USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 586 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 109 SER OG : rot 84:sc= 2.17 USER MOD Set 1.2: A 118 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 67 MET CE :methyl 137:sc= -0.105 (180deg=-1.06) USER MOD Set 2.2: A 112 TYR OH : rot -30:sc= -0.774 USER MOD Set 3.1: A 63 THR OG1 : rot -18:sc= 0.874 USER MOD Set 3.2: A 66 THR OG1 : rot -160:sc= 1.26 USER MOD Set 4.1: A 56 GLN : amide:sc= 0 X(o=-0.0062,f=-0.14) USER MOD Set 4.2: A 97 SER OG : rot 180:sc=-0.00621 USER MOD Set 5.1: A 55 TYR OH : rot 12:sc= 0.511 USER MOD Set 5.2: A 75 SER OG : rot 83:sc= 1.85 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -1:sc= 0.974 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 77 MET CE :methyl -108:sc= -1.81 (180deg=-4.94!) USER MOD Single : A 78 GLN : amide:sc= -0.168 K(o=-0.17,f=-0.77) USER MOD Single : A 80 SER OG : rot 180:sc= -2.08! USER MOD Single : A 81 TYR OH : rot -146:sc= -1.99! USER MOD Single : A 82 ASN : amide:sc=0.000225 X(o=0.00022,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0377 USER MOD Single : A 94 SER OG : rot 180:sc= 0.06 USER MOD Single : A 98 THR OG1 : rot 110:sc= 0.0568 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0703 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 95:sc= 1.24 USER MOD Single : A 115 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.063) USER MOD Single : A 120 SER OG : rot 180:sc=-0.00898 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -1.67 K(o=-1.7,f=-2.7!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 510 N TYR A 53 0.265 -11.687 -2.074 1.00 10.00 N ATOM 511 CA TYR A 53 0.300 -10.372 -2.693 1.00 10.00 C ATOM 512 C TYR A 53 1.695 -10.046 -3.204 1.00 10.00 C ATOM 513 O TYR A 53 2.690 -10.217 -2.493 1.00 10.00 O ATOM 514 CB TYR A 53 -0.158 -9.304 -1.700 1.00 10.00 C ATOM 515 CG TYR A 53 -0.333 -7.930 -2.314 1.00 10.00 C ATOM 516 CD1 TYR A 53 -1.072 -7.757 -3.478 1.00 10.00 C ATOM 517 CD2 TYR A 53 0.238 -6.810 -1.726 1.00 10.00 C ATOM 518 CE1 TYR A 53 -1.236 -6.506 -4.039 1.00 10.00 C ATOM 519 CE2 TYR A 53 0.074 -5.555 -2.280 1.00 10.00 C ATOM 520 CZ TYR A 53 -0.663 -5.409 -3.437 1.00 10.00 C ATOM 521 OH TYR A 53 -0.836 -4.158 -3.986 1.00 10.00 O ATOM 0 HA TYR A 53 -0.382 -10.382 -3.543 1.00 10.00 H new ATOM 0 HB2 TYR A 53 -1.103 -9.616 -1.256 1.00 10.00 H new ATOM 0 HB3 TYR A 53 0.569 -9.239 -0.890 1.00 10.00 H new ATOM 0 HD1 TYR A 53 -1.526 -8.615 -3.952 1.00 10.00 H new ATOM 0 HD2 TYR A 53 0.819 -6.921 -0.822 1.00 10.00 H new ATOM 0 HE1 TYR A 53 -1.811 -6.389 -4.946 1.00 10.00 H new ATOM 0 HE2 TYR A 53 0.521 -4.692 -1.809 1.00 10.00 H new ATOM 0 HH TYR A 53 -0.368 -3.493 -3.439 1.00 10.00 H new ATOM 531 N THR A 54 1.756 -9.579 -4.439 1.00 10.00 N ATOM 532 CA THR A 54 3.015 -9.221 -5.059 1.00 10.00 C ATOM 533 C THR A 54 3.283 -7.728 -4.908 1.00 10.00 C ATOM 534 O THR A 54 2.486 -6.897 -5.344 1.00 10.00 O ATOM 535 CB THR A 54 3.016 -9.586 -6.553 1.00 10.00 C ATOM 536 OG1 THR A 54 2.428 -10.881 -6.737 1.00 10.00 O ATOM 537 CG2 THR A 54 4.430 -9.581 -7.108 1.00 10.00 C ATOM 0 H THR A 54 0.940 -9.439 -5.034 1.00 10.00 H new ATOM 0 HA THR A 54 3.801 -9.783 -4.555 1.00 10.00 H new ATOM 0 HB THR A 54 2.430 -8.840 -7.091 1.00 10.00 H new ATOM 0 HG1 THR A 54 2.429 -11.108 -7.690 1.00 10.00 H new ATOM 0 HG21 THR A 54 4.407 -9.842 -8.166 1.00 10.00 H new ATOM 0 HG22 THR A 54 4.864 -8.588 -6.989 1.00 10.00 H new ATOM 0 HG23 THR A 54 5.035 -10.309 -6.568 1.00 10.00 H new ATOM 545 N TYR A 55 4.394 -7.393 -4.272 1.00 10.00 N ATOM 546 CA TYR A 55 4.771 -6.006 -4.078 1.00 10.00 C ATOM 547 C TYR A 55 5.448 -5.490 -5.333 1.00 10.00 C ATOM 548 O TYR A 55 6.537 -5.940 -5.697 1.00 10.00 O ATOM 549 CB TYR A 55 5.704 -5.862 -2.876 1.00 10.00 C ATOM 550 CG TYR A 55 5.101 -6.365 -1.590 1.00 10.00 C ATOM 551 CD1 TYR A 55 3.887 -5.872 -1.130 1.00 10.00 C ATOM 552 CD2 TYR A 55 5.745 -7.333 -0.837 1.00 10.00 C ATOM 553 CE1 TYR A 55 3.333 -6.330 0.045 1.00 10.00 C ATOM 554 CE2 TYR A 55 5.197 -7.799 0.338 1.00 10.00 C ATOM 555 CZ TYR A 55 3.991 -7.295 0.775 1.00 10.00 C ATOM 556 OH TYR A 55 3.441 -7.758 1.947 1.00 10.00 O ATOM 0 H TYR A 55 5.052 -8.067 -3.881 1.00 10.00 H new ATOM 0 HA TYR A 55 3.874 -5.419 -3.881 1.00 10.00 H new ATOM 0 HB2 TYR A 55 6.627 -6.407 -3.074 1.00 10.00 H new ATOM 0 HB3 TYR A 55 5.973 -4.812 -2.757 1.00 10.00 H new ATOM 0 HD1 TYR A 55 3.369 -5.117 -1.703 1.00 10.00 H new ATOM 0 HD2 TYR A 55 6.691 -7.728 -1.176 1.00 10.00 H new ATOM 0 HE1 TYR A 55 2.389 -5.935 0.391 1.00 10.00 H new ATOM 0 HE2 TYR A 55 5.710 -8.555 0.914 1.00 10.00 H new ATOM 0 HH TYR A 55 2.514 -7.449 2.018 1.00 10.00 H new ATOM 566 N GLN A 56 4.780 -4.572 -6.005 1.00 10.00 N ATOM 567 CA GLN A 56 5.288 -3.988 -7.234 1.00 10.00 C ATOM 568 C GLN A 56 4.723 -2.590 -7.423 1.00 10.00 C ATOM 569 O GLN A 56 3.706 -2.238 -6.819 1.00 10.00 O ATOM 570 CB GLN A 56 4.901 -4.862 -8.427 1.00 10.00 C ATOM 571 CG GLN A 56 3.467 -5.366 -8.364 1.00 10.00 C ATOM 572 CD GLN A 56 2.965 -5.894 -9.690 1.00 10.00 C ATOM 573 OE1 GLN A 56 3.729 -6.410 -10.509 1.00 10.00 O ATOM 574 NE2 GLN A 56 1.670 -5.765 -9.908 1.00 10.00 N ATOM 0 H GLN A 56 3.871 -4.210 -5.716 1.00 10.00 H new ATOM 0 HA GLN A 56 6.374 -3.928 -7.169 1.00 10.00 H new ATOM 0 HB2 GLN A 56 5.038 -4.292 -9.346 1.00 10.00 H new ATOM 0 HB3 GLN A 56 5.577 -5.716 -8.478 1.00 10.00 H new ATOM 0 HG2 GLN A 56 3.398 -6.156 -7.616 1.00 10.00 H new ATOM 0 HG3 GLN A 56 2.818 -4.556 -8.033 1.00 10.00 H new ATOM 0 HE21 GLN A 56 1.075 -5.332 -9.202 1.00 10.00 H new ATOM 0 HE22 GLN A 56 1.264 -6.099 -10.782 1.00 10.00 H new ATOM 583 N ALA A 57 5.383 -1.797 -8.251 1.00 10.00 N ATOM 584 CA ALA A 57 4.925 -0.450 -8.524 1.00 10.00 C ATOM 585 C ALA A 57 3.733 -0.494 -9.475 1.00 10.00 C ATOM 586 O ALA A 57 3.727 -1.263 -10.441 1.00 10.00 O ATOM 587 CB ALA A 57 6.053 0.392 -9.101 1.00 10.00 C ATOM 0 H ALA A 57 6.235 -2.064 -8.743 1.00 10.00 H new ATOM 0 HA ALA A 57 4.608 0.015 -7.590 1.00 10.00 H new ATOM 0 HB1 ALA A 57 5.690 1.400 -9.299 1.00 10.00 H new ATOM 0 HB2 ALA A 57 6.875 0.437 -8.387 1.00 10.00 H new ATOM 0 HB3 ALA A 57 6.403 -0.057 -10.030 1.00 10.00 H new ATOM 593 N THR A 58 2.730 0.318 -9.199 1.00 10.00 N ATOM 594 CA THR A 58 1.524 0.352 -10.008 1.00 10.00 C ATOM 595 C THR A 58 1.293 1.757 -10.562 1.00 10.00 C ATOM 596 O THR A 58 1.882 2.714 -10.083 1.00 10.00 O ATOM 597 CB THR A 58 0.301 -0.080 -9.169 1.00 10.00 C ATOM 598 OG1 THR A 58 0.219 0.712 -7.974 1.00 10.00 O ATOM 599 CG2 THR A 58 0.386 -1.554 -8.797 1.00 10.00 C ATOM 0 H THR A 58 2.726 0.969 -8.414 1.00 10.00 H new ATOM 0 HA THR A 58 1.651 -0.342 -10.839 1.00 10.00 H new ATOM 0 HB THR A 58 -0.593 0.075 -9.773 1.00 10.00 H new ATOM 0 HG1 THR A 58 0.971 1.340 -7.946 1.00 10.00 H new ATOM 0 HG21 THR A 58 -0.487 -1.831 -8.207 1.00 10.00 H new ATOM 0 HG22 THR A 58 0.417 -2.157 -9.704 1.00 10.00 H new ATOM 0 HG23 THR A 58 1.289 -1.730 -8.213 1.00 10.00 H new ATOM 607 N PRO A 59 0.450 1.919 -11.583 1.00 10.00 N ATOM 608 CA PRO A 59 0.173 3.242 -12.141 1.00 10.00 C ATOM 609 C PRO A 59 -0.833 4.026 -11.295 1.00 10.00 C ATOM 610 O PRO A 59 -1.327 5.071 -11.718 1.00 10.00 O ATOM 611 CB PRO A 59 -0.417 2.919 -13.512 1.00 10.00 C ATOM 612 CG PRO A 59 -1.081 1.596 -13.333 1.00 10.00 C ATOM 613 CD PRO A 59 -0.270 0.850 -12.303 1.00 10.00 C ATOM 0 HA PRO A 59 1.062 3.871 -12.179 1.00 10.00 H new ATOM 0 HB2 PRO A 59 -1.130 3.681 -13.826 1.00 10.00 H new ATOM 0 HB3 PRO A 59 0.358 2.873 -14.277 1.00 10.00 H new ATOM 0 HG2 PRO A 59 -2.112 1.720 -13.001 1.00 10.00 H new ATOM 0 HG3 PRO A 59 -1.114 1.047 -14.274 1.00 10.00 H new ATOM 0 HD2 PRO A 59 -0.907 0.274 -11.632 1.00 10.00 H new ATOM 0 HD3 PRO A 59 0.420 0.146 -12.769 1.00 10.00 H new ATOM 621 N MET A 60 -1.140 3.516 -10.102 1.00 10.00 N ATOM 622 CA MET A 60 -2.106 4.166 -9.223 1.00 10.00 C ATOM 623 C MET A 60 -1.484 4.737 -7.950 1.00 10.00 C ATOM 624 O MET A 60 -2.136 5.498 -7.236 1.00 10.00 O ATOM 625 CB MET A 60 -3.215 3.185 -8.854 1.00 10.00 C ATOM 626 CG MET A 60 -4.017 2.697 -10.050 1.00 10.00 C ATOM 627 SD MET A 60 -5.159 3.940 -10.682 1.00 10.00 S ATOM 628 CE MET A 60 -5.824 3.080 -12.108 1.00 10.00 C ATOM 0 H MET A 60 -0.735 2.659 -9.726 1.00 10.00 H new ATOM 0 HA MET A 60 -2.511 5.010 -9.781 1.00 10.00 H new ATOM 0 HB2 MET A 60 -2.775 2.326 -8.347 1.00 10.00 H new ATOM 0 HB3 MET A 60 -3.890 3.663 -8.144 1.00 10.00 H new ATOM 0 HG2 MET A 60 -3.332 2.403 -10.845 1.00 10.00 H new ATOM 0 HG3 MET A 60 -4.578 1.806 -9.766 1.00 10.00 H new ATOM 0 HE1 MET A 60 -6.550 3.718 -12.612 1.00 10.00 H new ATOM 0 HE2 MET A 60 -5.015 2.838 -12.797 1.00 10.00 H new ATOM 0 HE3 MET A 60 -6.312 2.161 -11.784 1.00 10.00 H new ATOM 638 N ASP A 61 -0.245 4.376 -7.646 1.00 10.00 N ATOM 639 CA ASP A 61 0.400 4.891 -6.435 1.00 10.00 C ATOM 640 C ASP A 61 0.740 6.367 -6.597 1.00 10.00 C ATOM 641 O ASP A 61 0.162 7.229 -5.934 1.00 10.00 O ATOM 642 CB ASP A 61 1.674 4.106 -6.073 1.00 10.00 C ATOM 643 CG ASP A 61 2.395 3.535 -7.273 1.00 10.00 C ATOM 644 OD1 ASP A 61 2.961 4.324 -8.062 1.00 10.00 O ATOM 645 OD2 ASP A 61 2.390 2.294 -7.434 1.00 10.00 O ATOM 0 H ASP A 61 0.328 3.743 -8.204 1.00 10.00 H new ATOM 0 HA ASP A 61 -0.313 4.765 -5.620 1.00 10.00 H new ATOM 0 HB2 ASP A 61 2.354 4.763 -5.530 1.00 10.00 H new ATOM 0 HB3 ASP A 61 1.410 3.292 -5.397 1.00 10.00 H new ATOM 650 N GLY A 62 1.654 6.651 -7.503 1.00 10.00 N ATOM 651 CA GLY A 62 2.070 8.014 -7.738 1.00 10.00 C ATOM 652 C GLY A 62 3.474 8.267 -7.231 1.00 10.00 C ATOM 653 O GLY A 62 4.379 8.559 -8.014 1.00 10.00 O ATOM 0 H GLY A 62 2.120 5.956 -8.086 1.00 10.00 H new ATOM 0 HA2 GLY A 62 2.024 8.229 -8.806 1.00 10.00 H new ATOM 0 HA3 GLY A 62 1.377 8.696 -7.245 1.00 10.00 H new ATOM 657 N THR A 63 3.663 8.151 -5.923 1.00 10.00 N ATOM 658 CA THR A 63 4.974 8.370 -5.323 1.00 10.00 C ATOM 659 C THR A 63 5.360 7.205 -4.421 1.00 10.00 C ATOM 660 O THR A 63 4.573 6.279 -4.217 1.00 10.00 O ATOM 661 CB THR A 63 5.028 9.682 -4.508 1.00 10.00 C ATOM 662 OG1 THR A 63 4.077 9.642 -3.437 1.00 10.00 O ATOM 663 CG2 THR A 63 4.745 10.885 -5.394 1.00 10.00 C ATOM 0 H THR A 63 2.928 7.907 -5.259 1.00 10.00 H new ATOM 0 HA THR A 63 5.684 8.447 -6.146 1.00 10.00 H new ATOM 0 HB THR A 63 6.033 9.779 -4.096 1.00 10.00 H new ATOM 0 HG1 THR A 63 3.409 8.948 -3.618 1.00 10.00 H new ATOM 0 HG21 THR A 63 4.789 11.795 -4.796 1.00 10.00 H new ATOM 0 HG22 THR A 63 5.490 10.936 -6.188 1.00 10.00 H new ATOM 0 HG23 THR A 63 3.753 10.787 -5.834 1.00 10.00 H new ATOM 671 N LEU A 64 6.577 7.259 -3.893 1.00 10.00 N ATOM 672 CA LEU A 64 7.088 6.219 -3.012 1.00 10.00 C ATOM 673 C LEU A 64 6.196 6.034 -1.788 1.00 10.00 C ATOM 674 O LEU A 64 5.921 4.906 -1.380 1.00 10.00 O ATOM 675 CB LEU A 64 8.515 6.566 -2.571 1.00 10.00 C ATOM 676 CG LEU A 64 9.121 5.634 -1.519 1.00 10.00 C ATOM 677 CD1 LEU A 64 9.167 4.205 -2.036 1.00 10.00 C ATOM 678 CD2 LEU A 64 10.510 6.112 -1.119 1.00 10.00 C ATOM 0 H LEU A 64 7.233 8.021 -4.063 1.00 10.00 H new ATOM 0 HA LEU A 64 7.094 5.281 -3.567 1.00 10.00 H new ATOM 0 HB2 LEU A 64 9.160 6.563 -3.450 1.00 10.00 H new ATOM 0 HB3 LEU A 64 8.519 7.582 -2.177 1.00 10.00 H new ATOM 0 HG LEU A 64 8.487 5.654 -0.632 1.00 10.00 H new ATOM 0 HD11 LEU A 64 9.601 3.556 -1.275 1.00 10.00 H new ATOM 0 HD12 LEU A 64 8.156 3.869 -2.266 1.00 10.00 H new ATOM 0 HD13 LEU A 64 9.777 4.164 -2.938 1.00 10.00 H new ATOM 0 HD21 LEU A 64 10.925 5.437 -0.370 1.00 10.00 H new ATOM 0 HD22 LEU A 64 11.157 6.124 -1.996 1.00 10.00 H new ATOM 0 HD23 LEU A 64 10.443 7.118 -0.704 1.00 10.00 H new ATOM 690 N LYS A 65 5.740 7.145 -1.216 1.00 10.00 N ATOM 691 CA LYS A 65 4.888 7.095 -0.034 1.00 10.00 C ATOM 692 C LYS A 65 3.604 6.326 -0.325 1.00 10.00 C ATOM 693 O LYS A 65 3.249 5.401 0.401 1.00 10.00 O ATOM 694 CB LYS A 65 4.554 8.506 0.457 1.00 10.00 C ATOM 695 CG LYS A 65 3.932 8.525 1.847 1.00 10.00 C ATOM 696 CD LYS A 65 3.283 9.865 2.164 1.00 10.00 C ATOM 697 CE LYS A 65 4.313 10.972 2.331 1.00 10.00 C ATOM 698 NZ LYS A 65 3.675 12.264 2.693 1.00 10.00 N ATOM 0 H LYS A 65 5.946 8.086 -1.551 1.00 10.00 H new ATOM 0 HA LYS A 65 5.437 6.574 0.751 1.00 10.00 H new ATOM 0 HB2 LYS A 65 5.464 9.106 0.465 1.00 10.00 H new ATOM 0 HB3 LYS A 65 3.868 8.976 -0.248 1.00 10.00 H new ATOM 0 HG2 LYS A 65 3.185 7.734 1.921 1.00 10.00 H new ATOM 0 HG3 LYS A 65 4.699 8.309 2.590 1.00 10.00 H new ATOM 0 HD2 LYS A 65 2.591 10.131 1.365 1.00 10.00 H new ATOM 0 HD3 LYS A 65 2.695 9.776 3.078 1.00 10.00 H new ATOM 0 HE2 LYS A 65 5.029 10.690 3.103 1.00 10.00 H new ATOM 0 HE3 LYS A 65 4.874 11.090 1.404 1.00 10.00 H new ATOM 0 HZ1 LYS A 65 4.407 12.995 2.799 1.00 10.00 H new ATOM 0 HZ2 LYS A 65 3.011 12.545 1.944 1.00 10.00 H new ATOM 0 HZ3 LYS A 65 3.160 12.158 3.590 1.00 10.00 H new ATOM 712 N THR A 66 2.925 6.699 -1.401 1.00 10.00 N ATOM 713 CA THR A 66 1.684 6.049 -1.788 1.00 10.00 C ATOM 714 C THR A 66 1.906 4.572 -2.102 1.00 10.00 C ATOM 715 O THR A 66 1.105 3.719 -1.719 1.00 10.00 O ATOM 716 CB THR A 66 1.075 6.739 -3.018 1.00 10.00 C ATOM 717 OG1 THR A 66 1.923 7.815 -3.436 1.00 10.00 O ATOM 718 CG2 THR A 66 -0.313 7.278 -2.711 1.00 10.00 C ATOM 0 H THR A 66 3.216 7.453 -2.023 1.00 10.00 H new ATOM 0 HA THR A 66 0.998 6.130 -0.945 1.00 10.00 H new ATOM 0 HB THR A 66 0.990 6.002 -3.816 1.00 10.00 H new ATOM 0 HG1 THR A 66 1.410 8.439 -3.991 1.00 10.00 H new ATOM 0 HG21 THR A 66 -0.720 7.761 -3.599 1.00 10.00 H new ATOM 0 HG22 THR A 66 -0.965 6.456 -2.414 1.00 10.00 H new ATOM 0 HG23 THR A 66 -0.250 8.003 -1.900 1.00 10.00 H new ATOM 726 N MET A 67 3.004 4.278 -2.793 1.00 10.00 N ATOM 727 CA MET A 67 3.336 2.906 -3.161 1.00 10.00 C ATOM 728 C MET A 67 3.530 2.045 -1.918 1.00 10.00 C ATOM 729 O MET A 67 2.920 0.983 -1.787 1.00 10.00 O ATOM 730 CB MET A 67 4.597 2.875 -4.026 1.00 10.00 C ATOM 731 CG MET A 67 4.799 1.561 -4.760 1.00 10.00 C ATOM 732 SD MET A 67 6.380 1.488 -5.625 1.00 10.00 S ATOM 733 CE MET A 67 7.521 1.467 -4.244 1.00 10.00 C ATOM 0 H MET A 67 3.680 4.973 -3.110 1.00 10.00 H new ATOM 0 HA MET A 67 2.505 2.498 -3.737 1.00 10.00 H new ATOM 0 HB2 MET A 67 4.548 3.684 -4.754 1.00 10.00 H new ATOM 0 HB3 MET A 67 5.465 3.066 -3.395 1.00 10.00 H new ATOM 0 HG2 MET A 67 4.740 0.738 -4.048 1.00 10.00 H new ATOM 0 HG3 MET A 67 3.990 1.421 -5.477 1.00 10.00 H new ATOM 0 HE1 MET A 67 8.305 0.733 -4.431 1.00 10.00 H new ATOM 0 HE2 MET A 67 7.968 2.454 -4.126 1.00 10.00 H new ATOM 0 HE3 MET A 67 6.985 1.201 -3.333 1.00 10.00 H new ATOM 743 N LEU A 68 4.357 2.524 -0.995 1.00 10.00 N ATOM 744 CA LEU A 68 4.629 1.797 0.238 1.00 10.00 C ATOM 745 C LEU A 68 3.364 1.663 1.077 1.00 10.00 C ATOM 746 O LEU A 68 3.097 0.602 1.643 1.00 10.00 O ATOM 747 CB LEU A 68 5.721 2.499 1.046 1.00 10.00 C ATOM 748 CG LEU A 68 7.113 2.491 0.413 1.00 10.00 C ATOM 749 CD1 LEU A 68 8.083 3.300 1.259 1.00 10.00 C ATOM 750 CD2 LEU A 68 7.615 1.064 0.241 1.00 10.00 C ATOM 0 H LEU A 68 4.850 3.413 -1.078 1.00 10.00 H new ATOM 0 HA LEU A 68 4.976 0.799 -0.029 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.420 3.534 1.209 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.784 2.027 2.027 1.00 10.00 H new ATOM 0 HG LEU A 68 7.047 2.951 -0.573 1.00 10.00 H new ATOM 0 HD11 LEU A 68 9.070 3.285 0.796 1.00 10.00 H new ATOM 0 HD12 LEU A 68 7.732 4.329 1.331 1.00 10.00 H new ATOM 0 HD13 LEU A 68 8.144 2.866 2.257 1.00 10.00 H new ATOM 0 HD21 LEU A 68 8.607 1.079 -0.211 1.00 10.00 H new ATOM 0 HD22 LEU A 68 7.667 0.577 1.215 1.00 10.00 H new ATOM 0 HD23 LEU A 68 6.931 0.513 -0.404 1.00 10.00 H new ATOM 762 N GLU A 69 2.583 2.737 1.141 1.00 10.00 N ATOM 763 CA GLU A 69 1.341 2.729 1.900 1.00 10.00 C ATOM 764 C GLU A 69 0.393 1.665 1.362 1.00 10.00 C ATOM 765 O GLU A 69 -0.245 0.951 2.132 1.00 10.00 O ATOM 766 CB GLU A 69 0.658 4.098 1.852 1.00 10.00 C ATOM 767 CG GLU A 69 1.144 5.067 2.918 1.00 10.00 C ATOM 768 CD GLU A 69 0.306 6.327 2.986 1.00 10.00 C ATOM 769 OE1 GLU A 69 -0.937 6.220 2.970 1.00 10.00 O ATOM 770 OE2 GLU A 69 0.884 7.432 3.056 1.00 10.00 O ATOM 0 H GLU A 69 2.789 3.621 0.677 1.00 10.00 H new ATOM 0 HA GLU A 69 1.587 2.499 2.937 1.00 10.00 H new ATOM 0 HB2 GLU A 69 0.823 4.541 0.870 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -0.418 3.961 1.963 1.00 10.00 H new ATOM 0 HG2 GLU A 69 1.128 4.571 3.889 1.00 10.00 H new ATOM 0 HG3 GLU A 69 2.181 5.335 2.714 1.00 10.00 H new ATOM 777 N ARG A 70 0.324 1.557 0.038 1.00 10.00 N ATOM 778 CA ARG A 70 -0.539 0.582 -0.615 1.00 10.00 C ATOM 779 C ARG A 70 -0.069 -0.838 -0.307 1.00 10.00 C ATOM 780 O ARG A 70 -0.877 -1.714 0.005 1.00 10.00 O ATOM 781 CB ARG A 70 -0.551 0.826 -2.123 1.00 10.00 C ATOM 782 CG ARG A 70 -1.631 0.062 -2.865 1.00 10.00 C ATOM 783 CD ARG A 70 -1.856 0.640 -4.252 1.00 10.00 C ATOM 784 NE ARG A 70 -2.421 1.990 -4.196 1.00 10.00 N ATOM 785 CZ ARG A 70 -3.459 2.400 -4.927 1.00 10.00 C ATOM 786 NH1 ARG A 70 -4.058 1.569 -5.773 1.00 10.00 N ATOM 787 NH2 ARG A 70 -3.896 3.645 -4.810 1.00 10.00 N ATOM 0 H ARG A 70 