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 833 THR OG1 : rot 79:sc= 0.748 USER MOD Set 1.2: A 867 THR OG1 : rot 59:sc= 0.127 USER MOD Set 2.1: A 838 ASN : amide:sc= 0.0719 X(o=0.14,f=-0.021) USER MOD Set 2.2: A 841 LYS NZ :NH3+ 150:sc= 0.071 (180deg=0) USER MOD Single : A 752 SER OG : rot 180:sc= 0 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= 0.42 K(o=0.42,f=-2.2!) USER MOD Single : A 758 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 762 GLN : amide:sc= -1.23 K(o=-1.2,f=-4.1!) USER MOD Single : A 772 THR OG1 : rot 97:sc= 1.29 USER MOD Single : A 775 THR OG1 : rot 180:sc= -0.0834 USER MOD Single : A 776 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 779 ASN : amide:sc= -0.0534 X(o=-0.053,f=-0.28) USER MOD Single : A 783 GLN : amide:sc= 1.14 K(o=1.1,f=-0.0087) USER MOD Single : A 784 HIS : no HD1:sc= -0.987 K(o=-0.99,f=-0.28) USER MOD Single : A 786 LYS NZ :NH3+ 167:sc= 1.29 (180deg=1.24) USER MOD Single : A 788 HIS : no HD1:sc= -0.84 K(o=-0.84,f=-0.012) USER MOD Single : A 790 THR OG1 : rot -56:sc= 1.3 USER MOD Single : A 798 TYR OH : rot -138:sc= 0.991 USER MOD Single : A 800 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 802 THR OG1 : rot 39:sc= 0.933 USER MOD Single : A 804 THR OG1 : rot 69:sc= 1 USER MOD Single : A 807 THR OG1 : rot 79:sc= 1.2 USER MOD Single : A 809 THR OG1 : rot 79:sc= 1.07 USER MOD Single : A 811 ASN : amide:sc= -0.126 K(o=-0.13,f=-0.74) USER MOD Single : A 814 SER OG : rot 74:sc= 0.978 USER MOD Single : A 815 SER OG : rot 87:sc= 1.18 USER MOD Single : A 816 MET CE :methyl 139:sc= -2.05 (180deg=-2.96!) USER MOD Single : A 822 MET CE :methyl 165:sc= -0.91 (180deg=-1.28) USER MOD Single : A 825 GLN : amide:sc= 0.697 K(o=0.7,f=-0.65) USER MOD Single : A 831 GLN : amide:sc= -0.0607 K(o=-0.061,f=-1.4!) USER MOD Single : A 834 SER OG : rot 89:sc= 1.3 USER MOD Single : A 848 SER OG : rot 180:sc= 0.0752 USER MOD Single : A 852 ASN : amide:sc= -1.2! C(o=-1.2!,f=-10!) USER MOD Single : A 853 SER OG : rot -24:sc= -1.14 USER MOD Single : A 855 LYS NZ :NH3+ -141:sc= 1.32 (180deg=-0.483) USER MOD Single : A 858 SER OG : rot 79:sc= 1.26 USER MOD Single : A 861 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 LYS NZ :NH3+ -97:sc= 1.22 (180deg=0.476) USER MOD Single : A 870 MET CE :methyl 146:sc= -2.77! (180deg=-4.7!) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 880 HIS : no HD1:sc= 0.419 K(o=0.42,f=-4.1!) USER MOD Single : A 883 SER OG : rot 180:sc= 0.116 USER MOD Single : A 886 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 887 GLN : amide:sc= 0.278 X(o=0.28,f=0) USER MOD Single : A 888 GLN : amide:sc= 0.96 K(o=0.96,f=-0.078) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 751 -42.073 0.067 11.690 1.00 0.00 N ATOM 2 CA GLY A 751 -41.041 0.438 10.694 1.00 0.00 C ATOM 3 C GLY A 751 -41.306 -0.182 9.340 1.00 0.00 C ATOM 4 O GLY A 751 -40.720 -1.208 8.990 1.00 0.00 O ATOM 0 HA2 GLY A 751 -41.007 1.523 10.595 1.00 0.00 H new ATOM 0 HA3 GLY A 751 -40.062 0.120 11.052 1.00 0.00 H new ATOM 10 N SER A 752 -42.193 0.437 8.579 1.00 0.00 N ATOM 11 CA SER A 752 -42.532 -0.045 7.253 1.00 0.00 C ATOM 12 C SER A 752 -41.456 0.346 6.246 1.00 0.00 C ATOM 13 O SER A 752 -41.500 1.423 5.646 1.00 0.00 O ATOM 14 CB SER A 752 -43.890 0.508 6.835 1.00 0.00 C ATOM 15 OG SER A 752 -44.761 0.585 7.954 1.00 0.00 O ATOM 0 H SER A 752 -42.694 1.280 8.860 1.00 0.00 H new ATOM 0 HA SER A 752 -42.588 -1.133 7.277 1.00 0.00 H new ATOM 0 HB2 SER A 752 -43.766 1.497 6.394 1.00 0.00 H new ATOM 0 HB3 SER A 752 -44.329 -0.130 6.068 1.00 0.00 H new ATOM 0 HG SER A 752 -45.628 0.943 7.670 1.00 0.00 H new ATOM 21 N HIS A 753 -40.476 -0.527 6.093 1.00 0.00 N ATOM 22 CA HIS A 753 -39.396 -0.320 5.144 1.00 0.00 C ATOM 23 C HIS A 753 -38.920 -1.664 4.615 1.00 0.00 C ATOM 24 O HIS A 753 -37.749 -2.022 4.751 1.00 0.00 O ATOM 25 CB HIS A 753 -38.238 0.435 5.800 1.00 0.00 C ATOM 26 CG HIS A 753 -37.451 1.277 4.844 1.00 0.00 C ATOM 27 ND1 HIS A 753 -36.139 1.017 4.518 1.00 0.00 N ATOM 28 CD2 HIS A 753 -37.796 2.382 4.142 1.00 0.00 C ATOM 29 CE1 HIS A 753 -35.711 1.921 3.661 1.00 0.00 C ATOM 30 NE2 HIS A 753 -36.695 2.762 3.415 1.00 0.00 N ATOM 0 H HIS A 753 -40.406 -1.397 6.621 1.00 0.00 H new ATOM 0 HA HIS A 753 -39.765 0.282 4.314 1.00 0.00 H new ATOM 0 HB2 HIS A 753 -38.633 1.072 6.591 1.00 0.00 H new ATOM 0 HB3 HIS A 753 -37.569 -0.284 6.273 1.00 0.00 H new ATOM 0 HD2 HIS A 753 -38.758 2.873 4.152 1.00 0.00 H new ATOM 0 HE1 HIS A 753 -34.721 1.965 3.232 1.00 0.00 H new ATOM 0 HE2 HIS A 753 -36.647 3.564 2.787 1.00 0.00 H new ATOM 39 N MET A 754 -39.844 -2.410 4.030 1.00 0.00 N ATOM 40 CA MET A 754 -39.549 -3.745 3.527 1.00 0.00 C ATOM 41 C MET A 754 -38.784 -3.667 2.212 1.00 0.00 C ATOM 42 O MET A 754 -39.377 -3.591 1.135 1.00 0.00 O ATOM 43 CB MET A 754 -40.840 -4.542 3.342 1.00 0.00 C ATOM 44 CG MET A 754 -40.910 -5.793 4.202 1.00 0.00 C ATOM 45 SD MET A 754 -41.510 -5.456 5.870 1.00 0.00 S ATOM 46 CE MET A 754 -41.902 -7.115 6.423 1.00 0.00 C ATOM 0 H MET A 754 -40.810 -2.113 3.891 1.00 0.00 H new ATOM 0 HA MET A 754 -38.924 -4.256 4.259 1.00 0.00 H new ATOM 0 HB2 MET A 754 -41.690 -3.901 3.577 1.00 0.00 H new ATOM 0 HB3 MET A 754 -40.935 -4.826 2.294 1.00 0.00 H new ATOM 0 HG2 MET A 754 -41.565 -6.521 3.724 1.00 0.00 H new ATOM 0 HG3 MET A 754 -39.920 -6.245 4.260 1.00 0.00 H new ATOM 0 HE1 MET A 754 -42.287 -7.077 7.442 1.00 0.00 H new ATOM 0 HE2 MET A 754 -42.656 -7.549 5.766 1.00 0.00 H new ATOM 0 HE3 MET A 754 -41.002 -7.729 6.398 1.00 0.00 H new ATOM 56 N GLN A 755 -37.467 -3.672 2.309 1.00 0.00 N ATOM 57 CA GLN A 755 -36.614 -3.608 1.135 1.00 0.00 C ATOM 58 C GLN A 755 -35.536 -4.682 1.212 1.00 0.00 C ATOM 59 O GLN A 755 -35.601 -5.578 2.060 1.00 0.00 O ATOM 60 CB GLN A 755 -35.976 -2.222 1.021 1.00 0.00 C ATOM 61 CG GLN A 755 -36.281 -1.518 -0.289 1.00 0.00 C ATOM 62 CD GLN A 755 -35.122 -1.581 -1.263 1.00 0.00 C ATOM 63 OE1 GLN A 755 -34.876 -2.612 -1.889 1.00 0.00 O ATOM 64 NE2 GLN A 755 -34.404 -0.479 -1.396 1.00 0.00 N ATOM 0 H GLN A 755 -36.962 -3.720 3.194 1.00 0.00 H new ATOM 0 HA GLN A 755 -37.222 -3.786 0.248 1.00 0.00 H new ATOM 0 HB2 GLN A 755 -36.325 -1.602 1.847 1.00 0.00 H new ATOM 0 HB3 GLN A 755 -34.896 -2.319 1.129 1.00 0.00 H new ATOM 0 HG2 GLN A 755 -37.161 -1.972 -0.746 1.00 0.00 H new ATOM 0 HG3 GLN A 755 -36.528 -0.475 -0.089 1.00 0.00 H new ATOM 0 HE21 GLN A 755 -34.643 0.354 -0.857 1.00 0.00 H new ATOM 0 HE22 GLN A 755 -33.611 -0.461 -2.037 1.00 0.00 H new ATOM 73 N ALA A 756 -34.553 -4.597 0.331 1.00 0.00 N ATOM 74 CA ALA A 756 -33.443 -5.534 0.343 1.00 0.00 C ATOM 75 C ALA A 756 -32.482 -5.199 1.474 1.00 0.00 C ATOM 76 O ALA A 756 -32.126 -4.036 1.672 1.00 0.00 O ATOM 77 CB ALA A 756 -32.715 -5.514 -0.991 1.00 0.00 C ATOM 0 H ALA A 756 -34.501 -3.889 -0.401 1.00 0.00 H new ATOM 0 HA ALA A 756 -33.839 -6.537 0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 756 -31.887 -6.222 -0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 756 -33.406 -5.794 -1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 756 -32.330 -4.512 -1.180 1.00 0.00 H new ATOM 83 N ALA A 757 -32.090 -6.211 2.229 1.00 0.00 N ATOM 84 CA ALA A 757 -31.136 -6.025 3.307 1.00 0.00 C ATOM 85 C ALA A 757 -29.730 -5.890 2.739 1.00 0.00 C ATOM 86 O ALA A 757 -29.143 -6.867 2.274 1.00 0.00 O ATOM 87 CB ALA A 757 -31.208 -7.184 4.291 1.00 0.00 C ATOM 0 H ALA A 757 -32.418 -7.170 2.115 1.00 0.00 H new ATOM 0 HA ALA A 757 -31.386 -5.110 3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -30.486 -7.027 5.092 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -32.211 -7.241 4.713 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -30.979 -8.115 3.773 1.00 0.00 H new ATOM 93 N THR A 758 -29.208 -4.676 2.755 1.00 0.00 N ATOM 94 CA THR A 758 -27.876 -4.410 2.240 1.00 0.00 C ATOM 95 C THR A 758 -26.818 -5.014 3.157 1.00 0.00 C ATOM 96 O THR A 758 -27.112 -5.375 4.300 1.00 0.00 O ATOM 97 CB THR A 758 -27.639 -2.895 2.114 1.00 0.00 C ATOM 98 OG1 THR A 758 -28.408 -2.202 3.109 1.00 0.00 O ATOM 99 CG2 THR A 758 -28.026 -2.397 0.730 1.00 0.00 C ATOM 0 H THR A 758 -29.689 -3.855 3.121 1.00 0.00 H new ATOM 0 HA THR A 758 -27.798 -4.868 1.254 1.00 0.00 H new ATOM 0 HB THR A 758 -26.578 -2.699 2.266 1.00 0.00 H new ATOM 0 HG1 THR A 758 -28.254 -1.238 3.028 1.00 0.00 H new ATOM 0 HG21 THR A 758 -27.849 -1.323 0.667 1.00 0.00 H new ATOM 0 HG22 THR A 758 -27.425 -2.909 -0.022 1.00 0.00 H new ATOM 0 HG23 THR A 758 -29.082 -2.602 0.552 1.00 0.00 H new ATOM 107 N GLU A 759 -25.597 -5.139 2.658 1.00 0.00 N ATOM 108 CA GLU A 759 -24.501 -5.642 3.472 1.00 0.00 C ATOM 109 C GLU A 759 -24.125 -4.616 4.540 1.00 0.00 C ATOM 110 O GLU A 759 -24.658 -4.652 5.651 1.00 0.00 O ATOM 111 CB GLU A 759 -23.288 -5.981 2.601 1.00 0.00 C ATOM 112 CG GLU A 759 -22.855 -7.436 2.697 1.00 0.00 C ATOM 113 CD GLU A 759 -22.697 -7.908 4.130 1.00 0.00 C ATOM 114 OE1 GLU A 759 -23.719 -8.225 4.773 1.00 0.00 O ATOM 115 OE2 GLU A 759 -21.550 -7.963 4.620 1.00 0.00 O ATOM 0 H GLU A 759 -25.341 -4.901 1.700 1.00 0.00 H new ATOM 0 HA GLU A 759 -24.829 -6.557 3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 759 -23.521 -5.748 1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -22.453 -5.343 2.891 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -23.589 -8.063 2.191 1.00 0.00 H new ATOM 0 HG3 GLU A 759 -21.909 -7.565 2.170 1.00 0.00 H new ATOM 122 N ASP A 760 -23.231 -3.699 4.187 1.00 0.00 N ATOM 123 CA ASP A 760 -22.762 -2.664 5.109 1.00 0.00 C ATOM 124 C ASP A 760 -21.696 -1.816 4.432 1.00 0.00 C ATOM 125 O ASP A 760 -21.410 -1.997 3.244 1.00 0.00 O ATOM 126 CB ASP A 760 -22.186 -3.282 6.392 1.00 0.00 C ATOM 127 CG ASP A 760 -22.269 -2.345 