USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=26 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 788 HIS : no HD1:sc= -0.139 X(o=-0.17,f=-0.17) USER MOD Set 1.2: A 852 ASN : amide:sc= -0.0349 K(o=-0.17,f=-2.3!) USER MOD Set 2.1: A 833 THR OG1 : rot 78:sc= 0.837 USER MOD Set 2.2: A 867 THR OG1 : rot 55:sc= 0.673 USER MOD Set 3.1: A 811 ASN : amide:sc= 0.266 K(o=1.7,f=-0.096!) USER MOD Set 3.2: A 825 GLN : amide:sc= 1.39 K(o=1.7,f=-3.3!) USER MOD Single : A 752 SER OG : rot 180:sc= 0.0983 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= -0.0104 K(o=-0.01,f=-1.1) USER MOD Single : A 758 THR OG1 : rot 180:sc= 0.0753 USER MOD Single : A 762 GLN : amide:sc=-0.00129 K(o=-0.0013,f=-1.1) USER MOD Single : A 772 THR OG1 : rot 79:sc= 0.654 USER MOD Single : A 775 THR OG1 : rot 79:sc= 1.06 USER MOD Single : A 776 GLN : amide:sc= -0.427 X(o=-0.43,f=-0.54) USER MOD Single : A 779 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.6!) USER MOD Single : A 783 GLN : amide:sc= 0.505 K(o=0.51,f=-0.46) USER MOD Single : A 784 HIS : no HE2:sc= -0.876 K(o=-0.88,f=-3.3!) USER MOD Single : A 786 LYS NZ :NH3+ 131:sc= 1.13 (180deg=-0.0458!) USER MOD Single : A 790 THR OG1 : rot -65:sc= 1.29 USER MOD Single : A 798 TYR OH : rot 30:sc= -0.151 USER MOD Single : A 800 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 802 THR OG1 : rot 48:sc= 0.157 USER MOD Single : A 804 THR OG1 : rot 88:sc= 1.21 USER MOD Single : A 807 THR OG1 : rot 77:sc= 0.487 USER MOD Single : A 809 THR OG1 : rot 78:sc= 1.02 USER MOD Single : A 814 SER OG : rot 180:sc= 0.121 USER MOD Single : A 815 SER OG : rot 79:sc= 1.24 USER MOD Single : A 816 MET CE :methyl 152:sc= -0.196 (180deg=-1.05) USER MOD Single : A 822 MET CE :methyl 165:sc= -0.339 (180deg=-1.45) USER MOD Single : A 831 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 834 SER OG : rot 94:sc= 1.25 USER MOD Single : A 838 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 841 LYS NZ :NH3+ 145:sc= 1.22 (180deg=-0.344) USER MOD Single : A 848 SER OG : rot 180:sc= 0.0186 USER MOD Single : A 853 SER OG : rot 180:sc= -0.595 USER MOD Single : A 855 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 858 SER OG : rot 76:sc= 1.22 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 154:sc= -4.29! (180deg=-5.53!) USER MOD Single : A 875 LYS NZ :NH3+ -166:sc= 1.18 (180deg=1.11) USER MOD Single : A 880 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 883 SER OG : rot 24:sc= 1.25 USER MOD Single : A 886 GLN : amide:sc= 0.535 K(o=0.54,f=-6.8!) USER MOD Single : A 887 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 888 GLN : amide:sc= 1.16 K(o=1.2,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 751 -25.498 -2.477 18.232 1.00 0.00 N ATOM 2 CA GLY A 751 -26.182 -1.822 17.093 1.00 0.00 C ATOM 3 C GLY A 751 -25.213 -1.055 16.221 1.00 0.00 C ATOM 4 O GLY A 751 -24.119 -0.704 16.663 1.00 0.00 O ATOM 0 HA2 GLY A 751 -26.692 -2.576 16.493 1.00 0.00 H new ATOM 0 HA3 GLY A 751 -26.947 -1.143 17.470 1.00 0.00 H new ATOM 10 N SER A 752 -25.615 -0.777 14.991 1.00 0.00 N ATOM 11 CA SER A 752 -24.763 -0.071 14.045 1.00 0.00 C ATOM 12 C SER A 752 -24.597 1.395 14.444 1.00 0.00 C ATOM 13 O SER A 752 -23.696 2.085 13.967 1.00 0.00 O ATOM 14 CB SER A 752 -25.366 -0.185 12.646 1.00 0.00 C ATOM 15 OG SER A 752 -26.463 -1.089 12.650 1.00 0.00 O ATOM 0 H SER A 752 -26.531 -1.031 14.622 1.00 0.00 H new ATOM 0 HA SER A 752 -23.772 -0.525 14.051 1.00 0.00 H new ATOM 0 HB2 SER A 752 -25.697 0.796 12.305 1.00 0.00 H new ATOM 0 HB3 SER A 752 -24.607 -0.528 11.943 1.00 0.00 H new ATOM 0 HG SER A 752 -26.840 -1.150 11.747 1.00 0.00 H new ATOM 21 N HIS A 753 -25.464 1.866 15.333 1.00 0.00 N ATOM 22 CA HIS A 753 -25.394 3.240 15.811 1.00 0.00 C ATOM 23 C HIS A 753 -24.743 3.311 17.191 1.00 0.00 C ATOM 24 O HIS A 753 -24.896 4.302 17.906 1.00 0.00 O ATOM 25 CB HIS A 753 -26.788 3.868 15.860 1.00 0.00 C ATOM 26 CG HIS A 753 -26.784 5.339 15.575 1.00 0.00 C ATOM 27 ND1 HIS A 753 -26.874 6.302 16.557 1.00 0.00 N ATOM 28 CD2 HIS A 753 -26.685 6.008 14.404 1.00 0.00 C ATOM 29 CE1 HIS A 753 -26.834 7.498 16.000 1.00 0.00 C ATOM 30 NE2 HIS A 753 -26.718 7.348 14.694 1.00 0.00 N ATOM 0 H HIS A 753 -26.223 1.316 15.737 1.00 0.00 H new ATOM 0 HA HIS A 753 -24.778 3.802 15.109 1.00 0.00 H new ATOM 0 HB2 HIS A 753 -27.431 3.366 15.137 1.00 0.00 H new ATOM 0 HB3 HIS A 753 -27.222 3.697 16.845 1.00 0.00 H new ATOM 0 HD2 HIS A 753 -26.596 5.568 13.422 1.00 0.00 H new ATOM 0 HE1 HIS A 753 -26.887 8.441 16.525 1.00 0.00 H new ATOM 0 HE2 HIS A 753 -26.662 8.105 14.012 1.00 0.00 H new ATOM 39 N MET A 754 -24.026 2.257 17.566 1.00 0.00 N ATOM 40 CA MET A 754 -23.307 2.241 18.838 1.00 0.00 C ATOM 41 C MET A 754 -22.155 3.239 18.798 1.00 0.00 C ATOM 42 O MET A 754 -21.916 3.973 19.757 1.00 0.00 O ATOM 43 CB MET A 754 -22.774 0.838 19.142 1.00 0.00 C ATOM 44 CG MET A 754 -22.108 0.719 20.505 1.00 0.00 C ATOM 45 SD MET A 754 -20.539 -0.170 20.437 1.00 0.00 S ATOM 46 CE MET A 754 -19.974 0.024 22.127 1.00 0.00 C ATOM 0 H MET A 754 -23.926 1.406 17.012 1.00 0.00 H new ATOM 0 HA MET A 754 -24.000 2.525 19.630 1.00 0.00 H new ATOM 0 HB2 MET A 754 -23.598 0.126 19.086 1.00 0.00 H new ATOM 0 HB3 MET A 754 -22.057 0.556 18.371 1.00 0.00 H new ATOM 0 HG2 MET A 754 -21.939 1.716 20.911 1.00 0.00 H new ATOM 0 HG3 MET A 754 -22.782 0.206 21.191 1.00 0.00 H new ATOM 0 HE1 MET A 754 -19.011 -0.473 22.248 1.00 0.00 H new ATOM 0 HE2 MET A 754 -19.867 1.084 22.355 1.00 0.00 H new ATOM 0 HE3 MET A 754 -20.700 -0.422 22.807 1.00 0.00 H new ATOM 56 N GLN A 755 -21.453 3.260 17.675 1.00 0.00 N ATOM 57 CA GLN A 755 -20.363 4.197 17.463 1.00 0.00 C ATOM 58 C GLN A 755 -20.302 4.588 15.994 1.00 0.00 C ATOM 59 O GLN A 755 -20.262 3.724 15.116 1.00 0.00 O ATOM 60 CB GLN A 755 -19.031 3.580 17.898 1.00 0.00 C ATOM 61 CG GLN A 755 -18.208 4.487 18.800 1.00 0.00 C ATOM 62 CD GLN A 755 -17.057 5.150 18.068 1.00 0.00 C ATOM 63 OE1 GLN A 755 -17.152 5.457 16.881 1.00 0.00 O ATOM 64 NE2 GLN A 755 -15.959 5.378 18.773 1.00 0.00 N ATOM 0 H GLN A 755 -21.622 2.631 16.890 1.00 0.00 H new ATOM 0 HA GLN A 755 -20.543 5.087 18.066 1.00 0.00 H new ATOM 0 HB2 GLN A 755 -19.227 2.643 18.419 1.00 0.00 H new ATOM 0 HB3 GLN A 755 -18.446 3.335 17.011 1.00 0.00 H new ATOM 0 HG2 GLN A 755 -18.855 5.255 19.224 1.00 0.00 H new ATOM 0 HG3 GLN A 755 -17.816 3.905 19.634 1.00 0.00 H new ATOM 0 HE21 GLN A 755 -15.919 5.109 19.756 1.00 0.00 H new ATOM 0 HE22 GLN A 755 -15.154 5.823 18.333 1.00 0.00 H new ATOM 73 N ALA A 756 -20.322 5.887 15.730 1.00 0.00 N ATOM 74 CA ALA A 756 -20.270 6.393 14.365 1.00 0.00 C ATOM 75 C ALA A 756 -18.869 6.248 13.781 1.00 0.00 C ATOM 76 O ALA A 756 -18.088 7.206 13.760 1.00 0.00 O ATOM 77 CB ALA A 756 -20.720 7.845 14.319 1.00 0.00 C ATOM 0 H ALA A 756 -20.374 6.612 16.446 1.00 0.00 H new ATOM 0 HA ALA A 756 -20.952 5.798 13.757 1.00 0.00 H new ATOM 0 HB1 ALA A 756 -20.675 8.207 13.292 1.00 0.00 H new ATOM 0 HB2 ALA A 756 -21.744 7.921 14.686 1.00 0.00 H new ATOM 0 HB3 ALA A 756 -20.064 8.449 14.946 1.00 0.00 H new ATOM 83 N ALA A 757 -18.562 5.037 13.326 1.00 0.00 N ATOM 84 CA ALA A 757 -17.275 4.732 12.716 1.00 0.00 C ATOM 85 C ALA A 757 -17.294 3.341 12.084 1.00 0.00 C ATOM 86 O ALA A 757 -17.938 3.120 11.060 1.00 0.00 O ATOM 87 CB ALA A 757 -16.153 4.835 13.742 1.00 0.00 C ATOM 0 H ALA A 757 -19.199 4.241 13.370 1.00 0.00 H new ATOM 0 HA ALA A 757 -17.090 5.465 11.931 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -15.201 4.603 13.265 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -16.120 5.847 14.145 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -16.334 4.128 14.552 1.00 0.00 H new ATOM 93 N THR A 758 -16.606 2.400 12.717 1.00 0.00 N ATOM 94 CA THR A 758 -16.442 1.061 12.173 1.00 0.00 C ATOM 95 C THR A 758 -17.557 0.111 12.603 1.00 0.00 C ATOM 96 O THR A 758 -17.504 -1.083 12.306 1.00 0.00 O ATOM 97 CB THR A 758 -15.095 0.479 12.621 1.00 0.00 C ATOM 98 OG1 THR A 758 -14.404 1.441 13.430 1.00 0.00 O ATOM 99 CG2 THR A 758 -14.236 0.097 11.425 1.00 0.00 C ATOM 0 H THR A 758 -16.149 2.543 13.617 1.00 0.00 H new ATOM 0 HA THR A 758 -16.482 1.154 11.088 1.00 0.00 H new ATOM 0 HB THR A 758 -15.285 -0.423 13.202 1.00 0.00 H new ATOM 0 HG1 THR A 758 -13.544 1.069 13.718 1.00 0.00 H new ATOM 0 HG21 THR A 758 -13.288 -0.312 11.774 1.00 0.00 H new ATOM 0 HG22 THR A 758 -14.756 -0.651 10.827 1.00 0.00 H new ATOM 0 HG23 THR A 758 -14.047 0.981 10.816 1.00 0.00 H new ATOM 107 N GLU A 759 -18.560 0.624 13.307 1.00 0.00 N ATOM 108 CA GLU A 759 -19.660 -0.216 13.773 1.00 0.00 C ATOM 109 C GLU A 759 -20.508 -0.683 12.595 1.00 0.00 C ATOM 110 O GLU A 759 -21.344 0.066 12.082 1.00 0.00 O ATOM 111 CB GLU A 759 -20.526 0.527 14.791 1.00 0.00 C ATOM 112 CG GLU A 759 -20.302 0.077 16.229 1.00 0.00 C ATOM 113 CD GLU A 759 -20.214 -1.433 16.374 1.00 0.00 C ATOM 114 OE1 GLU A 759 -19.113 -1.993 16.187 1.00 0.00 O ATOM 115 OE2 GLU A 759 -21.242 -2.070 16.682 1.00 0.00 O ATOM 0 H GLU A 759 -18.635 1.608 13.566 1.00 0.00 H new ATOM 0 HA GLU A 759 -19.233 -1.089 14.266 1.00 0.00 H new ATOM 0 HB2 GLU A 759 -20.322 1.595 14.718 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -21.576 0.385 14.534 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -19.383 0.526 16.605 1.00 0.00 H new ATOM 0 HG3 GLU A 759 -21.116 0.449 16.851 1.00 0.00 H new ATOM 122 N ASP A 760 -20.263 -1.924 12.175 1.00 0.00 N ATOM 123 CA ASP A 760 -20.919 -2.525 11.013 1.00 0.00 C ATOM 124 C ASP A 760 -20.598 -1.755 9.738 1.00 0.00 C ATOM 125 O ASP A 760 -21.360 -1.780 8.771 1.00 0.00 O ATOM 126 CB ASP A 760 -22.433 -2.627 11.213 1.00 0.00 C ATOM 127 CG ASP A 760 -22.918 -4.059 11.127 1.00 0.00 C ATOM 128 OD1 ASP A 760 -22.102 -4.981 11.344 1.00 0.00 O ATOM 129 OD2 ASP A 760 -24.117 -4.274 10.854 1.00 0.00 O ATOM 0 H ASP A 760 -19.598 -2.546 12.635 1.00 0.00 H new ATOM 0 HA ASP A 760 -20.526 -3.536 10.908 1.00 0.00 H new ATOM 0 HB2 ASP A 760 -22.700 -2.211 12.184 1.00 0.00 H new ATOM 0 HB3 ASP A 760 -22.940 -2.026 10.459 1.00 0.00 H new ATOM 134 N GLY A 761 -19.454 -1.085 9.741 1.00 0.00 N ATOM 135 CA GLY A 761 -19.021 -0.339 8.579 1.00 0.00 C ATOM 136 C GLY A 761 -17.875 -1.030 7.873 1.00 0.00 C ATOM 137 O GLY A 761 -16.764 -1.091 8.399 1.00 0.00 O ATOM 0 H GLY A 761 -18.814 -1.046 10.535 1.00 0.00 H new ATOM 0 HA2 GLY A 761 -19.857 -0.220 7.889 1.00 0.00 H new ATOM 0 HA3 GLY A 761 -18.713 0.662 8.882 1.00 0.00 H new ATOM 141 N GLN A 762 -18.145 -1.558 6.687 1.00 0.00 N ATOM 142 CA GLN A 762 -17.154 -2.334 5.951 1.00 0.00 C ATOM 143 C GLN A 762 -16.093 -1.438 5.323 1.00 0.00 C ATOM 144 O GLN A 762 -14.952 -1.859 5.141 1.00 0.00 O ATOM 145 CB GLN A 762 -17.831 -3.174 4.869 1.00 0.00 C ATOM 146 CG GLN A 762 -18.035 -4.625 5.271 1.00 0.00 C ATOM 147 CD GLN A 762 -16.771 -5.454 5.143 1.00 0.00 C ATOM 148 OE1 GLN A 762 -15.835 -5.309 5.929 1.00 0.00 O ATOM 149 NE2 GLN A 762 -16.736 -6.329 4.150 1.00 0.00 N ATOM 0 H GLN A 762 -19.043 -1.463 6.213 1.00 0.00 H new ATOM 0 HA GLN A 762 -16.660 -2.994 6.664 1.00 0.00 H new ATOM 0 HB2 GLN A 762 -18.798 -2.732 4.628 1.00 0.00 H new ATOM 0 HB3 GLN A 762 -17.229 -3.137 3.961 1.00 0.00 H new ATOM 0 HG2 GLN A 762 -18.388 -4.666 6.302 1.00 0.00 H new ATOM 0 HG3 GLN A 762 -18.816 -5.063 4.649 1.00 0.00 H new ATOM 0 HE21 GLN A 762 -17.534 -6.418 3.520 1.00 0.00 H new ATOM 0 HE22 GLN A 762 -15.912 -6.914 4.015 1.00 0.00 H new ATOM 158 N LEU A 763 -16.464 -0.203 5.005 1.00 0.00 N ATOM 159 CA LEU A 763 -15.538 0.730 4.371 1.00 0.00 C ATOM 160 C LEU A 763 -14.375 1.045 5.302 1.00 0.00 C ATOM 161 O LEU A 763 -13.212 0.871 4.941 1.00 0.00 O ATOM 162 CB LEU A 763 -16.257 2.024 3.977 1.00 0.00 C ATOM 163 CG LEU A 763 -16.432 2.248 2.472 1.00 0.00 C ATOM 164 CD1 LEU A 763 -15.149 2.780 1.856 1.00 0.00 C ATOM 165 CD2 LEU A 763 -16.869 0.963 1.782 1.00 0.00 C ATOM 0 H LEU A 763 -17.396 0.175 5.175 1.00 0.00 H new ATOM 0 HA LEU A 763 -15.149 0.258 3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 763 -17.242 2.029 4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 763 -15.704 2.867 4.390 1.00 0.00 H new ATOM 0 HG LEU A 763 -17.214 2.993 2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 763 -15.295 2.932 0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 763 -14.886 3.728 2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 763 -14.344 2.062 2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 763 -16.987 1.146 0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 763 -16.114 0.192 1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 763 -17.819 0.630 2.200 1.00 0.00 H new ATOM 177 N LEU A 764 -14.694 1.483 6.511 1.00 0.00 N ATOM 178 CA LEU A 764 -13.671 1.817 7.490 1.00 0.00 C ATOM 179 C LEU A 764 -12.968 0.558 7.990 1.00 0.00 C ATOM 180 O LEU A 764 -11.886 0.627 8.572 1.00 0.00 O ATOM 181 CB LEU A 764 -14.288 2.578 8.666 1.00 0.00 C ATOM 182 CG LEU A 764 -13.681 3.956 8.940 1.00 0.00 C ATOM 183 CD1 LEU A 764 -14.772 5.012 9.011 1.00 0.00 C ATOM 184 CD2 LEU A 764 -12.873 3.934 10.229 1.00 0.00 C ATOM 0 H LEU A 764 -15.651 1.615 6.837 1.00 0.00 H new ATOM 0 HA LEU A 764 -12.932 2.455 7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 764 -15.355 2.699 8.480 1.00 0.00 H new ATOM 0 HB3 LEU A 764 -14.188 1.969 9.565 1.00 0.00 H new ATOM 0 HG LEU A 764 -13.011 4.209 8.119 1.00 0.00 H new ATOM 0 HD11 LEU A 764 -14.323 5.986 9.206 1.00 0.00 H new ATOM 0 HD12 LEU A 764 -15.310 5.044 8.063 1.00 0.00 H new ATOM 0 HD13 LEU A 764 -15.466 4.765 9.814 1.00 0.00 H new ATOM 0 HD21 LEU A 764 -12.448 4.922 10.409 1.00 0.00 H new ATOM 0 HD22 LEU A 764 -13.522 3.661 11.061 1.00 0.00 H new ATOM 0 HD23 LEU A 764 -12.069 3.204 10.142 1.00 0.00 H new ATOM 196 N ARG A 765 -13.587 -0.591 7.760 1.00 0.00 N ATOM 197 CA ARG A 765 -13.008 -1.860 8.171 1.00 0.00 C ATOM 198 C ARG A 765 -11.987 -2.348 7.148 1.00 0.00 C ATOM 199 O ARG A 765 -10.790 -2.389 7.430 1.00 0.00 O ATOM 200 CB ARG A 765 -14.103 -2.912 8.370 1.00 0.00 C ATOM 201 CG ARG A 765 -13.572 -4.284 8.764 1.00 0.00 C ATOM 202 CD ARG A 765 -13.296 -4.369 10.257 1.00 0.00 C ATOM 203 NE ARG A 765 -12.161 -3.535 10.657 1.00 0.00 N ATOM 204 CZ ARG A 765 -11.024 -4.010 11.161 1.00 0.00 C ATOM 205 NH1 ARG A 765 -10.865 -5.312 11.357 1.00 0.00 N ATOM 206 NH2 ARG A 765 -10.044 -3.172 11.471 1.00 0.00 N ATOM 0 H ARG A 765 -14.489 -0.670 7.291 1.00 0.00 H new ATOM 0 HA ARG A 765 -12.496 -1.705 9.121 1.00 0.00 H new ATOM 0 HB2 ARG A 765 -14.792 -2.565 9.140 1.00 0.00 H new ATOM 0 HB3 ARG A 765 -14.676 -3.006 7.448 1.00 0.00 H new ATOM 0 HG2 ARG A 765 -14.295 -5.049 8.483 1.00 0.00 H new ATOM 0 HG3 ARG A 765 -12.656 -4.493 8.211 1.00 0.00 H new ATOM 0 HD2 ARG A 765 -14.184 -4.059 10.807 1.00 0.00 H new ATOM 0 HD3 ARG A 765 -13.097 -5.405 10.530 1.00 0.00 H new ATOM 0 HE ARG A 765 -12.247 -2.525 10.542 1.00 0.00 H new ATOM 0 HH11 ARG A 765 -11.618 -5.959 11.121 1.00 0.00 H new ATOM 0 HH12 ARG A 765 -9.990 -5.666 11.744 1.00 0.00 H new ATOM 0 HH21 ARG A 765 -10.164 -2.170 