0.860 2.138 -0.606 1.00 10.00 H new ATOM 0 HA ARG A 70 -1.553 0.697 -0.232 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -0.684 1.892 -2.307 1.00 10.00 H new ATOM 0 HB3 ARG A 70 0.421 0.550 -2.533 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -1.348 -0.987 -2.947 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -2.561 0.098 -2.298 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -0.910 0.665 -4.793 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -2.527 -0.011 -4.812 1.00 10.00 H new ATOM 0 HE ARG A 70 -1.993 2.660 -3.557 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -3.725 0.610 -5.867 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -4.851 1.890 -6.328 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -3.439 4.287 -4.162 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -4.689 3.962 -5.367 1.00 10.00 H new ATOM 801 N TRP A 71 1.243 -1.050 -0.397 1.00 10.00 N ATOM 802 CA TRP A 71 1.834 -2.356 -0.115 1.00 10.00 C ATOM 803 C TRP A 71 1.502 -2.784 1.307 1.00 10.00 C ATOM 804 O TRP A 71 1.063 -3.912 1.555 1.00 10.00 O ATOM 805 CB TRP A 71 3.358 -2.306 -0.272 1.00 10.00 C ATOM 806 CG TRP A 71 3.836 -2.197 -1.689 1.00 10.00 C ATOM 807 CD1 TRP A 71 3.078 -2.062 -2.816 1.00 10.00 C ATOM 808 CD2 TRP A 71 5.199 -2.217 -2.123 1.00 10.00 C ATOM 809 NE1 TRP A 71 3.889 -1.994 -3.924 1.00 10.00 N ATOM 810 CE2 TRP A 71 5.195 -2.088 -3.523 1.00 10.00 C ATOM 811 CE3 TRP A 71 6.423 -2.331 -1.460 1.00 10.00 C ATOM 812 CZ2 TRP A 71 6.369 -2.070 -4.272 1.00 10.00 C ATOM 813 CZ3 TRP A 71 7.585 -2.314 -2.205 1.00 10.00 C ATOM 814 CH2 TRP A 71 7.552 -2.183 -3.598 1.00 10.00 C ATOM 0 H TRP A 71 1.917 -0.333 -0.663 1.00 10.00 H new ATOM 0 HA TRP A 71 1.421 -3.073 -0.825 1.00 10.00 H new ATOM 0 HB2 TRP A 71 3.741 -1.456 0.293 1.00 10.00 H new ATOM 0 HB3 TRP A 71 3.786 -3.204 0.174 1.00 10.00 H new ATOM 0 HD1 TRP A 71 1.999 -2.015 -2.835 1.00 10.00 H new ATOM 0 HE1 TRP A 71 3.570 -1.890 -4.887 1.00 10.00 H new ATOM 0 HE3 TRP A 71 6.460 -2.431 -0.385 1.00 10.00 H new ATOM 0 HZ2 TRP A 71 6.345 -1.970 -5.347 1.00 10.00 H new ATOM 0 HZ3 TRP A 71 8.537 -2.403 -1.704 1.00 10.00 H new ATOM 0 HH2 TRP A 71 8.480 -2.171 -4.151 1.00 10.00 H new ATOM 825 N ALA A 72 1.716 -1.863 2.236 1.00 10.00 N ATOM 826 CA ALA A 72 1.450 -2.107 3.640 1.00 10.00 C ATOM 827 C ALA A 72 -0.041 -2.301 3.899 1.00 10.00 C ATOM 828 O ALA A 72 -0.430 -3.241 4.578 1.00 10.00 O ATOM 829 CB ALA A 72 1.994 -0.961 4.484 1.00 10.00 C ATOM 0 H ALA A 72 2.077 -0.931 2.035 1.00 10.00 H new ATOM 0 HA ALA A 72 1.957 -3.029 3.924 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.789 -1.155 5.537 1.00 10.00 H new ATOM 0 HB2 ALA A 72 3.070 -0.878 4.334 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.513 -0.029 4.186 1.00 10.00 H new ATOM 835 N ALA A 73 -0.868 -1.430 3.331 1.00 10.00 N ATOM 836 CA ALA A 73 -2.318 -1.496 3.524 1.00 10.00 C ATOM 837 C ALA A 73 -2.899 -2.847 3.108 1.00 10.00 C ATOM 838 O ALA A 73 -3.706 -3.431 3.835 1.00 10.00 O ATOM 839 CB ALA A 73 -3.004 -0.375 2.763 1.00 10.00 C ATOM 0 H ALA A 73 -0.560 -0.666 2.730 1.00 10.00 H new ATOM 0 HA ALA A 73 -2.505 -1.377 4.591 1.00 10.00 H new ATOM 0 HB1 ALA A 73 -4.081 -0.437 2.916 1.00 10.00 H new ATOM 0 HB2 ALA A 73 -2.641 0.587 3.126 1.00 10.00 H new ATOM 0 HB3 ALA A 73 -2.783 -0.468 1.700 1.00 10.00 H new ATOM 845 N ASP A 74 -2.481 -3.347 1.950 1.00 10.00 N ATOM 846 CA ASP A 74 -2.980 -4.628 1.452 1.00 10.00 C ATOM 847 C ASP A 74 -2.570 -5.768 2.381 1.00 10.00 C ATOM 848 O ASP A 74 -3.307 -6.741 2.561 1.00 10.00 O ATOM 849 CB ASP A 74 -2.458 -4.898 0.038 1.00 10.00 C ATOM 850 CG ASP A 74 -3.172 -6.059 -0.638 1.00 10.00 C ATOM 851 OD1 ASP A 74 -2.881 -7.226 -0.301 1.00 10.00 O ATOM 852 OD2 ASP A 74 -4.029 -5.806 -1.516 1.00 10.00 O ATOM 0 H ASP A 74 -1.803 -2.890 1.341 1.00 10.00 H new ATOM 0 HA ASP A 74 -4.068 -4.574 1.423 1.00 10.00 H new ATOM 0 HB2 ASP A 74 -2.579 -4.000 -0.568 1.00 10.00 H new ATOM 0 HB3 ASP A 74 -1.390 -5.110 0.083 1.00 10.00 H new ATOM 857 N SER A 75 -1.411 -5.620 3.002 1.00 10.00 N ATOM 858 CA SER A 75 -0.888 -6.642 3.895 1.00 10.00 C ATOM 859 C SER A 75 -1.172 -6.318 5.362 1.00 10.00 C ATOM 860 O SER A 75 -0.621 -6.958 6.260 1.00 10.00 O ATOM 861 CB SER A 75 0.614 -6.789 3.665 1.00 10.00 C ATOM 862 OG SER A 75 0.920 -6.703 2.279 1.00 10.00 O ATOM 0 H SER A 75 -0.813 -4.800 2.904 1.00 10.00 H new ATOM 0 HA SER A 75 -1.392 -7.582 3.671 1.00 10.00 H new ATOM 0 HB2 SER A 75 1.148 -6.011 4.210 1.00 10.00 H new ATOM 0 HB3 SER A 75 0.956 -7.746 4.059 1.00 10.00 H new ATOM 0 HG SER A 75 0.987 -5.761 2.017 1.00 10.00 H new ATOM 868 N ASN A 76 -2.039 -5.329 5.593 1.00 10.00 N ATOM 869 CA ASN A 76 -2.413 -4.907 6.948 1.00 10.00 C ATOM 870 C ASN A 76 -1.181 -4.522 7.767 1.00 10.00 C ATOM 871 O ASN A 76 -1.053 -4.879 8.938 1.00 10.00 O ATOM 872 CB ASN A 76 -3.195 -6.014 7.664 1.00 10.00 C ATOM 873 CG ASN A 76 -4.530 -6.301 7.002 1.00 10.00 C ATOM 874 OD1 ASN A 76 -5.128 -5.426 6.377 1.00 10.00 O ATOM 875 ND2 ASN A 76 -5.003 -7.529 7.128 1.00 10.00 N ATOM 0 H ASN A 76 -2.500 -4.800 4.852 1.00 10.00 H new ATOM 0 HA ASN A 76 -3.051 -4.028 6.856 1.00 10.00 H new ATOM 0 HB2 ASN A 76 -2.597 -6.925 7.680 1.00 10.00 H new ATOM 0 HB3 ASN A 76 -3.362 -5.724 8.701 1.00 10.00 H new ATOM 0 HD21 ASN A 76 -5.894 -7.779 6.699 1.00 10.00 H new ATOM 0 HD22 ASN A 76 -4.477 -8.227 7.654 1.00 10.00 H new ATOM 882 N MET A 77 -0.282 -3.785 7.131 1.00 10.00 N ATOM 883 CA MET A 77 0.957 -3.340 7.764 1.00 10.00 C ATOM 884 C MET A 77 1.003 -1.820 7.849 1.00 10.00 C ATOM 885 O MET A 77 0.130 -1.131 7.316 1.00 10.00 O ATOM 886 CB MET A 77 2.171 -3.855 6.984 1.00 10.00 C ATOM 887 CG MET A 77 2.286 -5.367 6.963 1.00 10.00 C ATOM 888 SD MET A 77 3.449 -5.965 5.726 1.00 10.00 S ATOM 889 CE MET A 77 4.939 -5.101 6.215 1.00 10.00 C ATOM 0 H MET A 77 -0.388 -3.478 6.164 1.00 10.00 H new ATOM 0 HA MET A 77 0.986 -3.747 8.775 1.00 10.00 H new ATOM 0 HB2 MET A 77 2.115 -3.490 5.959 1.00 10.00 H new ATOM 0 HB3 MET A 77 3.077 -3.437 7.422 1.00 10.00 H new ATOM 0 HG2 MET A 77 2.599 -5.716 7.947 1.00 10.00 H new ATOM 0 HG3 MET A 77 1.304 -5.798 6.769 1.00 10.00 H new ATOM 0 HE1 MET A 77 5.160 -4.318 5.490 1.00 10.00 H new ATOM 0 HE2 MET A 77 4.794 -4.655 7.199 1.00 10.00 H new ATOM 0 HE3 MET A 77 5.771 -5.804 6.254 1.00 10.00 H new ATOM 899 N GLN A 78 2.022 -1.301 8.518 1.00 10.00 N ATOM 900 CA GLN A 78 2.175 0.138 8.676 1.00 10.00 C ATOM 901 C GLN A 78 3.418 0.652 7.956 1.00 10.00 C ATOM 902 O GLN A 78 4.282 -0.129 7.550 1.00 10.00 O ATOM 903 CB GLN A 78 2.245 0.498 10.158 1.00 10.00 C ATOM 904 CG GLN A 78 0.905 0.403 10.861 1.00 10.00 C ATOM 905 CD GLN A 78 -0.115 1.382 10.303 1.00 10.00 C ATOM 906 OE1 GLN A 78 0.234 2.461 9.820 1.00 10.00 O ATOM 907 NE2 GLN A 78 -1.383 1.015 10.367 1.00 10.00 N ATOM 0 H GLN A 78 2.755 -1.855 8.960 1.00 10.00 H new ATOM 0 HA GLN A 78 1.305 0.617 8.227 1.00 10.00 H new ATOM 0 HB2 GLN A 78 2.955 -0.165 10.653 1.00 10.00 H new ATOM 0 HB3 GLN A 78 2.631 1.512 10.261 1.00 10.00 H new ATOM 0 HG2 GLN A 78 0.519 -0.612 10.766 1.00 10.00 H new ATOM 0 HG3 GLN A 78 1.042 0.593 11.925 1.00 10.00 H new ATOM 0 HE21 GLN A 78 -1.633 0.114 10.774 1.00 10.00 H new ATOM 0 HE22 GLN A 78 -2.111 1.633 10.009 1.00 10.00 H new ATOM 916 N LEU A 79 3.503 1.968 7.808 1.00 10.00 N ATOM 917 CA LEU A 79 4.630 2.604 7.137 1.00 10.00 C ATOM 918 C LEU A 79 5.095 3.831 7.901 1.00 10.00 C ATOM 919 O LEU A 79 4.285 4.613 8.400 1.00 10.00 O ATOM 920 CB LEU A 79 4.246 2.998 5.707 1.00 10.00 C ATOM 921 CG LEU A 79 5.209 3.968 5.015 1.00 10.00 C ATOM 922 CD1 LEU A 79 6.485 3.249 4.607 1.00 10.00 C ATOM 923 CD2 LEU A 79 4.546 4.617 3.809 1.00 10.00 C ATOM 0 H LEU A 79 2.797 2.621 8.147 1.00 10.00 H new ATOM 0 HA LEU A 79 5.449 1.886 7.103 1.00 10.00 H new ATOM 0 HB2 LEU A 79 4.174 2.092 5.105 1.00 10.00 H new ATOM 0 HB3 LEU A 79 3.254 3.448 5.726 1.00 10.00 H new ATOM 0 HG LEU A 79 5.470 4.756 5.721 1.00 10.00 H new ATOM 0 HD11 LEU A 79 7.158 3.952 4.117 1.00 10.00 H new ATOM 0 HD12 LEU A 79 6.971 2.839 5.493 1.00 10.00 H new ATOM 0 HD13 LEU A 79 6.242 2.439 3.919 1.00 10.00 H new ATOM 0 HD21 LEU A 79 5.248 5.302 3.333 1.00 10.00 H new ATOM 0 HD22 LEU A 79 4.252 3.846 3.097 1.00 10.00 H new ATOM 0 HD23 LEU A 79 3.663 5.169 4.132 1.00 10.00 H new ATOM 935 N SER A 80 6.402 3.982 7.986 1.00 10.00 N ATOM 936 CA SER A 80 7.006 5.104 8.670 1.00 10.00 C ATOM 937 C SER A 80 7.904 5.896 7.712 1.00 10.00 C ATOM 938 O SER A 80 9.060 5.536 7.472 1.00 