7.584 1.00 0.00 C ATOM 128 OD1 ASP A 760 -22.793 -1.221 7.430 1.00 0.00 O ATOM 129 OD2 ASP A 760 -21.799 -2.724 8.677 1.00 0.00 O ATOM 0 H ASP A 760 -22.811 -3.650 3.259 1.00 0.00 H new ATOM 0 HA ASP A 760 -23.614 -2.041 5.380 1.00 0.00 H new ATOM 0 HB2 ASP A 760 -22.724 -4.202 6.620 1.00 0.00 H new ATOM 0 HB3 ASP A 760 -21.145 -3.556 6.222 1.00 0.00 H new ATOM 134 N GLY A 761 -21.125 -0.887 5.181 1.00 0.00 N ATOM 135 CA GLY A 761 -20.040 -0.077 4.672 1.00 0.00 C ATOM 136 C GLY A 761 -18.721 -0.446 5.317 1.00 0.00 C ATOM 137 O GLY A 761 -18.369 0.084 6.372 1.00 0.00 O ATOM 0 H GLY A 761 -21.397 -0.678 6.142 1.00 0.00 H new ATOM 0 HA2 GLY A 761 -19.966 -0.204 3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 761 -20.254 0.976 4.855 1.00 0.00 H new ATOM 141 N GLN A 762 -17.992 -1.352 4.682 1.00 0.00 N ATOM 142 CA GLN A 762 -16.729 -1.849 5.217 1.00 0.00 C ATOM 143 C GLN A 762 -15.565 -0.968 4.767 1.00 0.00 C ATOM 144 O GLN A 762 -14.506 -1.462 4.373 1.00 0.00 O ATOM 145 CB GLN A 762 -16.502 -3.292 4.756 1.00 0.00 C ATOM 146 CG GLN A 762 -16.586 -4.315 5.876 1.00 0.00 C ATOM 147 CD GLN A 762 -15.419 -5.281 5.862 1.00 0.00 C ATOM 148 OE1 GLN A 762 -14.269 -4.883 6.031 1.00 0.00 O ATOM 149 NE2 GLN A 762 -15.706 -6.557 5.665 1.00 0.00 N ATOM 0 H GLN A 762 -18.256 -1.763 3.786 1.00 0.00 H new ATOM 0 HA GLN A 762 -16.779 -1.821 6.305 1.00 0.00 H new ATOM 0 HB2 GLN A 762 -17.241 -3.540 3.994 1.00 0.00 H new ATOM 0 HB3 GLN A 762 -15.522 -3.363 4.285 1.00 0.00 H new ATOM 0 HG2 GLN A 762 -16.615 -3.798 6.835 1.00 0.00 H new ATOM 0 HG3 GLN A 762 -17.518 -4.873 5.786 1.00 0.00 H new ATOM 0 HE21 GLN A 762 -16.674 -6.847 5.529 1.00 0.00 H new ATOM 0 HE22 GLN A 762 -14.959 -7.251 5.649 1.00 0.00 H new ATOM 158 N LEU A 763 -15.766 0.341 4.847 1.00 0.00 N ATOM 159 CA LEU A 763 -14.783 1.299 4.362 1.00 0.00 C ATOM 160 C LEU A 763 -13.539 1.305 5.246 1.00 0.00 C ATOM 161 O LEU A 763 -12.456 0.913 4.813 1.00 0.00 O ATOM 162 CB LEU A 763 -15.394 2.704 4.310 1.00 0.00 C ATOM 163 CG LEU A 763 -15.948 3.131 2.946 1.00 0.00 C ATOM 164 CD1 LEU A 763 -14.994 2.743 1.829 1.00 0.00 C ATOM 165 CD2 LEU A 763 -17.322 2.522 2.712 1.00 0.00 C ATOM 0 H LEU A 763 -16.604 0.764 5.245 1.00 0.00 H new ATOM 0 HA LEU A 763 -14.487 0.999 3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 763 -16.199 2.759 5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 763 -14.634 3.423 4.616 1.00 0.00 H new ATOM 0 HG LEU A 763 -16.048 4.216 2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 763 -15.409 3.056 0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 763 -14.032 3.232 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 763 -14.855 1.662 1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 763 -17.699 2.837 1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 763 -17.247 1.435 2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 763 -18.006 2.857 3.491 1.00 0.00 H new ATOM 177 N LEU A 764 -13.696 1.714 6.492 1.00 0.00 N ATOM 178 CA LEU A 764 -12.559 1.824 7.394 1.00 0.00 C ATOM 179 C LEU A 764 -12.182 0.462 7.969 1.00 0.00 C ATOM 180 O LEU A 764 -11.075 0.280 8.478 1.00 0.00 O ATOM 181 CB LEU A 764 -12.859 2.818 8.514 1.00 0.00 C ATOM 182 CG LEU A 764 -12.568 4.278 8.166 1.00 0.00 C ATOM 183 CD1 LEU A 764 -13.538 5.202 8.884 1.00 0.00 C ATOM 184 CD2 LEU A 764 -11.130 4.633 8.513 1.00 0.00 C ATOM 0 H LEU A 764 -14.593 1.974 6.902 1.00 0.00 H new ATOM 0 HA LEU A 764 -11.708 2.194 6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 764 -13.909 2.727 8.791 1.00 0.00 H new ATOM 0 HB3 LEU A 764 -12.273 2.544 9.391 1.00 0.00 H new ATOM 0 HG LEU A 764 -12.703 4.410 7.092 1.00 0.00 H new ATOM 0 HD11 LEU A 764 -13.315 6.237 8.624 1.00 0.00 H new ATOM 0 HD12 LEU A 764 -14.558 4.964 8.583 1.00 0.00 H new ATOM 0 HD13 LEU A 764 -13.437 5.069 9.961 1.00 0.00 H new ATOM 0 HD21 LEU A 764 -10.941 5.676 8.258 1.00 0.00 H new ATOM 0 HD22 LEU A 764 -10.966 4.485 9.580 1.00 0.00 H new ATOM 0 HD23 LEU A 764 -10.451 3.993 7.949 1.00 0.00 H new ATOM 196 N ARG A 765 -13.106 -0.484 7.884 1.00 0.00 N ATOM 197 CA ARG A 765 -12.853 -1.847 8.326 1.00 0.00 C ATOM 198 C ARG A 765 -11.891 -2.548 7.371 1.00 0.00 C ATOM 199 O ARG A 765 -10.840 -3.045 7.784 1.00 0.00 O ATOM 200 CB ARG A 765 -14.168 -2.628 8.410 1.00 0.00 C ATOM 201 CG ARG A 765 -14.378 -3.337 9.738 1.00 0.00 C ATOM 202 CD ARG A 765 -15.493 -4.368 9.647 1.00 0.00 C ATOM 203 NE ARG A 765 -14.984 -5.695 9.309 1.00 0.00 N ATOM 204 CZ ARG A 765 -15.703 -6.815 9.370 1.00 0.00 C ATOM 205 NH1 ARG A 765 -16.986 -6.775 9.713 1.00 0.00 N ATOM 206 NH2 ARG A 765 -15.139 -7.979 9.076 1.00 0.00 N ATOM 0 H ARG A 765 -14.043 -0.331 7.511 1.00 0.00 H new ATOM 0 HA ARG A 765 -12.398 -1.810 9.316 1.00 0.00 H new ATOM 0 HB2 ARG A 765 -14.998 -1.942 8.240 1.00 0.00 H new ATOM 0 HB3 ARG A 765 -14.194 -3.365 7.607 1.00 0.00 H new ATOM 0 HG2 ARG A 765 -13.452 -3.826 10.041 1.00 0.00 H new ATOM 0 HG3 ARG A 765 -14.619 -2.605 10.509 1.00 0.00 H new ATOM 0 HD2 ARG A 765 -16.023 -4.414 10.598 1.00 0.00 H new ATOM 0 HD3 ARG A 765 -16.216 -4.054 8.894 1.00 0.00 H new ATOM 0 HE ARG A 765 -14.013 -5.769 9.006 1.00 0.00 H new ATOM 0 HH11 ARG A 765 -17.428 -5.882 9.932 1.00 0.00 H new ATOM 0 HH12 ARG A 765 -17.529 -7.637 9.757 1.00 0.00 H new ATOM 0 HH21 ARG A 765 -14.157 -8.015 8.804 1.00 0.00 H new ATOM 0 HH22 ARG A 765 -15.688 -8.838 9.122 1.00 0.00 H new ATOM 220 N GLY A 766 -12.247 -2.572 6.092 1.00 0.00 N ATOM 221 CA GLY A 766 -11.418 -3.230 5.102 1.00 0.00 C ATOM 222 C GLY A 766 -10.336 -2.322 4.560 1.00 0.00 C ATOM 223 O GLY A 766 -9.147 -2.559 4.786 1.00 0.00 O ATOM 0 H GLY A 766 -13.097 -2.146 5.723 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -10.959 -4.113 5.546 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -12.044 -3.576 4.279 1.00 0.00 H new ATOM 227 N VAL A 767 -10.747 -1.273 3.858 1.00 0.00 N ATOM 228 CA VAL A 767 -9.803 -0.345 3.242 1.00 0.00 C ATOM 229 C VAL A 767 -8.964 0.354 4.301 1.00 0.00 C ATOM 230 O VAL A 767 -7.767 0.549 4.122 1.00 0.00 O ATOM 231 CB VAL A 767 -10.513 0.725 2.388 1.00 0.00 C ATOM 232 CG1 VAL A 767 -9.600 1.219 1.281 1.00 0.00 C ATOM 233 CG2 VAL A 767 -11.810 0.185 1.812 1.00 0.00 C ATOM 0 H VAL A 767 -11.728 -1.042 3.700 1.00 0.00 H new ATOM 0 HA VAL A 767 -9.163 -0.942 2.592 1.00 0.00 H new ATOM 0 HB VAL A 767 -10.755 1.568 3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 767 -10.120 1.973 0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 767 -8.702 1.656 1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 767 -9.322 0.383 0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 767 -12.292 0.958 1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 767 -11.597 -0.680 1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 767 -12.473 -0.111 2.625 1.00 0.00 H new ATOM 243 N GLY A 768 -9.601 0.723 5.404 1.00 0.00 N ATOM 244 CA GLY A 768 -8.896 1.384 6.488 1.00 0.00 C ATOM 245 C GLY A 768 -7.732 0.563 7.011 1.00 0.00 C ATOM 246 O GLY A 768 -6.625 1.079 7.170 1.00 0.00 O ATOM 0 H GLY A 768 -10.597 0.576 5.569 1.00 0.00 H new ATOM 0 HA2 GLY A 768 -8.528 2.350 6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 768 -9.592 1.581 7.303 1.00 0.00 H new ATOM 250 N ALA A 769 -7.976 -0.716 7.262 1.00 0.00 N ATOM 251 CA ALA A 769 -6.938 -1.608 7.763 1.00 0.00 C ATOM 252 C ALA A 769 -5.875 -1.856 6.698 1.00 0.00 C ATOM 253 O ALA A 769 -4.676 -1.818 6.983 1.00 0.00 O ATOM 254 CB ALA A 769 -7.543 -2.924 8.224 1.00 0.00 C ATOM 0 H ALA A 769 -8.884 -1.160 7.127 1.00 0.00 H new ATOM 0 HA ALA A 769 -6.461 -1.127 8.617 1.00 0.00 H new ATOM 0 HB1 ALA A 769 -6.753 -3.577 8.595 1.00 0.00 H new ATOM 0 HB2 ALA A 769 -8.262 -2.735 9.021 1.00 0.00 H new ATOM 0 HB3 ALA A 769 -8.049 -3.405 7.387 1.00 0.00 H new ATOM 260 N ALA A 770 -6.322 -2.092 5.471 1.00 0.00 N ATOM 261 CA ALA A 770 -5.420 -2.348 4.357 1.00 0.00 C ATOM 262 C ALA A 770 -4.520 -1.142 4.087 1.00 0.00 C ATOM 263 O ALA A 770 -3.313 -1.288 3.888 1.00 0.00 O ATOM 264 CB ALA A 770 -6.217 -2.709 3.114 1.00 0.00 C ATOM 0 H ALA A 770 -7.311 -2.111 5.222 1.00 0.00 H new ATOM 0 HA ALA A 770 -4.778 -3.188 4.622 1.00 0.00 H new ATOM 0 HB1 ALA A 770 -5.534 -2.899 2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 770 -6.809 -3.603 3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 770 -6.881 -1.884 2.855 1.00 0.00 H new ATOM 270 N ALA A 771 -5.114 0.044 4.093 1.00 0.00 N ATOM 271 CA ALA A 771 -4.377 1.279 3.859 1.00 0.00 C ATOM 272 C ALA A 771 -3.330 1.504 4.945 1.00 0.00 C ATOM 273 O ALA A 771 -2.181 1.844 4.656 1.00 0.00 O ATOM 274 CB ALA A 771 -5.335 2.457 3.790 1.00 0.00 C ATOM 0 H ALA A 771 -6.112 0.177 4.259 1.00 0.00 H new ATOM 0 HA ALA A 771 -3.858 1.192 2.904 1.00 0.00 H new ATOM 0 HB1 ALA A 771 -4.772 3.374 3.615 1.00 0.00 H new ATOM 0 HB2 ALA A 771 -6.042 2.304 2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 771 -5.879 2.539 4.731 1.00 0.00 H new ATOM 280 N THR A 772 -3.731 1.291 6.194 1.00 0.00 N ATOM 281 CA THR A 772 -2.834 1.469 7.330 1.00 0.00 C ATOM 282 C THR A 772 -1.673 0.475 7.274 1.00 0.00 C ATOM 283 O THR A 772 -0.554 0.788 7.685 1.00 0.00 O ATOM 284 CB THR A 772 -3.593 1.321 8.667 1.00 0.00 C ATOM 285 OG1 THR A 772 -4.752 2.170 8.664 1.00 0.00 O ATOM 286 CG2 THR A 772 -2.702 1.685 9.847 1.00 0.00 C ATOM 0 H THR A 772 -4.674 0.994 6.445 1.00 0.00 H new ATOM 0 HA THR A 772 -2.430 2.479 7.272 1.00 0.00 H new ATOM 0 HB THR A 772 -3.897 0.279 8.771 1.00 0.00 H new ATOM 0 HG1 THR A 772 -5.540 1.647 8.409 1.00 0.00 H new ATOM 0 HG21 THR A 772 -3.263 1.572 10.775 1.00 0.00 H new ATOM 0 HG22 THR A 772 -1.834 1.026 9.865 1.00 0.00 H new ATOM 0 HG23 THR A 772 -2.371 2.719 9.747 1.00 0.00 H new ATOM 294 N ALA A 773 -1.937 -0.715 6.741 