USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=16 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 95 GLN :FLIP amide:sc= -0.0151 F(o=1.2!,f=2.5) USER MOD Set 1.2: A 97 ASN : amide:sc= 1.3 K(o=2.5,f=-1.1) USER MOD Set 1.3: A 108 THR OG1 : rot -121:sc= 1.21 USER MOD Set 1.4: A 110 GLN : amide:sc= 0 X(o=2.5,f=2.4) USER MOD Set 2.1: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 56 GLN : amide:sc= 0.413 K(o=0.36,f=-0.79) USER MOD Set 2.3: A 59 GLN : amide:sc= -0.0547 X(o=0.36,f=0.26) 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 :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 60 SER OG : rot 75:sc= 0.268 USER MOD Single : A 61 GLN :FLIP amide:sc= -1.32 F(o=-2.5!,f=-1.3) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.059 X(o=-0.059,f=-0.0073) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -170:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0974 K(o=-0.097,f=-2.3!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 93 GLN :FLIP amide:sc= 0 F(o=-2.1!,f=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot -70:sc= 1.21 USER MOD Single : A 105 GLN : amide:sc= -0.12 K(o=-0.12,f=-0.85) USER MOD Single : A 106 THR OG1 : rot 49:sc= 0.221 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 659 N GLU A 46 35.671 71.559 -18.126 1.00 65.21 N ATOM 660 CA GLU A 46 36.132 71.616 -19.506 1.00 41.54 C ATOM 661 C GLU A 46 37.292 70.659 -19.732 1.00 5.12 C ATOM 662 O GLU A 46 38.136 70.883 -20.599 1.00 43.23 O ATOM 663 CB GLU A 46 36.538 73.040 -19.873 1.00 55.55 C ATOM 664 CG GLU A 46 35.388 74.025 -19.813 1.00 14.53 C ATOM 665 CD GLU A 46 35.779 75.391 -20.318 1.00 0.14 C ATOM 666 OE1 GLU A 46 36.136 76.254 -19.492 1.00 65.32 O ATOM 667 OE2 GLU A 46 35.730 75.609 -21.546 1.00 5.55 O1- ATOM 0 HA GLU A 46 35.309 71.310 -20.151 1.00 41.54 H new ATOM 0 HB2 GLU A 46 37.327 73.371 -19.197 1.00 55.55 H new ATOM 0 HB3 GLU A 46 36.958 73.043 -20.879 1.00 55.55 H new ATOM 0 HG2 GLU A 46 34.556 73.645 -20.406 1.00 14.53 H new ATOM 0 HG3 GLU A 46 35.036 74.107 -18.785 1.00 14.53 H new ATOM 674 N THR A 47 37.321 69.591 -18.954 1.00 53.34 N ATOM 675 CA THR A 47 38.308 68.540 -19.125 1.00 11.21 C ATOM 676 C THR A 47 37.643 67.302 -19.725 1.00 2.33 C ATOM 677 O THR A 47 37.174 66.426 -18.997 1.00 31.14 O ATOM 678 CB THR A 47 38.978 68.169 -17.788 1.00 14.13 C ATOM 679 OG1 THR A 47 39.428 69.359 -17.122 1.00 60.32 O ATOM 680 CG2 THR A 47 40.157 67.231 -18.018 1.00 31.14 C ATOM 0 H THR A 47 36.665 69.429 -18.190 1.00 53.34 H new ATOM 0 HA THR A 47 39.080 68.911 -19.798 1.00 11.21 H new ATOM 0 HB THR A 47 38.245 67.658 -17.164 1.00 14.13 H new ATOM 0 HG1 THR A 47 39.852 69.118 -16.272 1.00 60.32 H new ATOM 0 HG21 THR A 47 40.616 66.982 -17.061 1.00 31.14 H new ATOM 0 HG22 THR A 47 39.807 66.319 -18.501 1.00 31.14 H new ATOM 0 HG23 THR A 47 40.892 67.721 -18.656 1.00 31.14 H new ATOM 688 N PRO A 48 37.551 67.236 -21.062 1.00 63.35 N ATOM 689 CA PRO A 48 36.856 66.150 -21.749 1.00 21.13 C ATOM 690 C PRO A 48 37.513 64.797 -21.501 1.00 23.22 C ATOM 691 O PRO A 48 38.520 64.457 -22.121 1.00 30.10 O ATOM 692 CB PRO A 48 36.941 66.529 -23.235 1.00 72.10 C ATOM 693 CG PRO A 48 37.305 67.972 -23.251 1.00 2.42 C ATOM 694 CD PRO A 48 38.121 68.201 -22.014 1.00 3.12 C ATOM 0 HA PRO A 48 35.832 66.041 -21.393 1.00 21.13 H new ATOM 0 HB2 PRO A 48 37.690 65.929 -23.752 1.00 72.10 H new ATOM 0 HB3 PRO A 48 35.990 66.357 -23.740 1.00 72.10 H new ATOM 0 HG2 PRO A 48 37.874 68.222 -24.147 1.00 2.42 H new ATOM 0 HG3 PRO A 48 36.414 68.600 -23.254 1.00 2.42 H new ATOM 0 HD2 PRO A 48 39.181 68.018 -22.189 1.00 3.12 H new ATOM 0 HD3 PRO A 48 38.030 69.226 -21.654 1.00 3.12 H new ATOM 702 N SER A 49 36.959 64.049 -20.559 1.00 1.52 N ATOM 703 CA SER A 49 37.413 62.693 -20.303 1.00 71.45 C ATOM 704 C SER A 49 36.283 61.704 -20.585 1.00 5.40 C ATOM 705 O SER A 49 36.243 61.082 -21.645 1.00 55.33 O ATOM 706 CB SER A 49 37.901 62.567 -18.860 1.00 4.01 C ATOM 707 OG SER A 49 38.835 63.587 -18.550 1.00 52.25 O ATOM 0 H SER A 49 36.194 64.359 -19.960 1.00 1.52 H new ATOM 0 HA SER A 49 38.246 62.461 -20.966 1.00 71.45 H new ATOM 0 HB2 SER A 49 37.052 62.626 -18.179 1.00 4.01 H new ATOM 0 HB3 SER A 49 38.361 61.590 -18.712 1.00 4.01 H new ATOM 0 HG SER A 49 39.132 63.487 -17.621 1.00 52.25 H new ATOM 713 N ALA A 50 35.338 61.599 -19.656 1.00 4.34 N ATOM 714 CA ALA A 50 34.194 60.715 -19.836 1.00 71.23 C ATOM 715 C ALA A 50 33.247 61.282 -20.885 1.00 52.43 C ATOM 716 O ALA A 50 32.724 60.555 -21.730 1.00 63.35 O ATOM 717 CB ALA A 50 33.471 60.521 -18.513 1.00 52.42 C ATOM 0 H ALA A 50 35.342 62.113 -18.775 1.00 4.34 H new ATOM 0 HA ALA A 50 34.550 59.745 -20.183 1.00 71.23 H new ATOM 0 HB1 ALA A 50 32.618 59.859 -18.658 1.00 52.42 H new ATOM 0 HB2 ALA A 50 34.153 60.079 -17.787 1.00 52.42 H new ATOM 0 HB3 ALA A 50 33.123 61.486 -18.144 1.00 52.42 H new ATOM 723 N LEU A 51 33.045 62.592 -20.832 1.00 14.24 N ATOM 724 CA LEU A 51 32.171 63.274 -21.781 1.00 65.24 C ATOM 725 C LEU A 51 32.828 63.385 -23.157 1.00 54.11 C ATOM 726 O LEU A 51 32.149 63.609 -24.158 1.00 73.42 O ATOM 727 CB LEU A 51 31.797 64.676 -21.279 1.00 34.13 C ATOM 728 CG LEU A 51 32.941 65.701 -21.232 1.00 14.14 C ATOM 729 CD1 LEU A 51 32.384 67.112 -21.268 1.00 42.24 C ATOM 730 CD2 LEU A 51 33.794 65.521 -19.983 1.00 32.32 C ATOM 0 H LEU A 51 33.475 63.206 -20.140 1.00 14.24 H new ATOM 0 HA LEU A 51 31.264 62.675 -21.870 1.00 65.24 H new ATOM 0 HB2 LEU A 51 31.008 65.071 -21.919 1.00 34.13 H new ATOM 0 HB3 LEU A 51 31.378 64.582 -20.277 1.00 34.13 H new ATOM 0 HG LEU A 51 33.571 65.536 -22.106 1.00 14.14 H new ATOM 0 HD11 LEU A 51 33.205 67.828 -21.234 1.00 42.24 H new ATOM 0 HD12 LEU A 51 31.815 67.255 -22.187 1.00 42.24 H new ATOM 0 HD13 LEU A 51 31.731 67.267 -20.409 1.00 42.24 H new ATOM 0 HD21 LEU A 51 34.594 66.261 -19.979 1.00 32.32 H new ATOM 0 HD22 LEU A 51 33.174 65.653 -19.097 1.00 32.32 H new ATOM 0 HD23 LEU A 51 34.225 64.520 -19.978 1.00 32.32 H new ATOM 742 N ASP A 52 34.145 63.215 -23.201 1.00 2.23 N ATOM 743 CA ASP A 52 34.906 63.373 -24.443 1.00 12.25 C ATOM 744 C ASP A 52 34.450 62.375 -25.494 1.00 34.31 C ATOM 745 O ASP A 52 34.075 62.754 -26.602 1.00 33.15 O ATOM 746 CB ASP A 52 36.398 63.188 -24.182 1.00 5.20 C ATOM 747 CG ASP A 52 37.223 63.275 -25.450 1.00 62.52 C ATOM 748 OD1 ASP A 52 37.291 64.370 -26.045 1.00 12.41 O ATOM 749 OD2 ASP A 52 37.815 62.255 -25.848 1.00 63.02 O1- ATOM 0 H ASP A 52 34.712 62.967 -22.390 1.00 2.23 H new ATOM 0 HA ASP A 52 34.726 64.381 -24.815 1.00 12.25 H new ATOM 0 HB2 ASP A 52 36.738 63.948 -23.478 1.00 5.20 H new ATOM 0 HB3 ASP A 52 36.564 62.220 -23.710 1.00 5.20 H new ATOM 754 N ASN A 53 34.451 61.102 -25.123 1.00 61.25 