USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 996 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 784 HIS : no HE2:sc= -0.276 K(o=-11,f=-9.4) USER MOD Set 1.2: A 788 HIS : no HD1:sc= -10.3! C(o=-11!,f=-8.9!) USER MOD Set 1.3: A 852 ASN : amide:sc= -0.335 K(o=-11,f=-9.4) USER MOD Set 2.1: A 833 THR OG1 : rot 180:sc= 0.692 USER MOD Set 2.2: A 867 THR OG1 : rot 67:sc= 0.975 USER MOD Set 3.1: A 811 ASN : amide:sc= -0.104 K(o=0.52,f=-0.27) USER MOD Set 3.2: A 825 GLN : amide:sc= 0.629 K(o=0.52,f=-3.3!) USER MOD Single : A 752 SER OG : rot 180:sc=-0.00317 USER MOD Single : A 753 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 754 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 755 GLN : amide:sc= 0.6 K(o=0.6,f=-2.6!) USER MOD Single : A 758 THR OG1 : rot 180:sc= 0 USER MOD Single : A 762 GLN : amide:sc= 0.00195 K(o=0.0019,f=-2!) USER MOD Single : A 772 THR OG1 : rot 88:sc= 1.21 USER MOD Single : A 775 THR OG1 : rot 180:sc= 0.0714 USER MOD Single : A 776 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 779 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 783 GLN : amide:sc= 0.837 K(o=0.84,f=0) USER MOD Single : A 786 LYS NZ :NH3+ -176:sc= 1.19 (180deg=1.12) USER MOD Single : A 790 THR OG1 : rot -72:sc= 1.27 USER MOD Single : A 798 TYR OH : rot -35:sc= -1.28! USER MOD Single : A 800 GLN : amide:sc= -0.267 K(o=-0.27,f=-2.5!) USER MOD Single : A 802 THR OG1 : rot -92:sc= 1.17 USER MOD Single : A 804 THR OG1 : rot 68:sc= 0.938 USER MOD Single : A 807 THR OG1 : rot 97:sc= 1.24 USER MOD Single : A 809 THR OG1 : rot 180:sc= -0.0119 USER MOD Single : A 814 SER OG : rot 70:sc= 1.13 USER MOD Single : A 815 SER OG : rot -75:sc= -2.97! USER MOD Single : A 816 MET CE :methyl 153:sc= -0.0553 (180deg=-0.351) USER MOD Single : A 822 MET CE :methyl 175:sc= -1.24 (180deg=-1.34) USER MOD Single : A 831 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 834 SER OG : rot 99:sc= 1.26 USER MOD Single : A 838 ASN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 848 SER OG : rot 176:sc= -0.495 USER MOD Single : A 853 SER OG : rot 170:sc= -0.145 USER MOD Single : A 855 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 858 SER OG : rot 180:sc= -0.239 USER MOD Single : A 861 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 870 MET CE :methyl -114:sc= -3.63! (180deg=-4.49!) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 880 HIS : no HD1:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 883 SER OG : rot -161:sc= 1.38 USER MOD Single : A 886 GLN : amide:sc= -0.0181 X(o=-0.018,f=-0.018) USER MOD Single : A 887 GLN : amide:sc= 0.725 K(o=0.72,f=0.045) USER MOD Single : A 888 GLN : amide:sc= 0.565 K(o=0.57,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 751 -29.784 -0.241 8.788 1.00 0.00 N ATOM 2 CA GLY A 751 -28.563 -0.375 9.619 1.00 0.00 C ATOM 3 C GLY A 751 -27.847 0.945 9.791 1.00 0.00 C ATOM 4 O GLY A 751 -28.485 1.998 9.830 1.00 0.00 O ATOM 0 HA2 GLY A 751 -28.833 -0.771 10.598 1.00 0.00 H new ATOM 0 HA3 GLY A 751 -27.888 -1.096 9.158 1.00 0.00 H new ATOM 10 N SER A 752 -26.520 0.884 9.886 1.00 0.00 N ATOM 11 CA SER A 752 -25.679 2.070 10.067 1.00 0.00 C ATOM 12 C SER A 752 -26.091 2.863 11.306 1.00 0.00 C ATOM 13 O SER A 752 -25.956 4.087 11.348 1.00 0.00 O ATOM 14 CB SER A 752 -25.730 2.968 8.824 1.00 0.00 C ATOM 15 OG SER A 752 -26.063 2.226 7.658 1.00 0.00 O ATOM 0 H SER A 752 -25.995 0.011 9.840 1.00 0.00 H new ATOM 0 HA SER A 752 -24.655 1.726 10.210 1.00 0.00 H new ATOM 0 HB2 SER A 752 -26.465 3.759 8.975 1.00 0.00 H new ATOM 0 HB3 SER A 752 -24.764 3.453 8.684 1.00 0.00 H new ATOM 0 HG SER A 752 -26.089 2.827 6.884 1.00 0.00 H new ATOM 21 N HIS A 753 -26.586 2.163 12.319 1.00 0.00 N ATOM 22 CA HIS A 753 -27.043 2.811 13.541 1.00 0.00 C ATOM 23 C HIS A 753 -26.280 2.284 14.747 1.00 0.00 C ATOM 24 O HIS A 753 -26.447 2.770 15.865 1.00 0.00 O ATOM 25 CB HIS A 753 -28.543 2.590 13.734 1.00 0.00 C ATOM 26 CG HIS A 753 -29.268 3.795 14.251 1.00 0.00 C ATOM 27 ND1 HIS A 753 -29.629 4.856 13.452 1.00 0.00 N ATOM 28 CD2 HIS A 753 -29.704 4.099 15.496 1.00 0.00 C ATOM 29 CE1 HIS A 753 -30.255 5.760 14.179 1.00 0.00 C ATOM 30 NE2 HIS A 753 -30.315 5.326 15.424 1.00 0.00 N ATOM 0 H HIS A 753 -26.681 1.147 12.318 1.00 0.00 H new ATOM 0 HA HIS A 753 -26.853 3.880 13.449 1.00 0.00 H new ATOM 0 HB2 HIS A 753 -28.983 2.293 12.782 1.00 0.00 H new ATOM 0 HB3 HIS A 753 -28.693 1.762 14.427 1.00 0.00 H new ATOM 0 HD2 HIS A 753 -29.592 3.490 16.381 1.00 0.00 H new ATOM 0 HE1 HIS A 753 -30.652 6.697 13.817 1.00 0.00 H new ATOM 0 HE2 HIS A 753 -30.745 5.821 16.205 1.00 0.00 H new ATOM 39 N MET A 754 -25.453 1.280 14.514 1.00 0.00 N ATOM 40 CA MET A 754 -24.633 0.704 15.564 1.00 0.00 C ATOM 41 C MET A 754 -23.181 0.645 15.121 1.00 0.00 C ATOM 42 O MET A 754 -22.894 0.421 13.942 1.00 0.00 O ATOM 43 CB MET A 754 -25.129 -0.700 15.913 1.00 0.00 C ATOM 44 CG MET A 754 -25.286 -0.935 17.404 1.00 0.00 C ATOM 45 SD MET A 754 -23.863 -1.773 18.126 1.00 0.00 S ATOM 46 CE MET A 754 -24.197 -1.543 19.872 1.00 0.00 C ATOM 0 H MET A 754 -25.332 0.844 13.600 1.00 0.00 H new ATOM 0 HA MET A 754 -24.708 1.335 16.450 1.00 0.00 H new ATOM 0 HB2 MET A 754 -26.088 -0.870 15.424 1.00 0.00 H new ATOM 0 HB3 MET A 754 -24.431 -1.434 15.509 1.00 0.00 H new ATOM 0 HG2 MET A 754 -25.433 0.022 17.906 1.00 0.00 H new ATOM 0 HG3 MET A 754 -26.182 -1.529 17.582 1.00 0.00 H new ATOM 0 HE1 MET A 754 -23.404 -2.007 20.458 1.00 0.00 H new ATOM 0 HE2 MET A 754 -24.239 -0.477 20.097 1.00 0.00 H new ATOM 0 HE3 MET A 754 -25.152 -2.005 20.124 1.00 0.00 H new ATOM 56 N GLN A 755 -22.266 0.860 16.056 1.00 0.00 N ATOM 57 CA GLN A 755 -20.840 0.792 15.749 1.00 0.00 C ATOM 58 C GLN A 755 -20.361 -0.654 15.779 1.00 0.00 C ATOM 59 O GLN A 755 -19.298 -0.976 15.241 1.00 0.00 O ATOM 60 CB GLN A 755 -20.019 1.643 16.729 1.00 0.00 C ATOM 61 CG GLN A 755 -20.646 1.793 18.107 1.00 0.00 C ATOM 62 CD GLN A 755 -20.095 0.801 19.113 1.00 0.00 C ATOM 63 OE1 GLN A 755 -20.668 -0.267 19.328 1.00 0.00 O ATOM 64 NE2 GLN A 755 -18.981 1.147 19.737 1.00 0.00 N ATOM 0 H GLN A 755 -22.481 1.082 17.028 1.00 0.00 H new ATOM 0 HA GLN A 755 -20.693 1.194 14.747 1.00 0.00 H new ATOM 0 HB2 GLN A 755 -19.031 1.197 16.839 1.00 0.00 H new ATOM 0 HB3 GLN A 755 -19.875 2.634 16.299 1.00 0.00 H new ATOM 0 HG2 GLN A 755 -20.475 2.806 18.471 1.00 0.00 H new ATOM 0 HG3 GLN A 755 -21.725 1.661 18.027 1.00 0.00 H new ATOM 0 HE21 GLN A 755 -18.537 2.042 19.530 1.00 0.00 H new ATOM 0 HE22 GLN A 755 -18.566 0.519 20.425 1.00 0.00 H new ATOM 73 N ALA A 756 -21.164 -1.513 16.412 1.00 0.00 N ATOM 74 CA ALA A 756 -20.859 -2.935 16.530 1.00 0.00 C ATOM 75 C ALA A 756 -19.474 -3.137 17.130 1.00 0.00 C ATOM 76 O ALA A 756 -18.628 -3.827 16.555 1.00 0.00 O ATOM 77 CB ALA A 756 -20.975 -3.621 15.176 1.00 0.00 C ATOM 0 H ALA A 756 -22.041 -1.240 16.855 1.00 0.00 H new ATOM 0 HA ALA A 756 -21.586 -3.391 17.202 1.00 0.00 H new ATOM 0 HB1 ALA A 756 -20.744 -4.681 15.284 1.00 0.00 H new ATOM 0 HB2 ALA A 756 -21.991 -3.508 14.797 1.00 0.00 H new ATOM 0 HB3 ALA A 756 -20.274 -3.166 14.476 1.00 0.00 H new ATOM 83 N ALA A 757 -19.260 -2.522 18.291 1.00 0.00 N ATOM 84 CA ALA A 757 -17.960 -2.509 18.948 1.00 0.00 C ATOM 85 C ALA A 757 -16.928 -1.822 18.059 1.00 0.00 C ATOM 86 O ALA A 757 -16.907 -0.595 17.951 1.00 0.00 O ATOM 87 CB ALA A 757 -17.519 -3.923 19.322 1.00 0.00 C ATOM 0 H ALA A 757 -19.986 -2.019 18.801 1.00 0.00 H new ATOM 0 HA ALA A 757 -18.045 -1.941 19.874 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -16.546 -3.883 19.811 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -18.248 -4.364 20.001 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -17.448 -4.532 18.421 1.00 0.00 H new ATOM 93 N THR A 758 -16.090 -2.607 17.405 1.00 0.00 N ATOM 94 CA THR A 758 -15.082 -2.064 16.514 1.00 0.00 C ATOM 95 C THR A 758 -15.241 -2.633 15.107 1.00 0.00 C ATOM 96 O THR A 758 -14.271 -2.758 14.359 1.00 0.00 O ATOM 97 CB THR A 758 -13.668 -2.363 17.039 1.00 0.00 C ATOM 98 OG1 THR A 758 -13.749 -3.039 18.305 1.00 0.00 O ATOM 99 CG2 THR A 758 -12.865 -1.080 17.194 1.00 0.00 C ATOM 0 H THR A 758 -16.088 -3.625 17.475 1.00 0.00 H new ATOM 0 HA THR A 758 -15.220 -0.984 16.475 1.00 0.00 H new ATOM 0 HB THR A 758 -13.163 -3.003 16.316 1.00 0.00 H new ATOM 0 HG1 THR A 758 -12.845 -3.228 18.633 1.00 0.00 H new ATOM 0 HG21 THR A 758 -11.869 -1.317 17.567 1.00 0.00 H new ATOM 0 HG22 THR A 758 -12.782 -0.584 16.227 1.00 0.00 H new ATOM 0 HG23 THR A 758 -13.368 -0.419 17.899 1.00 0.00 H new ATOM 107 N GLU A 759 -16.474 -2.989 14.755 1.00 0.00 N ATOM 108 CA GLU A 759 -16.764 -3.523 13.431 1.00 0.00 C ATOM 109 C GLU A 759 -16.953 -2.396 12.426 1.00 0.00 C ATOM 110 O GLU A 759 -16.731 -2.585 11.228 1.00 0.00 O ATOM 111 CB GLU A 759 -18.010 -4.407 13.469 1.00 0.00 C ATOM 112 CG GLU A 759 -17.699 -5.894 13.503 1.00 0.00 C ATOM 113 CD GLU A 759 -16.922 -6.346 12.286 1.00 0.00 C ATOM 114 OE1 GLU A 759 -17.552 -6.705 11.271 1.00 0.00 O ATOM 115 OE2 GLU A 759 -15.675 -6.344 12.331 1.00 0.00 O ATOM 0 H GLU A 759 -17.286 -2.917 15.368 1.00 0.00 H new ATOM 0 HA GLU A 759 -15.914 -4.130 13.117 1.00 0.00 H new ATOM 0 HB2 GLU A 759 -18.603 -4.148 14.346 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -18.624 -4.193 12.595 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -17.127 -6.123 14.402 1.00 0.00 H new ATOM 0 HG3 GLU A 759 -18.631 -6.456 13.566 1.00 0.00 H new ATOM 122 N ASP A 760 -17.387 -1.238 12.923 1.00 0.00 N ATOM 123 CA ASP A 760 -17.532 -0.033 12.103 1.00 0.00 C ATOM 124 C ASP A 760 -18.606 -0.220 11.033 1.00 0.00 C ATOM 125 O ASP A 760 -19.432 -1.130 11.121 1.00 0.00 O ATOM 126 CB ASP A 760 -16.193 0.334 11.448 1.00 0.00 C ATOM 127 CG ASP A 760 -16.018 1.826 11.287 1.00 0.00 C ATOM 128 OD1 ASP A 760 -16.444 2.369 10.245 1.00 0.00 O ATOM 129 OD2 ASP A 760 -15.454 2.460 12.200 1.00 0.00 O ATOM 0 H ASP A 760 -17.647 -1.108 13.901 1.00 0.00 H new ATOM 0 HA ASP A 760 -17.841 0.782 12.758 1.00 0.00 H new ATOM 0 HB2 ASP A 760 -15.376 -0.061 12.052 1.00 0.00 H new ATOM 0 HB3 ASP A 760 -16.127 -0.144 10.471 1.00 0.00 H new ATOM 134 N GLY A 761 -18.596 0.651 10.033 1.00 0.00 N ATOM 135 CA GLY A 761 -19.520 0.526 8.928 1.00 0.00 C ATOM 136 C GLY A 761 -19.073 -0.542 7.954 1.00 0.00 C ATOM 137 O GLY A 761 -19.524 -1.684 8.026 1.00 0.00 O ATOM 0 H GLY A 761 -17.960 1.446 9.969 1.00 0.00 H new ATOM 0 HA2 GLY A 761 -20.513 0.283 9.307 1.00 0.00 H new ATOM 0 HA3 GLY A 761 -19.602 1.482 8.410 1.00 0.00 H new ATOM 141 N GLN A 762 -18.165 -0.173 7.061 1.00 0.00 N ATOM 142 CA GLN A 762 -17.608 -1.112 6.092 1.00 0.00 C ATOM 143 C GLN A 762 -16.386 -0.502 5.413 1.00 0.00 C ATOM 144 O GLN A 762 -15.400 -1.191 5.146 1.00 0.00 O ATOM 145 CB GLN A 762 -18.665 -1.528 5.048 1.00 0.00 C ATOM 146 CG GLN A 762 -18.878 -0.527 3.916 1.00 0.00 C ATOM 147 CD GLN A 762 -19.877 0.556 4.274 1.00 0.00 C ATOM 148 OE1 GLN A 762 -19.498 1.642 4.717 1.00 0.00 O ATOM 149 NE2 GLN A 762 -21.153 0.273 4.081 1.00 0.00 N ATOM 0 H GLN A 762 -17.796 0.775 6.986 1.00 0.00 H new ATOM 0 HA GLN A 762 -17.299 -2.011 6.625 1.00 0.00 H new ATOM 0 HB2 GLN A 762 -18.372 -2.485 4.617 1.00 0.00 H new ATOM 0 HB3 GLN A 762 -19.616 -1.686 5.558 1.00 0.00 H new ATOM 0 HG2 GLN A 762 -17.924 -0.066 3.660 1.00 0.00 H new ATOM 0 HG3 GLN A 762 -19.224 -1.056 3.028 1.00 0.00 H new ATOM 0 HE21 GLN A 762 -21.423 -0.639 3.712 1.00 0.00 H new ATOM 0 HE22 GLN A 762 -21.868 0.966 4.301 1.00 0.00 H new ATOM 158 N LEU A 763 -16.449 0.803 5.170 1.00 0.00 N ATOM 159 CA LEU A 763 -15.373 1.520 4.507 1.00 0.00 C ATOM 160 C LEU A 763 -14.090 1.456 5.330 1.00 0.00 C ATOM 161 O LEU A 763 -13.044 1.031 4.838 1.00 0.00 O ATOM 162 CB LEU A 763 -15.782 2.978 4.279 1.00 0.00 C ATOM 163 CG LEU A 763 -15.980 3.382 2.815 1.00 0.00 C ATOM 164 CD1 LEU A 763 -14.766 3.003 1.985 1.00 0.00 C ATOM 165 CD2 LEU A 763 -17.234 2.739 2.244 1.00 0.00 C ATOM 0 H LEU A 763 -17.244 1.388 5.427 1.00 0.00 H new ATOM 0 HA LEU A 763 -15.184 1.046 3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 763 -16.710 3.166 4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 763 -15.021 3.624 4.717 1.00 0.00 H new ATOM 0 HG LEU A 763 -16.100 4.465 2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 763 -14.927 3.299 0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 763 -13.885 3.513 2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 763 -14.613 1.925 2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 763 -17.355 3.039 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 763 -17.145 1.654 2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 763 -18.102 3.062 2.818 1.00 0.00 H new ATOM 177 N LEU A 764 -14.180 1.852 6.592 1.00 0.00 N ATOM 178 CA LEU A 764 -13.015 1.871 7.465 1.00 0.00 C ATOM 179 C LEU A 764 -12.643 0.460 7.908 1.00 0.00 C ATOM 180 O LEU A 764 -11.518 0.207 8.339 1.00 0.00 O ATOM 181 CB LEU A 764 -13.273 2.754 8.686 1.00 0.00 C ATOM 182 CG LEU A 764 -12.292 3.912 8.861 1.00 0.00 C ATOM 183 CD1 LEU A 764 -13.027 5.180 9.261 1.00 0.00 C ATOM 184 CD2 LEU A 764 -11.230 3.560 9.892 1.00 0.00 C ATOM 0 H LEU A 764 -15.045 2.164 7.033 1.00 0.00 H new ATOM 0 HA LEU A 764 -12.180 2.287 6.901 1.00 0.00 H new ATOM 0 HB2 LEU A 764 -14.282 3.159 8.616 1.00 0.00 H new ATOM 0 HB3 LEU A 764 -13.241 2.131 9.580 1.00 0.00 H new ATOM 0 HG LEU A 764 -11.798 4.091 7.906 1.00 0.00 H new ATOM 0 HD11 LEU A 764 -12.311 5.993 9.381 1.00 0.00 H new ATOM 0 HD12 LEU A 764 -13.748 5.442 8.487 1.00 0.00 H new ATOM 0 HD13 LEU A 764 -13.550 5.016 10.203 1.00 0.00 H new ATOM 0 HD21 LEU A 764 -10.540 4.396 10.004 1.00 0.00 H new ATOM 0 HD22 LEU A 764 -11.707 3.353 10.850 1.00 0.00 H new ATOM 0 HD23 LEU A 764 -10.681 2.678 9.562 1.00 0.00 H new ATOM 196 N ARG A 765 -13.591 -0.457 7.785 1.00 0.00 N ATOM 197 CA ARG A 765 -13.370 -1.839 8.179 1.00 0.00 C ATOM 198 C ARG A 765 -12.417 -2.528 7.207 1.00 0.00 C ATOM 199 O ARG A 765 -11.419 -3.127 7.614 1.00 0.00 O ATOM 200 CB ARG A 765 -14.698 -2.596 8.236 1.00 0.00 C ATOM 201 CG ARG A 765 -14.649 -3.834 9.115 1.00 0.00 C ATOM 202 CD ARG A 765 -15.698 -4.854 8.710 1.00 0.00 C ATOM 203 NE ARG A 765 -15.550 -6.107 9.444 1.00 0.00 N ATOM 204 CZ ARG A 765 -14.824 -7.142 9.026 1.00 0.00 C ATOM 205 NH1 ARG A 765 -14.225 -7.108 7.841 1.00 0.00 N ATOM 206 NH2 ARG A 765 -14.713 -8.220 9.796 1.00 0.00 N ATOM 0 H ARG A 765 -14.522 -0.268 7.415 1.00 0.00 H new ATOM 0 HA ARG A 765 -12.919 -1.844 9.171 1.00 0.00 H new ATOM 0 HB2 ARG A 765 -15.474 -1.926 8.607 1.00 0.00 H new ATOM 0 HB3 ARG A 765 -14.985 -2.888 7.226 1.00 0.00 H new ATOM 0 HG2 ARG A 765 -13.659 -4.286 9.052 1.00 0.00 H new ATOM 0 HG3 ARG A 765 -14.803 -3.548 10.155 1.00 0.00 H new ATOM 0 HD2 ARG A 765 -16.692 -4.444 8.889 1.00 0.00 H new ATOM 0 HD3 ARG A 765 -15.621 -5.049 7.640 1.00 0.00 H new ATOM 0 HE ARG A 765 -16.035 -6.196 10.337 1.00 0.00 H new ATOM 0 HH11 ARG A 765 -14.320 -6.286 7.245 1.00 0.00 H new ATOM 0 HH12 ARG A 765 -13.670 -7.904 7.527 1.00 0.00 H new ATOM 0 HH21 ARG A 765 -15.182 -8.251 10.701 1.00 0.00 H new ATOM 0 HH22 ARG A 765 -14.158 -9.016 9.482 1.00 0.00 H new ATOM 220 N GLY A 766 -12.723 -2.432 5.920 1.00 0.00 N ATOM 221 CA GLY A 766 -11.895 -3.068 4.916 1.00 0.00 C ATOM 222 C GLY A 766 -10.737 -2.198 4.481 1.00 0.00 C ATOM 223 O GLY A 766 -9.575 -2.576 4.635 1.00 0.00 O ATOM 0 H GLY A 766 -13.529 -1.925 5.554 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -11.510 -4.008 5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -12.507 -3.313 4.048 1.00 0.00 H new ATOM 227 N VAL A 767 -11.054 -1.022 3.953 1.00 0.00 N ATOM 228 CA VAL A 767 -10.041 -0.130 3.403 1.00 0.00 C ATOM 229 C VAL A 767 -9.138 0.420 4.497 1.00 0.00 C ATOM 230 O VAL A 767 -7.932 0.531 4.310 1.00 0.00 O ATOM 231 CB VAL A 767 -10.671 1.049 2.632 1.00 0.00 C ATOM 232 CG1 VAL A 767 -9.651 1.685 1.700 1.00 0.00 C ATOM 233 CG2 VAL A 767 -11.894 0.591 1.855 1.00 0.00 C ATOM 0 H VAL A 767 -12.007 -0.663 3.894 1.00 0.00 H new ATOM 0 HA VAL A 767 -9.449 -0.727 2.709 1.00 0.00 H new ATOM 0 HB VAL A 767 -10.989 1.799 3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 767 -10.114 2.514 1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 767 -8.807 2.055 2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 767 -9.300 0.942 0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 767 -12.323 1.438 1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 767 -11.604 -0.181 1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 767 -12.634 0.187 2.546 1.00 0.00 H new ATOM 243 N GLY A 768 -9.726 0.746 5.642 1.00 0.00 N ATOM 244 CA GLY A 768 -8.959 1.301 6.745 1.00 0.00 C ATOM 245 C GLY A 768 -7.823 0.394 7.176 1.00 0.00 C ATOM 246 O GLY A 768 -6.677 0.833 7.293 1.00 0.00 O ATOM 0 H GLY A 768 -10.723 0.636 5.828 1.00 0.00 H new ATOM 0 HA2 GLY A 768 -8.555 2.270 6.451 1.00 0.00 H new ATOM 0 HA3 GLY A 768 -9.622 1.476 7.593 1.00 0.00 H new ATOM 250 N ALA A 769 -8.137 -0.876 7.391 1.00 0.00 N ATOM 251 CA ALA A 769 -7.137 -1.855 7.797 1.00 0.00 C ATOM 252 C ALA A 769 -6.112 -2.078 6.692 1.00 0.00 C ATOM 253 O ALA A 769 -4.904 -2.105 6.942 1.00 0.00 O ATOM 254 CB ALA A 769 -7.807 -3.169 8.169 1.00 0.00 C ATOM 0 H ALA A 769 -9.079 -1.254 7.291 1.00 0.00 H new ATOM 0 HA ALA A 769 -6.615 -1.466 8.671 1.00 0.00 H new ATOM 0 HB1 ALA A 769 -7.049 -3.892 8.470 1.00 0.00 H new ATOM 0 HB2 ALA A 769 -8.499 -3.004 8.995 1.00 0.00 H new ATOM 0 HB3 ALA A 769 -8.354 -3.555 7.309 1.00 0.00 H new ATOM 260 N ALA A 770 -6.602 -2.219 5.465 1.00 0.00 N ATOM 261 CA ALA A 770 -5.742 -2.466 4.316 1.00 0.00 C ATOM 262 C ALA A 770 -4.784 -1.303 4.077 1.00 0.00 C ATOM 263 O ALA A 770 -3.603 -1.505 3.797 1.00 0.00 O ATOM 264 CB ALA A 770 -6.591 -2.719 3.080 1.00 0.00 C ATOM 0 H ALA A 770 -7.596 -2.166 5.241 1.00 0.00 H new ATOM 0 HA ALA A 770 -5.140 -3.351 4.525 1.00 0.00 H new ATOM 0 HB1 ALA A 770 -5.942 -2.903 2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 770 -7.227 -3.589 3.247 1.00 0.00 H new ATOM 0 HB3 ALA A 770 -7.214 -1.847 2.882 1.00 0.00 H new ATOM 270 N ALA A 771 -5.302 -0.087 4.194 1.00 0.00 N ATOM 271 CA ALA A 771 -4.506 1.114 3.985 1.00 0.00 C ATOM 272 C ALA A 771 -3.413 1.238 5.039 1.00 0.00 C ATOM 273 O ALA A 771 -2.259 1.517 4.713 1.00 0.00 O ATOM 274 CB ALA A 771 -5.395 2.348 3.993 1.00 0.00 C ATOM 0 H ALA A 771 -6.277 0.093 4.434 1.00 0.00 H new ATOM 0 HA ALA A 771 -4.026 1.035 3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 771 -4.785 3.237 3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 771 -6.134 2.269 3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 771 -5.904 2.423 4.954 1.00 0.00 H new ATOM 280 N THR A 772 -3.782 1.004 6.296 1.00 0.00 N ATOM 281 CA THR A 772 -2.840 1.104 7.406 1.00 0.00 C ATOM 282 C THR A 772 -1.675 0.133 7.227 1.00 0.00 C ATOM 283 O THR A 772 -0.540 0.442 7.589 1.00 0.00 O ATOM 284 CB THR A 772 -3.535 0.835 8.756 1.00 0.00 C ATOM 285 OG1 THR A 772 -4.695 1.673 8.883 1.00 0.00 O ATOM 286 CG2 THR A 772 -2.592 1.093 9.924 1.00 0.00 C ATOM 0 H THR A 772 -4.729 0.743 6.571 1.00 0.00 H new ATOM 0 HA THR A 772 -2.453 2.123 7.409 1.00 0.00 H new ATOM 0 HB THR A 772 -3.832 -0.214 8.779 1.00 0.00 H new ATOM 0 HG1 THR A 772 -5.469 1.222 8.487 1.00 0.00 H new ATOM 0 HG21 THR A 772 -3.111 0.895 10.862 1.00 0.00 H new ATOM 0 HG22 THR A 772 -1.725 0.437 9.843 1.00 0.00 H new ATOM 0 HG23 THR A 772 -2.264 2.132 9.904 1.00 0.00 H new ATOM 294 N ALA A 773 -1.958 -1.033 6.651 1.00 0.00 N ATOM 295 CA ALA A 773 -0.923 -2.024 6.384 1.00 0.00 C ATOM 296 C ALA A 773 0.168 -1.438 5.492 1.00 0.00 C ATOM 297 O ALA A 773 1.359 -1.670 5.712 1.00 0.00 O ATOM 298 CB ALA A 773 -1.529 -3.265 5.743 1.00 0.00 C ATOM 0 H ALA A 773 -2.895 -1.313 6.361 1.00 0.00 H new ATOM 0 HA ALA A 773 -0.469 -2.311 7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 773 -0.743 -3.995 5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 773 -2.269 -3.698 6.416 1.00 0.00 H new ATOM 0 HB3 ALA A 773 -2.009 -2.992 4.803 1.00 0.00 H new ATOM 304 N VAL A 774 -0.246 -0.660 4.499 1.00 0.00 N ATOM 305 CA VAL A 774 0.691 -0.001 3.599 1.00 0.00 C ATOM 306 C VAL A 774 1.447 1.100 4.335 1.00 0.00 C ATOM 307 O VAL A 774 2.669 1.202 4.227 1.00 0.00 O ATOM 308 CB VAL A 774 -0.028 0.595 2.367 1.00 0.00 C ATOM 309 CG1 VAL A 774 0.924 1.442 1.531 1.00 0.00 C ATOM 310 CG2 VAL A 774 -0.635 -0.512 1.521 1.00 0.00 C ATOM 0 H VAL A 774 -1.228 -0.470 4.297 1.00 0.00 H new ATOM 0 HA VAL A 774 1.396 -0.755 3.250 1.00 0.00 H new ATOM 0 HB VAL A 774 -0.829 1.242 2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 774 0.391 1.848 0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 774 1.311 2.261 2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 774 1.752 0.824 1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 774 -1.138 -0.076 0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 774 0.153 -1.184 1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 774 -1.357 -1.071 2.117 1.00 0.00 H new ATOM 320 N THR A 775 0.718 1.906 5.100 1.00 0.00 N ATOM 321 CA THR A 775 1.324 2.974 5.887 1.00 0.00 C ATOM 322 C THR A 775 2.379 2.414 6.843 1.00 0.00 C ATOM 323 O THR A 775 3.459 2.985 7.003 1.00 0.00 O ATOM 324 CB THR A 775 0.257 3.732 6.698 1.00 0.00 C ATOM 325 OG1 THR A 775 -1.007 3.647 6.033 1.00 0.00 O ATOM 326 CG2 THR A 775 0.644 5.192 6.881 1.00 0.00 C ATOM 0 H THR A 775 -0.296 1.839 5.192 1.00 0.00 H new ATOM 0 HA THR A 775 1.801 3.664 5.190 1.00 0.00 H new ATOM 0 HB THR A 775 0.185 3.271 7.683 1.00 0.00 H new ATOM 0 HG1 THR A 775 -1.683 4.129 6.553 1.00 0.00 H new ATOM 0 HG21 THR A 775 -0.127 5.703 7.457 1.00 0.00 H new ATOM 0 HG22 THR A 775 1.594 5.253 7.412 1.00 0.00 H new ATOM 0 HG23 THR A 775 0.743 5.667 5.905 1.00 0.00 H new ATOM 334 N GLN A 776 2.057 1.286 7.463 1.00 0.00 N ATOM 335 CA GLN A 776 2.962 0.630 8.398 1.00 0.00 C ATOM 336 C GLN A 776 4.187 0.077 7.678 1.00 0.00 C ATOM 337 O GLN A 776 5.319 0.267 8.125 1.00 0.00 O ATOM 338 CB GLN A 776 2.236 -0.499 9.127 1.00 0.00 C ATOM 339 CG GLN A 776 1.801 -0.128 10.532 1.00 0.00 C ATOM 340 CD GLN A 776 2.830 -0.511 11.575 1.00 0.00 C ATOM 341 OE1 GLN A 776 4.007 -0.166 11.462 1.00 0.00 O ATOM 342 NE2 GLN A 776 2.398 -1.239 12.590 1.00 0.00 N ATOM 0 H GLN A 776 1.168 0.803 7.333 1.00 0.00 H new ATOM 0 HA GLN A 776 3.296 1.372 9.123 1.00 0.00 H new ATOM 0 HB2 GLN A 776 1.359 -0.790 8.548 1.00 0.00 H new ATOM 0 HB3 GLN A 776 2.890 -1.370 9.175 1.00 0.00 H new ATOM 0 HG2 GLN A 776 1.620 0.946 10.582 1.00 0.00 H new ATOM 0 HG3 GLN A 776 0.856 -0.622 10.759 1.00 0.00 H new ATOM 0 HE21 GLN A 776 1.414 -1.503 12.646 1.00 0.00 H new ATOM 0 HE22 GLN A 776 3.048 -1.536 13.318 1.00 0.00 H new ATOM 351 N ALA A 777 3.955 -0.606 6.563 1.00 0.00 N ATOM 352 CA ALA A 777 5.038 -1.190 5.781 1.00 0.00 C ATOM 353 C ALA A 777 5.964 -0.107 5.237 1.00 0.00 C ATOM 354 O ALA A 777 7.186 -0.258 5.245 1.00 0.00 O ATOM 355 CB ALA A 777 4.478 -2.031 4.643 1.00 0.00 C ATOM 0 H ALA A 777 3.024 -0.769 6.179 1.00 0.00 H new ATOM 0 HA ALA A 777 5.621 -1.836 6.438 1.00 0.00 H new ATOM 0 HB1 ALA A 777 5.299 -2.460 4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 777 3.863 -2.833 5.052 1.00 0.00 H new ATOM 0 HB3 ALA A 777 3.869 -1.403 3.992 1.00 0.00 H new ATOM 361 N LEU A 778 5.374 0.989 4.781 1.00 0.00 N ATOM 362 CA LEU A 778 6.139 2.099 4.232 1.00 0.00 C ATOM 363 C LEU A 778 6.978 2.772 5.312 1.00 0.00 C ATOM 364 O LEU A 778 8.147 3.077 5.093 1.00 0.00 O ATOM 365 CB LEU A 778 5.206 3.118 3.583 1.00 0.00 C ATOM 366 CG LEU A 778 5.839 3.948 2.469 1.00 0.00 C ATOM 367 CD1 LEU A 778 5.908 3.143 1.181 1.00 0.00 C ATOM 368 CD2 LEU A 778 5.059 5.233 2.260 1.00 0.00 C ATOM 0 H LEU A 778 4.364 1.133 4.781 1.00 0.00 H new ATOM 0 HA LEU A 778 6.813 1.701 3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 778 4.342 2.592 3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 778 4.836 3.793 4.354 1.00 0.00 H new ATOM 0 HG LEU A 778 6.856 4.209 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 778 6.362 3.749 0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 778 6.510 2.249 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 778 4.902 2.853 0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 778 5.522 5.814 1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 778 4.032 4.994 1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 778 5.062 5.815 3.182 1.00 0.00 H new ATOM 380 N ASN A 779 6.375 2.995 6.478 1.00 0.00 N ATOM 381 CA ASN A 779 7.086 3.594 7.606 1.00 0.00 C ATOM 382 C ASN A 779 8.267 2.719 7.995 1.00 0.00 C ATOM 383 O ASN A 779 9.357 3.211 8.294 1.00 0.00 O ATOM 384 CB ASN A 779 6.151 3.754 8.808 1.00 0.00 C ATOM 385 CG ASN A 779 5.521 5.131 8.883 1.00 0.00 C ATOM 386 OD1 ASN A 779 6.150 6.096 9.316 1.00 0.00 O ATOM 387 ND2 ASN A 779 4.273 5.231 8.458 1.00 0.00 N ATOM 0 H ASN A 779 5.398 2.771 6.666 1.00 0.00 H new ATOM 0 HA ASN A 779 7.444 4.579 7.305 1.00 0.00 H new ATOM 0 HB2 ASN A 779 5.364 3.002 8.753 1.00 0.00 H new ATOM 0 HB3 ASN A 779 6.709 3.565 9.725 1.00 0.00 H new ATOM 0 HD21 ASN A 779 3.797 6.133 8.482 1.00 0.00 H new ATOM 0 HD22 ASN A 779 3.786 4.406 8.106 1.00 0.00 H new ATOM 394 N GLU A 780 8.029 1.414 7.977 1.00 0.00 N ATOM 395 CA GLU A 780 9.059 0.428 8.256 1.00 0.00 C ATOM 396 C GLU A 780 10.194 0.538 7.249 1.00 0.00 C ATOM 397 O GLU A 780 11.353 0.726 7.614 1.00 0.00 O ATOM 398 CB GLU A 780 8.456 -0.974 8.192 1.00 0.00 C ATOM 399 CG GLU A 780 9.388 -2.063 8.687 1.00 0.00 C ATOM 400 CD GLU A 780 9.035 -2.543 10.077 1.00 0.00 C ATOM 401 OE1 GLU A 780 7.996 -2.108 10.620 1.00 0.00 O ATOM 402 OE2 GLU A 780 9.790 -3.370 10.630 1.00 0.00 O ATOM 0 H GLU A 780 7.115 1.011 7.768 1.00 0.00 H new ATOM 0 HA GLU A 780 9.457 0.614 9.254 1.00 0.00 H new ATOM 0 HB2 GLU A 780 7.542 -0.994 8.785 1.00 0.00 H new ATOM 0 HB3 GLU A 780 8.173 -1.191 7.162 1.00 0.00 H new ATOM 0 HG2 GLU A 780 9.355 -2.906 7.996 1.00 0.00 H new ATOM 0 HG3 GLU A 780 10.412 -1.689 8.685 1.00 0.00 H new ATOM 409 N LEU A 781 9.839 0.435 5.977 1.00 0.00 N ATOM 410 CA LEU A 781 10.816 0.446 4.901 1.00 0.00 C ATOM 411 C LEU A 781 11.588 1.757 4.859 1.00 0.00 C ATOM 412 O LEU A 781 12.803 1.755 4.680 1.00 0.00 O ATOM 413 CB LEU A 781 10.127 0.207 3.562 1.00 0.00 C ATOM 414 CG LEU A 781 11.070 0.094 2.368 1.00 0.00 C ATOM 415 CD1 LEU A 781 11.208 -1.357 1.936 1.00 0.00 C ATOM 416 CD2 LEU A 781 10.575 0.957 1.221 1.00 0.00 C ATOM 0 H LEU A 781 8.873 0.342 5.664 1.00 0.00 H new ATOM 0 HA LEU A 781 11.527 -0.358 5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 781 9.539 -0.708 3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 781 9.427 1.023 3.379 1.00 0.00 H new ATOM 0 HG LEU A 781 12.055 0.454 2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 781 11.884 -1.420 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 781 11.609 -1.946 2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 781 10.230 -1.747 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 781 11.258 0.866 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 781 9.580 0.627 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 781 10.531 1.998 1.542 1.00 0.00 H new ATOM 428 N LEU A 782 10.883 2.869 5.032 1.00 0.00 N ATOM 429 CA LEU A 782 11.503 4.188 4.973 1.00 0.00 C ATOM 430 C LEU A 782 12.622 4.317 5.999 1.00 0.00 C ATOM 431 O LEU A 782 13.752 4.660 5.651 1.00 0.00 O ATOM 432 CB LEU A 782 10.460 5.285 5.198 1.00 0.00 C ATOM 433 CG LEU A 782 10.086 6.085 3.948 1.00 0.00 C ATOM 434 CD1 LEU A 782 9.082 7.171 4.296 1.00 0.00 C ATOM 435 CD2 LEU A 782 11.328 6.687 3.307 1.00 0.00 C ATOM 0 H LEU A 782 9.880 2.884 5.215 1.00 0.00 H new ATOM 0 HA LEU A 782 11.933 4.307 3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 782 9.557 4.829 5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 782 10.836 5.974 5.954 1.00 0.00 H new ATOM 0 HG LEU A 782 9.626 5.408 3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 782 8.826 7.731 3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 782 8.182 6.716 4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 782 9.517 7.846 5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 782 11.042 7.252 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 782 11.819 7.352 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 782 12.014 5.889 3.023 1.00 0.00 H new ATOM 447 N GLN A 783 12.312 4.016 7.255 1.00 0.00 N ATOM 448 CA GLN A 783 13.303 4.100 8.322 1.00 0.00 C ATOM 449 C GLN A 783 14.394 3.048 8.123 1.00 0.00 C ATOM 450 O GLN A 783 15.541 3.244 8.520 1.00 0.00 O ATOM 451 CB GLN A 783 12.634 3.933 9.692 1.00 0.00 C ATOM 452 CG GLN A 783 12.487 2.486 10.141 1.00 0.00 C ATOM 453 CD GLN A 783 11.502 2.325 11.278 1.00 0.00 C ATOM 454 OE1 GLN A 783 11.886 2.025 12.407 1.00 0.00 O ATOM 455 NE2 GLN A 783 10.227 2.526 10.987 1.00 0.00 N ATOM 0 H GLN A 783 11.387 3.713 7.559 1.00 0.00 H new ATOM 0 HA GLN A 783 13.767 5.086 8.286 1.00 0.00 H new ATOM 0 HB2 GLN A 783 13.216 4.476 10.437 1.00 0.00 H new ATOM 0 HB3 GLN A 783 11.647 4.394 9.661 1.00 0.00 H new ATOM 0 HG2 GLN A 783 12.163 1.879 9.296 1.00 0.00 H new ATOM 0 HG3 GLN A 783 13.460 2.106 10.452 1.00 0.00 H new ATOM 0 HE21 GLN A 783 9.954 2.773 10.036 1.00 0.00 H new ATOM 0 HE22 GLN A 783 9.517 2.434 11.714 1.00 0.00 H new ATOM 464 N HIS A 784 14.025 1.936 7.495 1.00 0.00 N ATOM 465 CA HIS A 784 14.964 0.862 7.217 1.00 0.00 C ATOM 466 C HIS A 784 15.980 1.298 6.161 1.00 0.00 C ATOM 467 O HIS A 784 17.183 1.181 6.365 1.00 0.00 O ATOM 468 CB HIS A 784 14.205 -0.392 6.757 1.00 0.00 C ATOM 469 CG HIS A 784 15.081 -1.556 6.399 1.00 0.00 C ATOM 470 ND1 HIS A 784 16.200 -1.911 7.116 1.00 0.00 N ATOM 471 CD2 HIS A 784 14.995 -2.445 5.381 1.00 0.00 C ATOM 472 CE1 HIS A 784 16.766 -2.962 6.557 1.00 0.00 C ATOM 473 NE2 HIS A 784 16.055 -3.307 5.500 1.00 0.00 N ATOM 0 H HIS A 784 13.075 1.757 7.168 1.00 0.00 H new ATOM 0 HA HIS A 784 15.508 0.624 8.131 1.00 0.00 H new ATOM 0 HB2 HIS A 784 13.522 -0.698 7.549 1.00 0.00 H new ATOM 0 HB3 HIS A 784 13.594 -0.134 5.892 1.00 0.00 H new ATOM 0 HD1 HIS A 784 16.539 -1.434 7.951 1.00 0.00 H new ATOM 0 HD2 HIS A 784 14.232 -2.470 4.617 1.00 0.00 H new ATOM 0 HE1 HIS A 784 17.660 -3.457 6.905 1.00 0.00 H new ATOM 482 N VAL A 785 15.489 1.813 5.040 1.00 0.00 N ATOM 483 CA VAL A 785 16.357 2.226 3.938 1.00 0.00 C ATOM 484 C VAL A 785 17.154 3.473 4.313 1.00 0.00 C ATOM 485 O VAL A 785 18.240 3.700 3.792 1.00 0.00 O ATOM 486 CB VAL A 785 15.545 2.488 2.645 1.00 0.00 C ATOM 487 CG1 VAL A 785 16.455 2.902 1.496 1.00 0.00 C ATOM 488 CG2 VAL A 785 14.734 1.258 2.256 1.00 0.00 C ATOM 0 H VAL A 785 14.494 1.956 4.868 1.00 0.00 H new ATOM 0 HA VAL A 785 17.050 1.407 3.746 1.00 0.00 H new ATOM 0 HB VAL A 785 14.858 3.309 2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 785 15.856 3.079 0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 785 16.986 3.816 1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 785 17.175 2.108 1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 785 14.172 1.466 1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 785 15.407 0.418 2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 785 14.042 1.009 3.060 1.00 0.00 H new ATOM 498 N LYS A 786 16.636 4.253 5.249 1.00 0.00 N ATOM 499 CA LYS A 786 17.330 5.448 5.725 1.00 0.00 C ATOM 500 C LYS A 786 18.626 5.089 6.458 1.00 0.00 C ATOM 501 O LYS A 786 19.377 5.969 6.883 1.00 0.00 O ATOM 502 CB LYS A 786 16.417 6.255 6.652 1.00 0.00 C ATOM 503 CG LYS A 786 16.117 7.655 6.143 1.00 0.00 C ATOM 504 CD LYS A 786 15.096 7.631 5.018 1.00 0.00 C ATOM 505 CE LYS A 786 14.062 8.733 5.181 1.00 0.00 C ATOM 506 NZ LYS A 786 14.541 10.027 4.632 1.00 0.00 N ATOM 0 H LYS A 786 15.736 4.083 5.697 1.00 0.00 H new ATOM 0 HA LYS A 786 17.588 6.051 4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 786 15.479 5.716 6.783 1.00 0.00 H new ATOM 0 HB3 LYS A 786 16.883 6.327 7.635 1.00 0.00 H new ATOM 0 HG2 LYS A 786 15.743 8.269 6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 786 17.038 8.120 5.791 1.00 0.00 H new ATOM 0 HD2 LYS A 786 15.605 7.747 4.061 1.00 0.00 H new ATOM 0 HD3 LYS A 786 14.597 6.662 4.999 1.00 0.00 H new ATOM 0 HE2 LYS A 786 13.140 8.443 4.676 1.00 0.00 H new ATOM 0 HE3 LYS A 786 13.823 8.853 6.