1.00 0.00 N ATOM 295 CA ALA A 773 -0.898 -1.722 6.570 1.00 0.00 C ATOM 296 C ALA A 773 0.206 -1.194 5.661 1.00 0.00 C ATOM 297 O ALA A 773 1.393 -1.387 5.933 1.00 0.00 O ATOM 298 CB ALA A 773 -1.487 -3.007 6.008 1.00 0.00 C ATOM 0 H ALA A 773 -2.861 -1.004 6.421 1.00 0.00 H new ATOM 0 HA ALA A 773 -0.465 -1.944 7.546 1.00 0.00 H new ATOM 0 HB1 ALA A 773 -0.696 -3.747 5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 773 -2.242 -3.391 6.694 1.00 0.00 H new ATOM 0 HB3 ALA A 773 -1.945 -2.804 5.040 1.00 0.00 H new ATOM 304 N VAL A 774 -0.194 -0.509 4.592 1.00 0.00 N ATOM 305 CA VAL A 774 0.755 0.120 3.681 1.00 0.00 C ATOM 306 C VAL A 774 1.515 1.228 4.396 1.00 0.00 C ATOM 307 O VAL A 774 2.733 1.338 4.267 1.00 0.00 O ATOM 308 CB VAL A 774 0.054 0.710 2.439 1.00 0.00 C ATOM 309 CG1 VAL A 774 1.073 1.230 1.437 1.00 0.00 C ATOM 310 CG2 VAL A 774 -0.845 -0.327 1.793 1.00 0.00 C ATOM 0 H VAL A 774 -1.172 -0.376 4.336 1.00 0.00 H new ATOM 0 HA VAL A 774 1.446 -0.655 3.350 1.00 0.00 H new ATOM 0 HB VAL A 774 -0.562 1.549 2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 774 0.555 1.641 0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 774 1.676 2.010 1.902 1.00 0.00 H new ATOM 0 HG13 VAL A 774 1.720 0.413 1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 774 -1.331 0.107 0.919 1.00 0.00 H new ATOM 0 HG22 VAL A 774 -0.248 -1.186 1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 774 -1.603 -0.648 2.508 1.00 0.00 H new ATOM 320 N THR A 775 0.787 2.031 5.166 1.00 0.00 N ATOM 321 CA THR A 775 1.388 3.112 5.940 1.00 0.00 C ATOM 322 C THR A 775 2.488 2.575 6.857 1.00 0.00 C ATOM 323 O THR A 775 3.581 3.138 6.934 1.00 0.00 O ATOM 324 CB THR A 775 0.325 3.834 6.791 1.00 0.00 C ATOM 325 OG1 THR A 775 -0.896 3.952 6.049 1.00 0.00 O ATOM 326 CG2 THR A 775 0.804 5.215 7.212 1.00 0.00 C ATOM 0 H THR A 775 -0.225 1.953 5.271 1.00 0.00 H new ATOM 0 HA THR A 775 1.822 3.820 5.234 1.00 0.00 H new ATOM 0 HB THR A 775 0.152 3.242 7.690 1.00 0.00 H new ATOM 0 HG1 THR A 775 -1.568 4.410 6.596 1.00 0.00 H new ATOM 0 HG21 THR A 775 0.033 5.700 7.811 1.00 0.00 H new ATOM 0 HG22 THR A 775 1.716 5.120 7.802 1.00 0.00 H new ATOM 0 HG23 THR A 775 1.007 5.816 6.325 1.00 0.00 H new ATOM 334 N GLN A 776 2.192 1.470 7.535 1.00 0.00 N ATOM 335 CA GLN A 776 3.149 0.837 8.432 1.00 0.00 C ATOM 336 C GLN A 776 4.337 0.278 7.655 1.00 0.00 C ATOM 337 O GLN A 776 5.488 0.553 7.989 1.00 0.00 O ATOM 338 CB GLN A 776 2.471 -0.281 9.227 1.00 0.00 C ATOM 339 CG GLN A 776 1.490 0.226 10.268 1.00 0.00 C ATOM 340 CD GLN A 776 1.866 -0.192 11.675 1.00 0.00 C ATOM 341 OE1 GLN A 776 2.871 0.258 12.224 1.00 0.00 O ATOM 342 NE2 GLN A 776 1.063 -1.059 12.268 1.00 0.00 N ATOM 0 H GLN A 776 1.292 0.994 7.478 1.00 0.00 H new ATOM 0 HA GLN A 776 3.517 1.594 9.124 1.00 0.00 H new ATOM 0 HB2 GLN A 776 1.947 -0.941 8.536 1.00 0.00 H new ATOM 0 HB3 GLN A 776 3.236 -0.880 9.721 1.00 0.00 H new ATOM 0 HG2 GLN A 776 1.441 1.314 10.217 1.00 0.00 H new ATOM 0 HG3 GLN A 776 0.493 -0.149 10.036 1.00 0.00 H new ATOM 0 HE21 GLN A 776 0.239 -1.408 11.779 1.00 0.00 H new ATOM 0 HE22 GLN A 776 1.267 -1.378 13.215 1.00 0.00 H new ATOM 351 N ALA A 777 4.046 -0.487 6.606 1.00 0.00 N ATOM 352 CA ALA A 777 5.086 -1.102 5.787 1.00 0.00 C ATOM 353 C ALA A 777 6.031 -0.050 5.217 1.00 0.00 C ATOM 354 O ALA A 777 7.253 -0.218 5.232 1.00 0.00 O ATOM 355 CB ALA A 777 4.458 -1.912 4.662 1.00 0.00 C ATOM 0 H ALA A 777 3.095 -0.696 6.303 1.00 0.00 H new ATOM 0 HA ALA A 777 5.668 -1.769 6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 777 5.244 -2.366 4.058 1.00 0.00 H new ATOM 0 HB2 ALA A 777 3.828 -2.694 5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 777 3.852 -1.257 4.036 1.00 0.00 H new ATOM 361 N LEU A 778 5.455 1.039 4.726 1.00 0.00 N ATOM 362 CA LEU A 778 6.225 2.130 4.150 1.00 0.00 C ATOM 363 C LEU A 778 7.109 2.789 5.201 1.00 0.00 C ATOM 364 O LEU A 778 8.271 3.110 4.938 1.00 0.00 O ATOM 365 CB LEU A 778 5.284 3.163 3.539 1.00 0.00 C ATOM 366 CG LEU A 778 5.910 4.054 2.475 1.00 0.00 C ATOM 367 CD1 LEU A 778 5.795 3.404 1.108 1.00 0.00 C ATOM 368 CD2 LEU A 778 5.249 5.420 2.481 1.00 0.00 C ATOM 0 H LEU A 778 4.446 1.190 4.716 1.00 0.00 H new ATOM 0 HA LEU A 778 6.868 1.721 3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 778 4.433 2.642 3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 778 4.895 3.795 4.337 1.00 0.00 H new ATOM 0 HG LEU A 778 6.968 4.184 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 778 6.247 4.053 0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 778 6.312 2.444 1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 778 4.744 3.248 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 778 5.705 6.048 1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 778 4.185 5.310 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 778 5.382 5.884 3.458 1.00 0.00 H new ATOM 380 N ASN A 779 6.553 2.983 6.392 1.00 0.00 N ATOM 381 CA ASN A 779 7.293 3.583 7.497 1.00 0.00 C ATOM 382 C ASN A 779 8.507 2.729 7.845 1.00 0.00 C ATOM 383 O ASN A 779 9.594 3.248 8.108 1.00 0.00 O ATOM 384 CB ASN A 779 6.392 3.732 8.725 1.00 0.00 C ATOM 385 CG ASN A 779 6.166 5.182 9.104 1.00 0.00 C ATOM 386 OD1 ASN A 779 7.098 5.987 9.117 1.00 0.00 O ATOM 387 ND2 ASN A 779 4.926 5.525 9.420 1.00 0.00 N ATOM 0 H ASN A 779 5.590 2.733 6.617 1.00 0.00 H new ATOM 0 HA ASN A 779 7.632 4.572 7.188 1.00 0.00 H new ATOM 0 HB2 ASN A 779 5.431 3.257 8.527 1.00 0.00 H new ATOM 0 HB3 ASN A 779 6.840 3.205 9.567 1.00 0.00 H new ATOM 0 HD21 ASN A 779 4.715 6.487 9.687 1.00 0.00 H new ATOM 0 HD22 ASN A 779 4.182 4.827 9.397 1.00 0.00 H new ATOM 394 N GLU A 780 8.311 1.414 7.836 1.00 0.00 N ATOM 395 CA GLU A 780 9.386 0.463 8.097 1.00 0.00 C ATOM 396 C GLU A 780 10.467 0.567 7.028 1.00 0.00 C ATOM 397 O GLU A 780 11.662 0.605 7.328 1.00 0.00 O ATOM 398 CB GLU A 780 8.841 -0.967 8.111 1.00 0.00 C ATOM 399 CG GLU A 780 7.760 -1.206 9.149 1.00 0.00 C ATOM 400 CD GLU A 780 8.178 -0.788 10.543 1.00 0.00 C ATOM 401 OE1 GLU A 780 9.359 -0.972 10.897 1.00 0.00 O ATOM 402 OE2 GLU A 780 7.315 -0.284 11.299 1.00 0.00 O ATOM 0 H GLU A 780 7.407 0.979 7.649 1.00 0.00 H new ATOM 0 HA GLU A 780 9.815 0.702 9.070 1.00 0.00 H new ATOM 0 HB2 GLU A 780 8.441 -1.202 7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 780 9.665 -1.657 8.294 1.00 0.00 H new ATOM 0 HG2 GLU A 780 6.862 -0.657 8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 780 7.498 -2.264 9.156 1.00 0.00 H new ATOM 409 N LEU A 781 10.028 0.618 5.781 1.00 0.00 N ATOM 410 CA LEU A 781 10.931 0.618 4.642 1.00 0.00 C ATOM 411 C LEU A 781 11.862 1.826 4.648 1.00 0.00 C ATOM 412 O LEU A 781 13.046 1.697 4.339 1.00 0.00 O ATOM 413 CB LEU A 781 10.136 0.591 3.344 1.00 0.00 C ATOM 414 CG LEU A 781 10.962 0.281 2.102 1.00 0.00 C ATOM 415 CD1 LEU A 781 10.942 -1.212 1.812 1.00 0.00 C ATOM 416 CD2 LEU A 781 10.442 1.074 0.917 1.00 0.00 C ATOM 0 H LEU A 781 9.040 0.660 5.530 1.00 0.00 H new ATOM 0 HA LEU A 781 11.548 -0.278 4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 781 9.345 -0.153 3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 781 9.651 1.558 3.210 1.00 0.00 H new ATOM 0 HG LEU A 781 11.996 0.575 2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 781 11.536 -1.418 0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 781 11.360 -1.753 2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 781 9.915 -1.537 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 781 11.040 0.844 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 781 9.402 0.808 0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 781 10.510 2.140 1.134 1.00 0.00 H new ATOM 428 N LEU A 782 11.334 2.989 5.004 1.00 0.00 N ATOM 429 CA LEU A 782 12.125 4.214 4.987 1.00 0.00 C ATOM 430 C LEU A 782 13.332 4.103 5.916 1.00 0.00 C ATOM 431 O LEU A 782 14.450 4.450 5.533 1.00 0.00 O ATOM 432 CB LEU A 782 11.263 5.417 5.366 1.00 0.00 C ATOM 433 CG LEU A 782 10.748 6.233 4.177 1.00 0.00 C ATOM 434 CD1 LEU A 782 9.964 7.442 4.655 1.00 0.00 C ATOM 435 CD2 LEU A 782 11.904 6.663 3.284 1.00 0.00 C ATOM 0 H LEU A 782 10.368 3.111 5.306 1.00 0.00 H new ATOM 0 HA LEU A 782 12.495 4.360 3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 782 10.409 5.067 5.946 1.00 0.00 H new ATOM 0 HB3 LEU A 782 11.843 6.073 6.016 1.00 0.00 H new ATOM 0 HG LEU A 782 10.078 5.602 3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 782 9.607 8.008 3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 782 9.113 7.112 5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 782 10.608 8.076 5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 782 11.519 7.242 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 782 12.599 7.275 3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 782 12.422 5.780 2.909 1.00 0.00 H new ATOM 447 N GLN A 783 13.110 3.602 7.126 1.00 0.00 N ATOM 448 CA GLN A 783 14.204 3.390 8.070 1.00 0.00 C ATOM 449 C GLN A 783 15.108 2.268 7.574 1.00 0.00 C ATOM 450 O GLN A 783 16.331 2.327 7.709 1.00 0.00 O ATOM 451 CB GLN A 783 13.669 3.038 9.461 1.00 0.00 C ATOM 452 CG GLN A 783 12.466 3.859 9.890 1.00 0.00 C ATOM 453 CD GLN A 783 11.682 3.191 11.001 1.00 0.00 C ATOM 454 OE1 GLN A 783 12.190 2.997 12.106 1.00 0.00 O ATOM 455 NE2 GLN A 783 10.444 2.831 10.713 1.00 0.00 N ATOM 0 H GLN A 783 12.189 3.336 7.476 1.00 0.00 H new ATOM 0 HA GLN A 783 14.774 4.316 8.142 1.00 0.00 H new ATOM 0 HB2 GLN A 783 13.399 1.982 9.478 1.00 0.00 H new ATOM 0 HB3 GLN A 783 14.467 3.175 10.191 1.00 0.00 H new ATOM 0 HG2 GLN A 783 12.800 4.842 10.224 1.00 0.00 H new ATOM 0 HG3 GLN A 783 11.813 4.018 9.032 1.00 0.00 H new ATOM 0 HE21 GLN A 783 10.063 3.011 9.784 1.00 0.00 H new ATOM 0 HE22 GLN