N ATOM 755 CA ASN A 53 34.066 60.031 -26.037 1.00 42.12 C ATOM 756 C ASN A 53 32.547 59.959 -26.187 1.00 63.01 C ATOM 757 O ASN A 53 31.998 58.928 -26.571 1.00 23.25 O ATOM 758 CB ASN A 53 34.601 58.683 -25.535 1.00 44.53 C ATOM 759 CG ASN A 53 36.112 58.664 -25.363 1.00 73.01 C ATOM 760 OD1 ASN A 53 36.823 59.427 -26.177 1.00 72.42 O flip ATOM 761 ND2 ASN A 53 36.635 57.960 -24.502 1.00 31.23 N flip ATOM 0 H ASN A 53 34.715 60.783 -24.191 1.00 61.25 H new ATOM 0 HA ASN A 53 34.501 60.250 -27.012 1.00 42.12 H new ATOM 0 HB2 ASN A 53 34.130 58.445 -24.581 1.00 44.53 H new ATOM 0 HB3 ASN A 53 34.312 57.901 -26.237 1.00 44.53 H new ATOM 0 HD21 ASN A 53 36.054 57.384 -23.892 1.00 31.23 H new ATOM 0 HD22 ASN A 53 37.650 57.951 -24.397 1.00 31.23 H new ATOM 768 N PHE A 54 31.875 61.063 -25.896 1.00 22.14 N ATOM 769 CA PHE A 54 30.427 61.120 -25.964 1.00 43.23 C ATOM 770 C PHE A 54 29.970 62.368 -26.715 1.00 0.30 C ATOM 771 O PHE A 54 29.421 62.276 -27.813 1.00 51.31 O ATOM 772 CB PHE A 54 29.843 61.100 -24.547 1.00 64.13 C ATOM 773 CG PHE A 54 28.342 61.117 -24.501 1.00 32.43 C ATOM 774 CD1 PHE A 54 27.663 62.196 -23.956 1.00 20.25 C ATOM 775 CD2 PHE A 54 27.610 60.055 -25.003 1.00 52.44 C ATOM 776 CE1 PHE A 54 26.283 62.213 -23.914 1.00 74.25 C ATOM 777 CE2 PHE A 54 26.230 60.066 -24.964 1.00 41.13 C ATOM 778 CZ PHE A 54 25.566 61.146 -24.419 1.00 1.54 C ATOM 0 H PHE A 54 32.316 61.937 -25.609 1.00 22.14 H new ATOM 0 HA PHE A 54 30.065 60.249 -26.510 1.00 43.23 H new ATOM 0 HB2 PHE A 54 30.201 60.209 -24.031 1.00 64.13 H new ATOM 0 HB3 PHE A 54 30.222 61.961 -23.997 1.00 64.13 H new ATOM 0 HD1 PHE A 54 28.220 63.032 -23.560 1.00 20.25 H new ATOM 0 HD2 PHE A 54 28.125 59.207 -25.431 1.00 52.44 H new ATOM 0 HE1 PHE A 54 25.765 63.059 -23.487 1.00 74.25 H new ATOM 0 HE2 PHE A 54 25.671 59.231 -25.359 1.00 41.13 H new ATOM 0 HZ PHE A 54 24.487 61.157 -24.387 1.00 1.54 H new ATOM 788 N THR A 55 30.234 63.538 -26.138 1.00 75.41 N ATOM 789 CA THR A 55 29.722 64.792 -26.682 1.00 62.12 C ATOM 790 C THR A 55 30.401 65.152 -28.003 1.00 21.25 C ATOM 791 O THR A 55 29.827 65.858 -28.832 1.00 1.24 O ATOM 792 CB THR A 55 29.879 65.958 -25.677 1.00 4.21 C ATOM 793 OG1 THR A 55 29.118 67.086 -26.117 1.00 21.43 O ATOM 794 CG2 THR A 55 31.337 66.362 -25.507 1.00 4.31 C ATOM 0 H THR A 55 30.799 63.643 -25.295 1.00 75.41 H new ATOM 0 HA THR A 55 28.659 64.638 -26.869 1.00 62.12 H new ATOM 0 HB THR A 55 29.509 65.615 -24.711 1.00 4.21 H new ATOM 0 HG1 THR A 55 29.220 67.820 -25.476 1.00 21.43 H new ATOM 0 HG21 THR A 55 31.406 67.183 -24.794 1.00 4.31 H new ATOM 0 HG22 THR A 55 31.910 65.511 -25.137 1.00 4.31 H new ATOM 0 HG23 THR A 55 31.741 66.681 -26.468 1.00 4.31 H new ATOM 802 N GLN A 56 31.604 64.630 -28.213 1.00 32.54 N ATOM 803 CA GLN A 56 32.349 64.905 -29.437 1.00 40.22 C ATOM 804 C GLN A 56 31.656 64.268 -30.633 1.00 42.31 C ATOM 805 O GLN A 56 31.708 64.789 -31.747 1.00 33.50 O ATOM 806 CB GLN A 56 33.793 64.404 -29.321 1.00 24.31 C ATOM 807 CG GLN A 56 34.815 65.515 -29.097 1.00 3.12 C ATOM 808 CD GLN A 56 34.520 66.360 -27.869 1.00 23.51 C ATOM 809 OE1 GLN A 56 33.799 67.352 -27.945 1.00 22.43 O ATOM 810 NE2 GLN A 56 35.094 65.997 -26.734 1.00 51.20 N ATOM 0 H GLN A 56 32.083 64.016 -27.554 1.00 32.54 H new ATOM 0 HA GLN A 56 32.377 65.984 -29.586 1.00 40.22 H new ATOM 0 HB2 GLN A 56 33.856 63.694 -28.497 1.00 24.31 H new ATOM 0 HB3 GLN A 56 34.053 63.861 -30.230 1.00 24.31 H new ATOM 0 HG2 GLN A 56 35.806 65.073 -28.997 1.00 3.12 H new ATOM 0 HG3 GLN A 56 34.841 66.159 -29.976 1.00 3.12 H new ATOM 0 HE21 GLN A 56 35.687 65.168 -26.705 1.00 51.20 H new ATOM 0 HE22 GLN A 56 34.944 66.546 -25.888 1.00 51.20 H new ATOM 819 N ALA A 57 30.979 63.154 -30.389 1.00 43.12 N ATOM 820 CA ALA A 57 30.227 62.477 -31.433 1.00 74.22 C ATOM 821 C ALA A 57 28.882 63.159 -31.638 1.00 13.44 C ATOM 822 O ALA A 57 28.305 63.113 -32.723 1.00 44.41 O ATOM 823 CB ALA A 57 30.030 61.010 -31.087 1.00 32.32 C ATOM 0 H ALA A 57 30.936 62.701 -29.476 1.00 43.12 H new ATOM 0 HA ALA A 57 30.795 62.536 -32.361 1.00 74.22 H new ATOM 0 HB1 ALA A 57 29.465 60.522 -31.881 1.00 32.32 H new ATOM 0 HB2 ALA A 57 31.002 60.527 -30.983 1.00 32.32 H new ATOM 0 HB3 ALA A 57 29.482 60.928 -30.148 1.00 32.32 H new ATOM 829 N ILE A 58 28.392 63.806 -30.584 1.00 52.41 N ATOM 830 CA ILE A 58 27.124 64.521 -30.646 1.00 43.42 C ATOM 831 C ILE A 58 27.258 65.761 -31.521 1.00 42.32 C ATOM 832 O ILE A 58 26.343 66.121 -32.256 1.00 2.22 O ATOM 833 CB ILE A 58 26.636 64.938 -29.242 1.00 4.31 C ATOM 834 CG1 ILE A 58 26.644 63.729 -28.302 1.00 33.32 C ATOM 835 CG2 ILE A 58 25.241 65.555 -29.316 1.00 22.11 C ATOM 836 CD1 ILE A 58 25.959 63.979 -26.977 1.00 75.03 C ATOM 0 H ILE A 58 28.856 63.849 -29.676 1.00 52.41 H new ATOM 0 HA ILE A 58 26.389 63.842 -31.078 1.00 43.42 H new ATOM 0 HB ILE A 58 27.317 65.692 -28.846 1.00 4.31 H new ATOM 0 HG12 ILE A 58 26.156 62.891 -28.800 1.00 33.32 H new ATOM 0 HG13 ILE A 58 27.676 63.432 -28.116 1.00 33.32 H new ATOM 0 HG21 ILE A 58 24.916 65.842 -28.316 1.00 22.11 H new ATOM 0 HG22 ILE A 58 25.267 66.437 -29.956 1.00 22.11 H new ATOM 0 HG23 ILE A 58 24.543 64.827 -29.729 1.00 22.11 H new ATOM 0 HD11 ILE A 58 26.006 63.077 -26.367 1.00 75.03 H new ATOM 0 HD12 ILE A 58 26.460 64.795 -26.457 1.00 75.03 H new ATOM 0 HD13 ILE A 58 24.916 64.245 -27.151 1.00 75.03 H new ATOM 848 N GLN A 59 28.413 66.400 -31.450 1.00 20.32 N ATOM 849 CA GLN A 59 28.682 67.575 -32.266 1.00 43.14 C ATOM 850 C GLN A 59 28.768 67.188 -33.741 1.00 30.01 C ATOM 851 O GLN A 59 28.385 67.959 -34.623 1.00 22.32 O ATOM 852 CB GLN A 59 29.969 68.245 -31.790 1.00 0.24 C ATOM 853 CG GLN A 59 29.895 68.676 -30.332 1.00 33.03 C ATOM 854 CD GLN A 59 31.231 69.101 -29.766 1.00 32.54 C ATOM 855 OE1 GLN A 59 32.083 69.632 -30.475 1.00 24.13 O ATOM 856 NE2 GLN A 59 31.430 68.853 -28.481 1.00 51.23 N ATOM 0 H GLN A 59 29.180 66.126 -30.836 1.00 20.32 H new ATOM 0 HA GLN A 59 27.864 68.287 -32.159 1.00 43.14 H new ATOM 0 HB2 GLN A 59 30.804 67.556 -31.920 1.00 0.24 H new ATOM 0 HB3 GLN A 59 30.174 69.115 -32.413 1.00 0.24 H new ATOM 0 HG2 GLN A 59 29.190 69.502 -30.240 1.00 33.03 H new ATOM 0 HG3 GLN A 59 29.501 67.852 -29.736 1.00 33.03 H new ATOM 0 HE21 GLN A 59 30.696 68.410 -27.927 1.00 51.23 H new ATOM 0 HE22 GLN A 59 32.317 69.105 -28.044 1.00 51.23 H new ATOM 865 N SER A 60 29.245 65.978 -33.996 1.00 51.04 N ATOM 866 CA SER A 60 29.304 65.451 -35.349 1.00 11.41 C ATOM 867 C SER A 60 27.899 65.192 -35.883 1.00 54.31 C ATOM 868 O SER A 60 27.597 65.476 -37.043 1.00 71.15 O ATOM 869 CB SER A 60 30.109 64.153 -35.366 1.00 73.34 C ATOM 870 OG SER A 60 31.319 64.302 -34.648 1.00 3.51 O ATOM 0 H SER A 60 