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 786 13.836 10.767 4.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 786 15.443 10.283 5.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 786 14.680 9.938 3.605 1.00 0.00 H new ATOM 520 N ALA A 787 18.886 3.796 6.595 1.00 0.00 N ATOM 521 CA ALA A 787 20.057 3.318 7.308 1.00 0.00 C ATOM 522 C ALA A 787 21.075 2.668 6.373 1.00 0.00 C ATOM 523 O ALA A 787 22.125 2.209 6.826 1.00 0.00 O ATOM 524 CB ALA A 787 19.626 2.320 8.370 1.00 0.00 C ATOM 0 H ALA A 787 18.295 3.056 6.217 1.00 0.00 H new ATOM 0 HA ALA A 787 20.541 4.178 7.770 1.00 0.00 H new ATOM 0 HB1 ALA A 787 20.503 1.959 8.907 1.00 0.00 H new ATOM 0 HB2 ALA A 787 18.946 2.805 9.070 1.00 0.00 H new ATOM 0 HB3 ALA A 787 19.120 1.479 7.895 1.00 0.00 H new ATOM 530 N HIS A 788 20.787 2.634 5.074 1.00 0.00 N ATOM 531 CA HIS A 788 21.638 1.896 4.137 1.00 0.00 C ATOM 532 C HIS A 788 21.404 2.326 2.695 1.00 0.00 C ATOM 533 O HIS A 788 20.402 2.966 2.387 1.00 0.00 O ATOM 534 CB HIS A 788 21.365 0.390 4.256 1.00 0.00 C ATOM 535 CG HIS A 788 19.979 0.006 3.882 1.00 0.00 C ATOM 536 ND1 HIS A 788 19.510 0.036 2.592 1.00 0.00 N ATOM 537 CD2 HIS A 788 18.945 -0.389 4.648 1.00 0.00 C ATOM 538 CE1 HIS A 788 18.250 -0.313 2.584 1.00 0.00 C ATOM 539 NE2 HIS A 788 17.877 -0.582 3.818 1.00 0.00 N ATOM 0 H HIS A 788 19.985 3.100 4.649 1.00 0.00 H new ATOM 0 HA HIS A 788 22.673 2.117 4.398 1.00 0.00 H new ATOM 0 HB2 HIS A 788 22.067 -0.149 3.620 1.00 0.00 H new ATOM 0 HB3 HIS A 788 21.557 0.074 5.282 1.00 0.00 H new ATOM 0 HD2 HIS A 788 18.957 -0.528 5.719 1.00 0.00 H new ATOM 0 HE1 HIS A 788 17.619 -0.371 1.709 1.00 0.00 H new ATOM 0 HE2 HIS A 788 16.946 -0.884 4.106 1.00 0.00 H new ATOM 548 N ALA A 789 22.331 1.930 1.826 1.00 0.00 N ATOM 549 CA ALA A 789 22.198 2.096 0.382 1.00 0.00 C ATOM 550 C ALA A 789 23.481 1.682 -0.308 1.00 0.00 C ATOM 551 O ALA A 789 24.479 2.406 -0.253 1.00 0.00 O ATOM 552 CB ALA A 789 21.872 3.527 -0.008 1.00 0.00 C ATOM 0 H ALA A 789 23.203 1.481 2.107 1.00 0.00 H new ATOM 0 HA ALA A 789 21.371 1.461 0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 789 21.784 3.597 -1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 789 20.930 3.824 0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 789 22.668 4.188 0.335 1.00 0.00 H new ATOM 558 N THR A 790 23.447 0.519 -0.945 1.00 0.00 N ATOM 559 CA THR A 790 24.589 -0.004 -1.684 1.00 0.00 C ATOM 560 C THR A 790 25.886 0.089 -0.874 1.00 0.00 C ATOM 561 O THR A 790 26.912 0.566 -1.366 1.00 0.00 O ATOM 562 CB THR A 790 24.764 0.736 -3.026 1.00 0.00 C ATOM 563 OG1 THR A 790 23.542 1.400 -3.382 1.00 0.00 O ATOM 564 CG2 THR A 790 25.153 -0.233 -4.130 1.00 0.00 C ATOM 0 H THR A 790 22.628 -0.088 -0.964 1.00 0.00 H new ATOM 0 HA THR A 790 24.382 -1.057 -1.878 1.00 0.00 H new ATOM 0 HB THR A 790 25.560 1.471 -2.909 1.00 0.00 H new ATOM 0 HG1 THR A 790 22.876 0.735 -3.654 1.00 0.00 H new ATOM 0 HG21 THR A 790 25.271 0.311 -5.067 1.00 0.00 H new ATOM 0 HG22 THR A 790 26.094 -0.720 -3.872 1.00 0.00 H new ATOM 0 HG23 THR A 790 24.374 -0.987 -4.244 1.00 0.00 H new ATOM 572 N GLY A 791 25.835 -0.369 0.366 1.00 0.00 N ATOM 573 CA GLY A 791 26.974 -0.254 1.248 1.00 0.00 C ATOM 574 C GLY A 791 26.666 0.597 2.462 1.00 0.00 C ATOM 575 O GLY A 791 25.952 0.163 3.366 1.00 0.00 O ATOM 0 H GLY A 791 25.019 -0.821 0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 791 27.285 -1.248 1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 791 27.812 0.181 0.703 1.00 0.00 H new ATOM 579 N ALA A 792 27.185 1.814 2.476 1.00 0.00 N ATOM 580 CA ALA A 792 26.990 2.718 3.600 1.00 0.00 C ATOM 581 C ALA A 792 27.063 4.168 3.139 1.00 0.00 C ATOM 582 O ALA A 792 27.786 4.988 3.714 1.00 0.00 O ATOM 583 CB ALA A 792 28.023 2.444 4.685 1.00 0.00 C ATOM 0 H ALA A 792 27.747 2.201 1.718 1.00 0.00 H new ATOM 0 HA ALA A 792 25.998 2.544 4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 792 27.865 3.128 5.519 1.00 0.00 H new ATOM 0 HB2 ALA A 792 27.921 1.416 5.034 1.00 0.00 H new ATOM 0 HB3 ALA A 792 29.024 2.592 4.280 1.00 0.00 H new ATOM 589 N GLY A 793 26.315 4.479 2.091 1.00 0.00 N ATOM 590 CA GLY A 793 26.312 5.822 1.554 1.00 0.00 C ATOM 591 C GLY A 793 24.976 6.511 1.737 1.00 0.00 C ATOM 592 O GLY A 793 24.043 5.903 2.262 1.00 0.00 O ATOM 0 H GLY A 793 25.708 3.821 1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 793 27.090 6.408 2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 793 26.558 5.787 0.493 1.00 0.00 H new ATOM 596 N PRO A 794 24.888 7.799 1.341 1.00 0.00 N ATOM 597 CA PRO A 794 23.670 8.604 1.351 1.00 0.00 C ATOM 598 C PRO A 794 22.405 7.802 1.088 1.00 0.00 C ATOM 599 O PRO A 794 22.165 7.320 -0.024 1.00 0.00 O ATOM 600 CB PRO A 794 23.910 9.617 0.219 1.00 0.00 C ATOM 601 CG PRO A 794 25.350 9.464 -0.177 1.00 0.00 C ATOM 602 CD PRO A 794 25.997 8.617 0.881 1.00 0.00 C ATOM 0 HA PRO A 794 23.501 9.053 2.330 1.00 0.00 H new ATOM 0 HB2 PRO A 794 23.250 9.421 -0.626 1.00 0.00 H new ATOM 0 HB3 PRO A 794 23.704 10.633 0.555 1.00 0.00 H new ATOM 0 HG2 PRO A 794 25.435 8.993 -1.156 1.00 0.00 H new ATOM 0 HG3 PRO A 794 25.838 10.436 -0.248 1.00 0.00 H new ATOM 0 HD2 PRO A 794 26.809 8.012 0.478 1.00 0.00 H new ATOM 0 HD3 PRO A 794 26.418 9.221 1.685 1.00 0.00 H new ATOM 610 N ALA A 795 21.607 7.673 2.130 1.00 0.00 N ATOM 611 CA ALA A 795 20.351 6.937 2.066 1.00 0.00 C ATOM 612 C ALA A 795 19.259 7.745 1.367 1.00 0.00 C ATOM 613 O ALA A 795 18.193 8.004 1.933 1.00 0.00 O ATOM 614 CB ALA A 795 19.909 6.544 3.464 1.00 0.00 C ATOM 0 H ALA A 795 21.807 8.074 3.046 1.00 0.00 H new ATOM 0 HA ALA A 795 20.518 6.036 1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 795 18.969 5.994 3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 795 20.671 5.914 3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 795 19.769 7.441 4.067 1.00 0.00 H new ATOM 620 N GLY A 796 19.538 8.151 0.139 1.00 0.00 N ATOM 621 CA GLY A 796 18.553 8.827 -0.673 1.00 0.00 C ATOM 622 C GLY A 796 18.104 7.942 -1.811 1.00 0.00 C ATOM 623 O GLY A 796 18.530 8.118 -2.952 1.00 0.00 O ATOM 0 H GLY A 796 20.443 8.021 -0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 796 17.695 9.103 -0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 796 18.973 9.752 -1.068 1.00 0.00 H new ATOM 627 N ARG A 797 17.258 6.977 -1.492 1.00 0.00 N ATOM 628 CA ARG A 797 16.860 5.962 -2.452 1.00 0.00 C ATOM 629 C ARG A 797 15.503 6.281 -3.072 1.00 0.00 C ATOM 630 O ARG A 797 15.424 6.741 -4.210 1.00 0.00 O ATOM 631 CB ARG A 797 16.828 4.590 -1.772 1.00 0.00 C ATOM 632 CG ARG A 797 17.939 3.652 -2.221 1.00 0.00 C ATOM 633 CD ARG A 797 19.240 4.394 -2.479 1.00 0.00 C ATOM 634 NE ARG A 797 19.539 4.497 -3.908 1.00 0.00 N ATOM 635 CZ ARG A 797 20.377 3.686 -4.551 1.00 0.00 C ATOM 636 NH1 ARG A 797 20.963 2.688 -3.904 1.00 0.00 N ATOM 637 NH2 ARG A 797 20.613 3.858 -5.845 1.00 0.00 N ATOM 0 H ARG A 797 16.832 6.875 -0.571 1.00 0.00 H new ATOM 0 HA ARG A 797 17.594 5.948 -3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 797 16.897 4.729 -0.693 1.00 0.00 H new ATOM 0 HB3 ARG A 797 15.866 4.119 -1.972 1.00 0.00 H new ATOM 0 HG2 ARG A 797 18.101 2.890 -1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 797 17.631 3.133 -3.129 1.00 0.00 H new ATOM 0 HD2 ARG A 797 19.179 5.394 -2.049 1.00 0.00 H new ATOM 0 HD3 ARG A 797 20.057 3.879 -1.974 1.00 0.00 H new ATOM 0 HE ARG A 797 19.078 5.233 -4.443 1.00 0.00 H new ATOM 0 HH11 ARG A 797 20.772 2.541 -2.913 1.00 0.00 H new ATOM 0 HH12 ARG A 797 21.605 2.067 -4.397 1.00 0.00 H new ATOM 0 HH21 ARG A 797 20.152 4.614 -6.351 1.00 0.00 H new ATOM 0 HH22 ARG A 797 21.256 3.234 -6.333 1.00 0.00 H new ATOM 651 N TYR A 798 14.438 6.039 -2.323 1.00 0.00 N ATOM 652 CA TYR A 798 13.088 6.207 -2.844 1.00 0.00 C ATOM 653 C TYR A 798 12.261 7.072 -1.906 1.00 0.00 C ATOM 654 O TYR A 798 11.141 6.714 -1.535 1.00 0.00 O ATOM 655 CB TYR A 798 12.408 4.844 -3.046 1.00 0.00 C ATOM 656 CG TYR A 798 13.352 3.666 -2.949 1.00 0.00 C ATOM 657 CD1 TYR A 798 14.237 3.374 -3.981 1.00 0.00 C ATOM 658 CD2 TYR A 798 13.372 2.857 -1.820 1.00 0.00 C ATOM 659 CE1 TYR A 798 15.113 2.312 -3.891 1.00 0.00 C ATOM 660 CE2 TYR A 798 14.243 1.791 -1.723 1.00 0.00 C ATOM 661 CZ TYR A 798 15.111 1.523 -2.761 1.00 0.00 C ATOM 662 OH TYR A 798 15.984 0.465 -2.665 1.00 0.00 O ATOM 0 H TYR A 798 14.481 5.726 -1.353 1.00 0.00 H new ATOM 0 HA TYR A 798 13.157 6.704 -3.811 1.00 0.00 H new ATOM 0 HB2 TYR A 798 11.621 4.728 -2.301 1.00 0.00 H new ATOM 0 HB3 TYR A 798 11.926 4.831 -4.024 1.00 0.00 H new ATOM 0 HD1 TYR A 798 14.239 3.989 -4.869 1.00 0.00 H new ATOM 0 HD2 TYR A 798 12.695 3.066 -1.005 1.00 0.00 H new ATOM 0 HE1 TYR A 798 15.796 2.100 -4.701 1.00 0.00 H new ATOM 0 HE2 TYR A 798 14.245 1.170 -0.839 1.00 0.00 H new ATOM 0 HH TYR A 798 16.107 0.061 -3.549 1.00 0.00 H new ATOM 672 N ASP A 799 12.819 8.213 -1.527 1.00 0.00 N ATOM 673 CA ASP A 799 12.145 9.131 -0.616 1.00 0.00 C ATOM 674 C ASP A 799 10.945 9.766 -1.303 1.00 0.00 C ATOM 675 O ASP A 799 9.888 9.952 -0.699 1.00 0.00 O ATOM 676 CB ASP A 799 13.111 10.217 -0.140 1.00 0.00 C ATOM 677 CG ASP A 799 13.119 10.373 1.367 1.00 0.00 C ATOM 678 OD1 ASP A 799 12.101 10.819 1.930 1.00 0.00 O ATOM 679 OD2 ASP A 799 14.153 10.060 1.997 1.00 0.00 O ATOM 0 H ASP A 799 13.739 8.527 -1.836 1.00 0.00 H new ATOM 0 HA ASP A 799 11.799 8.567 0.250 1.00 0.00 H new ATOM 0 HB2 ASP A 799 14.118 9.977 -0.482 1.00 0.00 H new ATOM 0 HB3 ASP A 799 12.837 11.167 -0.598 1.00 0.00 H new ATOM 684 N GLN A 800 11.115 10.087 -2.577 1.00 0.00 N ATOM 685 CA GLN A 800 10.039 10.659 -3.372 1.00 0.00 C ATOM 686 C GLN A 800 8.973 9.607 -3.665 1.00 0.00 C ATOM 687 O GLN A 800 7.773 9.878 -3.578 1.00 0.00 O ATOM 688 CB GLN A 800 10.596 11.220 -4.680 1.00 0.00 C ATOM 689 CG GLN A 800 9.612 12.094 -5.440 1.00 0.00 C ATOM 690 CD GLN A 800 9.654 11.849 -6.934 1.00 0.00 C ATOM 691 OE1 GLN A 800 10.483 11.084 -7.431 1.00 0.00 O ATOM 692 NE2 GLN A 800 8.763 12.495 -7.662 1.00 0.00 N ATOM 0 H GLN A 800 11.991 9.960 -3.084 1.00 0.00 H new ATOM 0 HA GLN A 800 9.580 11.469 -2.805 1.00 0.00 H new ATOM 0 HB2 GLN A 800 11.492 11.802 -4.463 1.00 0.00 H new ATOM 0 HB3 GLN A 800 10.901 10.392 -5.319 1.00 0.00 H new ATOM 0 HG2 GLN A 800 8.604 11.905 -5.072 1.00 0.00 H new ATOM 0 HG3 GLN A 800 9.833 13.143 -5.240 1.00 0.00 H new ATOM 0 HE21 GLN A 800 8.093 13.120 -7.213 1.00 0.00 H new ATOM 0 HE22 GLN A 800 8.744 12.370 -8.674 1.00 0.00 H new ATOM 701 N ALA A 801 9.419 8.406 -4.009 1.00 0.00 N ATOM 702 CA ALA A 801 8.511 7.304 -4.298 1.00 0.00 C ATOM 703 C ALA A 801 7.637 6.978 -3.089 1.00 0.00 C ATOM 704 O ALA A 801 6.420 6.839 -3.216 1.00 0.00 O ATOM 705 CB ALA A 801 9.290 6.075 -4.737 1.00 0.00 C ATOM 0 H ALA A 801 10.408 8.170 -4.095 1.00 0.00 H new ATOM 0 HA ALA A 801 7.856 7.613 -5.113 1.00 0.00 H new ATOM 0 HB1 ALA A 801 8.597 5.261 -4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 801 9.861 6.308 -5.636 1.00 0.00 H new ATOM 0 HB3 ALA A 801 9.972 5.773 -3.942 1.00 0.00 H new ATOM 711 N THR A 802 8.256 6.883 -1.917 1.00 0.00 N ATOM 712 CA THR A 802 7.521 6.586 -0.695 1.00 0.00 C ATOM 713 C THR A 802 6.539 7.708 -0.378 1.00 0.00 C ATOM 714 O THR A 802 5.401 7.459 0.023 1.00 0.00 O ATOM 715 CB THR A 802 8.469 6.384 0.503 1.00 0.00 C ATOM 716 OG1 THR A 802 9.522 7.351 0.462 1.00 0.00 O ATOM 717 CG2 THR A 802 9.062 4.983 0.494 1.00 0.00 C ATOM 0 H THR A 802 9.260 7.007 -1.789 1.00 0.00 H new ATOM 0 HA THR A 802 6.975 5.658 -0.863 1.00 0.00 H new ATOM 0 HB THR A 802 7.893 6.512 1.419 1.00 0.00 H new ATOM 0 HG1 THR A 802 10.291 6.977 -0.017 1.00 0.00 H new ATOM 0 HG21 THR A 802 9.728 4.864 1.349 1.00 0.00 H new ATOM 0 HG22 THR A 802 8.259 4.248 0.554 1.00 0.00 H new ATOM 0 HG23 THR A 802 9.624 4.832 -0.427 1.00 0.00 H new ATOM 725 N ASP A 803 6.987 8.945 -0.581 1.00 0.00 N ATOM 726 CA ASP A 803 6.137 10.116 -0.396 1.00 0.00 C ATOM 727 C ASP A 803 4.891 10.013 -1.269 1.00 0.00 C ATOM 728 O ASP A 803 3.779 10.305 -0.826 1.00 0.00 O ATOM 729 CB ASP A 803 6.905 11.393 -0.744 1.00 0.00 C ATOM 730 CG ASP A 803 6.032 12.628 -0.677 1.00 0.00 C ATOM 731 OD1 ASP A 803 5.716 13.075 0.444 1.00 0.00 O ATOM 732 OD2 ASP A 803 5.664 13.161 -1.741 1.00 0.00 O ATOM 0 H ASP A 803 7.939 9.162 -0.875 1.00 0.00 H new ATOM 0 HA ASP A 803 5.835 10.156 0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 803 7.744 11.507 -0.058 1.00 0.00 H new ATOM 0 HB3 ASP A 803 7.323 11.301 -1.747 1.00 0.00 H new ATOM 737 N THR A 804 5.093 9.584 -2.508 1.00 0.00 N ATOM 738 CA THR A 804 3.997 9.391 -3.446 1.00 0.00 C ATOM 739 C THR A 804 2.995 8.373 -2.903 1.00 0.00 C ATOM 740 O THR A 804 1.788 8.611 -2.915 1.00 0.00 O ATOM 741 CB THR A 804 4.524 8.921 -4.819 1.00 0.00 C ATOM 742 OG1 THR A 804 5.620 9.754 -5.238 1.00 0.00 O ATOM 743 CG2 THR A 804 3.425 8.959 -5.872 1.00 0.00 C ATOM 0 H THR A 804 6.013 9.362 -2.888 1.00 0.00 H new ATOM 