A 783 9.869 2.373 11.420 1.00 0.00 H new ATOM 464 N HIS A 784 14.486 1.251 6.990 1.00 0.00 N ATOM 465 CA HIS A 784 15.201 0.094 6.461 1.00 0.00 C ATOM 466 C HIS A 784 16.250 0.510 5.440 1.00 0.00 C ATOM 467 O HIS A 784 17.403 0.092 5.516 1.00 0.00 O ATOM 468 CB HIS A 784 14.221 -0.876 5.802 1.00 0.00 C ATOM 469 CG HIS A 784 14.187 -2.227 6.434 1.00 0.00 C ATOM 470 ND1 HIS A 784 15.312 -2.881 6.889 1.00 0.00 N ATOM 471 CD2 HIS A 784 13.148 -3.050 6.692 1.00 0.00 C ATOM 472 CE1 HIS A 784 14.963 -4.043 7.400 1.00 0.00 C ATOM 473 NE2 HIS A 784 13.658 -4.170 7.293 1.00 0.00 N ATOM 0 H HIS A 784 13.474 1.204 6.870 1.00 0.00 H new ATOM 0 HA HIS A 784 15.701 -0.394 7.298 1.00 0.00 H new ATOM 0 HB2 HIS A 784 13.220 -0.445 5.836 1.00 0.00 H new ATOM 0 HB3 HIS A 784 14.485 -0.985 4.750 1.00 0.00 H new ATOM 0 HD2 HIS A 784 12.109 -2.860 6.467 1.00 0.00 H new ATOM 0 HE1 HIS A 784 15.635 -4.769 7.834 1.00 0.00 H new ATOM 0 HE2 HIS A 784 13.114 -4.973 7.607 1.00 0.00 H new ATOM 482 N VAL A 785 15.836 1.331 4.490 1.00 0.00 N ATOM 483 CA VAL A 785 16.700 1.740 3.395 1.00 0.00 C ATOM 484 C VAL A 785 17.763 2.735 3.859 1.00 0.00 C ATOM 485 O VAL A 785 18.930 2.635 3.480 1.00 0.00 O ATOM 486 CB VAL A 785 15.871 2.367 2.249 1.00 0.00 C ATOM 487 CG1 VAL A 785 16.767 2.871 1.127 1.00 0.00 C ATOM 488 CG2 VAL A 785 14.858 1.363 1.715 1.00 0.00 C ATOM 0 H VAL A 785 14.898 1.731 4.455 1.00 0.00 H new ATOM 0 HA VAL A 785 17.202 0.844 3.030 1.00 0.00 H new ATOM 0 HB VAL A 785 15.334 3.224 2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 785 16.153 3.305 0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 785 17.447 3.629 1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 785 17.344 2.040 0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 785 14.283 1.820 0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 785 15.381 0.485 1.335 1.00 0.00 H new ATOM 0 HG23 VAL A 785 14.184 1.064 2.518 1.00 0.00 H new ATOM 498 N LYS A 786 17.366 3.678 4.698 1.00 0.00 N ATOM 499 CA LYS A 786 18.262 4.750 5.110 1.00 0.00 C ATOM 500 C LYS A 786 19.328 4.267 6.093 1.00 0.00 C ATOM 501 O LYS A 786 20.452 4.771 6.092 1.00 0.00 O ATOM 502 CB LYS A 786 17.464 5.893 5.732 1.00 0.00 C ATOM 503 CG LYS A 786 17.272 7.076 4.799 1.00 0.00 C ATOM 504 CD LYS A 786 15.853 7.141 4.261 1.00 0.00 C ATOM 505 CE LYS A 786 15.047 8.230 4.950 1.00 0.00 C ATOM 506 NZ LYS A 786 15.312 9.569 4.363 1.00 0.00 N ATOM 0 H LYS A 786 16.433 3.724 5.107 1.00 0.00 H new ATOM 0 HA LYS A 786 18.775 5.103 4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 786 16.487 5.519 6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 786 17.972 6.231 6.635 1.00 0.00 H new ATOM 0 HG2 LYS A 786 17.503 8.000 5.330 1.00 0.00 H new ATOM 0 HG3 LYS A 786 17.973 7.002 3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 786 15.878 7.329 3.188 1.00 0.00 H new ATOM 0 HD3 LYS A 786 15.363 6.178 4.405 1.00 0.00 H new ATOM 0 HE2 LYS A 786 13.984 8.002 4.869 1.00 0.00 H new ATOM 0 HE3 LYS A 786 15.290 8.245 6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 786 14.596 10.244 4.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 786 16.257 9.894 4.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 786 15.269 9.508 3.326 1.00 0.00 H new ATOM 520 N ALA A 787 18.986 3.289 6.921 1.00 0.00 N ATOM 521 CA ALA A 787 19.881 2.868 7.992 1.00 0.00 C ATOM 522 C ALA A 787 20.567 1.530 7.709 1.00 0.00 C ATOM 523 O ALA A 787 21.454 1.123 8.457 1.00 0.00 O ATOM 524 CB ALA A 787 19.118 2.790 9.305 1.00 0.00 C ATOM 0 H ALA A 787 18.105 2.777 6.874 1.00 0.00 H new ATOM 0 HA ALA A 787 20.668 3.619 8.058 1.00 0.00 H new ATOM 0 HB1 ALA A 787 19.794 2.475 10.100 1.00 0.00 H new ATOM 0 HB2 ALA A 787 18.707 3.770 9.546 1.00 0.00 H new ATOM 0 HB3 ALA A 787 18.306 2.069 9.212 1.00 0.00 H new ATOM 530 N HIS A 788 20.172 0.839 6.645 1.00 0.00 N ATOM 531 CA HIS A 788 20.721 -0.493 6.379 1.00 0.00 C ATOM 532 C HIS A 788 21.120 -0.661 4.918 1.00 0.00 C ATOM 533 O HIS A 788 20.857 -1.702 4.314 1.00 0.00 O ATOM 534 CB HIS A 788 19.716 -1.587 6.756 1.00 0.00 C ATOM 535 CG HIS A 788 19.206 -1.502 8.161 1.00 0.00 C ATOM 536 ND1 HIS A 788 19.851 -2.072 9.236 1.00 0.00 N ATOM 537 CD2 HIS A 788 18.098 -0.912 8.662 1.00 0.00 C ATOM 538 CE1 HIS A 788 19.159 -1.840 10.334 1.00 0.00 C ATOM 539 NE2 HIS A 788 18.091 -1.137 10.013 1.00 0.00 N ATOM 0 H HIS A 788 19.488 1.167 5.963 1.00 0.00 H new ATOM 0 HA HIS A 788 21.614 -0.592 6.996 1.00 0.00 H new ATOM 0 HB2 HIS A 788 18.869 -1.537 6.072 1.00 0.00 H new ATOM 0 HB3 HIS A 788 20.186 -2.560 6.611 1.00 0.00 H new ATOM 0 HD2 HIS A 788 17.355 -0.364 8.101 1.00 0.00 H new ATOM 0 HE1 HIS A 788 19.422 -2.170 11.328 1.00 0.00 H new ATOM 0 HE2 HIS A 788 17.376 -0.813 10.665 1.00 0.00 H new ATOM 548 N ALA A 789 21.758 0.351 4.355 1.00 0.00 N ATOM 549 CA ALA A 789 22.224 0.280 2.979 1.00 0.00 C ATOM 550 C ALA A 789 23.689 0.672 2.891 1.00 0.00 C ATOM 551 O ALA A 789 24.352 0.858 3.912 1.00 0.00 O ATOM 552 CB ALA A 789 21.394 1.180 2.084 1.00 0.00 C ATOM 0 H ALA A 789 21.965 1.231 4.828 1.00 0.00 H new ATOM 0 HA ALA A 789 22.113 -0.749 2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 789 21.760 1.112 1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 789 20.351 0.866 2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 789 21.474 2.211 2.430 1.00 0.00 H new ATOM 558 N THR A 790 24.199 0.789 1.674 1.00 0.00 N ATOM 559 CA THR A 790 25.570 1.218 1.472 1.00 0.00 C ATOM 560 C THR A 790 25.669 2.743 1.443 1.00 0.00 C ATOM 561 O THR A 790 26.762 3.307 1.526 1.00 0.00 O ATOM 562 CB THR A 790 26.153 0.640 0.170 1.00 0.00 C ATOM 563 OG1 THR A 790 25.409 -0.523 -0.227 1.00 0.00 O ATOM 564 CG2 THR A 790 27.619 0.276 0.350 1.00 0.00 C ATOM 0 H THR A 790 23.684 0.593 0.816 1.00 0.00 H new ATOM 0 HA THR A 790 26.151 0.840 2.313 1.00 0.00 H new ATOM 0 HB THR A 790 26.077 1.401 -0.607 1.00 0.00 H new ATOM 0 HG1 THR A 790 25.402 -1.173 0.506 1.00 0.00 H new ATOM 0 HG21 THR A 790 28.010 -0.130 -0.583 1.00 0.00 H new ATOM 0 HG22 THR A 790 28.184 1.167 0.623 1.00 0.00 H new ATOM 0 HG23 THR A 790 27.714 -0.470 1.139 1.00 0.00 H new ATOM 572 N GLY A 791 24.522 3.402 1.332 1.00 0.00 N ATOM 573 CA GLY A 791 24.497 4.852 1.293 1.00 0.00 C ATOM 574 C GLY A 791 24.883 5.395 -0.068 1.00 0.00 C ATOM 575 O GLY A 791 24.029 5.851 -0.828 1.00 0.00 O ATOM 0 H GLY A 791 23.606 2.957 1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 791 23.498 5.204 1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 791 25.179 5.246 2.046 1.00 0.00 H new ATOM 579 N ALA A 792 26.167 5.339 -0.380 1.00 0.00 N ATOM 580 CA ALA A 792 26.666 5.824 -1.656 1.00 0.00 C ATOM 581 C ALA A 792 26.908 4.665 -2.613 1.00 0.00 C ATOM 582 O ALA A 792 27.734 3.788 -2.346 1.00 0.00 O ATOM 583 CB ALA A 792 27.943 6.628 -1.456 1.00 0.00 C ATOM 0 H ALA A 792 26.886 4.960 0.236 1.00 0.00 H new ATOM 0 HA ALA A 792 25.912 6.477 -2.095 1.00 0.00 H new ATOM 0 HB1 ALA A 792 28.304 6.984 -2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 792 27.739 7.480 -0.808 1.00 0.00 H new ATOM 0 HB3 ALA A 792 28.702 5.996 -0.995 1.00 0.00 H new ATOM 589 N GLY A 793 26.181 4.660 -3.718 1.00 0.00 N ATOM 590 CA GLY A 793 26.323 3.606 -4.698 1.00 0.00 C ATOM 591 C GLY A 793 25.007 2.910 -4.980 1.00 0.00 C ATOM 592 O GLY A 793 24.026 3.561 -5.349 1.00 0.00 O ATOM 0 H GLY A 793 25.490 5.372 -3.955 1.00 0.00 H new ATOM 0 HA2 GLY A 793 26.718 4.023 -5.624 1.00 0.00 H new ATOM 0 HA3 GLY A 793 27.050 2.876 -4.342 1.00 0.00 H new ATOM 596 N PRO A 794 24.947 1.582 -4.794 1.00 0.00 N ATOM 597 CA PRO A 794 23.733 0.798 -5.037 1.00 0.00 C ATOM 598 C PRO A 794 22.722 0.930 -3.899 1.00 0.00 C ATOM 599 O PRO A 794 22.269 -0.062 -3.333 1.00 0.00 O ATOM 600 CB PRO A 794 24.262 -0.632 -5.127 1.00 0.00 C ATOM 601 CG PRO A 794 25.467 -0.643 -4.252 1.00 0.00 C ATOM 602 CD PRO A 794 26.066 0.737 -4.333 1.00 0.00 C ATOM 0 HA PRO A 794 23.197 1.127 -5.927 1.00 0.00 H new ATOM 0 HB2 PRO A 794 23.518 -1.352 -4.786 1.00 0.00 H new ATOM 0 HB3 PRO A 794 24.515 -0.897 -6.154 1.00 0.00 H new ATOM 0 HG2 PRO A 794 25.198 -0.890 -3.225 1.00 0.00 H new ATOM 0 HG3 PRO A 794 26.181 -1.396 -4.585 1.00 0.00 H new ATOM 0 HD2 PRO A 794 26.443 1.066 -3.365 1.00 0.00 H new ATOM 0 HD3 PRO A 794 26.904 0.769 -5.029 1.00 0.00 H new ATOM 610 N ALA A 795 22.382 2.167 -3.569 1.00 0.00 N ATOM 611 CA ALA A 795 21.450 2.449 -2.492 1.00 0.00 C ATOM 612 C ALA A 795 20.762 3.785 -2.724 1.00 0.00 C ATOM 613 O ALA A 795 21.197 4.819 -2.213 1.00 0.00 O ATOM 614 CB ALA A 795 22.176 2.451 -1.154 1.00 0.00 C ATOM 0 H ALA A 795 22.743 2.998 -4.038 1.00 0.00 H new ATOM 0 HA ALA A 795 20.690 1.667 -2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 795 21.466 2.664 -0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 795 22.630 1.475 -0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 795 22.952 3.216 -1.162 1.00 0.00 H new ATOM 620 N GLY A 796 19.700 3.765 -3.512 1.00 0.00 N ATOM 621 CA GLY A 796 18.972 4.979 -3.796 1.00 0.00 C ATOM 622 C GLY A 796 17.908 5.252 -2.757 1.00 0.00 C ATOM 623 O GLY A 796 17.222 4.338 -2.307 1.00 0.00 O ATOM 0 H GLY A 796 19.329 2.927 -3.960 1.00 0.00 H new ATOM 0 HA2 GLY A 796 19.666 5.818 -3.835 1.00 0.00 H new ATOM 0 HA3 GLY A 796 18.509 4.903 -4.780 1.00 0.00 H new ATOM 627 N ARG A 797 17.778 6.503 -2.353 1.00 0.00 N ATOM 628 CA ARG A 797 16.752 6.881 -1.398 1.00 0.00 C ATOM 629 C ARG A 797 15.479 7.271 -2.130 1.00 0.00 C ATOM 630 O ARG A 797 15.410 8.325 -2.760 1.00 0.00 O ATOM 631 CB ARG A 797 17.226 8.037 -0.520 1.00 0.00 C ATOM 632 CG ARG A 797 17.558 7.621 0.902 1.00 0.00 C ATOM 633 CD ARG A 797 19.030 7.271 1.046 1.00 0.00 C ATOM 634 NE ARG A 797 19.898 8.325 0.527 1.00 0.00 N ATOM 635 CZ ARG A 797 