29.597 65.342 -33.280 1.00 51.04 H new ATOM 0 HA SER A 60 29.791 66.188 -35.988 1.00 11.41 H new ATOM 0 HB2 SER A 60 29.518 63.348 -34.929 1.00 73.34 H new ATOM 0 HB3 SER A 60 30.325 63.867 -36.396 1.00 73.34 H new ATOM 0 HG SER A 60 31.132 64.294 -33.686 1.00 3.51 H new ATOM 876 N GLN A 61 27.031 64.680 -35.015 1.00 30.10 N ATOM 877 CA GLN A 61 25.680 64.308 -35.408 1.00 24.42 C ATOM 878 C GLN A 61 24.748 65.522 -35.403 1.00 14.32 C ATOM 879 O GLN A 61 23.528 65.386 -35.466 1.00 1.12 O ATOM 880 CB GLN A 61 25.142 63.207 -34.485 1.00 64.21 C ATOM 881 CG GLN A 61 24.859 63.669 -33.066 1.00 32.32 C ATOM 882 CD GLN A 61 24.567 62.526 -32.108 1.00 64.01 C ATOM 883 OE1 GLN A 61 25.195 61.379 -32.329 1.00 52.54 O flip ATOM 884 NE2 GLN A 61 23.800 62.682 -31.159 1.00 61.52 N flip ATOM 0 H GLN A 61 27.243 64.514 -34.031 1.00 30.10 H new ATOM 0 HA GLN A 61 25.716 63.922 -36.427 1.00 24.42 H new ATOM 0 HB2 GLN A 61 24.224 62.805 -34.914 1.00 64.21 H new ATOM 0 HB3 GLN A 61 25.864 62.391 -34.453 1.00 64.21 H new ATOM 0 HG2 GLN A 61 25.716 64.233 -32.697 1.00 32.32 H new ATOM 0 HG3 GLN A 61 24.009 64.351 -33.076 1.00 32.32 H new ATOM 0 HE21 GLN A 61 23.335 63.579 -31.021 1.00 61.52 H new ATOM 0 HE22 GLN A 61 23.629 61.914 -30.510 1.00 61.52 H new ATOM 893 N ILE A 62 25.330 66.711 -35.325 1.00 25.21 N ATOM 894 CA ILE A 62 24.565 67.939 -35.468 1.00 60.23 C ATOM 895 C ILE A 62 24.501 68.336 -36.937 1.00 4.22 C ATOM 896 O ILE A 62 23.421 68.419 -37.519 1.00 73.53 O ATOM 897 CB ILE A 62 25.171 69.101 -34.644 1.00 31.41 C ATOM 898 CG1 ILE A 62 25.077 68.798 -33.149 1.00 75.12 C ATOM 899 CG2 ILE A 62 24.461 70.412 -34.965 1.00 11.33 C ATOM 900 CD1 ILE A 62 25.706 69.860 -32.273 1.00 54.33 C ATOM 0 H ILE A 62 26.328 66.850 -35.164 1.00 25.21 H new ATOM 0 HA ILE A 62 23.562 67.748 -35.086 1.00 60.23 H new ATOM 0 HB ILE A 62 26.222 69.203 -34.913 1.00 31.41 H new ATOM 0 HG12 ILE A 62 24.028 68.688 -32.875 1.00 75.12 H new ATOM 0 HG13 ILE A 62 25.561 67.842 -32.950 1.00 75.12 H new ATOM 0 HG21 ILE A 62 24.900 71.217 -34.376 1.00 11.33 H new ATOM 0 HG22 ILE A 62 24.572 70.636 -36.026 1.00 11.33 H new ATOM 0 HG23 ILE A 62 23.402 70.321 -34.722 1.00 11.33 H new ATOM 0 HD11 ILE A 62 25.601 69.577 -31.226 1.00 54.33 H new ATOM 0 HD12 ILE A 62 26.764 69.955 -32.519 1.00 54.33 H new ATOM 0 HD13 ILE A 62 25.207 70.814 -32.443 1.00 54.33 H new ATOM 912 N LEU A 63 25.672 68.530 -37.535 1.00 64.35 N ATOM 913 CA LEU A 63 25.775 68.997 -38.915 1.00 53.53 C ATOM 914 C LEU A 63 25.054 68.056 -39.876 1.00 34.31 C ATOM 915 O LEU A 63 24.086 68.442 -40.529 1.00 74.53 O ATOM 916 CB LEU A 63 27.246 69.128 -39.316 1.00 24.15 C ATOM 917 CG LEU A 63 28.069 70.098 -38.463 1.00 14.34 C ATOM 918 CD1 LEU A 63 29.525 70.085 -38.896 1.00 52.54 C ATOM 919 CD2 LEU A 63 27.502 71.510 -38.556 1.00 61.01 C ATOM 0 H LEU A 63 26.571 68.370 -37.081 1.00 64.35 H new ATOM 0 HA LEU A 63 25.295 69.974 -38.976 1.00 53.53 H new ATOM 0 HB2 LEU A 63 27.709 68.142 -39.266 1.00 24.15 H new ATOM 0 HB3 LEU A 63 27.295 69.451 -40.356 1.00 24.15 H new ATOM 0 HG LEU A 63 28.012 69.771 -37.425 1.00 14.34 H new ATOM 0 HD11 LEU A 63 30.094 70.780 -38.279 1.00 52.54 H new ATOM 0 HD12 LEU A 63 29.930 69.080 -38.779 1.00 52.54 H new ATOM 0 HD13 LEU A 63 29.596 70.386 -39.941 1.00 52.54 H new ATOM 0 HD21 LEU A 63 28.101 72.184 -37.943 1.00 61.01 H new ATOM 0 HD22 LEU A 63 27.527 71.844 -39.593 1.00 61.01 H new ATOM 0 HD23 LEU A 63 26.472 71.513 -38.198 1.00 61.01 H new ATOM 931 N GLY A 64 25.515 66.815 -39.944 1.00 54.14 N ATOM 932 CA GLY A 64 24.896 65.850 -40.831 1.00 43.53 C ATOM 933 C GLY A 64 23.800 65.059 -40.144 1.00 42.50 C ATOM 934 O GLY A 64 23.215 64.150 -40.734 1.00 45.41 O ATOM 0 H GLY A 64 26.304 66.460 -39.403 1.00 54.14 H new ATOM 0 HA2 GLY A 64 24.480 66.368 -41.695 1.00 43.53 H new ATOM 0 HA3 GLY A 64 25.656 65.164 -41.206 1.00 43.53 H new ATOM 938 N GLY A 65 23.516 65.404 -38.897 1.00 25.24 N ATOM 939 CA GLY A 65 22.507 64.688 -38.141 1.00 5.50 C ATOM 940 C GLY A 65 21.147 65.347 -38.226 1.00 33.53 C ATOM 941 O GLY A 65 20.132 64.666 -38.380 1.00 11.34 O ATOM 0 H GLY A 65 23.967 66.168 -38.394 1.00 25.24 H new ATOM 0 HA2 GLY A 65 22.436 63.666 -38.512 1.00 5.50 H new ATOM 0 HA3 GLY A 65 22.814 64.628 -37.097 1.00 5.50 H new ATOM 945 N LEU A 66 21.123 66.676 -38.144 1.00 53.33 N ATOM 946 CA LEU A 66 19.876 67.428 -38.251 1.00 72.23 C ATOM 947 C LEU A 66 19.221 67.184 -39.606 1.00 34.12 C ATOM 948 O LEU A 66 18.005 67.302 -39.754 1.00 33.03 O ATOM 949 CB LEU A 66 20.125 68.929 -38.055 1.00 31.31 C ATOM 950 CG LEU A 66 20.598 69.338 -36.658 1.00 64.21 C ATOM 951 CD1 LEU A 66 20.818 70.841 -36.594 1.00 22.03 C ATOM 952 CD2 LEU A 66 19.594 68.903 -35.604 1.00 65.03 C ATOM 0 H LEU A 66 21.952 67.253 -38.004 1.00 53.33 H new ATOM 0 HA LEU A 66 19.205 67.081 -37.465 1.00 72.23 H new ATOM 0 HB2 LEU A 66 20.869 69.255 -38.782 1.00 31.31 H new ATOM 0 HB3 LEU A 66 19.203 69.466 -38.280 1.00 31.31 H new ATOM 0 HG LEU A 66 21.545 68.839 -36.455 1.00 64.21 H new ATOM 0 HD11 LEU A 66 21.154 71.117 -35.595 1.00 22.03 H new ATOM 0 HD12 LEU A 66 21.574 71.129 -37.324 1.00 22.03 H new ATOM 0 HD13 LEU A 66 19.883 71.355 -36.818 1.00 22.03 H new ATOM 0 HD21 LEU A 66 19.949 69.203 -34.618 1.00 65.03 H new ATOM 0 HD22 LEU A 66 18.631 69.374 -35.802 1.00 65.03 H new ATOM 0 HD23 LEU A 66 19.481 67.819 -35.635 1.00 65.03 H new ATOM 964 N LEU A 67 20.042 66.825 -40.585 1.00 53.21 N ATOM 965 CA LEU A 67 19.560 66.517 -41.923 1.00 64.45 C ATOM 966 C LEU A 67 18.640 65.295 -41.898 1.00 60.43 C ATOM 967 O LEU A 67 17.587 65.284 -42.537 1.00 44.24 O ATOM 968 CB LEU A 67 20.746 66.270 -42.858 1.00 51.43 C ATOM 969 CG LEU A 67 21.750 67.422 -42.957 1.00 3.00 C ATOM 970 CD1 LEU A 67 22.919 67.035 -43.846 1.00 70.32 C ATOM 971 CD2 LEU A 67 21.073 68.677 -43.485 1.00 22.21 C ATOM 0 H LEU A 67 21.052 66.740 -40.474 1.00 53.21 H new ATOM 0 HA LEU A 67 18.986 67.367 -42.292 1.00 64.45 H new ATOM 0 HB2 LEU A 67 21.274 65.378 -42.521 1.00 51.43 H new ATOM 0 HB3 LEU A 67 20.363 66.056 -43.856 1.00 51.43 H new ATOM 0 HG LEU A 67 22.131 67.631 -41.958 1.00 3.00 H new ATOM 0 HD11 LEU A 67 23.622 67.866 -43.905 1.00 70.32 H new ATOM 0 HD12 LEU A 67 23.422 66.163 -43.427 1.00 70.32 H new ATOM 0 HD13 LEU A 67 22.553 66.798 -44.845 1.00 70.32 H new ATOM 0 HD21 LEU A 67 21.802 69.485 -43.548 1.00 22.21 H new ATOM 0 HD22 LEU A 67 20.663 68.480 -44.475 1.00 22.21 H new ATOM 0 HD23 LEU A 67 20.268 68.967 -42.810 1.00 22.21 H new ATOM 983 N SER A 68 19.029 64.278 -41.135 1.00 40.32 N ATOM 984 CA SER A 68 18.234 63.062 -41.008 1.00 11.31 C ATOM 985 C SER A 68 16.939 63.349 -40.247 1.00 75.02 C ATOM 986 O SER A 68 15.908 62.716 -40.484 1.00 75.11 O