10.00 O ATOM 939 CB SER A 80 7.801 4.591 9.869 1.00 10.00 C ATOM 940 OG SER A 80 6.939 4.158 10.908 1.00 10.00 O ATOM 0 H SER A 80 7.074 3.329 7.582 1.00 10.00 H new ATOM 0 HA SER A 80 6.226 5.778 9.024 1.00 10.00 H new ATOM 0 HB2 SER A 80 8.442 3.767 9.558 1.00 10.00 H new ATOM 0 HB3 SER A 80 8.454 5.381 10.240 1.00 10.00 H new ATOM 0 HG SER A 80 7.473 3.833 11.662 1.00 10.00 H new ATOM 946 N TYR A 81 7.349 6.968 7.156 1.00 10.00 N ATOM 947 CA TYR A 81 8.063 7.827 6.217 1.00 10.00 C ATOM 948 C TYR A 81 8.790 8.936 6.972 1.00 10.00 C ATOM 949 O TYR A 81 8.163 9.853 7.497 1.00 10.00 O ATOM 950 CB TYR A 81 7.066 8.426 5.219 1.00 10.00 C ATOM 951 CG TYR A 81 7.656 8.814 3.878 1.00 10.00 C ATOM 952 CD1 TYR A 81 8.034 7.847 2.953 1.00 10.00 C ATOM 953 CD2 TYR A 81 7.808 10.148 3.526 1.00 10.00 C ATOM 954 CE1 TYR A 81 8.550 8.202 1.719 1.00 10.00 C ATOM 955 CE2 TYR A 81 8.318 10.510 2.292 1.00 10.00 C ATOM 956 CZ TYR A 81 8.688 9.535 1.394 1.00 10.00 C ATOM 957 OH TYR A 81 9.193 9.893 0.161 1.00 10.00 O ATOM 0 H TYR A 81 6.392 7.266 7.343 1.00 10.00 H new ATOM 0 HA TYR A 81 8.802 7.238 5.674 1.00 10.00 H new ATOM 0 HB2 TYR A 81 6.265 7.706 5.052 1.00 10.00 H new ATOM 0 HB3 TYR A 81 6.612 9.309 5.668 1.00 10.00 H new ATOM 0 HD1 TYR A 81 7.923 6.802 3.202 1.00 10.00 H new ATOM 0 HD2 TYR A 81 7.523 10.917 4.228 1.00 10.00 H new ATOM 0 HE1 TYR A 81 8.843 7.439 1.014 1.00 10.00 H new ATOM 0 HE2 TYR A 81 8.425 11.553 2.034 1.00 10.00 H new ATOM 0 HH TYR A 81 9.718 10.716 0.249 1.00 10.00 H new ATOM 967 N ASN A 82 10.112 8.845 7.037 1.00 10.00 N ATOM 968 CA ASN A 82 10.906 9.845 7.748 1.00 10.00 C ATOM 969 C ASN A 82 11.601 10.797 6.784 1.00 10.00 C ATOM 970 O ASN A 82 12.491 11.553 7.172 1.00 10.00 O ATOM 971 CB ASN A 82 11.943 9.172 8.646 1.00 10.00 C ATOM 972 CG ASN A 82 11.318 8.507 9.853 1.00 10.00 C ATOM 973 OD1 ASN A 82 11.146 9.129 10.901 1.00 10.00 O ATOM 974 ND2 ASN A 82 10.977 7.234 9.717 1.00 10.00 N ATOM 0 H ASN A 82 10.656 8.095 6.610 1.00 10.00 H new ATOM 0 HA ASN A 82 10.219 10.425 8.365 1.00 10.00 H new ATOM 0 HB2 ASN A 82 12.491 8.428 8.068 1.00 10.00 H new ATOM 0 HB3 ASN A 82 12.668 9.915 8.979 1.00 10.00 H new ATOM 0 HD21 ASN A 82 10.555 6.733 10.499 1.00 10.00 H new ATOM 0 HD22 ASN A 82 11.137 6.755 8.831 1.00 10.00 H new ATOM 981 N LEU A 83 11.192 10.758 5.527 1.00 10.00 N ATOM 982 CA LEU A 83 11.778 11.623 4.514 1.00 10.00 C ATOM 983 C LEU A 83 11.048 12.962 4.493 1.00 10.00 C ATOM 984 O LEU A 83 9.837 13.010 4.718 1.00 10.00 O ATOM 985 CB LEU A 83 11.713 10.960 3.136 1.00 10.00 C ATOM 986 CG LEU A 83 12.249 9.528 3.073 1.00 10.00 C ATOM 987 CD1 LEU A 83 12.233 9.017 1.643 1.00 10.00 C ATOM 988 CD2 LEU A 83 13.655 9.450 3.644 1.00 10.00 C ATOM 0 H LEU A 83 10.458 10.139 5.183 1.00 10.00 H new ATOM 0 HA LEU A 83 12.826 11.793 4.761 1.00 10.00 H new ATOM 0 HB2 LEU A 83 10.676 10.957 2.801 1.00 10.00 H new ATOM 0 HB3 LEU A 83 12.274 11.572 2.430 1.00 10.00 H new ATOM 0 HG LEU A 83 11.598 8.896 3.678 1.00 10.00 H new ATOM 0 HD11 LEU A 83 12.617 7.997 1.617 1.00 10.00 H new ATOM 0 HD12 LEU A 83 11.211 9.030 1.264 1.00 10.00 H new ATOM 0 HD13 LEU A 83 12.859 9.657 1.021 1.00 10.00 H new ATOM 0 HD21 LEU A 83 14.014 8.422 3.588 1.00 10.00 H new ATOM 0 HD22 LEU A 83 14.317 10.098 3.070 1.00 10.00 H new ATOM 0 HD23 LEU A 83 13.644 9.774 4.685 1.00 10.00 H new ATOM 1000 N PRO A 84 11.775 14.062 4.231 1.00 10.00 N ATOM 1001 CA PRO A 84 11.195 15.412 4.196 1.00 10.00 C ATOM 1002 C PRO A 84 10.060 15.543 3.185 1.00 10.00 C ATOM 1003 O PRO A 84 8.994 16.078 3.495 1.00 10.00 O ATOM 1004 CB PRO A 84 12.375 16.307 3.789 1.00 10.00 C ATOM 1005 CG PRO A 84 13.398 15.380 3.225 1.00 10.00 C ATOM 1006 CD PRO A 84 13.220 14.084 3.958 1.00 10.00 C ATOM 0 HA PRO A 84 10.750 15.677 5.155 1.00 10.00 H new ATOM 0 HB2 PRO A 84 12.069 17.050 3.052 1.00 10.00 H new ATOM 0 HB3 PRO A 84 12.769 16.852 4.647 1.00 10.00 H new ATOM 0 HG2 PRO A 84 13.256 15.246 2.153 1.00 10.00 H new ATOM 0 HG3 PRO A 84 14.404 15.775 3.366 1.00 10.00 H new ATOM 0 HD2 PRO A 84 13.531 13.231 3.354 1.00 10.00 H new ATOM 0 HD3 PRO A 84 13.806 14.055 4.877 1.00 10.00 H new ATOM 1014 N SER A 85 10.285 15.041 1.983 1.00 10.00 N ATOM 1015 CA SER A 85 9.286 15.112 0.935 1.00 10.00 C ATOM 1016 C SER A 85 9.144 13.763 0.242 1.00 10.00 C ATOM 1017 O SER A 85 10.020 12.902 0.356 1.00 10.00 O ATOM 1018 CB SER A 85 9.669 16.194 -0.077 1.00 10.00 C ATOM 1019 OG SER A 85 10.043 17.392 0.588 1.00 10.00 O ATOM 0 H SER A 85 11.153 14.579 1.710 1.00 10.00 H new ATOM 0 HA SER A 85 8.326 15.370 1.381 1.00 10.00 H new ATOM 0 HB2 SER A 85 10.494 15.843 -0.697 1.00 10.00 H new ATOM 0 HB3 SER A 85 8.829 16.389 -0.744 1.00 10.00 H new ATOM 0 HG SER A 85 10.286 18.072 -0.075 1.00 10.00 H new ATOM 1025 N ASP A 86 8.032 13.578 -0.453 1.00 10.00 N ATOM 1026 CA ASP A 86 7.781 12.341 -1.175 1.00 10.00 C ATOM 1027 C ASP A 86 8.570 12.330 -2.473 1.00 10.00 C ATOM 1028 O ASP A 86 8.822 13.379 -3.068 1.00 10.00 O ATOM 1029 CB ASP A 86 6.283 12.164 -1.469 1.00 10.00 C ATOM 1030 CG ASP A 86 5.668 13.363 -2.166 1.00 10.00 C ATOM 1031 OD1 ASP A 86 5.793 13.476 -3.404 1.00 10.00 O ATOM 1032 OD2 ASP A 86 5.053 14.203 -1.471 1.00 10.00 O ATOM 0 H ASP A 86 7.288 14.271 -0.532 1.00 10.00 H new ATOM 0 HA ASP A 86 8.104 11.510 -0.548 1.00 10.00 H new ATOM 0 HB2 ASP A 86 6.143 11.279 -2.090 1.00 10.00 H new ATOM 0 HB3 ASP A 86 5.754 11.984 -0.533 1.00 10.00 H new ATOM 1037 N TYR A 87 8.984 11.150 -2.891 1.00 10.00 N ATOM 1038 CA TYR A 87 9.744 11.009 -4.118 1.00 10.00 C ATOM 1039 C TYR A 87 9.002 10.108 -5.093 1.00 10.00 C ATOM 1040 O TYR A 87 8.405 9.108 -4.694 1.00 10.00 O ATOM 1041 CB TYR A 87 11.134 10.438 -3.823 1.00 10.00 C ATOM 1042 CG TYR A 87 11.956 11.308 -2.897 1.00 10.00 C ATOM 1043 CD1 TYR A 87 12.459 12.529 -3.326 1.00 10.00 C ATOM 1044 CD2 TYR A 87 12.222 10.911 -1.592 1.00 10.00 C ATOM 1045 CE1 TYR A 87 13.203 13.330 -2.482 1.00 10.00 C ATOM 1046 CE2 TYR A 87 12.967 11.707 -0.743 1.00 10.00 C ATOM 1047 CZ TYR A 87 13.453 12.914 -1.193 1.00 10.00 C ATOM 1048 OH TYR A 87 14.187 13.712 -0.347 1.00 10.00 O ATOM 0 H TYR A 87 8.807 10.274 -2.399 1.00 10.00 H new ATOM 0 HA TYR A 87 9.862 11.994 -4.569 1.00 10.00 H new ATOM 0 HB2 TYR A 87 11.026 9.448 -3.379 1.00 10.00 H new ATOM 0 HB3 TYR A 87 11.673 10.309 -4.762 1.00 10.00 H new ATOM 0 HD1 TYR A 87 12.265 12.858 -4.336 1.00 10.00 H new ATOM 0 HD2 TYR A 87 11.840 9.966 -1.236 1.00 10.00 H new ATOM 0 HE1 TYR A 87 13.587 14.277 -2.831 1.00 10.00 H new ATOM 0 HE2 TYR A 87 13.167 11.384 0.268 1.00 10.00 H new ATOM 0 HH TYR A 87 14.271 13.273 0.525 1.00 10.00 H new ATOM 1058 N THR A 88 9.017 10.476 -6.362 1.00 10.00 N ATOM 1059 CA THR A 88 8.354 9.695 -7.390 1.00 10.00 C ATOM 1060 C THR A 88 9.210 8.490 -7.763 1.00 10.00 C ATOM 1061 O THR A 88 10.432 8.525 -7.598 1.00 10.00 O ATOM 1062 CB THR A 88 8.109 10.553 -8.641 1.00 10.00 C ATOM 1063 OG1 THR A 88 8.098 11.941 -8.278 1.00 10.00 O ATOM 1064 CG2 THR A 88 6.791 10.185 -9.306 1.00 10.00 C ATOM 0 H THR A 88 9.484 11.315 -6.706 1.00 10.00 H new ATOM 0 HA THR A 88 7.396 9.354 -6.999 1.00 10.00 H new ATOM 0 HB THR A 88 8.914 10.365 -9.351 1.00 10.00 H new ATOM 0 HG1 THR A 88 7.943 12.487 -9.077 1.00 10.00 H new ATOM 0 HG21 THR A 88 6.643 10.807 -10.189 1.00 10.00 H new ATOM 0 HG22 THR A 88 6.813 9.136 -9.601 1.00 10.00 H new ATOM 0 HG23 THR A 88 5.972 10.348 -8.605 1.00 10.00 H new ATOM 1072 N LEU A 89 8.579 7.421 -8.245 1.00 10.00 N ATOM 1073 CA LEU A 89 9.322 6.232 -8.642 1.00 10.00 C ATOM 1074 C LEU A 89 10.295 6.608 -9.752 1.00 10.00 C ATOM 1075 O LEU A 89 9.889 7.126 -10.791 1.00 10.00 O ATOM 1076 CB LEU A 89 8.399 5.106 -9.131 1.00 10.00 C ATOM 1077 CG LEU A 89 7.246 4.683 -8.205 1.00 10.00 C ATOM 1078 CD1 LEU A 89 7.598 4.836 -6.732 1.00 10.00 C ATOM 1079 CD2 LEU A 89 5.992 5.464 -8.542 1.00 10.00 C ATOM 0 H LEU A 89 7.569 7.355 -8.368 1.00 10.00 H new ATOM 0 HA LEU A 89 9.855 5.860 -7.767 1.00 10.00 H new ATOM 0 HB2 LEU A 89 7.970 5.413 -10.085 1.00 10.00 H new ATOM 0 HB3 LEU A 89 9.014 4.227 -9.326 1.00 10.00 H new ATOM 0 HG LEU A 89 7.063 3.622 -8.376 1.00 10.00 H new ATOM 0 HD11 LEU A 89 6.751 4.524 -6.121 1.00 10.00 H new ATOM 0 HD12 LEU A 89 8.462 4.214 -6.498 1.00 10.00 H new ATOM 0 HD13 LEU A 89 7.833 5.879 -6.521 1.00 10.00 H new ATOM 0 HD21 LEU A 89 5.183 5.156 -7.880 1.00 10.00 H new ATOM 0 HD22 LEU A 89 6.181 6.530 -8.412 1.00 10.00 H new ATOM 0 HD23 LEU A 89 5.709 5.269 -9.576 1.00 10.00 H new ATOM 1091 N ILE A 90 