21.126 8.119 0.062 1.00 0.00 C ATOM 636 NH1 ARG A 797 21.656 6.902 0.082 1.00 0.00 N ATOM 637 NH2 ARG A 797 21.832 9.137 -0.408 1.00 0.00 N ATOM 0 H ARG A 797 18.368 7.272 -2.670 1.00 0.00 H new ATOM 0 HA ARG A 797 16.548 6.024 -0.756 1.00 0.00 H new ATOM 0 HB2 ARG A 797 18.108 8.489 -0.973 1.00 0.00 H new ATOM 0 HB3 ARG A 797 16.452 8.804 -0.494 1.00 0.00 H new ATOM 0 HG2 ARG A 797 17.306 8.430 1.588 1.00 0.00 H new ATOM 0 HG3 ARG A 797 16.949 6.762 1.184 1.00 0.00 H new ATOM 0 HD2 ARG A 797 19.260 7.097 2.097 1.00 0.00 H new ATOM 0 HD3 ARG A 797 19.234 6.340 0.517 1.00 0.00 H new ATOM 0 HE ARG A 797 19.539 9.280 0.521 1.00 0.00 H new ATOM 0 HH11 ARG A 797 21.120 6.119 0.456 1.00 0.00 H new ATOM 0 HH12 ARG A 797 22.599 6.750 -0.276 1.00 0.00 H new ATOM 0 HH21 ARG A 797 21.433 10.076 -0.412 1.00 0.00 H new ATOM 0 HH22 ARG A 797 22.775 8.982 -0.765 1.00 0.00 H new ATOM 651 N TYR A 798 14.481 6.412 -2.045 1.00 0.00 N ATOM 652 CA TYR A 798 13.208 6.635 -2.716 1.00 0.00 C ATOM 653 C TYR A 798 12.269 7.440 -1.825 1.00 0.00 C ATOM 654 O TYR A 798 11.101 7.089 -1.661 1.00 0.00 O ATOM 655 CB TYR A 798 12.562 5.294 -3.090 1.00 0.00 C ATOM 656 CG TYR A 798 13.536 4.137 -3.108 1.00 0.00 C ATOM 657 CD1 TYR A 798 13.789 3.401 -1.958 1.00 0.00 C ATOM 658 CD2 TYR A 798 14.208 3.789 -4.272 1.00 0.00 C ATOM 659 CE1 TYR A 798 14.683 2.351 -1.968 1.00 0.00 C ATOM 660 CE2 TYR A 798 15.105 2.740 -4.288 1.00 0.00 C ATOM 661 CZ TYR A 798 15.339 2.025 -3.135 1.00 0.00 C ATOM 662 OH TYR A 798 16.233 0.982 -3.149 1.00 0.00 O ATOM 0 H TYR A 798 14.526 5.543 -1.512 1.00 0.00 H new ATOM 0 HA TYR A 798 13.393 7.202 -3.628 1.00 0.00 H new ATOM 0 HB2 TYR A 798 11.763 5.075 -2.381 1.00 0.00 H new ATOM 0 HB3 TYR A 798 12.100 5.384 -4.073 1.00 0.00 H new ATOM 0 HD1 TYR A 798 13.278 3.655 -1.041 1.00 0.00 H new ATOM 0 HD2 TYR A 798 14.026 4.347 -5.178 1.00 0.00 H new ATOM 0 HE1 TYR A 798 14.868 1.787 -1.066 1.00 0.00 H new ATOM 0 HE2 TYR A 798 15.621 2.481 -5.201 1.00 0.00 H new ATOM 0 HH TYR A 798 17.020 1.233 -3.677 1.00 0.00 H new ATOM 672 N ASP A 799 12.797 8.524 -1.267 1.00 0.00 N ATOM 673 CA ASP A 799 12.051 9.378 -0.344 1.00 0.00 C ATOM 674 C ASP A 799 10.815 9.952 -1.024 1.00 0.00 C ATOM 675 O ASP A 799 9.730 9.993 -0.440 1.00 0.00 O ATOM 676 CB ASP A 799 12.942 10.522 0.150 1.00 0.00 C ATOM 677 CG ASP A 799 13.366 10.361 1.596 1.00 0.00 C ATOM 678 OD1 ASP A 799 12.627 10.813 2.495 1.00 0.00 O ATOM 679 OD2 ASP A 799 14.457 9.806 1.843 1.00 0.00 O ATOM 0 H ASP A 799 13.752 8.837 -1.440 1.00 0.00 H new ATOM 0 HA ASP A 799 11.736 8.771 0.505 1.00 0.00 H new ATOM 0 HB2 ASP A 799 13.830 10.581 -0.479 1.00 0.00 H new ATOM 0 HB3 ASP A 799 12.408 11.466 0.037 1.00 0.00 H new ATOM 684 N GLN A 800 10.988 10.384 -2.265 1.00 0.00 N ATOM 685 CA GLN A 800 9.891 10.927 -3.049 1.00 0.00 C ATOM 686 C GLN A 800 8.858 9.848 -3.338 1.00 0.00 C ATOM 687 O GLN A 800 7.656 10.088 -3.247 1.00 0.00 O ATOM 688 CB GLN A 800 10.412 11.514 -4.360 1.00 0.00 C ATOM 689 CG GLN A 800 11.040 12.888 -4.205 1.00 0.00 C ATOM 690 CD GLN A 800 12.146 13.137 -5.209 1.00 0.00 C ATOM 691 OE1 GLN A 800 11.968 12.936 -6.410 1.00 0.00 O ATOM 692 NE2 GLN A 800 13.295 13.575 -4.724 1.00 0.00 N ATOM 0 H GLN A 800 11.884 10.368 -2.752 1.00 0.00 H new ATOM 0 HA GLN A 800 9.418 11.721 -2.471 1.00 0.00 H new ATOM 0 HB2 GLN A 800 11.149 10.833 -4.786 1.00 0.00 H new ATOM 0 HB3 GLN A 800 9.589 11.578 -5.072 1.00 0.00 H new ATOM 0 HG2 GLN A 800 10.270 13.651 -4.321 1.00 0.00 H new ATOM 0 HG3 GLN A 800 11.440 12.989 -3.196 1.00 0.00 H new ATOM 0 HE21 GLN A 800 13.400 13.728 -3.721 1.00 0.00 H new ATOM 0 HE22 GLN A 800 14.077 13.760 -5.353 1.00 0.00 H new ATOM 701 N ALA A 801 9.337 8.653 -3.670 1.00 0.00 N ATOM 702 CA ALA A 801 8.457 7.531 -3.972 1.00 0.00 C ATOM 703 C ALA A 801 7.595 7.177 -2.767 1.00 0.00 C ATOM 704 O ALA A 801 6.379 7.009 -2.891 1.00 0.00 O ATOM 705 CB ALA A 801 9.268 6.325 -4.421 1.00 0.00 C ATOM 0 H ALA A 801 10.332 8.437 -3.737 1.00 0.00 H new ATOM 0 HA ALA A 801 7.796 7.827 -4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 801 8.595 5.496 -4.642 1.00 0.00 H new ATOM 0 HB2 ALA A 801 9.835 6.581 -5.316 1.00 0.00 H new ATOM 0 HB3 ALA A 801 9.955 6.032 -3.627 1.00 0.00 H new ATOM 711 N THR A 802 8.221 7.086 -1.599 1.00 0.00 N ATOM 712 CA THR A 802 7.498 6.792 -0.373 1.00 0.00 C ATOM 713 C THR A 802 6.496 7.903 -0.069 1.00 0.00 C ATOM 714 O THR A 802 5.360 7.642 0.328 1.00 0.00 O ATOM 715 CB THR A 802 8.463 6.617 0.820 1.00 0.00 C ATOM 716 OG1 THR A 802 9.608 7.458 0.656 1.00 0.00 O ATOM 717 CG2 THR A 802 8.919 5.171 0.936 1.00 0.00 C ATOM 0 H THR A 802 9.226 7.212 -1.478 1.00 0.00 H new ATOM 0 HA THR A 802 6.963 5.854 -0.520 1.00 0.00 H new ATOM 0 HB THR A 802 7.930 6.897 1.729 1.00 0.00 H new ATOM 0 HG1 THR A 802 9.330 8.319 0.278 1.00 0.00 H new ATOM 0 HG21 THR A 802 9.598 5.070 1.783 1.00 0.00 H new ATOM 0 HG22 THR A 802 8.052 4.527 1.087 1.00 0.00 H new ATOM 0 HG23 THR A 802 9.434 4.877 0.021 1.00 0.00 H new ATOM 725 N ASP A 803 6.919 9.141 -0.293 1.00 0.00 N ATOM 726 CA ASP A 803 6.061 10.300 -0.078 1.00 0.00 C ATOM 727 C ASP A 803 4.824 10.228 -0.967 1.00 0.00 C ATOM 728 O ASP A 803 3.710 10.513 -0.522 1.00 0.00 O ATOM 729 CB ASP A 803 6.835 11.588 -0.358 1.00 0.00 C ATOM 730 CG ASP A 803 5.983 12.827 -0.188 1.00 0.00 C ATOM 731 OD1 ASP A 803 5.652 13.173 0.964 1.00 0.00 O ATOM 732 OD2 ASP A 803 5.654 13.470 -1.205 1.00 0.00 O ATOM 0 H ASP A 803 7.856 9.369 -0.625 1.00 0.00 H new ATOM 0 HA ASP A 803 5.738 10.299 0.963 1.00 0.00 H new ATOM 0 HB2 ASP A 803 7.692 11.646 0.313 1.00 0.00 H new ATOM 0 HB3 ASP A 803 7.228 11.558 -1.374 1.00 0.00 H new ATOM 737 N THR A 804 5.023 9.830 -2.221 1.00 0.00 N ATOM 738 CA THR A 804 3.921 9.672 -3.159 1.00 0.00 C ATOM 739 C THR A 804 2.913 8.646 -2.638 1.00 0.00 C ATOM 740 O THR A 804 1.714 8.919 -2.587 1.00 0.00 O ATOM 741 CB THR A 804 4.424 9.239 -4.553 1.00 0.00 C ATOM 742 OG1 THR A 804 5.495 10.094 -4.980 1.00 0.00 O ATOM 743 CG2 THR A 804 3.299 9.282 -5.578 1.00 0.00 C ATOM 0 H THR A 804 5.940 9.611 -2.609 1.00 0.00 H new ATOM 0 HA THR A 804 3.433 10.642 -3.253 1.00 0.00 H new ATOM 0 HB THR A 804 4.785 8.213 -4.476 1.00 0.00 H new ATOM 0 HG1 THR A 804 6.284 9.933 -4.422 1.00 0.00 H new ATOM 0 HG21 THR A 804 3.681 8.972 -6.551 1.00 0.00 H new ATOM 0 HG22 THR A 804 2.500 8.607 -5.270 1.00 0.00 H new ATOM 0 HG23 THR A 804 2.909 10.297 -5.648 1.00 0.00 H new ATOM 751 N ILE A 805 3.411 7.482 -2.227 1.00 0.00 N ATOM 752 CA ILE A 805 2.557 6.422 -1.697 1.00 0.00 C ATOM 753 C ILE A 805 1.760 6.917 -0.495 1.00 0.00 C ATOM 754 O ILE A 805 0.538 6.778 -0.455 1.00 0.00 O ATOM 755 CB ILE A 805 3.385 5.184 -1.288 1.00 0.00 C ATOM 756 CG1 ILE A 805 3.748 4.369 -2.523 1.00 0.00 C ATOM 757 CG2 ILE A 805 2.636 4.318 -0.284 1.00 0.00 C ATOM 758 CD1 ILE A 805 5.196 3.960 -2.549 1.00 0.00 C ATOM 0 H ILE A 805 4.404 7.249 -2.251 1.00 0.00 H new ATOM 0 HA ILE A 805 1.868 6.136 -2.492 1.00 0.00 H new ATOM 0 HB ILE A 805 4.298 5.533 -0.807 1.00 0.00 H new ATOM 0 HG12 ILE A 805 3.123 3.477 -2.560 1.00 0.00 H new ATOM 0 HG13 ILE A 805 3.524 4.953 -3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 805 3.248 3.456 -0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.423 4.901 0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.700 3.976 -0.726 1.00 0.00 H new ATOM 0 HD11 ILE A 805 5.395 3.382 -3.452 1.00 0.00 H new ATOM 0 HD12 ILE A 805 5.826 4.850 -2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 805 5.418 3.351 -1.673 1.00 0.00 H new ATOM 770 N LEU A 806 2.459 7.494 0.475 1.00 0.00 N ATOM 771 CA LEU A 806 1.815 8.020 1.676 1.00 0.00 C ATOM 772 C LEU A 806 0.702 8.998 1.314 1.00 0.00 C ATOM 773 O LEU A 806 -0.415 8.888 1.813 1.00 0.00 O ATOM 774 CB LEU A 806 2.839 8.710 2.580 1.00 0.00 C ATOM 775 CG LEU A 806 3.287 7.896 3.799 1.00 0.00 C ATOM 776 CD1 LEU A 806 3.777 8.815 4.904 1.00 0.00 C ATOM 777 CD2 LEU A 806 2.154 7.016 4.308 1.00 0.00 C ATOM 0 H LEU A 806 3.472 7.610 0.455 1.00 0.00 H new ATOM 0 HA LEU A 806 1.378 7.179 2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 806 3.718 8.956 1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 806 2.416 9.652 2.928 1.00 0.00 H new ATOM 0 HG LEU A 806 4.111 7.252 3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 806 4.091 8.219 5.761 1.00 0.00 H new ATOM 0 HD12 LEU A 806 4.621 9.402 4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 806 2.971 9.485 5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 806 2.495 6.448 5.173 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.308 7.641 4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 806 1.846 6.328 3.521 1.00 0.00 H new ATOM 789 N THR A 807 1.008 9.932 0.418 1.00 0.00 N ATOM 790 CA THR A 807 0.033 10.916 -0.031 1.00 0.00 C ATOM 791 C THR A 807 -1.162 10.239 -0.708 1.00 0.00 C ATOM 792 O THR A 807 -2.311 10.633 -0.501 1.00 0.00 O ATOM 793 CB THR A 807 0.676 11.929 -1.000 1.00 0.00 C ATOM 794 OG1 THR A 807 1.883 12.452 -0.426 1.00 0.00 O ATOM 795 CG2 THR A 807 -0.275 13.074 -1.316 1.00 0.00 C ATOM 0 H THR A 807 1.928 10.027 -0.012 1.00 0.00 H new ATOM 0 HA THR A 807 -0.321 11.450 0.851 1.00 0.00 H new ATOM 0 HB THR A 807 0.904 11.408 -1.930 1.00 0.00 H new ATOM 0 HG1 THR A 807 2.605 11.797 -0.530 1.00 0.00 H new ATOM 0 HG21 THR A 807 0.209 13.770 -2.001 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.179 12.679 -1.779 1.00 0.00 H new ATOM 0 HG23 THR A 807 -0.537 13.595 -0.395 1.00 0.00 H new ATOM 803 N VAL A 808 -0.886 9.210 -1.500 1.00 0.00 N ATOM 804 CA VAL A 808 -1.935 8.464 -2.187 1.00 0.00 C ATOM 805 C VAL A 808 -2.815 7.713 -1.183 1.00 0.00 C ATOM 806 O VAL A 808 -4.042 7.772 -1.254 1.00 0.00 O ATOM 807 CB VAL A 808 -1.332 