11.323 1.00 0.00 H new ATOM 0 HH22 ARG A 765 -9.170 -3.530 11.858 1.00 0.00 H new ATOM 220 N GLY A 766 -12.465 -2.688 5.955 1.00 0.00 N ATOM 221 CA GLY A 766 -11.604 -3.260 4.938 1.00 0.00 C ATOM 222 C GLY A 766 -10.556 -2.287 4.450 1.00 0.00 C ATOM 223 O GLY A 766 -9.359 -2.576 4.507 1.00 0.00 O ATOM 0 H GLY A 766 -13.439 -2.576 5.674 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -11.113 -4.146 5.340 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -12.212 -3.587 4.094 1.00 0.00 H new ATOM 227 N VAL A 767 -11.003 -1.131 3.980 1.00 0.00 N ATOM 228 CA VAL A 767 -10.095 -0.119 3.458 1.00 0.00 C ATOM 229 C VAL A 767 -9.231 0.452 4.571 1.00 0.00 C ATOM 230 O VAL A 767 -8.044 0.695 4.381 1.00 0.00 O ATOM 231 CB VAL A 767 -10.849 1.037 2.767 1.00 0.00 C ATOM 232 CG1 VAL A 767 -9.926 1.789 1.821 1.00 0.00 C ATOM 233 CG2 VAL A 767 -12.071 0.519 2.025 1.00 0.00 C ATOM 0 H VAL A 767 -11.989 -0.870 3.949 1.00 0.00 H new ATOM 0 HA VAL A 767 -9.468 -0.615 2.717 1.00 0.00 H new ATOM 0 HB VAL A 767 -11.188 1.729 3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 767 -10.476 2.600 1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 767 -9.087 2.201 2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 767 -9.552 1.106 1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 767 -12.586 1.352 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 767 -11.759 -0.199 1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 767 -12.745 0.032 2.730 1.00 0.00 H new ATOM 243 N GLY A 768 -9.835 0.649 5.739 1.00 0.00 N ATOM 244 CA GLY A 768 -9.111 1.200 6.868 1.00 0.00 C ATOM 245 C GLY A 768 -7.936 0.336 7.281 1.00 0.00 C ATOM 246 O GLY A 768 -6.805 0.815 7.359 1.00 0.00 O ATOM 0 H GLY A 768 -10.815 0.436 5.923 1.00 0.00 H new ATOM 0 HA2 GLY A 768 -8.753 2.198 6.614 1.00 0.00 H new ATOM 0 HA3 GLY A 768 -9.791 1.311 7.713 1.00 0.00 H new ATOM 250 N ALA A 769 -8.202 -0.942 7.523 1.00 0.00 N ATOM 251 CA ALA A 769 -7.162 -1.877 7.939 1.00 0.00 C ATOM 252 C ALA A 769 -6.078 -1.998 6.874 1.00 0.00 C ATOM 253 O ALA A 769 -4.885 -1.998 7.184 1.00 0.00 O ATOM 254 CB ALA A 769 -7.766 -3.240 8.237 1.00 0.00 C ATOM 0 H ALA A 769 -9.130 -1.356 7.438 1.00 0.00 H new ATOM 0 HA ALA A 769 -6.702 -1.490 8.848 1.00 0.00 H new ATOM 0 HB1 ALA A 769 -6.978 -3.927 8.546 1.00 0.00 H new ATOM 0 HB2 ALA A 769 -8.500 -3.146 9.037 1.00 0.00 H new ATOM 0 HB3 ALA A 769 -8.253 -3.626 7.341 1.00 0.00 H new ATOM 260 N ALA A 770 -6.501 -2.077 5.619 1.00 0.00 N ATOM 261 CA ALA A 770 -5.578 -2.232 4.507 1.00 0.00 C ATOM 262 C ALA A 770 -4.698 -0.996 4.341 1.00 0.00 C ATOM 263 O ALA A 770 -3.482 -1.103 4.168 1.00 0.00 O ATOM 264 CB ALA A 770 -6.348 -2.512 3.227 1.00 0.00 C ATOM 0 H ALA A 770 -7.483 -2.036 5.347 1.00 0.00 H new ATOM 0 HA ALA A 770 -4.925 -3.078 4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 770 -5.648 -2.627 2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 770 -6.926 -3.429 3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 770 -7.023 -1.682 3.019 1.00 0.00 H new ATOM 270 N ALA A 771 -5.321 0.178 4.407 1.00 0.00 N ATOM 271 CA ALA A 771 -4.610 1.438 4.238 1.00 0.00 C ATOM 272 C ALA A 771 -3.588 1.644 5.353 1.00 0.00 C ATOM 273 O ALA A 771 -2.442 2.027 5.102 1.00 0.00 O ATOM 274 CB ALA A 771 -5.595 2.597 4.193 1.00 0.00 C ATOM 0 H ALA A 771 -6.321 0.281 4.577 1.00 0.00 H new ATOM 0 HA ALA A 771 -4.070 1.401 3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 771 -5.050 3.533 4.066 1.00 0.00 H new ATOM 0 HB2 ALA A 771 -6.280 2.460 3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 771 -6.161 2.630 5.124 1.00 0.00 H new ATOM 280 N THR A 772 -4.005 1.377 6.585 1.00 0.00 N ATOM 281 CA THR A 772 -3.118 1.481 7.733 1.00 0.00 C ATOM 282 C THR A 772 -1.942 0.506 7.609 1.00 0.00 C ATOM 283 O THR A 772 -0.810 0.838 7.965 1.00 0.00 O ATOM 284 CB THR A 772 -3.890 1.221 9.046 1.00 0.00 C ATOM 285 OG1 THR A 772 -4.972 2.153 9.163 1.00 0.00 O ATOM 286 CG2 THR A 772 -2.981 1.349 10.260 1.00 0.00 C ATOM 0 H THR A 772 -4.956 1.086 6.813 1.00 0.00 H new ATOM 0 HA THR A 772 -2.721 2.496 7.757 1.00 0.00 H new ATOM 0 HB THR A 772 -4.276 0.202 9.013 1.00 0.00 H new ATOM 0 HG1 THR A 772 -5.718 1.860 8.599 1.00 0.00 H new ATOM 0 HG21 THR A 772 -3.556 1.160 11.167 1.00 0.00 H new ATOM 0 HG22 THR A 772 -2.171 0.623 10.186 1.00 0.00 H new ATOM 0 HG23 THR A 772 -2.564 2.355 10.298 1.00 0.00 H new ATOM 294 N ALA A 773 -2.211 -0.683 7.076 1.00 0.00 N ATOM 295 CA ALA A 773 -1.177 -1.697 6.892 1.00 0.00 C ATOM 296 C ALA A 773 -0.072 -1.205 5.959 1.00 0.00 C ATOM 297 O ALA A 773 1.115 -1.385 6.240 1.00 0.00 O ATOM 298 CB ALA A 773 -1.784 -2.984 6.354 1.00 0.00 C ATOM 0 H ALA A 773 -3.139 -0.968 6.763 1.00 0.00 H new ATOM 0 HA ALA A 773 -0.731 -1.895 7.866 1.00 0.00 H new ATOM 0 HB1 ALA A 773 -0.999 -3.729 6.223 1.00 0.00 H new ATOM 0 HB2 ALA A 773 -2.526 -3.359 7.059 1.00 0.00 H new ATOM 0 HB3 ALA A 773 -2.262 -2.787 5.394 1.00 0.00 H new ATOM 304 N VAL A 774 -0.468 -0.582 4.852 1.00 0.00 N ATOM 305 CA VAL A 774 0.492 -0.033 3.897 1.00 0.00 C ATOM 306 C VAL A 774 1.284 1.102 4.531 1.00 0.00 C ATOM 307 O VAL A 774 2.505 1.174 4.396 1.00 0.00 O ATOM 308 CB VAL A 774 -0.207 0.487 2.624 1.00 0.00 C ATOM 309 CG1 VAL A 774 0.807 1.034 1.630 1.00 0.00 C ATOM 310 CG2 VAL A 774 -1.033 -0.612 1.988 1.00 0.00 C ATOM 0 H VAL A 774 -1.445 -0.445 4.594 1.00 0.00 H new ATOM 0 HA VAL A 774 1.167 -0.842 3.617 1.00 0.00 H new ATOM 0 HB VAL A 774 -0.872 1.301 2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 774 0.288 1.394 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 774 1.357 1.856 2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 774 1.503 0.244 1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 774 -1.520 -0.229 1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 774 -0.384 -1.446 1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 774 -1.790 -0.953 2.694 1.00 0.00 H new ATOM 320 N THR A 775 0.577 1.978 5.229 1.00 0.00 N ATOM 321 CA THR A 775 1.201 3.094 5.921 1.00 0.00 C ATOM 322 C THR A 775 2.259 2.602 6.913 1.00 0.00 C ATOM 323 O THR A 775 3.354 3.164 7.002 1.00 0.00 O ATOM 324 CB THR A 775 0.138 3.935 6.653 1.00 0.00 C ATOM 325 OG1 THR A 775 -0.941 4.236 5.754 1.00 0.00 O ATOM 326 CG2 THR A 775 0.730 5.229 7.188 1.00 0.00 C ATOM 0 H THR A 775 -0.437 1.936 5.331 1.00 0.00 H new ATOM 0 HA THR A 775 1.694 3.719 5.176 1.00 0.00 H new ATOM 0 HB THR A 775 -0.232 3.354 7.498 1.00 0.00 H new ATOM 0 HG1 THR A 775 -1.532 3.458 5.680 1.00 0.00 H new ATOM 0 HG21 THR A 775 -0.045 5.800 7.699 1.00 0.00 H new ATOM 0 HG22 THR A 775 1.533 4.999 7.888 1.00 0.00 H new ATOM 0 HG23 THR A 775 1.127 5.817 6.361 1.00 0.00 H new ATOM 334 N GLN A 776 1.934 1.535 7.636 1.00 0.00 N ATOM 335 CA GLN A 776 2.862 0.936 8.584 1.00 0.00 C ATOM 336 C GLN A 776 4.084 0.371 7.863 1.00 0.00 C ATOM 337 O GLN A 776 5.221 0.591 8.282 1.00 0.00 O ATOM 338 CB GLN A 776 2.165 -0.170 9.375 1.00 0.00 C ATOM 339 CG GLN A 776 1.446 0.328 10.619 1.00 0.00 C ATOM 340 CD GLN A 776 0.440 -0.675 11.151 1.00 0.00 C ATOM 341 OE1 GLN A 776 0.540 -1.875 10.891 1.00 0.00 O ATOM 342 NE2 GLN A 776 -0.538 -0.195 11.902 1.00 0.00 N ATOM 0 H GLN A 776 1.030 1.067 7.581 1.00 0.00 H new ATOM 0 HA GLN A 776 3.196 1.712 9.273 1.00 0.00 H new ATOM 0 HB2 GLN A 776 1.446 -0.670 8.726 1.00 0.00 H new ATOM 0 HB3 GLN A 776 2.904 -0.916 9.667 1.00 0.00 H new ATOM 0 HG2 GLN A 776 2.179 0.548 11.395 1.00 0.00 H new ATOM 0 HG3 GLN A 776 0.935 1.263 10.389 1.00 0.00 H new ATOM 0 HE21 GLN A 776 -0.588 0.805 12.096 1.00 0.00 H new ATOM 0 HE22 GLN A 776 -1.242 -0.825 12.287 1.00 0.00 H new ATOM 351 N ALA A 777 3.837 -0.343 6.767 1.00 0.00 N ATOM 352 CA ALA A 777 4.909 -0.943 5.978 1.00 0.00 C ATOM 353 C ALA A 777 5.848 0.126 5.423 1.00 0.00 C ATOM 354 O ALA A 777 7.071 -0.036 5.439 1.00 0.00 O ATOM 355 CB ALA A 777 4.327 -1.782 4.848 1.00 0.00 C ATOM 0 H ALA A 777 2.900 -0.520 6.405 1.00 0.00 H new ATOM 0 HA ALA A 777 5.490 -1.592 6.633 1.00 0.00 H new ATOM 0 HB1 ALA A 777 5.137 -2.223 4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 777 3.706 -2.575 5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 777 3.720 -1.149 4.200 1.00 0.00 H new ATOM 361 N LEU A 778 5.267 1.219 4.943 1.00 0.00 N ATOM 362 CA LEU A 778 6.042 2.327 4.398 1.00 0.00 C ATOM 363 C LEU A 778 6.944 2.936 5.460 1.00 0.00 C ATOM 364 O LEU A 778 8.122 3.194 5.212 1.00 0.00 O ATOM 365 CB LEU A 778 5.115 3.402 3.838 1.00 0.00 C ATOM 366 CG LEU A 778 5.774 4.356 2.847 1.00 0.00 C ATOM 367 CD1 LEU A 778 5.235 4.116 1.451 1.00 0.00 C ATOM 368 CD2 LEU A 778 5.564 5.804 3.268 1.00 0.00 C ATOM 0 H LEU A 778 4.257 1.362 4.920 1.00 0.00 H new ATOM 0 HA LEU A 778 6.664 1.934 3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 778 4.271 2.916 3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 778 4.711 3.983 4.667 1.00 0.00 H new ATOM 0 HG LEU A 778 6.847 4.162 2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 778 5.713 4.803 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 778 5.446 3.089 1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 778 4.158 4.282 1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 778 6.043 6.466 2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 778 4.496 6.021 3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 778 6.002 5.964 4.253 1.00 0.00 H new ATOM 380 N ASN A 779 6.382 3.158 6.642 1.00 0.00 N ATOM 381 CA ASN A 779 7.126 3.739 7.755 1.00 0.00 C ATOM 382 C ASN A 779 8.331 2.877 8.101 1.00 0.00 C ATOM 383 O ASN A 779 9.405 3.389 8.422 1.00 0.00 O ATOM 384 CB ASN A 779 6.226 3.883 8.982 1.00 0.00 C ATOM 385 CG ASN A 779 5.494 5.210 9.020 1.00 0.00 C ATOM 386 OD1 ASN A 779 5.986 6.223 8.523 1.00 0.00 O ATOM 387 ND2 ASN A 779 4.316 5.215 9.624 1.00 0.00 N ATOM 0 H ASN A 779 5.408 2.943 6.856 1.00 0.00 H new ATOM 0 HA ASN A 779 7.474 4.726 7.452 1.00 0.00 H new ATOM 0 HB2 ASN A 779 5.498 3.071 8.991 1.00 0.00 H new ATOM 0 HB3 ASN A 779 6.829 3.780 9.884 1.00 0.00 H new ATOM 0 HD21 ASN A 779 3.781 6.081 9.690 1.00 0.00 H new ATOM 0 HD22 ASN A 779 3.944 4.353 10.023 1.00 0.00 H new ATOM 394 N GLU A 780 8.143 1.566 8.017 1.00 0.00 N ATOM 395 CA GLU A 780 9.206 0.613 8.292 1.00 0.00 C ATOM 396 C GLU A 780 10.333 0.753 7.281 1.00 0.00 C ATOM 397 O GLU A 780 11.495 0.931 7.650 1.00 0.00 O ATOM 398 CB GLU A 780 8.661 -0.814 8.237 1.00 0.00 C ATOM 399 CG GLU A 780 7.826 -1.195 9.443 1.00 0.00 C ATOM 400 CD GLU A 780 8.674 -1.520 10.651 1.00 0.00 C ATOM 401 OE1 GLU A 780 9.782 -2.074 10.475 1.00 0.00 O ATOM 402 OE2 GLU A 780 8.234 -1.234 11.783 1.00 0.00 O ATOM 0 H GLU A 780 7.254 1.137 7.758 1.00 0.00 H new ATOM 0 HA GLU A 780 9.594 0.821 9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 780 8.057 -0.928 7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 780 9.496 -1.509 8.150 1.00 0.00 H new ATOM 0 HG2 GLU A 780 7.150 -0.376 9.687 1.00 0.00 H new ATOM 0 HG3 GLU A 780 7.206 -2.057 9.195 1.00 0.00 H new ATOM 409 N LEU A 781 9.975 0.671 6.006 1.00 0.00 N ATOM 410 CA LEU A 781 10.949 0.722 4.923 1.00 0.00 C ATOM 411 C LEU A 781 11.654 2.071 4.881 1.00 0.00 C ATOM 412 O LEU A 781 12.863 2.130 4.683 1.00 0.00 O ATOM 413 CB LEU A 781 10.264 0.453 3.585 1.00 0.00 C ATOM 414 CG LEU A 781 11.213 0.218 2.412 1.00 0.00 C ATOM 415 CD1 LEU A 781 11.210 -1.247 2.009 1.00 0.00 C ATOM 416 CD2 LEU A 781 10.825 1.099 1.237 1.00 0.00 C ATOM 0 H LEU A 781 9.009 0.568 5.695 1.00 0.00 H new ATOM 0 HA LEU A 781 11.697 -0.050 5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 781 9.620 -0.420 3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 781 9.619 1.299 3.347 1.00 0.00 H new ATOM 0 HG LEU A 781 12.224 0.483 2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 781 11.892 -1.395 1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 781 11.533 -1.857 2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 781 10.203 -1.541 1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 781 11.510 0.922 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 781 9.808 0.862 0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 781 10.879 2.146 1.534 1.00 0.00 H new ATOM 428 N LEU A 782 10.899 3.149 5.073 1.00 0.00 N ATOM 429 CA LEU A 782 11.469 4.493 5.068 1.00 0.00 C ATOM 430 C LEU A 782 12.572 4.610 6.114 1.00 0.00 C ATOM 431 O LEU A 782 13.653 5.134 5.838 1.00 0.00 O ATOM 432 CB LEU A 782 10.382 5.537 5.338 1.00 0.00 C ATOM 433 CG LEU A 782 9.924 6.334 4.115 1.00 0.00 C ATOM 434 CD1 LEU A 782 9.018 7.480 4.538 1.00 0.00 C ATOM 435 CD2 LEU A 782 11.122 6.857 3.336 1.00 0.00 C ATOM 0 H LEU A 782 9.892 3.118 5.234 1.00 0.00 H new ATOM 0 HA LEU A 782 11.898 4.677 4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 782 9.516 5.033 5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 782 10.750 6.235 6.089 1.00 0.00 H new ATOM 0 HG LEU A 782 9.358 5.669 3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 782 8.701 8.037 3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 782 8.142 7.081 5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 782 9.561 8.144 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 782 10.775 7.421 2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 782 11.718 7.507 3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 782 11.733 6.018 3.002 1.00 0.00 H new ATOM 447 N GLN A 783 12.295 4.098 7.308 1.00 0.00 N ATOM 448 CA GLN A 783 13.276 4.086 8.385 1.00 0.00 C ATOM 449 C GLN A 783 14.442 3.188 8.005 1.00 0.00 C ATOM 450 O GLN A 783 15.609 3.556 8.151 1.00 0.00 O ATOM 451 CB GLN A 783 12.642 3.566 9.682 1.00 0.00 C ATOM 452 CG GLN A 783 11.916 4.618 10.509 1.00 0.00 C ATOM 453 CD GLN A 783 11.644 5.902 9.752 1.00 0.00 C ATOM 454 OE1 GLN A 783 12.416 6.860 9.821 1.00 0.00 O ATOM 455 NE2 GLN A 783 10.544 5.929 9.020 1.00 0.00 N ATOM 0 H GLN A 783 11.396 3.685 7.554 1.00 0.00 H new ATOM 0 HA GLN A 783 13.629 5.105 8.544 1.00 0.00 H new ATOM 0 HB2 GLN A 783 11.938 2.772 9.432 1.00 0.00 H new ATOM 0 HB3 GLN A 783 13.423 3.118 10.296 1.00 0.00 H new ATOM 0 HG2 GLN A 783 10.970 4.204 10.858 1.00 0.00 H new ATOM 0 HG3 GLN A 783 12.510 4.846 11.394 1.00 0.00 H new ATOM 0 HE21 GLN A 783 9.931 5.114 8.990 1.00 0.00 H new ATOM 0 HE22 GLN A 783 10.308 6.765 8.485 1.00 0.00 H new ATOM 464 N HIS A 784 14.097 2.016 7.490 1.00 0.00 N ATOM 465 CA HIS A 784 15.070 0.995 7.144 1.00 0.00 C ATOM 466 C HIS A 784 16.038 1.480 6.064 1.00 0.00 C ATOM 467 O HIS A 784 17.240 1.267 6.172 1.00 0.00 O ATOM 468 CB HIS A 784 14.343 -0.274 6.686 1.00 0.00 C ATOM 469 CG HIS A 784 15.257 -1.388 6.287 1.00 0.00 C ATOM 470 ND1 HIS A 784 16.159 -1.973 7.146 1.00 0.00 N ATOM 471 CD2 HIS A 784 15.412 -2.009 5.100 1.00 0.00 C ATOM 472 CE1 HIS A 784 16.840 -2.902 6.501 1.00 0.00 C ATOM 473 NE2 HIS A 784 16.406 -2.947 5.254 1.00 0.00 N ATOM 0 H HIS A 784 13.131 1.748 7.301 1.00 0.00 H new ATOM 0 HA HIS A 784 15.662 0.773 8.032 1.00 0.00 H new ATOM 0 HB2 HIS A 784 13.695 -0.620 7.491 1.00 0.00 H new ATOM 0 HB3 HIS A 784 13.698 -0.027 5.842 1.00 0.00 H new ATOM 0 HD1 HIS