ATOM 987 CB SER A 68 19.047 61.990 -40.282 1.00 0.14 C ATOM 988 OG SER A 68 20.316 61.821 -40.893 1.00 4.11 O ATOM 0 H SER A 68 19.893 64.273 -40.594 1.00 40.32 H new ATOM 0 HA SER A 68 17.975 62.702 -42.004 1.00 11.31 H new ATOM 0 HB2 SER A 68 19.176 62.271 -39.237 1.00 0.14 H new ATOM 0 HB3 SER A 68 18.504 61.045 -40.294 1.00 0.14 H new ATOM 0 HG SER A 68 20.821 61.132 -40.413 1.00 4.11 H new ATOM 994 N ASN A 69 16.998 64.329 -39.351 1.00 22.22 N ATOM 995 CA ASN A 69 15.829 64.744 -38.577 1.00 3.21 C ATOM 996 C ASN A 69 14.776 65.370 -39.488 1.00 33.23 C ATOM 997 O ASN A 69 13.585 65.358 -39.183 1.00 41.32 O ATOM 998 CB ASN A 69 16.248 65.736 -37.482 1.00 53.44 C ATOM 999 CG ASN A 69 15.070 66.316 -36.715 1.00 25.14 C ATOM 1000 OD1 ASN A 69 14.618 65.744 -35.722 1.00 41.35 O ATOM 1001 ND2 ASN A 69 14.576 67.465 -37.163 1.00 2.13 N ATOM 0 H ASN A 69 17.847 64.854 -39.141 1.00 22.22 H new ATOM 0 HA ASN A 69 15.393 63.863 -38.106 1.00 3.21 H new ATOM 0 HB2 ASN A 69 16.917 65.234 -36.783 1.00 53.44 H new ATOM 0 HB3 ASN A 69 16.814 66.550 -37.935 1.00 53.44 H new ATOM 0 HD21 ASN A 69 13.793 67.906 -36.681 1.00 2.13 H new ATOM 0 HD22 ASN A 69 14.980 67.906 -37.989 1.00 2.13 H new ATOM 1008 N ILE A 70 15.223 65.910 -40.614 1.00 71.41 N ATOM 1009 CA ILE A 70 14.319 66.508 -41.586 1.00 54.25 C ATOM 1010 C ILE A 70 13.602 65.420 -42.383 1.00 15.54 C ATOM 1011 O ILE A 70 12.446 65.581 -42.782 1.00 23.53 O ATOM 1012 CB ILE A 70 15.076 67.450 -42.553 1.00 3.10 C ATOM 1013 CG1 ILE A 70 15.799 68.554 -41.771 1.00 23.53 C ATOM 1014 CG2 ILE A 70 14.129 68.063 -43.576 1.00 12.32 C ATOM 1015 CD1 ILE A 70 14.881 69.403 -40.912 1.00 42.43 C ATOM 0 H ILE A 70 16.208 65.946 -40.877 1.00 71.41 H new ATOM 0 HA ILE A 70 13.585 67.098 -41.037 1.00 54.25 H new ATOM 0 HB ILE A 70 15.816 66.856 -43.089 1.00 3.10 H new ATOM 0 HG12 ILE A 70 16.557 68.097 -41.134 1.00 23.53 H new ATOM 0 HG13 ILE A 70 16.322 69.201 -42.475 1.00 23.53 H new ATOM 0 HG21 ILE A 70 14.688 68.720 -44.242 1.00 12.32 H new ATOM 0 HG22 ILE A 70 13.660 67.270 -44.159 1.00 12.32 H new ATOM 0 HG23 ILE A 70 13.360 68.638 -43.061 1.00 12.32 H new ATOM 0 HD11 ILE A 70 15.467 70.160 -40.391 1.00 42.43 H new ATOM 0 HD12 ILE A 70 14.139 69.890 -41.544 1.00 42.43 H new ATOM 0 HD13 ILE A 70 14.377 68.770 -40.182 1.00 42.43 H new ATOM 1129 N MET A 78 19.137 45.649 -37.968 1.00 12.00 N ATOM 1130 CA MET A 78 18.640 44.377 -38.471 1.00 2.03 C ATOM 1131 C MET A 78 19.442 43.262 -37.809 1.00 70.13 C ATOM 1132 O MET A 78 20.659 43.175 -37.987 1.00 44.34 O ATOM 1133 CB MET A 78 18.768 44.306 -39.995 1.00 63.14 C ATOM 1134 CG MET A 78 18.261 43.002 -40.596 1.00 52.15 C ATOM 1135 SD MET A 78 18.306 43.011 -42.400 1.00 73.31 S ATOM 1136 CE MET A 78 17.731 41.353 -42.761 1.00 35.54 C ATOM 0 HA MET A 78 17.582 44.270 -38.231 1.00 2.03 H new ATOM 0 HB2 MET A 78 18.216 45.136 -40.435 1.00 63.14 H new ATOM 0 HB3 MET A 78 19.815 44.438 -40.269 1.00 63.14 H new ATOM 0 HG2 MET A 78 18.866 42.175 -40.225 1.00 52.15 H new ATOM 0 HG3 MET A 78 17.239 42.825 -40.262 1.00 52.15 H new ATOM 0 HE1 MET A 78 17.704 41.204 -43.840 1.00 35.54 H new ATOM 0 HE2 MET A 78 18.409 40.627 -42.312 1.00 35.54 H new ATOM 0 HE3 MET A 78 16.730 41.218 -42.351 1.00 35.54 H new ATOM 1146 N VAL A 79 18.766 42.430 -37.030 1.00 63.22 N ATOM 1147 CA VAL A 79 19.450 41.478 -36.162 1.00 53.31 C ATOM 1148 C VAL A 79 19.906 40.239 -36.918 1.00 34.33 C ATOM 1149 O VAL A 79 19.109 39.347 -37.215 1.00 23.05 O ATOM 1150 CB VAL A 79 18.562 41.042 -34.978 1.00 51.15 C ATOM 1151 CG1 VAL A 79 19.367 40.228 -33.982 1.00 62.34 C ATOM 1152 CG2 VAL A 79 17.931 42.249 -34.308 1.00 20.14 C ATOM 0 H VAL A 79 17.748 42.393 -36.980 1.00 63.22 H new ATOM 0 HA VAL A 79 20.327 42.001 -35.780 1.00 53.31 H new ATOM 0 HB VAL A 79 17.759 40.413 -35.362 1.00 51.15 H new ATOM 0 HG11 VAL A 79 18.725 39.929 -33.153 1.00 62.34 H new ATOM 0 HG12 VAL A 79 19.763 39.339 -34.474 1.00 62.34 H new ATOM 0 HG13 VAL A 79 20.192 40.830 -33.602 1.00 62.34 H new ATOM 0 HG21 VAL A 79 17.309 41.919 -33.476 1.00 20.14 H new ATOM 0 HG22 VAL A 79 18.714 42.910 -33.936 1.00 20.14 H new ATOM 0 HG23 VAL A 79 17.316 42.786 -35.030 1.00 20.14 H new ATOM 1162 N THR A 80 21.190 40.186 -37.222 1.00 24.24 N ATOM 1163 CA THR A 80 21.779 39.014 -37.840 1.00 43.31 C ATOM 1164 C THR A 80 22.656 38.294 -36.814 1.00 22.22 C ATOM 1165 O THR A 80 22.998 38.868 -35.778 1.00 20.53 O ATOM 1166 CB THR A 80 22.613 39.414 -39.075 1.00 4.42 C ATOM 1167 OG1 THR A 80 21.886 40.376 -39.847 1.00 23.43 O ATOM 1168 CG2 THR A 80 22.936 38.210 -39.950 1.00 23.11 C ATOM 0 H THR A 80 21.848 40.946 -37.049 1.00 24.24 H new ATOM 0 HA THR A 80 20.986 38.345 -38.172 1.00 43.31 H new ATOM 0 HB THR A 80 23.553 39.839 -38.723 1.00 4.42 H new ATOM 0 HG1 THR A 80 22.337 40.514 -40.706 1.00 23.43 H new ATOM 0 HG21 THR A 80 23.524 38.532 -40.809 1.00 23.11 H new ATOM 0 HG22 THR A 80 23.506 37.483 -39.372 1.00 23.11 H new ATOM 0 HG23 THR A 80 22.009 37.752 -40.296 1.00 23.11 H new ATOM 1176 N ASN A 81 22.996 37.042 -37.087 1.00 12.13 N ATOM 1177 CA ASN A 81 23.807 36.248 -36.168 1.00 13.33 C ATOM 1178 C ASN A 81 25.208 36.833 -36.029 1.00 53.52 C ATOM 1179 O ASN A 81 25.717 36.991 -34.921 1.00 72.31 O ATOM 1180 CB ASN A 81 23.893 34.792 -36.637 1.00 31.34 C ATOM 1181 CG ASN A 81 22.560 34.070 -36.554 1.00 23.22 C ATOM 1182 OD1 ASN A 81 21.497 34.683 -36.660 1.00 55.05 O ATOM 1183 ND2 ASN A 81 22.605 32.762 -36.368 1.00 51.02 N ATOM 0 H ASN A 81 22.723 36.551 -37.939 1.00 12.13 H new ATOM 0 HA ASN A 81 23.322 36.275 -35.192 1.00 13.33 H new ATOM 0 HB2 ASN A 81 24.252 34.767 -37.666 1.00 31.34 H new ATOM 0 HB3 ASN A 81 24.627 34.262 -36.030 1.00 31.34 H new ATOM 0 HD21 ASN A 81 21.740 32.225 -36.308 1.00 51.02 H new ATOM 0 HD22 ASN A 81 23.505 32.289 -36.285 1.00 51.02 H new ATOM 1190 N ASP A 82 25.823 37.169 -37.155 1.00 32.11 N ATOM 1191 CA ASP A 82 27.166 37.732 -37.138 1.00 24.13 C ATOM 1192 C ASP A 82 27.138 39.224 -37.423 1.00 61.51 C ATOM 1193 O ASP A 82 27.208 40.042 -36.510 1.00 75.51 O ATOM 1194 CB ASP A 82 28.070 37.037 -38.161 1.00 23.52 C ATOM 1195 CG ASP A 82 28.339 35.590 -37.821 1.00 72.21 C ATOM 1196 OD1 ASP A 82 29.128 35.332 -36.888 1.00 63.25 O ATOM 1197 OD2 ASP A 82 27.775 34.706 -38.497 1.00 30.43 O1- ATOM 0 H ASP A 82 25.417 37.063 -38.085 1.00 32.11 H new ATOM 0 HA ASP A 82 27.570 37.569 -36.139 1.00 24.13 H new ATOM 0 HB2 ASP A 82 27.606 37.093 -39.146 1.00 23.52 H new ATOM 0 HB3 ASP A 82 29.017 37.572 -38.224 1.00 23.52 H new ATOM 1202 N TYR A 83 27.017 39.566 -38.698 1.00 2.10 N ATOM 1203 CA TYR A 83 27.073 40.951 -39.140 1.00 61.22 C ATOM 1204 C TYR A 83 25.872 41.743 -38.647 1.00 25.13 C ATOM 1205 O TYR A 83 24.725 