USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 449 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 61 GLN : amide:sc= 0.913 X(o=2.1,f=1.8) USER MOD Set 1.2: A 108 THR OG1 : rot 96:sc= 1.16 USER MOD Set 2.1: A 103 THR OG1 : rot -10:sc= 0.466 USER MOD Set 2.2: A 105 GLN : amide:sc= 1.17 X(o=1.6,f=1.5) USER MOD Set 3.1: A 99 THR OG1 : rot 180:sc= 0.202 USER MOD Set 3.2: A 106 THR OG1 : rot -102:sc= 0.0731 USER MOD Set 4.1: A 68 SER OG : rot 141:sc=-0.00237 USER MOD Set 4.2: A 95 GLN :FLIP amide:sc=-0.00609 F(o=-0.95,f=-0.0085) USER MOD Set 5.1: A 56 GLN :FLIP amide:sc= -0.323 F(o=-1.9,f=-0.88) USER MOD Set 5.2: A 59 GLN :FLIP amide:sc= -0.554 F(o=-1.9,f=-0.88) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -150:sc= -0.618 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -2.91! C(o=-2.9!,f=-6!) USER MOD Single : A 78 MET CE :methyl -159:sc= -0.139 (180deg=-0.727) USER MOD Single : A 80 THR OG1 : rot 24:sc= 1.26 USER MOD Single : A 81 ASN : amide:sc= -0.464 K(o=-0.46,f=-2.1!) USER MOD Single : A 83 TYR OH : rot 48:sc= 1.26 USER MOD Single : A 89 ASN : amide:sc= -0.432 X(o=-0.43,f=0) USER MOD Single : A 93 GLN :FLIP amide:sc= 0 F(o=-1.8!,f=0) USER MOD Single : A 97 ASN :FLIP amide:sc= -1.1 F(o=-5.8!,f=-1.1) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 659 N GLU A 46 37.766 42.490 -28.660 1.00 65.21 N ATOM 660 CA GLU A 46 37.432 43.376 -27.556 1.00 41.54 C ATOM 661 C GLU A 46 38.680 44.119 -27.092 1.00 5.12 C ATOM 662 O GLU A 46 38.601 45.177 -26.462 1.00 43.23 O ATOM 663 CB GLU A 46 36.823 42.567 -26.407 1.00 55.55 C ATOM 664 CG GLU A 46 36.361 43.409 -25.229 1.00 14.53 C ATOM 665 CD GLU A 46 35.619 42.596 -24.193 1.00 0.14 C ATOM 666 OE1 GLU A 46 34.381 42.483 -24.296 1.00 65.32 O ATOM 667 OE2 GLU A 46 36.264 42.075 -23.262 1.00 5.55 O1- ATOM 0 HA GLU A 46 36.698 44.110 -27.889 1.00 41.54 H new ATOM 0 HB2 GLU A 46 35.975 41.998 -26.788 1.00 55.55 H new ATOM 0 HB3 GLU A 46 37.560 41.844 -26.056 1.00 55.55 H new ATOM 0 HG2 GLU A 46 37.225 43.883 -24.764 1.00 14.53 H new ATOM 0 HG3 GLU A 46 35.715 44.209 -25.590 1.00 14.53 H new ATOM 674 N THR A 47 39.827 43.558 -27.431 1.00 53.34 N ATOM 675 CA THR A 47 41.107 44.132 -27.068 1.00 11.21 C ATOM 676 C THR A 47 41.920 44.439 -28.335 1.00 2.33 C ATOM 677 O THR A 47 42.653 43.595 -28.854 1.00 31.14 O ATOM 678 CB THR A 47 41.868 43.206 -26.085 1.00 14.13 C ATOM 679 OG1 THR A 47 43.123 43.781 -25.710 1.00 60.32 O ATOM 680 CG2 THR A 47 42.085 41.808 -26.662 1.00 31.14 C ATOM 0 H THR A 47 39.896 42.692 -27.966 1.00 53.34 H new ATOM 0 HA THR A 47 40.945 45.074 -26.544 1.00 11.21 H new ATOM 0 HB THR A 47 41.243 43.106 -25.198 1.00 14.13 H new ATOM 0 HG1 THR A 47 43.585 43.181 -25.088 1.00 60.32 H new ATOM 0 HG21 THR A 47 42.622 41.195 -25.938 1.00 31.14 H new ATOM 0 HG22 THR A 47 41.120 41.351 -26.880 1.00 31.14 H new ATOM 0 HG23 THR A 47 42.668 41.880 -27.580 1.00 31.14 H new ATOM 688 N PRO A 48 41.726 45.646 -28.897 1.00 63.35 N ATOM 689 CA PRO A 48 42.300 46.034 -30.188 1.00 21.13 C ATOM 690 C PRO A 48 43.820 46.167 -30.169 1.00 23.22 C ATOM 691 O PRO A 48 44.358 47.217 -29.819 1.00 30.10 O ATOM 692 CB PRO A 48 41.657 47.399 -30.488 1.00 72.10 C ATOM 693 CG PRO A 48 40.539 47.539 -29.514 1.00 2.42 C ATOM 694 CD PRO A 48 40.936 46.737 -28.310 1.00 3.12 C ATOM 0 HA PRO A 48 42.099 45.270 -30.940 1.00 21.13 H new ATOM 0 HB2 PRO A 48 42.380 48.206 -30.373 1.00 72.10 H new ATOM 0 HB3 PRO A 48 41.291 47.443 -31.514 1.00 72.10 H new ATOM 0 HG2 PRO A 48 40.380 48.585 -29.251 1.00 2.42 H new ATOM 0 HG3 PRO A 48 39.604 47.171 -29.937 1.00 2.42 H new ATOM 0 HD2 PRO A 48 41.521 47.327 -27.605 1.00 3.12 H new ATOM 0 HD3 PRO A 48 40.068 46.362 -27.768 1.00 3.12 H new ATOM 702 N SER A 49 44.503 45.092 -30.530 1.00 1.52 N ATOM 703 CA SER A 49 45.948 45.133 -30.705 1.00 71.45 C ATOM 704 C SER A 49 46.311 45.112 -32.190 1.00 5.40 C ATOM 705 O SER A 49 46.761 46.115 -32.742 1.00 55.33 O ATOM 706 CB SER A 49 46.607 43.959 -29.981 1.00 4.01 C ATOM 707 OG SER A 49 46.416 44.051 -28.582 1.00 52.25 O ATOM 0 H SER A 49 44.081 44.180 -30.708 1.00 1.52 H new ATOM 0 HA SER A 49 46.319 46.062 -30.272 1.00 71.45 H new ATOM 0 HB2 SER A 49 46.189 43.021 -30.347 1.00 4.01 H new ATOM 0 HB3 SER A 49 47.674 43.942 -30.205 1.00 4.01 H new ATOM 0 HG SER A 49 46.845 43.288 -28.142 1.00 52.25 H new ATOM 713 N ALA A 50 46.086 43.974 -32.837 1.00 4.34 N ATOM 714 CA ALA A 50 46.426 43.807 -34.246 1.00 71.23 C ATOM 715 C ALA A 50 45.608 44.734 -35.144 1.00 52.43 C ATOM 716 O ALA A 50 46.123 45.288 -36.118 1.00 63.35 O ATOM 717 CB ALA A 50 46.217 42.361 -34.662 1.00 52.42 C ATOM 0 H ALA A 50 45.668 43.150 -32.406 1.00 4.34 H new ATOM 0 HA ALA A 50 47.476 44.074 -34.367 1.00 71.23 H new ATOM 0 HB1 ALA A 50 46.473 42.245 -35.715 1.00 52.42 H new ATOM 0 HB2 ALA A 50 46.854 41.713 -34.060 1.00 52.42 H new ATOM 0 HB3 ALA A 50 45.173 42.086 -34.510 1.00 52.42 H new ATOM 723 N LEU A 51 44.341 44.911 -34.801 1.00 14.24 N ATOM 724 CA LEU A 51 43.422 45.690 -35.623 1.00 65.24 C ATOM 725 C LEU A 51 43.324 47.137 -35.143 1.00 54.11 C ATOM 726 O LEU A 51 42.452 47.885 -35.588 1.00 73.42 O ATOM 727 CB LEU A 51 42.042 45.016 -35.629 1.00 34.13 C ATOM 728 CG LEU A 51 41.490 44.623 -34.252 1.00 14.14 C ATOM 729 CD1 LEU A 51 40.831 45.806 -33.559 1.00 42.24 C ATOM 730 CD2 LEU A 51 40.509 43.467 -34.382 1.00 32.32 C ATOM 0 H LEU A 51 43.922 44.524 -33.955 1.00 14.24 H new ATOM 0 HA LEU A 51 43.810 45.720 -36.641 1.00 65.24 H new ATOM 0 HB2 LEU A 51 41.331 45.690 -36.107 1.00 34.13 H new ATOM 0 HB3 LEU A 51 42.098 44.120 -36.247 1.00 34.13 H new ATOM 0 HG LEU A 51 42.330 44.302 -33.636 1.00 14.14 H new ATOM 0 HD11 LEU A 51 40.451 45.493 -32.587 1.00 42.24 H new ATOM 0 HD12 LEU A 51 41.563 46.602 -33.423 1.00 42.24 H new ATOM 0 HD13 LEU A 51 40.006 46.172 -34.170 1.00 42.24 H new ATOM 0 HD21 LEU A 51 40.127 43.201 -33.396 1.00 32.32 H new ATOM 0 HD22 LEU A 51 39.680 43.764 -35.024 1.00 32.32 H new ATOM 0 HD23 LEU A 51 41.016 42.607 -34.819 1.00 32.32 H new ATOM 742 N ASP A 52 44.233 47.536 -34.254 1.00 2.23 N ATOM 743 CA ASP A 52 44.215 48.889 -33.692 1.00 12.25 C ATOM 744 C ASP A 52 44.294 49.941 -34.791 1.00 34.31 C ATOM 745 O ASP A 52 43.560 50.927 -34.776 1.00 33.15 O ATOM 746 CB ASP A 52 45.370 49.090 -32.709 1.00 5.20 C ATOM 747 CG ASP A 52 45.465 50.524 -32.218 1.00 62.52 C ATOM 748 OD1 ASP A 52 46.246 51.305 -32.797 1.00 12.41 O ATOM 749 OD2 ASP A 52 44.747 50.880 -31.261 1.00 63.02 O1- ATOM 0 H ASP A 52 44.989 46.945 -33.908 1.00 2.23 H new ATOM 0 HA ASP A 52 43.271 49.006 -33.159 1.00 12.25 H new ATOM 0 HB2 ASP A 52 45.239 48.424 -31.856 1.00 5.20 H new ATOM 0 HB3 ASP A 52 46.307 48.810 -33.190 1.00 5.20 H new ATOM 754 N ASN