0 HA THR A 804 3.495 10.350 -3.573 1.00 0.00 H new ATOM 0 HB THR A 804 4.866 7.891 -4.713 1.00 0.00 H new ATOM 0 HG1 THR A 804 6.391 9.600 -4.652 1.00 0.00 H new ATOM 0 HG21 THR A 804 3.826 8.623 -6.828 1.00 0.00 H new ATOM 0 HG22 THR A 804 2.609 8.303 -5.570 1.00 0.00 H new ATOM 0 HG23 THR A 804 3.053 9.979 -5.973 1.00 0.00 H new ATOM 751 N ILE A 805 3.509 7.255 -2.401 1.00 0.00 N ATOM 752 CA ILE A 805 2.669 6.208 -1.831 1.00 0.00 C ATOM 753 C ILE A 805 1.883 6.734 -0.634 1.00 0.00 C ATOM 754 O ILE A 805 0.660 6.641 -0.609 1.00 0.00 O ATOM 755 CB ILE A 805 3.508 4.986 -1.403 1.00 0.00 C ATOM 756 CG1 ILE A 805 3.957 4.205 -2.633 1.00 0.00 C ATOM 757 CG2 ILE A 805 2.727 4.081 -0.459 1.00 0.00 C ATOM 758 CD1 ILE A 805 5.384 3.728 -2.543 1.00 0.00 C ATOM 0 H ILE A 805 4.508 7.050 -2.378 1.00 0.00 H new ATOM 0 HA ILE A 805 1.970 5.895 -2.607 1.00 0.00 H new ATOM 0 HB ILE A 805 4.386 5.348 -0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 805 3.301 3.345 -2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 805 3.846 4.834 -3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 805 3.346 3.230 -0.176 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.449 4.640 0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.826 3.725 -0.959 1.00 0.00 H new ATOM 0 HD11 ILE A 805 5.642 3.179 -3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 805 6.048 4.586 -2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 805 5.495 3.074 -1.678 1.00 0.00 H new ATOM 770 N LEU A 806 2.596 7.296 0.340 1.00 0.00 N ATOM 771 CA LEU A 806 1.968 7.834 1.552 1.00 0.00 C ATOM 772 C LEU A 806 0.843 8.797 1.205 1.00 0.00 C ATOM 773 O LEU A 806 -0.261 8.685 1.731 1.00 0.00 O ATOM 774 CB LEU A 806 2.994 8.564 2.419 1.00 0.00 C ATOM 775 CG LEU A 806 3.334 7.887 3.749 1.00 0.00 C ATOM 776 CD1 LEU A 806 4.028 8.869 4.680 1.00 0.00 C ATOM 777 CD2 LEU A 806 2.080 7.330 4.405 1.00 0.00 C ATOM 0 H LEU A 806 3.611 7.392 0.316 1.00 0.00 H new ATOM 0 HA LEU A 806 1.559 6.989 2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 806 3.913 8.679 1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 806 2.620 9.567 2.627 1.00 0.00 H new ATOM 0 HG LEU A 806 4.012 7.058 3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 806 4.264 8.373 5.622 1.00 0.00 H new ATOM 0 HD12 LEU A 806 4.949 9.222 4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 806 3.370 9.717 4.871 1.00 0.00 H new ATOM 0 HD21 LEU A 806 2.344 6.853 5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.377 8.141 4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 806 1.619 6.596 3.744 1.00 0.00 H new ATOM 789 N THR A 807 1.130 9.737 0.315 1.00 0.00 N ATOM 790 CA THR A 807 0.139 10.715 -0.107 1.00 0.00 C ATOM 791 C THR A 807 -1.048 10.030 -0.782 1.00 0.00 C ATOM 792 O THR A 807 -2.190 10.447 -0.616 1.00 0.00 O ATOM 793 CB THR A 807 0.755 11.755 -1.062 1.00 0.00 C ATOM 794 OG1 THR A 807 2.005 12.219 -0.530 1.00 0.00 O ATOM 795 CG2 THR A 807 -0.184 12.935 -1.260 1.00 0.00 C ATOM 0 H THR A 807 2.042 9.842 -0.129 1.00 0.00 H new ATOM 0 HA THR A 807 -0.213 11.231 0.786 1.00 0.00 H new ATOM 0 HB THR A 807 0.920 11.279 -2.029 1.00 0.00 H new ATOM 0 HG1 THR A 807 2.742 11.725 -0.947 1.00 0.00 H new ATOM 0 HG21 THR A 807 0.274 13.655 -1.938 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.125 12.584 -1.685 1.00 0.00 H new ATOM 0 HG23 THR A 807 -0.376 13.413 -0.299 1.00 0.00 H new ATOM 803 N VAL A 808 -0.772 8.965 -1.522 1.00 0.00 N ATOM 804 CA VAL A 808 -1.818 8.190 -2.174 1.00 0.00 C ATOM 805 C VAL A 808 -2.708 7.503 -1.132 1.00 0.00 C ATOM 806 O VAL A 808 -3.936 7.571 -1.210 1.00 0.00 O ATOM 807 CB VAL A 808 -1.211 7.134 -3.133 1.00 0.00 C ATOM 808 CG1 VAL A 808 -2.103 5.907 -3.257 1.00 0.00 C ATOM 809 CG2 VAL A 808 -0.954 7.744 -4.501 1.00 0.00 C ATOM 0 H VAL A 808 0.173 8.617 -1.686 1.00 0.00 H new ATOM 0 HA VAL A 808 -2.428 8.878 -2.760 1.00 0.00 H new ATOM 0 HB VAL A 808 -0.262 6.809 -2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -1.643 5.190 -3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -2.228 5.448 -2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -3.077 6.203 -3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -0.528 6.989 -5.162 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -1.893 8.105 -4.921 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -0.257 8.576 -4.403 1.00 0.00 H new ATOM 819 N THR A 809 -2.089 6.858 -0.148 1.00 0.00 N ATOM 820 CA THR A 809 -2.837 6.182 0.903 1.00 0.00 C ATOM 821 C THR A 809 -3.596 7.198 1.754 1.00 0.00 C ATOM 822 O THR A 809 -4.754 6.984 2.117 1.00 0.00 O ATOM 823 CB THR A 809 -1.910 5.338 1.800 1.00 0.00 C ATOM 824 OG1 THR A 809 -0.697 5.039 1.102 1.00 0.00 O ATOM 825 CG2 THR A 809 -2.589 4.042 2.210 1.00 0.00 C ATOM 0 H THR A 809 -1.075 6.790 -0.058 1.00 0.00 H new ATOM 0 HA THR A 809 -3.549 5.511 0.422 1.00 0.00 H new ATOM 0 HB THR A 809 -1.685 5.915 2.697 1.00 0.00 H new ATOM 0 HG1 THR A 809 -0.112 4.504 1.678 1.00 0.00 H new ATOM 0 HG21 THR A 809 -1.916 3.463 2.842 1.00 0.00 H new ATOM 0 HG22 THR A 809 -3.501 4.268 2.762 1.00 0.00 H new ATOM 0 HG23 THR A 809 -2.838 3.464 1.320 1.00 0.00 H new ATOM 833 N GLU A 810 -2.939 8.314 2.043 1.00 0.00 N ATOM 834 CA GLU A 810 -3.559 9.415 2.766 1.00 0.00 C ATOM 835 C GLU A 810 -4.732 9.977 1.958 1.00 0.00 C ATOM 836 O GLU A 810 -5.764 10.365 2.515 1.00 0.00 O ATOM 837 CB GLU A 810 -2.510 10.498 3.052 1.00 0.00 C ATOM 838 CG GLU A 810 -3.092 11.859 3.394 1.00 0.00 C ATOM 839 CD GLU A 810 -2.789 12.277 4.817 1.00 0.00 C ATOM 840 OE1 GLU A 810 -1.669 12.003 5.296 1.00 0.00 O ATOM 841 OE2 GLU A 810 -3.667 12.887 5.466 1.00 0.00 O ATOM 0 H GLU A 810 -1.967 8.480 1.784 1.00 0.00 H new ATOM 0 HA GLU A 810 -3.949 9.055 3.718 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -1.880 10.168 3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -1.864 10.601 2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -2.693 12.605 2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -4.172 11.836 3.247 1.00 0.00 H new ATOM 848 N ASN A 811 -4.573 9.992 0.639 1.00 0.00 N ATOM 849 CA ASN A 811 -5.640 10.399 -0.269 1.00 0.00 C ATOM 850 C ASN A 811 -6.843 9.483 -0.110 1.00 0.00 C ATOM 851 O ASN A 811 -7.975 9.946 -0.024 1.00 0.00 O ATOM 852 CB ASN A 811 -5.163 10.351 -1.721 1.00 0.00 C ATOM 853 CG ASN A 811 -4.736 11.702 -2.253 1.00 0.00 C ATOM 854 OD1 ASN A 811 -5.339 12.728 -1.940 1.00 0.00 O ATOM 855 ND2 ASN A 811 -3.696 11.706 -3.070 1.00 0.00 N ATOM 0 H ASN A 811 -3.707 9.724 0.171 1.00 0.00 H new ATOM 0 HA ASN A 811 -5.922 11.422 -0.020 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -4.327 9.656 -1.799 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -5.964 9.958 -2.347 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -3.364 12.584 -3.468 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -3.226 10.831 -3.302 1.00 0.00 H new ATOM 862 N ILE A 812 -6.592 8.180 -0.065 1.00 0.00 N ATOM 863 CA ILE A 812 -7.660 7.199 0.108 1.00 0.00 C ATOM 864 C ILE A 812 -8.316 7.356 1.480 1.00 0.00 C ATOM 865 O ILE A 812 -9.524 7.184 1.622 1.00 0.00 O ATOM 866 CB ILE A 812 -7.136 5.749 -0.064 1.00 0.00 C ATOM 867 CG1 ILE A 812 -6.800 5.479 -1.530 1.00 0.00 C ATOM 868 CG2 ILE A 812 -8.151 4.730 0.441 1.00 0.00 C ATOM 869 CD1 ILE A 812 -5.493 4.742 -1.725 1.00 0.00 C ATOM 0 H ILE A 812 -5.659 7.777 -0.146 1.00 0.00 H new ATOM 0 HA ILE A 812 -8.403 7.385 -0.668 1.00 0.00 H new ATOM 0 HB ILE A 812 -6.230 5.646 0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -7.606 4.898 -1.978 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -6.756 6.428 -2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -7.754 3.724 0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -8.346 4.905 1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -9.079 4.832 -0.121 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -5.319 4.585 -2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -4.677 5.332 -1.307 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -5.540 3.778 -1.219 1.00 0.00 H new ATOM 881 N PHE A 813 -7.518 7.705 2.481 1.00 0.00 N ATOM 882 CA PHE A 813 -8.039 7.966 3.819 1.00 0.00 C ATOM 883 C PHE A 813 -8.992 9.158 3.796 1.00 0.00 C ATOM 884 O PHE A 813 -9.903 9.256 4.614 1.00 0.00 O ATOM 885 CB PHE A 813 -6.892 8.233 4.798 1.00 0.00 C ATOM 886 CG PHE A 813 -6.351 6.991 5.446 1.00 0.00 C ATOM 887 CD1 PHE A 813 -7.194 6.121 6.120 1.00 0.00 C ATOM 888 CD2 PHE A 813 -4.999 6.691 5.377 1.00 0.00 C ATOM 889 CE1 PHE A 813 -6.700 4.975 6.712 1.00 0.00 C ATOM 890 CE2 PHE A 813 -4.500 5.547 5.968 1.00 0.00 C ATOM 891 CZ PHE A 813 -5.352 4.688 6.637 1.00 0.00 C ATOM 0 H PHE A 813 -6.508 7.814 2.393 1.00 0.00 H new ATOM 0 HA PHE A 813 -8.586 7.084 4.151 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -6.084 8.738 4.268 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -7.239 8.915 5.574 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -8.249 6.342 6.183 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -4.329 7.359 4.856 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -7.368 4.304 7.233 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -3.445 5.324 5.908 1.00 0.00 H new ATOM 0 HZ PHE A 813 -4.963 3.793 7.100 1.00 0.00 H new ATOM 901 N SER A 814 -8.777 10.053 2.843 1.00 0.00 N ATOM 902 CA SER A 814 -9.618 11.229 2.688 1.00 0.00 C ATOM 903 C SER A 814 -10.778 10.946 1.729 1.00 0.00 C ATOM 904 O SER A 814 -11.856 11.524 1.847 1.00 0.00 O ATOM 905 CB SER A 814 -8.773 12.398 2.172 1.00 0.00 C ATOM 906 OG SER A 814 -7.528 12.466 2.857 1.00 0.00 O ATOM 0 H SER A 814 -8.021 9.985 2.161 1.00 0.00 H new ATOM 0 HA SER A 814 -10.040 11.490 3.658 1.00 0.00 H new ATOM 0 HB2 SER A 814 -8.598 12.281 1.102 1.00 0.00 H new ATOM 0 HB3 SER A 814 -9.318 13.333 2.306 1.00 0.00 H new ATOM 0 HG SER A 814 -6.968 11.707 2.593 1.00 0.00 H new ATOM 912 N SER A 815 -10.550 10.033 0.797 1.00 0.00 N ATOM 913 CA SER A 815 -11.539 9.706 -0.218 1.00 0.00 C ATOM 914 C SER A 815 -12.353 8.486 0.193 1.00 0.00 C ATOM 915 O SER A 815 -13.067 7.903 -0.626 1.00 0.00 O ATOM 916 CB SER A 815 -10.841 9.443 -1.555 1.00 0.00 C ATOM 917 OG SER A 815 -9.857 8.435 -1.427 1.00 0.00 O ATOM 0 H SER A 815 -9.682 9.502 0.723 1.00 0.00 H new ATOM 0 HA SER A 815 -12.219 10.551 -0.325 1.00 0.00 H new ATOM 0 HB2 SER A 815 -11.578 9.144 -2.300 1.00 0.00 H new ATOM 0 HB3 SER A 815 -10.379 10.363 -1.915 1.00 0.00 H new ATOM 0 HG SER A 815 -9.071 8.801 -0.969 1.00 0.00 H new ATOM 923 N MET A 816 -12.239 8.105 1.461 1.00 0.00 N ATOM 924 CA MET A 816 -12.917 6.924 1.977 1.00 0.00 C ATOM 925 C MET A 816 -14.424 7.103 1.917 1.00 0.00 C ATOM 926 O MET A 816 -15.027 7.732 2.785 1.00 0.00 O ATOM 927 CB MET A 816 -12.476 6.629 3.409 1.00 0.00 C ATOM 928 CG MET A 816 -12.389 5.145 3.713 1.00 0.00 C ATOM 929 SD MET A 816 -12.185 4.804 5.469 1.00 0.00 S ATOM 930 CE MET A 816 -10.407 4.618 5.561 1.00 0.00 C ATOM 0 H MET A 816 -11.679 8.602 2.154 1.00 0.00 H new ATOM 0 HA MET A 816 -12.643 6.076 1.350 1.00 0.00 H new ATOM 0 HB2 MET A 816 -11.503 7.087 3.584 1.00 0.00 H new ATOM 0 HB3 MET A 816 -13.177 7.095 4.102 1.00 0.00 H new ATOM 0 HG2 MET A 816 -13.292 4.652 3.354 1.00 0.00 H new ATOM 0 HG3 MET A 816 -11.551 4.715 3.164 1.00 0.00 H new ATOM 0 HE1 MET A 816 -10.065 4.878 6.563 1.00 0.00 H new ATOM 0 HE2 MET A 816 -10.137 3.585 5.343 1.00 0.00 H new ATOM 0 HE3 MET A 816 -9.934 5.278 4.834 1.00 0.00 H new ATOM 940 N GLY A 817 -15.022 6.549 0.878 1.00 0.00 N ATOM 941 CA GLY A 817 -16.441 6.696 0.670 1.00 0.00 C ATOM 942 C GLY A 817 -16.748 7.293 -0.684 1.00 0.00 C ATOM 943 O GLY A 817 -17.846 7.133 -1.201 1.00 0.00 O ATOM 0 H GLY A 817 -14.543 5.995 0.169 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -16.924 5.723 0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -16.860 7.331 1.451 1.00 0.00 H new ATOM 947 N ASP A 818 -15.764 7.964 -1.272 1.00 0.00 N ATOM 948 CA ASP A 818 -15.949 8.602 -2.577 1.00 0.00 C ATOM 949 C ASP A 818 -15.893 7.570 -3.689 1.00 0.00 C ATOM 950 O ASP A 818 -16.280 7.837 -4.829 1.00 0.00 O ATOM 951 CB ASP A 818 -14.893 9.686 -2.806 1.00 0.00 C ATOM 952 CG ASP A 818 -15.505 11.049 -3.071 1.00 0.00 C ATOM 953 OD1 ASP A 818 -16.632 11.305 -2.594 1.00 0.00 O ATOM 954 OD2 ASP A 818 -14.857 11.874 -3.750 1.00 0.00 O ATOM 0 H ASP A 818 -14.834 8.082 -0.871 1.00 0.00 H new ATOM 0 HA ASP A 818 -16.933 9.072 -2.587 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -14.244 9.747 -1.932 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -14.265 9.403 -3.651 1.00 0.00 H new ATOM 959 N ALA A 819 -15.405 6.392 -3.323 1.00 0.00 N ATOM 960 CA ALA A 819 -15.334 5.224 -4.206 1.00 0.00 C ATOM 961 C ALA A 819 -14.349 5.415 -5.364 1.00 0.00 C ATOM 962 O ALA A 819 -13.269 4.822 -5.364 1.00 0.00 O ATOM 963 CB ALA A 819 -16.718 4.860 -4.733 1.00 0.00 C ATOM 0 H ALA A 819 -15.039 6.213 -2.388 1.00 0.00 H new ATOM 0 HA ALA A 819 -14.956 4.399 -3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -16.642 3.991 -5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -17.377 4.628 -3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -17.126 5.701 -5.294 1.00 0.00 H new ATOM 969 N GLY A 820 -14.721 6.249 -6.332 1.00 0.00 N ATOM 970 CA GLY A 820 -13.925 6.426 -7.534 1.00 0.00 C ATOM 971 C GLY A 820 -12.499 6.842 -7.246 1.00 0.00 C ATOM 972 O GLY A 820 -11.554 6.197 -7.708 1.00 0.00 O ATOM 0 H GLY A 820 -15.571 6.812 -6.303 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -13.918 5.494 -8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -14.396 7.178 -8.167 1.00 0.00 H new ATOM 976 N GLU A 821 -12.343 7.913 -6.474 1.00 0.00 N ATOM 977 CA GLU A 821 -11.024 8.415 -6.104 1.00 0.00 C ATOM 978 C GLU A 821 -10.238 7.363 -5.327 1.00 0.00 C ATOM 979 O GLU A 821 -9.027 7.228 -5.495 1.00 0.00 O ATOM 980 CB GLU A 821 -11.158 9.687 -5.266 1.00 0.00 C ATOM 981 CG GLU A 821 -9.868 10.483 -5.157 1.00 0.00 C ATOM 982 CD GLU A 821 -9.438 11.084 -6.478 1.00 0.00 C ATOM 983 OE1 GLU A 821 -10.318 11.493 -7.266 1.00 0.00 O ATOM 984 OE2 GLU A 821 -8.216 11.163 -6.729 1.00 0.00 O ATOM 0 H GLU A 821 -13.119 8.453 -6.090 1.00 0.00 H new ATOM 0 HA GLU A 821 -10.481 8.645 -7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -11.930 10.320 -5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -11.495 9.419 -4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -9.999 11.280 -4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -9.076 9.834 -4.783 1.00 0.00 H new ATOM 991 N MET A 822 -10.941 6.608 -4.493 1.00 0.00 N ATOM 992 CA MET A 822 -10.322 5.561 -3.689 1.00 0.00 C ATOM 993 C MET A 822 -9.662 4.524 -4.586 1.00 0.00 C ATOM 994 O MET A 822 -8.490 4.196 -4.417 1.00 0.00 O ATOM 995 CB MET A 822 -11.365 4.881 -2.813 1.00 0.00 C ATOM 996 CG MET A 822 -11.355 5.341 -1.369 1.00 0.00 C ATOM 997 SD MET A 822 -12.752 4.683 -0.442 1.00 0.00 S ATOM 998 CE MET A 822 -12.675 2.965 -0.928 1.00 0.00 C ATOM 0 H MET A 822 -11.947 6.702 -4.355 1.00 0.00 H new ATOM 0 HA MET A 822 -9.564 6.021 -3.055 1.00 0.00 H new ATOM 0 HB2 MET A 822 -12.353 