11.575 6.360 -9.518 1.00 10.00 N ATOM 1092 CA ILE A 90 12.622 6.699 -10.480 1.00 10.00 C ATOM 1093 C ILE A 90 12.484 5.948 -11.807 1.00 10.00 C ATOM 1094 O ILE A 90 12.873 6.462 -12.851 1.00 10.00 O ATOM 1095 CB ILE A 90 14.029 6.444 -9.899 1.00 10.00 C ATOM 1096 CG1 ILE A 90 14.014 5.243 -8.947 1.00 10.00 C ATOM 1097 CG2 ILE A 90 14.538 7.691 -9.188 1.00 10.00 C ATOM 1098 CD1 ILE A 90 15.379 4.862 -8.425 1.00 10.00 C ATOM 0 H ILE A 90 11.919 5.922 -8.664 1.00 10.00 H new ATOM 0 HA ILE A 90 12.496 7.763 -10.681 1.00 10.00 H new ATOM 0 HB ILE A 90 14.707 6.213 -10.721 1.00 10.00 H new ATOM 0 HG12 ILE A 90 13.362 5.469 -8.103 1.00 10.00 H new ATOM 0 HG13 ILE A 90 13.581 4.387 -9.464 1.00 10.00 H new ATOM 0 HG21 ILE A 90 15.531 7.499 -8.782 1.00 10.00 H new ATOM 0 HG22 ILE A 90 14.589 8.518 -9.896 1.00 10.00 H new ATOM 0 HG23 ILE A 90 13.858 7.950 -8.376 1.00 10.00 H new ATOM 0 HD11 ILE A 90 15.287 4.005 -7.758 1.00 10.00 H new ATOM 0 HD12 ILE A 90 16.029 4.604 -9.261 1.00 10.00 H new ATOM 0 HD13 ILE A 90 15.807 5.702 -7.878 1.00 10.00 H new ATOM 1110 N GLY A 91 11.928 4.746 -11.773 1.00 10.00 N ATOM 1111 CA GLY A 91 11.773 3.980 -13.000 1.00 10.00 C ATOM 1112 C GLY A 91 11.951 2.489 -12.787 1.00 10.00 C ATOM 1113 O GLY A 91 11.006 1.718 -12.968 1.00 10.00 O ATOM 0 H GLY A 91 11.584 4.288 -10.929 1.00 10.00 H new ATOM 0 HA2 GLY A 91 10.784 4.167 -13.418 1.00 10.00 H new ATOM 0 HA3 GLY A 91 12.500 4.327 -13.734 1.00 10.00 H new ATOM 1117 N PRO A 92 13.161 2.043 -12.399 1.00 10.00 N ATOM 1118 CA PRO A 92 13.443 0.619 -12.150 1.00 10.00 C ATOM 1119 C PRO A 92 12.662 0.058 -10.960 1.00 10.00 C ATOM 1120 O PRO A 92 12.796 -1.115 -10.615 1.00 10.00 O ATOM 1121 CB PRO A 92 14.947 0.593 -11.859 1.00 10.00 C ATOM 1122 CG PRO A 92 15.277 1.980 -11.431 1.00 10.00 C ATOM 1123 CD PRO A 92 14.360 2.877 -12.208 1.00 10.00 C ATOM 0 HA PRO A 92 13.146 0.000 -12.997 1.00 10.00 H new ATOM 0 HB2 PRO A 92 15.186 -0.129 -11.078 1.00 10.00 H new ATOM 0 HB3 PRO A 92 15.516 0.306 -12.743 1.00 10.00 H new ATOM 0 HG2 PRO A 92 15.129 2.104 -10.358 1.00 10.00 H new ATOM 0 HG3 PRO A 92 16.321 2.215 -11.638 1.00 10.00 H new ATOM 0 HD2 PRO A 92 14.132 3.792 -11.661 1.00 10.00 H new ATOM 0 HD3 PRO A 92 14.799 3.176 -13.160 1.00 10.00 H new ATOM 1131 N VAL A 93 11.844 0.900 -10.341 1.00 10.00 N ATOM 1132 CA VAL A 93 11.038 0.495 -9.200 1.00 10.00 C ATOM 1133 C VAL A 93 9.971 -0.501 -9.632 1.00 10.00 C ATOM 1134 O VAL A 93 9.728 -1.501 -8.960 1.00 10.00 O ATOM 1135 CB VAL A 93 10.366 1.711 -8.533 1.00 10.00 C ATOM 1136 CG1 VAL A 93 9.645 1.300 -7.261 1.00 10.00 C ATOM 1137 CG2 VAL A 93 11.391 2.794 -8.243 1.00 10.00 C ATOM 0 H VAL A 93 11.722 1.875 -10.614 1.00 10.00 H new ATOM 0 HA VAL A 93 11.702 0.024 -8.476 1.00 10.00 H new ATOM 0 HB VAL A 93 9.627 2.114 -9.225 1.00 10.00 H new ATOM 0 HG11 VAL A 93 9.179 2.175 -6.808 1.00 10.00 H new ATOM 0 HG12 VAL A 93 8.878 0.563 -7.499 1.00 10.00 H new ATOM 0 HG13 VAL A 93 10.360 0.867 -6.561 1.00 10.00 H new ATOM 0 HG21 VAL A 93 10.898 3.645 -7.772 1.00 10.00 H new ATOM 0 HG22 VAL A 93 12.156 2.401 -7.573 1.00 10.00 H new ATOM 0 HG23 VAL A 93 11.856 3.114 -9.176 1.00 10.00 H new ATOM 1147 N SER A 94 9.341 -0.223 -10.768 1.00 10.00 N ATOM 1148 CA SER A 94 8.312 -1.102 -11.306 1.00 10.00 C ATOM 1149 C SER A 94 8.891 -2.465 -11.693 1.00 10.00 C ATOM 1150 O SER A 94 8.150 -3.429 -11.898 1.00 10.00 O ATOM 1151 CB SER A 94 7.660 -0.450 -12.521 1.00 10.00 C ATOM 1152 OG SER A 94 7.695 0.963 -12.412 1.00 10.00 O ATOM 0 H SER A 94 9.526 0.605 -11.334 1.00 10.00 H new ATOM 0 HA SER A 94 7.563 -1.262 -10.531 1.00 10.00 H new ATOM 0 HB2 SER A 94 8.177 -0.762 -13.428 1.00 10.00 H new ATOM 0 HB3 SER A 94 6.627 -0.787 -12.610 1.00 10.00 H new ATOM 0 HG SER A 94 7.274 1.363 -13.201 1.00 10.00 H new ATOM 1158 N ALA A 95 10.213 -2.544 -11.786 1.00 10.00 N ATOM 1159 CA ALA A 95 10.886 -3.785 -12.141 1.00 10.00 C ATOM 1160 C ALA A 95 10.996 -4.702 -10.926 1.00 10.00 C ATOM 1161 O ALA A 95 11.407 -5.856 -11.040 1.00 10.00 O ATOM 1162 CB ALA A 95 12.265 -3.494 -12.717 1.00 10.00 C ATOM 0 H ALA A 95 10.842 -1.758 -11.619 1.00 10.00 H new ATOM 0 HA ALA A 95 10.294 -4.294 -12.901 1.00 10.00 H new ATOM 0 HB1 ALA A 95 12.756 -4.432 -12.978 1.00 10.00 H new ATOM 0 HB2 ALA A 95 12.164 -2.877 -13.610 1.00 10.00 H new ATOM 0 HB3 ALA A 95 12.864 -2.964 -11.976 1.00 10.00 H new ATOM 1168 N ILE A 96 10.619 -4.180 -9.766 1.00 10.00 N ATOM 1169 CA ILE A 96 10.664 -4.935 -8.529 1.00 10.00 C ATOM 1170 C ILE A 96 9.296 -5.531 -8.237 1.00 10.00 C ATOM 1171 O ILE A 96 8.335 -4.810 -7.975 1.00 10.00 O ATOM 1172 CB ILE A 96 11.110 -4.046 -7.351 1.00 10.00 C ATOM 1173 CG1 ILE A 96 12.473 -3.422 -7.659 1.00 10.00 C ATOM 1174 CG2 ILE A 96 11.166 -4.854 -6.059 1.00 10.00 C ATOM 1175 CD1 ILE A 96 12.740 -2.149 -6.895 1.00 10.00 C ATOM 0 H ILE A 96 10.276 -3.225 -9.660 1.00 10.00 H new ATOM 0 HA ILE A 96 11.393 -5.737 -8.646 1.00 10.00 H new ATOM 0 HB ILE A 96 10.381 -3.247 -7.216 1.00 10.00 H new ATOM 0 HG12 ILE A 96 13.255 -4.145 -7.428 1.00 10.00 H new ATOM 0 HG13 ILE A 96 12.536 -3.215 -8.727 1.00 10.00 H new ATOM 0 HG21 ILE A 96 11.483 -4.209 -5.240 1.00 10.00 H new ATOM 0 HG22 ILE A 96 10.178 -5.260 -5.840 1.00 10.00 H new ATOM 0 HG23 ILE A 96 11.877 -5.672 -6.172 1.00 10.00 H new ATOM 0 HD11 ILE A 96 13.723 -1.763 -7.163 1.00 10.00 H new ATOM 0 HD12 ILE A 96 11.979 -1.409 -7.144 1.00 10.00 H new ATOM 0 HD13 ILE A 96 12.710 -2.354 -5.825 1.00 10.00 H new ATOM 1187 N SER A 97 9.200 -6.843 -8.338 1.00 10.00 N ATOM 1188 CA SER A 97 7.949 -7.535 -8.084 1.00 10.00 C ATOM 1189 C SER A 97 8.202 -8.829 -7.314 1.00 10.00 C ATOM 1190 O SER A 97 8.525 -9.865 -7.899 1.00 10.00 O ATOM 1191 CB SER A 97 7.235 -7.822 -9.409 1.00 10.00 C ATOM 1192 OG SER A 97 7.182 -6.649 -10.213 1.00 10.00 O ATOM 0 H SER A 97 9.976 -7.454 -8.595 1.00 10.00 H new ATOM 0 HA SER A 97 7.309 -6.898 -7.473 1.00 10.00 H new ATOM 0 HB2 SER A 97 7.757 -8.614 -9.946 1.00 10.00 H new ATOM 0 HB3 SER A 97 6.225 -8.182 -9.214 1.00 10.00 H new ATOM 0 HG SER A 97 6.724 -6.850 -11.056 1.00 10.00 H new ATOM 1198 N THR A 98 8.070 -8.761 -6.000 1.00 10.00 N ATOM 1199 CA THR A 98 8.290 -9.919 -5.150 1.00 10.00 C ATOM 1200 C THR A 98 7.143 -10.092 -4.163 1.00 10.00 C ATOM 1201 O THR A 98 6.436 -9.136 -3.842 1.00 10.00 O ATOM 1202 CB THR A 98 9.618 -9.805 -4.370 1.00 10.00 C ATOM 1203 OG1 THR A 98 9.849 -10.990 -3.600 1.00 10.00 O ATOM 1204 CG2 THR A 98 9.594 -8.597 -3.447 1.00 10.00 C ATOM 0 H THR A 98 7.810 -7.912 -5.497 1.00 10.00 H new ATOM 0 HA THR A 98 8.341 -10.790 -5.804 1.00 10.00 H new ATOM 0 HB THR A 98 10.425 -9.684 -5.093 1.00 10.00 H new ATOM 0 HG1 THR A 98 10.596 -11.492 -3.988 1.00 10.00 H new ATOM 0 HG21 THR A 98 10.538 -8.534 -2.906 1.00 10.00 H new ATOM 0 HG22 THR A 98 9.452 -7.691 -4.037 1.00 10.00 H new ATOM 0 HG23 THR A 98 8.774 -8.699 -2.736 1.00 10.00 H new ATOM 1212 N THR A 99 6.957 -11.314 -3.693 1.00 10.00 N ATOM 1213 CA THR A 99 5.909 -11.609 -2.736 1.00 10.00 C ATOM 1214 C THR A 99 6.407 -11.419 -1.304 1.00 10.00 C ATOM 1215 O THR A 99 5.618 -11.360 -0.358 1.00 10.00 O ATOM 1216 CB THR A 99 5.405 -13.048 -2.920 1.00 10.00 C ATOM 1217 OG1 THR A 99 6.438 -13.849 -3.515 1.00 10.00 O ATOM 1218 CG2 THR A 99 4.160 -13.082 -3.793 1.00 10.00 C ATOM 0 H THR A 99 7.522 -12.120 -3.961 1.00 10.00 H new ATOM 0 HA THR A 99 5.088 -10.915 -2.915 1.00 10.00 H new ATOM 0 HB THR A 99 5.147 -13.451 -1.941 1.00 10.00 H new ATOM 0 HG1 THR A 99 6.115 -14.767 -3.630 1.00 10.00 H new ATOM 0 HG21 THR A 99 3.824 -14.113 -3.907 1.00 10.00 H new ATOM 0 HG22 THR A 99 3.371 -12.493 -3.325 1.00 10.00 H new ATOM 0 HG23 THR A 99 4.391 -12.665 -4.773 1.00 10.00 H new ATOM 1226 N SER A 100 7.721 -11.324 -1.151 1.00 10.00 N ATOM 1227 CA SER A 100 8.327 -11.138 0.157 1.00 10.00 C ATOM 1228 C SER A 100 8.531 -9.652 0.446 1.00 10.00 C ATOM 1229 O SER A 100 9.175 -8.942 -0.325 1.00 10.00 O ATOM 1230 CB SER A 100 9.658 -11.883 0.217 1.00 10.00 C ATOM 1231 OG SER A 100 9.540 -13.162 -0.383 1.00 10.00 O ATOM 0 H SER A 100 8.388 -11.373 -1.921 1.00 10.00 H new ATOM 0 HA SER A 100 7.660 -11.542 0.918 1.00 10.00 H new ATOM 0 HB2 SER A 100 10.428 -11.305 -0.294 1.00 10.00 H new ATOM 0 HB3 SER A 100 9.975 -11.990 1.254 1.00 10.00 H new ATOM 0 HG SER A 100 10.402 -13.625 -0.338 1.00 10.00 H new ATOM 1237 N VAL A 101 7.988 -9.195 1.566 1.00 10.00 N ATOM 1238 CA VAL A 101 8.091 -7.791 1.958 1.00 10.00 C ATOM 1239 C VAL A 101 9.540 -7.388 2.175 1.00 10.00 C