7.461 -3.198 1.00 0.00 C ATOM 808 CG1 VAL A 808 -2.357 6.424 -3.629 1.00 0.00 C ATOM 809 CG2 VAL A 808 -0.777 8.191 -4.409 1.00 0.00 C ATOM 0 H VAL A 808 0.059 8.872 -1.683 1.00 0.00 H new ATOM 0 HA VAL A 808 -2.548 9.184 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 808 -0.516 6.939 -2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -1.901 5.735 -4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -2.703 5.870 -2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -3.204 6.923 -4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -0.357 7.468 -5.109 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -1.578 8.746 -4.898 1.00 0.00 H new ATOM 0 HG23 VAL A 808 0.003 8.883 -4.091 1.00 0.00 H new ATOM 819 N THR A 809 -2.181 7.017 -0.247 1.00 0.00 N ATOM 820 CA THR A 809 -2.907 6.271 0.775 1.00 0.00 C ATOM 821 C THR A 809 -3.740 7.215 1.640 1.00 0.00 C ATOM 822 O THR A 809 -4.899 6.936 1.956 1.00 0.00 O ATOM 823 CB THR A 809 -1.944 5.464 1.671 1.00 0.00 C ATOM 824 OG1 THR A 809 -0.857 4.952 0.890 1.00 0.00 O ATOM 825 CG2 THR A 809 -2.668 4.310 2.340 1.00 0.00 C ATOM 0 H THR A 809 -1.166 6.953 -0.174 1.00 0.00 H new ATOM 0 HA THR A 809 -3.570 5.574 0.262 1.00 0.00 H new ATOM 0 HB THR A 809 -1.559 6.133 2.441 1.00 0.00 H new ATOM 0 HG1 THR A 809 -0.201 5.663 0.737 1.00 0.00 H new ATOM 0 HG21 THR A 809 -1.969 3.756 2.966 1.00 0.00 H new ATOM 0 HG22 THR A 809 -3.479 4.698 2.957 1.00 0.00 H new ATOM 0 HG23 THR A 809 -3.077 3.646 1.578 1.00 0.00 H new ATOM 833 N GLU A 810 -3.143 8.347 1.992 1.00 0.00 N ATOM 834 CA GLU A 810 -3.821 9.370 2.773 1.00 0.00 C ATOM 835 C GLU A 810 -4.996 9.955 1.978 1.00 0.00 C ATOM 836 O GLU A 810 -6.020 10.346 2.548 1.00 0.00 O ATOM 837 CB GLU A 810 -2.810 10.455 3.169 1.00 0.00 C ATOM 838 CG GLU A 810 -3.435 11.784 3.555 1.00 0.00 C ATOM 839 CD GLU A 810 -2.422 12.904 3.587 1.00 0.00 C ATOM 840 OE1 GLU A 810 -1.907 13.276 2.514 1.00 0.00 O ATOM 841 OE2 GLU A 810 -2.129 13.415 4.684 1.00 0.00 O ATOM 0 H GLU A 810 -2.181 8.579 1.745 1.00 0.00 H new ATOM 0 HA GLU A 810 -4.231 8.931 3.683 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -2.214 10.091 4.006 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -2.125 10.618 2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -4.225 12.031 2.846 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -3.903 11.692 4.535 1.00 0.00 H new ATOM 848 N ASN A 811 -4.847 9.986 0.656 1.00 0.00 N ATOM 849 CA ASN A 811 -5.918 10.428 -0.236 1.00 0.00 C ATOM 850 C ASN A 811 -7.128 9.515 -0.100 1.00 0.00 C ATOM 851 O ASN A 811 -8.264 9.979 -0.026 1.00 0.00 O ATOM 852 CB ASN A 811 -5.446 10.419 -1.692 1.00 0.00 C ATOM 853 CG ASN A 811 -5.127 11.799 -2.220 1.00 0.00 C ATOM 854 OD1 ASN A 811 -5.821 12.770 -1.920 1.00 0.00 O ATOM 855 ND2 ASN A 811 -4.076 11.893 -3.019 1.00 0.00 N ATOM 0 H ASN A 811 -3.991 9.709 0.176 1.00 0.00 H new ATOM 0 HA ASN A 811 -6.193 11.444 0.046 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -4.560 9.790 -1.777 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -6.218 9.967 -2.315 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -3.814 12.797 -3.412 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -3.528 11.062 -3.241 1.00 0.00 H new ATOM 862 N ILE A 812 -6.868 8.211 -0.057 1.00 0.00 N ATOM 863 CA ILE A 812 -7.925 7.218 0.092 1.00 0.00 C ATOM 864 C ILE A 812 -8.670 7.422 1.408 1.00 0.00 C ATOM 865 O ILE A 812 -9.898 7.358 1.451 1.00 0.00 O ATOM 866 CB ILE A 812 -7.358 5.781 0.026 1.00 0.00 C ATOM 867 CG1 ILE A 812 -6.874 5.471 -1.392 1.00 0.00 C ATOM 868 CG2 ILE A 812 -8.403 4.759 0.460 1.00 0.00 C ATOM 869 CD1 ILE A 812 -5.485 4.873 -1.443 1.00 0.00 C ATOM 0 H ILE A 812 -5.929 7.817 -0.124 1.00 0.00 H new ATOM 0 HA ILE A 812 -8.621 7.350 -0.736 1.00 0.00 H new ATOM 0 HB ILE A 812 -6.514 5.716 0.713 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -7.574 4.781 -1.863 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -6.887 6.389 -1.980 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -7.977 3.757 0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -8.710 4.966 1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -9.269 4.822 -0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -5.210 4.680 -2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -4.772 5.570 -1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -5.471 3.938 -0.884 1.00 0.00 H new ATOM 881 N PHE A 813 -7.922 7.697 2.473 1.00 0.00 N ATOM 882 CA PHE A 813 -8.513 7.964 3.781 1.00 0.00 C ATOM 883 C PHE A 813 -9.443 9.172 3.711 1.00 0.00 C ATOM 884 O PHE A 813 -10.509 9.191 4.325 1.00 0.00 O ATOM 885 CB PHE A 813 -7.419 8.219 4.820 1.00 0.00 C ATOM 886 CG PHE A 813 -6.776 6.968 5.343 1.00 0.00 C ATOM 887 CD1 PHE A 813 -7.547 5.941 5.864 1.00 0.00 C ATOM 888 CD2 PHE A 813 -5.399 6.819 5.314 1.00 0.00 C ATOM 889 CE1 PHE A 813 -6.957 4.789 6.344 1.00 0.00 C ATOM 890 CE2 PHE A 813 -4.803 5.670 5.793 1.00 0.00 C ATOM 891 CZ PHE A 813 -5.583 4.655 6.310 1.00 0.00 C ATOM 0 H PHE A 813 -6.903 7.741 2.456 1.00 0.00 H new ATOM 0 HA PHE A 813 -9.090 7.088 4.078 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -6.651 8.853 4.377 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -7.847 8.773 5.656 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -8.622 6.043 5.895 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -4.785 7.611 4.912 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -7.569 3.994 6.745 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -3.729 5.565 5.763 1.00 0.00 H new ATOM 0 HZ PHE A 813 -5.119 3.756 6.688 1.00 0.00 H new ATOM 901 N SER A 814 -9.038 10.165 2.937 1.00 0.00 N ATOM 902 CA SER A 814 -9.799 11.399 2.804 1.00 0.00 C ATOM 903 C SER A 814 -10.913 11.259 1.764 1.00 0.00 C ATOM 904 O SER A 814 -11.688 12.187 1.542 1.00 0.00 O ATOM 905 CB SER A 814 -8.853 12.539 2.425 1.00 0.00 C ATOM 906 OG SER A 814 -7.691 12.526 3.248 1.00 0.00 O ATOM 0 H SER A 814 -8.180 10.141 2.387 1.00 0.00 H new ATOM 0 HA SER A 814 -10.272 11.620 3.761 1.00 0.00 H new ATOM 0 HB2 SER A 814 -8.564 12.445 1.378 1.00 0.00 H new ATOM 0 HB3 SER A 814 -9.367 13.494 2.529 1.00 0.00 H new ATOM 0 HG SER A 814 -7.107 11.787 2.978 1.00 0.00 H new ATOM 912 N SER A 815 -10.994 10.096 1.135 1.00 0.00 N ATOM 913 CA SER A 815 -12.014 9.839 0.129 1.00 0.00 C ATOM 914 C SER A 815 -12.767 8.552 0.447 1.00 0.00 C ATOM 915 O SER A 815 -13.302 7.894 -0.446 1.00 0.00 O ATOM 916 CB SER A 815 -11.376 9.748 -1.258 1.00 0.00 C ATOM 917 OG SER A 815 -10.437 10.794 -1.453 1.00 0.00 O ATOM 0 H SER A 815 -10.363 9.313 1.304 1.00 0.00 H new ATOM 0 HA SER A 815 -12.724 10.666 0.137 1.00 0.00 H new ATOM 0 HB2 SER A 815 -10.881 8.784 -1.372 1.00 0.00 H new ATOM 0 HB3 SER A 815 -12.150 9.802 -2.023 1.00 0.00 H new ATOM 0 HG SER A 815 -9.563 10.518 -1.106 1.00 0.00 H new ATOM 923 N MET A 816 -12.799 8.203 1.726 1.00 0.00 N ATOM 924 CA MET A 816 -13.452 6.979 2.175 1.00 0.00 C ATOM 925 C MET A 816 -14.947 7.030 1.892 1.00 0.00 C ATOM 926 O MET A 816 -15.688 7.787 2.523 1.00 0.00 O ATOM 927 CB MET A 816 -13.207 6.764 3.667 1.00 0.00 C ATOM 928 CG MET A 816 -11.873 6.111 3.968 1.00 0.00 C ATOM 929 SD MET A 816 -11.984 4.319 4.096 1.00 0.00 S ATOM 930 CE MET A 816 -10.247 3.894 4.182 1.00 0.00 C ATOM 0 H MET A 816 -12.378 8.753 2.475 1.00 0.00 H new ATOM 0 HA MET A 816 -13.025 6.142 1.623 1.00 0.00 H new ATOM 0 HB2 MET A 816 -13.257 7.725 4.178 1.00 0.00 H new ATOM 0 HB3 MET A 816 -14.007 6.145 4.074 1.00 0.00 H new ATOM 0 HG2 MET A 816 -11.162 6.371 3.184 1.00 0.00 H new ATOM 0 HG3 MET A 816 -11.480 6.513 4.902 1.00 0.00 H new ATOM 0 HE1 MET A 816 -10.101 3.106 4.921 1.00 0.00 H new ATOM 0 HE2 MET A 816 -9.909 3.544 3.207 1.00 0.00 H new ATOM 0 HE3 MET A 816 -9.671 4.773 4.471 1.00 0.00 H new ATOM 940 N GLY A 817 -15.377 6.234 0.927 1.00 0.00 N ATOM 941 CA GLY A 817 -16.777 6.198 0.566 1.00 0.00 C ATOM 942 C GLY A 817 -17.018 6.718 -0.835 1.00 0.00 C ATOM 943 O GLY A 817 -18.116 6.588 -1.370 1.00 0.00 O ATOM 0 H GLY A 817 -14.779 5.610 0.385 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -17.144 5.174 0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -17.350 6.794 1.277 1.00 0.00 H new ATOM 947 N ASP A 818 -15.991 7.312 -1.433 1.00 0.00 N ATOM 948 CA ASP A 818 -16.106 7.843 -2.789 1.00 0.00 C ATOM 949 C ASP A 818 -16.063 6.721 -3.805 1.00 0.00 C ATOM 950 O ASP A 818 -16.699 6.791 -4.861 1.00 0.00 O ATOM 951 CB ASP A 818 -14.991 8.851 -3.080 1.00 0.00 C ATOM 952 CG ASP A 818 -15.138 9.504 -4.441 1.00 0.00 C ATOM 953 OD1 ASP A 818 -14.704 8.903 -5.445 1.00 0.00 O ATOM 954 OD2 ASP A 818 -15.681 10.627 -4.511 1.00 0.00 O ATOM 0 H ASP A 818 -15.074 7.438 -1.004 1.00 0.00 H new ATOM 0 HA ASP A 818 -17.065 8.355 -2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -14.992 9.622 -2.309 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -14.026 8.347 -3.025 1.00 0.00 H new ATOM 959 N ALA A 819 -15.319 5.690 -3.446 1.00 0.00 N ATOM 960 CA ALA A 819 -15.104 4.507 -4.283 1.00 0.00 C ATOM 961 C ALA A 819 -14.261 4.832 -5.519 1.00 0.00 C ATOM 962 O ALA A 819 -13.152 4.322 -5.667 1.00 0.00 O ATOM 963 CB ALA A 819 -16.430 3.871 -4.686 1.00 0.00 C ATOM 0 H ALA A 819 -14.835 5.644 -2.549 1.00 0.00 H new ATOM 0 HA ALA A 819 -14.547 3.786 -3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -16.240 2.995 -5.307 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -16.976 3.570 -3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -17.023 4.592 -5.248 1.00 0.00 H new ATOM 969 N GLY A 820 -14.778 5.703 -6.380 1.00 0.00 N ATOM 970 CA GLY A 820 -14.106 6.024 -7.628 1.00 0.00 C ATOM 971 C GLY A 820 -12.724 6.618 -7.421 1.00 0.00 C ATOM 972 O GLY A 820 -11.752 6.167 -8.033 1.00 0.00 O ATOM 0 H GLY A 