A 784 16.282 -1.727 8.128 1.00 0.00 H new ATOM 0 HD2 HIS A 784 14.858 -1.807 4.195 1.00 0.00 H new ATOM 0 HE1 HIS A 784 17.619 -3.520 6.921 1.00 0.00 H new ATOM 482 N VAL A 785 15.517 2.132 5.030 1.00 0.00 N ATOM 483 CA VAL A 785 16.351 2.607 3.926 1.00 0.00 C ATOM 484 C VAL A 785 17.196 3.806 4.354 1.00 0.00 C ATOM 485 O VAL A 785 18.304 4.008 3.860 1.00 0.00 O ATOM 486 CB VAL A 785 15.501 2.984 2.685 1.00 0.00 C ATOM 487 CG1 VAL A 785 16.373 3.533 1.561 1.00 0.00 C ATOM 488 CG2 VAL A 785 14.710 1.777 2.197 1.00 0.00 C ATOM 0 H VAL A 785 14.524 2.344 4.931 1.00 0.00 H new ATOM 0 HA VAL A 785 17.012 1.785 3.652 1.00 0.00 H new ATOM 0 HB VAL A 785 14.804 3.767 2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 785 15.747 3.788 0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 785 16.894 4.425 1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 785 17.102 2.779 1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 785 14.118 2.058 1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 785 15.398 0.976 1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 785 14.047 1.432 2.990 1.00 0.00 H new ATOM 498 N LYS A 786 16.684 4.587 5.295 1.00 0.00 N ATOM 499 CA LYS A 786 17.398 5.767 5.769 1.00 0.00 C ATOM 500 C LYS A 786 18.686 5.379 6.493 1.00 0.00 C ATOM 501 O LYS A 786 19.636 6.163 6.553 1.00 0.00 O ATOM 502 CB LYS A 786 16.507 6.603 6.687 1.00 0.00 C ATOM 503 CG LYS A 786 16.423 8.066 6.284 1.00 0.00 C ATOM 504 CD LYS A 786 14.981 8.541 6.208 1.00 0.00 C ATOM 505 CE LYS A 786 14.415 8.401 4.803 1.00 0.00 C ATOM 506 NZ LYS A 786 13.860 9.684 4.293 1.00 0.00 N ATOM 0 H LYS A 786 15.782 4.427 5.744 1.00 0.00 H new ATOM 0 HA LYS A 786 17.665 6.366 4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 786 15.503 6.178 6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 786 16.886 6.537 7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 786 16.970 8.675 7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 786 16.905 8.206 5.316 1.00 0.00 H new ATOM 0 HD2 LYS A 786 14.371 7.966 6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 786 14.924 9.584 6.521 1.00 0.00 H new ATOM 0 HE2 LYS A 786 15.198 8.052 4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 786 13.633 7.642 4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 786 14.231 9.868 3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 786 12.822 9.623 4.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 786 14.138 10.459 4.928 1.00 0.00 H new ATOM 520 N ALA A 787 18.717 4.171 7.045 1.00 0.00 N ATOM 521 CA ALA A 787 19.910 3.682 7.722 1.00 0.00 C ATOM 522 C ALA A 787 20.590 2.576 6.920 1.00 0.00 C ATOM 523 O ALA A 787 21.792 2.357 7.044 1.00 0.00 O ATOM 524 CB ALA A 787 19.555 3.185 9.114 1.00 0.00 C ATOM 0 H ALA A 787 17.934 3.517 7.037 1.00 0.00 H new ATOM 0 HA ALA A 787 20.613 4.511 7.808 1.00 0.00 H new ATOM 0 HB1 ALA A 787 20.454 2.822 9.611 1.00 0.00 H new ATOM 0 HB2 ALA A 787 19.125 4.002 9.693 1.00 0.00 H new ATOM 0 HB3 ALA A 787 18.830 2.374 9.037 1.00 0.00 H new ATOM 530 N HIS A 788 19.815 1.885 6.093 1.00 0.00 N ATOM 531 CA HIS A 788 20.341 0.810 5.255 1.00 0.00 C ATOM 532 C HIS A 788 19.611 0.784 3.924 1.00 0.00 C ATOM 533 O HIS A 788 18.722 -0.044 3.719 1.00 0.00 O ATOM 534 CB HIS A 788 20.183 -0.575 5.909 1.00 0.00 C ATOM 535 CG HIS A 788 20.280 -0.609 7.403 1.00 0.00 C ATOM 536 ND1 HIS A 788 21.466 -0.743 8.083 1.00 0.00 N ATOM 537 CD2 HIS A 788 19.314 -0.550 8.346 1.00 0.00 C ATOM 538 CE1 HIS A 788 21.227 -0.765 9.380 1.00 0.00 C ATOM 539 NE2 HIS A 788 19.928 -0.650 9.567 1.00 0.00 N ATOM 0 H HIS A 788 18.814 2.050 5.983 1.00 0.00 H new ATOM 0 HA HIS A 788 21.403 1.014 5.118 1.00 0.00 H new ATOM 0 HB2 HIS A 788 19.216 -0.984 5.618 1.00 0.00 H new ATOM 0 HB3 HIS A 788 20.946 -1.238 5.500 1.00 0.00 H new ATOM 0 HD2 HIS A 788 18.254 -0.444 8.170 1.00 0.00 H new ATOM 0 HE1 HIS A 788 21.971 -0.861 10.157 1.00 0.00 H new ATOM 0 HE2 HIS A 788 19.457 -0.637 10.472 1.00 0.00 H new ATOM 548 N ALA A 789 19.964 1.700 3.036 1.00 0.00 N ATOM 549 CA ALA A 789 19.393 1.717 1.697 1.00 0.00 C ATOM 550 C ALA A 789 19.805 0.466 0.938 1.00 0.00 C ATOM 551 O ALA A 789 18.981 -0.393 0.643 1.00 0.00 O ATOM 552 CB ALA A 789 19.835 2.962 0.949 1.00 0.00 C ATOM 0 H ALA A 789 20.642 2.440 3.217 1.00 0.00 H new ATOM 0 HA ALA A 789 18.306 1.734 1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 789 19.400 2.960 -0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 789 19.501 3.848 1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 789 20.922 2.973 0.871 1.00 0.00 H new ATOM 558 N THR A 790 21.085 0.372 0.629 1.00 0.00 N ATOM 559 CA THR A 790 21.635 -0.841 0.062 1.00 0.00 C ATOM 560 C THR A 790 22.228 -1.701 1.173 1.00 0.00 C ATOM 561 O THR A 790 21.851 -2.859 1.355 1.00 0.00 O ATOM 562 CB THR A 790 22.715 -0.523 -0.984 1.00 0.00 C ATOM 563 OG1 THR A 790 22.418 0.729 -1.619 1.00 0.00 O ATOM 564 CG2 THR A 790 22.801 -1.623 -2.031 1.00 0.00 C ATOM 0 H THR A 790 21.762 1.123 0.762 1.00 0.00 H new ATOM 0 HA THR A 790 20.831 -1.384 -0.435 1.00 0.00 H new ATOM 0 HB THR A 790 23.677 -0.458 -0.476 1.00 0.00 H new ATOM 0 HG1 THR A 790 21.587 0.647 -2.131 1.00 0.00 H new ATOM 0 HG21 THR A 790 23.573 -1.373 -2.759 1.00 0.00 H new ATOM 0 HG22 THR A 790 23.051 -2.567 -1.547 1.00 0.00 H new ATOM 0 HG23 THR A 790 21.841 -1.718 -2.538 1.00 0.00 H new ATOM 572 N GLY A 791 23.132 -1.106 1.940 1.00 0.00 N ATOM 573 CA GLY A 791 23.761 -1.807 3.039 1.00 0.00 C ATOM 574 C GLY A 791 25.148 -1.279 3.313 1.00 0.00 C ATOM 575 O GLY A 791 25.306 -0.227 3.928 1.00 0.00 O ATOM 0 H GLY A 791 23.442 -0.142 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 791 23.149 -1.705 3.935 1.00 0.00 H new ATOM 0 HA3 GLY A 791 23.815 -2.871 2.809 1.00 0.00 H new ATOM 579 N ALA A 792 26.153 -1.998 2.841 1.00 0.00 N ATOM 580 CA ALA A 792 27.531 -1.565 2.988 1.00 0.00 C ATOM 581 C ALA A 792 27.963 -0.777 1.759 1.00 0.00 C ATOM 582 O ALA A 792 29.043 -0.185 1.726 1.00 0.00 O ATOM 583 CB ALA A 792 28.442 -2.762 3.204 1.00 0.00 C ATOM 0 H ALA A 792 26.039 -2.886 2.352 1.00 0.00 H new ATOM 0 HA ALA A 792 27.606 -0.917 3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 792 29.472 -2.421 3.312 1.00 0.00 H new ATOM 0 HB2 ALA A 792 28.138 -3.292 4.107 1.00 0.00 H new ATOM 0 HB3 ALA A 792 28.370 -3.433 2.348 1.00 0.00 H new ATOM 589 N GLY A 793 27.111 -0.788 0.743 1.00 0.00 N ATOM 590 CA GLY A 793 27.387 -0.052 -0.469 1.00 0.00 C ATOM 591 C GLY A 793 26.856 1.367 -0.423 1.00 0.00 C ATOM 592 O GLY A 793 27.096 2.091 0.546 1.00 0.00 O ATOM 0 H GLY A 793 26.228 -1.298 0.740 1.00 0.00 H new ATOM 0 HA2 GLY A 793 28.464 -0.028 -0.638 1.00 0.00 H new ATOM 0 HA3 GLY A 793 26.943 -0.575 -1.316 1.00 0.00 H new ATOM 596 N PRO A 794 26.127 1.790 -1.466 1.00 0.00 N ATOM 597 CA PRO A 794 25.591 3.142 -1.581 1.00 0.00 C ATOM 598 C PRO A 794 24.257 3.317 -0.852 1.00 0.00 C ATOM 599 O PRO A 794 23.953 2.603 0.107 1.00 0.00 O ATOM 600 CB PRO A 794 25.398 3.322 -3.098 1.00 0.00 C ATOM 601 CG PRO A 794 25.751 2.010 -3.732 1.00 0.00 C ATOM 602 CD PRO A 794 25.769 0.988 -2.633 1.00 0.00 C ATOM 0 HA PRO A 794 26.256 3.877 -1.127 1.00 0.00 H new ATOM 0 HB2 PRO A 794 24.369 3.599 -3.328 1.00 0.00 H new ATOM 0 HB3 PRO A 794 26.036 4.120 -3.478 1.00 0.00 H new ATOM 0 HG2 PRO A 794 25.022 1.742 -4.497 1.00 0.00 H new ATOM 0 HG3 PRO A 794 26.723 2.067 -4.223 1.00 0.00 H new ATOM 0 HD2 PRO A 794 24.800 0.504 -2.512 1.00 0.00 H new ATOM 0 HD3 PRO A 794 26.497 0.199 -2.823 1.00 0.00 H new ATOM 610 N ALA A 795 23.474 4.291 -1.299 1.00 0.00 N ATOM 611 CA ALA A 795 22.170 4.559 -0.720 1.00 0.00 C ATOM 612 C ALA A 795 21.142 4.822 -1.810 1.00 0.00 C ATOM 613 O ALA A 795 20.916 5.970 -2.199 1.00 0.00 O ATOM 614 CB ALA A 795 22.248 5.747 0.229 1.00 0.00 C ATOM 0 H ALA A 795 23.726 4.912 -2.068 1.00 0.00 H new ATOM 0 HA ALA A 795 21.857 3.680 -0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 795 21.263 5.937 0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 795 22.954 5.527 1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 795 22.582 6.628 -0.318 1.00 0.00 H new ATOM 620 N GLY A 796 20.547 3.755 -2.326 1.00 0.00 N ATOM 621 CA GLY A 796 19.466 3.906 -3.275 1.00 0.00 C ATOM 622 C GLY A 796 18.218 4.428 -2.600 1.00 0.00 C ATOM 623 O GLY A 796 17.510 3.681 -1.932 1.00 0.00 O ATOM 0 H GLY A 796 20.794 2.791 -2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 796 19.767 4.590 -4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 796 19.254 2.946 -3.745 1.00 0.00 H new ATOM 627 N ARG A 797 17.958 5.715 -2.744 1.00 0.00 N ATOM 628 CA ARG A 797 16.821 6.325 -2.082 1.00 0.00 C ATOM 629 C ARG A 797 15.596 6.308 -2.981 1.00 0.00 C ATOM 630 O ARG A 797 15.646 6.735 -4.136 1.00 0.00 O ATOM 631 CB ARG A 797 17.148 7.759 -1.665 1.00 0.00 C ATOM 632 CG ARG A 797 17.733 7.870 -0.267 1.00 0.00 C ATOM 633 CD ARG A 797 17.032 8.945 0.551 1.00 0.00 C ATOM 634 NE ARG A 797 17.619 10.269 0.341 1.00 0.00 N ATOM 635 CZ ARG A 797 17.000 11.416 0.623 1.00 0.00 C ATOM 636 NH1 ARG A 797 15.770 11.408 1.123 1.00 0.00 N ATOM 637 NH2 ARG A 797 17.612 12.572 0.396 1.00 0.00 N ATOM 0 H ARG A 797 18.516 6.354 -3.310 1.00 0.00 H new ATOM 0 HA ARG A 797 16.600 5.742 -1.188 1.00 0.00 H new ATOM 0 HB2 ARG A 797 17.853 8.184 -2.379 1.00 0.00 H new ATOM 0 HB3 ARG A 797 16.240 8.360 -1.718 1.00 0.00 H new ATOM 0 HG2 ARG A 797 17.645 6.910 0.242 1.00 0.00 H new ATOM 0 HG3 ARG A 797 18.797 8.099 -0.334 1.00 0.00 H new ATOM 0 HD2 ARG A 797 15.975 8.971 0.284 1.00 0.00 H new ATOM 0 HD3 ARG A 797 17.087 8.688 1.609 1.00 0.00 H new ATOM 0 HE ARG A 797 18.562 10.318 -0.046 1.00 0.00 H new ATOM 0 HH11 ARG A 797 15.294 10.522 1.293 1.00 0.00 H new ATOM 0 HH12 ARG A 797 15.301 12.288 1.337 1.00 0.00 H new ATOM 0 HH21 ARG A 797 18.555 12.582 0.006 1.00 0.00 H new ATOM 0 HH22 ARG A 797 17.140 13.450 0.611 1.00 0.00 H new ATOM 651 N TYR A 798 14.505 5.793 -2.442 1.00 0.00 N ATOM 652 CA TYR A 798 13.229 5.760 -3.140 1.00 0.00 C ATOM 653 C TYR A 798 12.227 6.612 -2.376 1.00 0.00 C ATOM 654 O TYR A 798 11.042 6.294 -2.309 1.00 0.00 O ATOM 655 CB TYR A 798 12.709 4.323 -3.253 1.00 0.00 C ATOM 656 CG TYR A 798 13.757 3.264 -2.986 1.00 0.00 C ATOM 657 CD1 TYR A 798 13.987 2.800 -1.698 1.00 0.00 C ATOM 658 CD2 TYR A 798 14.519 2.737 -4.019 1.00 0.00 C ATOM 659 CE1 TYR A 798 14.942 1.836 -1.448 1.00 0.00 C ATOM 660 CE2 TYR A 798 15.477 1.771 -3.778 1.00 0.00 C ATOM 661 CZ TYR A 798 15.687 1.326 -2.490 1.00 0.00 C ATOM 662 OH TYR A 798 16.635 0.361 -2.246 1.00 0.00 O ATOM 0 H TYR A 798 14.477 5.385 -1.507 1.00 0.00 H new ATOM 0 HA TYR A 798 13.363 6.154 -4.148 1.00 0.00 H new ATOM 0 HB2 TYR A 798 11.886 4.190 -2.551 1.00 0.00 H new ATOM 0 HB3 TYR A 798 12.302 4.173 -4.253 1.00 0.00 H new ATOM 0 HD1 TYR A 798 13.409 3.200 -0.878 1.00 0.00 H new ATOM 0 HD2 TYR A 798 14.361 3.088 -5.028 1.00 0.00 H new ATOM 0 HE1 TYR A 798 15.105 1.483 -0.441 1.00 0.00 H new ATOM 0 HE2 TYR A 798 16.058 1.367 -4.594 1.00 0.00 H new ATOM 0 HH TYR A 798 16.362 -0.178 -1.474 1.00 0.00 H new ATOM 672 N ASP A 799 12.733 7.706 -1.817 1.00 0.00 N ATOM 673 CA ASP A 799 11.967 8.556 -0.910 1.00 0.00 C ATOM 674 C ASP A 799 10.742 9.146 -1.592 1.00 0.00 C ATOM 675 O ASP A 799 9.691 9.301 -0.968 1.00 0.00 O ATOM 676 CB ASP A 799 12.850 9.682 -0.373 1.00 0.00 C ATOM 677 CG ASP A 799 12.961 9.662 1.136 1.00 0.00 C ATOM 678 OD1 ASP A 799 11.941 9.889 1.819 1.00 0.00 O ATOM 679 OD2 ASP A 799 14.074 9.428 1.653 1.00 0.00 O ATOM 0 H ASP A 799 13.687 8.029 -1.980 1.00 0.00 H new ATOM 0 HA ASP A 799 11.625 7.932 -0.084 1.00 0.00 H new ATOM 0 HB2 ASP A 799 13.846 9.598 -0.808 1.00 0.00 H new ATOM 0 HB3 ASP A 799 12.443 10.642 -0.691 1.00 0.00 H new ATOM 684 N GLN A 800 10.880 9.472 -2.870 1.00 0.00 N ATOM 685 CA GLN A 800 9.774 10.019 -3.642 1.00 0.00 C ATOM 686 C GLN A 800 8.695 8.966 -3.856 1.00 0.00 C ATOM 687 O GLN A 800 7.503 9.261 -3.778 1.00 0.00 O ATOM 688 CB GLN A 800 10.266 10.537 -4.991 1.00 0.00 C ATOM 689 CG GLN A 800 10.992 11.867 -4.904 1.00 0.00 C ATOM 690 CD GLN A 800 11.030 12.593 -6.230 1.00 0.00 C ATOM 691 OE1 GLN A 800 11.923 12.370 -7.049 1.00 0.00 O ATOM 692 NE2 GLN A 800 10.057 13.457 -6.459 1.00 0.00 N ATOM 0 H GLN A 800 11.749 9.367 -3.394 1.00 0.00 H new ATOM 0 HA GLN A 800 9.348 10.849 -3.079 1.00 0.00 H new ATOM 0 HB2 GLN A 800 10.933 9.797 -5.433 1.00 0.00 H new ATOM 0 HB3 GLN A 800 9.414 10.641 -5.663 1.00 0.00 H new ATOM 0 HG2 GLN A 800 10.502 12.497 -4.162 1.00 0.00 H new ATOM 0 HG3 GLN A 800 12.011 11.699 -4.556 1.00 0.00 H new ATOM 0 HE21 GLN A 800 9.336 13.612 -5.754 1.00 0.00 H new ATOM 0 HE22 GLN A 800 10.026 13.969 -7.341 1.00 0.00 H new ATOM 701 N ALA A 801 9.115 7.737 -4.117 1.00 0.00 N ATOM 702 CA ALA A 801 8.182 6.639 -4.314 1.00 0.00 C ATOM 703 C ALA A 801 7.383 6.383 -3.043 1.00 0.00 C ATOM 704 O ALA A 801 6.156 6.289 -3.080 1.00 0.00 O ATOM 705 CB ALA A 801 8.920 5.382 -4.745 1.00 0.00 C ATOM 0 H ALA A 801 10.098 7.475 -4.197 1.00 0.00 H new ATOM 0 HA ALA A 801 7.487 6.916 -5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 801 8.205 4.571 -4.887 1.00 0.00 H new ATOM 0 HB2 ALA A 801 9.445 5.571 -5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 801 9.639 5.101 -3.976 1.00 0.00 H new ATOM 711 N THR A 802 8.082 6.300 -1.916 1.00 0.00 N ATOM 712 CA THR A 802 7.433 6.095 -0.632 1.00 0.00 C ATOM 713 C THR A 802 6.517 7.271 -0.300 1.00 0.00 C ATOM 714 O THR A 802 5.410 7.089 0.210 1.00 0.00 O ATOM 715 CB THR A 802 8.474 5.915 0.489 1.00 0.00 C ATOM 716 OG1 THR A 802 9.684 6.597 0.143 1.00 0.00 O ATOM 717 CG2 THR A 802 8.775 4.442 0.718 1.00 0.00 C ATOM 0 H THR A 802 9.098 6.372 -1.869 1.00 0.00 H new ATOM 0 HA THR A 802 6.835 5.186 -0.702 1.00 0.00 H new ATOM 0 HB THR A 802 8.062 6.335 1.407 1.00 0.00 H new ATOM 0 HG1 THR A 802 9.472 7.502 -0.167 1.00 0.00 H new ATOM 0 HG21 THR A 802 9.513 4.341 1.514 1.00 0.00 H new ATOM 0 HG22 THR A 802 7.860 3.924 1.003 1.00 0.00 H new ATOM 0 HG23 THR A 802 9.169 4.004 -0.199 1.00 0.00 H new ATOM 725 N ASP A 803 6.981 8.477 -0.617 1.00 0.00 N ATOM 726 CA ASP A 803 6.201 9.692 -0.396 1.00 0.00 C ATOM 727 C ASP A 803 4.887 9.630 -1.165 1.00 0.00 C ATOM 728 O ASP A 803 3.819 9.902 -0.616 1.00 0.00 O ATOM 729 CB ASP A 803 6.998 10.925 -0.834 1.00 0.00 C ATOM 730 CG ASP A 803 6.155 12.183 -0.864 1.00 0.00 C ATOM 731 OD1 ASP A 803 5.798 12.691 0.219 1.00 0.00 O ATOM 732 OD2 ASP A 803 5.844 12.669 -1.973 1.00 0.00 O ATOM 0 H ASP A 803 7.899 8.639 -1.030 1.00 0.00 H new ATOM 0 HA ASP A 803 5.984 9.769 0.669 1.00 0.00 H new ATOM 0 HB2 ASP A 803 7.837 11.071 -0.154 1.00 0.00 H new ATOM 0 HB3 ASP A 803 7.417 10.749 -1.825 1.00 0.00 H new ATOM 737 N THR A 804 4.975 9.249 -2.433 1.00 0.00 N ATOM 738 CA THR A 804 3.800 9.141 -3.285 1.00 0.00 C ATOM 739 C THR A 804 2.796 8.144 -2.708 1.00 0.00 C ATOM 740 O THR A 804 1.602 8.431 -2.639 1.00 0.00 O ATOM 741 CB THR A 804 4.193 8.719 -4.716 1.00 0.00 C ATOM 742 OG1 THR A 804 5.281 9.533 -5.177 1.00 0.00 O ATOM 743 CG2 THR A 804 3.015 8.857 -5.670 1.00 0.00 C ATOM 0 H THR A 804 5.852 9.009 -2.895 1.00 0.00 H new ATOM 0 HA THR A 804 3.332 10.125 -3.326 1.00 0.00 H new ATOM 0 HB THR A 804 4.497 7.672 -4.693 1.00 0.00 H new ATOM 0 HG1 THR A 804 6.131 9.124 -4.911 1.00 0.00 H new ATOM 0 HG21 THR A 804 3.320 8.553 -6.671 1.00 0.00 H new ATOM 0 HG22 THR A 804 2.196 8.222 -5.332 1.00 0.00 H new ATOM 0 HG23 THR A 804 2.684 9.895 -5.691 1.00 0.00 H new ATOM 751 N ILE A 805 3.289 6.988 -2.273 1.00 0.00 N ATOM 752 CA ILE A 805 2.434 5.963 -1.681 1.00 0.00 C ATOM 753 C ILE A 805 1.739 6.489 -0.429 1.00 0.00 C ATOM 754 O ILE A 805 0.516 6.423 -0.316 1.00 0.00 O ATOM 755 CB ILE A 805 3.240 4.701 -1.315 1.00 0.00 C ATOM 756 CG1 ILE A 805 3.732 4.001 -2.576 1.00 0.00 C ATOM 757 CG2 ILE A 805 2.405 3.745 -0.473 1.00 0.00 C ATOM 758 CD1 ILE A 805 5.034 3.266 -2.373 1.00 0.00 C ATOM 0 H ILE A 805 4.277 6.737 -2.319 1.00 0.00 H new ATOM 0 HA ILE A 805 1.686 5.702 -2.429 1.00 0.00 H new ATOM 0 HB ILE A 805 4.102 5.010 -0.725 1.00 0.00 H new ATOM 0 HG12 ILE A 805 2.972 3.296 -2.913 1.00 0.00 H new ATOM 0 HG13 ILE A 805 3.857 4.738 -3.369 1.00 0.00 H new ATOM 0 HG21 ILE A 805 2.997 2.863 -0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.099 4.243 0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.520 3.444 -1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 805 5.332 2.789 -3.307 1.00 0.00 H new ATOM 0 HD12 ILE A 805 5.806 3.971 -2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 805 4.907 2.506 -1.602 1.00 0.00 H new ATOM 770 N LEU A 806 2.528 7.013 0.502 1.00 0.00 N ATOM 771 CA LEU A 806 1.995 7.544 1.753 1.00 0.00 C ATOM 772 C LEU A 806 0.910 8.591 1.482 1.00 0.00 C ATOM 773 O LEU A 806 -0.168 8.543 2.078 1.00 0.00 O ATOM 774 CB LEU A 806 3.128 8.135 2.602 1.00 0.00 C ATOM 775 CG LEU A 806 3.079 7.817 4.105 1.00 0.00 C ATOM 776 CD1 LEU A 806 3.868 8.852 4.894 1.00 0.00 C ATOM 777 CD2 LEU A 806 1.647 7.744 4.612 1.00 0.00 C ATOM 0 H LEU A 806 3.542 7.082 0.414 1.00 0.00 H new ATOM 0 HA LEU A 806 1.537 6.727 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 806 4.078 7.776 2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 806 3.120 9.218 2.479 1.00 0.00 H new ATOM 0 HG LEU A 806 3.536 6.838 4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 806 3.823 8.612 5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 806 4.907 8.846 4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 806 3.440 9.840 4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 806 1.650 7.517 5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.153 8.701 4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 806 1.111 6.961 4.076 1.00 0.00 H new ATOM 789 N THR A 807 1.184 9.511 0.566 1.00 0.00 N ATOM 790 CA THR A 807 0.204 10.519 0.184 1.00 0.00 C ATOM 791 C THR A 807 -1.043 9.873 -0.425 1.00 0.00 C ATOM 792 O THR A 807 -2.169 10.215 -0.064 1.00 0.00 O ATOM 793 CB THR A 807 0.805 11.525 -0.817 1.00 0.00 C ATOM 794 OG1 THR A 807 1.947 12.163 -0.232 1.00 0.00 O ATOM 795 CG2 THR A 807 -0.215 12.580 -1.222 1.00 0.00 C ATOM 0 H THR A 807 2.075 9.580 0.075 1.00 0.00 H new ATOM 0 HA THR A 807 -0.082 11.052 1.091 1.00 0.00 H new ATOM 0 HB THR A 807 1.102 10.977 -1.711 1.00 0.00 H new ATOM 0 HG1 THR A 807 2.713 11.552 -0.260 1.00 0.00 H new ATOM 0 HG21 THR A 807 0.240 13.274 -1.928 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.072 12.096 -1.690 1.00 0.00 H new ATOM 0 HG23 THR A 807 -0.544 13.126 -0.338 1.00 0.00 H new ATOM 803 N VAL A 808 -0.831 8.929 -1.335 1.00 0.00 N ATOM 804 CA VAL A 808 -1.927 8.232 -1.997 1.00 0.00 C ATOM 805 C VAL A 808 -2.833 7.538 -0.976 1.00 0.00 C ATOM 806 O VAL A 808 -4.055 7.684 -1.017 1.00 0.00 O ATOM 807 CB VAL A 808 -1.389 7.197 -3.014 1.00 0.00 C ATOM 808 CG1 VAL A 808 -2.378 6.063 -3.233 1.00 0.00 C ATOM 809 CG2 VAL A 808 -1.054 7.870 -4.337 1.00 0.00 C ATOM 0 H VAL A 808 0.097 8.627 -1.633 1.00 0.00 H new ATOM 0 HA VAL A 808 -2.515 8.977 -2.534 1.00 0.00 H new ATOM 0 HB VAL A 808 -0.478 6.769 -2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -1.967 5.355 -3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -2.562 5.553 -2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -3.315 6.467 -3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -0.677 7.126 -5.039 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -1.951 8.334 -4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -0.293 8.633 -4.175 1.00 0.00 H new ATOM 819 N THR A 809 -2.224 6.806 -0.050 1.00 0.00 N ATOM 820 CA THR A 809 -2.974 6.078 0.964 1.00 0.00 C ATOM 821 C THR A 809 -3.754 7.041 1.860 1.00 0.00 C ATOM 822 O THR A 809 -4.904 6.779 2.220 1.00 0.00 O ATOM 823 CB THR A 809 -2.051 5.194 1.827 1.00 0.00 C ATOM 824 OG1 THR A 809 -0.965 4.690 1.034 1.00 0.00 O ATOM 825 CG2 THR A 809 -2.821 4.026 2.417 1.00 0.00 C ATOM 0 H THR A 809 -1.212 6.702 0.019 1.00 0.00 H new ATOM 0 HA THR A 809 -3.677 5.430 0.441 1.00 0.00 H new ATOM 0 HB THR A 809 -1.659 5.808 2.638 1.00 0.00 H new ATOM 0 HG1 THR A 809 -0.296 5.395 0.910 1.00 0.00 H new ATOM 0 HG21 THR A 809 -2.150 3.416 3.022 1.00 0.00 H new ATOM 0 HG22 THR A 809 -3.631 4.403 3.042 1.00 0.00 H new ATOM 0 HG23 THR A 809 -3.236 3.420 1.612 1.00 0.00 H new ATOM 833 N GLU A 810 -3.129 8.168 2.190 1.00 0.00 N ATOM 834 CA GLU A 810 -3.776 9.203 2.985 1.00 0.00 C ATOM 835 C GLU A 810 -4.990 9.754 2.243 1.00 0.00 C ATOM 836 O GLU A 810 -6.043 9.973 2.835 1.00 0.00 O ATOM 837 CB GLU A 810 -2.789 10.331 3.294 1.00 0.00 C ATOM 838 CG GLU A 810 -3.290 11.316 4.338 1.00 0.00 C ATOM 839 CD GLU A 810 -3.494 10.673 5.694 1.00 0.00 C ATOM 840 OE1 GLU A 810 -2.490 10.310 6.340 1.00 0.00 O ATOM 841 OE2 GLU A 810 -4.657 10.541 6.125 1.00 0.00 O ATOM 0 H GLU A 810 -2.171 8.387 1.917 1.00 0.00 H new ATOM 0 HA GLU A 810 -4.108 8.764 3.926 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -1.851 9.896 3.639 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -2.570 10.872 2.373 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -2.577 12.135 4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -4.231 11.750 4.001 1.00 0.00 H new ATOM 848 N ASN A 811 -4.834 9.953 0.937 1.00 0.00 N ATOM 849 CA ASN A 811 -5.920 10.446 0.090 1.00 0.00 C ATOM 850 C ASN A 811 -7.107 9.490 0.131 1.00 0.00 C ATOM 851 O ASN A 811 -8.263 9.916 0.116 1.00 0.00 O ATOM 852 CB ASN A 811 -5.454 10.601 -1.360 1.00 0.00 C ATOM 853 CG ASN A 811 -4.597 11.831 -1.592 1.00 0.00 C ATOM 854 OD1 ASN A 811 -4.693 12.825 -0.869 1.00 0.00 O ATOM 855 ND2 ASN A 811 -3.757 11.771 -2.615 1.00 0.00 N ATOM 0 H ASN A 811 -3.961 9.780 0.438 1.00 0.00 H new ATOM 0 HA ASN A 811 -6.223 11.420 0.475 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -4.889 9.715 -1.648 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -6.327 10.648 -2.011 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -3.157 12.568 -2.830 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -3.710 10.928 -3.188 1.00 0.00 H new ATOM 862 N ILE A 812 -6.814 8.195 0.175 1.00 0.00 N ATOM 863 CA ILE A 812 -7.852 7.176 0.245 1.00 0.00 C ATOM 864 C ILE A 812 -8.623 7.285 1.561 1.00 0.00 C ATOM 865 O ILE A 812 -9.837 7.086 1.593 1.00 0.00 O ATOM 866 CB ILE A 812 -7.263 5.753 0.094 1.00 0.00 C ATOM 867 CG1 ILE A 812 -6.853 5.501 -1.359 1.00 0.00 C ATOM 868 CG2 ILE A 812 -8.261 4.695 0.549 1.00 0.00 C ATOM 869 CD1 ILE A 812 -5.503 4.831 -1.504 1.00 0.00 C ATOM 0 H ILE A 812 -5.863 7.826 0.163 1.00 0.00 H new ATOM 0 HA ILE A 812 -8.536 7.349 -0.586 1.00 0.00 H new ATOM 0 HB ILE A 812 -6.380 5.683 0.730 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -7.610 4.880 -1.838 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -6.836 6.451 -1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -7.820 3.705 0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -8.512 4.859 1.597 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -9.165 4.764 -0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -5.281 4.685 -2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -4.734 5.460 -1.055 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -5.520 3.865 -1.000 1.00 0.00 H new ATOM 881 N PHE A 813 -7.916 7.622 2.636 1.00 0.00 N ATOM 882 CA PHE A 813 -8.549 7.829 3.937 1.00 0.00 C ATOM 883 C PHE A 813 -9.562 8.968 3.862 1.00 0.00 C ATOM 884 O PHE A 813 -10.694 8.845 4.334 1.00 0.00 O ATOM 885 CB PHE A 813 -7.499 8.160 5.001 1.00 0.00 C ATOM 886 CG PHE A 813 -6.834 6.959 5.608 1.00 0.00 C ATOM 887 CD1 PHE A 813 -7.563 6.050 6.356 1.00 0.00 C ATOM 888 CD2 PHE A 813 -5.474 6.750 5.443 1.00 0.00 C ATOM 889 CE1 PHE A 813 -6.951 4.949 6.920 1.00 0.00 C ATOM 890 CE2 PHE A 813 -4.857 5.651 6.006 1.00 0.00 C ATOM 891 CZ PHE A 813 -5.595 4.752 6.748 1.00 0.00 C ATOM 0 H PHE A 813 -6.905 7.758 2.633 1.00 0.00 H new ATOM 0 HA PHE A 813 -9.060 6.906 4.212 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -6.735 8.797 4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -7.973 8.738 5.794 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -8.622 6.204 6.500 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -4.891 7.454 4.868 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -7.532 4.243 7.495 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -3.798 5.495 5.866 1.00 0.00 H new ATOM 0 HZ PHE A 813 -5.113 3.895 7.194 1.00 0.00 H new ATOM 901 N SER A 814 -9.142 10.076 3.266 1.00 0.00 N ATOM 902 CA SER A 814 -9.995 11.247 3.114 1.00 0.00 C ATOM 903 C SER A 814 -11.161 10.966 2.166 1.00 0.00 C ATOM 904 O SER A 814 -12.275 11.447 2.373 1.00 0.00 O ATOM 905 CB SER A 814 -9.158 12.411 2.587 1.00 0.00 C ATOM 906 OG SER A 814 -7.775 12.132 2.720 1.00 0.00 O ATOM 0 H SER A 814 -8.206 10.188 2.876 1.00 0.00 H new ATOM 0 HA SER A 814 -10.414 11.502 4.087 1.00 0.00 H new ATOM 0 HB2 SER A 814 -9.398 12.594 1.540 1.00 0.00 H new ATOM 0 HB3 SER A 814 -9.405 13.321 3.134 1.00 0.00 H new ATOM 0 HG SER A 814 -7.254 12.888 2.376 1.00 0.00 H new ATOM 912 N SER A 815 -10.900 10.169 1.140 1.00 0.00 N ATOM 913 CA SER A 815 -11.904 9.864 0.131 1.00 0.00 C ATOM 914 C SER A 815 -12.570 8.516 0.399 1.00 0.00 C ATOM 915 O SER A 815 -13.117 7.892 -0.514 1.00 0.00 O ATOM 916 CB SER A 815 -11.258 9.867 -1.256 1.00 0.00 C ATOM 917 OG SER A 815 -10.322 10.929 -1.374 1.00 0.00 O ATOM 0 H SER A 815 -9.997 9.720 0.984 1.00 0.00 H new ATOM 0 HA SER A 815 -12.677 10.631 0.174 1.00 0.00 H new ATOM 0 HB2 SER A 815 -10.758 8.914 -1.431 1.00 0.00 H new ATOM 0 HB3 SER A 815 -12.028 9.968 -2.021 1.00 0.00 H new ATOM 0 HG SER A 815 -9.485 10.679 -0.929 1.00 0.00 H new ATOM 923 N MET A 816 -12.519 8.070 1.650 1.00 0.00 N ATOM 924 CA MET A 816 -13.122 6.801 2.041 1.00 0.00 C ATOM 925 C MET A 816 -14.639 6.875 1.927 1.00 0.00 C ATOM 926 O MET A 816 -15.322 7.348 2.837 1.00 0.00 O ATOM 927 CB MET A 816 -12.722 6.432 3.470 1.00 0.00 C ATOM 928 CG MET A 816 -12.652 4.936 3.713 1.00 0.00 C ATOM 929 SD MET A 816 -12.191 4.531 5.408 1.00 0.00 S ATOM 930 CE MET A 816 -10.440 4.218 5.212 1.00 0.00 C ATOM 0 H MET A 816 -12.064 8.571 2.413 1.00 0.00 H new ATOM 0 HA MET A 816 -12.756 6.028 1.366 1.00 0.00 H new ATOM 0 HB2 MET A 816 -11.751 6.874 3.692 1.00 0.00 H new ATOM 0 HB3 MET A 816 -13.438 6.871 4.164 1.00 0.00 H new ATOM 0 HG2 MET A 816 -13.620 4.489 3.487 1.00 0.00 H new ATOM 0 HG3 MET A 816 -11.929 4.494 3.028 1.00 0.00 H new ATOM 0 HE1 MET A 816 -9.924 4.443 6.145 1.00 0.00 H new ATOM 0 HE2 MET A 816 -10.284 3.170 4.954 1.00 0.00 H new ATOM 0 HE3 MET A 816 -10.044 4.850 4.417 1.00 0.00 H new ATOM 940 N GLY A 817 -15.156 6.407 0.805 1.00 0.00 N ATOM 941 CA GLY A 817 -16.578 6.487 0.554 1.00 0.00 C ATOM 942 C GLY A 817 -16.880 7.140 -0.777 1.00 0.00 C ATOM 943 O GLY A 817 -18.034 7.210 -1.194 1.00 0.00 O ATOM 0 H GLY A 817 -14.614 5.971 0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -17.007 5.485 0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -17.056 7.053 1.353 1.00 0.00 H new ATOM 947 N ASP A 818 -15.843 7.632 -1.443 1.00 0.00 N ATOM 948 CA ASP A 818 -16.009 8.220 -2.768 1.00 0.00 C ATOM 949 C ASP A 818 -15.986 7.136 -3.828 1.00 0.00 C ATOM 950 O ASP A 818 -16.517 7.306 -4.928 1.00 0.00 O ATOM 951 CB ASP A 818 -14.918 9.257 -3.048 1.00 0.00 C ATOM 952 CG ASP A 818 -15.051 9.883 -4.424 1.00 0.00 C ATOM 953 OD1 ASP A 818 -15.874 10.810 -4.584 1.00 0.00 O ATOM 954 OD2 ASP A 818 -14.339 9.447 -5.354 1.00 0.00 O ATOM 0 H ASP A 818 -14.885 7.636 -1.092 1.00 0.00 H new ATOM 0 HA ASP A 818 -16.974 8.725 -2.798 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -14.962 10.040 -2.291 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -13.940 8.784 -2.961 1.00 0.00 H new ATOM 959 N ALA A 819 -15.376 6.019 -3.457 1.00 0.00 N ATOM 960 CA ALA A 819 -15.230 4.840 -4.316 1.00 0.00 C ATOM 961 C ALA A 819 -14.297 5.103 -5.502 1.00 0.00 C ATOM 962 O ALA A 819 -13.218 4.515 -5.588 1.00 0.00 O ATOM 963 CB ALA A 819 -16.590 4.342 -4.793 1.00 0.00 C ATOM 0 H ALA A 819 -14.959 5.899 -2.534 1.00 0.00 H new ATOM 0 HA ALA A 819 -14.769 4.058 -3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -16.455 3.467 -5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -17.202 4.074 -3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -17.087 5.129 -5.360 1.00 0.00 H new ATOM 969 N GLY A 820 -14.706 5.999 -6.395 1.00 0.00 N ATOM 970 CA GLY A 820 -13.934 6.286 -7.593 1.00 0.00 C ATOM 971 C GLY A 820 -12.529 6.766 -7.288 1.00 0.00 C ATOM 972 O GLY A 820 -11.556 6.232 -7.826 1.00 0.00 O ATOM 0 H GLY A 820 -15.568 6.537 -6.309 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -13.880 5.388 -8.208 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -14.452 7.044 -8.180 1.00 0.00 H new ATOM 976 N GLU A 821 -12.422 7.768 -6.417 1.00 0.00 N ATOM 977 CA GLU A 821 -11.126 8.300 -6.013 1.00 0.00 C ATOM 978 C GLU A 821 -10.294 7.221 -5.339 1.00 0.00 C ATOM 979 O GLU A 821 -9.089 7.131 -5.551 1.00 0.00 O ATOM 980 CB GLU A 821 -11.304 9.478 -5.056 1.00 0.00 C ATOM 981 CG GLU A 821 -10.028 10.264 -4.809 1.00 0.00 C ATOM 982 CD GLU A 821 -9.586 11.056 -6.020 1.00 0.00 C ATOM 983 OE1 GLU A 821 -10.451 11.443 -6.835 1.00 0.00 O ATOM 984 OE2 GLU A 821 -8.371 11.301 -6.160 1.00 0.00 O ATOM 0 H GLU A 821 -13.220 8.227 -5.978 1.00 0.00 H new ATOM 0 HA GLU A 821 -10.608 8.643 -6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -12.062 10.150 -5.459 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -11.681 9.107 -4.103 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -10.182 10.944 -3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -9.233 9.577 -4.520 1.00 0.00 H new ATOM 991 N MET A 822 -10.956 6.394 -4.540 1.00 0.00 N ATOM 992 CA MET A 822 -10.277 5.333 -3.808 1.00 0.00 C ATOM 993 C MET A 822 -9.597 4.367 -4.765 1.00 0.00 C ATOM 994 O MET A 822 -8.411 4.080 -4.625 1.00 0.00 O ATOM 995 CB MET A 822 -11.266 4.572 -2.933 1.00 0.00 C ATOM 996 CG MET A 822 -11.653 5.310 -1.667 1.00 0.00 C ATOM 997 SD MET A 822 -13.126 4.617 -0.899 1.00 0.00 S ATOM 998 CE MET A 822 -12.740 2.870 -0.988 1.00 0.00 C ATOM 0 H MET A 822 -11.963 6.438 -4.382 1.00 0.00 H new