A 53 45.160 49.705 -35.764 1.00 61.25 N ATOM 755 CA ASN A 53 45.373 50.664 -36.847 1.00 42.12 C ATOM 756 C ASN A 53 44.414 50.410 -38.005 1.00 63.01 C ATOM 757 O ASN A 53 44.607 50.916 -39.108 1.00 23.25 O ATOM 758 CB ASN A 53 46.822 50.610 -37.341 1.00 44.53 C ATOM 759 CG ASN A 53 47.785 51.309 -36.399 1.00 73.01 C ATOM 760 OD1 ASN A 53 48.023 52.511 -36.520 1.00 72.42 O ATOM 761 ND2 ASN A 53 48.356 50.563 -35.465 1.00 31.23 N ATOM 0 H ASN A 53 45.728 48.860 -35.830 1.00 61.25 H new ATOM 0 HA ASN A 53 45.174 51.660 -36.451 1.00 42.12 H new ATOM 0 HB2 ASN A 53 47.124 49.569 -37.457 1.00 44.53 H new ATOM 0 HB3 ASN A 53 46.884 51.072 -38.326 1.00 44.53 H new ATOM 0 HD21 ASN A 53 49.020 50.981 -34.813 1.00 31.23 H new ATOM 0 HD22 ASN A 53 48.132 49.570 -35.398 1.00 31.23 H new ATOM 768 N PHE A 54 43.372 49.636 -37.743 1.00 22.14 N ATOM 769 CA PHE A 54 42.394 49.307 -38.765 1.00 43.23 C ATOM 770 C PHE A 54 40.995 49.727 -38.322 1.00 0.30 C ATOM 771 O PHE A 54 40.394 50.627 -38.906 1.00 51.31 O ATOM 772 CB PHE A 54 42.435 47.804 -39.064 1.00 64.13 C ATOM 773 CG PHE A 54 41.568 47.386 -40.217 1.00 32.43 C ATOM 774 CD1 PHE A 54 40.302 46.869 -39.997 1.00 20.25 C ATOM 775 CD2 PHE A 54 42.022 47.506 -41.520 1.00 52.44 C ATOM 776 CE1 PHE A 54 39.506 46.480 -41.055 1.00 74.25 C ATOM 777 CE2 PHE A 54 41.230 47.118 -42.582 1.00 41.13 C ATOM 778 CZ PHE A 54 39.969 46.604 -42.349 1.00 1.54 C ATOM 0 H PHE A 54 43.183 49.224 -36.829 1.00 22.14 H new ATOM 0 HA PHE A 54 42.641 49.853 -39.676 1.00 43.23 H new ATOM 0 HB2 PHE A 54 43.465 47.514 -39.273 1.00 64.13 H new ATOM 0 HB3 PHE A 54 42.125 47.258 -38.173 1.00 64.13 H new ATOM 0 HD1 PHE A 54 39.934 46.769 -38.987 1.00 20.25 H new ATOM 0 HD2 PHE A 54 43.007 47.908 -41.707 1.00 52.44 H new ATOM 0 HE1 PHE A 54 38.521 46.078 -40.870 1.00 74.25 H new ATOM 0 HE2 PHE A 54 41.596 47.216 -43.593 1.00 41.13 H new ATOM 0 HZ PHE A 54 39.347 46.300 -43.178 1.00 1.54 H new ATOM 788 N THR A 55 40.500 49.099 -37.266 1.00 75.41 N ATOM 789 CA THR A 55 39.141 49.332 -36.794 1.00 62.12 C ATOM 790 C THR A 55 38.968 50.757 -36.253 1.00 21.25 C ATOM 791 O THR A 55 37.877 51.326 -36.311 1.00 1.24 O ATOM 792 CB THR A 55 38.771 48.308 -35.705 1.00 4.21 C ATOM 793 OG1 THR A 55 39.144 46.996 -36.145 1.00 21.43 O ATOM 794 CG2 THR A 55 37.279 48.335 -35.402 1.00 4.31 C ATOM 0 H THR A 55 41.023 48.418 -36.715 1.00 75.41 H new ATOM 0 HA THR A 55 38.471 49.212 -37.645 1.00 62.12 H new ATOM 0 HB THR A 55 39.307 48.568 -34.793 1.00 4.21 H new ATOM 0 HG1 THR A 55 38.538 46.334 -35.752 1.00 21.43 H new ATOM 0 HG21 THR A 55 37.051 47.601 -34.629 1.00 4.31 H new ATOM 0 HG22 THR A 55 36.996 49.328 -35.053 1.00 4.31 H new ATOM 0 HG23 THR A 55 36.720 48.095 -36.306 1.00 4.31 H new ATOM 802 N GLN A 56 40.052 51.339 -35.752 1.00 32.54 N ATOM 803 CA GLN A 56 40.002 52.697 -35.223 1.00 40.22 C ATOM 804 C GLN A 56 39.796 53.708 -36.344 1.00 42.31 C ATOM 805 O GLN A 56 39.182 54.754 -36.144 1.00 33.50 O ATOM 806 CB GLN A 56 41.270 53.026 -34.430 1.00 24.31 C ATOM 807 CG GLN A 56 41.122 52.807 -32.930 1.00 3.12 C ATOM 808 CD GLN A 56 40.805 51.371 -32.563 1.00 23.51 C ATOM 809 OE1 GLN A 56 41.833 50.603 -32.235 1.00 22.43 O flip ATOM 810 NE2 GLN A 56 39.645 50.961 -32.550 1.00 51.20 N flip ATOM 0 H GLN A 56 40.969 50.896 -35.701 1.00 32.54 H new ATOM 0 HA GLN A 56 39.152 52.759 -34.544 1.00 40.22 H new ATOM 0 HB2 GLN A 56 42.090 52.411 -34.800 1.00 24.31 H new ATOM 0 HB3 GLN A 56 41.544 54.065 -34.612 1.00 24.31 H new ATOM 0 HG2 GLN A 56 42.045 53.107 -32.433 1.00 3.12 H new ATOM 0 HG3 GLN A 56 40.331 53.455 -32.551 1.00 3.12 H new ATOM 0 HE21 GLN A 56 38.881 51.585 -32.810 1.00 51.20 H new ATOM 0 HE22 GLN A 56 39.448 49.998 -32.280 1.00 51.20 H new ATOM 819 N ALA A 57 40.283 53.377 -37.532 1.00 43.12 N ATOM 820 CA ALA A 57 40.090 54.230 -38.694 1.00 74.22 C ATOM 821 C ALA A 57 38.651 54.137 -39.178 1.00 13.44 C ATOM 822 O ALA A 57 38.116 55.071 -39.778 1.00 44.41 O ATOM 823 CB ALA A 57 41.057 53.841 -39.803 1.00 32.32 C ATOM 0 H ALA A 57 40.814 52.525 -37.715 1.00 43.12 H new ATOM 0 HA ALA A 57 40.293 55.263 -38.411 1.00 74.22 H new ATOM 0 HB1 ALA A 57 40.900 54.488 -40.666 1.00 32.32 H new ATOM 0 HB2 ALA A 57 42.082 53.951 -39.448 1.00 32.32 H new ATOM 0 HB3 ALA A 57 40.883 52.804 -40.091 1.00 32.32 H new ATOM 829 N ILE A 58 38.022 53.004 -38.885 1.00 52.41 N ATOM 830 CA ILE A 58 36.644 52.763 -39.284 1.00 43.42 C ATOM 831 C ILE A 58 35.688 53.628 -38.464 1.00 42.32 C ATOM 832 O ILE A 58 34.599 53.962 -38.918 1.00 2.22 O ATOM 833 CB ILE A 58 36.263 51.276 -39.115 1.00 4.31 C ATOM 834 CG1 ILE A 58 37.321 50.375 -39.757 1.00 33.32 C ATOM 835 CG2 ILE A 58 34.893 51.001 -39.722 1.00 22.11 C ATOM 836 CD1 ILE A 58 36.935 48.912 -39.794 1.00 75.03 C ATOM 0 H ILE A 58 38.450 52.235 -38.369 1.00 52.41 H new ATOM 0 HA ILE A 58 36.558 53.028 -40.338 1.00 43.42 H new ATOM 0 HB ILE A 58 36.219 51.053 -38.049 1.00 4.31 H new ATOM 0 HG12 ILE A 58 37.508 50.718 -40.775 1.00 33.32 H new ATOM 0 HG13 ILE A 58 38.257 50.481 -39.208 1.00 33.32 H new ATOM 0 HG21 ILE A 58 34.643 49.948 -39.593 1.00 22.11 H new ATOM 0 HG22 ILE A 58 34.144 51.616 -39.223 1.00 22.11 H new ATOM 0 HG23 ILE A 58 34.911 51.242 -40.785 1.00 22.11 H new ATOM 0 HD11 ILE A 58 37.733 48.337 -40.263 1.00 75.03 H new ATOM 0 HD12 ILE A 58 36.777 48.552 -38.778 1.00 75.03 H new ATOM 0 HD13 ILE A 58 36.016 48.792 -40.368 1.00 75.03 H new ATOM 848 N GLN A 59 36.113 54.012 -37.264 1.00 20.32 N ATOM 849 CA GLN A 59 35.289 54.843 -36.390 1.00 43.14 C ATOM 850 C GLN A 59 34.860 56.126 -37.104 1.00 30.01 C ATOM 851 O GLN A 59 33.749 56.614 -36.902 1.00 22.32 O ATOM 852 CB GLN A 59 36.038 55.188 -35.101 1.00 0.24 C ATOM 853 CG GLN A 59 36.343 53.977 -34.232 1.00 33.03 C ATOM 854 CD GLN A 59 37.029 54.344 -32.931 1.00 32.54 C ATOM 855 OE1 GLN A 59 37.843 53.437 -32.417 1.00 24.13 O flip ATOM 856 NE2 GLN A 59 36.824 55.431 -32.385 1.00 51.23 N flip ATOM 0 H GLN A 59 37.022 53.762 -36.874 1.00 20.32 H new ATOM 0 HA GLN A 59 34.397 54.272 -36.133 1.00 43.14 H new ATOM 0 HB2 GLN A 59 36.973 55.687 -35.356 1.00 0.24 H new ATOM 0 HB3 GLN A 59 35.445 55.898 -34.525 1.00 0.24 H new ATOM 0 HG2 GLN A 59 35.414 53.451 -34.012 1.00 33.03 H new ATOM 0 HG3 GLN A 59 36.976 53.286 -34.789 1.00 33.03 H new ATOM 0 HE21 GLN A 59 36.189 56.105 -32.813 1.00 51.23 H new ATOM 0 HE22 GLN A 59 37.290 55.656 -31.506 1.00 51.23 H new ATOM 865 N SER A 60 35.737 56.642 -37.962 1.00 51.04 N ATOM 866 CA SER A 60 35.460 57.860 -38.719 1.00 11.41 C ATOM 867 C SER A 60 34.261 57.670 -39.651 1.00 54.31 C ATOM 868 O SER A 60 33.339 58.488 -39.663 1.00 71.15 O ATOM 869 CB SER A 60 36.702 58.273 -39.522 1.00 73.34 C ATOM 870 OG SER A 60 36.493 59.487 -40.230 1.00 3.51 O ATOM 0 H SER A 60 36.652 56.232 -38.151 1.00 51.04 H new ATOM 0 HA SER A 60 35.213 58.653 -38.013 1.00 11.41 H new ATOM 0 HB2 SER A 60 37.550 58.387 -38.847 1.00 73.34 H new ATOM 0 HB3 SER A 60 36.960 57.482 -40.226 1.00 73.34 H new ATOM 0 HG SER A 60 37.305 59.719 -40.728 1.00 3.51 H new ATOM 876 N GLN A 61 34.258 56.583 -40.418 1.00 30.10 N ATOM 877 CA GLN A 61 33.198 56.362 -41.399 1.00 24.42 C ATOM 878 C GLN A 61 31.891 55.970 -40.715 1.00 14.32 C ATOM 879 O GLN A 61 30.812 56.206 -41.253 1.00 1.12 O ATOM 880 CB GLN A 61 33.608 55.301 -42.431 1.00 64.21 C ATOM 881 CG GLN A 61 33.939 53.946 -41.834 1.00 32.32 C ATOM 882 CD GLN A 61 34.331 52.925 -42.885 1.00 64.01 C ATOM 883 OE1 GLN A 61 33.489 52.194 -43.400 1.00 52.54 O ATOM 884 NE2 GLN A 61 35.613 52.876 -43.215 1.00 61.52 N ATOM 0 H GLN A 61 34.967 55.850 -40.381 1.00 30.10 H new ATOM 0 HA GLN A 61 33.037 57.302 -41.927 1.00 24.42 H new ATOM 0 HB2 GLN A 61 32.799 55.180 -43.152 1.00 64.21 H new ATOM 0 HB3 GLN A 61 34.475 55.664 -42.983 1.00 64.21 H new ATOM 0 HG2 GLN A 61 34.754 54.057 -41.119 1.00 32.32 H new ATOM 0 HG3 GLN A 61 33.077 53.577 -41.279 1.00 32.32 H new ATOM 0 HE21 GLN A 61 36.280 53.501 -42.763 1.00 61.52 H new ATOM 0 HE22 GLN A 61 35.933 52.213 -43.921 1.00 61.52 H new ATOM 893 N ILE A 62 31.993 55.402 -39.518 1.00 25.21 N ATOM 894 CA ILE A 62 30.812 54.999 -38.771 1.00 60.23 C ATOM 895 C ILE A 62 30.149 56.219 -38.145 1.00 4.22 C ATOM 896 O ILE A 62 28.988 56.512 -38.411 1.00 73.53 O ATOM 897 CB ILE A 62 31.158 53.984 -37.657 1.00 31.41 C ATOM 898 CG1 ILE A 62 31.797 52.724 -38.249 1.00 75.12 C ATOM 899 CG2 ILE A 62 29.914 53.620 -36.858 1.00 11.33 C ATOM 900 CD1 ILE A 62 32.247 51.728 -37.202 1.00 54.33 C ATOM 0 H ILE A 62 32.878 55.212 -39.048 1.00 25.21 H new ATOM 0 HA ILE A 62 30.130 54.520 -39.473 1.00 60.23 H new ATOM 0 HB ILE A 62 31.878 54.452 -36.985 1.00 31.41 H new ATOM 0 HG12 ILE A 62 31.081 52.241 -38.915 1.00 75.12 H new ATOM 0 HG13 ILE A 62 32.654 53.012 -38.857 1.00 75.12 H new ATOM 0 HG21 ILE A 62 30.178 52.905 -36.079 1.00 11.33 H new ATOM 0 HG22 ILE A 62 29.500 54.518 -36.400 1.00 11.33 H new ATOM 0 HG23 ILE A 62 29.172 53.176 -37.522 1.00 11.33 H new ATOM 0 HD11 ILE A 62 32.690 50.861 -37.692 1.00 54.33 H new ATOM 0 HD12 ILE A 62 32.986 52.194 -36.551 1.00 54.33 H new ATOM 0 HD13 ILE A 62 31.389 51.411 -36.609 1.00 54.33 H new ATOM 912 N LEU A 63 30.913 56.949 -37.345 1.00 64.35 N ATOM 913 CA LEU A 63 30.387 58.091 -36.607 1.00 53.53 C ATOM 914 C LEU A 63 29.870 59.179 -37.545 1.00 34.31 C ATOM 915 O LEU A 63 28.903 59.872 -37.228 1.00 74.53 O ATOM 916 CB LEU A 63 31.463 58.659 -35.682 1.00 24.15 C ATOM 917 CG LEU A 63 31.921 57.715 -34.569 1.00 14.34 C ATOM 918 CD1 LEU A 63 32.981 58.377 -33.708 1.00 52.54 C ATOM 919 CD2 LEU A 63 30.739 57.282 -33.714 1.00 61.01 C ATOM 0 H LEU A 63 31.905 56.770 -37.189 1.00 64.35 H new ATOM 0 HA LEU A 63 29.545 57.742 -36.009 1.00 53.53 H new ATOM 0 HB2 LEU A 63 32.329 58.935 -36.283 1.00 24.15 H new ATOM 0 HB3 LEU A 63 31.085 59.575 -35.228 1.00 24.15 H new ATOM 0 HG LEU A 63 32.356 56.829 -35.032 1.00 14.34 H new ATOM 0 HD11 LEU A 63 33.293 57.689 -32.922 1.00 52.54 H new ATOM 0 HD12 LEU A 63 33.841 58.637 -34.325 1.00 52.54 H new ATOM 0 HD13 LEU A 63 32.571 59.281 -33.257 1.00 52.54 H new ATOM 0 HD21 LEU A 63 31.085 56.611 -32.928 1.00 61.01 H new ATOM 0 HD22 LEU A 63 30.275 58.159 -33.264 1.00 61.01 H new ATOM 0 HD23 LEU A 63 30.009 56.765 -34.337 1.00 61.01 H new ATOM 931 N GLY A 64 30.507 59.319 -38.699 1.00 54.14 N ATOM 932 CA GLY A 64 30.077 60.314 -39.660 1.00 43.53 C ATOM 933 C GLY A 64 28.841 59.882 -40.428 1.00 42.50 C ATOM 934 O GLY A 64 28.083 60.719 -40.922 1.00 45.41 O ATOM 0 H GLY A 64 31.312 58.763 -38.986 1.00 54.14 H new ATOM 0 HA2 GLY A 64 29.870 61.250 -39.141 1.00 43.53 H new ATOM 0 HA3 GLY A 64 30.887 60.511 -40.362 1.00 43.53 H new ATOM 938 N GLY A 65 28.629 58.574 -40.514 1.00 25.24 N ATOM 939 CA GLY A 65 27.525 58.045 -41.291 1.00 5.50 C ATOM 940 C GLY A 65 26.285 57.794 -40.457 1.00 33.53 C ATOM 941 O GLY A 65 25.176 57.741 -40.992 1.00 11.34 O ATOM 0 H GLY A 65 29.205 57.868 -40.057 1.00 25.24 H new ATOM 0 HA2 GLY A 65 27.283 58.744 -42.092 1.00 5.50 H new ATOM 0 HA3 GLY A 65 27.834 57.113 -41.764 1.00 5.50 H new ATOM 945 N LEU A 66 26.472 57.666 -39.144 1.00 53.33 N ATOM 946 CA LEU A 66 25.377 57.340 -38.225 1.00 72.23 C ATOM 947 C LEU A 66 24.253 58.373 -38.267 1.00 34.12 C ATOM 948 O LEU A 66 23.153 58.113 -37.784 1.00 33.03 O ATOM 949 CB LEU A 66 25.893 57.206 -36.789 1.00 31.31 C ATOM 950 CG LEU A 66 26.756 55.972 -36.518 1.00 64.21 C ATOM 951 CD1 LEU A 66 27.236 55.961 -35.074 1.00 22.03 C ATOM 952 CD2 LEU A 66 25.985 54.698 -36.831 1.00 65.03 C ATOM 0 H LEU A 66 27.377 57.784 -38.688 1.00 53.33 H new ATOM 0 HA LEU A 66 24.968 56.386 -38.558 1.00 72.23 H new ATOM 0 HB2 LEU A 66 26.473 58.096 -36.544 1.00 31.31 H new ATOM 0 HB3 LEU A 66 25.038 57.187 -36.113 1.00 31.31 H new ATOM 0 HG LEU A 66 27.627 56.016 -37.171 1.00 64.21 H new ATOM 0 HD11 LEU A 66 27.848 55.076 -34.901 1.00 22.03 H new ATOM 0 HD12 LEU A 66 27.828 56.855 -34.881 1.00 22.03 H new ATOM 0 HD13 LEU A 66 26.376 55.944 -34.405 1.00 22.03 H new ATOM 0 HD21 LEU A 66 26.617 53.832 -36.632 1.00 65.03 H new ATOM 0 HD22 LEU A 66 25.094 54.649 -36.205 1.00 65.03 H new ATOM 0 HD23 LEU A 66 25.692 54.699 -37.881 1.00 65.03 H new ATOM 964 N LEU A 67 24.525 59.540 -38.839 1.00 53.21 N ATOM 965 CA LEU A 67 23.506 60.573 -38.972 1.00 64.45 C ATOM 966 C LEU A 67 22.318 60.042 -39.776 1.00 60.43 C ATOM 967 O LEU A 67 21.160 60.259 -39.416 1.00 44.24 O ATOM 968 CB LEU A 67 24.090 61.816 -39.647 1.00 51.43 C ATOM 969 CG LEU A 67 25.273 62.461 -38.921 1.00 3.00 C ATOM 970 CD1 LEU A 67 25.760 63.681 -39.682 1.00 70.32 C ATOM 971 CD2 LEU A 67 24.893 62.838 -37.498 1.00 22.21 C ATOM 0 H LEU A 67 25.438 59.794 -39.216 1.00 53.21 H new ATOM 0 HA LEU A 67 23.160 60.850 -37.976 1.00 64.45 H new ATOM 0 HB2 LEU A 67 24.407 61.547 -40.655 1.00 51.43 H new ATOM 0 HB3 LEU A 67 23.299 62.559 -39.749 1.00 51.43 H new ATOM 0 HG LEU A 67 26.083 61.734 -38.875 1.00 3.00 H new ATOM 0 HD11 LEU A 67 26.601 64.128 -39.153 1.00 70.32 H new ATOM 0 HD12 LEU A 67 26.077 63.384 -40.682 1.00 70.32 H new ATOM 0 HD13 LEU A 67 24.952 64.408 -39.759 1.00 70.32 H new ATOM 0 HD21 LEU A 67 25.749 63.295 -37.002 1.00 22.21 H new ATOM 0 HD22 LEU A 67 24.065 63.547 -37.518 1.00 22.21 H new ATOM 0 HD23 LEU A 67 24.592 61.944 -36.953 1.00 22.21 H new ATOM 983 N SER A 68 22.620 59.305 -40.837 1.00 40.32 N ATOM 984 CA SER A 68 21.596 58.747 -41.708 1.00 11.31 C ATOM 985 C SER A 68 20.859 57.601 -41.013 1.00 75.02 C ATOM 986 O SER A 68 19.706 57.301 -41.329 1.00 75.11 O ATOM 987 CB SER A 68 22.242 58.253 -43.005 1.00 0.14 C ATOM 988 OG SER A 68 23.007 59.281 -43.616 1.00 4.11 O ATOM 0 H SER A 68 23.575 59.079 -41.116 1.00 40.32 H new ATOM 0 HA SER A 68 20.869 59.525 -41.940 1.00 11.31 H new ATOM 0 HB2 SER A 68 22.881 57.396 -42.794 1.00 0.14 H new ATOM 0 HB3 SER A 68 21.469 57.912 -43.694 1.00 0.14 H new ATOM 0 HG SER A 68 23.829 58.899 -43.990 1.00 4.11 H new ATOM 994 N ASN A 69 21.528 56.982 -40.054 1.00 22.22 N ATOM 995 CA ASN A 69 20.976 55.834 -39.340 1.00 3.21 C ATOM 996 C ASN A 69 20.014 56.280 -38.243 1.00 33.23 C ATOM 997 O ASN A 69 19.149 55.515 -37.813 1.00 41.32 O ATOM 998 CB ASN A 69 22.101 55.008 -38.710 1.00 53.44 C ATOM 999 CG ASN A 69 23.092 54.481 -39.729 1.00 25.14 C ATOM 1000 OD1 ASN A 69 24.029 55.175 -40.112 1.00 41.35 O ATOM 1001 ND2 ASN A 69 22.905 53.246 -40.161 1.00 2.13 N ATOM 0 H ASN A 69 22.462 57.255 -39.748 1.00 22.22 H new ATOM 0 HA ASN A 69 20.432 55.226 -40.063 1.00 3.21 H new ATOM 0 HB2 ASN A 69 22.630 55.622 -37.981 1.00 53.44 H new ATOM 0 HB3 ASN A 69 21.667 54.169 -38.166 1.00 53.44 H new ATOM 0 HD21 ASN A 69 23.552 52.839 -40.836 1.00 2.13 H new ATOM 0 HD22 ASN A 69 22.114 52.700 -39.819 1.00 2.13 H new ATOM 1008 N ILE A 70 20.168 57.518 -37.791 1.00 71.41 N ATOM 1009 CA ILE A 70 19.392 58.019 -36.661 1.00 54.25 C ATOM 1010 C ILE A 70 18.219 58.890 -37.108 1.00 15.54 C ATOM 1011 O ILE A 70 17.143 58.827 -36.519 1.00 23.53 O ATOM 1012 CB ILE A 70 20.285 58.826 -35.686 1.00 3.10 C ATOM 1013 CG1 ILE A 70 21.426 57.951 -35.150 1.00 23.53 C ATOM 1014 CG2 ILE A 70 19.464 59.392 -34.532 1.00 12.32 C ATOM 1015 CD1 ILE A 70 20.961 56.712 -34.413 1.00 42.43 C ATOM 0 H ILE A 70 20.821 58.193 -38.188 1.00 71.41 H new ATOM 0 HA ILE A 70 18.993 57.143 -36.149 1.00 54.25 H new ATOM 0 HB ILE A 70 20.716 59.661 -36.239 1.00 3.10 H new ATOM 0 HG12 ILE A 70 22.060 57.648 -35.984 1.00 23.53 H new ATOM 0 HG13 ILE A 70 22.044 58.549 -34.480 1.00 23.53 H new ATOM 0 HG21 ILE A 70 20.116 59.954 -33.863 1.00 12.32 H new ATOM 0 HG22 ILE A 70 18.691 60.053 -34.925 1.00 12.32 H new ATOM 0 HG23 ILE A 70 18.997 58.575 -33.982 1.00 12.32 H new ATOM 0 HD11 ILE A 70 21.827 56.148 -34.066 1.00 42.43 H new ATOM 0 HD12 ILE A 70 20.352 57.005 -33.557 1.00 42.43 H new ATOM 0 HD13 ILE A 70 20.368 56.090 -35.084 1.00 42.43 H new ATOM 1129 N MET A 78 18.605 46.017 -39.024 1.00 12.00 N ATOM 1130 CA MET A 78 18.751 44.601 -38.711 1.00 2.03 C ATOM 1131 C MET A 78 19.790 44.394 -37.619 1.00 70.13 C ATOM 1132 O MET A 78 20.994 44.490 -37.856 1.00 44.34 O ATOM 1133 CB MET A 78 19.138 43.807 -39.963 1.00 63.14 C ATOM 1134 CG MET A 78 19.321 42.317 -39.709 1.00 52.15 C ATOM 1135 SD MET A 78 19.793 41.407 -41.195 1.00 73.31 S ATOM 1136 CE MET A 78 18.385 41.734 -42.253 1.00 35.54 C ATOM 0 HA MET A 78 17.790 44.236 -38.349 1.00 2.03 H new ATOM 0 HB2 MET A 78 18.369 43.945 -40.723 1.00 63.14 H new ATOM 0 HB3 MET A 78 20.064 44.214 -40.369 1.00 63.14 H new ATOM 0 HG2 MET A 78 20.084 42.175 -38.944 1.00 52.15 H new ATOM 0 HG3 MET A 78 18.393 41.904 -39.315 1.00 52.15 H new ATOM 0 HE1 MET A 78 18.331 40.974 -43.032 1.00 35.54 H new ATOM 0 HE2 MET A 78 17.471 41.711 -41.660 1.00 35.54 H new ATOM 0 HE3 MET A 78 18.495 42.717 -42.712 1.00 35.54 H new ATOM 1146 N VAL A 79 19.319 44.109 -36.416 1.00 63.22 N ATOM 1147 CA VAL A 79 20.206 43.878 -35.294 1.00 53.31 C ATOM 1148 C VAL A 79 20.270 42.392 -34.965 1.00 34.33 C ATOM 1149 O VAL A 79 19.314 41.819 -34.437 1.00 23.05 O ATOM 1150 CB VAL A 79 19.759 44.660 -34.039 1.00 51.15 C ATOM 1151 CG1 VAL A 79 20.737 44.441 -32.894 1.00 62.34 C ATOM 1152 CG2 VAL A 79 19.620 46.144 -34.348 1.00 20.14 C ATOM 0 H VAL A 79 18.326 44.033 -36.194 1.00 63.22 H new ATOM 0 HA VAL A 79 21.194 44.234 -35.586 1.00 53.31 H new ATOM 0 HB VAL A 79 18.783 44.283 -33.734 1.00 51.15 H new ATOM 0 HG11 VAL A 79 20.404 45.000 -32.019 1.00 62.34 H new ATOM 0 HG12 VAL A 79 20.781 43.379 -32.651 1.00 62.34 H new ATOM 0 HG13 VAL A 79 21.727 44.786 -33.190 1.00 62.34 H new ATOM 0 HG21 VAL A 79 19.304 46.675 -33.450 1.00 20.14 H new ATOM 0 HG22 VAL A 79 20.580 46.537 -34.683 1.00 20.14 H new ATOM 0 HG23 VAL A 79 18.876 46.284 -35.132 1.00 20.14 H new ATOM 1162 N THR A 80 21.387 41.769 -35.310 1.00 24.24 N ATOM 1163 CA THR A 80 21.625 40.379 -34.969 1.00 43.31 C ATOM 1164 C THR A 80 22.966 40.234 -34.259 1.00 22.22 C ATOM 1165 O THR A 80 23.827 41.104 -34.369 1.00 20.53 O ATOM 1166 CB THR A 80 21.576 39.463 -36.215 1.00 4.42 C ATOM 1167 OG1 THR A 80 22.329 40.030 -37.295 1.00 23.43 O ATOM 1168 CG2 THR A 80 20.142 39.235 -36.667 1.00 23.11 C ATOM 0 H THR A 80 22.146 42.210 -35.829 1.00 24.24 H new ATOM 0 HA THR A 80 20.826 40.063 -34.298 1.00 43.31 H new ATOM 0 HB THR A 80 22.017 38.506 -35.935 1.00 4.42 H new ATOM 0 HG1 THR A 80 23.000 40.648 -36.937 1.00 23.43 H new ATOM 0 HG21 THR A 80 20.136 38.588 -37.544 1.00 23.11 H new ATOM 0 HG22 THR A 80 19.578 38.762 -35.863 1.00 23.11 H new ATOM 0 HG23 THR A 80 19.683 40.191 -36.918 1.00 23.11 H new ATOM 1176 N ASN A 81 23.130 39.141 -33.529 1.00 12.13 N ATOM 1177 CA ASN A 81 24.335 38.911 -32.732 1.00 13.33 C ATOM 1178 C ASN A 81 25.569 38.813 -33.625 1.00 53.52 C ATOM 1179 O ASN A 81 26.593 39.437 -33.354 1.00 72.31 O ATOM 1180 CB ASN A 81 24.174 37.623 -31.908 1.00 31.34 C ATOM 1181 CG ASN A 81 25.293 37.391 -30.898 1.00 23.22 C ATOM 1182 OD1 ASN A 81 26.436 37.797 -31.092 1.00 55.05 O ATOM 1183 ND2 ASN A 81 24.964 36.720 -29.804 1.00 51.02 N ATOM 0 H ASN A 81 22.440 38.392 -33.469 1.00 12.13 H new ATOM 0 HA ASN A 81 24.471 39.757 -32.058 1.00 13.33 H new ATOM 0 HB2 ASN A 81 23.222 37.659 -31.379 1.00 31.34 H new ATOM 0 HB3 ASN A 81 24.129 36.772 -32.588 1.00 31.34 H new ATOM 0 HD21 ASN A 81 25.669 36.527 -29.093 1.00 51.02 H new ATOM 0 HD22 ASN A 81 24.006 36.397 -29.673 1.00 51.02 H new ATOM 1190 N ASP A 82 25.458 38.047 -34.702 1.00 32.11 N ATOM 1191 CA ASP A 82 26.612 37.754 -35.543 1.00 24.13 C ATOM 1192 C ASP A 82 26.967 38.925 -36.462 1.00 61.51 C ATOM 1193 O ASP A 82 28.119 39.080 -36.856 1.00 75.51 O ATOM 1194 CB ASP A 82 26.364 36.490 -36.365 1.00 23.52 C ATOM 1195 CG ASP A 82 27.633 35.960 -36.999 1.00 72.21 C ATOM 1196 OD1 ASP A 82 28.609 35.706 -36.262 1.00 63.25 O ATOM 1197 OD2 ASP A 82 27.648 35.761 -38.231 1.00 30.43 O1- ATOM 0 H ASP A 82 24.586 37.619 -35.013 1.00 32.11 H new ATOM 0 HA ASP A 82 27.463 37.590 -34.881 1.00 24.13 H new ATOM 0 HB2 ASP A 82 25.932 35.721 -35.724 1.00 23.52 H new ATOM 0 HB3 ASP A 82 25.633 36.704 -37.144 1.00 23.52 H new ATOM 1202 N TYR A 83 25.987 39.759 -36.787 1.00 2.10 N ATOM 1203 CA TYR A 83 26.225 40.905 -37.659 1.00 61.22 C ATOM 1204 C TYR A 83 25.305 42.069 -37.326 1.00 25.13 C ATOM 1205 