ATOM 1240 O VAL A 101 9.989 -6.345 1.697 1.00 10.00 O ATOM 1241 CB VAL A 101 7.329 -7.488 3.259 1.00 10.00 C ATOM 1242 CG1 VAL A 101 6.833 -6.055 3.252 1.00 10.00 C ATOM 1243 CG2 VAL A 101 6.191 -8.463 3.493 1.00 10.00 C ATOM 0 H VAL A 101 7.469 -9.777 2.224 1.00 10.00 H new ATOM 0 HA VAL A 101 7.650 -7.224 1.138 1.00 10.00 H new ATOM 0 HB VAL A 101 8.023 -7.613 4.090 1.00 10.00 H new ATOM 0 HG11 VAL A 101 6.295 -5.852 4.178 1.00 10.00 H new ATOM 0 HG12 VAL A 101 7.682 -5.377 3.169 1.00 10.00 H new ATOM 0 HG13 VAL A 101 6.165 -5.905 2.404 1.00 10.00 H new ATOM 0 HG21 VAL A 101 5.681 -8.211 4.423 1.00 10.00 H new ATOM 0 HG22 VAL A 101 5.485 -8.404 2.665 1.00 10.00 H new ATOM 0 HG23 VAL A 101 6.588 -9.476 3.560 1.00 10.00 H new ATOM 1253 N GLN A 102 10.263 -8.230 2.896 1.00 10.00 N ATOM 1254 CA GLN A 102 11.662 -7.974 3.202 1.00 10.00 C ATOM 1255 C GLN A 102 12.489 -7.882 1.927 1.00 10.00 C ATOM 1256 O GLN A 102 13.456 -7.123 1.857 1.00 10.00 O ATOM 1257 CB GLN A 102 12.224 -9.072 4.104 1.00 10.00 C ATOM 1258 CG GLN A 102 11.558 -9.142 5.470 1.00 10.00 C ATOM 1259 CD GLN A 102 12.314 -10.036 6.435 1.00 10.00 C ATOM 1260 OE1 GLN A 102 13.166 -9.572 7.196 1.00 10.00 O ATOM 1261 NE2 GLN A 102 12.013 -11.323 6.410 1.00 10.00 N ATOM 0 H GLN A 102 9.902 -9.102 3.282 1.00 10.00 H new ATOM 0 HA GLN A 102 11.720 -7.020 3.725 1.00 10.00 H new ATOM 0 HB2 GLN A 102 12.110 -10.034 3.604 1.00 10.00 H new ATOM 0 HB3 GLN A 102 13.293 -8.907 4.239 1.00 10.00 H new ATOM 0 HG2 GLN A 102 11.486 -8.138 5.889 1.00 10.00 H new ATOM 0 HG3 GLN A 102 10.540 -9.513 5.356 1.00 10.00 H new ATOM 0 HE21 GLN A 102 11.302 -11.668 5.765 1.00 10.00 H new ATOM 0 HE22 GLN A 102 12.492 -11.971 7.035 1.00 10.00 H new ATOM 1270 N GLN A 103 12.097 -8.647 0.918 1.00 10.00 N ATOM 1271 CA GLN A 103 12.803 -8.645 -0.353 1.00 10.00 C ATOM 1272 C GLN A 103 12.533 -7.343 -1.093 1.00 10.00 C ATOM 1273 O GLN A 103 13.438 -6.748 -1.678 1.00 10.00 O ATOM 1274 CB GLN A 103 12.376 -9.838 -1.209 1.00 10.00 C ATOM 1275 CG GLN A 103 13.120 -9.931 -2.530 1.00 10.00 C ATOM 1276 CD GLN A 103 14.521 -10.480 -2.371 1.00 10.00 C ATOM 1277 OE1 GLN A 103 15.470 -9.732 -2.128 1.00 10.00 O ATOM 1278 NE2 GLN A 103 14.663 -11.786 -2.502 1.00 10.00 N ATOM 0 H GLN A 103 11.295 -9.276 0.956 1.00 10.00 H new ATOM 0 HA GLN A 103 13.872 -8.729 -0.158 1.00 10.00 H new ATOM 0 HB2 GLN A 103 12.537 -10.757 -0.645 1.00 10.00 H new ATOM 0 HB3 GLN A 103 11.306 -9.769 -1.407 1.00 10.00 H new ATOM 0 HG2 GLN A 103 12.560 -10.568 -3.214 1.00 10.00 H new ATOM 0 HG3 GLN A 103 13.171 -8.942 -2.985 1.00 10.00 H new ATOM 0 HE21 GLN A 103 13.851 -12.370 -2.703 1.00 10.00 H new ATOM 0 HE22 GLN A 103 15.585 -12.211 -2.402 1.00 10.00 H new ATOM 1287 N ALA A 104 11.282 -6.899 -1.040 1.00 10.00 N ATOM 1288 CA ALA A 104 10.875 -5.665 -1.697 1.00 10.00 C ATOM 1289 C ALA A 104 11.670 -4.484 -1.161 1.00 10.00 C ATOM 1290 O ALA A 104 12.241 -3.707 -1.927 1.00 10.00 O ATOM 1291 CB ALA A 104 9.384 -5.437 -1.501 1.00 10.00 C ATOM 0 H ALA A 104 10.530 -7.379 -0.546 1.00 10.00 H new ATOM 0 HA ALA A 104 11.079 -5.755 -2.764 1.00 10.00 H new ATOM 0 HB1 ALA A 104 9.089 -4.512 -1.996 1.00 10.00 H new ATOM 0 HB2 ALA A 104 8.829 -6.271 -1.930 1.00 10.00 H new ATOM 0 HB3 ALA A 104 9.164 -5.365 -0.436 1.00 10.00 H new ATOM 1297 N ALA A 105 11.719 -4.364 0.162 1.00 10.00 N ATOM 1298 CA ALA A 105 12.449 -3.281 0.807 1.00 10.00 C ATOM 1299 C ALA A 105 13.938 -3.369 0.487 1.00 10.00 C ATOM 1300 O ALA A 105 14.608 -2.354 0.284 1.00 10.00 O ATOM 1301 CB ALA A 105 12.220 -3.320 2.308 1.00 10.00 C ATOM 0 H ALA A 105 11.260 -5.006 0.809 1.00 10.00 H new ATOM 0 HA ALA A 105 12.077 -2.332 0.422 1.00 10.00 H new ATOM 0 HB1 ALA A 105 12.770 -2.506 2.781 1.00 10.00 H new ATOM 0 HB2 ALA A 105 11.156 -3.208 2.517 1.00 10.00 H new ATOM 0 HB3 ALA A 105 12.570 -4.273 2.705 1.00 10.00 H new ATOM 1307 N THR A 106 14.443 -4.592 0.430 1.00 10.00 N ATOM 1308 CA THR A 106 15.845 -4.837 0.129 1.00 10.00 C ATOM 1309 C THR A 106 16.188 -4.363 -1.283 1.00 10.00 C ATOM 1310 O THR A 106 17.161 -3.627 -1.486 1.00 10.00 O ATOM 1311 CB THR A 106 16.171 -6.337 0.285 1.00 10.00 C ATOM 1312 OG1 THR A 106 16.063 -6.709 1.664 1.00 10.00 O ATOM 1313 CG2 THR A 106 17.565 -6.665 -0.228 1.00 10.00 C ATOM 0 H THR A 106 13.896 -5.438 0.590 1.00 10.00 H new ATOM 0 HA THR A 106 16.451 -4.270 0.836 1.00 10.00 H new ATOM 0 HB THR A 106 15.455 -6.902 -0.311 1.00 10.00 H new ATOM 0 HG1 THR A 106 15.171 -7.076 1.835 1.00 10.00 H new ATOM 0 HG21 THR A 106 17.758 -7.730 -0.101 1.00 10.00 H new ATOM 0 HG22 THR A 106 17.634 -6.407 -1.285 1.00 10.00 H new ATOM 0 HG23 THR A 106 18.303 -6.093 0.334 1.00 10.00 H new ATOM 1321 N GLU A 107 15.370 -4.764 -2.250 1.00 10.00 N ATOM 1322 CA GLU A 107 15.581 -4.383 -3.636 1.00 10.00 C ATOM 1323 C GLU A 107 15.413 -2.879 -3.807 1.00 10.00 C ATOM 1324 O GLU A 107 16.177 -2.240 -4.526 1.00 10.00 O ATOM 1325 CB GLU A 107 14.616 -5.135 -4.551 1.00 10.00 C ATOM 1326 CG GLU A 107 14.935 -6.618 -4.675 1.00 10.00 C ATOM 1327 CD GLU A 107 15.058 -7.076 -6.113 1.00 10.00 C ATOM 1328 OE1 GLU A 107 16.022 -6.664 -6.791 1.00 10.00 O ATOM 1329 OE2 GLU A 107 14.199 -7.861 -6.573 1.00 10.00 O ATOM 0 H GLU A 107 14.553 -5.355 -2.096 1.00 10.00 H new ATOM 0 HA GLU A 107 16.600 -4.651 -3.915 1.00 10.00 H new ATOM 0 HB2 GLU A 107 13.601 -5.019 -4.170 1.00 10.00 H new ATOM 0 HB3 GLU A 107 14.638 -4.682 -5.542 1.00 10.00 H new ATOM 0 HG2 GLU A 107 15.867 -6.829 -4.151 1.00 10.00 H new ATOM 0 HG3 GLU A 107 14.154 -7.195 -4.181 1.00 10.00 H new ATOM 1336 N LEU A 108 14.417 -2.312 -3.129 1.00 10.00 N ATOM 1337 CA LEU A 108 14.169 -0.880 -3.201 1.00 10.00 C ATOM 1338 C LEU A 108 15.382 -0.107 -2.700 1.00 10.00 C ATOM 1339 O LEU A 108 15.875 0.784 -3.380 1.00 10.00 O ATOM 1340 CB LEU A 108 12.943 -0.490 -2.374 1.00 10.00 C ATOM 1341 CG LEU A 108 11.583 -0.848 -2.976 1.00 10.00 C ATOM 1342 CD1 LEU A 108 10.467 -0.439 -2.027 1.00 10.00 C ATOM 1343 CD2 LEU A 108 11.401 -0.178 -4.328 1.00 10.00 C ATOM 0 H LEU A 108 13.772 -2.823 -2.526 1.00 10.00 H new ATOM 0 HA LEU A 108 13.981 -0.628 -4.245 1.00 10.00 H new ATOM 0 HB2 LEU A 108 13.022 -0.967 -1.397 1.00 10.00 H new ATOM 0 HB3 LEU A 108 12.971 0.587 -2.206 1.00 10.00 H new ATOM 0 HG LEU A 108 11.542 -1.927 -3.122 1.00 10.00 H new ATOM 0 HD11 LEU A 108 9.503 -0.698 -2.465 1.00 10.00 H new ATOM 0 HD12 LEU A 108 10.587 -0.962 -1.078 1.00 10.00 H new ATOM 0 HD13 LEU A 108 10.510 0.637 -1.857 1.00 10.00 H new ATOM 0 HD21 LEU A 108 10.427 -0.446 -4.739 1.00 10.00 H new ATOM 0 HD22 LEU A 108 11.459 0.904 -4.209 1.00 10.00 H new ATOM 0 HD23 LEU A 108 12.185 -0.511 -5.008 1.00 10.00 H new ATOM 1355 N SER A 109 15.864 -0.469 -1.514 1.00 10.00 N ATOM 1356 CA SER A 109 17.021 0.190 -0.918 1.00 10.00 C ATOM 1357 C SER A 109 18.243 0.090 -1.822 1.00 10.00 C ATOM 1358 O SER A 109 19.065 1.002 -1.865 1.00 10.00 O ATOM 1359 CB SER A 109 17.339 -0.427 0.441 1.00 10.00 C ATOM 1360 OG SER A 109 16.210 -0.384 1.295 1.00 10.00 O ATOM 0 H SER A 109 15.469 -1.218 -0.945 1.00 10.00 H new ATOM 0 HA SER A 109 16.772 1.244 -0.791 1.00 10.00 H new ATOM 0 HB2 SER A 109 17.660 -1.460 0.309 1.00 10.00 H new ATOM 0 HB3 SER A 109 18.169 0.108 0.902 1.00 10.00 H new ATOM 0 HG SER A 109 15.628 -1.150 1.107 1.00 10.00 H new ATOM 1366 N ALA A 110 18.350 -1.016 -2.549 1.00 10.00 N ATOM 1367 CA ALA A 110 19.471 -1.234 -3.450 1.00 10.00 C ATOM 1368 C ALA A 110 19.517 -0.165 -4.535 1.00 10.00 C ATOM 1369 O ALA A 110 20.587 0.328 -4.893 1.00 10.00 O ATOM 1370 CB ALA A 110 19.384 -2.621 -4.065 1.00 10.00 C ATOM 0 H ALA A 110 17.671 -1.777 -2.531 1.00 10.00 H new ATOM 0 HA ALA A 110 20.394 -1.163 -2.875 1.00 10.00 H new ATOM 0 HB1 ALA A 110 20.228 -2.774 -4.738 1.00 10.00 H new ATOM 0 HB2 ALA A 110 19.409 -3.372 -3.275 1.00 10.00 H new ATOM 0 HB3 ALA A 110 18.453 -2.713 -4.624 1.00 10.00 H new ATOM 1376 N VAL A 111 18.350 0.198 -5.043 1.00 10.00 N ATOM 1377 CA VAL A 111 18.246 1.204 -6.094 1.00 10.00 C ATOM 1378 C VAL A 111 18.149 2.611 -5.502 1.00 10.00 C ATOM 1379 O VAL A 111 18.740 3.565 -6.014 1.00 10.00 O ATOM 1380 CB VAL A 111 17.006 0.959 -6.978 1.00 10.00 C ATOM 1381 CG1 VAL A 111 17.106 1.740 -8.274 1.00 10.00 C ATOM 1382 CG2 VAL A 111 16.816 -0.522 -7.262 1.00 10.00 C ATOM 0 H VAL A 111 17.455 -0.190 -4.744 1.00 10.00 H new ATOM 0 HA VAL A 111 19.148 1.123 -6.700 1.00 10.00 H new ATOM 0 HB VAL A 111 16.133 1.311 -6.429 1.00 10.00 H new ATOM 0 HG11 VAL A 111 16.221 1.552 -8.881 1.00 10.00 