820 -15.659 6.197 -6.234 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -14.020 5.120 -8.231 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -14.717 6.728 -8.193 1.00 0.00 H new ATOM 976 N GLU A 821 -12.633 7.628 -6.564 1.00 0.00 N ATOM 977 CA GLU A 821 -11.351 8.243 -6.238 1.00 0.00 C ATOM 978 C GLU A 821 -10.453 7.241 -5.521 1.00 0.00 C ATOM 979 O GLU A 821 -9.238 7.227 -5.713 1.00 0.00 O ATOM 980 CB GLU A 821 -11.560 9.483 -5.360 1.00 0.00 C ATOM 981 CG GLU A 821 -10.267 10.173 -4.952 1.00 0.00 C ATOM 982 CD GLU A 821 -9.622 10.924 -6.097 1.00 0.00 C ATOM 983 OE1 GLU A 821 -8.998 10.278 -6.964 1.00 0.00 O ATOM 984 OE2 GLU A 821 -9.742 12.166 -6.140 1.00 0.00 O ATOM 0 H GLU A 821 -13.432 8.039 -6.082 1.00 0.00 H new ATOM 0 HA GLU A 821 -10.868 8.549 -7.166 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -12.187 10.195 -5.897 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -12.105 9.193 -4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -10.471 10.867 -4.137 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -9.567 9.429 -4.570 1.00 0.00 H new ATOM 991 N MET A 822 -11.067 6.387 -4.713 1.00 0.00 N ATOM 992 CA MET A 822 -10.330 5.385 -3.957 1.00 0.00 C ATOM 993 C MET A 822 -9.629 4.415 -4.897 1.00 0.00 C ATOM 994 O MET A 822 -8.446 4.127 -4.730 1.00 0.00 O ATOM 995 CB MET A 822 -11.268 4.620 -3.028 1.00 0.00 C ATOM 996 CG MET A 822 -11.694 5.409 -1.802 1.00 0.00 C ATOM 997 SD MET A 822 -13.129 4.688 -0.987 1.00 0.00 S ATOM 998 CE MET A 822 -12.609 2.978 -0.879 1.00 0.00 C ATOM 0 H MET A 822 -12.076 6.369 -4.565 1.00 0.00 H new ATOM 0 HA MET A 822 -9.579 5.897 -3.356 1.00 0.00 H new ATOM 0 HB2 MET A 822 -12.157 4.326 -3.586 1.00 0.00 H new ATOM 0 HB3 MET A 822 -10.776 3.702 -2.705 1.00 0.00 H new ATOM 0 HG2 MET A 822 -10.864 5.456 -1.097 1.00 0.00 H new ATOM 0 HG3 MET A 822 -11.922 6.434 -2.094 1.00 0.00 H new ATOM 0 HE1 MET A 822 -13.249 2.447 -0.174 1.00 0.00 H new ATOM 0 HE2 MET A 822 -12.685 2.512 -1.861 1.00 0.00 H new ATOM 0 HE3 MET A 822 -11.576 2.933 -0.536 1.00 0.00 H new ATOM 1008 N VAL A 823 -10.361 3.923 -5.890 1.00 0.00 N ATOM 1009 CA VAL A 823 -9.790 3.024 -6.885 1.00 0.00 C ATOM 1010 C VAL A 823 -8.751 3.759 -7.727 1.00 0.00 C ATOM 1011 O VAL A 823 -7.699 3.207 -8.049 1.00 0.00 O ATOM 1012 CB VAL A 823 -10.875 2.422 -7.806 1.00 0.00 C ATOM 1013 CG1 VAL A 823 -10.254 1.488 -8.833 1.00 0.00 C ATOM 1014 CG2 VAL A 823 -11.926 1.689 -6.988 1.00 0.00 C ATOM 0 H VAL A 823 -11.350 4.131 -6.027 1.00 0.00 H new ATOM 0 HA VAL A 823 -9.313 2.205 -6.347 1.00 0.00 H new ATOM 0 HB VAL A 823 -11.360 3.241 -8.337 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -11.036 1.076 -9.470 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -9.542 2.042 -9.445 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -9.738 0.676 -8.321 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -12.681 1.272 -7.655 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -11.453 0.883 -6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -12.398 2.385 -6.295 1.00 0.00 H new ATOM 1024 N ARG A 824 -9.048 5.013 -8.065 1.00 0.00 N ATOM 1025 CA ARG A 824 -8.107 5.859 -8.795 1.00 0.00 C ATOM 1026 C ARG A 824 -6.782 5.938 -8.052 1.00 0.00 C ATOM 1027 O ARG A 824 -5.724 5.682 -8.626 1.00 0.00 O ATOM 1028 CB ARG A 824 -8.686 7.264 -8.990 1.00 0.00 C ATOM 1029 CG ARG A 824 -8.019 8.048 -10.110 1.00 0.00 C ATOM 1030 CD ARG A 824 -8.027 9.543 -9.831 1.00 0.00 C ATOM 1031 NE ARG A 824 -8.879 10.271 -10.771 1.00 0.00 N ATOM 1032 CZ ARG A 824 -9.997 10.917 -10.427 1.00 0.00 C ATOM 1033 NH1 ARG A 824 -10.375 10.974 -9.155 1.00 0.00 N ATOM 1034 NH2 ARG A 824 -10.726 11.519 -11.356 1.00 0.00 N ATOM 0 H ARG A 824 -9.935 5.466 -7.844 1.00 0.00 H new ATOM 0 HA ARG A 824 -7.935 5.415 -9.775 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -9.752 7.182 -9.200 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -8.586 7.821 -8.059 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -6.991 7.706 -10.232 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -8.534 7.850 -11.050 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -8.376 9.720 -8.814 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -7.009 9.928 -9.891 1.00 0.00 H new ATOM 0 HE ARG A 824 -8.602 10.287 -11.752 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -9.811 10.523 -8.435 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -11.229 11.469 -8.899 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -10.433 11.489 -12.333 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -11.580 12.012 -11.094 1.00 0.00 H new ATOM 1048 N GLN A 825 -6.851 6.269 -6.769 1.00 0.00 N ATOM 1049 CA GLN A 825 -5.662 6.347 -5.936 1.00 0.00 C ATOM 1050 C GLN A 825 -5.018 4.973 -5.791 1.00 0.00 C ATOM 1051 O GLN A 825 -3.797 4.845 -5.821 1.00 0.00 O ATOM 1052 CB GLN A 825 -6.005 6.904 -4.556 1.00 0.00 C ATOM 1053 CG GLN A 825 -6.432 8.364 -4.555 1.00 0.00 C ATOM 1054 CD GLN A 825 -5.633 9.232 -5.503 1.00 0.00 C ATOM 1055 OE1 GLN A 825 -4.425 9.398 -5.339 1.00 0.00 O ATOM 1056 NE2 GLN A 825 -6.303 9.808 -6.488 1.00 0.00 N ATOM 0 H GLN A 825 -7.721 6.488 -6.283 1.00 0.00 H new ATOM 0 HA GLN A 825 -4.955 7.020 -6.421 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -6.806 6.304 -4.124 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -5.137 6.792 -3.906 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -7.487 8.425 -4.822 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -6.336 8.761 -3.544 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -7.305 9.643 -6.588 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -5.818 10.417 -7.147 1.00 0.00 H new ATOM 1065 N ALA A 826 -5.847 3.946 -5.650 1.00 0.00 N ATOM 1066 CA ALA A 826 -5.363 2.579 -5.502 1.00 0.00 C ATOM 1067 C ALA A 826 -4.515 2.161 -6.703 1.00 0.00 C ATOM 1068 O ALA A 826 -3.558 1.401 -6.557 1.00 0.00 O ATOM 1069 CB ALA A 826 -6.531 1.621 -5.300 1.00 0.00 C ATOM 0 H ALA A 826 -6.863 4.035 -5.635 1.00 0.00 H new ATOM 0 HA ALA A 826 -4.726 2.537 -4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -6.153 0.604 -5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -7.081 1.902 -4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -7.196 1.671 -6.163 1.00 0.00 H new ATOM 1075 N ARG A 827 -4.860 2.665 -7.887 1.00 0.00 N ATOM 1076 CA ARG A 827 -4.066 2.403 -9.085 1.00 0.00 C ATOM 1077 C ARG A 827 -2.677 3.012 -8.937 1.00 0.00 C ATOM 1078 O ARG A 827 -1.668 2.364 -9.223 1.00 0.00 O ATOM 1079 CB ARG A 827 -4.733 2.982 -10.331 1.00 0.00 C ATOM 1080 CG ARG A 827 -6.055 2.330 -10.692 1.00 0.00 C ATOM 1081 CD ARG A 827 -7.057 3.373 -11.151 1.00 0.00 C ATOM 1082 NE ARG A 827 -8.214 2.789 -11.823 1.00 0.00 N ATOM 1083 CZ ARG A 827 -8.942 3.443 -12.725 1.00 0.00 C ATOM 1084 NH1 ARG A 827 -8.571 4.655 -13.119 1.00 0.00 N ATOM 1085 NH2 ARG A 827 -10.028 2.887 -13.245 1.00 0.00 N ATOM 0 H ARG A 827 -5.679 3.253 -8.041 1.00 0.00 H new ATOM 0 HA ARG A 827 -3.988 1.322 -9.199 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -4.897 4.049 -10.178 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -4.050 2.882 -11.174 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -5.900 1.594 -11.481 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -6.450 1.794 -9.829 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -7.395 3.949 -10.290 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -6.564 4.071 -11.827 1.00 0.00 H new ATOM 0 HE ARG A 827 -8.478 1.832 -11.590 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -7.730 5.082 -12.731 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -9.127 5.159 -13.810 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -10.311 1.951 -12.954 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -10.580 3.395 -13.936 1.00 0.00 H new ATOM 1099 N ILE A 828 -2.639 4.261 -8.483 1.00 0.00 N ATOM 1100 CA ILE A 828 -1.382 4.965 -8.262 1.00 0.00 C ATOM 1101 C ILE A 828 -0.568 4.265 -7.182 1.00 0.00 C ATOM 1102 O ILE A 828 0.641 4.081 -7.322 1.00 0.00 O ATOM 1103 CB ILE A 828 -1.617 6.436 -7.848 1.00 0.00 C ATOM 1104 CG1 ILE A 828 -2.681 7.081 -8.740 1.00 0.00 C ATOM 1105 CG2 ILE A 828 -0.317 7.222 -7.920 1.00 0.00 C ATOM 1106 CD1 ILE A 828 -3.653 7.972 -7.994 1.00 0.00 C ATOM 0 H ILE A 828 -3.470 4.808 -8.260 1.00 0.00 H new ATOM 0 HA ILE A 828 -0.834 4.955 -9.204 1.00 0.00 H new ATOM 0 HB ILE A 828 -1.975 6.451 -6.818 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -2.185 7.669 -9.513 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -3.240 6.295 -9.247 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -0.500 8.255 -7.626 1.00 0.00 H new ATOM 0 HG22 ILE A 828 0.415 6.777 -7.246 1.00 0.00 H new ATOM 0 HG23 ILE A 828 0.067 7.198 -8.940 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -4.375 8.391 -8.695 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -4.178 7.386 -7.240 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -3.107 8.781 -7.509 1.00 0.00 H new ATOM 1118 N LEU A 829 -1.248 3.866 -6.115 1.00 0.00 N ATOM 1119 CA LEU A 829 -0.620 3.139 -5.020 1.00 0.00 C ATOM 1120 C LEU A 829 0.016 1.850 -5.530 1.00 0.00 C ATOM 1121 O LEU A 829 1.179 1.566 -5.248 1.00 0.00 O ATOM 1122 CB LEU A 829 -1.658 2.825 -3.936 1.00 0.00 C ATOM 1123 CG LEU A 829 -1.108 2.198 -2.649 1.00 0.00 C ATOM 1124 CD1 LEU A 829 0.133 2.938 -2.175 1.00 0.00 C ATOM 1125 CD2 LEU A 829 -2.176 2.203 -1.566 1.00 0.00 C ATOM 0 H LEU A 829 -2.245 4.036 -5.985 1.00 0.00 H new ATOM 0 HA LEU A 829 0.163 3.763 -4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -2.175 3.749 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -2.403 2.150 -4.357 1.00 0.00 H new ATOM 0 HG LEU A 829 -0.827 1.166 -2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 