ATOM 0 HA MET A 822 -9.519 5.794 -3.175 1.00 0.00 H new ATOM 0 HB2 MET A 822 -12.166 4.366 -3.512 1.00 0.00 H new ATOM 0 HB3 MET A 822 -10.833 3.609 -2.663 1.00 0.00 H new ATOM 0 HG2 MET A 822 -10.825 5.273 -0.959 1.00 0.00 H new ATOM 0 HG3 MET A 822 -11.827 6.361 -1.900 1.00 0.00 H new ATOM 0 HE1 MET A 822 -13.408 2.316 -0.329 1.00 0.00 H new ATOM 0 HE2 MET A 822 -12.869 2.521 -2.012 1.00 0.00 H new ATOM 0 HE3 MET A 822 -11.708 2.709 -0.677 1.00 0.00 H new ATOM 1008 N VAL A 823 -10.355 3.877 -5.739 1.00 0.00 N ATOM 1009 CA VAL A 823 -9.818 2.967 -6.744 1.00 0.00 C ATOM 1010 C VAL A 823 -8.755 3.668 -7.583 1.00 0.00 C ATOM 1011 O VAL A 823 -7.728 3.080 -7.920 1.00 0.00 O ATOM 1012 CB VAL A 823 -10.928 2.420 -7.669 1.00 0.00 C ATOM 1013 CG1 VAL A 823 -10.357 1.443 -8.686 1.00 0.00 C ATOM 1014 CG2 VAL A 823 -12.026 1.755 -6.855 1.00 0.00 C ATOM 0 H VAL A 823 -11.345 4.095 -5.854 1.00 0.00 H new ATOM 0 HA VAL A 823 -9.369 2.127 -6.214 1.00 0.00 H new ATOM 0 HB VAL A 823 -11.359 3.262 -8.210 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -11.159 1.073 -9.325 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -9.610 1.949 -9.298 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -9.892 0.606 -8.165 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -12.798 1.377 -7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -11.605 0.928 -6.283 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -12.464 2.483 -6.172 1.00 0.00 H new ATOM 1024 N ARG A 824 -9.004 4.935 -7.897 1.00 0.00 N ATOM 1025 CA ARG A 824 -8.056 5.739 -8.657 1.00 0.00 C ATOM 1026 C ARG A 824 -6.710 5.797 -7.943 1.00 0.00 C ATOM 1027 O ARG A 824 -5.678 5.450 -8.518 1.00 0.00 O ATOM 1028 CB ARG A 824 -8.598 7.154 -8.859 1.00 0.00 C ATOM 1029 CG ARG A 824 -8.352 7.701 -10.253 1.00 0.00 C ATOM 1030 CD ARG A 824 -7.576 9.005 -10.215 1.00 0.00 C ATOM 1031 NE ARG A 824 -6.457 8.988 -11.153 1.00 0.00 N ATOM 1032 CZ ARG A 824 -5.411 9.808 -11.086 1.00 0.00 C ATOM 1033 NH1 ARG A 824 -5.358 10.749 -10.153 1.00 0.00 N ATOM 1034 NH2 ARG A 824 -4.425 9.693 -11.966 1.00 0.00 N ATOM 0 H ARG A 824 -9.858 5.428 -7.635 1.00 0.00 H new ATOM 0 HA ARG A 824 -7.917 5.271 -9.632 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -9.670 7.156 -8.660 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -8.137 7.819 -8.129 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -7.801 6.966 -10.840 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -9.306 7.860 -10.755 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -8.242 9.833 -10.456 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -7.204 9.179 -9.205 1.00 0.00 H new ATOM 0 HE ARG A 824 -6.478 8.303 -11.909 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -6.121 10.846 -9.483 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -4.554 11.375 -10.105 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -4.470 8.977 -12.692 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -3.622 10.320 -11.917 1.00 0.00 H new ATOM 1048 N GLN A 825 -6.735 6.220 -6.683 1.00 0.00 N ATOM 1049 CA GLN A 825 -5.523 6.309 -5.881 1.00 0.00 C ATOM 1050 C GLN A 825 -4.909 4.928 -5.681 1.00 0.00 C ATOM 1051 O GLN A 825 -3.696 4.770 -5.752 1.00 0.00 O ATOM 1052 CB GLN A 825 -5.822 6.950 -4.525 1.00 0.00 C ATOM 1053 CG GLN A 825 -6.439 8.335 -4.627 1.00 0.00 C ATOM 1054 CD GLN A 825 -5.407 9.426 -4.835 1.00 0.00 C ATOM 1055 OE1 GLN A 825 -4.261 9.308 -4.402 1.00 0.00 O ATOM 1056 NE2 GLN A 825 -5.810 10.504 -5.487 1.00 0.00 N ATOM 0 H GLN A 825 -7.584 6.507 -6.196 1.00 0.00 H new ATOM 0 HA GLN A 825 -4.808 6.935 -6.415 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -6.497 6.301 -3.967 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -4.897 7.015 -3.952 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -7.149 8.351 -5.454 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -7.003 8.544 -3.718 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -6.769 10.564 -5.830 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -5.162 11.276 -5.646 1.00 0.00 H new ATOM 1065 N ALA A 826 -5.758 3.929 -5.454 1.00 0.00 N ATOM 1066 CA ALA A 826 -5.297 2.559 -5.241 1.00 0.00 C ATOM 1067 C ALA A 826 -4.517 2.043 -6.447 1.00 0.00 C ATOM 1068 O ALA A 826 -3.533 1.317 -6.296 1.00 0.00 O ATOM 1069 CB ALA A 826 -6.475 1.642 -4.941 1.00 0.00 C ATOM 0 H ALA A 826 -6.771 4.043 -5.413 1.00 0.00 H new ATOM 0 HA ALA A 826 -4.625 2.562 -4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -6.114 0.625 -4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -6.986 1.988 -4.042 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -7.170 1.656 -5.781 1.00 0.00 H new ATOM 1075 N ARG A 827 -4.954 2.428 -7.640 1.00 0.00 N ATOM 1076 CA ARG A 827 -4.274 2.036 -8.869 1.00 0.00 C ATOM 1077 C ARG A 827 -2.877 2.645 -8.922 1.00 0.00 C ATOM 1078 O ARG A 827 -1.908 1.980 -9.302 1.00 0.00 O ATOM 1079 CB ARG A 827 -5.086 2.474 -10.088 1.00 0.00 C ATOM 1080 CG ARG A 827 -6.290 1.589 -10.362 1.00 0.00 C ATOM 1081 CD ARG A 827 -7.155 2.155 -11.474 1.00 0.00 C ATOM 1082 NE ARG A 827 -6.917 1.482 -12.749 1.00 0.00 N ATOM 1083 CZ ARG A 827 -7.333 1.945 -13.926 1.00 0.00 C ATOM 1084 NH1 ARG A 827 -8.016 3.081 -13.995 1.00 0.00 N ATOM 1085 NH2 ARG A 827 -7.068 1.262 -15.032 1.00 0.00 N ATOM 0 H ARG A 827 -5.778 3.012 -7.783 1.00 0.00 H new ATOM 0 HA ARG A 827 -4.181 0.950 -8.881 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -5.425 3.499 -9.940 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -4.439 2.475 -10.965 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -5.953 0.589 -10.635 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -6.883 1.489 -9.453 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -8.206 2.056 -11.202 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -6.954 3.221 -11.583 1.00 0.00 H new ATOM 0 HE ARG A 827 -6.400 0.603 -12.737 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -8.224 3.603 -13.144 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -8.333 3.432 -14.899 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -6.548 0.386 -14.978 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -7.385 1.613 -15.936 1.00 0.00 H new ATOM 1099 N ILE A 828 -2.780 3.909 -8.527 1.00 0.00 N ATOM 1100 CA ILE A 828 -1.494 4.592 -8.443 1.00 0.00 C ATOM 1101 C ILE A 828 -0.653 3.990 -7.320 1.00 0.00 C ATOM 1102 O ILE A 828 0.562 3.842 -7.448 1.00 0.00 O ATOM 1103 CB ILE A 828 -1.670 6.108 -8.198 1.00 0.00 C ATOM 1104 CG1 ILE A 828 -2.601 6.719 -9.250 1.00 0.00 C ATOM 1105 CG2 ILE A 828 -0.321 6.816 -8.213 1.00 0.00 C ATOM 1106 CD1 ILE A 828 -3.496 7.813 -8.707 1.00 0.00 C ATOM 0 H ILE A 828 -3.579 4.483 -8.259 1.00 0.00 H new ATOM 0 HA ILE A 828 -0.986 4.457 -9.398 1.00 0.00 H new ATOM 0 HB ILE A 828 -2.120 6.243 -7.215 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -1.999 7.124 -10.064 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -3.222 5.931 -9.675 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -0.468 7.882 -8.039 1.00 0.00 H new ATOM 0 HG22 ILE A 828 0.315 6.404 -7.429 1.00 0.00 H new ATOM 0 HG23 ILE A 828 0.156 6.669 -9.182 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -4.127 8.198 -9.508 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -4.124 7.409 -7.913 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -2.882 8.621 -8.308 1.00 0.00 H new ATOM 1118 N LEU A 829 -1.320 3.637 -6.227 1.00 0.00 N ATOM 1119 CA LEU A 829 -0.677 3.005 -5.083 1.00 0.00 C ATOM 1120 C LEU A 829 0.021 1.717 -5.511 1.00 0.00 C ATOM 1121 O LEU A 829 1.195 1.509 -5.209 1.00 0.00 O ATOM 1122 CB LEU A 829 -1.731 2.719 -4.001 1.00 0.00 C ATOM 1123 CG LEU A 829 -1.330 1.747 -2.889 1.00 0.00 C ATOM 1124 CD1 LEU A 829 -0.115 2.263 -2.136 1.00 0.00 C ATOM 1125 CD2 LEU A 829 -2.494 1.541 -1.939 1.00 0.00 C ATOM 0 H LEU A 829 -2.323 3.782 -6.110 1.00 0.00 H new ATOM 0 HA LEU A 829 0.078 3.677 -4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -2.011 3.666 -3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -2.623 2.327 -4.490 1.00 0.00 H new ATOM 0 HG LEU A 829 -1.068 0.790 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 829 0.153 1.557 -1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 829 0.721 2.372 -2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -0.347 3.231 -1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -2.202 0.848 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -2.776 2.496 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -3.342 1.130 -2.487 1.00 0.00 H new ATOM 1137 N ALA A 830 -0.698 0.878 -6.242 1.00 0.00 N ATOM 1138 CA ALA A 830 -0.143 -0.374 -6.732 1.00 0.00 C ATOM 1139 C ALA A 830 1.032 -0.115 -7.668 1.00 0.00 C ATOM 1140 O ALA A 830 2.046 -0.813 -7.622 1.00 0.00 O ATOM 1141 CB ALA A 830 -1.217 -1.189 -7.436 1.00 0.00 C ATOM 0 H ALA A 830 -1.669 1.042 -6.509 1.00 0.00 H new ATOM 0 HA ALA A 830 0.223 -0.945 -5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -0.787 -2.123 -7.797 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -2.024 -1.408 -6.737 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -1.611 -0.621 -8.279 1.00 0.00 H new ATOM 1147 N GLN A 831 0.890 0.907 -8.501 1.00 0.00 N ATOM 1148 CA GLN A 831 1.924 1.280 -9.458 1.00 0.00 C ATOM 1149 C GLN A 831 3.187 1.758 -8.740 1.00 0.00 C ATOM 1150 O GLN A 831 4.301 1.346 -9.076 1.00 0.00 O ATOM 1151 CB GLN A 831 1.390 2.377 -10.383 1.00 0.00 C ATOM 1152 CG GLN A 831 2.352 2.784 -11.485 1.00 0.00 C ATOM 1153 CD GLN A 831 2.166 4.227 -11.906 1.00 0.00 C ATOM 1154 OE1 GLN A 831 1.101 4.613 -12.390 1.00 0.00 O ATOM 1155 NE2 GLN A 831 3.194 5.037 -11.716 1.00 0.00 N ATOM 0 H GLN A 831 0.060 1.498 -8.533 1.00 0.00 H new ATOM 0 HA GLN A 831 2.188 0.403 -10.050 1.00 0.00 H new ATOM 0 HB2 GLN A 831 0.460 2.034 -10.836 1.00 0.00 H new ATOM 0 HB3 GLN A 831 1.148 3.255 -9.785 1.00 0.00 H new ATOM 0 HG2 GLN A 831 3.376 2.637 -11.143 1.00 0.00 H new ATOM 0 HG3 GLN A 831 2.208 2.134 -12.348 1.00 0.00 H new ATOM 0 HE21 GLN A 831 4.059 4.677 -11.312 1.00 0.00 H new ATOM 0 HE22 GLN A 831 3.122 6.021 -11.973 1.00 0.00 H new ATOM 1164 N ALA A 832 3.000 2.613 -7.744 1.00 0.00 N ATOM 1165 CA ALA A 832 4.115 3.197 -7.010 1.00 0.00 C ATOM 1166 C ALA A 832 4.902 2.136 -6.247 1.00 0.00 C ATOM 1167 O ALA A 832 6.128 2.068 -6.360 1.00 0.00 O ATOM 1168 CB ALA A 832 3.611 4.273 -6.061 1.00 0.00 C ATOM 0 H ALA A 832 2.081 2.919 -7.424 1.00 0.00 H new ATOM 0 HA ALA A 832 4.792 3.650 -7.734 1.00 0.00 H new ATOM 0 HB1 ALA A 832 4.453 4.702 -5.518 1.00 0.00 H new ATOM 0 HB2 ALA A 832 3.110 5.055 -6.631 1.00 0.00 H new ATOM 0 HB3 ALA A 832 2.908 3.834 -5.353 1.00 0.00 H new ATOM 1174 N THR A 833 4.204 1.299 -5.485 1.00 0.00 N ATOM 1175 CA THR A 833 4.860 0.256 -4.707 1.00 0.00 C ATOM 1176 C THR A 833 5.588 -0.741 -5.608 1.00 0.00 C ATOM 1177 O THR A 833 6.618 -1.297 -5.220 1.00 0.00 O ATOM 1178 CB THR A 833 3.860 -0.498 -3.815 1.00 0.00 C ATOM 1179 OG1 THR A 833 2.905 0.418 -3.272 1.00 0.00 O ATOM 1180 CG2 THR A 833 4.582 -1.211 -2.682 1.00 0.00 C ATOM 0 H THR A 833 3.189 1.323 -5.391 1.00 0.00 H new ATOM 0 HA THR A 833 5.591 0.756 -4.071 1.00 0.00 H new ATOM 0 HB THR A 833 3.347 -1.241 -4.426 1.00 0.00 H new ATOM 0 HG1 THR A 833 2.241 0.643 -3.957 1.00 0.00 H new ATOM 0 HG21 THR A 833 3.856 -1.738 -2.063 1.00 0.00 H new ATOM 0 HG22 THR A 833 5.293 -1.926 -3.096 1.00 0.00 H new ATOM 0 HG23 THR A 833 5.115 -0.480 -2.074 1.00 0.00 H new ATOM 1188 N SER A 834 5.062 -0.957 -6.811 1.00 0.00 N ATOM 1189 CA SER A 834 5.701 -1.853 -7.764 1.00 0.00 C ATOM 1190 C SER A 834 7.111 -1.363 -8.087 1.00 0.00 C ATOM 1191 O SER A 834 8.064 -2.141 -8.076 1.00 0.00 O ATOM 1192 CB SER A 834 4.872 -1.958 -9.047 1.00 0.00 C ATOM 1193 OG SER A 834 3.606 -2.545 -8.791 1.00 0.00 O ATOM 0 H SER A 834 4.200 -0.526 -7.145 1.00 0.00 H new ATOM 0 HA SER A 834 5.766 -2.843 -7.313 1.00 0.00 H new ATOM 0 HB2 SER A 834 4.736 -0.966 -9.478 1.00 0.00 H new ATOM 0 HB3 SER A 834 5.410 -2.554 -9.784 1.00 0.00 H new ATOM 0 HG SER A 834 2.943 -1.839 -8.640 1.00 0.00 H new ATOM 1199 N ASP A 835 7.238 -0.063 -8.341 1.00 0.00 N ATOM 1200 CA ASP A 835 8.537 0.534 -8.632 1.00 0.00 C ATOM 1201 C ASP A 835 9.405 0.552 -7.381 1.00 0.00 C ATOM 1202 O ASP A 835 10.607 0.299 -7.447 1.00 0.00 O ATOM 1203 CB ASP A 835 8.375 1.959 -9.170 1.00 0.00 C ATOM 1204 CG ASP A 835 9.684 2.544 -9.675 1.00 0.00 C ATOM 1205 OD1 ASP A 835 10.216 2.033 -10.683 1.00 0.00 O ATOM 1206 OD2 ASP A 835 10.183 3.518 -9.071 1.00 0.00 O ATOM 0 H ASP A 835 6.459 0.595 -8.351 1.00 0.00 H new ATOM 0 HA ASP A 835 9.023 -0.074 -9.396 1.00 0.00 H new ATOM 0 HB2 ASP A 835 7.645 1.957 -9.980 1.00 0.00 H new ATOM 0 HB3 ASP A 835 7.975 2.598 -8.382 1.00 0.00 H new ATOM 1211 N LEU A 836 8.779 0.836 -6.243 1.00 0.00 N ATOM 1212 CA LEU A 836 9.483 0.900 -4.967 1.00 0.00 C ATOM 1213 C LEU A 836 10.132 -0.442 -4.632 1.00 0.00 C ATOM 1214 O LEU A 836 11.334 -0.511 -4.383 1.00 0.00 O ATOM 1215 CB LEU A 836 8.500 1.307 -3.856 1.00 0.00 C ATOM 1216 CG LEU A 836 8.995 1.127 -2.418 1.00 0.00 C ATOM 1217 CD1 LEU A 836 10.134 2.089 -2.126 1.00 0.00 C ATOM 1218 CD2 LEU A 836 7.860 1.345 -1.436 1.00 0.00 C ATOM 0 H LEU A 836 7.779 1.027 -6.179 1.00 0.00 H new ATOM 0 HA LEU A 836 10.274 1.646 -5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 836 8.236 2.355 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 836 7.585 0.728 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 836 9.362 0.107 -2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 836 10.475 1.949 -1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 836 10.959 1.895 -2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 836 9.787 3.114 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 836 8.229 1.213 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 836 7.468 2.355 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.067 0.623 -1.631 1.00 0.00 H new ATOM 1230 N VAL A 837 9.343 -1.508 -4.680 1.00 0.00 N ATOM 1231 CA VAL A 837 9.833 -2.840 -4.341 1.00 0.00 C ATOM 1232 C VAL A 837 10.853 -3.314 -5.372 1.00 0.00 C ATOM 1233 O VAL A 837 11.881 -3.897 -5.023 1.00 0.00 O ATOM 1234 CB VAL A 837 8.666 -3.851 -4.246 1.00 0.00 C ATOM 1235 CG1 VAL A 837 9.180 -5.275 -4.081 1.00 0.00 C ATOM 1236 CG2 VAL A 837 7.741 -3.479 -3.097 1.00 0.00 C ATOM 0 H VAL A 837 8.360 -1.477 -4.951 1.00 0.00 H new ATOM 0 HA VAL A 837 10.318 -2.781 -3.367 1.00 0.00 H new ATOM 0 HB VAL A 837 8.103 -3.808 -5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 837 8.336 -5.961 -4.017 1.00 0.00 H new ATOM 0 HG12 VAL A 837 9.799 -5.540 -4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 837 9.774 -5.344 -3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.924 -4.198 -3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 837 8.300 -3.491 -2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.336 -2.481 -3.265 1.00 0.00 H new ATOM 1246 N ASN A 838 10.569 -3.037 -6.637 1.00 0.00 N ATOM 1247 CA ASN A 838 11.462 -3.418 -7.727 1.00 0.00 C ATOM 1248 C ASN A 838 12.820 -2.737 -7.579 1.00 0.00 C ATOM 1249 O ASN A 838 13.862 -3.352 -7.809 1.00 0.00 O ATOM 1250 CB ASN A 838 10.839 -3.046 -9.072 1.00 0.00 C ATOM 1251 CG ASN A 838 11.593 -3.627 -10.250 1.00 0.00 C ATOM 1252 OD1 ASN A 838 11.557 -4.836 -10.490 1.00 0.00 O ATOM 1253 ND2 ASN A 838 12.271 -2.773 -10.998 1.00 0.00 N ATOM 0 H ASN A 838 9.725 -2.548 -6.936 1.00 0.00 H new ATOM 0 HA ASN A 838 11.609 -4.497 -7.686 1.00 0.00 H new ATOM 0 HB2 ASN A 838 9.807 -3.397 -9.098 1.00 0.00 H new ATOM 0 HB3 ASN A 838 10.809 -1.960 -9.165 1.00 0.00 H new ATOM 0 HD21 ASN A 838 12.791 -3.107 -11.809 1.00 0.00 H new ATOM 0 HD22 ASN A 838 12.274 -1.780 -10.764 1.00 0.00 H new ATOM 1260 N ALA A 839 12.798 -1.470 -7.179 1.00 0.00 N ATOM 1261 CA ALA A 839 14.023 -0.707 -6.984 1.00 0.00 C ATOM 1262 C ALA A 839 14.837 -1.278 -5.827 1.00 0.00 C ATOM 1263 O ALA A 839 16.061 -1.380 -5.912 1.00 0.00 O ATOM 1264 CB ALA A 839 13.703 0.758 -6.738 1.00 0.00 C ATOM 0 H ALA A 839 11.943 -0.950 -6.983 1.00 0.00 H new ATOM 0 HA ALA A 839 14.621 -0.783 -7.892 1.00 0.00 H new ATOM 0 HB1 ALA A 839 14.630 1.314 -6.594 1.00 0.00 H new ATOM 0 HB2 ALA A 839 13.167 1.162 -7.596 1.00 0.00 H new ATOM 0 HB3 ALA A 839 13.083 0.850 -5.846 1.00 0.00 H new ATOM 1270 N ILE A 840 14.145 -1.657 -4.755 1.00 0.00 N ATOM 1271 CA ILE A 840 14.789 -2.279 -3.602 1.00 0.00 C ATOM 1272 C ILE A 840 15.449 -3.592 -4.014 1.00 0.00 C ATOM 1273 O ILE A 840 16.594 -3.868 -3.651 1.00 0.00 O ATOM 1274 CB ILE A 840 13.775 -2.535 -2.458 1.00 0.00 C ATOM 1275 CG1 ILE A 840 13.436 -1.222 -1.754 1.00 0.00 C ATOM 1276 CG2 ILE A 840 14.317 -3.548 -1.454 1.00 0.00 C ATOM 1277 CD1 ILE A 840 11.968 -1.062 -1.428 1.00 0.00 C ATOM 0 H ILE A 840 13.136 -1.544 -4.661 1.00 0.00 H new ATOM 0 HA ILE A 840 15.550 -1.591 -3.233 1.00 0.00 H new ATOM 0 HB ILE A 840 12.868 -2.950 -2.897 1.00 0.00 H new ATOM 0 HG12 ILE A 840 14.012 -1.157 -0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 840 13.750 -0.391 -2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 840 13.583 -3.706 -0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 840 14.514 -4.493 -1.961 1.00 0.00 H new ATOM 0 HG23 ILE A 840 15.242 -3.170 -1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 840 11.808 -0.106 -0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 840 11.385 -1.094 -2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 840 11.651 -1.871 -0.770 1.00 0.00 H new ATOM 1289 N LYS A 841 14.724 -4.385 -4.797 1.00 0.00 N ATOM 1290 CA LYS A 841 15.246 -5.650 -5.300 1.00 0.00 C ATOM 1291 C LYS A 841 16.503 -5.424 -6.134 1.00 0.00 C ATOM 1292 O LYS A 841 17.457 -6.197 -6.062 1.00 0.00 O ATOM 1293 CB LYS A 841 14.187 -6.364 -6.145 1.00 0.00 C ATOM 1294 CG LYS A 841 14.446 -7.854 -6.314 1.00 0.00 C ATOM 1295 CD LYS A 841 14.109 -8.323 -7.722 1.00 0.00 C ATOM 1296 CE LYS A 841 15.088 -7.773 -8.749 1.00 0.00 C ATOM 1297 NZ LYS A 841 15.558 -8.822 -9.692 1.00 0.00 N ATOM 0 H LYS A 841 13.772 -4.173 -5.097 1.00 0.00 H new ATOM 0 HA LYS A 841 15.502 -6.274 -4.444 1.00 0.00 H new ATOM 0 HB2 LYS A 841 13.210 -6.224 -5.683 1.00 0.00 H new ATOM 0 HB3 LYS A 841 14.144 -5.897 -7.129 1.00 0.00 H new ATOM 0 HG2 LYS A 841 15.493 -8.069 -6.099 1.00 0.00 H new ATOM 0 HG3 LYS A 841 13.851 -8.412 -5.591 1.00 0.00 H new ATOM 0 HD2 LYS A 841 14.121 -9.412 -7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 841 13.098 -8.007 -7.978 1.00 0.00 H new ATOM 0 HE2 LYS A 841 14.611 -6.969 -9.310 1.00 0.00 H new ATOM 0 HE3 LYS A 841 15.945 -7.338 -8.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 15.694 -8.405 -10.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 16.460 -9.214 -9.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 14.849 -9.581 -9.748 1.00 0.00 H new ATOM 1311 N ALA A 842 16.495 -4.352 -6.917 1.00 0.00 N ATOM 1312 CA ALA A 842 17.621 -4.022 -7.777 1.00 0.00 C ATOM 1313 C ALA A 842 18.830 -3.575 -6.959 1.00 0.00 C ATOM 1314 O ALA A 842 19.967 -3.933 -7.274 1.00 0.00 O ATOM 1315 CB ALA A 842 17.227 -2.942 -8.773 1.00 0.00 C ATOM 0 H ALA A 842 15.717 -3.695 -6.973 1.00 0.00 H new ATOM 0 HA ALA A 842 17.901 -4.922 -8.325 1.00 0.00 H new ATOM 0 HB1 ALA A 842 18.080 -2.706 -9.410 1.00 0.00 H new ATOM 0 HB2 ALA A 842 16.402 -3.299 -9.389 1.00 0.00 H new ATOM 0 HB3 ALA A 842 16.917 -2.046 -8.235 1.00 0.00 H new ATOM 1321 N ASP A 843 18.584 -2.801 -5.908 1.00 0.00 N ATOM 1322 CA ASP A 843 19.667 -2.290 -5.071 1.00 0.00 C ATOM 1323 C ASP A 843 20.261 -3.397 -4.213 1.00 0.00 C ATOM 1324 O ASP A 843 21.477 -3.585 -4.183 1.00 0.00 O ATOM 1325 CB ASP A 843 19.178 -1.146 -4.177 1.00 0.00 C ATOM 1326 CG ASP A 843 20.132 0.033 -4.183 1.00 0.00 C ATOM 1327 OD1 ASP A 843 20.716 0.321 -5.252 1.00 0.00 O ATOM 1328 OD2 ASP A 843 20.303 0.679 -3.128 1.00 0.00 O ATOM 0 H ASP A 843 17.650 -2.514 -5.615 1.00 0.00 H new ATOM 0 HA ASP A 843 20.442 -1.908 -5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 843 18.195 -0.818 -4.515 1.00 0.00 H new ATOM 0 HB3 ASP A 843 19.059 -1.510 -3.156 1.00 0.00 H new ATOM 1333 N ALA A 844 19.395 -4.151 -3.545 1.00 0.00 N ATOM 1334 CA ALA A 844 19.829 -5.226 -2.654 1.00 0.00 C ATOM 1335 C ALA A 844 20.596 -6.310 -3.411 1.00 0.00 C ATOM 1336 O ALA A 844 21.326 -7.101 -2.811 1.00 0.00 O ATOM 1337 CB ALA A 844 18.632 -5.832 -1.939 1.00 0.00 C ATOM 0 H ALA A 844 18.383 -4.038 -3.603 1.00 0.00 H new ATOM 0 HA ALA A 844 20.506 -4.793 -1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 844 18.969 -6.631 -1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 844 18.131 -5.063 -1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 844 17.936 -6.237 -2.674 1.00 0.00 H new ATOM 1343 N GLU A 845 20.428 -6.339 -4.728 1.00 0.00 N ATOM 1344 CA GLU A 845 21.114 -7.306 -5.578 1.00 0.00 C ATOM 1345 C GLU A 845 22.617 -7.037 -5.618 1.00 0.00 C ATOM 1346 O GLU A 845 23.421 -7.959 -5.767 1.00 0.00 O ATOM 1347 CB GLU A 845 20.549 -7.254 -6.996 1.00 0.00 C ATOM 1348 CG GLU A 845 19.825 -8.521 -7.415 1.00 0.00 C ATOM 1349 CD GLU A 845 19.175 -8.393 -8.777 1.00 0.00 C ATOM 1350 OE1 GLU A 845 19.639 -7.568 -9.590 1.00 0.00 O ATOM 1351 OE2 GLU A 845 18.195 -9.120 -9.045 1.00 0.00 O ATOM 0 H GLU A 845 19.817 -5.698 -5.234 1.00 0.00 H new ATOM 0 HA GLU A 845 20.951 -8.297 -5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 845 19.861 -6.412 -7.072 1.00 0.00 H new ATOM 0 HB3 GLU A 845 21.364 -7.064 -7.695 1.00 0.00 H new ATOM 0 HG2 GLU A 845 20.531 -9.351 -7.429 1.00 0.00 H new ATOM 0 HG3 GLU A 845 19.063 -8.763 -6.674 1.00 0.00 H new ATOM 1358 N GLY A 846 22.991 -5.769 -5.485 1.00 0.00 N ATOM 1359 CA GLY A 846 24.395 -5.401 -5.531 1.00 0.00 C ATOM 1360 C GLY A 846 25.035 -5.410 -4.158 1.00 0.00 C ATOM 1361 O GLY A 846 26.254 -5.296 -4.028 1.00 0.00 O ATOM 0 H GLY A 846 22.348 -4.990 -5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 846 24.929 -6.092 -6.183 1.00 0.00 H new ATOM 0 HA3 GLY A 846 24.494 -4.408 -5.970 1.00 0.00 H new ATOM 1365 N GLU A 847 24.210 -5.555 -3.135 1.00 0.00 N ATOM 1366 CA GLU A 847 24.680 -5.551 -1.760 1.00 0.00 C ATOM 1367 C GLU A 847 25.307 -6.893 -1.391 1.00 0.00 C ATOM 1368 O GLU A 847 24.770 -7.955 -1.720 1.00 0.00 O ATOM 1369 CB GLU A 847 23.517 -5.235 -0.819 1.00 0.00 C ATOM 1370 CG GLU A 847 23.944 -4.904 0.602 1.00 0.00 C ATOM 1371 CD GLU A 847 25.264 -4.166 0.666 1.00 0.00 C ATOM 1372 OE1 GLU A 847 25.346 -3.022 0.177 1.00 0.00 O ATOM 1373 OE2 GLU A 847 26.232 -4.731 1.209 1.00 0.00 O ATOM 0 H GLU A 847 23.202 -5.678 -3.233 1.00 0.00 H new ATOM 0 HA GLU A 847 25.446 -4.783 -1.659 1.00 0.00 H new ATOM 0 HB2 GLU A 847 22.954 -4.394 -1.224 1.00 0.00 H new ATOM 0 HB3 GLU A 847 22.840 -6.089 -0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 847 23.172 -4.298 1.076 1.00 0.00 H new ATOM 0 HG3 GLU A 847 24.022 -5.827 1.176 1.00 0.00 H new ATOM 1380 N SER A 848 26.445 -6.838 -0.709 1.00 0.00 N ATOM 1381 CA SER A 848 27.123 -8.039 -0.248 1.00 0.00 C ATOM 1382 C SER A 848 26.567 -8.472 1.106 1.00 0.00 C ATOM 1383 O SER A 848 26.642 -9.645 1.475 1.00 0.00 O ATOM 1384 CB SER A 848 28.631 -7.791 -0.154 1.00 0.00 C ATOM 1385 OG SER A 848 29.008 -6.660 -0.931 1.00 0.00 O ATOM 0 H SER A 848 26.918 -5.968 -0.463 1.00 0.00 H new ATOM 0 HA SER A 848 26.947 -8.840 -0.966 1.00 0.00 H new ATOM 0 HB2 SER A 848 28.914 -7.633 0.887 1.00 0.00 H new ATOM 0 HB3 SER A 848 29.171 -8.672 -0.501 1.00 0.00 H new ATOM 0 HG SER A 848 29.975 -6.519 -0.855 1.00 0.00 H new ATOM 1391 N ASP A 849 26.012 -7.510 1.841 1.00 0.00 N ATOM 1392 CA ASP A 849 25.366 -7.788 3.120 1.00 0.00 C ATOM 1393 C ASP A 849 24.059 -8.540 2.894 1.00 0.00 C ATOM 1394 O ASP A 849 22.999 -7.930 2.734 1.00 0.00 O ATOM 1395 CB ASP A 849 25.094 -6.484 3.879 1.00 0.00 C ATOM 1396 CG ASP A 849 25.061 -6.672 5.385 1.00 0.00 C ATOM 1397 OD1 ASP A 849 24.384 -7.608 5.865 1.00 0.00 O ATOM 1398 OD2 ASP A 849 25.714 -5.880 6.102 1.00 0.00 O ATOM 0 H ASP A 849 25.998 -6.527 1.570 1.00 0.00 H new ATOM 0 HA ASP A 849 26.035 -8.407 3.718 1.00 0.00 H new ATOM 0 HB2 ASP A 849 25.864 -5.755 3.626 1.00 0.00 H new ATOM 0 HB3 ASP A 849 24.142 -6.069 3.549 1.00 0.00 H new ATOM 1403 N LEU A 850 24.142 -9.865 2.884 1.00 0.00 N ATOM 1404 CA LEU A 850 22.992 -10.710 2.587 1.00 0.00 C ATOM 1405 C LEU A 850 21.956 -10.650 3.699 1.00 0.00 C ATOM 1406 O LEU A 850 20.773 -10.890 3.467 1.00 0.00 O ATOM 1407 CB LEU A 850 23.435 -12.156 2.365 1.00 0.00 C ATOM 1408 CG LEU A 850 23.328 -12.658 0.923 1.00 0.00 C ATOM 1409 CD1 LEU A 850 21.871 -12.836 0.524 1.00 0.00 C ATOM 1410 CD2 LEU A 850 24.024 -11.700 -0.028 1.00 0.00 C ATOM 0 H LEU A 850 25.000 -10.380 3.080 1.00 0.00 H new ATOM 0 HA LEU A 850 22.532 -10.332 1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 850 24.470 -12.256 2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 850 22.835 -12.805 3.004 1.00 0.00 H new ATOM 0 HG LEU A 850 23.823 -13.627 0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 850 21.816 -13.193 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 850 21.399 -13.562 1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 850 21.353 -11.881 0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 850 23.938 -12.073 -1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 850 23.557 -10.717 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 850 25.077 -11.621 0.241 1.00 0.00 H new ATOM 1422 N GLU A 851 22.401 -10.340 4.904 1.00 0.00 N ATOM 1423 CA GLU A 851 21.488 -10.186 6.021 1.00 0.00 C ATOM 1424 C GLU A 851 20.646 -8.929 5.826 1.00 0.00 C ATOM 1425 O GLU A 851 19.418 -8.973 5.912 1.00 0.00 O ATOM 1426 CB GLU A 851 22.265 -10.122 7.340 1.00 0.00 C ATOM 1427 CG GLU A 851 21.483 -9.500 8.487 1.00 0.00 C ATOM 1428 CD GLU A 851 20.646 -10.509 9.247 1.00 0.00 C ATOM 1429 OE1 GLU A 851 20.156 -11.475 8.628 1.00 0.00 O ATOM 1430 OE2 GLU A 851 20.471 -10.339 10.470 1.00 0.00 O ATOM 0 H GLU A 851 23.384 -10.191 5.133 1.00 0.00 H new ATOM 0 HA GLU A 851 20.824 -11.049 6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 851 22.565 -11.131 7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 851 23.179 -9.550 7.184 1.00 0.00 H new ATOM 0 HG2 GLU A 851 22.178 -9.020 9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 851 20.833 -8.718 8.095 1.00 0.00 H new ATOM 1437 N ASN A 852 21.309 -7.814 5.529 1.00 0.00 N ATOM 1438 CA ASN A 852 20.610 -6.550 5.328 1.00 0.00 C ATOM 1439 C ASN A 852 19.731 -6.603 4.087 1.00 0.00 C ATOM 1440 O ASN A 852 18.609 -6.090 4.094 1.00 0.00 O ATOM 1441 CB ASN A 852 21.588 -5.382 5.204 1.00 0.00 C ATOM 1442 CG ASN A 852 20.864 -4.051 5.135 1.00 0.00 C ATOM 1443 OD1 ASN A 852 20.167 -3.662 6.073 1.00 0.00 O ATOM 1444 ND2 ASN A 852 21.010 -3.351 4.021 1.00 0.00 N ATOM 0 H ASN A 852 22.322 -7.761 5.423 1.00 0.00 H new ATOM 0 HA ASN A 852 19.984 -6.391 6.206 1.00 0.00 H new ATOM 0 HB2 ASN A 852 22.267 -5.383 6.057 1.00 0.00 H new ATOM 0 HB3 ASN A 852 22.198 -5.511 4.310 1.00 0.00 H new ATOM 0 HD21 ASN A 852 20.536 -2.454 3.917 1.00 0.00 H new ATOM 0 HD22 ASN A 852 21.597 -3.709 3.267 1.00 0.00 H new ATOM 1451 N SER A 853 20.237 -7.220 3.023 1.00 0.00 N ATOM 1452 CA SER A 853 19.471 -7.346 1.794 1.00 0.00 C ATOM 1453 C SER A 853 18.215 -8.172 2.050 1.00 0.00 C ATOM 1454 O SER A 853 17.137 -7.847 1.557 1.00 0.00 O ATOM 1455 CB SER A 853 20.326 -7.967 0.678 1.00 0.00 C ATOM 1456 OG SER A 853 20.585 -9.339 0.910 1.00 0.00 O ATOM 0 H SER A 853 21.167 -7.637 2.990 1.00 0.00 H new ATOM 0 HA SER A 853 19.171 -6.352 1.462 1.00 0.00 H new ATOM 0 HB2 SER A 853 19.815 -7.851 -0.278 1.00 0.00 H new ATOM 0 HB3 SER A 853 21.270 -7.428 0.602 1.00 0.00 H new ATOM 0 HG SER A 853 21.130 -9.697 0.178 1.00 0.00 H new ATOM 1462 N ARG A 854 18.353 -9.216 2.860 1.00 0.00 N ATOM 1463 CA ARG A 854 17.220 -10.044 3.241 1.00 0.00 C ATOM 1464 C ARG A 854 16.158 -9.203 3.940 1.00 0.00 C ATOM 1465 O ARG A 854 14.976 -9.289 3.611 1.00 0.00 O ATOM 1466 CB ARG A 854 17.676 -11.180 4.153 1.00 0.00 C ATOM 1467 CG ARG A 854 17.976 -12.468 3.405 1.00 0.00 C ATOM 1468 CD ARG A 854 17.020 -13.574 3.810 1.00 0.00 C ATOM 1469 NE ARG A 854 15.643 -13.266 3.423 1.00 0.00 N ATOM 1470 CZ ARG A 854 14.567 -13.631 4.120 1.00 0.00 C ATOM 1471 NH1 ARG A 854 14.690 -14.344 5.231 1.00 0.00 N ATOM 1472 NH2 ARG A 854 13.355 -13.287 3.702 1.00 0.00 N ATOM 0 H ARG A 854 19.242 -9.508 3.265 1.00 0.00 H new ATOM 0 HA ARG A 854 16.786 -10.473 2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 854 18.569 -10.866 4.694 1.00 0.00 H new ATOM 0 HB3 ARG A 854 16.903 -11.372 4.897 1.00 0.00 H new ATOM 0 HG2 ARG A 854 17.901 -12.294 2.332 1.00 0.00 H new ATOM 0 HG3 ARG A 854 19.001 -12.778 3.607 1.00 0.00 H new ATOM 0 HD2 ARG A 854 17.328 -14.510 3.345 1.00 0.00 H new ATOM 0 HD3 ARG A 854 17.071 -13.722 4.889 1.00 0.00 H new ATOM 0 HE ARG A 854 15.497 -12.737 2.563 1.00 0.00 H new ATOM 0 HH11 ARG A 854 15.615 -14.619 5.561 1.00 0.00 H new ATOM 0 HH12 ARG A 854 13.859 -14.617 5.756 1.00 0.00 H new ATOM 0 HH21 ARG A 854 13.246 -12.743 2.846 1.00 0.00 H new ATOM 0 HH22 ARG A 854 12.533 -13.567 4.236 1.00 0.00 H new ATOM 1486 N LYS A 855 16.593 -8.372 4.887 1.00 0.00 N ATOM 1487 CA LYS A 855 15.690 -7.453 5.581 1.00 0.00 C ATOM 1488 C LYS A 855 15.010 -6.533 4.582 1.00 0.00 C ATOM 1489 O LYS A 855 13.807 -6.282 4.656 1.00 0.00 O ATOM 1490 CB LYS A 855 16.456 -6.594 6.592 1.00 0.00 C ATOM 1491 CG LYS A 855 17.316 -7.392 7.559 1.00 0.00 C ATOM 1492 CD LYS A 855 16.487 -8.391 8.349 1.00 0.00 C ATOM 1493 CE LYS A 855 16.952 -8.484 9.792 1.00 0.00 C ATOM 1494 NZ LYS A 855 16.916 -9.880 10.300 1.00 0.00 N ATOM 0 H LYS A 855 17.565 -8.316 5.191 1.00 0.00 H new ATOM 0 HA LYS A 855 14.946 -8.052 6.106 1.00 0.00 H new ATOM 0 HB2 LYS A 855 17.092 -5.894 6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 855 15.742 -6.000 7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 855 18.093 -7.920 7.006 1.00 0.00 H new ATOM 0 HG3 LYS A 855 17.820 -6.712 8.246 1.00 0.00 H new ATOM 0 HD2 LYS A 855 15.438 -8.096 8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 855 16.555 -9.373 7.880 1.00 0.00 H new ATOM 0 HE2 LYS A 855 17.967 -8.095 9.871 1.00 0.00 H new ATOM 0 HE3 LYS A 855 16.320 -7.854 10.