5.064 -3.235 1.00 0.00 H new ATOM 0 HB3 MET A 822 -11.201 3.804 -2.841 1.00 0.00 H new ATOM 0 HG2 MET A 822 -10.425 5.027 -0.895 1.00 0.00 H new ATOM 0 HG3 MET A 822 -11.378 6.430 -1.335 1.00 0.00 H new ATOM 0 HE1 MET A 822 -13.420 2.396 -0.372 1.00 0.00 H new ATOM 0 HE2 MET A 822 -12.876 2.880 -1.996 1.00 0.00 H new ATOM 0 HE3 MET A 822 -11.682 2.570 -0.713 1.00 0.00 H new ATOM 1008 N VAL A 823 -10.425 4.023 -5.550 1.00 0.00 N ATOM 1009 CA VAL A 823 -9.917 3.036 -6.492 1.00 0.00 C ATOM 1010 C VAL A 823 -8.841 3.651 -7.382 1.00 0.00 C ATOM 1011 O VAL A 823 -7.851 3.000 -7.712 1.00 0.00 O ATOM 1012 CB VAL A 823 -11.051 2.461 -7.368 1.00 0.00 C ATOM 1013 CG1 VAL A 823 -10.517 1.415 -8.334 1.00 0.00 C ATOM 1014 CG2 VAL A 823 -12.147 1.867 -6.495 1.00 0.00 C ATOM 0 H VAL A 823 -11.399 4.285 -5.699 1.00 0.00 H new ATOM 0 HA VAL A 823 -9.482 2.221 -5.913 1.00 0.00 H new ATOM 0 HB VAL A 823 -11.474 3.278 -7.953 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -11.336 1.026 -8.939 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -9.769 1.869 -8.984 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -10.062 0.599 -7.772 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -12.939 1.466 -7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -11.731 1.067 -5.883 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -12.557 2.642 -5.848 1.00 0.00 H new ATOM 1024 N ARG A 824 -9.035 4.916 -7.746 1.00 0.00 N ATOM 1025 CA ARG A 824 -8.067 5.645 -8.558 1.00 0.00 C ATOM 1026 C ARG A 824 -6.706 5.669 -7.873 1.00 0.00 C ATOM 1027 O ARG A 824 -5.706 5.228 -8.441 1.00 0.00 O ATOM 1028 CB ARG A 824 -8.552 7.079 -8.799 1.00 0.00 C ATOM 1029 CG ARG A 824 -7.556 7.946 -9.556 1.00 0.00 C ATOM 1030 CD ARG A 824 -8.253 8.847 -10.564 1.00 0.00 C ATOM 1031 NE ARG A 824 -8.569 8.135 -11.801 1.00 0.00 N ATOM 1032 CZ ARG A 824 -9.792 7.724 -12.137 1.00 0.00 C ATOM 1033 NH1 ARG A 824 -10.833 8.006 -11.363 1.00 0.00 N ATOM 1034 NH2 ARG A 824 -9.974 7.041 -13.260 1.00 0.00 N ATOM 0 H ARG A 824 -9.859 5.459 -7.489 1.00 0.00 H new ATOM 0 HA ARG A 824 -7.969 5.135 -9.516 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -9.488 7.047 -9.356 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -8.769 7.546 -7.838 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -6.993 8.556 -8.850 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -6.837 7.310 -10.072 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -9.171 9.240 -10.126 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -7.615 9.702 -10.789 1.00 0.00 H new ATOM 0 HE ARG A 824 -7.805 7.940 -12.448 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -10.700 8.541 -10.505 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -11.766 7.688 -11.627 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -9.179 6.831 -13.864 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -10.909 6.725 -13.519 1.00 0.00 H new ATOM 1048 N GLN A 825 -6.679 6.165 -6.642 1.00 0.00 N ATOM 1049 CA GLN A 825 -5.440 6.255 -5.887 1.00 0.00 C ATOM 1050 C GLN A 825 -4.879 4.867 -5.596 1.00 0.00 C ATOM 1051 O GLN A 825 -3.668 4.669 -5.611 1.00 0.00 O ATOM 1052 CB GLN A 825 -5.663 7.027 -4.589 1.00 0.00 C ATOM 1053 CG GLN A 825 -6.220 8.422 -4.811 1.00 0.00 C ATOM 1054 CD GLN A 825 -5.156 9.415 -5.232 1.00 0.00 C ATOM 1055 OE1 GLN A 825 -3.987 9.288 -4.866 1.00 0.00 O ATOM 1056 NE2 GLN A 825 -5.551 10.415 -6.004 1.00 0.00 N ATOM 0 H GLN A 825 -7.502 6.510 -6.147 1.00 0.00 H new ATOM 0 HA GLN A 825 -4.710 6.795 -6.491 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -6.348 6.466 -3.953 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -4.718 7.101 -4.051 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -6.996 8.382 -5.575 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -6.694 8.770 -3.893 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -6.529 10.486 -6.286 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -4.878 11.115 -6.317 1.00 0.00 H new ATOM 1065 N ALA A 826 -5.764 3.907 -5.351 1.00 0.00 N ATOM 1066 CA ALA A 826 -5.346 2.531 -5.103 1.00 0.00 C ATOM 1067 C ALA A 826 -4.594 1.964 -6.305 1.00 0.00 C ATOM 1068 O ALA A 826 -3.630 1.213 -6.149 1.00 0.00 O ATOM 1069 CB ALA A 826 -6.550 1.662 -4.769 1.00 0.00 C ATOM 0 H ALA A 826 -6.773 4.055 -5.319 1.00 0.00 H new ATOM 0 HA ALA A 826 -4.669 2.530 -4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -6.221 0.639 -4.587 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -7.042 2.049 -3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -7.251 1.675 -5.604 1.00 0.00 H new ATOM 1075 N ARG A 827 -5.034 2.338 -7.502 1.00 0.00 N ATOM 1076 CA ARG A 827 -4.373 1.906 -8.727 1.00 0.00 C ATOM 1077 C ARG A 827 -2.993 2.544 -8.836 1.00 0.00 C ATOM 1078 O ARG A 827 -2.028 1.897 -9.244 1.00 0.00 O ATOM 1079 CB ARG A 827 -5.221 2.267 -9.947 1.00 0.00 C ATOM 1080 CG ARG A 827 -6.459 1.401 -10.099 1.00 0.00 C ATOM 1081 CD ARG A 827 -7.156 1.655 -11.422 1.00 0.00 C ATOM 1082 NE ARG A 827 -6.804 0.648 -12.425 1.00 0.00 N ATOM 1083 CZ ARG A 827 -6.012 0.876 -13.473 1.00 0.00 C ATOM 1084 NH1 ARG A 827 -5.504 2.083 -13.680 1.00 0.00 N ATOM 1085 NH2 ARG A 827 -5.733 -0.110 -14.314 1.00 0.00 N ATOM 0 H ARG A 827 -5.845 2.939 -7.649 1.00 0.00 H new ATOM 0 HA ARG A 827 -4.256 0.823 -8.694 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -5.524 3.311 -9.873 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -4.610 2.175 -10.845 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -6.180 0.350 -10.030 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -7.148 1.602 -9.279 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -8.235 1.655 -11.270 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -6.886 2.645 -11.791 1.00 0.00 H new ATOM 0 HE ARG A 827 -7.190 -0.290 -12.315 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -5.718 2.844 -13.035 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -4.899 2.251 -14.484 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -6.124 -1.039 -14.158 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -5.128 0.061 -15.117 1.00 0.00 H new ATOM 1099 N ILE A 828 -2.907 3.814 -8.454 1.00 0.00 N ATOM 1100 CA ILE A 828 -1.632 4.522 -8.422 1.00 0.00 C ATOM 1101 C ILE A 828 -0.718 3.903 -7.367 1.00 0.00 C ATOM 1102 O ILE A 828 0.491 3.780 -7.569 1.00 0.00 O ATOM 1103 CB ILE A 828 -1.826 6.027 -8.126 1.00 0.00 C ATOM 1104 CG1 ILE A 828 -2.778 6.654 -9.147 1.00 0.00 C ATOM 1105 CG2 ILE A 828 -0.488 6.755 -8.135 1.00 0.00 C ATOM 1106 CD1 ILE A 828 -3.602 7.797 -8.591 1.00 0.00 C ATOM 0 H ILE A 828 -3.707 4.375 -8.162 1.00 0.00 H new ATOM 0 HA ILE A 828 -1.173 4.427 -9.406 1.00 0.00 H new ATOM 0 HB ILE A 828 -2.265 6.126 -7.133 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -2.198 7.015 -9.996 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -3.450 5.883 -9.524 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -0.648 7.812 -7.925 1.00 0.00 H new ATOM 0 HG22 ILE A 828 0.164 6.328 -7.373 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -0.021 6.646 -9.114 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -4.252 8.190 -9.372 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -4.209 7.437 -7.760 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -2.938 8.587 -8.240 1.00 0.00 H new ATOM 1118 N LEU A 829 -1.314 3.501 -6.251 1.00 0.00 N ATOM 1119 CA LEU A 829 -0.597 2.818 -5.183 1.00 0.00 C ATOM 1120 C LEU A 829 0.060 1.551 -5.721 1.00 0.00 C ATOM 1121 O LEU A 829 1.251 1.323 -5.515 1.00 0.00 O ATOM 1122 CB LEU A 829 -1.564 2.477 -4.042 1.00 0.00 C ATOM 1123 CG LEU A 829 -0.953 1.794 -2.812 1.00 0.00 C ATOM 1124 CD1 LEU A 829 0.359 2.457 -2.414 1.00 0.00 C ATOM 1125 CD2 LEU A 829 -1.931 1.831 -1.653 1.00 0.00 C ATOM 0 H LEU A 829 -2.307 3.639 -6.062 1.00 0.00 H new ATOM 0 HA LEU A 829 0.182 3.476 -4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -2.047 3.398 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -2.346 1.830 -4.439 1.00 0.00 H new ATOM 0 HG LEU A 829 -0.745 0.755 -3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 829 0.771 1.953 -1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 829 1.067 2.387 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 829 0.180 3.506 -2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -1.486 1.343 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -2.164 2.867 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -2.846 1.310 -1.933 1.00 0.00 H new ATOM 1137 N ALA A 830 -0.721 0.751 -6.440 1.00 0.00 N ATOM 1138 CA ALA A 830 -0.219 -0.482 -7.033 1.00 0.00 C ATOM 1139 C ALA A 830 0.923 -0.192 -8.001 1.00 0.00 C ATOM 1140 O ALA A 830 1.911 -0.926 -8.052 1.00 0.00 O ATOM 1141 CB ALA A 830 -1.342 -1.224 -7.742 1.00 0.00 C ATOM 0 H ALA A 830 -1.707 0.936 -6.626 1.00 0.00 H new ATOM 0 HA ALA A 830 0.166 -1.114 -6.233 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -0.952 -2.143 -8.180 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -2.126 -1.468 -7.025 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -1.754 -0.593 -8.530 1.00 0.00 H new ATOM 1147 N GLN A 831 0.782 0.891 -8.755 1.00 0.00 N ATOM 1148 CA GLN A 831 1.802 1.308 -9.706 1.00 0.00 C ATOM 1149 C GLN A 831 3.091 1.702 -8.991 1.00 0.00 C ATOM 1150 O GLN A 831 4.188 1.315 -9.400 1.00 0.00 O ATOM 1151 CB GLN A 831 1.295 2.487 -10.534 1.00 0.00 C ATOM 1152 CG GLN A 831 1.500 2.311 -12.024 1.00 0.00 C ATOM 1153 CD GLN A 831 0.388 1.518 -12.669 1.00 0.00 C ATOM 1154 OE1 GLN A 831 -0.648 2.069 -13.040 1.00 0.00 O ATOM 1155 NE2 GLN A 831 0.595 0.222 -12.816 1.00 0.00 N ATOM 0 H GLN A 831 -0.036 1.500 -8.725 1.00 0.00 H new ATOM 0 HA GLN A 831 2.015 0.465 -10.363 1.00 0.00 H new ATOM 0 HB2 GLN A 831 0.233 2.630 -10.336 1.00 0.00 H new ATOM 0 HB3 GLN A 831 1.805 3.394 -10.210 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.565 3.291 -12.497 1.00 0.00 H new ATOM 0 HG3 GLN A 831 2.451 1.808 -12.200 1.00 0.00 H new ATOM 0 HE21 GLN A 831 1.469 -0.195 -12.494 1.00 0.00 H new ATOM 0 HE22 GLN A 831 -0.119 -0.362 -13.251 1.00 0.00 H new ATOM 1164 N ALA A 832 2.951 2.466 -7.916 1.00 0.00 N ATOM 1165 CA ALA A 832 4.099 2.984 -7.185 1.00 0.00 C ATOM 1166 C ALA A 832 4.857 1.871 -6.465 1.00 0.00 C ATOM 1167 O ALA A 832 6.075 1.758 -6.601 1.00 0.00 O ATOM 1168 CB ALA A 832 3.655 4.049 -6.199 1.00 0.00 C ATOM 0 H ALA A 832 2.048 2.742 -7.529 1.00 0.00 H new ATOM 0 HA ALA A 832 4.781 3.431 -7.908 1.00 0.00 H new ATOM 0 HB1 ALA A 832 4.522 4.429 -5.659 1.00 0.00 H new ATOM 0 HB2 ALA A 832 3.177 4.867 -6.738 1.00 0.00 H new ATOM 0 HB3 ALA A 832 2.947 3.617 -5.492 1.00 0.00 H new ATOM 1174 N THR A 833 4.141 1.043 -5.713 1.00 0.00 N ATOM 1175 CA THR A 833 4.777 -0.010 -4.934 1.00 0.00 C ATOM 1176 C THR A 833 5.440 -1.058 -5.825 1.00 0.00 C ATOM 1177 O THR A 833 6.464 -1.633 -5.453 1.00 0.00 O ATOM 1178 CB THR A 833 3.779 -0.699 -3.990 1.00 0.00 C ATOM 1179 OG1 THR A 833 2.887 0.272 -3.431 1.00 0.00 O ATOM 1180 CG2 THR A 833 4.515 -1.418 -2.871 1.00 0.00 C ATOM 0 H THR A 833 3.125 1.081 -5.627 1.00 0.00 H new ATOM 0 HA THR A 833 5.548 0.477 -4.337 1.00 0.00 H new ATOM 0 HB THR A 833 3.208 -1.430 -4.563 1.00 0.00 H new ATOM 0 HG1 THR A 833 2.252 -0.174 -2.832 1.00 0.00 H new ATOM 0 HG21 THR A 833 3.793 -1.900 -2.212 1.00 0.00 H new ATOM 0 HG22 THR A 833 5.178 -2.171 -3.297 1.00 0.00 H new ATOM 0 HG23 THR A 833 5.103 -0.698 -2.301 1.00 0.00 H new ATOM 1188 N SER A 834 4.869 -1.298 -7.003 1.00 0.00 N ATOM 1189 CA SER A 834 5.462 -2.236 -7.950 1.00 0.00 C ATOM 1190 C SER A 834 6.864 -1.778 -8.336 1.00 0.00 C ATOM 1191 O SER A 834 7.782 -2.589 -8.476 1.00 0.00 O ATOM 1192 CB SER A 834 4.588 -2.368 -9.200 1.00 0.00 C ATOM 1193 OG SER A 834 3.347 -2.985 -8.895 1.00 0.00 O ATOM 0 H SER A 834 4.005 -0.860 -7.322 1.00 0.00 H new ATOM 0 HA SER A 834 5.528 -3.213 -7.471 1.00 0.00 H new ATOM 0 HB2 SER A 834 4.411 -1.382 -9.629 1.00 0.00 H new ATOM 0 HB3 SER A 834 5.113 -2.954 -9.954 1.00 0.00 H new ATOM 0 HG SER A 834 2.655 -2.298 -8.797 1.00 0.00 H new ATOM 1199 N ASP A 835 7.022 -0.468 -8.481 1.00 0.00 N ATOM 1200 CA ASP A 835 8.309 0.123 -8.818 1.00 0.00 C ATOM 1201 C ASP A 835 9.186 0.231 -7.574 1.00 0.00 C ATOM 1202 O ASP A 835 10.400 0.050 -7.637 1.00 0.00 O ATOM 1203 CB ASP A 835 8.101 1.507 -9.438 1.00 0.00 C ATOM 1204 CG ASP A 835 9.354 2.050 -10.093 1.00 0.00 C ATOM 1205 OD1 ASP A 835 10.088 1.266 -10.731 1.00 0.00 O ATOM 1206 OD2 ASP A 835 9.602 3.270 -9.982 1.00 0.00 O ATOM 0 H ASP A 835 6.267 0.209 -8.369 1.00 0.00 H new ATOM 0 HA ASP A 835 8.811 -0.519 -9.542 1.00 0.00 H new ATOM 0 HB2 ASP A 835 7.304 1.452 -10.179 1.00 0.00 H new ATOM 0 HB3 ASP A 835 7.771 2.201 -8.665 1.00 0.00 H new ATOM 1211 N LEU A 836 8.554 0.523 -6.442 1.00 0.00 N ATOM 1212 CA LEU A 836 9.252 0.652 -5.164 1.00 0.00 C ATOM 1213 C LEU A 836 9.935 -0.659 -4.779 1.00 0.00 C ATOM 1214 O LEU A 836 11.132 -0.683 -4.500 1.00 0.00 O ATOM 1215 CB LEU A 836 8.262 1.079 -4.075 1.00 0.00 C ATOM 1216 CG LEU A 836 8.754 0.951 -2.629 1.00 0.00 C ATOM 1217 CD1 LEU A 836 9.751 2.052 -2.309 1.00 0.00 C ATOM 1218 CD2 LEU A 836 7.582 1.000 -1.663 1.00 0.00 C ATOM 0 H LEU A 836 7.547 0.677 -6.382 1.00 0.00 H new ATOM 0 HA LEU A 836 10.024 1.415 -5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 836 7.984 2.118 -4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 836 7.355 0.484 -4.183 1.00 0.00 H new ATOM 0 HG LEU A 836 9.253 -0.011 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 836 10.091 1.947 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 836 10.605 1.976 -2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 836 9.273 3.024 -2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 836 7.949 0.908 -0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 836 7.057 1.948 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 836 6.898 0.179 -1.879 1.00 0.00 H new ATOM 1230 N VAL A 837 9.174 -1.747 -4.790 1.00 0.00 N ATOM 1231 CA VAL A 837 9.694 -3.055 -4.404 1.00 0.00 C ATOM 1232 C VAL A 837 10.816 -3.494 -5.347 1.00 0.00 C ATOM 1233 O VAL A 837 11.818 -4.069 -4.913 1.00 0.00 O ATOM 1234 CB VAL A 837 8.572 -4.118 -4.383 1.00 0.00 C ATOM 1235 CG1 VAL A 837 9.134 -5.523 -4.198 1.00 0.00 C ATOM 1236 CG2 VAL A 837 7.568 -3.799 -3.285 1.00 0.00 C ATOM 0 H VAL A 837 8.191 -1.750 -5.063 1.00 0.00 H new ATOM 0 HA VAL A 837 10.099 -2.964 -3.396 1.00 0.00 H new ATOM 0 HB VAL A 837 8.066 -4.090 -5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 837 8.316 -6.244 -4.188 1.00 0.00 H new ATOM 0 HG12 VAL A 837 9.812 -5.755 -5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 837 9.676 -5.577 -3.254 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.782 -4.554 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 837 8.074 -3.795 -2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.128 -2.819 -3.468 1.00 0.00 H new ATOM 1246 N ASN A 838 10.657 -3.191 -6.629 1.00 0.00 N ATOM 1247 CA ASN A 838 11.670 -3.531 -7.622 1.00 0.00 C ATOM 1248 C ASN A 838 12.955 -2.748 -7.367 1.00 0.00 C ATOM 1249 O ASN A 838 14.056 -3.285 -7.483 1.00 0.00 O ATOM 1250 CB ASN A 838 11.165 -3.252 -9.038 1.00 0.00 C ATOM 1251 CG ASN A 838 12.039 -3.904 -10.090 1.00 0.00 C ATOM 1252 OD1 ASN A 838 12.138 -5.128 -10.159 1.00 0.00 O ATOM 1253 ND2 ASN A 838 12.677 -3.094 -10.917 1.00 0.00 N ATOM 0 H ASN A 838 9.839 -2.712 -7.006 1.00 0.00 H new ATOM 0 HA ASN A 838 11.880 -4.597 -7.532 1.00 0.00 H new ATOM 0 HB2 ASN A 838 10.143 -3.618 -9.137 1.00 0.00 H new ATOM 0 HB3 ASN A 838 11.136 -2.176 -9.207 1.00 0.00 H new ATOM 0 HD21 ASN A 838 13.278 -3.479 -11.646 1.00 0.00 H new ATOM 0 HD22 ASN A 838 12.568 -2.084 -10.827 1.00 0.00 H new ATOM 1260 N ALA A 839 12.802 -1.480 -7.005 1.00 0.00 N ATOM 1261 CA ALA A 839 13.942 -0.627 -6.700 1.00 0.00 C ATOM 1262 C ALA A 839 14.678 -1.124 -5.457 1.00 0.00 C ATOM 1263 O ALA A 839 15.901 -1.015 -5.362 1.00 0.00 O ATOM 1264 CB ALA A 839 13.487 0.811 -6.514 1.00 0.00 C ATOM 0 H ALA A 839 11.896 -1.019 -6.916 1.00 0.00 H new ATOM 0 HA ALA A 839 14.636 -0.668 -7.540 1.00 0.00 H new ATOM 0 HB1 ALA A 839 14.349 1.439 -6.286 1.00 0.00 H new ATOM 0 HB2 ALA A 839 13.013 1.164 -7.430 1.00 0.00 H new ATOM 0 HB3 ALA A 839 12.773 0.863 -5.692 1.00 0.00 H new ATOM 1270 N ILE A 840 13.926 -1.664 -4.507 1.00 0.00 N ATOM 1271 CA ILE A 840 14.518 -2.261 -3.315 1.00 0.00 C ATOM 1272 C ILE A 840 15.338 -3.487 -3.700 1.00 0.00 C ATOM 1273 O ILE A 840 16.460 -3.671 -3.228 1.00 0.00 O ATOM 1274 CB ILE A 840 13.434 -2.652 -2.282 1.00 0.00 C ATOM 1275 CG1 ILE A 840 13.125 -1.465 -1.376 1.00 0.00 C ATOM 1276 CG2 ILE A 840 13.863 -3.851 -1.445 1.00 0.00 C ATOM 1277 CD1 ILE A 840 11.694 -0.995 -1.466 1.00 0.00 C ATOM 0 H ILE A 840 12.907 -1.701 -4.537 1.00 0.00 H new ATOM 0 HA ILE A 840 15.169 -1.519 -2.854 1.00 0.00 H new ATOM 0 HB ILE A 840 12.535 -2.934 -2.831 1.00 0.00 H new ATOM 0 HG12 ILE A 840 13.345 -1.739 -0.344 1.00 0.00 H new ATOM 0 HG13 ILE A 840 13.787 -0.639 -1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 840 13.077 -4.096 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 840 14.040 -4.706 -2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 840 14.780 -3.610 -0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 840 11.546 -0.149 -0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 840 11.475 -0.690 -2.489 1.00 0.00 H new ATOM 0 HD13 ILE A 840 11.026 -1.807 -1.179 1.00 0.00 H new ATOM 1289 N LYS A 841 14.774 -4.307 -4.579 1.00 0.00 N ATOM 1290 CA LYS A 841 15.443 -5.508 -5.059 1.00 0.00 C ATOM 1291 C LYS A 841 16.746 -5.150 -5.770 1.00 0.00 C ATOM 1292 O LYS A 841 17.719 -5.902 -5.726 1.00 0.00 O ATOM 1293 CB LYS A 841 14.518 -6.274 -6.007 1.00 0.00 C ATOM 1294 CG LYS A 841 14.968 -7.696 -6.290 1.00 0.00 C ATOM 1295 CD LYS A 841 14.234 -8.282 -7.484 1.00 0.00 C ATOM 1296 CE LYS A 841 14.674 -7.630 -8.784 1.00 0.00 C ATOM 1297 NZ LYS A 841 14.541 -8.549 -9.942 1.00 0.00 N ATOM 0 H LYS A 841 13.846 -4.159 -4.976 1.00 0.00 H new ATOM 0 HA LYS A 841 15.681 -6.140 -4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 841 13.516 -6.299 -5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 841 14.449 -5.731 -6.949 1.00 0.00 H new ATOM 0 HG2 LYS A 841 16.041 -7.709 -6.479 1.00 0.00 H new ATOM 0 HG3 LYS A 841 14.791 -8.317 -5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 841 14.417 -9.355 -7.534 1.00 0.00 H new ATOM 0 HD3 LYS A 841 13.160 -8.148 -7.354 1.00 0.00 H new ATOM 0 HE2 LYS A 841 14.077 -6.736 -8.961 1.00 0.00 H new ATOM 0 HE3 LYS A 841 15.711 -7.308 -8.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 14.852 -8.064 -10.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 15.131 -9.391 -9.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 13.547 -8.837 -10.044 1.00 0.00 H new ATOM 1311 N ALA A 842 16.756 -3.997 -6.423 1.00 0.00 N ATOM 1312 CA ALA A 842 17.934 -3.529 -7.136 1.00 0.00 C ATOM 1313 C ALA A 842 19.057 -3.169 -6.167 1.00 0.00 C ATOM 1314 O ALA A 842 20.208 -3.554 -6.374 1.00 0.00 O ATOM 1315 CB ALA A 842 17.583 -2.336 -8.012 1.00 0.00 C ATOM 0 H ALA A 842 15.956 -3.366 -6.473 1.00 0.00 H new ATOM 0 HA ALA A 842 18.288 -4.339 -7.773 1.00 0.00 H new ATOM 0 HB1 ALA A 842 18.475 -1.997 -8.539 1.00 0.00 H new ATOM 0 HB2 ALA A 842 16.822 -2.628 -8.736 1.00 0.00 H new ATOM 0 HB3 ALA A 842 17.200 -1.527 -7.389 1.00 0.00 H new ATOM 1321 N ASP A 843 18.721 -2.442 -5.105 1.00 0.00 N ATOM 1322 CA ASP A 843 19.724 -2.029 -4.126 1.00 0.00 C ATOM 1323 C ASP A 843 20.157 -3.203 -3.262 1.00 0.00 C ATOM 1324 O ASP A 843 21.347 -3.389 -3.007 1.00 0.00 O ATOM 1325 CB ASP A 843 19.205 -0.898 -3.236 1.00 0.00 C ATOM 1326 CG ASP A 843 20.336 -0.051 -2.675 1.00 0.00 C ATOM 1327 OD1 ASP A 843 21.468 -0.140 -3.202 1.00 0.00 O ATOM 1328 OD2 ASP A 843 20.099 0.720 -1.723 1.00 0.00 O ATOM 0 H ASP A 843 17.772 -2.129 -4.901 1.00 0.00 H new ATOM 0 HA ASP A 843 20.585 -1.662 -4.684 1.00 0.00 H new ATOM 0 HB2 ASP A 843 18.529 -0.265 -3.811 1.00 0.00 H new ATOM 0 HB3 ASP A 843 18.626 -1.320 -2.415 1.00 0.00 H new ATOM 1333 N ALA A 844 19.182 -4.001 -2.828 1.00 0.00 N ATOM 1334 CA ALA A 844 19.451 -5.176 -2.005 1.00 0.00 C ATOM 1335 C ALA A 844 20.425 -6.118 -2.701 1.00 0.00 C ATOM 1336 O ALA A 844 21.310 -6.693 -2.067 1.00 0.00 O ATOM 1337 CB ALA A 844 18.156 -5.902 -1.678 1.00 0.00 C ATOM 0 H ALA A 844 18.194 -3.853 -3.035 1.00 0.00 H new ATOM 0 HA ALA A 844 19.909 -4.840 -1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 844 18.374 -6.776 -1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 844 17.491 -5.232 -1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 844 17.673 -6.219 -2.602 1.00 0.00 H new ATOM 1343 N GLU A 845 20.258 -6.270 -4.006 1.00 0.00 N ATOM 1344 CA GLU A 845 21.185 -7.052 -4.802 1.00 0.00 C ATOM 1345 C GLU A 845 22.446 -6.239 -5.054 1.00 0.00 C ATOM 1346 O GLU A 845 22.528 -5.470 -6.011 1.00 0.00 O ATOM 1347 CB GLU A 845 20.539 -7.460 -6.123 1.00 0.00 C ATOM 1348 CG GLU A 845 19.686 -8.709 -6.014 1.00 0.00 C ATOM 1349 CD GLU A 845 20.487 -9.931 -5.618 1.00 0.00 C ATOM 1350 OE1 GLU A 845 21.699 -9.983 -5.925 1.00 0.00 O ATOM 1351 OE2 GLU A 845 19.910 -10.850 -5.000 1.00 0.00 O ATOM 0 H GLU A 845 19.488 -5.861 -4.535 1.00 0.00 H new ATOM 0 HA GLU A 845 21.448 -7.960 -4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 845 19.922 -6.638 -6.487 1.00 0.00 H new ATOM 0 HB3 GLU A 845 21.320 -7.626 -6.865 1.00 0.00 H new ATOM 0 HG2 GLU A 845 18.898 -8.543 -5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 845 19.197 -8.895 -6.970 1.00 0.00 H new ATOM 1358 N GLY A 846 23.416 -6.394 -4.171 1.00 0.00 N ATOM 1359 CA GLY A 846 24.624 -5.601 -4.240 1.00 0.00 C ATOM 1360 C GLY A 846 24.901 -4.917 -2.920 1.00 0.00 C ATOM 1361 O GLY A 846 25.966 -4.329 -2.720 1.00 0.00 O ATOM 0 H GLY A 846 23.388 -7.061 -3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 846 25.467 -6.239 -4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 846 24.528 -4.854 -5.028 1.00 0.00 H new ATOM 1365 N GLU A 847 23.922 -4.987 -2.026 1.00 0.00 N ATOM 1366 CA GLU A 847 24.069 -4.472 -0.675 1.00 0.00 C ATOM 1367 C GLU A 847 25.157 -5.256 0.054 1.00 0.00 C ATOM 1368 O GLU A 847 25.174 -6.489 0.017 1.00 0.00 O ATOM 1369 CB GLU A 847 22.732 -4.578 0.065 1.00 0.00 C ATOM 1370 CG GLU A 847 22.755 -4.023 1.479 1.00 0.00 C ATOM 1371 CD GLU A 847 22.923 -2.519 1.522 1.00 0.00 C ATOM 1372 OE1 GLU A 847 24.062 -2.049 1.330 1.00 0.00 O ATOM 1373 OE2 GLU A 847 21.928 -1.809 1.772 1.00 0.00 O ATOM 0 H GLU A 847 23.010 -5.400 -2.218 1.00 0.00 H new ATOM 0 HA GLU A 847 24.361 -3.423 -0.710 1.00 0.00 H new ATOM 0 HB2 GLU A 847 21.970 -4.050 -0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 847 22.433 -5.626 0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 847 21.828 -4.294 1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 847 23.569 -4.490 2.033 1.00 0.00 H new ATOM 1380 N SER A 848 26.072 -4.535 0.691 1.00 0.00 N ATOM 1381 CA SER A 848 27.225 -5.152 1.332 1.00 0.00 C ATOM 1382 C SER A 848 26.816 -6.002 2.533 1.00 0.00 C ATOM 1383 O SER A 848 27.340 -7.103 2.729 1.00 0.00 O ATOM 1384 CB SER A 848 28.224 -4.071 1.743 1.00 0.00 C ATOM 1385 OG SER A 848 28.382 -3.119 0.704 1.00 0.00 O ATOM 0 H SER A 848 26.037 -3.519 0.777 1.00 0.00 H new ATOM 0 HA SER A 848 27.698 -5.822 0.614 1.00 0.00 H new ATOM 0 HB2 SER A 848 27.879 -3.574 2.650 1.00 0.00 H new ATOM 0 HB3 SER A 848 29.186 -4.527 1.976 1.00 0.00 H new ATOM 0 HG SER A 848 28.974 -2.399 1.007 1.00 0.00 H new ATOM 1391 N ASP A 849 25.886 -5.499 3.334 1.00 0.00 N ATOM 1392 CA ASP A 849 25.372 -6.260 4.468 1.00 0.00 C ATOM 1393 C ASP A 849 24.359 -7.288 3.987 1.00 0.00 C ATOM 1394 O ASP A 849 23.253 -6.937 3.579 1.00 0.00 O ATOM 1395 CB ASP A 849 24.731 -5.336 5.505 1.00 0.00 C ATOM 1396 CG ASP A 849 24.544 -6.022 6.846 1.00 0.00 C ATOM 1397 OD1 ASP A 849 23.698 -6.936 6.945 1.00 0.00 O ATOM 1398 OD2 ASP A 849 25.243 -5.651 7.813 1.00 0.00 O ATOM 0 H ASP A 849 25.473 -4.573 3.222 1.00 0.00 H new ATOM 0 HA ASP A 849 26.208 -6.773 4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 849 25.354 -4.451 5.635 1.00 0.00 H new ATOM 0 HB3 ASP A 849 23.764 -4.994 5.136 1.00 0.00 H new ATOM 1403 N LEU A 850 24.742 -8.557 4.046 1.00 0.00 N ATOM 1404 CA LEU A 850 23.933 -9.632 3.482 1.00 0.00 C ATOM 1405 C LEU A 850 22.688 -9.912 4.320 1.00 0.00 C ATOM 1406 O LEU A 850 21.722 -10.493 3.833 1.00 0.00 O ATOM 1407 CB LEU A 850 24.768 -10.907 3.347 1.00 0.00 C ATOM 1408 CG LEU A 850 25.065 -11.349 1.909 1.00 0.00 C ATOM 1409 CD1 LEU A 850 23.842 -12.003 1.287 1.00 0.00 C ATOM 1410 CD2 LEU A 850 25.529 -10.169 1.063 1.00 0.00 C ATOM 0 H LEU A 850 25.611 -8.869 4.480 1.00 0.00 H new ATOM 0 HA LEU A 850 23.602 -9.306 2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 850 25.715 -10.758 3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 850 24.248 -11.717 3.858 1.00 0.00 H new ATOM 0 HG LEU A 850 25.870 -12.083 1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 850 24.073 -12.310 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 850 23.559 -12.877 1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 850 23.016 -11.292 1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 850 25.733 -10.508 0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 850 24.749 -9.408 1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 850 26.437 -9.747 1.494 1.00 0.00 H new ATOM 1422 N GLU A 851 22.717 -9.534 5.586 1.00 0.00 N ATOM 1423 CA GLU A 851 21.539 -9.673 6.424 1.00 0.00 C ATOM 1424 C GLU A 851 20.554 -8.553 6.129 1.00 0.00 C ATOM 1425 O GLU A 851 19.364 -8.791 5.932 1.00 0.00 O ATOM 1426 CB GLU A 851 21.912 -9.689 7.908 1.00 0.00 C ATOM 1427 CG GLU A 851 21.416 -10.926 8.643 1.00 0.00 C ATOM 1428 CD GLU A 851 21.286 -12.136 7.735 1.00 0.00 C ATOM 1429 OE1 GLU A 851 22.308 -12.573 7.168 1.00 0.00 O ATOM 1430 OE2 GLU A 851 20.160 -12.662 7.591 1.00 0.00 O ATOM 0 H GLU A 851 23.532 -9.134 6.052 1.00 0.00 H new ATOM 0 HA GLU A 851 21.066 -10.628 6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 851 22.996 -9.629 8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 851 21.501 -8.801 8.388 1.00 0.00 H new ATOM 0 HG2 GLU A 851 22.103 -11.160 9.456 1.00 0.00 H new ATOM 0 HG3 GLU A 851 20.448 -10.711 9.095 1.00 0.00 H new ATOM 1437 N ASN A 852 21.066 -7.329 6.078 1.00 0.00 N ATOM 1438 CA ASN A 852 20.241 -6.161 5.796 1.00 0.00 C ATOM 1439 C ASN A 852 19.637 -6.246 4.395 1.00 0.00 C ATOM 1440 O ASN A 852 18.492 -5.834 4.179 1.00 0.00 O ATOM 1441 CB ASN A 852 21.064 -4.876 5.957 1.00 0.00 C ATOM 1442 CG ASN A 852 20.587 -3.740 5.071 1.00 0.00 C ATOM 1443 OD1 ASN A 852 19.429 -3.324 5.130 1.00 0.00 O ATOM 1444 ND2 ASN A 852 21.485 -3.227 4.251 1.00 0.00 N ATOM 0 H ASN A 852 22.053 -7.119 6.229 1.00 0.00 H new ATOM 0 HA ASN A 852 19.421 -6.138 6.513 1.00 0.00 H new ATOM 0 HB2 ASN A 852 21.024 -4.556 6.998 1.00 0.00 H new ATOM 0 HB3 ASN A 852 22.108 -5.091 5.729 1.00 0.00 H new ATOM 0 HD21 ASN A 852 21.231 -2.456 3.634 1.00 0.00 H new ATOM 0 HD22 ASN A 852 22.433 -3.602 4.234 1.00 0.00 H new ATOM 1451 N SER A 853 20.394 -6.802 3.450 1.00 0.00 N ATOM 1452 CA SER A 853 19.901 -6.986 2.093 1.00 0.00 C ATOM 1453 C SER A 853 18.655 -7.867 2.108 1.00 0.00 C ATOM 1454 O SER A 853 17.687 -7.602 1.399 1.00 0.00 O ATOM 1455 CB SER A 853 20.985 -7.601 1.198 1.00 0.00 C ATOM 1456 OG SER A 853 21.336 -8.901 1.630 1.00 0.00 O ATOM 0 H SER A 853 21.348 -7.131 3.602 1.00 0.00 H new ATOM 0 HA SER A 853 19.639 -6.011 1.682 1.00 0.00 H new ATOM 0 HB2 SER A 853 20.629 -7.642 0.169 1.00 0.00 H new ATOM 0 HB3 SER A 853 21.869 -6.963 1.204 1.00 0.00 H new ATOM 0 HG SER A 853 21.904 -9.328 0.955 1.00 0.00 H new ATOM 1462 N ARG A 854 18.681 -8.903 2.946 1.00 0.00 N ATOM 1463 CA ARG A 854 17.528 -9.775 3.116 1.00 0.00 C ATOM 1464 C ARG A 854 16.362 -8.996 3.706 1.00 0.00 C ATOM 1465 O ARG A 854 15.244 -9.074 3.198 1.00 0.00 O ATOM 1466 CB ARG A 854 17.877 -10.954 4.026 1.00 0.00 C ATOM 1467 CG ARG A 854 18.588 -12.081 3.304 1.00 0.00 C ATOM 1468 CD ARG A 854 19.525 -12.828 4.235 1.00 0.00 C ATOM 1469 NE ARG A 854 19.595 -14.252 3.911 1.00 0.00 N ATOM 1470 CZ ARG A 854 19.643 -15.226 4.823 1.00 0.00 C ATOM 1471 NH1 ARG A 854 19.664 -14.936 6.120 1.00 0.00 N ATOM 1472 NH2 ARG A 854 19.691 -16.494 4.439 1.00 0.00 N ATOM 0 H ARG A 854 19.489 -9.156 3.515 1.00 0.00 H new ATOM 0 HA ARG A 854 17.241 -10.160 2.137 1.00 0.00 H new ATOM 0 HB2 ARG A 854 18.508 -10.600 4.842 1.00 0.00 H new ATOM 0 HB3 ARG A 854 16.962 -11.340 4.475 1.00 0.00 H new ATOM 0 HG2 ARG A 854 17.853 -12.773 2.892 1.00 0.00 H new ATOM 0 HG3 ARG A 854 19.152 -11.678 2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 854 20.522 -12.392 4.173 1.00 0.00 H new ATOM 0 HD3 ARG A 854 19.187 -12.706 5.264 1.00 0.00 H new ATOM 0 HE ARG A 854 19.608 -14.518 2.926 1.00 0.00 H new ATOM 0 HH11 ARG A 854 19.643 -13.963 6.425 1.00 0.00 H new ATOM 0 HH12 ARG A 854 19.701 -15.686 6.810 1.00 0.00 H new ATOM 0 HH21 ARG A 854 19.691 -16.726 3.446 1.00 0.00 H new ATOM 0 HH22 ARG A 854 19.728 -17.237 5.137 1.00 0.00 H new ATOM 1486 N LYS A 855 16.651 -8.212 4.749 1.00 0.00 N ATOM 1487 CA LYS A 855 15.642 -7.382 5.420 1.00 0.00 C ATOM 1488 C LYS A 855 14.944 -6.488 4.421 1.00 0.00 C ATOM 1489 O LYS A 855 13.739 -6.243 4.502 1.00 0.00 O ATOM 1490 CB LYS A 855 16.302 -6.477 6.460 1.00 0.00 C ATOM 1491 CG LYS A 855 17.223 -7.206 7.425 1.00 0.00 C ATOM 1492 CD LYS A 855 16.477 -8.267 8.217 1.00 0.00 C ATOM 1493 CE LYS A 855 17.031 -8.405 9.624 1.00 0.00 C ATOM 1494 NZ LYS A 855 16.469 -7.381 10.543 1.00 0.00 N ATOM 0 H LYS A 855 17.585 -8.134 5.151 1.00 0.00 H new ATOM 0 HA LYS A 855 14.928 -8.054 5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 855 16.873 -5.705 5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 855 15.524 -5.970 7.031 1.00 0.00 H new ATOM 0 HG2 LYS A 855 18.038 -7.671 6.870 1.00 0.00 H new ATOM 0 HG3 LYS A 855 17.673 -6.489 8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 855 15.419 -8.009 8.265 1.00 0.00 H new ATOM 0 HD3 LYS A 855 16.549 -9.225 7.701 1.00 0.00 H new ATOM 0 HE2 LYS A 855 16.805 -9.400 10.007 1.00 0.00 H new ATOM 0 HE3 LYS A 855 18.117 -8.313 9.