O TYR A 83 24.110 41.891 -37.091 1.00 35.42 O ATOM 1206 CB TYR A 83 26.055 40.519 -39.134 1.00 22.35 C ATOM 1207 CG TYR A 83 27.321 39.985 -39.761 1.00 63.34 C ATOM 1208 CD1 TYR A 83 28.349 40.845 -40.117 1.00 54.31 C ATOM 1209 CD2 TYR A 83 27.497 38.626 -39.986 1.00 61.31 C ATOM 1210 CE1 TYR A 83 29.516 40.371 -40.679 1.00 54.50 C ATOM 1211 CE2 TYR A 83 28.661 38.141 -40.552 1.00 43.02 C ATOM 1212 CZ TYR A 83 29.669 39.018 -40.892 1.00 0.23 C ATOM 1213 OH TYR A 83 30.837 38.543 -41.447 1.00 35.22 O ATOM 0 H TYR A 83 25.025 39.665 -36.463 1.00 2.10 H new ATOM 0 HA TYR A 83 27.254 41.223 -37.489 1.00 61.22 H new ATOM 0 HB2 TYR A 83 25.271 39.766 -39.217 1.00 22.35 H new ATOM 0 HB3 TYR A 83 25.720 41.392 -39.695 1.00 22.35 H new ATOM 0 HD1 TYR A 83 28.234 41.906 -39.951 1.00 54.31 H new ATOM 0 HD2 TYR A 83 26.711 37.937 -39.714 1.00 61.31 H new ATOM 0 HE1 TYR A 83 30.305 41.056 -40.951 1.00 54.50 H new ATOM 0 HE2 TYR A 83 28.780 37.082 -40.727 1.00 43.02 H new ATOM 0 HH TYR A 83 31.604 38.938 -40.982 1.00 35.22 H new ATOM 1223 N ILE A 84 25.871 43.264 -37.298 1.00 71.04 N ATOM 1224 CA ILE A 84 25.090 44.473 -37.095 1.00 33.43 C ATOM 1225 C ILE A 84 24.814 45.125 -38.440 1.00 24.33 C ATOM 1226 O ILE A 84 25.676 45.795 -38.999 1.00 13.30 O ATOM 1227 CB ILE A 84 25.813 45.478 -36.169 1.00 35.11 C ATOM 1228 CG1 ILE A 84 26.121 44.835 -34.813 1.00 70.51 C ATOM 1229 CG2 ILE A 84 24.974 46.735 -35.979 1.00 63.41 C ATOM 1230 CD1 ILE A 84 24.888 44.334 -34.091 1.00 21.15 C ATOM 0 H ILE A 84 26.872 43.423 -37.414 1.00 71.04 H new ATOM 0 HA ILE A 84 24.154 44.192 -36.611 1.00 33.43 H new ATOM 0 HB ILE A 84 26.754 45.759 -36.642 1.00 35.11 H new ATOM 0 HG12 ILE A 84 26.809 44.003 -34.962 1.00 70.51 H new ATOM 0 HG13 ILE A 84 26.632 45.562 -34.182 1.00 70.51 H new ATOM 0 HG21 ILE A 84 25.501 47.429 -35.324 1.00 63.41 H new ATOM 0 HG22 ILE A 84 24.803 47.208 -36.946 1.00 63.41 H new ATOM 0 HG23 ILE A 84 24.017 46.469 -35.531 1.00 63.41 H new ATOM 0 HD11 ILE A 84 25.179 43.891 -33.139 1.00 21.15 H new ATOM 0 HD12 ILE A 84 24.208 45.167 -33.911 1.00 21.15 H new ATOM 0 HD13 ILE A 84 24.388 43.583 -34.703 1.00 21.15 H new ATOM 1242 N VAL A 85 23.626 44.900 -38.969 1.00 45.21 N ATOM 1243 CA VAL A 85 23.267 45.424 -40.275 1.00 41.00 C ATOM 1244 C VAL A 85 22.352 46.633 -40.125 1.00 52.13 C ATOM 1245 O VAL A 85 21.126 46.511 -40.121 1.00 43.50 O ATOM 1246 CB VAL A 85 22.574 44.350 -41.145 1.00 62.43 C ATOM 1247 CG1 VAL A 85 22.342 44.861 -42.558 1.00 1.04 C ATOM 1248 CG2 VAL A 85 23.389 43.063 -41.168 1.00 64.33 C ATOM 0 H VAL A 85 22.892 44.357 -38.514 1.00 45.21 H new ATOM 0 HA VAL A 85 24.188 45.725 -40.775 1.00 41.00 H new ATOM 0 HB VAL A 85 21.604 44.133 -40.699 1.00 62.43 H new ATOM 0 HG11 VAL A 85 21.853 44.087 -43.149 1.00 1.04 H new ATOM 0 HG12 VAL A 85 21.708 45.747 -42.525 1.00 1.04 H new ATOM 0 HG13 VAL A 85 23.298 45.116 -43.014 1.00 1.04 H new ATOM 0 HG21 VAL A 85 22.882 42.322 -41.786 1.00 64.33 H new ATOM 0 HG22 VAL A 85 24.377 43.265 -41.581 1.00 64.33 H new ATOM 0 HG23 VAL A 85 23.492 42.679 -40.153 1.00 64.33 H new ATOM 1258 N ASP A 86 22.954 47.798 -39.975 1.00 31.13 N ATOM 1259 CA ASP A 86 22.193 49.017 -39.775 1.00 20.21 C ATOM 1260 C ASP A 86 21.904 49.667 -41.118 1.00 24.31 C ATOM 1261 O ASP A 86 22.818 49.943 -41.900 1.00 74.51 O ATOM 1262 CB ASP A 86 22.949 49.987 -38.866 1.00 4.42 C ATOM 1263 CG ASP A 86 22.019 50.938 -38.134 1.00 33.31 C ATOM 1264 OD1 ASP A 86 22.058 50.961 -36.886 1.00 21.44 O ATOM 1265 OD2 ASP A 86 21.242 51.654 -38.794 1.00 45.22 O1- ATOM 0 H ASP A 86 23.966 47.926 -39.988 1.00 31.13 H new ATOM 0 HA ASP A 86 21.250 48.765 -39.289 1.00 20.21 H new ATOM 0 HB2 ASP A 86 23.531 49.421 -38.139 1.00 4.42 H new ATOM 0 HB3 ASP A 86 23.657 50.563 -39.462 1.00 4.42 H new ATOM 1270 N ILE A 87 20.633 49.894 -41.391 1.00 70.13 N ATOM 1271 CA ILE A 87 20.214 50.427 -42.673 1.00 11.31 C ATOM 1272 C ILE A 87 19.994 51.930 -42.576 1.00 5.45 C ATOM 1273 O ILE A 87 19.136 52.395 -41.830 1.00 31.44 O ATOM 1274 CB ILE A 87 18.925 49.737 -43.168 1.00 73.15 C ATOM 1275 CG1 ILE A 87 19.140 48.221 -43.245 1.00 41.53 C ATOM 1276 CG2 ILE A 87 18.513 50.290 -44.526 1.00 33.35 C ATOM 1277 CD1 ILE A 87 17.889 47.438 -43.582 1.00 31.30 C ATOM 0 H ILE A 87 19.870 49.716 -40.738 1.00 70.13 H new ATOM 0 HA ILE A 87 21.008 50.228 -43.393 1.00 11.31 H new ATOM 0 HB ILE A 87 18.122 49.941 -42.460 1.00 73.15 H new ATOM 0 HG12 ILE A 87 19.902 48.010 -43.996 1.00 41.53 H new ATOM 0 HG13 ILE A 87 19.529 47.871 -42.289 1.00 41.53 H new ATOM 0 HG21 ILE A 87 17.602 49.793 -44.860 1.00 33.35 H new ATOM 0 HG22 ILE A 87 18.332 51.362 -44.443 1.00 33.35 H new ATOM 0 HG23 ILE A 87 19.310 50.112 -45.248 1.00 33.35 H new ATOM 0 HD11 ILE A 87 18.124 46.374 -43.618 1.00 31.30 H new ATOM 0 HD12 ILE A 87 17.131 47.617 -42.819 1.00 31.30 H new ATOM 0 HD13 ILE A 87 17.510 47.758 -44.552 1.00 31.30 H new ATOM 1289 N ALA A 88 20.777 52.683 -43.329 1.00 34.53 N ATOM 1290 CA ALA A 88 20.695 54.129 -43.299 1.00 21.21 C ATOM 1291 C ALA A 88 20.130 54.674 -44.603 1.00 23.43 C ATOM 1292 O ALA A 88 20.866 54.965 -45.546 1.00 54.14 O ATOM 1293 CB ALA A 88 22.065 54.729 -43.029 1.00 40.44 C ATOM 0 H ALA A 88 21.479 52.313 -43.970 1.00 34.53 H new ATOM 0 HA ALA A 88 20.019 54.412 -42.492 1.00 21.21 H new ATOM 0 HB1 ALA A 88 21.989 55.816 -43.009 1.00 40.44 H new ATOM 0 HB2 ALA A 88 22.435 54.374 -42.067 1.00 40.44 H new ATOM 0 HB3 ALA A 88 22.756 54.428 -43.817 1.00 40.44 H new ATOM 1299 N ASN A 89 18.818 54.768 -44.670 1.00 52.24 N ATOM 1300 CA ASN A 89 18.167 55.436 -45.783 1.00 21.13 C ATOM 1301 C ASN A 89 17.835 56.854 -45.363 1.00 22.12 C ATOM 1302 O ASN A 89 16.961 57.071 -44.529 1.00 62.21 O ATOM 1303 CB ASN A 89 16.898 54.692 -46.210 1.00 44.43 C ATOM 1304 CG ASN A 89 16.186 55.356 -47.381 1.00 51.24 C ATOM 1305 OD1 ASN A 89 14.962 55.305 -47.482 1.00 34.21 O ATOM 1306 ND2 ASN A 89 16.943 55.968 -48.282 1.00 52.10 N ATOM 0 H ASN A 89 18.180 54.391 -43.969 1.00 52.24 H new ATOM 0 HA ASN A 89 18.839 55.447 -46.641 1.00 21.13 H new ATOM 0 HB2 ASN A 89 17.157 53.669 -46.482 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.215 54.633 -45.362 1.00 44.43 H new ATOM 0 HD21 ASN A 89 16.512 56.416 -49.091 1.00 52.10 H new ATOM 0 HD22 ASN A 89 17.956 55.991 -48.166 1.00 52.10 H new ATOM 1313 N ARG A 90 18.571 57.807 -45.906 1.00 34.23 N ATOM 1314 CA ARG A 90 18.417 59.202 -45.530 1.00 61.53 C ATOM 1315 C ARG A 90 18.997 60.099 -46.612 1.00 14.51 C ATOM 1316 O ARG A 90 19.935 59.708 -47.311 1.00 31.12 O ATOM 1317 CB ARG A 90 19.114 59.460 -44.185 1.00 1.00 C ATOM 1318 CG ARG A 90 19.199 60.928 -43.789 1.00 75.44 C ATOM 1319 CD ARG A 90 17.827 61.545 -43.580 1.00 14.21 C ATOM 