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 855 17.241 -9.898 11.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 855 15.943 -10.243 10.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 855 17.539 -10.477 9.719 1.00 0.00 H new ATOM 1508 N LEU A 856 15.802 -6.054 3.641 1.00 0.00 N ATOM 1509 CA LEU A 856 15.350 -5.104 2.639 1.00 0.00 C ATOM 1510 C LEU A 856 14.203 -5.665 1.821 1.00 0.00 C ATOM 1511 O LEU A 856 13.157 -5.035 1.667 1.00 0.00 O ATOM 1512 CB LEU A 856 16.522 -4.794 1.716 1.00 0.00 C ATOM 1513 CG LEU A 856 17.311 -3.543 2.089 1.00 0.00 C ATOM 1514 CD1 LEU A 856 18.664 -3.539 1.397 1.00 0.00 C ATOM 1515 CD2 LEU A 856 16.524 -2.286 1.750 1.00 0.00 C ATOM 0 H LEU A 856 16.784 -6.314 3.549 1.00 0.00 H new ATOM 0 HA LEU A 856 14.994 -4.203 3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 856 17.200 -5.647 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 856 16.146 -4.681 0.699 1.00 0.00 H new ATOM 0 HG LEU A 856 17.479 -3.553 3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 856 19.212 -2.639 1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 856 19.231 -4.418 1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 856 18.520 -3.557 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 856 17.107 -1.407 2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 856 16.317 -2.264 0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 856 15.584 -2.285 2.302 1.00 0.00 H new ATOM 1527 N LEU A 857 14.407 -6.867 1.326 1.00 0.00 N ATOM 1528 CA LEU A 857 13.440 -7.518 0.470 1.00 0.00 C ATOM 1529 C LEU A 857 12.254 -8.050 1.269 1.00 0.00 C ATOM 1530 O LEU A 857 11.168 -8.248 0.726 1.00 0.00 O ATOM 1531 CB LEU A 857 14.141 -8.605 -0.330 1.00 0.00 C ATOM 1532 CG LEU A 857 15.399 -8.108 -1.054 1.00 0.00 C ATOM 1533 CD1 LEU A 857 16.458 -9.202 -1.111 1.00 0.00 C ATOM 1534 CD2 LEU A 857 15.048 -7.639 -2.454 1.00 0.00 C ATOM 0 H LEU A 857 15.246 -7.419 1.505 1.00 0.00 H new ATOM 0 HA LEU A 857 13.023 -6.792 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 857 14.414 -9.421 0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 857 13.445 -9.013 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 857 15.808 -7.267 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 857 17.341 -8.827 -1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 857 16.730 -9.498 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 857 16.062 -10.064 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 857 15.949 -7.289 -2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 857 14.616 -8.466 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 857 14.326 -6.825 -2.395 1.00 0.00 H new ATOM 1546 N SER A 858 12.462 -8.271 2.561 1.00 0.00 N ATOM 1547 CA SER A 858 11.379 -8.679 3.442 1.00 0.00 C ATOM 1548 C SER A 858 10.449 -7.502 3.704 1.00 0.00 C ATOM 1549 O SER A 858 9.227 -7.638 3.652 1.00 0.00 O ATOM 1550 CB SER A 858 11.929 -9.220 4.760 1.00 0.00 C ATOM 1551 OG SER A 858 12.766 -10.345 4.540 1.00 0.00 O ATOM 0 H SER A 858 13.368 -8.175 3.019 1.00 0.00 H new ATOM 0 HA SER A 858 10.817 -9.475 2.953 1.00 0.00 H new ATOM 0 HB2 SER A 858 12.491 -8.439 5.271 1.00 0.00 H new ATOM 0 HB3 SER A 858 11.104 -9.499 5.415 1.00 0.00 H new ATOM 0 HG SER A 858 13.635 -10.045 4.200 1.00 0.00 H new ATOM 1557 N ALA A 859 11.038 -6.339 3.968 1.00 0.00 N ATOM 1558 CA ALA A 859 10.268 -5.120 4.168 1.00 0.00 C ATOM 1559 C ALA A 859 9.520 -4.750 2.893 1.00 0.00 C ATOM 1560 O ALA A 859 8.364 -4.328 2.935 1.00 0.00 O ATOM 1561 CB ALA A 859 11.182 -3.983 4.601 1.00 0.00 C ATOM 0 H ALA A 859 12.048 -6.217 4.048 1.00 0.00 H new ATOM 0 HA ALA A 859 9.537 -5.295 4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 859 10.593 -3.078 4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 859 11.676 -4.249 5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 859 11.933 -3.807 3.831 1.00 0.00 H new ATOM 1567 N ALA A 860 10.187 -4.931 1.758 1.00 0.00 N ATOM 1568 CA ALA A 860 9.577 -4.683 0.459 1.00 0.00 C ATOM 1569 C ALA A 860 8.426 -5.654 0.208 1.00 0.00 C ATOM 1570 O ALA A 860 7.443 -5.312 -0.449 1.00 0.00 O ATOM 1571 CB ALA A 860 10.620 -4.792 -0.642 1.00 0.00 C ATOM 0 H ALA A 860 11.155 -5.250 1.713 1.00 0.00 H new ATOM 0 HA ALA A 860 9.173 -3.671 0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 860 10.151 -4.604 -1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 860 11.407 -4.057 -0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 860 11.051 -5.793 -0.637 1.00 0.00 H new ATOM 1577 N LYS A 861 8.553 -6.866 0.739 1.00 0.00 N ATOM 1578 CA LYS A 861 7.498 -7.862 0.628 1.00 0.00 C ATOM 1579 C LYS A 861 6.244 -7.392 1.354 1.00 0.00 C ATOM 1580 O LYS A 861 5.131 -7.550 0.851 1.00 0.00 O ATOM 1581 CB LYS A 861 7.960 -9.205 1.197 1.00 0.00 C ATOM 1582 CG LYS A 861 7.273 -10.401 0.559 1.00 0.00 C ATOM 1583 CD LYS A 861 8.041 -10.903 -0.653 1.00 0.00 C ATOM 1584 CE LYS A 861 9.338 -11.578 -0.245 1.00 0.00 C ATOM 1585 NZ LYS A 861 9.707 -12.675 -1.175 1.00 0.00 N ATOM 0 H LYS A 861 9.378 -7.180 1.250 1.00 0.00 H new ATOM 0 HA LYS A 861 7.265 -7.994 -0.429 1.00 0.00 H new ATOM 0 HB2 LYS A 861 9.037 -9.298 1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 861 7.774 -9.219 2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 861 7.182 -11.203 1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 861 6.261 -10.125 0.261 1.00 0.00 H new ATOM 0 HD2 LYS A 861 7.423 -11.606 -1.212 1.00 0.00 H new ATOM 0 HD3 LYS A 861 8.257 -10.069 -1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 861 10.139 -10.839 -0.219 1.00 0.00 H new ATOM 0 HE3 LYS A 861 9.238 -11.976 0.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 10.598 -13.110 -0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 8.954 -13.393 -1.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 9.827 -12.291 -2.134 1.00 0.00 H new ATOM 1599 N ILE A 862 6.430 -6.800 2.531 1.00 0.00 N ATOM 1600 CA ILE A 862 5.315 -6.235 3.282 1.00 0.00 C ATOM 1601 C ILE A 862 4.668 -5.112 2.484 1.00 0.00 C ATOM 1602 O ILE A 862 3.444 -5.014 2.416 1.00 0.00 O ATOM 1603 CB ILE A 862 5.749 -5.681 4.656 1.00 0.00 C ATOM 1604 CG1 ILE A 862 6.746 -6.619 5.335 1.00 0.00 C ATOM 1605 CG2 ILE A 862 4.534 -5.470 5.549 1.00 0.00 C ATOM 1606 CD1 ILE A 862 7.532 -5.955 6.444 1.00 0.00 C ATOM 0 H ILE A 862 7.339 -6.700 2.983 1.00 0.00 H new ATOM 0 HA ILE A 862 4.606 -7.045 3.453 1.00 0.00 H new ATOM 0 HB ILE A 862 6.240 -4.721 4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 862 6.209 -7.476 5.742 1.00 0.00 H new ATOM 0 HG13 ILE A 862 7.440 -7.004 4.587 1.00 0.00 H new ATOM 0 HG21 ILE A 862 4.855 -5.079 6.514 1.00 0.00 H new ATOM 0 HG22 ILE A 862 3.855 -4.759 5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 862 4.020 -6.420 5.695 1.00 0.00 H new ATOM 0 HD11 ILE A 862 8.221 -6.676 6.884 1.00 0.00 H new ATOM 0 HD12 ILE A 862 8.096 -5.115 6.038 1.00 0.00 H new ATOM 0 HD13 ILE A 862 6.846 -5.595 7.211 1.00 0.00 H new ATOM 1618 N LEU A 863 5.506 -4.279 1.874 1.00 0.00 N ATOM 1619 CA LEU A 863 5.037 -3.186 1.030 1.00 0.00 C ATOM 1620 C LEU A 863 4.110 -3.712 -0.062 1.00 0.00 C ATOM 1621 O LEU A 863 2.973 -3.261 -0.198 1.00 0.00 O ATOM 1622 CB LEU A 863 6.226 -2.468 0.382 1.00 0.00 C ATOM 1623 CG LEU A 863 6.576 -1.090 0.954 1.00 0.00 C ATOM 1624 CD1 LEU A 863 5.319 -0.286 1.253 1.00 0.00 C ATOM 1625 CD2 LEU A 863 7.427 -1.240 2.204 1.00 0.00 C ATOM 0 H LEU A 863 6.521 -4.342 1.950 1.00 0.00 H new ATOM 0 HA LEU A 863 4.488 -2.484 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 863 7.103 -3.109 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 863 6.020 -2.355 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 863 7.150 -0.545 0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 863 5.597 0.687 1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 863 4.749 -0.147 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 863 4.710 -0.821 1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 863 7.669 -0.254 2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 863 6.875 -1.807 2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.348 -1.767 1.956 1.00 0.00 H new ATOM 1637 N ALA A 864 4.606 -4.682 -0.822 1.00 0.00 N ATOM 1638 CA ALA A 864 3.862 -5.250 -1.941 1.00 0.00 C ATOM 1639 C ALA A 864 2.583 -5.943 -1.476 1.00 0.00 C ATOM 1640 O ALA A 864 1.503 -5.701 -2.020 1.00 0.00 O ATOM 1641 CB ALA A 864 4.737 -6.226 -2.713 1.00 0.00 C ATOM 0 H ALA A 864 5.528 -5.095 -0.682 1.00 0.00 H new ATOM 0 HA ALA A 864 3.574 -4.429 -2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 864 4.170 -6.643 -3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 864 5.614 -5.704 -3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 864 5.055 -7.032 -2.051 1.00 0.00 H new ATOM 1647 N ASP A 865 2.711 -6.791 -0.463 1.00 0.00 N ATOM 1648 CA ASP A 865 1.579 -7.569 0.036 1.00 0.00 C ATOM 1649 C ASP A 865 0.478 -6.662 0.568 1.00 0.00 C ATOM 1650 O ASP A 865 -0.704 -6.853 0.261 1.00 0.00 O ATOM 1651 CB ASP A 865 2.036 -8.531 1.133 1.00 0.00 C ATOM 1652 CG ASP A 865 1.161 -9.765 1.217 1.00 0.00 C ATOM 1653 OD1 ASP A 865 0.105 -9.709 1.884 1.00 0.00 O ATOM 1654 OD2 ASP A 865 1.525 -10.800 0.621 1.00 0.00 O ATOM 0 H ASP A 865 3.587 -6.959 0.031 1.00 0.00 H new ATOM 0 HA ASP A 865 1.176 -8.143 -0.798 1.00 0.00 H new ATOM 0 HB2 ASP A 865 3.067 -8.831 0.944 1.00 0.00 H new ATOM 0 HB3 ASP A 865 2.026 -8.015 2.093 1.00 0.00 H new ATOM 1659 N ALA A 866 0.868 -5.665 1.354 1.00 0.00 N ATOM 1660 CA ALA A 866 -0.083 -4.721 1.919 1.00 0.00 C ATOM 1661 C ALA A 866 -0.757 -3.911 0.820 1.00 0.00 C ATOM 1662 O ALA A 866 -1.946 -3.604 0.905 1.00 0.00 O ATOM 1663 CB ALA A 866 0.606 -3.801 2.913 1.00 0.00 C ATOM 0 H ALA A 866 1.839 -5.491 1.614 1.00 0.00 H new ATOM 0 HA ALA A 866 -0.852 -5.286 2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -0.121 -3.101 3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 866 1.037 -4.394 3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 866 1.397 -3.247 2.408 1.00 0.00 H new ATOM 1669 N THR A 867 0.001 -3.584 -0.219 1.00 0.00 N ATOM 1670 CA THR A 867 -0.529 -2.820 -1.338 1.00 0.00 C ATOM 1671 C THR A 867 -1.660 -3.581 -2.029 1.00 0.00 C ATOM 1672 O THR A 867 -2.681 -2.995 -2.387 1.00 0.00 O ATOM 1673 CB THR A 867 0.578 -2.480 -2.356 1.00 0.00 C ATOM 1674 OG1 THR A 867 1.561 -1.642 -1.738 1.00 0.00 O ATOM 1675 CG2 THR A 867 0.007 -1.774 -3.576 1.00 0.00 C ATOM 0 H THR A 867 0.985 -3.837 -0.309 1.00 0.00 H new ATOM 0 HA THR A 867 -0.927 -1.887 -0.939 1.00 0.00 H new ATOM 0 HB THR A 867 1.036 -3.414 -2.682 1.00 0.00 H new ATOM 0 HG1 THR A 867 1.895 -2.075 -0.924 1.00 0.00 H new ATOM 0 HG21 THR A 867 0.812 -1.547 -4.275 1.00 0.00 H new ATOM 0 HG22 THR A 867 -0.724 -2.420 -4.061 1.00 0.00 H new ATOM 0 HG23 THR A 867 -0.477 -0.847 -3.267 1.00 0.00 H new ATOM 1683 N ALA A 868 -1.488 -4.891 -2.192 1.00 0.00 N ATOM 1684 CA ALA A 868 -2.526 -5.716 -2.798 1.00 0.00 C ATOM 1685 C ALA A 868 -3.753 -5.784 -1.900 1.00 0.00 C ATOM 1686 O ALA A 868 -4.884 -5.821 -2.382 1.00 0.00 O ATOM 1687 CB ALA A 868 -2.015 -7.117 -3.082 1.00 0.00 C ATOM 0 H ALA A 868 -0.648 -5.399 -1.915 1.00 0.00 H new ATOM 0 HA ALA A 868 -2.806 -5.252 -3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -2.810 -7.710 -3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -1.169 -7.064 -3.767 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -1.699 -7.585 -2.150 1.00 0.00 H new ATOM 1693 N LYS A 869 -3.525 -5.807 -0.593 1.00 0.00 N ATOM 1694 CA LYS A 869 -4.617 -5.791 0.370 1.00 0.00 C ATOM 1695 C LYS A 869 -5.383 -4.481 0.254 1.00 0.00 C ATOM 1696 O LYS A 869 -6.613 -4.460 0.282 1.00 0.00 O ATOM 1697 CB LYS A 869 -4.081 -5.959 1.795 1.00 0.00 C ATOM 1698 CG LYS A 869 -3.991 -7.407 2.245 1.00 0.00 C ATOM 1699 CD LYS A 869 -3.548 -7.515 3.695 1.00 0.00 C ATOM 1700 CE LYS A 869 -4.617 -8.167 4.557 1.00 0.00 C ATOM 1701 NZ LYS A 869 -4.107 -8.512 5.910 1.00 0.00 N ATOM 0 H LYS A 869 -2.594 -5.837 -0.176 1.00 0.00 H new ATOM 0 HA LYS A 869 -5.287 -6.623 0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -3.092 -5.506 1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -4.726 -5.413 2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -4.962 -7.887 2.124 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -3.288 -7.944 1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -2.628 -8.096 3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -3.322 -6.522 4.083 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -5.468 -7.492 4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -4.979 -9.070 4.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -4.867 -8.954 6.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -3.311 -9.176 5.