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 855 16.872 -7.509 11.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 855 16.706 -6.431 10.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 855 15.435 -7.485 10.588 1.00 0.00 H new ATOM 1508 N LEU A 856 15.735 -5.988 3.497 1.00 0.00 N ATOM 1509 CA LEU A 856 15.262 -5.109 2.457 1.00 0.00 C ATOM 1510 C LEU A 856 14.120 -5.745 1.690 1.00 0.00 C ATOM 1511 O LEU A 856 13.058 -5.148 1.514 1.00 0.00 O ATOM 1512 CB LEU A 856 16.428 -4.799 1.525 1.00 0.00 C ATOM 1513 CG LEU A 856 17.062 -3.437 1.781 1.00 0.00 C ATOM 1514 CD1 LEU A 856 18.485 -3.360 1.220 1.00 0.00 C ATOM 1515 CD2 LEU A 856 16.187 -2.342 1.191 1.00 0.00 C ATOM 0 H LEU A 856 16.735 -6.184 3.449 1.00 0.00 H new ATOM 0 HA LEU A 856 14.883 -4.187 2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 856 17.188 -5.572 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 856 16.080 -4.841 0.493 1.00 0.00 H new ATOM 0 HG LEU A 856 17.135 -3.293 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 856 18.903 -2.374 1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 856 19.105 -4.121 1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 856 18.461 -3.530 0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 856 16.645 -1.371 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 856 16.086 -2.496 0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 856 15.202 -2.374 1.656 1.00 0.00 H new ATOM 1527 N LEU A 857 14.347 -6.967 1.272 1.00 0.00 N ATOM 1528 CA LEU A 857 13.387 -7.695 0.474 1.00 0.00 C ATOM 1529 C LEU A 857 12.218 -8.200 1.321 1.00 0.00 C ATOM 1530 O LEU A 857 11.122 -8.409 0.804 1.00 0.00 O ATOM 1531 CB LEU A 857 14.107 -8.827 -0.248 1.00 0.00 C ATOM 1532 CG LEU A 857 15.398 -8.384 -0.948 1.00 0.00 C ATOM 1533 CD1 LEU A 857 16.485 -9.442 -0.796 1.00 0.00 C ATOM 1534 CD2 LEU A 857 15.130 -8.107 -2.420 1.00 0.00 C ATOM 0 H LEU A 857 15.202 -7.486 1.475 1.00 0.00 H new ATOM 0 HA LEU A 857 12.950 -7.027 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 857 14.344 -9.612 0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 857 13.434 -9.262 -0.987 1.00 0.00 H new ATOM 0 HG LEU A 857 15.747 -7.466 -0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 857 17.392 -9.107 -1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 857 16.695 -9.599 0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 857 16.147 -10.378 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 857 16.054 -7.793 -2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 857 14.758 -9.013 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 857 14.386 -7.316 -2.512 1.00 0.00 H new ATOM 1546 N SER A 858 12.448 -8.381 2.621 1.00 0.00 N ATOM 1547 CA SER A 858 11.375 -8.756 3.536 1.00 0.00 C ATOM 1548 C SER A 858 10.394 -7.602 3.700 1.00 0.00 C ATOM 1549 O SER A 858 9.180 -7.786 3.625 1.00 0.00 O ATOM 1550 CB SER A 858 11.939 -9.158 4.900 1.00 0.00 C ATOM 1551 OG SER A 858 13.233 -9.719 4.778 1.00 0.00 O ATOM 0 H SER A 858 13.362 -8.274 3.061 1.00 0.00 H new ATOM 0 HA SER A 858 10.851 -9.612 3.112 1.00 0.00 H new ATOM 0 HB2 SER A 858 11.979 -8.284 5.551 1.00 0.00 H new ATOM 0 HB3 SER A 858 11.272 -9.878 5.374 1.00 0.00 H new ATOM 0 HG SER A 858 13.568 -9.965 5.666 1.00 0.00 H new ATOM 1557 N ALA A 859 10.931 -6.405 3.909 1.00 0.00 N ATOM 1558 CA ALA A 859 10.109 -5.211 4.047 1.00 0.00 C ATOM 1559 C ALA A 859 9.347 -4.937 2.755 1.00 0.00 C ATOM 1560 O ALA A 859 8.168 -4.581 2.781 1.00 0.00 O ATOM 1561 CB ALA A 859 10.969 -4.016 4.429 1.00 0.00 C ATOM 0 H ALA A 859 11.934 -6.237 3.987 1.00 0.00 H new ATOM 0 HA ALA A 859 9.383 -5.378 4.843 1.00 0.00 H new ATOM 0 HB1 ALA A 859 10.340 -3.132 4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 859 11.467 -4.215 5.378 1.00 0.00 H new ATOM 0 HB3 ALA A 859 11.717 -3.844 3.655 1.00 0.00 H new ATOM 1567 N ALA A 860 10.023 -5.129 1.629 1.00 0.00 N ATOM 1568 CA ALA A 860 9.404 -4.950 0.322 1.00 0.00 C ATOM 1569 C ALA A 860 8.323 -6.001 0.084 1.00 0.00 C ATOM 1570 O ALA A 860 7.334 -5.746 -0.603 1.00 0.00 O ATOM 1571 CB ALA A 860 10.459 -5.010 -0.771 1.00 0.00 C ATOM 0 H ALA A 860 11.003 -5.410 1.595 1.00 0.00 H new ATOM 0 HA ALA A 860 8.930 -3.969 0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 860 9.984 -4.875 -1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 860 11.192 -4.219 -0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 860 10.958 -5.979 -0.742 1.00 0.00 H new ATOM 1577 N LYS A 861 8.518 -7.179 0.666 1.00 0.00 N ATOM 1578 CA LYS A 861 7.543 -8.258 0.566 1.00 0.00 C ATOM 1579 C LYS A 861 6.229 -7.850 1.223 1.00 0.00 C ATOM 1580 O LYS A 861 5.149 -8.193 0.741 1.00 0.00 O ATOM 1581 CB LYS A 861 8.084 -9.527 1.224 1.00 0.00 C ATOM 1582 CG LYS A 861 7.973 -10.763 0.351 1.00 0.00 C ATOM 1583 CD LYS A 861 8.573 -11.980 1.034 1.00 0.00 C ATOM 1584 CE LYS A 861 8.923 -13.066 0.030 1.00 0.00 C ATOM 1585 NZ LYS A 861 7.712 -13.753 -0.492 1.00 0.00 N ATOM 0 H LYS A 861 9.346 -7.411 1.214 1.00 0.00 H new ATOM 0 HA LYS A 861 7.360 -8.459 -0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 861 9.130 -9.371 1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 861 7.544 -9.701 2.155 1.00 0.00 H new ATOM 0 HG2 LYS A 861 6.925 -10.954 0.119 1.00 0.00 H new ATOM 0 HG3 LYS A 861 8.482 -10.588 -0.597 1.00 0.00 H new ATOM 0 HD2 LYS A 861 9.469 -11.687 1.581 1.00 0.00 H new ATOM 0 HD3 LYS A 861 7.867 -12.373 1.765 1.00 0.00 H new ATOM 0 HE2 LYS A 861 9.477 -12.628 -0.800 1.00 0.00 H new ATOM 0 HE3 LYS A 861 9.580 -13.797 0.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 7.995 -14.486 -1.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 7.196 -14.194 0.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 7.097 -13.060 -0.964 1.00 0.00 H new ATOM 1599 N ILE A 862 6.329 -7.120 2.328 1.00 0.00 N ATOM 1600 CA ILE A 862 5.148 -6.592 2.994 1.00 0.00 C ATOM 1601 C ILE A 862 4.549 -5.455 2.174 1.00 0.00 C ATOM 1602 O ILE A 862 3.331 -5.356 2.031 1.00 0.00 O ATOM 1603 CB ILE A 862 5.461 -6.077 4.416 1.00 0.00 C ATOM 1604 CG1 ILE A 862 6.403 -7.036 5.146 1.00 0.00 C ATOM 1605 CG2 ILE A 862 4.172 -5.896 5.208 1.00 0.00 C ATOM 1606 CD1 ILE A 862 7.231 -6.369 6.223 1.00 0.00 C ATOM 0 H ILE A 862 7.212 -6.882 2.779 1.00 0.00 H new ATOM 0 HA ILE A 862 4.436 -7.413 3.080 1.00 0.00 H new ATOM 0 HB ILE A 862 5.958 -5.111 4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 862 5.816 -7.837 5.595 1.00 0.00 H new ATOM 0 HG13 ILE A 862 7.071 -7.499 4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 862 4.408 -5.533 6.208 1.00 0.00 H new ATOM 0 HG22 ILE A 862 3.532 -5.174 4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 862 3.653 -6.852 5.282 1.00 0.00 H new ATOM 0 HD11 ILE A 862 7.875 -7.109 6.698 1.00 0.00 H new ATOM 0 HD12 ILE A 862 7.845 -5.586 5.777 1.00 0.00 H new ATOM 0 HD13 ILE A 862 6.570 -5.930 6.971 1.00 0.00 H new ATOM 1618 N LEU A 863 5.423 -4.613 1.624 1.00 0.00 N ATOM 1619 CA LEU A 863 5.007 -3.492 0.786 1.00 0.00 C ATOM 1620 C LEU A 863 4.099 -3.961 -0.348 1.00 0.00 C ATOM 1621 O LEU A 863 2.964 -3.498 -0.483 1.00 0.00 O ATOM 1622 CB LEU A 863 6.234 -2.789 0.193 1.00 0.00 C ATOM 1623 CG LEU A 863 6.544 -1.396 0.750 1.00 0.00 C ATOM 1624 CD1 LEU A 863 5.262 -0.622 1.022 1.00 0.00 C ATOM 1625 CD2 LEU A 863 7.382 -1.506 2.012 1.00 0.00 C ATOM 0 H LEU A 863 6.433 -4.689 1.746 1.00 0.00 H new ATOM 0 HA LEU A 863 4.453 -2.795 1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 863 7.105 -3.425 0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 863 6.094 -2.705 -0.885 1.00 0.00 H new ATOM 0 HG LEU A 863 7.115 -0.847 0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 863 5.509 0.364 1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 863 4.700 -0.511 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 863 4.658 -1.163 1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 863 7.594 -0.508 2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 863 6.835 -2.075 2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.319 -2.014 1.783 1.00 0.00 H new ATOM 1637 N ALA A 864 4.604 -4.891 -1.151 1.00 0.00 N ATOM 1638 CA ALA A 864 3.872 -5.392 -2.307 1.00 0.00 C ATOM 1639 C ALA A 864 2.574 -6.077 -1.889 1.00 0.00 C ATOM 1640 O ALA A 864 1.523 -5.856 -2.495 1.00 0.00 O ATOM 1641 CB ALA A 864 4.744 -6.351 -3.105 1.00 0.00 C ATOM 0 H ALA A 864 5.523 -5.315 -1.021 1.00 0.00 H new ATOM 0 HA ALA A 864 3.612 -4.541 -2.936 1.00 0.00 H new ATOM 0 HB1 ALA A 864 4.186 -6.719 -3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 864 5.638 -5.830 -3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 864 5.033 -7.191 -2.474 1.00 0.00 H new ATOM 1647 N ASP A 865 2.650 -6.891 -0.845 1.00 0.00 N ATOM 1648 CA ASP A 865 1.494 -7.646 -0.377 1.00 0.00 C ATOM 1649 C ASP A 865 0.396 -6.722 0.138 1.00 0.00 C ATOM 1650 O ASP A 865 -0.774 -6.873 -0.221 1.00 0.00 O ATOM 1651 CB ASP A 865 1.902 -8.624 0.724 1.00 0.00 C ATOM 1652 CG ASP A 865 0.758 -9.516 1.153 1.00 0.00 C ATOM 1653 OD1 ASP A 865 0.181 -10.210 0.292 1.00 0.00 O ATOM 1654 OD2 ASP A 865 0.425 -9.526 2.355 1.00 0.00 O ATOM 0 H ASP A 865 3.501 -7.046 -0.305 1.00 0.00 H new ATOM 0 HA ASP A 865 1.102 -8.204 -1.227 1.00 0.00 H new ATOM 0 HB2 ASP A 865 2.728 -9.241 0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 865 2.267 -8.066 1.586 1.00 0.00 H new ATOM 1659 N ALA A 866 0.777 -5.763 0.975 1.00 0.00 N ATOM 1660 CA ALA A 866 -0.179 -4.825 1.554 1.00 0.00 C ATOM 1661 C ALA A 866 -0.849 -3.989 0.471 1.00 0.00 C ATOM 1662 O ALA A 866 -2.033 -3.667 0.564 1.00 0.00 O ATOM 1663 CB ALA A 866 0.511 -3.926 2.568 1.00 0.00 C ATOM 0 H ALA A 866 1.743 -5.614 1.268 1.00 0.00 H new ATOM 0 HA ALA A 866 -0.952 -5.400 2.064 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -0.214 -3.232 2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 866 0.937 -4.536 3.364 1.00 0.00 H new ATOM 0 HB3 ALA A 866 1.306 -3.365 2.076 1.00 0.00 H new ATOM 1669 N THR A 867 -0.088 -3.659 -0.565 1.00 0.00 N ATOM 1670 CA THR A 867 -0.604 -2.880 -1.680 1.00 0.00 C ATOM 1671 C THR A 867 -1.740 -3.616 -2.391 1.00 0.00 C ATOM 1672 O THR A 867 -2.737 -3.004 -2.779 1.00 0.00 O ATOM 1673 CB THR A 867 0.517 -2.548 -2.681 1.00 0.00 C ATOM 1674 OG1 THR A 867 1.540 -1.790 -2.021 1.00 0.00 O ATOM 1675 CG2 THR A 867 -0.015 -1.758 -3.866 1.00 0.00 C ATOM 0 H THR A 867 0.894 -3.921 -0.655 1.00 0.00 H new ATOM 0 HA THR A 867 -0.999 -1.949 -1.274 1.00 0.00 H new ATOM 0 HB THR A 867 0.928 -3.486 -3.054 1.00 0.00 H new ATOM 0 HG1 THR A 867 1.980 -2.350 -1.348 1.00 0.00 H new ATOM 0 HG21 THR A 867 0.802 -1.540 -4.554 1.00 0.00 H new ATOM 0 HG22 THR A 867 -0.777 -2.343 -4.381 1.00 0.00 H new ATOM 0 HG23 THR A 867 -0.452 -0.824 -3.514 1.00 0.00 H new ATOM 1683 N ALA A 868 -1.603 -4.930 -2.539 1.00 0.00 N ATOM 1684 CA ALA A 868 -2.648 -5.729 -3.167 1.00 0.00 C ATOM 1685 C ALA A 868 -3.904 -5.720 -2.311 1.00 0.00 C ATOM 1686 O ALA A 868 -5.016 -5.635 -2.825 1.00 0.00 O ATOM 1687 CB ALA A 868 -2.184 -7.156 -3.398 1.00 0.00 C ATOM 0 H ALA A 868 -0.786 -5.460 -2.235 1.00 0.00 H new ATOM 0 HA ALA A 868 -2.874 -5.285 -4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -2.985 -7.727 -3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -1.310 -7.153 -4.049 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -1.924 -7.613 -2.443 1.00 0.00 H new ATOM 1693 N LYS A 869 -3.715 -5.795 -0.998 1.00 0.00 N ATOM 1694 CA LYS A 869 -4.831 -5.750 -0.065 1.00 0.00 C ATOM 1695 C LYS A 869 -5.517 -4.391 -0.132 1.00 0.00 C ATOM 1696 O LYS A 869 -6.742 -4.302 -0.077 1.00 0.00 O ATOM 1697 CB LYS A 869 -4.352 -6.025 1.362 1.00 0.00 C ATOM 1698 CG LYS A 869 -5.451 -6.529 2.283 1.00 0.00 C ATOM 1699 CD LYS A 869 -4.915 -7.527 3.298 1.00 0.00 C ATOM 1700 CE LYS A 869 -4.782 -8.918 2.698 1.00 0.00 C ATOM 1701 NZ LYS A 869 -3.612 -9.650 3.250 1.00 0.00 N ATOM 0 H LYS A 869 -2.800 -5.887 -0.558 1.00 0.00 H new ATOM 0 HA LYS A 869 -5.546 -6.523 -0.346 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -3.548 -6.761 1.332 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -3.931 -5.110 1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -5.905 -5.686 2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -6.237 -6.998 1.691 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -3.943 -7.192 3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -5.581 -7.564 4.160 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -5.691 -9.486 2.894 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -4.683 -8.838 1.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -3.556 -10.593 2.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -2.741 -9.121 3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -3.719 -9.749 4.280 1.00 0.00 H new ATOM 1715 N MET A 870 -4.715 -3.340 -0.261 1.00 0.00 N ATOM 1716 CA MET A 870 -5.234 -1.984 -0.386 1.00 0.00 C ATOM 1717 C MET A 870 -6.105 -1.855 -1.629 1.00 0.00 C ATOM 1718 O MET A 870 -7.230 -1.361 -1.557 1.00 0.00 O ATOM 1719 CB MET A 870 -4.085 -0.971 -0.436 1.00 0.00 C ATOM 1720 CG MET A 870 -4.052 -0.042 0.766 1.00 0.00 C ATOM 1721 SD MET A 870 -4.435 1.674 0.361 1.00 0.00 S ATOM 1722 CE MET A 870 -6.121 1.535 -0.223 1.00 0.00 C ATOM 0 H MET A 870 -3.697 -3.403 -0.282 1.00 0.00 H new ATOM 0 HA MET A 870 -5.847 -1.772 0.490 1.00 0.00 H new ATOM 0 HB2 MET A 870 -3.138 -1.508 -0.498 1.00 0.00 H new ATOM 0 HB3 MET A 870 -4.174 -0.376 -1.345 1.00 0.00 H new ATOM 0 HG2 MET A 870 -4.764 -0.399 1.510 1.00 0.00 H new ATOM 0 HG3 MET A 870 -3.063 -0.087 1.223 1.00 0.00 H new ATOM 0 HE1 MET A 870 -6.160 1.783 -1.284 1.00 0.00 H new ATOM 0 HE2 MET A 870 -6.474 0.514 -0.075 1.00 0.00 H new ATOM 0 HE3 MET A 870 -6.757 2.223 0.334 1.00 0.00 H new ATOM 1732 N VAL A 871 -5.588 -2.321 -2.760 1.00 0.00 N ATOM 1733 CA VAL A 871 -6.320 -2.256 -4.019 1.00 0.00 C ATOM 1734 C VAL A 871 -7.561 -3.151 -3.974 1.00 0.00 C ATOM 1735 O VAL A 871 -8.625 -2.785 -4.481 1.00 0.00 O ATOM 1736 CB VAL A 871 -5.403 -2.625 -5.221 1.00 0.00 C ATOM 1737 CG1 VAL A 871 -5.732 -3.990 -5.814 1.00 0.00 C ATOM 1738 CG2 VAL A 871 -5.485 -1.551 -6.292 1.00 0.00 C ATOM 0 H VAL A 871 -4.664 -2.748 -2.831 1.00 0.00 H new ATOM 0 HA VAL A 871 -6.653 -1.228 -4.162 1.00 0.00 H new ATOM 0 HB VAL A 871 -4.384 -2.683 -4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -5.062 -4.195 -6.649 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -5.607 -4.758 -5.051 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -6.763 -3.994 -6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -4.839 -1.820 -7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -6.514 -1.464 -6.642 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -5.161 -0.597 -5.876 1.00 0.00 H new ATOM 1748 N GLU A 872 -7.426 -4.308 -3.333 1.00 0.00 N ATOM 1749 CA GLU A 872 -8.517 -5.262 -3.227 1.00 0.00 C ATOM 1750 C GLU A 872 -9.636 -4.712 -2.347 1.00 0.00 C ATOM 1751 O GLU A 872 -10.809 -4.739 -2.724 1.00 0.00 O ATOM 1752 CB GLU A 872 -7.999 -6.590 -2.664 1.00 0.00 C ATOM 