41.392 -38.924 1.00 35.42 O ATOM 1206 CB TYR A 83 27.138 41.007 -40.670 1.00 22.35 C ATOM 1207 CG TYR A 83 28.432 40.471 -41.248 1.00 63.34 C ATOM 1208 CD1 TYR A 83 28.711 39.110 -41.252 1.00 54.31 C ATOM 1209 CD2 TYR A 83 29.371 41.331 -41.797 1.00 61.31 C ATOM 1210 CE1 TYR A 83 29.892 38.624 -41.783 1.00 54.50 C ATOM 1211 CE2 TYR A 83 30.552 40.856 -42.330 1.00 43.02 C ATOM 1212 CZ TYR A 83 30.808 39.503 -42.321 1.00 0.23 C ATOM 1213 OH TYR A 83 31.986 39.029 -42.854 1.00 35.22 O ATOM 0 H TYR A 83 26.878 38.894 -39.452 1.00 2.10 H new ATOM 0 HA TYR A 83 27.971 41.402 -38.717 1.00 61.22 H new ATOM 0 HB2 TYR A 83 26.304 40.437 -41.081 1.00 22.35 H new ATOM 0 HB3 TYR A 83 27.008 42.040 -40.992 1.00 22.35 H new ATOM 0 HD1 TYR A 83 27.994 38.420 -40.833 1.00 54.31 H new ATOM 0 HD2 TYR A 83 29.174 42.393 -41.808 1.00 61.31 H new ATOM 0 HE1 TYR A 83 30.095 37.563 -41.776 1.00 54.50 H new ATOM 0 HE2 TYR A 83 31.272 41.542 -42.752 1.00 43.02 H new ATOM 0 HH TYR A 83 32.518 39.780 -43.191 1.00 35.22 H new ATOM 1223 N ILE A 84 26.140 42.814 -37.921 1.00 71.04 N ATOM 1224 CA ILE A 84 25.084 43.696 -37.461 1.00 33.43 C ATOM 1225 C ILE A 84 24.770 44.694 -38.564 1.00 24.33 C ATOM 1226 O ILE A 84 25.565 45.596 -38.846 1.00 13.30 O ATOM 1227 CB ILE A 84 25.451 44.460 -36.164 1.00 35.11 C ATOM 1228 CG1 ILE A 84 25.839 43.497 -35.035 1.00 70.51 C ATOM 1229 CG2 ILE A 84 24.288 45.336 -35.722 1.00 63.41 C ATOM 1230 CD1 ILE A 84 27.272 43.012 -35.103 1.00 21.15 C ATOM 0 H ILE A 84 27.079 43.093 -37.638 1.00 71.04 H new ATOM 0 HA ILE A 84 24.218 43.077 -37.226 1.00 33.43 H new ATOM 0 HB ILE A 84 26.314 45.089 -36.383 1.00 35.11 H new ATOM 0 HG12 ILE A 84 25.679 43.993 -34.078 1.00 70.51 H new ATOM 0 HG13 ILE A 84 25.173 42.635 -35.062 1.00 70.51 H new ATOM 0 HG21 ILE A 84 24.559 45.867 -34.810 1.00 63.41 H new ATOM 0 HG22 ILE A 84 24.057 46.057 -36.506 1.00 63.41 H new ATOM 0 HG23 ILE A 84 23.414 44.712 -35.533 1.00 63.41 H new ATOM 0 HD11 ILE A 84 27.467 42.336 -34.271 1.00 21.15 H new ATOM 0 HD12 ILE A 84 27.434 42.486 -36.044 1.00 21.15 H new ATOM 0 HD13 ILE A 84 27.948 43.865 -35.044 1.00 21.15 H new ATOM 1242 N VAL A 85 23.631 44.510 -39.203 1.00 45.21 N ATOM 1243 CA VAL A 85 23.263 45.328 -40.341 1.00 41.00 C ATOM 1244 C VAL A 85 22.495 46.566 -39.888 1.00 52.13 C ATOM 1245 O VAL A 85 21.406 46.461 -39.328 1.00 43.50 O ATOM 1246 CB VAL A 85 22.410 44.525 -41.345 1.00 62.43 C ATOM 1247 CG1 VAL A 85 22.204 45.319 -42.624 1.00 1.04 C ATOM 1248 CG2 VAL A 85 23.051 43.178 -41.648 1.00 64.33 C ATOM 0 H VAL A 85 22.943 43.799 -38.952 1.00 45.21 H new ATOM 0 HA VAL A 85 24.182 45.641 -40.836 1.00 41.00 H new ATOM 0 HB VAL A 85 21.436 44.341 -40.892 1.00 62.43 H new ATOM 0 HG11 VAL A 85 21.600 44.737 -43.320 1.00 1.04 H new ATOM 0 HG12 VAL A 85 21.693 46.254 -42.394 1.00 1.04 H new ATOM 0 HG13 VAL A 85 23.171 45.537 -43.077 1.00 1.04 H new ATOM 0 HG21 VAL A 85 22.430 42.631 -42.358 1.00 64.33 H new ATOM 0 HG22 VAL A 85 24.041 43.334 -42.076 1.00 64.33 H new ATOM 0 HG23 VAL A 85 23.141 42.602 -40.727 1.00 64.33 H new ATOM 1258 N ASP A 86 23.083 47.731 -40.108 1.00 31.13 N ATOM 1259 CA ASP A 86 22.429 48.987 -39.780 1.00 20.21 C ATOM 1260 C ASP A 86 21.981 49.682 -41.061 1.00 24.31 C ATOM 1261 O ASP A 86 22.800 50.196 -41.827 1.00 74.51 O ATOM 1262 CB ASP A 86 23.376 49.889 -38.984 1.00 4.42 C ATOM 1263 CG ASP A 86 22.693 51.139 -38.459 1.00 33.31 C ATOM 1264 OD1 ASP A 86 22.495 52.089 -39.242 1.00 21.44 O ATOM 1265 OD2 ASP A 86 22.362 51.179 -37.251 1.00 45.22 O1- ATOM 0 H ASP A 86 24.014 47.833 -40.513 1.00 31.13 H new ATOM 0 HA ASP A 86 21.554 48.783 -39.163 1.00 20.21 H new ATOM 0 HB2 ASP A 86 23.788 49.326 -38.146 1.00 4.42 H new ATOM 0 HB3 ASP A 86 24.215 50.177 -39.618 1.00 4.42 H new ATOM 1270 N ILE A 87 20.684 49.656 -41.311 1.00 70.13 N ATOM 1271 CA ILE A 87 20.125 50.249 -42.515 1.00 11.31 C ATOM 1272 C ILE A 87 19.884 51.740 -42.308 1.00 5.45 C ATOM 1273 O ILE A 87 19.194 52.136 -41.372 1.00 31.44 O ATOM 1274 CB ILE A 87 18.795 49.572 -42.905 1.00 73.15 C ATOM 1275 CG1 ILE A 87 18.985 48.058 -43.038 1.00 41.53 C ATOM 1276 CG2 ILE A 87 18.268 50.166 -44.203 1.00 33.35 C ATOM 1277 CD1 ILE A 87 17.703 47.305 -43.321 1.00 31.30 C ATOM 0 H ILE A 87 19.994 49.228 -40.693 1.00 70.13 H new ATOM 0 HA ILE A 87 20.845 50.100 -43.320 1.00 11.31 H new ATOM 0 HB ILE A 87 18.063 49.754 -42.119 1.00 73.15 H new ATOM 0 HG12 ILE A 87 19.697 47.859 -43.839 1.00 41.53 H new ATOM 0 HG13 ILE A 87 19.426 47.674 -42.118 1.00 41.53 H new ATOM 0 HG21 ILE A 87 17.329 49.681 -44.470 1.00 33.35 H new ATOM 0 HG22 ILE A 87 18.100 51.235 -44.072 1.00 33.35 H new ATOM 0 HG23 ILE A 87 18.997 50.008 -44.998 1.00 33.35 H new ATOM 0 HD11 ILE A 87 17.917 46.239 -43.402 1.00 31.30 H new ATOM 0 HD12 ILE A 87 16.996 47.472 -42.509 1.00 31.30 H new ATOM 0 HD13 ILE A 87 17.271 47.660 -44.257 1.00 31.30 H new ATOM 1289 N ALA A 88 20.451 52.570 -43.174 1.00 34.53 N ATOM 1290 CA ALA A 88 20.293 54.009 -43.046 1.00 21.21 C ATOM 1291 C ALA A 88 20.000 54.671 -44.385 1.00 23.43 C ATOM 1292 O ALA A 88 20.878 54.784 -45.237 1.00 54.14 O ATOM 1293 CB ALA A 88 21.541 54.617 -42.433 1.00 40.44 C ATOM 0 H ALA A 88 21.020 52.272 -43.966 1.00 34.53 H new ATOM 0 HA ALA A 88 19.438 54.188 -42.394 1.00 21.21 H new ATOM 0 HB1 ALA A 88 21.413 55.696 -42.341 1.00 40.44 H new ATOM 0 HB2 ALA A 88 21.708 54.186 -41.446 1.00 40.44 H new ATOM 0 HB3 ALA A 88 22.399 54.407 -43.071 1.00 40.44 H new ATOM 1299 N ASN A 89 18.765 55.099 -44.577 1.00 52.24 N ATOM 1300 CA ASN A 89 18.434 55.935 -45.718 1.00 21.13 C ATOM 1301 C ASN A 89 18.737 57.379 -45.359 1.00 22.12 C ATOM 1302 O ASN A 89 17.884 58.102 -44.853 1.00 62.21 O ATOM 1303 CB ASN A 89 16.964 55.779 -46.129 1.00 44.43 C ATOM 1304 CG ASN A 89 16.616 56.587 -47.372 1.00 51.24 C ATOM 1305 OD1 ASN A 89 16.214 57.745 -47.288 1.00 34.21 O ATOM 1306 ND2 ASN A 89 16.761 55.980 -48.540 1.00 52.10 N ATOM 0 H ASN A 89 17.980 54.884 -43.963 1.00 52.24 H new ATOM 0 HA ASN A 89 19.035 55.625 -46.572 1.00 21.13 H new ATOM 0 HB2 ASN A 89 16.752 54.726 -46.313 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.324 56.094 -45.304 1.00 44.43 H new ATOM 0 HD21 ASN A 89 16.537 56.475 -49.403 1.00 52.10 H new ATOM 0 HD22 ASN A 89 17.097 55.018 -48.576 1.00 52.10 H new ATOM 1313 N ARG A 90 19.983 57.771 -45.556 1.00 34.23 N ATOM 1314 CA ARG A 90 20.417 59.102 -45.191 1.00 61.53 C ATOM 1315 C ARG A 90 20.460 59.979 -46.436 1.00 14.51 C ATOM 1316 O ARG A 90 20.942 59.542 -47.484 1.00 31.12 O ATOM 1317 CB ARG A 90 21.783 59.035 -44.506 1.00 1.00 C ATOM 1318 CG ARG A 90 22.039 60.188 -43.554 1.00 75.44 C ATOM 1319 CD ARG A 90 23.259 59.934 -42.683 1.00 14.21 C ATOM 1320 NE ARG