1320 NE ARG A 90 17.916 62.988 -43.382 1.00 45.22 N ATOM 1321 CZ ARG A 90 17.075 63.699 -42.639 1.00 45.51 C ATOM 1322 NH1 ARG A 90 16.037 63.106 -42.055 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 17.263 65.004 -42.506 1.00 21.12 N ATOM 0 H ARG A 90 19.286 57.639 -46.614 1.00 34.23 H new ATOM 0 HA ARG A 90 17.357 59.430 -45.423 1.00 61.53 H new ATOM 0 HB2 ARG A 90 18.582 58.916 -43.404 1.00 1.00 H new ATOM 0 HB3 ARG A 90 20.123 59.049 -44.228 1.00 1.00 H new ATOM 0 HG2 ARG A 90 19.782 61.022 -42.873 1.00 75.44 H new ATOM 0 HG3 ARG A 90 19.731 61.481 -44.563 1.00 75.44 H new ATOM 0 HD2 ARG A 90 17.196 61.333 -44.443 1.00 14.21 H new ATOM 0 HD3 ARG A 90 17.348 61.086 -42.715 1.00 14.21 H new ATOM 0 HE ARG A 90 18.676 63.485 -43.846 1.00 45.22 H new ATOM 0 HH11 ARG A 90 15.886 62.105 -42.178 1.00 34.45 H new ATOM 0 HH12 ARG A 90 15.392 63.653 -41.485 1.00 34.45 H new ATOM 0 HH21 ARG A 90 18.049 65.456 -42.973 1.00 21.12 H new ATOM 0 HH22 ARG A 90 16.621 65.556 -41.937 1.00 21.12 H new ATOM 1337 N ASP A 91 18.390 61.275 -46.777 1.00 14.33 N ATOM 1338 CA ASP A 91 18.888 62.316 -47.678 1.00 71.02 C ATOM 1339 C ASP A 91 18.694 61.918 -49.138 1.00 43.52 C ATOM 1340 O ASP A 91 19.040 62.664 -50.051 1.00 61.51 O ATOM 1341 CB ASP A 91 20.365 62.618 -47.385 1.00 34.34 C ATOM 1342 CG ASP A 91 20.794 63.997 -47.848 1.00 2.00 C ATOM 1343 OD1 ASP A 91 21.721 64.090 -48.678 1.00 21.24 O ATOM 1344 OD2 ASP A 91 20.212 64.996 -47.366 1.00 32.31 O1- ATOM 0 H ASP A 91 17.534 61.534 -46.287 1.00 14.33 H new ATOM 0 HA ASP A 91 18.310 63.223 -47.502 1.00 71.02 H new ATOM 0 HB2 ASP A 91 20.542 62.530 -46.313 1.00 34.34 H new ATOM 0 HB3 ASP A 91 20.987 61.868 -47.873 1.00 34.34 H new ATOM 1349 N GLY A 92 18.115 60.743 -49.344 1.00 75.32 N ATOM 1350 CA GLY A 92 17.857 60.264 -50.684 1.00 62.34 C ATOM 1351 C GLY A 92 18.665 59.032 -51.022 1.00 52.21 C ATOM 1352 O GLY A 92 18.273 58.238 -51.878 1.00 23.30 O ATOM 0 H GLY A 92 17.818 60.111 -48.601 1.00 75.32 H new ATOM 0 HA2 GLY A 92 16.796 60.039 -50.788 1.00 62.34 H new ATOM 0 HA3 GLY A 92 18.087 61.053 -51.400 1.00 62.34 H new ATOM 1356 N GLN A 93 19.781 58.855 -50.330 1.00 55.42 N ATOM 1357 CA GLN A 93 20.700 57.767 -50.631 1.00 43.03 C ATOM 1358 C GLN A 93 20.448 56.553 -49.741 1.00 53.23 C ATOM 1359 O GLN A 93 19.835 56.655 -48.673 1.00 62.41 O ATOM 1360 CB GLN A 93 22.150 58.235 -50.471 1.00 32.14 C ATOM 1361 CG GLN A 93 22.615 59.205 -51.549 1.00 62.32 C ATOM 1362 CD GLN A 93 23.159 58.516 -52.794 1.00 5.43 C ATOM 1363 OE1 GLN A 93 22.659 57.326 -53.100 1.00 25.23 O flip ATOM 1364 NE2 GLN A 93 24.028 59.053 -53.482 1.00 33.20 N flip ATOM 0 H GLN A 93 20.072 59.451 -49.555 1.00 55.42 H new ATOM 0 HA GLN A 93 20.527 57.469 -51.665 1.00 43.03 H new ATOM 0 HB2 GLN A 93 22.261 58.711 -49.497 1.00 32.14 H new ATOM 0 HB3 GLN A 93 22.804 57.363 -50.476 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.781 59.846 -51.834 1.00 62.32 H new ATOM 0 HG3 GLN A 93 23.388 59.852 -51.135 1.00 62.32 H new ATOM 0 HE21 GLN A 93 24.392 59.969 -53.220 1.00 33.20 H new ATOM 0 HE22 GLN A 93 24.383 58.582 -54.314 1.00 33.20 H new ATOM 1373 N LEU A 94 20.911 55.402 -50.206 1.00 22.14 N ATOM 1374 CA LEU A 94 20.839 54.169 -49.439 1.00 50.31 C ATOM 1375 C LEU A 94 22.221 53.814 -48.922 1.00 43.43 C ATOM 1376 O LEU A 94 23.145 53.578 -49.702 1.00 52.24 O ATOM 1377 CB LEU A 94 20.288 53.015 -50.290 1.00 41.23 C ATOM 1378 CG LEU A 94 18.762 52.903 -50.364 1.00 41.02 C ATOM 1379 CD1 LEU A 94 18.181 52.634 -48.982 1.00 1.43 C ATOM 1380 CD2 LEU A 94 18.151 54.158 -50.962 1.00 42.11 C ATOM 0 H LEU A 94 21.346 55.297 -51.123 1.00 22.14 H new ATOM 0 HA LEU A 94 20.159 54.324 -48.601 1.00 50.31 H new ATOM 0 HB2 LEU A 94 20.674 53.121 -51.304 1.00 41.23 H new ATOM 0 HB3 LEU A 94 20.682 52.079 -49.895 1.00 41.23 H new ATOM 0 HG LEU A 94 18.516 52.065 -51.016 1.00 41.02 H new ATOM 0 HD11 LEU A 94 17.096 52.557 -49.052 1.00 1.43 H new ATOM 0 HD12 LEU A 94 18.586 51.700 -48.592 1.00 1.43 H new ATOM 0 HD13 LEU A 94 18.444 53.452 -48.311 1.00 1.43 H new ATOM 0 HD21 LEU A 94 17.067 54.051 -51.003 1.00 42.11 H new ATOM 0 HD22 LEU A 94 18.408 55.018 -50.344 1.00 42.11 H new ATOM 0 HD23 LEU A 94 18.539 54.307 -51.970 1.00 42.11 H new ATOM 1392 N GLN A 95 22.368 53.803 -47.614 1.00 22.34 N ATOM 1393 CA GLN A 95 23.645 53.493 -47.002 1.00 52.10 C ATOM 1394 C GLN A 95 23.509 52.284 -46.090 1.00 55.53 C ATOM 1395 O GLN A 95 22.628 52.236 -45.235 1.00 20.22 O ATOM 1396 CB GLN A 95 24.149 54.696 -46.209 1.00 54.30 C ATOM 1397 CG GLN A 95 24.193 55.984 -47.017 1.00 4.25 C ATOM 1398 CD GLN A 95 24.673 57.169 -46.204 1.00 5.40 C ATOM 1399 OE1 GLN A 95 25.574 56.919 -45.268 1.00 14.41 O flip ATOM 1400 NE2 GLN A 95 24.246 58.303 -46.422 1.00 5.31 N flip ATOM 0 H GLN A 95 21.619 54.005 -46.952 1.00 22.34 H new ATOM 0 HA GLN A 95 24.365 53.260 -47.786 1.00 52.10 H new ATOM 0 HB2 GLN A 95 23.506 54.843 -45.341 1.00 54.30 H new ATOM 0 HB3 GLN A 95 25.149 54.479 -45.832 1.00 54.30 H new ATOM 0 HG2 GLN A 95 24.851 55.847 -47.875 1.00 4.25 H new ATOM 0 HG3 GLN A 95 23.198 56.196 -47.409 1.00 4.25 H new ATOM 0 HE21 GLN A 95 23.551 58.454 -47.153 1.00 5.31 H new ATOM 0 HE22 GLN A 95 24.587 59.091 -45.872 1.00 5.31 H new ATOM 1409 N LEU A 96 24.365 51.304 -46.284 1.00 75.11 N ATOM 1410 CA LEU A 96 24.339 50.105 -45.467 1.00 53.33 C ATOM 1411 C LEU A 96 25.557 50.067 -44.559 1.00 12.32 C ATOM 1412 O LEU A 96 26.688 50.135 -45.032 1.00 51.50 O ATOM 1413 CB LEU A 96 24.300 48.855 -46.348 1.00 11.23 C ATOM 1414 CG LEU A 96 24.114 47.537 -45.598 1.00 54.15 C ATOM 1415 CD1 LEU A 96 22.781 47.526 -44.870 1.00 12.31 C ATOM 1416 CD2 LEU A 96 24.208 46.361 -46.557 1.00 11.35 C ATOM 0 H LEU A 96 25.090 51.312 -47.001 1.00 75.11 H new ATOM 0 HA LEU A 96 23.439 50.123 -44.853 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.489 48.963 -47.068 1.00 11.23 H new ATOM 0 HB3 LEU A 96 25.228 48.803 -46.918 1.00 11.23 H new ATOM 0 HG LEU A 96 24.911 47.443 -44.860 1.00 54.15 H new ATOM 0 HD11 LEU A 96 22.663 46.581 -44.341 1.00 12.31 H new ATOM 0 HD12 LEU A 96 22.750 48.348 -44.155 1.00 12.31 H new ATOM 0 HD13 LEU A 96 21.972 47.641 -45.591 1.00 12.31 H new ATOM 0 HD21 LEU A 96 24.073 45.430 -46.006 1.00 11.35 H new ATOM 0 HD22 LEU A 96 23.432 46.448 -47.317 1.00 11.35 H new ATOM 0 HD23 LEU A 96 25.187 46.360 -47.037 1.00 11.35 H new ATOM 1428 N ASN A 97 25.322 50.006 -43.254 1.00 24.34 N ATOM 1429 CA ASN A 97 26.406 49.913 -42.279 1.00 24.31 C ATOM 1430 C ASN A 97 26.368 48.557 -41.590 1.00 43.41 C ATOM 1431 O ASN A 97 25.539 48.321 -40.713 1.00 33.42 O ATOM 1432 CB ASN A 97 26.302 51.025 -41.221 1.00 32.34 C ATOM 1433 CG ASN A 97 26.673 52.409 -41.731 1.00 4.11 C ATOM 1434 OD1 