1753 CG GLU A 872 -8.642 -7.813 -3.297 1.00 0.00 C ATOM 1754 CD GLU A 872 -9.710 -8.427 -2.416 1.00 0.00 C ATOM 1755 OE1 GLU A 872 -9.405 -8.774 -1.255 1.00 0.00 O ATOM 1756 OE2 GLU A 872 -10.864 -8.558 -2.872 1.00 0.00 O ATOM 0 H GLU A 872 -6.564 -4.606 -2.877 1.00 0.00 H new ATOM 0 HA GLU A 872 -8.924 -5.434 -4.224 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -6.920 -6.641 -2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -8.176 -6.613 -1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -9.081 -7.534 -4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -7.873 -8.558 -3.504 1.00 0.00 H new ATOM 1763 N ALA A 873 -9.266 -4.197 -1.181 1.00 0.00 N ATOM 1764 CA ALA A 873 -10.237 -3.654 -0.240 1.00 0.00 C ATOM 1765 C ALA A 873 -10.912 -2.412 -0.802 1.00 0.00 C ATOM 1766 O ALA A 873 -12.118 -2.229 -0.639 1.00 0.00 O ATOM 1767 CB ALA A 873 -9.572 -3.338 1.090 1.00 0.00 C ATOM 0 H ALA A 873 -8.298 -4.144 -0.864 1.00 0.00 H new ATOM 0 HA ALA A 873 -11.004 -4.411 -0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -10.313 -2.933 1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -9.145 -4.249 1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -8.781 -2.604 0.936 1.00 0.00 H new ATOM 1773 N ALA A 874 -10.134 -1.564 -1.470 1.00 0.00 N ATOM 1774 CA ALA A 874 -10.667 -0.344 -2.062 1.00 0.00 C ATOM 1775 C ALA A 874 -11.745 -0.665 -3.090 1.00 0.00 C ATOM 1776 O ALA A 874 -12.846 -0.123 -3.034 1.00 0.00 O ATOM 1777 CB ALA A 874 -9.554 0.474 -2.701 1.00 0.00 C ATOM 0 H ALA A 874 -9.133 -1.701 -1.614 1.00 0.00 H new ATOM 0 HA ALA A 874 -11.118 0.247 -1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -9.973 1.381 -3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -8.819 0.743 -1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -9.072 -0.115 -3.481 1.00 0.00 H new ATOM 1783 N LYS A 875 -11.427 -1.566 -4.013 1.00 0.00 N ATOM 1784 CA LYS A 875 -12.367 -1.958 -5.058 1.00 0.00 C ATOM 1785 C LYS A 875 -13.564 -2.699 -4.469 1.00 0.00 C ATOM 1786 O LYS A 875 -14.687 -2.568 -4.956 1.00 0.00 O ATOM 1787 CB LYS A 875 -11.666 -2.839 -6.094 1.00 0.00 C ATOM 1788 CG LYS A 875 -11.178 -2.073 -7.311 1.00 0.00 C ATOM 1789 CD LYS A 875 -9.753 -2.456 -7.681 1.00 0.00 C ATOM 1790 CE LYS A 875 -9.719 -3.405 -8.866 1.00 0.00 C ATOM 1791 NZ LYS A 875 -8.930 -2.853 -9.998 1.00 0.00 N ATOM 0 H LYS A 875 -10.525 -2.039 -4.059 1.00 0.00 H new ATOM 0 HA LYS A 875 -12.730 -1.052 -5.544 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -10.818 -3.335 -5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -12.353 -3.621 -6.418 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -11.839 -2.271 -8.155 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -11.227 -1.003 -7.111 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -9.184 -1.557 -7.918 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -9.268 -2.925 -6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -9.290 -4.358 -8.555 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -10.737 -3.607 -9.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -8.932 -3.532 -10.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -9.354 -1.957 -10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -7.951 -2.684 -9.689 1.00 0.00 H new ATOM 1805 N GLY A 876 -13.315 -3.469 -3.415 1.00 0.00 N ATOM 1806 CA GLY A 876 -14.367 -4.247 -2.791 1.00 0.00 C ATOM 1807 C GLY A 876 -15.352 -3.391 -2.017 1.00 0.00 C ATOM 1808 O GLY A 876 -16.563 -3.586 -2.113 1.00 0.00 O ATOM 0 H GLY A 876 -12.398 -3.568 -2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -14.903 -4.806 -3.558 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -13.921 -4.978 -2.117 1.00 0.00 H new ATOM 1812 N ALA A 877 -14.842 -2.443 -1.243 1.00 0.00 N ATOM 1813 CA ALA A 877 -15.700 -1.556 -0.468 1.00 0.00 C ATOM 1814 C ALA A 877 -16.422 -0.574 -1.382 1.00 0.00 C ATOM 1815 O ALA A 877 -17.586 -0.240 -1.157 1.00 0.00 O ATOM 1816 CB ALA A 877 -14.891 -0.811 0.581 1.00 0.00 C ATOM 0 H ALA A 877 -13.843 -2.268 -1.135 1.00 0.00 H new ATOM 0 HA ALA A 877 -16.447 -2.164 0.042 1.00 0.00 H new ATOM 0 HB1 ALA A 877 -15.549 -0.154 1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 877 -14.423 -1.527 1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 877 -14.120 -0.217 0.091 1.00 0.00 H new ATOM 1822 N ALA A 878 -15.732 -0.135 -2.427 1.00 0.00 N ATOM 1823 CA ALA A 878 -16.298 0.809 -3.382 1.00 0.00 C ATOM 1824 C ALA A 878 -17.088 0.087 -4.468 1.00 0.00 C ATOM 1825 O ALA A 878 -17.396 0.664 -5.512 1.00 0.00 O ATOM 1826 CB ALA A 878 -15.196 1.653 -4.005 1.00 0.00 C ATOM 0 H ALA A 878 -14.775 -0.419 -2.635 1.00 0.00 H new ATOM 0 HA ALA A 878 -16.984 1.463 -2.844 1.00 0.00 H new ATOM 0 HB1 ALA A 878 -15.633 2.354 -4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 878 -14.676 2.206 -3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 878 -14.489 1.004 -4.522 1.00 0.00 H new ATOM 1832 N ALA A 879 -17.410 -1.179 -4.220 1.00 0.00 N ATOM 1833 CA ALA A 879 -18.208 -1.963 -5.152 1.00 0.00 C ATOM 1834 C ALA A 879 -19.619 -1.401 -5.233 1.00 0.00 C ATOM 1835 O ALA A 879 -20.285 -1.510 -6.263 1.00 0.00 O ATOM 1836 CB ALA A 879 -18.237 -3.425 -4.741 1.00 0.00 C ATOM 0 H ALA A 879 -17.129 -1.683 -3.379 1.00 0.00 H new ATOM 0 HA ALA A 879 -17.749 -1.900 -6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -18.839 -3.991 -5.452 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -17.221 -3.820 -4.730 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -18.672 -3.515 -3.745 1.00 0.00 H new ATOM 1842 N HIS A 880 -20.065 -0.801 -4.139 1.00 0.00 N ATOM 1843 CA HIS A 880 -21.347 -0.116 -4.113 1.00 0.00 C ATOM 1844 C HIS A 880 -21.121 1.385 -4.097 1.00 0.00 C ATOM 1845 O HIS A 880 -20.774 1.951 -3.060 1.00 0.00 O ATOM 1846 CB HIS A 880 -22.170 -0.502 -2.879 1.00 0.00 C ATOM 1847 CG HIS A 880 -22.441 -1.965 -2.747 1.00 0.00 C ATOM 1848 ND1 HIS A 880 -21.807 -2.760 -1.817 1.00 0.00 N ATOM 1849 CD2 HIS A 880 -23.293 -2.775 -3.415 1.00 0.00 C ATOM 1850 CE1 HIS A 880 -22.258 -3.995 -1.919 1.00 0.00 C ATOM 1851 NE2 HIS A 880 -23.159 -4.030 -2.880 1.00 0.00 N ATOM 0 H HIS A 880 -19.556 -0.775 -3.256 1.00 0.00 H new ATOM 0 HA HIS A 880 -21.899 -0.413 -5.005 1.00 0.00 H new ATOM 0 HB2 HIS A 880 -21.645 -0.161 -1.987 1.00 0.00 H new ATOM 0 HB3 HIS A 880 -23.121 0.029 -2.912 1.00 0.00 H new ATOM 0 HD2 HIS A 880 -23.955 -2.487 -4.219 1.00 0.00 H new ATOM 0 HE1 HIS A 880 -21.943 -4.835 -1.317 1.00 0.00 H new ATOM 0 HE2 HIS A 880 -23.674 -4.858 -3.178 1.00 0.00 H new ATOM 1860 N PRO A 881 -21.289 2.056 -5.239 1.00 0.00 N ATOM 1861 CA PRO A 881 -21.224 3.509 -5.308 1.00 0.00 C ATOM 1862 C PRO A 881 -22.508 4.127 -4.777 1.00 0.00 C ATOM 1863 O PRO A 881 -23.191 4.874 -5.474 1.00 0.00 O ATOM 1864 CB PRO A 881 -21.058 3.809 -6.806 1.00 0.00 C ATOM 1865 CG PRO A 881 -20.948 2.478 -7.485 1.00 0.00 C ATOM 1866 CD PRO A 881 -21.551 1.469 -6.553 1.00 0.00 C ATOM 0 HA PRO A 881 -20.413 3.921 -4.707 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -21.910 4.372 -7.188 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -20.169 4.414 -6.987 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -21.474 2.486 -8.440 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -19.906 2.236 -7.696 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -22.618 1.337 -6.733 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -21.086 0.489 -6.660 1.00 0.00 H new ATOM 1874 N ASP A 882 -22.839 3.786 -3.540 1.00 0.00 N ATOM 1875 CA ASP A 882 -24.074 4.241 -2.920 1.00 0.00 C ATOM 1876 C ASP A 882 -23.927 5.666 -2.418 1.00 0.00 C ATOM 1877 O ASP A 882 -24.914 6.348 -2.131 1.00 0.00 O ATOM 1878 CB ASP A 882 -24.457 3.318 -1.766 1.00 0.00 C ATOM 1879 CG ASP A 882 -25.856 3.584 -1.257 1.00 0.00 C ATOM 1880 OD1 ASP A 882 -26.776 3.730 -2.089 1.00 0.00 O ATOM 1881 OD2 ASP A 882 -26.046 3.645 -0.022 1.00 0.00 O ATOM 0 H ASP A 882 -22.265 3.191 -2.943 1.00 0.00 H new ATOM 0 HA ASP A 882 -24.864 4.217 -3.671 1.00 0.00 H new ATOM 0 HB2 ASP A 882 -24.383 2.281 -2.094 1.00 0.00 H new ATOM 0 HB3 ASP A 882 -23.746 3.446 -0.950 1.00 0.00 H new ATOM 1886 N SER A 883 -22.688 6.109 -2.317 1.00 0.00 N ATOM 1887 CA SER A 883 -22.393 7.462 -1.898 1.00 0.00 C ATOM 1888 C SER A 883 -22.843 8.447 -2.967 1.00 0.00 C ATOM 1889 O SER A 883 -22.891 8.112 -4.152 1.00 0.00 O ATOM 1890 CB SER A 883 -20.900 7.591 -1.636 1.00 0.00 C ATOM 1891 OG SER A 883 -20.294 6.307 -1.578 1.00 0.00 O ATOM 0 H SER A 883 -21.864 5.544 -2.522 1.00 0.00 H new ATOM 0 HA SER A 883 -22.933 7.690 -0.979 1.00 0.00 H new ATOM 0 HB2 SER A 883 -20.436 8.184 -2.424 1.00 0.00 H new ATOM 0 HB3 SER A 883 -20.733 8.121 -0.698 1.00 0.00 H new ATOM 0 HG SER A 883 -19.432 6.373 -1.117 1.00 0.00 H new ATOM 1897 N GLU A 884 -23.160 9.661 -2.555 1.00 0.00 N ATOM 1898 CA GLU A 884 -23.725 10.648 -3.459 1.00 0.00 C ATOM 1899 C GLU A 884 -22.639 11.368 -4.255 1.00 0.00 C ATOM 1900 O GLU A 884 -22.589 12.597 -4.287 1.00 0.00 O ATOM 1901 CB GLU A 884 -24.567 11.656 -2.677 1.00 0.00 C ATOM 1902 CG GLU A 884 -25.901 11.098 -2.207 1.00 0.00 C ATOM 1903 CD GLU A 884 -25.838 10.518 -0.807 1.00 0.00 C ATOM 1904 OE1 GLU A 884 -24.811 10.711 -0.118 1.00 0.00 O ATOM 1905 OE2 GLU A 884 -26.821 9.875 -0.384 1.00 0.00 O ATOM 0 H GLU A 884 -23.036 9.989 -1.597 1.00 0.00 H new ATOM 0 HA GLU A 884 -24.363 10.124 -4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 884 -24.000 11.997 -1.811 1.00 0.00 H new ATOM 0 HB3 GLU A 884 -24.748 12.529 -3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 884 -26.650 11.890 -2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 884 -26.230 10.324 -2.901 1.00 0.00 H new ATOM 1912 N GLU A 885 -21.772 10.597 -4.900 1.00 0.00 N ATOM 1913 CA GLU A 885 -20.760 11.162 -5.780 1.00 0.00 C ATOM 1914 C GLU A 885 -21.400 11.524 -7.112 1.00 0.00 C ATOM 1915 O GLU A 885 -21.259 10.797 -8.101 1.00 0.00 O ATOM 1916 CB GLU A 885 -19.600 10.182 -5.989 1.00 0.00 C ATOM 1917 CG GLU A 885 -18.224 10.798 -5.766 1.00 0.00 C ATOM 1918 CD GLU A 885 -17.711 11.563 -6.974 1.00 0.00 C ATOM 1919 OE1 GLU A 885 -18.412 12.484 -7.444 1.00 0.00 O ATOM 1920 OE2 GLU A 885 -16.599 11.250 -7.456 1.00 0.00 O ATOM 0 H GLU A 885 -21.750 9.580 -4.829 1.00 0.00 H new ATOM 0 HA GLU A 885 -20.351 12.060 -5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 885 -19.724 9.338 -5.311 1.00 0.00 H new ATOM 0 HB3 GLU A 885 -19.650 9.786 -7.003 1.00 0.00 H new ATOM 0 HG2 GLU A 885 -18.268 11.471 -4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 885 -17.515 10.009 -5.515 1.00 0.00 H new ATOM 1927 N GLN A 886 -22.140 12.631 -7.103 1.00 0.00 N ATOM 1928 CA GLN A 886 -22.877 13.108 -8.269 1.00 0.00 C ATOM 1929 C GLN A 886 -23.864 12.054 -8.756 1.00 0.00 C ATOM 1930 O GLN A 886 -24.097 11.905 -9.958 1.00 0.00 O ATOM 1931 CB GLN A 886 -21.924 13.514 -9.394 1.00 0.00 C ATOM 1932 CG GLN A 886 -22.125 14.945 -9.860 1.00 0.00 C ATOM 1933 CD GLN A 886 -21.654 15.961 -8.838 1.00 0.00 C ATOM 1934 OE1 GLN A 886 -20.463 16.064 -8.551 1.00 0.00 O ATOM 1935 NE2 GLN A 886 -22.588 16.720 -8.280 1.00 0.00 N ATOM 0 H GLN A 886 -22.245 13.225 -6.281 1.00 0.00 H new ATOM 0 HA GLN A 886 -23.441 13.991 -7.968 1.00 0.00 H new ATOM 0 HB2 GLN A 886 -20.896 13.391 -9.053 1.00 0.00 H new ATOM 0 HB3 GLN A 886 -22.062 12.840 -10.240 1.00 0.00 H new ATOM 0 HG2 GLN A 886 -21.586 15.098 -10.795 1.00 0.00 H new ATOM 0 HG3 GLN A 886 -23.182 15.110 -10.071 1.00 0.00 H new ATOM 0 HE21 GLN A 886 -23.566 16.603 -8.546 1.00 0.00 H new ATOM 0 HE22 GLN A 886 -22.328 17.420 -7.585 1.00 0.00 H new ATOM 1944 N GLN A 887 -24.438 11.322 -7.809 1.00 0.00 N ATOM 1945 CA GLN A 887 -25.438 10.315 -8.125 1.00 0.00 C ATOM 1946 C GLN A 887 -26.785 10.986 -8.326 1.00 0.00 C ATOM 1947 O GLN A 887 -27.643 10.491 -9.057 1.00 0.00 O ATOM 1948 CB GLN A 887 -25.532 9.276 -7.010 1.00 0.00 C ATOM 1949 CG GLN A 887 -26.158 7.967 -7.455 1.00 0.00 C ATOM 1950 CD GLN A 887 -25.450 6.762 -6.875 1.00 0.00 C ATOM 1951 OE1 GLN A 887 -25.896 6.180 -5.886 1.00 0.00 O ATOM 1952 NE2 GLN A 887 -24.341 6.378 -7.484 1.00 0.00 N ATOM 0 H GLN A 887 -24.226 11.409 -6.815 1.00 0.00 H new ATOM 0 HA GLN A 887 -25.144 9.804 -9.042 1.00 0.00 H new ATOM 0 HB2 GLN A 887 -24.532 9.079 -6.623 1.00 0.00 H new ATOM 0 HB3 GLN A 887 -26.117 9.689 -6.188 1.00 0.00 H new ATOM 0 HG2 GLN A 887 -27.206 7.948 -7.155 1.00 0.00 H new ATOM 0 HG3 GLN A 887 -26.136 7.909 -8.543 1.00 0.00 H new ATOM 0 HE21 GLN A 887 -24.005 6.888 -8.301 1.00 0.00 H new ATOM 0 HE22 GLN A 887 -23.821 5.572 -7.137 1.00 0.00 H new ATOM 1961 N GLN A 888 -26.953 12.121 -7.672 1.00 0.00 N ATOM 1962 CA GLN A 888 -28.158 12.913 -7.805 1.00 0.00 C ATOM 1963 C GLN A 888 -28.020 13.859 -8.995 1.00 0.00 C ATOM 1964 O GLN A 888 -26.965 14.463 -9.201 1.00 0.00 O ATOM 1965 CB GLN A 888 -28.430 13.692 -6.511 1.00 0.00 C ATOM 1966 CG GLN A 888 -27.401 14.771 -6.203 1.00 0.00 C ATOM 1967 CD GLN A 888 -26.221 14.261 -5.396 1.00 0.00 C ATOM 1968 OE1 GLN A 888 -25.389 13.503 -5.897 1.00 0.00 O ATOM 1969 NE2 GLN A 888 -26.142 14.670 -4.142 1.00 0.00 N ATOM 0 H GLN A 888 -26.260 12.517 -7.037 1.00 0.00 H new ATOM 0 HA GLN A 888 -29.007 12.252 -7.982 1.00 0.00 H new ATOM 0 HB2 GLN A 888 -29.415 14.154 -6.579 1.00 0.00 H new ATOM 0 HB3 GLN A 888 -28.464 12.990 -5.678 1.00 0.00 H new ATOM 0 HG2 GLN A 888 -27.037 15.194 -7.139 1.00 0.00 H new ATOM 0 HG3 GLN A 888 -27.885 15.579 -5.655 1.00 0.00 H new ATOM 0 HE21 GLN A 888 -26.852 15.298 -3.765 1.00 0.00 H new ATOM 0 HE22 GLN A 888 -25.371 14.358 -3.551 1.00 0.00 H new ATOM 1978 N ARG A 889 -29.074 13.969 -9.782 1.00 0.00 N ATOM 1979 CA ARG A 889 -29.049 14.798 -10.976 1.00 0.00 C ATOM 1980 C ARG A 889 -30.353 15.564 -11.104 1.00 0.00 C ATOM 1981 O ARG A 889 -31.362 14.958 -11.521 1.00 0.00 O ATOM 1982 CB ARG A 889 -28.812 13.937 -12.221 1.00 0.00 C ATOM 1983 CG ARG A 889 -28.434 14.739 -13.456 1.00 0.00 C ATOM 1984 CD ARG A 889 -27.174 14.195 -14.109 1.00 0.00 C ATOM 1985 NE ARG A 889 -26.668 15.090 -15.148 1.00 0.00 N ATOM 1986 CZ ARG A 889 -25.939 14.696 -16.193 1.00 0.00 C ATOM 1987 NH1 ARG A 889 -25.585 13.423 -16.326 1.00 0.00 N ATOM 1988 NH2 ARG A 889 -25.554 15.580 -17.103 1.00 0.00 N ATOM 1989 OXT ARG A 889 -30.371 16.763 -10.762 1.00 0.00 O ATOM 0 H ARG A 889 -29.961 13.494 -9.617 1.00 0.00 H new ATOM 0 HA ARG A 889 -28.229 15.511 -10.890 1.00 0.00 H new ATOM 0 HB2 ARG A 889 -28.021 13.218 -12.009 1.00 0.00 H new ATOM 0 HB3 ARG A 889 -29.715 13.364 -12.433 1.00 0.00 H new ATOM 0 HG2 ARG A 889 -29.255 14.715 -14.172 1.00 0.00 H new ATOM 0 HG3 ARG A 889 -28.281 15.783 -13.181 1.00 0.00 H new ATOM 0 HD2 ARG A 889 -26.406 14.049 -13.350 1.00 0.00 H new ATOM 0 HD3 ARG A 889 -27.383 13.217 -14.543 1.00 0.00 H new ATOM 0 HE ARG A 889 -26.887 16.083 -15.068 1.00 0.00 H new ATOM 0 HH11 ARG A 889 -25.871 12.738 -15.626 1.00 0.00 H new ATOM 0 HH12 ARG A 889 -25.027 13.130 -17.128 1.00 0.00 H new ATOM 0 HH21 ARG A 889 -25.815 16.561 -17.004 1.00 0.00 H new ATOM 0 HH22 ARG A 889 -24.996 15.279 -17.902 1.00 0.00 H new TER 2003 ARG A 889