H new ATOM 0 HG12 VAL A 111 17.175 2.805 -8.053 1.00 10.00 H new ATOM 0 HG13 VAL A 111 17.995 1.425 -8.821 1.00 10.00 H new ATOM 0 HG21 VAL A 111 15.934 -0.662 -7.887 1.00 10.00 H new ATOM 0 HG22 VAL A 111 17.694 -0.909 -7.780 1.00 10.00 H new ATOM 0 HG23 VAL A 111 16.684 -1.059 -6.322 1.00 10.00 H new ATOM 1392 N TYR A 112 17.399 2.719 -4.418 1.00 10.00 N ATOM 1393 CA TYR A 112 17.164 3.985 -3.729 1.00 10.00 C ATOM 1394 C TYR A 112 18.426 4.549 -3.088 1.00 10.00 C ATOM 1395 O TYR A 112 18.513 5.753 -2.845 1.00 10.00 O ATOM 1396 CB TYR A 112 16.077 3.807 -2.674 1.00 10.00 C ATOM 1397 CG TYR A 112 14.677 3.696 -3.245 1.00 10.00 C ATOM 1398 CD1 TYR A 112 14.444 3.781 -4.618 1.00 10.00 C ATOM 1399 CD2 TYR A 112 13.586 3.508 -2.410 1.00 10.00 C ATOM 1400 CE1 TYR A 112 13.168 3.681 -5.132 1.00 10.00 C ATOM 1401 CE2 TYR A 112 12.309 3.406 -2.919 1.00 10.00 C ATOM 1402 CZ TYR A 112 12.106 3.493 -4.280 1.00 10.00 C ATOM 1403 OH TYR A 112 10.834 3.388 -4.794 1.00 10.00 O ATOM 0 H TYR A 112 16.930 1.924 -3.984 1.00 10.00 H new ATOM 0 HA TYR A 112 16.840 4.705 -4.481 1.00 10.00 H new ATOM 0 HB2 TYR A 112 16.293 2.911 -2.092 1.00 10.00 H new ATOM 0 HB3 TYR A 112 16.112 4.651 -1.985 1.00 10.00 H new ATOM 0 HD1 TYR A 112 15.277 3.928 -5.290 1.00 10.00 H new ATOM 0 HD2 TYR A 112 13.739 3.440 -1.343 1.00 10.00 H new ATOM 0 HE1 TYR A 112 13.004 3.750 -6.197 1.00 10.00 H new ATOM 0 HE2 TYR A 112 11.471 3.258 -2.254 1.00 10.00 H new ATOM 0 HH TYR A 112 10.770 3.913 -5.619 1.00 10.00 H new ATOM 1413 N ALA A 113 19.381 3.680 -2.781 1.00 10.00 N ATOM 1414 CA ALA A 113 20.638 4.097 -2.162 1.00 10.00 C ATOM 1415 C ALA A 113 21.302 5.239 -2.933 1.00 10.00 C ATOM 1416 O ALA A 113 21.857 6.155 -2.333 1.00 10.00 O ATOM 1417 CB ALA A 113 21.587 2.915 -2.049 1.00 10.00 C ATOM 0 H ALA A 113 19.310 2.677 -2.951 1.00 10.00 H new ATOM 0 HA ALA A 113 20.406 4.467 -1.163 1.00 10.00 H new ATOM 0 HB1 ALA A 113 22.519 3.240 -1.586 1.00 10.00 H new ATOM 0 HB2 ALA A 113 21.129 2.138 -1.437 1.00 10.00 H new ATOM 0 HB3 ALA A 113 21.794 2.518 -3.043 1.00 10.00 H new ATOM 1423 N ALA A 114 21.212 5.202 -4.261 1.00 10.00 N ATOM 1424 CA ALA A 114 21.806 6.240 -5.101 1.00 10.00 C ATOM 1425 C ALA A 114 21.063 7.569 -4.963 1.00 10.00 C ATOM 1426 O ALA A 114 21.509 8.597 -5.474 1.00 10.00 O ATOM 1427 CB ALA A 114 21.821 5.799 -6.554 1.00 10.00 C ATOM 0 H ALA A 114 20.734 4.465 -4.778 1.00 10.00 H new ATOM 0 HA ALA A 114 22.831 6.393 -4.762 1.00 10.00 H new ATOM 0 HB1 ALA A 114 22.266 6.582 -7.167 1.00 10.00 H new ATOM 0 HB2 ALA A 114 22.407 4.885 -6.651 1.00 10.00 H new ATOM 0 HB3 ALA A 114 20.800 5.613 -6.888 1.00 10.00 H new ATOM 1433 N GLN A 115 19.921 7.539 -4.291 1.00 10.00 N ATOM 1434 CA GLN A 115 19.117 8.735 -4.077 1.00 10.00 C ATOM 1435 C GLN A 115 19.117 9.112 -2.598 1.00 10.00 C ATOM 1436 O GLN A 115 18.457 10.067 -2.190 1.00 10.00 O ATOM 1437 CB GLN A 115 17.684 8.514 -4.567 1.00 10.00 C ATOM 1438 CG GLN A 115 17.586 8.265 -6.064 1.00 10.00 C ATOM 1439 CD GLN A 115 17.915 9.496 -6.884 1.00 10.00 C ATOM 1440 OE1 GLN A 115 17.027 10.264 -7.258 1.00 10.00 O ATOM 1441 NE2 GLN A 115 19.191 9.693 -7.170 1.00 10.00 N ATOM 0 H GLN A 115 19.527 6.692 -3.881 1.00 10.00 H new ATOM 0 HA GLN A 115 19.555 9.553 -4.649 1.00 10.00 H new ATOM 0 HB2 GLN A 115 17.254 7.664 -4.037 1.00 10.00 H new ATOM 0 HB3 GLN A 115 17.083 9.387 -4.312 1.00 10.00 H new ATOM 0 HG2 GLN A 115 18.265 7.458 -6.339 1.00 10.00 H new ATOM 0 HG3 GLN A 115 16.578 7.930 -6.307 1.00 10.00 H new ATOM 0 HE21 GLN A 115 19.895 9.033 -6.841 1.00 10.00 H new ATOM 0 HE22 GLN A 115 19.471 10.505 -7.720 1.00 10.00 H new ATOM 1450 N GLY A 116 19.858 8.347 -1.806 1.00 10.00 N ATOM 1451 CA GLY A 116 19.949 8.606 -0.382 1.00 10.00 C ATOM 1452 C GLY A 116 18.735 8.126 0.387 1.00 10.00 C ATOM 1453 O GLY A 116 18.431 8.647 1.462 1.00 10.00 O ATOM 0 H GLY A 116 20.401 7.546 -2.128 1.00 10.00 H new ATOM 0 HA2 GLY A 116 20.839 8.118 0.014 1.00 10.00 H new ATOM 0 HA3 GLY A 116 20.074 9.677 -0.221 1.00 10.00 H new ATOM 1457 N VAL A 117 18.055 7.121 -0.145 1.00 10.00 N ATOM 1458 CA VAL A 117 16.861 6.578 0.495 1.00 10.00 C ATOM 1459 C VAL A 117 17.033 5.087 0.785 1.00 10.00 C ATOM 1460 O VAL A 117 17.613 4.357 -0.015 1.00 10.00 O ATOM 1461 CB VAL A 117 15.605 6.796 -0.389 1.00 10.00 C ATOM 1462 CG1 VAL A 117 14.376 6.147 0.229 1.00 10.00 C ATOM 1463 CG2 VAL A 117 15.355 8.278 -0.617 1.00 10.00 C ATOM 0 H VAL A 117 18.309 6.663 -1.020 1.00 10.00 H new ATOM 0 HA VAL A 117 16.722 7.110 1.436 1.00 10.00 H new ATOM 0 HB VAL A 117 15.795 6.321 -1.352 1.00 10.00 H new ATOM 0 HG11 VAL A 117 13.512 6.317 -0.414 1.00 10.00 H new ATOM 0 HG12 VAL A 117 14.544 5.075 0.334 1.00 10.00 H new ATOM 0 HG13 VAL A 117 14.189 6.583 1.210 1.00 10.00 H new ATOM 0 HG21 VAL A 117 14.469 8.406 -1.239 1.00 10.00 H new ATOM 0 HG22 VAL A 117 15.199 8.772 0.342 1.00 10.00 H new ATOM 0 HG23 VAL A 117 16.217 8.720 -1.117 1.00 10.00 H new ATOM 1473 N SER A 118 16.548 4.651 1.939 1.00 10.00 N ATOM 1474 CA SER A 118 16.630 3.254 2.333 1.00 10.00 C ATOM 1475 C SER A 118 15.321 2.832 2.995 1.00 10.00 C ATOM 1476 O SER A 118 14.723 3.605 3.746 1.00 10.00 O ATOM 1477 CB SER A 118 17.799 3.046 3.296 1.00 10.00 C ATOM 1478 OG SER A 118 18.237 1.694 3.303 1.00 10.00 O ATOM 0 H SER A 118 16.090 5.252 2.624 1.00 10.00 H new ATOM 0 HA SER A 118 16.797 2.641 1.447 1.00 10.00 H new ATOM 0 HB2 SER A 118 18.626 3.696 3.010 1.00 10.00 H new ATOM 0 HB3 SER A 118 17.498 3.337 4.302 1.00 10.00 H new ATOM 0 HG SER A 118 18.986 1.596 3.927 1.00 10.00 H new ATOM 1484 N VAL A 119 14.870 1.618 2.709 1.00 10.00 N ATOM 1485 CA VAL A 119 13.627 1.112 3.278 1.00 10.00 C ATOM 1486 C VAL A 119 13.830 -0.281 3.859 1.00 10.00 C ATOM 1487 O VAL A 119 14.542 -1.105 3.289 1.00 10.00 O ATOM 1488 CB VAL A 119 12.493 1.066 2.230 1.00 10.00 C ATOM 1489 CG1 VAL A 119 12.003 2.465 1.909 1.00 10.00 C ATOM 1490 CG2 VAL A 119 12.950 0.369 0.960 1.00 10.00 C ATOM 0 H VAL A 119 15.346 0.965 2.086 1.00 10.00 H new ATOM 0 HA VAL A 119 13.336 1.801 4.071 1.00 10.00 H new ATOM 0 HB VAL A 119 11.669 0.495 2.658 1.00 10.00 H new ATOM 0 HG11 VAL A 119 11.205 2.410 1.169 1.00 10.00 H new ATOM 0 HG12 VAL A 119 11.625 2.935 2.817 1.00 10.00 H new ATOM 0 HG13 VAL A 119 12.827 3.057 1.510 1.00 10.00 H new ATOM 0 HG21 VAL A 119 12.132 0.351 0.240 1.00 10.00 H new ATOM 0 HG22 VAL A 119 13.796 0.907 0.534 1.00 10.00 H new ATOM 0 HG23 VAL A 119 13.250 -0.653 1.193 1.00 10.00 H new ATOM 1500 N SER A 120 13.225 -0.538 5.003 1.00 10.00 N ATOM 1501 CA SER A 120 13.344 -1.836 5.645 1.00 10.00 C ATOM 1502 C SER A 120 12.025 -2.227 6.300 1.00 10.00 C ATOM 1503 O SER A 120 11.202 -1.367 6.606 1.00 10.00 O ATOM 1504 CB SER A 120 14.456 -1.801 6.696 1.00 10.00 C ATOM 1505 OG SER A 120 15.593 -1.098 6.213 1.00 10.00 O ATOM 0 H SER A 120 12.646 0.133 5.508 1.00 10.00 H new ATOM 0 HA SER A 120 13.593 -2.578 4.886 1.00 10.00 H new ATOM 0 HB2 SER A 120 14.088 -1.324 7.604 1.00 10.00 H new ATOM 0 HB3 SER A 120 14.740 -2.819 6.964 1.00 10.00 H new ATOM 0 HG SER A 120 16.289 -1.088 6.903 1.00 10.00 H new ATOM 1511 N VAL A 121 11.825 -3.518 6.498 1.00 10.00 N ATOM 1512 CA VAL A 121 10.620 -4.013 7.130 1.00 10.00 C ATOM 1513 C VAL A 121 10.975 -4.534 8.511 1.00 10.00 C ATOM 1514 O VAL A 121 11.707 -5.515 8.643 1.00 10.00 O ATOM 1515 CB VAL A 121 9.964 -5.150 6.321 1.00 10.00 C ATOM 1516 CG1 VAL A 121 8.544 -5.404 6.802 1.00 10.00 C ATOM 1517 CG2 VAL A 121 9.993 -4.851 4.831 1.00 10.00 C ATOM 0 H VAL A 121 12.488 -4.245 6.227 1.00 10.00 H new ATOM 0 HA VAL A 121 9.907 -3.191 7.187 1.00 10.00 H new ATOM 0 HB VAL A 121 10.543 -6.058 6.486 1.00 10.00 H new ATOM 0 HG11 VAL A 121 8.100 -6.210 6.217 1.00 10.00 H new ATOM 0 HG12 VAL A 121 8.561 -5.686 7.855 1.00 10.00 H new ATOM 0 HG13 VAL A 121 7.951 -4.498 6.679 1.00 10.00 H new ATOM 0 HG21 VAL A 121 9.524 -5.670 4.286 1.00 10.00 H new ATOM 0 HG22 VAL A 121 9.450 -3.927 4.635 1.00 10.00 H new ATOM 0 HG23 VAL A 121 11.026 -4.742 4.502 1.00 10.00 H new ATOM 1527 N SER A 122 10.463 -3.882 9.530 1.00 10.00 N ATOM 1528 CA SER A 122 10.753 -4.270 10.891 1.00 10.00 C ATOM 1529 C SER A 122 9.476 -4.333 11.715 1.00 10.00 C ATOM 1530 O SER A 122 8.775 -3.332 11.854 1.00 10.00 O ATOM 1531 CB SER A 122 11.741 -3.272 11.493 1.00 10.00 C ATOM 1532 OG SER A 122 12.871 -3.112 10.649 1.00 10.00 O ATOM 0 H SER A 122 9.842 -3.078 9.441 1.00 10.00 H new ATOM 0 HA SER A 122 11.198 -5.265 10.898 1.00 10.00 H new ATOM 0 HB2 SER A 122 11.250 -2.310 11.638 1.00 10.00 H new ATOM 0 HB3 SER A 122 12.061 -3.618 12.476 1.00 10.00 H new ATOM 0 HG SER A 122 13.491 -2.468 11.051 1.00 10.00 H new ATOM 1538 N ALA A 123 9.168 -5.527 12.221 1.00 10.00 N ATOM 1539 CA ALA A 123 7.975 -5.759 13.038 1.00 10.00 C ATOM 1540 C ALA A 123 6.710 -5.508 12.229 1.00 10.00 C ATOM 1541 O ALA A 123 5.751 -4.898 12.711 1.00 10.00 O ATOM 1542 CB ALA A 123 8.000 -4.895 14.293 1.00 10.00 C ATOM 0 H ALA A 123 9.738 -6.361 12.077 1.00 10.00 H new ATOM 0 HA ALA A 123 7.975 -6.803 13.350 1.00 10.00 H new ATOM 0 HB1 ALA A 123 7.104 -5.085 14.883 1.00 10.00 H new ATOM 0 HB2 ALA A 123 8.883 -5.138 14.885 1.00 10.00 H new ATOM 0 HB3 ALA A 123 8.032 -3.843 14.010 1.00 10.00 H new ATOM 1548 N ASN A 124 6.728 -5.986 10.986 1.00 10.00 N ATOM 1549 CA ASN A 124 5.600 -5.840 10.066 1.00 10.00 C ATOM 1550 C ASN A 124 5.302 -4.366 9.804 1.00 10.00 C ATOM 1551 O ASN A 124 4.167 -3.983 9.512 1.00 10.00 O ATOM 1552 CB ASN A 124 4.356 -6.556 10.609 1.00 10.00 C ATOM 1553 CG ASN A 124 3.644 -7.364 9.541 1.00 10.00 C ATOM 1554 OD1 ASN A 124 4.273 -7.871 8.610 1.00 10.00 O ATOM 1555 ND2 ASN A 124 2.331 -7.492 9.665 1.00 10.00 N ATOM 0 H ASN A 124 7.524 -6.485 10.588 1.00 10.00 H new ATOM 0 HA ASN A 124 5.874 -6.306 9.119 1.00 10.00 H new ATOM 0 HB2 ASN A 124 4.647 -7.216 11.427 1.00 10.00 H new ATOM 0 HB3 ASN A 124 3.668 -5.819 11.023 1.00 10.00 H new ATOM 0 HD21 ASN A 124 1.803 -8.026 8.975 1.00 10.00 H new ATOM 0 HD22 ASN A 124 1.848 -7.056 10.451 1.00 10.00 H new ATOM 1562 N LYS A 125 6.333 -3.545 9.915 1.00 10.00 N ATOM 1563 CA LYS A 125 6.215 -2.118 9.685 1.00 10.00 C ATOM 1564 C LYS A 125 7.311 -1.679 8.725 1.00 10.00 C ATOM 1565 O LYS A 125 8.462 -2.098 8.867 1.00 10.00 O ATOM 1566 CB LYS A 125 6.341 -1.360 11.008 1.00 10.00 C ATOM 1567 CG LYS A 125 6.006 0.118 10.909 1.00 10.00 C ATOM 1568 CD LYS A 125 6.202 0.812 12.247 1.00 10.00 C ATOM 1569 CE LYS A 125 5.261 1.990 12.409 1.00 10.00 C ATOM 1570 NZ LYS A 125 5.094 2.377 13.834 1.00 10.00 N ATOM 0 H LYS A 125 7.273 -3.850 10.167 1.00 10.00 H new ATOM 0 HA LYS A 125 5.239 -1.897 9.252 1.00 10.00 H new ATOM 0 HB2 LYS A 125 5.683 -1.822 11.744 1.00 10.00 H new ATOM 0 HB3 LYS A 125 7.360 -1.467 11.380 1.00 10.00 H new ATOM 0 HG2 LYS A 125 6.638 0.588 10.156 1.00 10.00 H new ATOM 0 HG3 LYS A 125 4.974 0.239 10.580 1.00 10.00 H new ATOM 0 HD2 LYS A 125 6.036 0.099 13.055 1.00 10.00 H new ATOM 0 HD3 LYS A 125 7.233 1.155 12.332 1.00 10.00 H new ATOM 0 HE2 LYS A 125 5.644 2.840 11.845 1.00 10.00 H new ATOM 0 HE3 LYS A 125 4.289 1.738 11.985 1.00 10.00 H new ATOM 0 HZ1 LYS A 125 4.443 3.186 13.900 1.00 10.00 H new ATOM 0 HZ2 LYS A 125 4.704 1.574 14.368 1.00 10.00 H new ATOM 0 HZ3 LYS A 125 6.017 2.642 14.232 1.00 10.00 H new ATOM 1584 N LEU A 126 6.965 -0.860 7.749 1.00 10.00 N ATOM 1585 CA LEU A 126 7.941 -0.390 6.778 1.00 10.00 C ATOM 1586 C LEU A 126 8.612 0.880 7.279 1.00 10.00 C ATOM 1587 O LEU A 126 7.946 1.868 7.567 1.00 10.00 O ATOM 1588 CB LEU A 126 7.270 -0.142 5.426 1.00 10.00 C ATOM 1589 CG LEU A 126 6.608 -1.369 4.796 1.00 10.00 C ATOM 1590 CD1 LEU A 126 5.964 -0.998 3.468 1.00 10.00 C ATOM 1591 CD2 LEU A 126 7.624 -2.484 4.595 1.00 10.00 C ATOM 0 H LEU A 126 6.019 -0.506 7.606 1.00 10.00 H new ATOM 0 HA LEU A 126 8.703 -1.158 6.649 1.00 10.00 H new ATOM 0 HB2 LEU A 126 6.516 0.635 5.549 1.00 10.00 H new ATOM 0 HB3 LEU A 126 8.017 0.245 4.733 1.00 10.00 H new ATOM 0 HG LEU A 126 5.833 -1.727 5.474 1.00 10.00 H new ATOM 0 HD11 LEU A 126 5.497 -1.881 3.031 1.00 10.00 H new ATOM 0 HD12 LEU A 126 5.207 -0.231 3.632 1.00 10.00 H new ATOM 0 HD13 LEU A 126 6.726 -0.617 2.788 1.00 10.00 H new ATOM 0 HD21 LEU A 126 7.133 -3.347 4.146 1.00 10.00 H new ATOM 0 HD22 LEU A 126 8.420 -2.136 3.937 1.00 10.00 H new ATOM 0 HD23 LEU A 126 8.048 -2.768 5.558 1.00 10.00 H new ATOM 1603 N LEU A 127 9.927 0.845 7.384 1.00 10.00 N ATOM 1604 CA LEU A 127 10.691 1.985 7.861 1.00 10.00 C ATOM 1605 C LEU A 127 11.462 2.629 6.722 1.00 10.00 C ATOM 1606 O LEU A 127 12.201 1.953 6.005 1.00 10.00 O ATOM 1607 CB LEU A 127 11.673 1.548 8.956 1.00 10.00 C ATOM 1608 CG LEU A 127 11.238 1.818 10.400 1.00 10.00 C ATOM 1609 CD1 LEU A 127 11.129 3.312 10.653 1.00 10.00 C ATOM 1610 CD2 LEU A 127 9.924 1.120 10.714 1.00 10.00 C ATOM 0 H LEU A 127 10.494 0.032 7.143 1.00 10.00 H new ATOM 0 HA LEU A 127 9.991 2.712 8.272 1.00 10.00 H new ATOM 0 HB2 LEU A 127 11.855 0.479 8.847 1.00 10.00 H new ATOM 0 HB3 LEU A 127 12.624 2.052 8.785 1.00 10.00 H new ATOM 0 HG LEU A 127 12.000 1.411 11.065 1.00 10.00 H new ATOM 0 HD11 LEU A 127 10.819 3.485 11.684 1.00 10.00 H new ATOM 0 HD12 LEU A 127 12.098 3.782 10.482 1.00 10.00 H new ATOM 0 HD13 LEU A 127 10.392 3.743 9.975 1.00 10.00 H new ATOM 0 HD21 LEU A 127 9.639 1.328 11.745 1.00 10.00 H new ATOM 0 HD22 LEU A 127 9.148 1.486 10.042 1.00 10.00 H new ATOM 0 HD23 LEU A 127 10.042 0.045 10.581 1.00 10.00 H new ATOM 1622 N VAL A 128 11.269 3.926 6.542 1.00 10.00 N ATOM 1623 CA VAL A 128 11.965 4.664 5.502 1.00 10.00 C ATOM 1624 C VAL A 128 12.916 5.663 6.143 1.00 10.00 C ATOM 1625 O VAL A 128 12.479 6.552 6.878 1.00 10.00 O ATOM 1626 CB VAL A 128 10.983 5.428 4.586 1.00 10.00 C ATOM 1627 CG1 VAL A 128 11.685 5.909 3.329 1.00 10.00 C ATOM 1628 CG2 VAL A 128 9.788 4.562 4.232 1.00 10.00 C ATOM 0 H VAL A 128 10.633 4.491 7.106 1.00 10.00 H new ATOM 0 HA VAL A 128 12.512 3.944 4.893 1.00 10.00 H new ATOM 0 HB VAL A 128 10.621 6.299 5.132 1.00 10.00 H new ATOM 0 HG11 VAL A 128 10.975 6.444 2.698 1.00 10.00 H new ATOM 0 HG12 VAL A 128 12.503 6.576 3.602 1.00 10.00 H new ATOM 0 HG13 VAL A 128 12.081 5.053 2.783 1.00 10.00 H new ATOM 0 HG21 VAL A 128 9.111 5.122 3.587 1.00 10.00 H new ATOM 0 HG22 VAL A 128 10.129 3.667 3.711 1.00 10.00 H new ATOM 0 HG23 VAL A 128 9.265 4.274 5.144 1.00 10.00 H new ATOM 1638 N GLN A 129 14.203 5.530 5.855 1.00 10.00 N ATOM 1639 CA GLN A 129 15.211 6.419 6.420 1.00 10.00 C ATOM 1640 C GLN A 129 16.271 6.755 5.378 1.00 10.00 C ATOM 1641 O GLN A 129 16.567 5.944 4.500 1.00 10.00 O ATOM 1642 CB GLN A 129 15.881 5.772 7.641 1.00 10.00 C ATOM 1643 CG GLN A 129 14.969 5.633 8.851 1.00 10.00 C ATOM 1644 CD GLN A 129 15.734 5.293 10.116 1.00 10.00 C ATOM 1645 OE1 GLN A 129 16.795 4.667 10.065 1.00 10.00 O ATOM 1646 NE2 GLN A 129 15.207 5.700 11.261 1.00 10.00 N ATOM 0 H GLN A 129 14.575 4.813 5.232 1.00 10.00 H new ATOM 0 HA GLN A 129 14.712 7.336 6.733 1.00 10.00 H new ATOM 0 HB2 GLN A 129 16.247 4.784 7.360 1.00 10.00 H new ATOM 0 HB3 GLN A 129 16.751 6.366 7.922 1.00 10.00 H new ATOM 0 HG2 GLN A 129 14.422 6.564 8.999 1.00 10.00 H new ATOM 0 HG3 GLN A 129 14.229 4.856 8.657 1.00 10.00 H new ATOM 0 HE21 GLN A 129 14.327 6.216 11.263 1.00 10.00 H new ATOM 0 HE22 GLN A 129 15.681 5.498 12.141 1.00 10.00 H new ATOM 1655 N PRO A 130 16.846 7.963 5.449 1.00 10.00 N ATOM 1656 CA PRO A 130 17.887 8.390 4.517 1.00 10.00 C ATOM 1657 C PRO A 130 19.240 7.764 4.848 1.00 10.00 C ATOM 1658 O PRO A 130 19.556 7.519 6.016 1.00 10.00 O ATOM 1659 CB PRO A 130 17.936 9.903 4.714 1.00 10.00 C ATOM 1660 CG PRO A 130 17.492 10.117 6.121 1.00 10.00 C ATOM 1661 CD PRO A 130 16.516 9.013 6.432 1.00 10.00 C ATOM 0 HA PRO A 130 17.673 8.089 3.492 1.00 10.00 H new ATOM 0 HB2 PRO A 130 18.942 10.291 4.553 1.00 10.00 H new ATOM 0 HB3 PRO A 130 17.280 10.415 4.010 1.00 10.00 H new ATOM 0 HG2 PRO A 130 18.341 10.089 6.804 1.00 10.00 H new ATOM 0 HG3 PRO A 130 17.023 11.094 6.236 1.00 10.00 H new ATOM 0 HD2 PRO A 130 16.631 8.654 7.455 1.00 10.00 H new ATOM 0 HD3 PRO A 130 15.485 9.350 6.327 1.00 10.00 H new ATOM 1669 N VAL A 131 20.034 7.503 3.822 1.00 10.00 N ATOM 1670 CA VAL A 131 21.354 6.908 4.005 1.00 10.00 C ATOM 1671 C VAL A 131 22.451 7.876 3.579 1.00 10.00 C ATOM 1672 O VAL A 131 22.240 8.707 2.695 1.00 10.00 O ATOM 1673 CB VAL A 131 21.515 5.589 3.221 1.00 10.00 C ATOM 1674 CG1 VAL A 131 20.843 4.443 3.956 1.00 10.00 C ATOM 1675 CG2 VAL A 131 20.966 5.718 1.809 1.00 10.00 C ATOM 0 H VAL A 131 19.789 7.693 2.850 1.00 10.00 H new ATOM 0 HA VAL A 131 21.447 6.689 5.069 1.00 10.00 H new ATOM 0 HB VAL A 131 22.581 5.372 3.146 1.00 10.00 H new ATOM 0 HG11 VAL A 131 20.968 3.522 3.386 1.00 10.00 H new ATOM 0 HG12 VAL A 131 21.297 4.326 4.940 1.00 10.00 H new ATOM 0 HG13 VAL A 131 19.780 4.657 4.070 1.00 10.00 H new ATOM 0 HG21 VAL A 131 21.094 4.773 1.281 1.00 10.00 H new ATOM 0 HG22 VAL A 131 19.906 5.969 1.852 1.00 10.00 H new ATOM 0 HG23 VAL A 131 21.504 6.504 1.280 1.00 10.00 H new