ASN A 97 26.412 52.678 -42.999 1.00 11.22 O flip ATOM 1435 ND2 ASN A 97 27.180 53.240 -40.982 1.00 2.51 N flip ATOM 0 H ASN A 97 24.388 50.019 -42.844 1.00 24.34 H new ATOM 0 HA ASN A 97 27.349 50.031 -42.813 1.00 24.31 H new ATOM 0 HB2 ASN A 97 25.282 51.053 -40.839 1.00 32.34 H new ATOM 0 HB3 ASN A 97 26.950 50.774 -40.382 1.00 32.34 H new ATOM 0 HD21 ASN A 97 27.369 53.001 -40.009 1.00 2.51 H new ATOM 0 HD22 ASN A 97 27.412 54.169 -41.333 1.00 2.51 H new ATOM 1442 N VAL A 98 27.250 47.658 -42.001 1.00 45.14 N ATOM 1443 CA VAL A 98 27.281 46.317 -41.433 1.00 72.02 C ATOM 1444 C VAL A 98 28.574 46.075 -40.650 1.00 15.31 C ATOM 1445 O VAL A 98 29.674 46.094 -41.205 1.00 42.35 O ATOM 1446 CB VAL A 98 27.087 45.229 -42.523 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.110 45.365 -43.641 1.00 50.42 C ATOM 1448 CG2 VAL A 98 27.138 43.835 -41.908 1.00 24.02 C ATOM 0 H VAL A 98 27.951 47.831 -42.722 1.00 45.14 H new ATOM 0 HA VAL A 98 26.445 46.243 -40.738 1.00 72.02 H new ATOM 0 HB VAL A 98 26.101 45.376 -42.963 1.00 44.14 H new ATOM 0 HG11 VAL A 98 27.942 44.586 -44.385 1.00 50.42 H new ATOM 0 HG12 VAL A 98 28.008 46.343 -44.111 1.00 50.42 H new ATOM 0 HG13 VAL A 98 29.114 45.263 -43.230 1.00 50.42 H new ATOM 0 HG21 VAL A 98 27.000 43.087 -42.689 1.00 24.02 H new ATOM 0 HG22 VAL A 98 28.105 43.684 -41.428 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.346 43.735 -41.166 1.00 24.02 H new ATOM 1458 N THR A 99 28.431 45.874 -39.349 1.00 13.53 N ATOM 1459 CA THR A 99 29.567 45.622 -38.480 1.00 63.52 C ATOM 1460 C THR A 99 29.825 44.123 -38.335 1.00 34.14 C ATOM 1461 O THR A 99 28.936 43.364 -37.934 1.00 52.04 O ATOM 1462 CB THR A 99 29.344 46.241 -37.086 1.00 15.12 C ATOM 1463 OG1 THR A 99 29.039 47.634 -37.219 1.00 32.14 O ATOM 1464 CG2 THR A 99 30.576 46.076 -36.207 1.00 64.32 C ATOM 0 H THR A 99 27.531 45.881 -38.870 1.00 13.53 H new ATOM 0 HA THR A 99 30.438 46.088 -38.941 1.00 63.52 H new ATOM 0 HB THR A 99 28.511 45.721 -36.614 1.00 15.12 H new ATOM 0 HG1 THR A 99 28.896 48.024 -36.331 1.00 32.14 H new ATOM 0 HG21 THR A 99 30.389 46.522 -35.230 1.00 64.32 H new ATOM 0 HG22 THR A 99 30.797 45.016 -36.085 1.00 64.32 H new ATOM 0 HG23 THR A 99 31.426 46.572 -36.675 1.00 64.32 H new ATOM 1472 N ASP A 100 31.041 43.715 -38.678 1.00 61.11 N ATOM 1473 CA ASP A 100 31.471 42.326 -38.547 1.00 23.41 C ATOM 1474 C ASP A 100 31.748 41.982 -37.079 1.00 63.40 C ATOM 1475 O ASP A 100 31.989 42.873 -36.266 1.00 62.23 O ATOM 1476 CB ASP A 100 32.725 42.107 -39.400 1.00 14.41 C ATOM 1477 CG ASP A 100 33.248 40.690 -39.332 1.00 53.52 C ATOM 1478 OD1 ASP A 100 32.707 39.808 -40.024 1.00 4.12 O ATOM 1479 OD2 ASP A 100 34.211 40.461 -38.580 1.00 11.31 O1- ATOM 0 H ASP A 100 31.757 44.336 -39.055 1.00 61.11 H new ATOM 0 HA ASP A 100 30.677 41.667 -38.898 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.500 42.355 -40.437 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.506 42.792 -39.070 1.00 14.41 H new ATOM 1484 N ARG A 101 31.714 40.696 -36.744 1.00 1.22 N ATOM 1485 CA ARG A 101 31.895 40.257 -35.359 1.00 70.42 C ATOM 1486 C ARG A 101 33.160 39.417 -35.172 1.00 41.44 C ATOM 1487 O ARG A 101 33.423 38.933 -34.075 1.00 3.54 O ATOM 1488 CB ARG A 101 30.679 39.456 -34.898 1.00 70.04 C ATOM 1489 CG ARG A 101 29.547 40.310 -34.356 1.00 12.41 C ATOM 1490 CD ARG A 101 29.899 40.896 -33.001 1.00 13.24 C ATOM 1491 NE ARG A 101 28.778 41.630 -32.413 1.00 14.53 N ATOM 1492 CZ ARG A 101 28.440 41.562 -31.123 1.00 32.32 C ATOM 1493 NH1 ARG A 101 29.075 40.725 -30.314 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 27.444 42.300 -30.647 1.00 52.25 N ATOM 0 H ARG A 101 31.563 39.938 -37.410 1.00 1.22 H new ATOM 0 HA ARG A 101 32.003 41.156 -34.752 1.00 70.42 H new ATOM 0 HB2 ARG A 101 30.307 38.866 -35.735 1.00 70.04 H new ATOM 0 HB3 ARG A 101 30.991 38.752 -34.126 1.00 70.04 H new ATOM 0 HG2 ARG A 101 29.328 41.115 -35.057 1.00 12.41 H new ATOM 0 HG3 ARG A 101 28.643 39.707 -34.270 1.00 12.41 H new ATOM 0 HD2 ARG A 101 30.201 40.095 -32.327 1.00 13.24 H new ATOM 0 HD3 ARG A 101 30.754 41.564 -33.106 1.00 13.24 H new ATOM 0 HE ARG A 101 28.222 42.228 -33.024 1.00 14.53 H new ATOM 0 HH11 ARG A 101 29.822 40.133 -30.677 1.00 20.33 H new ATOM 0 HH12 ARG A 101 28.817 40.673 -29.329 1.00 20.33 H new ATOM 0 HH21 ARG A 101 26.930 42.925 -31.268 1.00 52.25 H new ATOM 0 HH22 ARG A 101 27.193 42.242 -29.660 1.00 52.25 H new ATOM 1508 N LYS A 102 33.937 39.239 -36.230 1.00 25.22 N ATOM 1509 CA LYS A 102 35.168 38.452 -36.144 1.00 51.24 C ATOM 1510 C LYS A 102 36.387 39.367 -36.223 1.00 24.03 C ATOM 1511 O LYS A 102 37.418 39.123 -35.596 1.00 61.52 O ATOM 1512 CB LYS A 102 35.226 37.419 -37.273 1.00 63.24 C ATOM 1513 CG LYS A 102 33.997 36.527 -37.362 1.00 64.00 C ATOM 1514 CD LYS A 102 33.803 35.688 -36.108 1.00 42.35 C ATOM 1515 CE LYS A 102 34.990 34.774 -35.844 1.00 32.33 C ATOM 1516 NZ LYS A 102 34.690 33.766 -34.794 1.00 73.14 N1+ ATOM 0 H LYS A 102 33.743 39.624 -37.154 1.00 25.22 H new ATOM 0 HA LYS A 102 35.173 37.930 -35.187 1.00 51.24 H new ATOM 0 HB2 LYS A 102 35.353 37.940 -38.222 1.00 63.24 H new ATOM 0 HB3 LYS A 102 36.107 36.793 -37.133 1.00 63.24 H new ATOM 0 HG2 LYS A 102 33.113 37.144 -37.524 1.00 64.00 H new ATOM 0 HG3 LYS A 102 34.089 35.869 -38.226 1.00 64.00 H new ATOM 0 HD2 LYS A 102 33.654 36.345 -35.251 1.00 42.35 H new ATOM 0 HD3 LYS A 102 32.899 35.088 -36.210 1.00 42.35 H new ATOM 0 HE2 LYS A 102 35.269 34.265 -36.767 1.00 32.33 H new ATOM 0 HE3 LYS A 102 35.848 35.372 -35.538 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 35.524 33.163 -34.644 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 34.449 34.251 -33.906 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 33.887 33.178 -35.097 1.00 73.14 H new ATOM 1530 N THR A 103 36.254 40.408 -37.024 1.00 32.11 N ATOM 1531 CA THR A 103 37.286 41.423 -37.175 1.00 65.25 C ATOM 1532 C THR A 103 36.734 42.797 -36.814 1.00 51.12 C ATOM 1533 O THR A 103 37.477 43.713 -36.460 1.00 72.12 O ATOM 1534 CB THR A 103 37.817 41.453 -38.620 1.00 3.51 C ATOM 1535 OG1 THR A 103 36.718 41.422 -39.546 1.00 71.14 O ATOM 1536 CG2 THR A 103 38.741 40.276 -38.888 1.00 15.44 C ATOM 0 H THR A 103 35.424 40.576 -37.592 1.00 32.11 H new ATOM 0 HA THR A 103 38.105 41.171 -36.501 1.00 65.25 H new ATOM 0 HB THR A 103 38.384 42.374 -38.753 1.00 3.51 H new ATOM 0 HG1 THR A 103 35.888 41.227 -39.062 1.00 71.14 H new ATOM 0 HG21 THR A 103 39.101 40.323 -39.916 1.00 15.44 H new ATOM 0 HG22 THR A 103 39.589 40.316 -38.204 1.00 15.44 H new ATOM 0 HG23 THR A 103 38.196 39.344 -38.736 1.00 15.44 H new ATOM 1544 N GLY A 104 35.417 42.930 -36.908 1.00 65.24 N ATOM 1545 CA GLY A 104 34.774 44.191 -36.612 1.00 