A 90 23.425 60.971 -41.664 1.00 45.22 N ATOM 1321 CZ ARG A 90 23.529 60.730 -40.355 1.00 45.51 C ATOM 1322 NH1 ARG A 90 23.576 59.481 -39.905 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 23.607 61.741 -39.500 1.00 21.12 N ATOM 0 H ARG A 90 20.710 57.185 -45.967 1.00 34.23 H new ATOM 0 HA ARG A 90 19.712 59.542 -44.486 1.00 61.53 H new ATOM 0 HB2 ARG A 90 21.860 58.097 -43.957 1.00 1.00 H new ATOM 0 HB3 ARG A 90 22.563 59.023 -45.268 1.00 1.00 H new ATOM 0 HG2 ARG A 90 22.183 61.106 -44.124 1.00 75.44 H new ATOM 0 HG3 ARG A 90 21.164 60.339 -42.921 1.00 75.44 H new ATOM 0 HD2 ARG A 90 23.164 58.962 -42.200 1.00 14.21 H new ATOM 0 HD3 ARG A 90 24.150 59.894 -43.309 1.00 14.21 H new ATOM 0 HE ARG A 90 23.464 61.942 -41.974 1.00 45.22 H new ATOM 0 HH11 ARG A 90 23.533 58.701 -40.561 1.00 34.45 H new ATOM 0 HH12 ARG A 90 23.656 59.302 -38.904 1.00 34.45 H new ATOM 0 HH21 ARG A 90 23.587 62.701 -39.843 1.00 21.12 H new ATOM 0 HH22 ARG A 90 23.686 61.558 -38.500 1.00 21.12 H new ATOM 1337 N ASP A 91 19.927 61.198 -46.313 1.00 14.33 N ATOM 1338 CA ASP A 91 19.750 62.112 -47.447 1.00 71.02 C ATOM 1339 C ASP A 91 18.684 61.580 -48.396 1.00 43.52 C ATOM 1340 O ASP A 91 17.578 62.121 -48.468 1.00 61.51 O ATOM 1341 CB ASP A 91 21.064 62.365 -48.202 1.00 34.34 C ATOM 1342 CG ASP A 91 22.045 63.207 -47.412 1.00 2.00 C ATOM 1343 OD1 ASP A 91 21.714 64.369 -47.094 1.00 21.24 O ATOM 1344 OD2 ASP A 91 23.161 62.722 -47.124 1.00 32.31 O1- ATOM 0 H ASP A 91 19.605 61.580 -45.424 1.00 14.33 H new ATOM 0 HA ASP A 91 19.423 63.070 -47.042 1.00 71.02 H new ATOM 0 HB2 ASP A 91 21.527 61.409 -48.445 1.00 34.34 H new ATOM 0 HB3 ASP A 91 20.844 62.862 -49.147 1.00 34.34 H new ATOM 1349 N GLY A 92 19.011 60.512 -49.104 1.00 75.32 N ATOM 1350 CA GLY A 92 18.064 59.891 -50.009 1.00 62.34 C ATOM 1351 C GLY A 92 18.671 58.713 -50.732 1.00 52.21 C ATOM 1352 O GLY A 92 18.293 58.399 -51.861 1.00 23.30 O ATOM 0 H GLY A 92 19.924 60.059 -49.068 1.00 75.32 H new ATOM 0 HA2 GLY A 92 17.188 59.562 -49.450 1.00 62.34 H new ATOM 0 HA3 GLY A 92 17.720 60.626 -50.736 1.00 62.34 H new ATOM 1356 N GLN A 93 19.619 58.058 -50.081 1.00 55.42 N ATOM 1357 CA GLN A 93 20.318 56.934 -50.681 1.00 43.03 C ATOM 1358 C GLN A 93 20.311 55.746 -49.728 1.00 53.23 C ATOM 1359 O GLN A 93 20.267 55.922 -48.509 1.00 62.41 O ATOM 1360 CB GLN A 93 21.763 57.324 -51.017 1.00 32.14 C ATOM 1361 CG GLN A 93 21.900 58.624 -51.807 1.00 62.32 C ATOM 1362 CD GLN A 93 21.762 58.459 -53.316 1.00 5.43 C ATOM 1363 OE1 GLN A 93 21.003 57.470 -53.764 1.00 25.23 O flip ATOM 1364 NE2 GLN A 93 22.352 59.224 -54.080 1.00 33.20 N flip ATOM 0 H GLN A 93 19.922 58.287 -49.134 1.00 55.42 H new ATOM 0 HA GLN A 93 19.805 56.656 -51.602 1.00 43.03 H new ATOM 0 HB2 GLN A 93 22.326 57.417 -50.088 1.00 32.14 H new ATOM 0 HB3 GLN A 93 22.221 56.516 -51.588 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.144 59.328 -51.460 1.00 62.32 H new ATOM 0 HG3 GLN A 93 22.872 59.067 -51.589 1.00 62.32 H new ATOM 0 HE21 GLN A 93 22.929 59.976 -53.703 1.00 33.20 H new ATOM 0 HE22 GLN A 93 22.264 59.105 -55.089 1.00 33.20 H new ATOM 1373 N LEU A 94 20.342 54.543 -50.285 1.00 22.14 N ATOM 1374 CA LEU A 94 20.371 53.329 -49.480 1.00 50.31 C ATOM 1375 C LEU A 94 21.780 53.053 -48.972 1.00 43.43 C ATOM 1376 O LEU A 94 22.597 52.430 -49.652 1.00 52.24 O ATOM 1377 CB LEU A 94 19.838 52.125 -50.272 1.00 41.23 C ATOM 1378 CG LEU A 94 18.308 51.985 -50.321 1.00 41.02 C ATOM 1379 CD1 LEU A 94 17.743 51.834 -48.914 1.00 1.43 C ATOM 1380 CD2 LEU A 94 17.669 53.173 -51.029 1.00 42.11 C ATOM 0 H LEU A 94 20.348 54.381 -51.292 1.00 22.14 H new ATOM 0 HA LEU A 94 19.718 53.483 -48.621 1.00 50.31 H new ATOM 0 HB2 LEU A 94 20.211 52.191 -51.294 1.00 41.23 H new ATOM 0 HB3 LEU A 94 20.254 51.215 -49.839 1.00 41.23 H new ATOM 0 HG LEU A 94 18.069 51.087 -50.892 1.00 41.02 H new ATOM 0 HD11 LEU A 94 16.659 51.736 -48.966 1.00 1.43 H new ATOM 0 HD12 LEU A 94 18.166 50.945 -48.446 1.00 1.43 H new ATOM 0 HD13 LEU A 94 18.000 52.713 -48.322 1.00 1.43 H new ATOM 0 HD21 LEU A 94 16.587 53.046 -51.048 1.00 42.11 H new ATOM 0 HD22 LEU A 94 17.917 54.091 -50.496 1.00 42.11 H new ATOM 0 HD23 LEU A 94 18.045 53.233 -52.050 1.00 42.11 H new ATOM 1392 N GLN A 95 22.059 53.549 -47.780 1.00 22.34 N ATOM 1393 CA GLN A 95 23.348 53.361 -47.146 1.00 52.10 C ATOM 1394 C GLN A 95 23.289 52.179 -46.184 1.00 55.53 C ATOM 1395 O GLN A 95 22.561 52.204 -45.188 1.00 20.22 O ATOM 1396 CB GLN A 95 23.750 54.647 -46.417 1.00 54.30 C ATOM 1397 CG GLN A 95 24.907 54.484 -45.447 1.00 4.25 C ATOM 1398 CD GLN A 95 25.345 55.801 -44.833 1.00 5.40 C ATOM 1399 OE1 GLN A 95 25.270 56.871 -45.610 1.00 14.41 O flip ATOM 1400 NE2 GLN A 95 25.771 55.853 -43.681 1.00 5.31 N flip ATOM 0 H GLN A 95 21.398 54.093 -47.226 1.00 22.34 H new ATOM 0 HA GLN A 95 24.101 53.141 -47.903 1.00 52.10 H new ATOM 0 HB2 GLN A 95 24.016 55.402 -47.157 1.00 54.30 H new ATOM 0 HB3 GLN A 95 22.886 55.026 -45.872 1.00 54.30 H new ATOM 0 HG2 GLN A 95 24.616 53.796 -44.653 1.00 4.25 H new ATOM 0 HG3 GLN A 95 25.751 54.032 -45.967 1.00 4.25 H new ATOM 0 HE21 GLN A 95 25.813 55.006 -43.114 1.00 5.31 H new ATOM 0 HE22 GLN A 95 26.082 56.743 -43.292 1.00 5.31 H new ATOM 1409 N LEU A 96 24.040 51.135 -46.500 1.00 75.11 N ATOM 1410 CA LEU A 96 24.045 49.928 -45.692 1.00 53.33 C ATOM 1411 C LEU A 96 25.286 49.886 -44.806 1.00 12.32 C ATOM 1412 O LEU A 96 26.408 49.767 -45.304 1.00 51.50 O ATOM 1413 CB LEU A 96 24.000 48.692 -46.595 1.00 11.23 C ATOM 1414 CG LEU A 96 23.662 47.384 -45.884 1.00 54.15 C ATOM 1415 CD1 LEU A 96 22.233 47.428 -45.363 1.00 12.31 C ATOM 1416 CD2 LEU A 96 23.859 46.198 -46.818 1.00 11.35 C ATOM 0 H LEU A 96 24.655 51.101 -47.313 1.00 75.11 H new ATOM 0 HA LEU A 96 23.162 49.932 -45.053 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.264 48.861 -47.381 1.00 11.23 H new ATOM 0 HB3 LEU A 96 24.968 48.582 -47.084 1.00 11.23 H new ATOM 0 HG LEU A 96 24.338 47.261 -45.038 1.00 54.15 H new ATOM 0 HD11 LEU A 96 22.001 46.491 -44.857 1.00 12.31 H new ATOM 0 HD12 LEU A 96 22.127 48.255 -44.661 1.00 12.31 H new ATOM 0 HD13 LEU A 96 21.546 47.570 -46.197 1.00 12.31 H new ATOM 0 HD21 LEU A 96 23.613 45.276 -46.292 1.00 11.35 H new ATOM 0 HD22 LEU A 96 23.208 46.306 -47.685 1.00 11.35 H new ATOM 0 HD23 LEU A 96 24.898 46.162 -47.146 1.00 11.35 H new ATOM 1428 N ASN A 97 25.086 49.993 -43.502 1.00 24.34 N ATOM 1429 CA ASN A 97 26.196 49.965 -42.556 1.00 24.31 C ATOM 1430 C ASN A 97 26.418 48.547 -42.052 1.00 43.41 C ATOM 1431 O ASN A 97 25.658 48.050 -41.219 1.00 33.42 O ATOM 1432 CB ASN A 97 25.934 50.897 -41.366 1.00 32.34 C ATOM 1433 CG ASN A 97 25.750 52.346 -41.777 1.00 4.11 C ATOM 1434 OD1 ASN