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -3.785 -7.648 6.391 1.00 0.00 H new ATOM 1715 N MET A 870 -4.633 -3.398 0.100 1.00 0.00 N ATOM 1716 CA MET A 870 -5.208 -2.067 -0.038 1.00 0.00 C ATOM 1717 C MET A 870 -5.953 -1.926 -1.359 1.00 0.00 C ATOM 1718 O MET A 870 -7.107 -1.494 -1.387 1.00 0.00 O ATOM 1719 CB MET A 870 -4.110 -1.006 0.055 1.00 0.00 C ATOM 1720 CG MET A 870 -4.454 0.144 0.984 1.00 0.00 C ATOM 1721 SD MET A 870 -6.228 0.435 1.115 1.00 0.00 S ATOM 1722 CE MET A 870 -6.415 1.783 -0.039 1.00 0.00 C ATOM 0 H MET A 870 -3.614 -3.417 0.067 1.00 0.00 H new ATOM 0 HA MET A 870 -5.920 -1.921 0.775 1.00 0.00 H new ATOM 0 HB2 MET A 870 -3.189 -1.477 0.399 1.00 0.00 H new ATOM 0 HB3 MET A 870 -3.913 -0.611 -0.941 1.00 0.00 H new ATOM 0 HG2 MET A 870 -4.051 -0.064 1.975 1.00 0.00 H new ATOM 0 HG3 MET A 870 -3.968 1.051 0.626 1.00 0.00 H new ATOM 0 HE1 MET A 870 -7.432 1.788 -0.431 1.00 0.00 H new ATOM 0 HE2 MET A 870 -6.217 2.727 0.469 1.00 0.00 H new ATOM 0 HE3 MET A 870 -5.710 1.658 -0.861 1.00 0.00 H new ATOM 1732 N VAL A 871 -5.296 -2.299 -2.452 1.00 0.00 N ATOM 1733 CA VAL A 871 -5.893 -2.185 -3.774 1.00 0.00 C ATOM 1734 C VAL A 871 -7.169 -3.024 -3.865 1.00 0.00 C ATOM 1735 O VAL A 871 -8.162 -2.595 -4.449 1.00 0.00 O ATOM 1736 CB VAL A 871 -4.884 -2.570 -4.896 1.00 0.00 C ATOM 1737 CG1 VAL A 871 -5.013 -4.027 -5.325 1.00 0.00 C ATOM 1738 CG2 VAL A 871 -5.052 -1.652 -6.096 1.00 0.00 C ATOM 0 H VAL A 871 -4.351 -2.682 -2.447 1.00 0.00 H new ATOM 0 HA VAL A 871 -6.161 -1.140 -3.928 1.00 0.00 H new ATOM 0 HB VAL A 871 -3.884 -2.446 -4.480 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -4.287 -4.241 -6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -4.826 -4.676 -4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -6.019 -4.207 -5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -4.340 -1.933 -6.872 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -6.066 -1.743 -6.484 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -4.870 -0.621 -5.793 1.00 0.00 H new ATOM 1748 N GLU A 872 -7.152 -4.196 -3.240 1.00 0.00 N ATOM 1749 CA GLU A 872 -8.301 -5.083 -3.256 1.00 0.00 C ATOM 1750 C GLU A 872 -9.413 -4.549 -2.354 1.00 0.00 C ATOM 1751 O GLU A 872 -10.596 -4.720 -2.646 1.00 0.00 O ATOM 1752 CB GLU A 872 -7.885 -6.494 -2.830 1.00 0.00 C ATOM 1753 CG GLU A 872 -8.293 -7.580 -3.816 1.00 0.00 C ATOM 1754 CD GLU A 872 -8.989 -7.035 -5.051 1.00 0.00 C ATOM 1755 OE1 GLU A 872 -8.298 -6.720 -6.045 1.00 0.00 O ATOM 1756 OE2 GLU A 872 -10.230 -6.929 -5.036 1.00 0.00 O ATOM 0 H GLU A 872 -6.352 -4.551 -2.716 1.00 0.00 H new ATOM 0 HA GLU A 872 -8.689 -5.128 -4.274 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -6.803 -6.520 -2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -8.326 -6.715 -1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -7.407 -8.136 -4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -8.955 -8.286 -3.315 1.00 0.00 H new ATOM 1763 N ALA A 873 -9.031 -3.890 -1.266 1.00 0.00 N ATOM 1764 CA ALA A 873 -10.002 -3.297 -0.357 1.00 0.00 C ATOM 1765 C ALA A 873 -10.720 -2.137 -1.029 1.00 0.00 C ATOM 1766 O ALA A 873 -11.942 -2.015 -0.943 1.00 0.00 O ATOM 1767 CB ALA A 873 -9.325 -2.832 0.923 1.00 0.00 C ATOM 0 H ALA A 873 -8.058 -3.754 -0.993 1.00 0.00 H new ATOM 0 HA ALA A 873 -10.738 -4.058 -0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -10.068 -2.392 1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -8.855 -3.683 1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -8.566 -2.087 0.683 1.00 0.00 H new ATOM 1773 N ALA A 874 -9.953 -1.295 -1.714 1.00 0.00 N ATOM 1774 CA ALA A 874 -10.513 -0.153 -2.421 1.00 0.00 C ATOM 1775 C ALA A 874 -11.406 -0.608 -3.570 1.00 0.00 C ATOM 1776 O ALA A 874 -12.496 -0.072 -3.772 1.00 0.00 O ATOM 1777 CB ALA A 874 -9.402 0.748 -2.938 1.00 0.00 C ATOM 0 H ALA A 874 -8.940 -1.384 -1.793 1.00 0.00 H new ATOM 0 HA ALA A 874 -11.125 0.414 -1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -9.838 1.597 -3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -8.806 1.108 -2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -8.766 0.185 -3.621 1.00 0.00 H new ATOM 1783 N LYS A 875 -10.945 -1.610 -4.313 1.00 0.00 N ATOM 1784 CA LYS A 875 -11.707 -2.152 -5.432 1.00 0.00 C ATOM 1785 C LYS A 875 -12.987 -2.825 -4.941 1.00 0.00 C ATOM 1786 O LYS A 875 -14.030 -2.751 -5.591 1.00 0.00 O ATOM 1787 CB LYS A 875 -10.862 -3.155 -6.222 1.00 0.00 C ATOM 1788 CG LYS A 875 -10.151 -2.547 -7.423 1.00 0.00 C ATOM 1789 CD LYS A 875 -8.678 -2.926 -7.449 1.00 0.00 C ATOM 1790 CE LYS A 875 -8.364 -3.887 -8.584 1.00 0.00 C ATOM 1791 NZ LYS A 875 -8.772 -5.282 -8.266 1.00 0.00 N ATOM 0 H LYS A 875 -10.045 -2.064 -4.159 1.00 0.00 H new ATOM 0 HA LYS A 875 -11.977 -1.324 -6.087 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -10.119 -3.595 -5.556 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -11.504 -3.967 -6.564 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -10.631 -2.885 -8.341 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -10.248 -1.462 -7.394 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -8.073 -2.026 -7.556 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -8.403 -3.383 -6.499 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -8.875 -3.558 -9.489 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -7.295 -3.862 -8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -8.335 -5.935 -8.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -8.459 -5.524 -7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -9.807 -5.363 -8.324 1.00 0.00 H new ATOM 1805 N GLY A 876 -12.901 -3.467 -3.782 1.00 0.00 N ATOM 1806 CA GLY A 876 -14.057 -4.130 -3.203 1.00 0.00 C ATOM 1807 C GLY A 876 -15.015 -3.158 -2.538 1.00 0.00 C ATOM 1808 O GLY A 876 -16.044 -3.559 -1.992 1.00 0.00 O ATOM 0 H GLY A 876 -12.047 -3.541 -3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -14.585 -4.679 -3.983 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -13.721 -4.863 -2.469 1.00 0.00 H new ATOM 1812 N ALA A 877 -14.677 -1.878 -2.583 1.00 0.00 N ATOM 1813 CA ALA A 877 -15.520 -0.842 -2.009 1.00 0.00 C ATOM 1814 C ALA A 877 -15.983 0.129 -3.089 1.00 0.00 C ATOM 1815 O ALA A 877 -16.598 1.153 -2.799 1.00 0.00 O ATOM 1816 CB ALA A 877 -14.772 -0.105 -0.912 1.00 0.00 C ATOM 0 H ALA A 877 -13.820 -1.531 -3.014 1.00 0.00 H new ATOM 0 HA ALA A 877 -16.401 -1.312 -1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 877 -15.414 0.668 -0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 877 -14.489 -0.808 -0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 877 -13.876 0.355 -1.328 1.00 0.00 H new ATOM 1822 N ALA A 878 -15.695 -0.210 -4.341 1.00 0.00 N ATOM 1823 CA ALA A 878 -16.069 0.631 -5.472 1.00 0.00 C ATOM 1824 C ALA A 878 -17.585 0.679 -5.634 1.00 0.00 C ATOM 1825 O ALA A 878 -18.140 1.656 -6.142 1.00 0.00 O ATOM 1826 CB ALA A 878 -15.414 0.124 -6.749 1.00 0.00 C ATOM 0 H ALA A 878 -15.202 -1.065 -4.599 1.00 0.00 H new ATOM 0 HA ALA A 878 -15.715 1.643 -5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 878 -15.703 0.762 -7.584 1.00 0.00 H new ATOM 0 HB2 ALA A 878 -14.330 0.144 -6.635 1.00 0.00 H new ATOM 0 HB3 ALA A 878 -15.739 -0.898 -6.944 1.00 0.00 H new ATOM 1832 N ALA A 879 -18.248 -0.384 -5.202 1.00 0.00 N ATOM 1833 CA ALA A 879 -19.699 -0.462 -5.266 1.00 0.00 C ATOM 1834 C ALA A 879 -20.336 -0.013 -3.956 1.00 0.00 C ATOM 1835 O ALA A 879 -21.529 -0.221 -3.737 1.00 0.00 O ATOM 1836 CB ALA A 879 -20.138 -1.879 -5.599 1.00 0.00 C ATOM 0 H ALA A 879 -17.800 -1.208 -4.801 1.00 0.00 H new ATOM 0 HA ALA A 879 -20.034 0.211 -6.055 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -21.226 -1.922 -5.643 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.724 -2.171 -6.564 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -19.779 -2.562 -4.829 1.00 0.00 H new ATOM 1842 N HIS A 880 -19.549 0.602 -3.084 1.00 0.00 N ATOM 1843 CA HIS A 880 -20.063 1.050 -1.799 1.00 0.00 C ATOM 1844 C HIS A 880 -19.565 2.446 -1.454 1.00 0.00 C ATOM 1845 O HIS A 880 -18.543 2.602 -0.788 1.00 0.00 O ATOM 1846 CB HIS A 880 -19.673 0.077 -0.688 1.00 0.00 C ATOM 1847 CG HIS A 880 -20.625 0.094 0.465 1.00 0.00 C ATOM 1848 ND1 HIS A 880 -20.561 1.014 1.491 1.00 0.00 N ATOM 1849 CD2 HIS A 880 -21.678 -0.705 0.747 1.00 0.00 C ATOM 1850 CE1 HIS A 880 -21.532 0.778 2.351 1.00 0.00 C ATOM 1851 NE2 HIS A 880 -22.225 -0.260 1.925 1.00 0.00 N ATOM 0 H HIS A 880 -18.561 0.800 -3.241 1.00 0.00 H new ATOM 0 HA HIS A 880 -21.149 1.082 -1.881 1.00 0.00 H new ATOM 0 HB2 HIS A 880 -19.625 -0.932 -1.097 1.00 0.00 H new ATOM 0 HB3 HIS A 880 -18.673 0.324 -0.330 1.00 0.00 H new ATOM 0 HD2 HIS A 880 -22.025 -1.539 0.155 1.00 0.00 H new ATOM 0 HE1 HIS A 880 -21.727 1.340 3.252 1.00 0.00 H new ATOM 0 HE2 HIS A 880 -23.035 -0.666 2.394 1.00 0.00 H new ATOM 1860 N PRO A 881 -20.287 3.480 -1.900 1.00 0.00 N ATOM 1861 CA PRO A 881 -19.981 4.861 -1.547 1.00 0.00 C ATOM 1862 C PRO A 881 -20.451 5.183 -0.132 1.00 0.00 C ATOM 1863 O PRO A 881 -20.976 4.314 0.568 1.00 0.00 O ATOM 1864 CB PRO A 881 -20.767 5.691 -2.579 1.00 0.00 C ATOM 1865 CG PRO A 881 -21.397 4.706 -3.514 1.00 0.00 C ATOM 1866 CD PRO A 881 -21.455 3.398 -2.778 1.00 0.00 C ATOM 0 HA PRO A 881 -18.911 5.066 -1.563 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -21.525 6.303 -2.090 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -20.106 6.371 -3.117 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -22.395 5.032 -3.806 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -20.813 4.611 -4.429 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -22.381 3.290 -2.213 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -21.394 2.547 -3.456 1.00 0.00 H new ATOM 1874 N ASP A 882 -20.259 6.426 0.290 1.00 0.00 N ATOM 1875 CA ASP A 882 -20.747 6.875 1.592 1.00 0.00 C ATOM 1876 C ASP A 882 -22.254 7.104 1.530 1.00 0.00 C ATOM 1877 O ASP A 882 -22.732 8.238 1.616 1.00 0.00 O ATOM 1878 CB ASP A 882 -20.033 8.160 2.024 1.00 0.00 C ATOM 1879 CG ASP A 882 -19.930 8.299 3.533 1.00 0.00 C ATOM 1880 OD1 ASP A 882 -20.868 7.893 4.247 1.00 0.00 O ATOM 1881 OD2 ASP A 882 -18.905 8.827 4.015 1.00 0.00 O ATOM 0 H ASP A 882 -19.770 7.142 -0.248 1.00 0.00 H new ATOM 0 HA ASP A 882 -20.534 6.101 2.330 1.00 0.00 H new ATOM 0 HB2 ASP A 882 -19.032 8.176 1.593 1.00 0.00 H new ATOM 0 HB3 ASP A 882 -20.567 9.020 1.620 1.00 0.00 H new ATOM 1886 N SER A 883 -22.981 6.010 1.348 1.00 0.00 N ATOM 1887 CA SER A 883 -24.426 6.025 1.192 1.00 0.00 C ATOM 1888 C SER A 883 -24.951 4.592 1.197 1.00 0.00 C ATOM 1889 O SER A 883 -24.177 3.646 1.361 1.00 0.00 O ATOM 1890 CB SER A 883 -24.817 6.710 -0.125 1.00 0.00 C ATOM 1891 OG SER A 883 -24.811 8.123 0.003 1.00 0.00 O ATOM 0 H SER A 883 -22.576 5.075 1.304 1.00 0.00 H new ATOM 0 HA SER A 883 -24.864 6.582 2.020 1.00 0.00 H new ATOM 0 HB2 SER A 883 -24.124 6.412 -0.911 1.00 0.00 H new ATOM 0 HB3 SER A 883 -25.808 6.375 -0.430 1.00 0.00 H new ATOM 0 HG SER A 883 -24.211 8.383 0.733 1.00 0.00 H new ATOM 1897 N GLU A 884 -26.262 4.450 1.021 1.00 0.00 N ATOM 1898 CA GLU A 884 -26.909 3.144 0.894 1.00 0.00 C ATOM 1899 C GLU A 884 -26.727 2.300 2.151 1.00 0.00 C ATOM 1900 O GLU A 884 -26.569 1.079 2.082 1.00 0.00 O ATOM 1901 CB GLU A 884 -26.380 2.398 -0.337 1.00 0.00 C ATOM 1902 CG GLU A 884 -26.565 3.167 -1.637 1.00 0.00 C ATOM 1903 CD GLU A 884 -28.012 3.525 -1.903 1.00 0.00 C ATOM 1904 OE1 GLU A 884 -28.506 4.517 -1.326 1.00 0.00 O ATOM 1905 OE2 GLU A 884 -28.667 2.815 -2.694 1.00 0.00 O ATOM 0 H GLU A 884 -26.908 5.237 0.962 1.00 0.00 H new ATOM 0 HA GLU A 884 -27.977 3.318 0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 884 -25.320 2.187 -0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 884 -26.889 1.437 -0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 884 -25.970 4.079 -1.603 1.00 0.00 H new ATOM 0 HG3 GLU A 884 -26.185 2.569 -2.465 1.00 0.00 H new ATOM 1912 N GLU A 885 -26.754 2.953 3.300 1.00 0.00 N ATOM 1913 CA GLU A 885 -26.664 2.257 4.572 1.00 0.00 C ATOM 1914 C GLU A 885 -28.060 2.003 5.119 1.00 0.00 C ATOM 1915 O GLU A 885 -28.979 2.784 4.873 1.00 0.00 O ATOM 1916 CB GLU A 885 -25.843 3.069 5.573 1.00 0.00 C ATOM 1917 CG GLU A 885 -24.370 3.140 5.219 1.00 0.00 C ATOM 1918 CD GLU A 885 -23.581 4.014 6.168 1.00 0.00 C ATOM 1919 OE1 GLU A 885 -23.075 3.493 7.183 1.00 0.00 O ATOM 1920 OE2 GLU A 885 -23.454 5.225 5.901 1.00 0.00 O ATOM 0 H GLU A 885 -26.838 3.967 3.378 1.00 0.00 H new ATOM 0 HA GLU A 885 -26.163 1.302 4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 885 -26.246 4.080 5.628 1.00 0.00 H new ATOM 0 HB3 GLU A 885 -25.951 2.628 6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 885 -23.951 2.134 5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 885 -24.263 3.524 4.204 1.00 0.00 H new ATOM 1927 N GLN A 886 -28.221 0.910 5.840 1.00 0.00 N ATOM 1928 CA GLN A 886 -29.514 0.557 6.402 1.00 0.00 C ATOM 1929 C GLN A 886 -29.364 0.090 7.845 1.00 0.00 C ATOM 1930 O GLN A 886 -28.324 0.306 8.473 1.00 0.00 O ATOM 1931 CB GLN A 886 -30.177 -0.537 5.562 1.00 0.00 C ATOM 1932 CG GLN A 886 -31.301 -0.026 4.674 1.00 0.00 C ATOM 1933 CD GLN A 886 -32.600 0.181 5.432 1.00 0.00 C ATOM 1934 OE1 GLN A 886 -32.678 -0.067 6.637 1.00 0.00 O ATOM 1935 NE2 GLN A 886 -33.627 0.633 4.731 1.00 0.00 N ATOM 0 H GLN A 886 -27.473 0.250 6.051 1.00 0.00 H new ATOM 0 HA GLN A 886 -30.147 1.445 6.389 1.00 0.00 H new ATOM 0 HB2 GLN A 886 -29.420 -1.013 4.938 1.00 0.00 H new ATOM 0 HB3 GLN A 886 -30.571 -1.305 6.227 1.00 0.00 H new ATOM 0 HG2 GLN A 886 -30.998 0.916 4.217 1.00 0.00 H new ATOM 0 HG3 GLN A 886 -31.468 -0.734 3.863 1.00 0.00 H new ATOM 0 HE21 GLN A 886 -33.519 0.826 3.735 1.00 0.00 H new ATOM 0 HE22 GLN A 886 -34.526 0.789 5.186 1.00 0.00 H new ATOM 1944 N GLN A 887 -30.407 -0.549 8.363 1.00 0.00 N ATOM 1945 CA GLN A 887 -30.399 -1.056 9.730 1.00 0.00 C ATOM 1946 C GLN A 887 -29.912 -2.501 9.770 1.00 0.00 C ATOM 1947 O GLN A 887 -29.784 -3.089 10.846 1.00 0.00 O ATOM 1948 CB GLN A 887 -31.800 -0.961 10.339 1.00 0.00 C ATOM 1949 CG GLN A 887 -32.139 0.421 10.871 1.00 0.00 C ATOM 1950 CD GLN A 887 -33.630 0.690 10.894 1.00 0.00 C ATOM 1951 OE1 GLN A 887 -34.409 -0.082 11.456 1.00 0.00 O ATOM 1952 NE2 GLN A 887 -34.038 1.787 10.283 1.00 0.00 N ATOM 0 H GLN A 887 -31.272 -0.729 7.854 1.00 0.00 H new ATOM 0 HA GLN A 887 -29.713 -0.443 10.315 1.00 0.00 H new ATOM 0 HB2 GLN A 887 -32.535 -1.241 9.584 1.00 0.00 H new ATOM 0 HB3 GLN A 887 -31.884 -1.684 11.150 1.00 0.00 H new ATOM 0 HG2 GLN A 887 -31.740 0.525 11.880 1.00 0.00 H new ATOM 0 HG3 GLN A 887 -31.648 1.174 10.254 1.00 0.00 H new ATOM 0 HE21 GLN A 887 -33.361 2.400 9.829 1.00 0.00 H new ATOM 0 HE22 GLN A 887 -35.031 2.021 10.265 1.00 0.00 H new ATOM 1961 N GLN A 888 -29.654 -3.061 8.587 1.00 0.00 N ATOM 1962 CA GLN A 888 -29.179 -4.439 8.454 1.00 0.00 C ATOM 1963 C GLN A 888 -30.248 -5.420 8.919 1.00 0.00 C ATOM 1964 O GLN A 888 -29.956 -6.409 9.598 1.00 0.00 O ATOM 1965 CB GLN A 888 -27.878 -4.654 9.240 1.00 0.00 C ATOM 1966 CG GLN A 888 -26.621 -4.459 8.409 1.00 0.00 C ATOM 1967 CD GLN A 888 -26.244 -2.999 8.264 1.00 0.00 C ATOM 1968 OE1 GLN A 888 -26.850 -2.263 7.487 1.00 0.00 O ATOM 1969 NE2 GLN A 888 -25.241 -2.569 9.012 1.00 0.00 N ATOM 0 H GLN A 888 -29.768 -2.575 7.698 1.00 0.00 H new ATOM 0 HA GLN A 888 -28.972 -4.622 7.400 1.00 0.00 H new ATOM 0 HB2 GLN A 888 -27.856 -3.964 10.083 1.00 0.00 H new ATOM 0 HB3 GLN A 888 -27.876 -5.663 9.653 1.00 0.00 H new ATOM 0 HG2 GLN A 888 -25.796 -5.000 8.872 1.00 0.00 H new ATOM 0 HG3 GLN A 888 -26.772 -4.892 7.420 1.00 0.00 H new ATOM 0 HE21 GLN A 888 -24.764 -3.212 9.644 1.00 0.00 H new ATOM 0 HE22 GLN A 888 -24.945 -1.595 8.956 1.00 0.00 H new ATOM 1978 N ARG A 889 -31.488 -5.142 8.545 1.00 0.00 N ATOM 1979 CA ARG A 889 -32.613 -5.979 8.929 1.00 0.00 C ATOM 1980 C ARG A 889 -33.620 -6.065 7.789 1.00 0.00 C ATOM 1981 O ARG A 889 -33.611 -5.166 6.922 1.00 0.00 O ATOM 1982 CB ARG A 889 -33.288 -5.427 10.191 1.00 0.00 C ATOM 1983 CG ARG A 889 -34.016 -4.106 9.978 1.00 0.00 C ATOM 1984 CD ARG A 889 -35.510 -4.248 10.217 1.00 0.00 C ATOM 1985 NE ARG A 889 -35.845 -4.214 11.639 1.00 0.00 N ATOM 1986 CZ ARG A 889 -36.730 -5.029 12.216 1.00 0.00 C ATOM 1987 NH1 ARG A 889 -37.339 -5.968 11.500 1.00 0.00 N ATOM 1988 NH2 ARG A 889 -36.996 -4.909 13.510 1.00 0.00 N ATOM 1989 OXT ARG A 889 -34.414 -7.027 7.766 1.00 0.00 O ATOM 0 H ARG A 889 -31.741 -4.337 7.972 1.00 0.00 H new ATOM 0 HA ARG A 889 -32.240 -6.980 9.145 1.00 0.00 H new ATOM 0 HB2 ARG A 889 -33.998 -6.165 10.563 1.00 0.00 H new ATOM 0 HB3 ARG A 889 -32.533 -5.293 10.965 1.00 0.00 H new ATOM 0 HG2 ARG A 889 -33.609 -3.352 10.652 1.00 0.00 H new ATOM 0 HG3 ARG A 889 -33.841 -3.753 8.962 1.00 0.00 H new ATOM 0 HD2 ARG A 889 -36.037 -3.445 9.702 1.00 0.00 H new ATOM 0 HD3 ARG A 889 -35.858 -5.186 9.785 1.00 0.00 H new ATOM 0 HE ARG A 889 -35.374 -3.526 12.226 1.00 0.00 H new ATOM 0 HH11 ARG A 889 -37.130 -6.067 10.507 1.00 0.00 H new ATOM 0 HH12 ARG A 889 -38.015 -6.590 11.944 1.00 0.00 H new ATOM 0 HH21 ARG A 889 -36.524 -4.194 14.063 1.00 0.00 H new ATOM 0 HH22 ARG A 889 -37.672 -5.532 13.951 1.00 0.00 H new TER 2003 ARG A 889