42.41 C ATOM 1546 C GLY A 104 34.794 45.128 -37.797 1.00 24.42 C ATOM 1547 O GLY A 104 34.536 46.326 -37.657 1.00 13.23 O ATOM 0 H GLY A 104 34.782 42.182 -37.186 1.00 65.24 H new ATOM 0 HA2 GLY A 104 33.742 44.010 -36.310 1.00 42.41 H new ATOM 0 HA3 GLY A 104 35.275 44.664 -35.767 1.00 42.41 H new ATOM 1551 N GLN A 105 35.100 44.576 -38.966 1.00 51.35 N ATOM 1552 CA GLN A 105 35.105 45.345 -40.201 1.00 72.04 C ATOM 1553 C GLN A 105 33.703 45.848 -40.519 1.00 12.40 C ATOM 1554 O GLN A 105 32.851 45.088 -40.978 1.00 64.30 O ATOM 1555 CB GLN A 105 35.634 44.498 -41.364 1.00 71.44 C ATOM 1556 CG GLN A 105 37.090 44.089 -41.212 1.00 11.23 C ATOM 1557 CD GLN A 105 37.567 43.206 -42.346 1.00 44.43 C ATOM 1558 OE1 GLN A 105 38.048 43.693 -43.367 1.00 42.45 O ATOM 1559 NE2 GLN A 105 37.448 41.901 -42.171 1.00 23.32 N ATOM 0 H GLN A 105 35.349 43.594 -39.082 1.00 51.35 H new ATOM 0 HA GLN A 105 35.765 46.202 -40.066 1.00 72.04 H new ATOM 0 HB2 GLN A 105 35.022 43.601 -41.456 1.00 71.44 H new ATOM 0 HB3 GLN A 105 35.519 45.059 -42.292 1.00 71.44 H new ATOM 0 HG2 GLN A 105 37.712 44.983 -41.166 1.00 11.23 H new ATOM 0 HG3 GLN A 105 37.219 43.562 -40.267 1.00 11.23 H new ATOM 0 HE21 GLN A 105 37.043 41.537 -41.308 1.00 23.32 H new ATOM 0 HE22 GLN A 105 37.761 41.258 -42.898 1.00 23.32 H new ATOM 1568 N THR A 106 33.458 47.115 -40.239 1.00 25.35 N ATOM 1569 CA THR A 106 32.179 47.721 -40.553 1.00 43.25 C ATOM 1570 C THR A 106 32.186 48.227 -41.988 1.00 44.11 C ATOM 1571 O THR A 106 32.883 49.185 -42.317 1.00 33.22 O ATOM 1572 CB THR A 106 31.851 48.876 -39.588 1.00 61.32 C ATOM 1573 OG1 THR A 106 31.894 48.401 -38.232 1.00 1.35 O ATOM 1574 CG2 THR A 106 30.473 49.459 -39.879 1.00 5.13 C ATOM 0 H THR A 106 34.128 47.743 -39.795 1.00 25.35 H new ATOM 0 HA THR A 106 31.407 46.960 -40.438 1.00 43.25 H new ATOM 0 HB THR A 106 32.594 49.661 -39.730 1.00 61.32 H new ATOM 0 HG1 THR A 106 30.981 48.260 -37.906 1.00 1.35 H new ATOM 0 HG21 THR A 106 30.268 50.272 -39.183 1.00 5.13 H new ATOM 0 HG22 THR A 106 30.447 49.840 -40.900 1.00 5.13 H new ATOM 0 HG23 THR A 106 29.717 48.682 -39.762 1.00 5.13 H new ATOM 1582 N SER A 107 31.437 47.556 -42.841 1.00 30.10 N ATOM 1583 CA SER A 107 31.363 47.930 -44.239 1.00 71.15 C ATOM 1584 C SER A 107 30.284 48.990 -44.432 1.00 42.21 C ATOM 1585 O SER A 107 29.088 48.699 -44.350 1.00 53.14 O ATOM 1586 CB SER A 107 31.077 46.700 -45.108 1.00 62.32 C ATOM 1587 OG SER A 107 31.208 46.995 -46.489 1.00 35.01 O ATOM 0 H SER A 107 30.870 46.747 -42.589 1.00 30.10 H new ATOM 0 HA SER A 107 32.322 48.346 -44.548 1.00 71.15 H new ATOM 0 HB2 SER A 107 31.764 45.897 -44.840 1.00 62.32 H new ATOM 0 HB3 SER A 107 30.069 46.338 -44.907 1.00 62.32 H new ATOM 0 HG SER A 107 31.021 46.189 -47.015 1.00 35.01 H new ATOM 1593 N THR A 108 30.719 50.224 -44.634 1.00 61.34 N ATOM 1594 CA THR A 108 29.810 51.327 -44.882 1.00 45.01 C ATOM 1595 C THR A 108 29.617 51.510 -46.383 1.00 51.14 C ATOM 1596 O THR A 108 30.435 52.142 -47.054 1.00 24.12 O ATOM 1597 CB THR A 108 30.347 52.629 -44.262 1.00 51.54 C ATOM 1598 OG1 THR A 108 30.799 52.375 -42.925 1.00 42.23 O ATOM 1599 CG2 THR A 108 29.271 53.707 -44.243 1.00 12.31 C ATOM 0 H THR A 108 31.705 50.486 -44.630 1.00 61.34 H new ATOM 0 HA THR A 108 28.851 51.095 -44.418 1.00 45.01 H new ATOM 0 HB THR A 108 31.179 52.984 -44.871 1.00 51.54 H new ATOM 0 HG1 THR A 108 31.766 52.217 -42.931 1.00 42.23 H new ATOM 0 HG21 THR A 108 29.676 54.617 -43.800 1.00 12.31 H new ATOM 0 HG22 THR A 108 28.945 53.913 -45.262 1.00 12.31 H new ATOM 0 HG23 THR A 108 28.422 53.363 -43.653 1.00 12.31 H new ATOM 1607 N ILE A 109 28.550 50.929 -46.910 1.00 13.34 N ATOM 1608 CA ILE A 109 28.307 50.931 -48.345 1.00 55.11 C ATOM 1609 C ILE A 109 27.243 51.952 -48.731 1.00 14.15 C ATOM 1610 O ILE A 109 26.083 51.830 -48.339 1.00 1.14 O ATOM 1611 CB ILE A 109 27.856 49.537 -48.836 1.00 61.20 C ATOM 1612 CG1 ILE A 109 28.893 48.476 -48.456 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.636 49.550 -50.343 1.00 4.42 C ATOM 1614 CD1 ILE A 109 28.486 47.065 -48.822 1.00 12.41 C ATOM 0 H ILE A 109 27.836 50.448 -46.363 1.00 13.34 H new ATOM 0 HA ILE A 109 29.250 51.199 -48.821 1.00 55.11 H new ATOM 0 HB ILE A 109 26.912 49.288 -48.351 1.00 61.20 H new ATOM 0 HG12 ILE A 109 29.837 48.711 -48.948 1.00 73.01 H new ATOM 0 HG13 ILE A 109 29.073 48.525 -47.382 1.00 73.01 H new ATOM 0 HG21 ILE A 109 27.319 48.561 -50.673 1.00 4.42 H new ATOM 0 HG22 ILE A 109 26.866 50.280 -50.592 1.00 4.42 H new ATOM 0 HG23 ILE A 109 28.566 49.819 -50.844 1.00 4.42 H new ATOM 0 HD11 ILE A 109 29.271 46.371 -48.522 1.00 12.41 H new ATOM 0 HD12 ILE A 109 27.559 46.809 -48.309 1.00 12.41 H new ATOM 0 HD13 ILE A 109 28.335 46.998 -49.899 1.00 12.41 H new ATOM 1626 N GLN A 110 27.651 52.968 -49.479 1.00 42.43 N ATOM 1627 CA GLN A 110 26.716 53.916 -50.057 1.00 3.53 C ATOM 1628 C GLN A 110 26.379 53.492 -51.484 1.00 10.22 C ATOM 1629 O GLN A 110 27.270 53.348 -52.326 1.00 61.10 O ATOM 1630 CB GLN A 110 27.298 55.331 -50.036 1.00 51.25 C ATOM 1631 CG GLN A 110 27.548 55.863 -48.634 1.00 2.41 C ATOM 1632 CD GLN A 110 27.885 57.341 -48.615 1.00 4.14 C ATOM 1633 OE1 GLN A 110 26.995 58.182 -48.542 1.00 23.33 O ATOM 1634 NE2 GLN A 110 29.165 57.673 -48.674 1.00 32.10 N ATOM 0 H GLN A 110 28.629 53.155 -49.699 1.00 42.43 H new ATOM 0 HA GLN A 110 25.802 53.923 -49.462 1.00 3.53 H new ATOM 0 HB2 GLN A 110 28.236 55.338 -50.591 1.00 51.25 H new ATOM 0 HB3 GLN A 110 26.615 56.004 -50.555 1.00 51.25 H new ATOM 0 HG2 GLN A 110 26.663 55.689 -48.022 1.00 2.41 H new ATOM 0 HG3 GLN A 110 28.365 55.303 -48.179 1.00 2.41 H new ATOM 0 HE21 GLN A 110 29.878 56.946 -48.734 1.00 32.10 H new ATOM 0 HE22 GLN A 110 29.438 58.656 -48.659 1.00 32.10 H new ATOM 1643 N VAL A 111 25.098 53.261 -51.741 1.00 22.34 N ATOM 1644 CA VAL A 111 24.648 52.760 -53.039 1.00 74.24 C ATOM 1645 C VAL A 111 24.891 53.774 -54.159 1.00 21.00 C ATOM 1646 O VAL A 111 24.437 54.920 -54.093 1.00 75.11 O ATOM 1647 CB VAL A 111 23.152 52.369 -53.001 1.00 73.33 C ATOM 1648 CG1 VAL A 111 22.669 51.921 -54.370 1.00 13.23 C ATOM 1649 CG2 VAL A 111 22.917 51.272 -51.974 1.00 44.35 C ATOM 0 H VAL A 111 24.348 53.412 -51.067 1.00 22.34 H new ATOM 0 HA VAL A 111 25.240 51.870 -53.252 1.00 74.24 H new ATOM 0 HB VAL A 111 22.580 53.251 -52.712 1.00 73.33 H new ATOM 0 HG11 VAL A 111 21.614 51.652 -54.314 1.00 13.23 H new ATOM 0 HG12 VAL A 111 22.799 52.733 -55.085 1.00 13.23 H new ATOM 0 HG13 VAL A 111 23.247 51.056 -54.695 1.00 13.23 H new ATOM 0 HG21 VAL A 111 21.860 51.008 -51.959 1.00 44.35 H new ATOM 0 HG22 VAL A 111 23.507 50.394 -52.238 1.00 44.35 H new ATOM 0 HG23 VAL A 111 23.216 51.627 -50.988 1.00 44.35 H new