A 97 26.720 53.091 -41.908 1.00 11.22 O ATOM 1435 ND2 ASN A 97 24.505 52.762 -41.958 1.00 2.51 N ATOM 0 H ASN A 97 24.167 50.100 -43.072 1.00 24.34 H new ATOM 0 HA ASN A 97 27.089 50.312 -43.077 1.00 24.31 H new ATOM 0 HB2 ASN A 97 25.043 50.559 -40.836 1.00 32.34 H new ATOM 0 HB3 ASN A 97 26.767 50.827 -40.666 1.00 32.34 H new ATOM 0 HD21 ASN A 97 24.324 53.732 -42.216 1.00 2.51 H new ATOM 0 HD22 ASN A 97 23.728 52.112 -41.840 1.00 2.51 H new ATOM 1442 N VAL A 98 27.444 47.891 -42.568 1.00 45.14 N ATOM 1443 CA VAL A 98 27.752 46.534 -42.160 1.00 72.02 C ATOM 1444 C VAL A 98 28.768 46.526 -41.031 1.00 15.31 C ATOM 1445 O VAL A 98 29.939 46.859 -41.216 1.00 42.35 O ATOM 1446 CB VAL A 98 28.265 45.694 -43.344 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.775 44.348 -42.880 1.00 50.42 C ATOM 1448 CG2 VAL A 98 27.160 45.507 -44.363 1.00 24.02 C ATOM 0 H VAL A 98 28.076 48.277 -43.269 1.00 45.14 H new ATOM 0 HA VAL A 98 26.827 46.083 -41.800 1.00 72.02 H new ATOM 0 HB VAL A 98 29.095 46.229 -43.805 1.00 44.14 H new ATOM 0 HG11 VAL A 98 29.130 43.778 -43.738 1.00 50.42 H new ATOM 0 HG12 VAL A 98 29.594 44.492 -42.176 1.00 50.42 H new ATOM 0 HG13 VAL A 98 27.968 43.802 -42.391 1.00 50.42 H new ATOM 0 HG21 VAL A 98 27.531 44.912 -45.197 1.00 24.02 H new ATOM 0 HG22 VAL A 98 26.319 44.994 -43.897 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.834 46.481 -44.729 1.00 24.02 H new ATOM 1458 N THR A 99 28.299 46.168 -39.854 1.00 13.53 N ATOM 1459 CA THR A 99 29.156 46.044 -38.697 1.00 63.52 C ATOM 1460 C THR A 99 29.548 44.585 -38.501 1.00 34.14 C ATOM 1461 O THR A 99 28.718 43.761 -38.112 1.00 52.04 O ATOM 1462 CB THR A 99 28.434 46.568 -37.447 1.00 15.12 C ATOM 1463 OG1 THR A 99 27.969 47.900 -37.697 1.00 32.14 O ATOM 1464 CG2 THR A 99 29.346 46.557 -36.231 1.00 64.32 C ATOM 0 H THR A 99 27.318 45.956 -39.674 1.00 13.53 H new ATOM 0 HA THR A 99 30.057 46.637 -38.856 1.00 63.52 H new ATOM 0 HB THR A 99 27.591 45.911 -37.234 1.00 15.12 H new ATOM 0 HG1 THR A 99 27.506 48.239 -36.903 1.00 32.14 H new ATOM 0 HG21 THR A 99 28.802 46.934 -35.365 1.00 64.32 H new ATOM 0 HG22 THR A 99 29.679 45.538 -36.035 1.00 64.32 H new ATOM 0 HG23 THR A 99 30.212 47.191 -36.420 1.00 64.32 H new ATOM 1472 N ASP A 100 30.798 44.259 -38.800 1.00 61.11 N ATOM 1473 CA ASP A 100 31.254 42.878 -38.733 1.00 23.41 C ATOM 1474 C ASP A 100 31.399 42.408 -37.292 1.00 63.40 C ATOM 1475 O ASP A 100 31.739 43.182 -36.397 1.00 62.23 O ATOM 1476 CB ASP A 100 32.583 42.704 -39.468 1.00 14.41 C ATOM 1477 CG ASP A 100 32.990 41.245 -39.589 1.00 53.52 C ATOM 1478 OD1 ASP A 100 34.191 40.975 -39.768 1.00 4.12 O ATOM 1479 OD2 ASP A 100 32.115 40.364 -39.478 1.00 11.31 O1- ATOM 0 H ASP A 100 31.511 44.928 -39.090 1.00 61.11 H new ATOM 0 HA ASP A 100 30.496 42.266 -39.221 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.505 43.140 -40.464 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.362 43.253 -38.940 1.00 14.41 H new ATOM 1484 N ARG A 101 31.141 41.129 -37.094 1.00 1.22 N ATOM 1485 CA ARG A 101 31.278 40.489 -35.798 1.00 70.42 C ATOM 1486 C ARG A 101 32.645 39.823 -35.697 1.00 41.44 C ATOM 1487 O ARG A 101 33.197 39.661 -34.608 1.00 3.54 O ATOM 1488 CB ARG A 101 30.179 39.436 -35.637 1.00 70.04 C ATOM 1489 CG ARG A 101 30.270 38.623 -34.358 1.00 12.41 C ATOM 1490 CD ARG A 101 29.321 37.438 -34.396 1.00 13.24 C ATOM 1491 NE ARG A 101 29.406 36.624 -33.186 1.00 14.53 N ATOM 1492 CZ ARG A 101 29.172 35.313 -33.152 1.00 32.32 C ATOM 1493 NH1 ARG A 101 28.904 34.652 -34.272 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 29.243 34.653 -32.002 1.00 52.25 N ATOM 0 H ARG A 101 30.828 40.500 -37.833 1.00 1.22 H new ATOM 0 HA ARG A 101 31.186 41.237 -35.010 1.00 70.42 H new ATOM 0 HB2 ARG A 101 29.209 39.933 -35.669 1.00 70.04 H new ATOM 0 HB3 ARG A 101 30.217 38.756 -36.488 1.00 70.04 H new ATOM 0 HG2 ARG A 101 31.292 38.270 -34.219 1.00 12.41 H new ATOM 0 HG3 ARG A 101 30.032 39.256 -33.503 1.00 12.41 H new ATOM 0 HD2 ARG A 101 28.299 37.797 -34.519 1.00 13.24 H new ATOM 0 HD3 ARG A 101 29.549 36.820 -35.264 1.00 13.24 H new ATOM 0 HE ARG A 101 29.660 37.088 -32.314 1.00 14.53 H new ATOM 0 HH11 ARG A 101 28.877 35.148 -35.163 1.00 20.33 H new ATOM 0 HH12 ARG A 101 28.725 33.648 -34.241 1.00 20.33 H new ATOM 0 HH21 ARG A 101 29.477 35.150 -31.142 1.00 52.25 H new ATOM 0 HH22 ARG A 101 29.063 33.649 -31.978 1.00 52.25 H new ATOM 1508 N LYS A 102 33.193 39.457 -36.847 1.00 25.22 N ATOM 1509 CA LYS A 102 34.424 38.684 -36.898 1.00 51.24 C ATOM 1510 C LYS A 102 35.644 39.593 -36.799 1.00 24.03 C ATOM 1511 O LYS A 102 36.380 39.550 -35.813 1.00 61.52 O ATOM 1512 CB LYS A 102 34.464 37.862 -38.185 1.00 63.24 C ATOM 1513 CG LYS A 102 33.135 37.195 -38.497 1.00 64.00 C ATOM 1514 CD LYS A 102 33.204 36.309 -39.726 1.00 42.35 C ATOM 1515 CE LYS A 102 33.983 35.035 -39.449 1.00 32.33 C ATOM 1516 NZ LYS A 102 33.831 34.047 -40.547 1.00 73.14 N1+ ATOM 0 H LYS A 102 32.802 39.685 -37.761 1.00 25.22 H new ATOM 0 HA LYS A 102 34.447 38.006 -36.045 1.00 51.24 H new ATOM 0 HB2 LYS A 102 34.745 38.509 -39.016 1.00 63.24 H new ATOM 0 HB3 LYS A 102 35.238 37.099 -38.100 1.00 63.24 H new ATOM 0 HG2 LYS A 102 32.822 36.598 -37.640 1.00 64.00 H new ATOM 0 HG3 LYS A 102 32.374 37.961 -38.648 1.00 64.00 H new ATOM 0 HD2 LYS A 102 32.195 36.056 -40.051 1.00 42.35 H new ATOM 0 HD3 LYS A 102 33.675 36.855 -40.544 1.00 42.35 H new ATOM 0 HE2 LYS A 102 35.038 35.275 -39.319 1.00 32.33 H new ATOM 0 HE3 LYS A 102 33.639 34.595 -38.513 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 34.377 33.191 -40.322 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 32.827 33.799 -40.654 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 34.183 34.458 -41.435 1.00 73.14 H new ATOM 1530 N THR A 103 35.847 40.428 -37.807 1.00 32.11 N ATOM 1531 CA THR A 103 36.972 41.353 -37.812 1.00 65.25 C ATOM 1532 C THR A 103 36.598 42.645 -37.092 1.00 51.12 C ATOM 1533 O THR A 103 37.464 43.417 -36.673 1.00 72.12 O ATOM 1534 CB THR A 103 37.440 41.673 -39.248 1.00 3.51 C ATOM 1535 OG1 THR A 103 36.368 42.250 -40.007 1.00 71.14 O ATOM 1536 CG2 THR A 103 37.938 40.414 -39.941 1.00 15.44 C ATOM 0 H THR A 103 35.249 40.485 -38.631 1.00 32.11 H new ATOM 0 HA THR A 103 37.796 40.870 -37.287 1.00 65.25 H new ATOM 0 HB THR A 103 38.259 42.390 -39.186 1.00 3.51 H new ATOM 0 HG1 THR A 103 35.689 41.566 -40.186 1.00 71.14 H new ATOM 0 HG21 THR A 103 38.263 40.660 -40.952 1.00 15.44 H new ATOM 0 HG22 THR A 103 38.775 39.998 -39.381 1.00 15.44 H new ATOM 0 HG23 THR A 103 37.132 39.681 -39.987 1.00 15.44 H new ATOM 1544 N GLY A 104 35.293 42.863 -36.960 1.00 65.24 N ATOM 1545 CA GLY A 104 34.780 44.012 -36.236 1.00 42.41 C ATOM 1546 C GLY A 104 34.984 45.316 -36.979 1.00 24.42 C ATOM 1547 O GLY A 104 34.978 46.391 -36.377 1.00 13.23 O ATOM 0 H GLY A 104 34.572 42.254 -37.348 1.00 65.24 H new ATOM 0 HA2 GLY A 104 33.716 43.870 -36.047 1.00 42.41 H new ATOM 0 HA3 GLY A 104 35.271 44.072 -35.265 1.00 42.41 H new ATOM 1551 N GLN A 105 35.169 45.221 -38.285 1.00 51.35 N ATOM 1552 CA GLN A 105 35.289 46.397 -39.123 1.00 72.04 C ATOM 1553 C GLN A 105 33.909 46.833 -39.592 1.00 12.40 C ATOM 1554 O GLN A 105 33.079 46.004 -39.971 1.00 64.30 O ATOM 1555 CB GLN A 105 36.193 46.118 -40.330 1.00 71.44 C ATOM 1556 CG GLN A 105 37.638 45.817 -39.964 1.00 11.23 C ATOM 1557 CD GLN A 105 38.299 46.958 -39.215 1.00 44.43 C ATOM 1558 OE1 GLN A 105 37.946 48.125 -39.392 1.00 42.45 O ATOM 1559 NE2 GLN A 105 39.270 46.631 -38.381 1.00 23.32 N ATOM 0 H GLN A 105 35.239 44.336 -38.788 1.00 51.35 H new ATOM 0 HA GLN A 105 35.742 47.197 -38.538 1.00 72.04 H new ATOM 0 HB2 GLN A 105 35.787 45.274 -40.888 1.00 71.44 H new ATOM 0 HB3 GLN A 105 36.170 46.981 -40.996 1.00 71.44 H new ATOM 0 HG2 GLN A 105 37.674 44.916 -39.352 1.00 11.23 H new ATOM 0 HG3 GLN A 105 38.203 45.608 -40.872 1.00 11.23 H new ATOM 0 HE21 GLN A 105 39.533 45.653 -38.263 1.00 23.32 H new ATOM 0 HE22 GLN A 105 39.757 47.357 -37.856 1.00 23.32 H new ATOM 1568 N THR A 106 33.655 48.127 -39.541 1.00 25.35 N ATOM 1569 CA THR A 106 32.377 48.660 -39.967 1.00 43.25 C ATOM 1570 C THR A 106 32.458 49.174 -41.396 1.00 44.11 C ATOM 1571 O THR A 106 32.893 50.301 -41.643 1.00 33.22 O ATOM 1572 CB THR A 106 31.904 49.783 -39.028 1.00 61.32 C ATOM 1573 OG1 THR A 106 32.972 50.716 -38.801 1.00 1.35 O ATOM 1574 CG2 THR A 106 31.431 49.212 -37.700 1.00 5.13 C ATOM 0 H THR A 106 34.318 48.828 -39.209 1.00 25.35 H new ATOM 0 HA THR A 106 31.650 47.849 -39.926 1.00 43.25 H new ATOM 0 HB THR A 106 31.069 50.297 -39.503 1.00 61.32 H new ATOM 0 HG1 THR A 106 33.373 50.970 -39.659 1.00 1.35 H new ATOM 0 HG21 THR A 106 31.101 50.024 -37.052 1.00 5.13 H new ATOM 0 HG22 THR A 106 30.602 48.526 -37.874 1.00 5.13 H new ATOM 0 HG23 THR A 106 32.251 48.676 -37.222 1.00 5.13 H new ATOM 1582 N SER A 107 32.050 48.335 -42.331 1.00 30.10 N ATOM 1583 CA SER A 107 32.101 48.680 -43.736 1.00 71.15 C ATOM 1584 C SER A 107 30.740 49.175 -44.210 1.00 42.21 C ATOM 1585 O SER A 107 29.792 48.400 -44.334 1.00 53.14 O ATOM 1586 CB SER A 107 32.548 47.469 -44.557 1.00 62.32 C ATOM 1587 OG SER A 107 33.796 46.976 -44.089 1.00 35.01 O ATOM 0 H SER A 107 31.678 47.405 -42.139 1.00 30.10 H new ATOM 0 HA SER A 107 32.825 49.483 -43.876 1.00 71.15 H new ATOM 0 HB2 SER A 107 31.795 46.683 -44.495 1.00 62.32 H new ATOM 0 HB3 SER A 107 32.632 47.747 -45.608 1.00 62.32 H new ATOM 0 HG SER A 107 34.064 46.201 -44.626 1.00 35.01 H new ATOM 1593 N THR A 108 30.641 50.472 -44.435 1.00 61.34 N ATOM 1594 CA THR A 108 29.417 51.064 -44.934 1.00 45.01 C ATOM 1595 C THR A 108 29.434 51.122 -46.460 1.00 51.14 C ATOM 1596 O THR A 108 30.383 51.625 -47.060 1.00 24.12 O ATOM 1597 CB THR A 108 29.216 52.479 -44.360 1.00 51.54 C ATOM 1598 OG1 THR A 108 29.138 52.419 -42.928 1.00 42.23 O ATOM 1599 CG2 THR A 108 27.953 53.113 -44.910 1.00 12.31 C ATOM 0 H THR A 108 31.398 51.137 -44.279 1.00 61.34 H new ATOM 0 HA THR A 108 28.586 50.437 -44.611 1.00 45.01 H new ATOM 0 HB THR A 108 30.069 53.090 -44.656 1.00 51.54 H new ATOM 0 HG1 THR A 108 28.277 52.782 -42.632 1.00 42.23 H new ATOM 0 HG21 THR A 108 27.834 54.111 -44.489 1.00 12.31 H new ATOM 0 HG22 THR A 108 28.024 53.183 -45.995 1.00 12.31 H new ATOM 0 HG23 THR A 108 27.092 52.501 -44.641 1.00 12.31 H new ATOM 1607 N ILE A 109 28.398 50.572 -47.078 1.00 13.34 N ATOM 1608 CA ILE A 109 28.265 50.600 -48.528 1.00 55.11 C ATOM 1609 C ILE A 109 27.044 51.424 -48.923 1.00 14.15 C ATOM 1610 O ILE A 109 25.904 51.034 -48.660 1.00 1.14 O ATOM 1611 CB ILE A 109 28.145 49.181 -49.150 1.00 61.20 C ATOM 1612 CG1 ILE A 109 29.399 48.333 -48.875 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.905 49.277 -50.650 1.00 4.42 C ATOM 1614 CD1 ILE A 109 29.438 47.718 -47.495 1.00 12.41 C ATOM 0 H ILE A 109 27.634 50.099 -46.595 1.00 13.34 H new ATOM 0 HA ILE A 109 29.176 51.054 -48.918 1.00 55.11 H new ATOM 0 HB ILE A 109 27.294 48.689 -48.679 1.00 61.20 H new ATOM 0 HG12 ILE A 109 29.456 47.537 -49.617 1.00 73.01 H new ATOM 0 HG13 ILE A 109 30.283 48.957 -49.008 1.00 73.01 H new ATOM 0 HG21 ILE A 109 27.823 48.275 -51.070 1.00 4.42 H new ATOM 0 HG22 ILE A 109 26.981 49.825 -50.836 1.00 4.42 H new ATOM 0 HG23 ILE A 109 28.738 49.800 -51.119 1.00 4.42 H new ATOM 0 HD11 ILE A 109 30.353 47.137 -47.381 1.00 12.41 H new ATOM 0 HD12 ILE A 109 29.414 48.508 -46.744 1.00 12.41 H new ATOM 0 HD13 ILE A 109 28.575 47.066 -47.363 1.00 12.41 H new ATOM 1626 N GLN A 110 27.286 52.575 -49.525 1.00 42.43 N ATOM 1627 CA GLN A 110 26.208 53.428 -49.996 1.00 3.53 C ATOM 1628 C GLN A 110 25.840 53.069 -51.433 1.00 10.22 C ATOM 1629 O GLN A 110 26.575 53.386 -52.366 1.00 61.10 O ATOM 1630 CB GLN A 110 26.620 54.899 -49.911 1.00 51.25 C ATOM 1631 CG GLN A 110 26.935 55.354 -48.496 1.00 2.41 C ATOM 1632 CD GLN A 110 27.417 56.789 -48.430 1.00 4.14 C ATOM 1633 OE1 GLN A 110 26.623 57.721 -48.288 1.00 23.33 O ATOM 1634 NE2 GLN A 110 28.723 56.975 -48.514 1.00 32.10 N ATOM 0 H GLN A 110 28.222 52.942 -49.700 1.00 42.43 H new ATOM 0 HA GLN A 110 25.337 53.270 -49.360 1.00 3.53 H new ATOM 0 HB2 GLN A 110 27.495 55.061 -50.541 1.00 51.25 H new ATOM 0 HB3 GLN A 110 25.818 55.518 -50.314 1.00 51.25 H new ATOM 0 HG2 GLN A 110 26.043 55.247 -47.879 1.00 2.41 H new ATOM 0 HG3 GLN A 110 27.697 54.701 -48.071 1.00 2.41 H new ATOM 0 HE21 GLN A 110 29.345 56.176 -48.631 1.00 32.10 H new ATOM 0 HE22 GLN A 110 29.108 57.918 -48.461 1.00 32.10 H new ATOM 1643 N VAL A 111 24.723 52.379 -51.610 1.00 22.34 N ATOM 1644 CA VAL A 111 24.258 52.026 -52.945 1.00 74.24 C ATOM 1645 C VAL A 111 23.433 53.178 -53.509 1.00 21.00 C ATOM 1646 O VAL A 111 22.224 53.261 -53.292 1.00 75.11 O ATOM 1647 CB VAL A 111 23.414 50.729 -52.939 1.00 73.33 C ATOM 1648 CG1 VAL A 111 23.082 50.289 -54.362 1.00 13.23 C ATOM 1649 CG2 VAL A 111 24.143 49.622 -52.194 1.00 44.35 C ATOM 0 H VAL A 111 24.124 52.053 -50.851 1.00 22.34 H new ATOM 0 HA VAL A 111 25.131 51.844 -53.571 1.00 74.24 H new ATOM 0 HB VAL A 111 22.477 50.936 -52.421 1.00 73.33 H new ATOM 0 HG11 VAL A 111 22.488 49.375 -54.331 1.00 13.23 H new ATOM 0 HG12 VAL A 111 22.515 51.074 -54.862 1.00 13.23 H new ATOM 0 HG13 VAL A 111 24.006 50.103 -54.910 1.00 13.23 H new ATOM 0 HG21 VAL A 111 23.535 48.718 -52.200 1.00 44.35 H new ATOM 0 HG22 VAL A 111 25.096 49.421 -52.683 1.00 44.35 H new ATOM 0 HG23 VAL A 111 24.321 49.933 -51.165 1.00 44.35 H new