829 0.505 2.476 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 829 0.902 2.889 -2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -0.118 3.980 -1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -1.774 1.755 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -2.482 3.229 -1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -3.039 1.628 -1.903 1.00 0.00 H new ATOM 1137 N ALA A 830 -0.749 1.087 -6.302 1.00 0.00 N ATOM 1138 CA ALA A 830 -0.263 -0.165 -6.863 1.00 0.00 C ATOM 1139 C ALA A 830 0.963 0.072 -7.733 1.00 0.00 C ATOM 1140 O ALA A 830 1.979 -0.608 -7.586 1.00 0.00 O ATOM 1141 CB ALA A 830 -1.361 -0.845 -7.666 1.00 0.00 C ATOM 0 H ALA A 830 -1.711 1.316 -6.553 1.00 0.00 H new ATOM 0 HA ALA A 830 0.025 -0.820 -6.041 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -0.983 -1.780 -8.080 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -2.211 -1.053 -7.016 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -1.676 -0.190 -8.478 1.00 0.00 H new ATOM 1147 N GLN A 831 0.868 1.061 -8.615 1.00 0.00 N ATOM 1148 CA GLN A 831 1.952 1.388 -9.533 1.00 0.00 C ATOM 1149 C GLN A 831 3.215 1.792 -8.773 1.00 0.00 C ATOM 1150 O GLN A 831 4.304 1.274 -9.043 1.00 0.00 O ATOM 1151 CB GLN A 831 1.520 2.521 -10.468 1.00 0.00 C ATOM 1152 CG GLN A 831 2.614 2.987 -11.416 1.00 0.00 C ATOM 1153 CD GLN A 831 2.693 2.147 -12.675 1.00 0.00 C ATOM 1154 OE1 GLN A 831 1.929 1.201 -12.856 1.00 0.00 O ATOM 1155 NE2 GLN A 831 3.627 2.480 -13.549 1.00 0.00 N ATOM 0 H GLN A 831 0.044 1.654 -8.713 1.00 0.00 H new ATOM 0 HA GLN A 831 2.179 0.499 -10.122 1.00 0.00 H new ATOM 0 HB2 GLN A 831 0.662 2.189 -11.053 1.00 0.00 H new ATOM 0 HB3 GLN A 831 1.188 3.368 -9.868 1.00 0.00 H new ATOM 0 HG2 GLN A 831 2.434 4.027 -11.689 1.00 0.00 H new ATOM 0 HG3 GLN A 831 3.574 2.954 -10.901 1.00 0.00 H new ATOM 0 HE21 GLN A 831 4.242 3.272 -13.362 1.00 0.00 H new ATOM 0 HE22 GLN A 831 3.733 1.945 -14.411 1.00 0.00 H new ATOM 1164 N ALA A 832 3.056 2.697 -7.819 1.00 0.00 N ATOM 1165 CA ALA A 832 4.185 3.229 -7.070 1.00 0.00 C ATOM 1166 C ALA A 832 4.896 2.141 -6.272 1.00 0.00 C ATOM 1167 O ALA A 832 6.115 2.005 -6.354 1.00 0.00 O ATOM 1168 CB ALA A 832 3.724 4.346 -6.148 1.00 0.00 C ATOM 0 H ALA A 832 2.151 3.080 -7.544 1.00 0.00 H new ATOM 0 HA ALA A 832 4.900 3.630 -7.788 1.00 0.00 H new ATOM 0 HB1 ALA A 832 4.578 4.736 -5.593 1.00 0.00 H new ATOM 0 HB2 ALA A 832 3.280 5.146 -6.740 1.00 0.00 H new ATOM 0 HB3 ALA A 832 2.983 3.958 -5.449 1.00 0.00 H new ATOM 1174 N THR A 833 4.135 1.357 -5.516 1.00 0.00 N ATOM 1175 CA THR A 833 4.717 0.313 -4.685 1.00 0.00 C ATOM 1176 C THR A 833 5.357 -0.792 -5.525 1.00 0.00 C ATOM 1177 O THR A 833 6.384 -1.351 -5.139 1.00 0.00 O ATOM 1178 CB THR A 833 3.677 -0.301 -3.735 1.00 0.00 C ATOM 1179 OG1 THR A 833 2.921 0.739 -3.104 1.00 0.00 O ATOM 1180 CG2 THR A 833 4.356 -1.152 -2.675 1.00 0.00 C ATOM 0 H THR A 833 3.119 1.425 -5.462 1.00 0.00 H new ATOM 0 HA THR A 833 5.495 0.792 -4.091 1.00 0.00 H new ATOM 0 HB THR A 833 3.009 -0.935 -4.318 1.00 0.00 H new ATOM 0 HG1 THR A 833 2.237 1.068 -3.724 1.00 0.00 H new ATOM 0 HG21 THR A 833 3.602 -1.578 -2.012 1.00 0.00 H new ATOM 0 HG22 THR A 833 4.913 -1.956 -3.156 1.00 0.00 H new ATOM 0 HG23 THR A 833 5.041 -0.533 -2.095 1.00 0.00 H new ATOM 1188 N SER A 834 4.760 -1.103 -6.673 1.00 0.00 N ATOM 1189 CA SER A 834 5.323 -2.113 -7.565 1.00 0.00 C ATOM 1190 C SER A 834 6.724 -1.700 -8.001 1.00 0.00 C ATOM 1191 O SER A 834 7.650 -2.515 -8.025 1.00 0.00 O ATOM 1192 CB SER A 834 4.428 -2.319 -8.790 1.00 0.00 C ATOM 1193 OG SER A 834 3.144 -2.785 -8.408 1.00 0.00 O ATOM 0 H SER A 834 3.896 -0.675 -7.005 1.00 0.00 H new ATOM 0 HA SER A 834 5.381 -3.057 -7.023 1.00 0.00 H new ATOM 0 HB2 SER A 834 4.331 -1.381 -9.336 1.00 0.00 H new ATOM 0 HB3 SER A 834 4.892 -3.035 -9.468 1.00 0.00 H new ATOM 0 HG SER A 834 2.559 -2.020 -8.227 1.00 0.00 H new ATOM 1199 N ASP A 835 6.876 -0.420 -8.313 1.00 0.00 N ATOM 1200 CA ASP A 835 8.169 0.127 -8.698 1.00 0.00 C ATOM 1201 C ASP A 835 9.088 0.209 -7.487 1.00 0.00 C ATOM 1202 O ASP A 835 10.264 -0.132 -7.567 1.00 0.00 O ATOM 1203 CB ASP A 835 8.002 1.514 -9.315 1.00 0.00 C ATOM 1204 CG ASP A 835 9.273 2.004 -9.977 1.00 0.00 C ATOM 1205 OD1 ASP A 835 9.576 1.544 -11.099 1.00 0.00 O ATOM 1206 OD2 ASP A 835 9.967 2.859 -9.388 1.00 0.00 O ATOM 0 H ASP A 835 6.116 0.261 -8.307 1.00 0.00 H new ATOM 0 HA ASP A 835 8.614 -0.536 -9.440 1.00 0.00 H new ATOM 0 HB2 ASP A 835 7.198 1.488 -10.051 1.00 0.00 H new ATOM 0 HB3 ASP A 835 7.702 2.220 -8.541 1.00 0.00 H new ATOM 1211 N LEU A 836 8.527 0.654 -6.365 1.00 0.00 N ATOM 1212 CA LEU A 836 9.271 0.780 -5.118 1.00 0.00 C ATOM 1213 C LEU A 836 9.915 -0.547 -4.725 1.00 0.00 C ATOM 1214 O LEU A 836 11.121 -0.611 -4.492 1.00 0.00 O ATOM 1215 CB LEU A 836 8.328 1.258 -4.004 1.00 0.00 C ATOM 1216 CG LEU A 836 8.919 1.296 -2.593 1.00 0.00 C ATOM 1217 CD1 LEU A 836 10.085 2.270 -2.529 1.00 0.00 C ATOM 1218 CD2 LEU A 836 7.849 1.685 -1.585 1.00 0.00 C ATOM 0 H LEU A 836 7.549 0.936 -6.296 1.00 0.00 H new ATOM 0 HA LEU A 836 10.067 1.510 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 836 7.978 2.259 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 836 7.453 0.608 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 836 9.288 0.301 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 836 10.493 2.284 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 836 10.860 1.956 -3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 836 9.739 3.269 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 836 8.282 1.708 -0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 836 7.456 2.671 -1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.040 0.955 -1.613 1.00 0.00 H new ATOM 1230 N VAL A 837 9.114 -1.606 -4.693 1.00 0.00 N ATOM 1231 CA VAL A 837 9.603 -2.925 -4.309 1.00 0.00 C ATOM 1232 C VAL A 837 10.685 -3.404 -5.275 1.00 0.00 C ATOM 1233 O VAL A 837 11.718 -3.930 -4.855 1.00 0.00 O ATOM 1234 CB VAL A 837 8.452 -3.958 -4.257 1.00 0.00 C ATOM 1235 CG1 VAL A 837 8.986 -5.371 -4.066 1.00 0.00 C ATOM 1236 CG2 VAL A 837 7.477 -3.605 -3.144 1.00 0.00 C ATOM 0 H VAL A 837 8.122 -1.577 -4.929 1.00 0.00 H new ATOM 0 HA VAL A 837 10.032 -2.836 -3.311 1.00 0.00 H new ATOM 0 HB VAL A 837 7.926 -3.925 -5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 837 8.153 -6.073 -4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 837 9.644 -5.627 -4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 837 9.544 -5.426 -3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.672 -4.340 -3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 837 8.000 -3.607 -2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.059 -2.615 -3.327 1.00 0.00 H new ATOM 1246 N ASN A 838 10.457 -3.191 -6.565 1.00 0.00 N ATOM 1247 CA ASN A 838 11.414 -3.603 -7.586 1.00 0.00 C ATOM 1248 C ASN A 838 12.712 -2.813 -7.458 1.00 0.00 C ATOM 1249 O ASN A 838 13.804 -3.351 -7.662 1.00 0.00 O ATOM 1250 CB ASN A 838 10.829 -3.411 -8.985 1.00 0.00 C ATOM 1251 CG ASN A 838 11.523 -4.277 -10.018 1.00 0.00 C ATOM 1252 OD1 ASN A 838 11.519 -5.504 -9.917 1.00 0.00 O ATOM 1253 ND2 ASN A 838 12.128 -3.646 -11.013 1.00 0.00 N ATOM 0 H ASN A 838 9.620 -2.736 -6.929 1.00 0.00 H new ATOM 0 HA ASN A 838 11.628 -4.661 -7.436 1.00 0.00 H new ATOM 0 HB2 ASN A 838 9.766 -3.649 -8.968 1.00 0.00 H new ATOM 0 HB3 ASN A 838 10.916 -2.363 -9.273 1.00 0.00 H new ATOM 0 HD21 ASN A 838 12.615 -4.179 -11.734 1.00 0.00 H new ATOM 0 HD22 ASN A 838 12.107 -2.627 -11.059 1.00 0.00 H new ATOM 1260 N ALA A 839 12.585 -1.540 -7.111 1.00 0.00 N ATOM 1261 CA ALA A 839 13.738 -0.675 -6.913 1.00 0.00 C ATOM 1262 C ALA A 839 14.627 -1.211 -5.799 1.00 0.00 C ATOM 1263 O ALA A 839 15.835 -1.375 -5.985 1.00 0.00 O ATOM 1264 CB ALA A 839 13.286 0.741 -6.597 1.00 0.00 C ATOM 0 H ALA A 839 11.687 -1.081 -6.960 1.00 0.00 H new ATOM 0 HA ALA A 839 14.319 -0.658 -7.835 1.00 0.00 H new ATOM 0 HB1 ALA A 839 14.159 1.378 -6.451 1.00 0.00 H new ATOM 0 HB2 ALA A 839 12.690 1.126 -7.425 1.00 0.00 H new ATOM 0 HB3 ALA A 839 12.684 0.737 -5.688 1.00 0.00 H new ATOM 1270 N ILE A 840 14.019 -1.502 -4.654 1.00 0.00 N ATOM 1271 CA ILE A 840 14.748 -2.057 -3.518 1.00 0.00 C ATOM 1272 C ILE A 840 15.319 -3.425 -3.869 1.00 0.00 C ATOM 1273 O ILE A 840 16.416 -3.776 -3.442 1.00 0.00 O ATOM 1274 CB ILE A 840 13.850 -2.186 -2.268 1.00 0.00 C ATOM 1275 CG1 ILE A 840 13.117 -0.874 -2.002 1.00 0.00 C ATOM 1276 CG2 ILE A 840 14.676 -2.584 -1.051 1.00 0.00 C ATOM 1277 CD1 ILE A 840 11.691 -1.065 -1.545 1.00 0.00 C ATOM 0 H ILE A 840 13.022 -1.363 -4.487 1.00 0.00 H new ATOM 0 HA ILE A 840 15.559 -1.366 -3.289 1.00 0.00 H new ATOM 0 HB ILE A 840 13.113 -2.967 -2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 840 13.661 -0.310 -1.244 1.00 0.00 H new ATOM 0 HG13 ILE A 840 13.122 -0.273 -2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 840 14.025 -2.669 -0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 840 15.160 -3.543 -1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 840 15.435 -1.825 -0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 840 11.230 -0.092 -1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 840 11.132 -1.602 -2.311 1.00 0.00 H new ATOM 0 HD13 ILE A 840 11.680 -1.639 -0.619 1.00 0.00 H new ATOM 1289 N LYS A 841 14.570 -4.187 -4.660 1.00 0.00 N ATOM 1290 CA LYS A 841 15.009 -5.504 -5.110 1.00 0.00 C ATOM 1291 C LYS A 841 16.363 -5.416 -5.811 1.00 0.00 C ATOM 1292 O LYS A 841 17.282 -6.175 -5.508 1.00 0.00 O ATOM 1293 CB LYS A 841 13.970 -6.109 -6.058 1.00 0.00 C ATOM 1294 CG LYS A 841 13.711 -7.589 -5.825 1.00 0.00 C ATOM 1295 CD LYS A 841 14.018 -8.418 -7.066 1.00 0.00 C ATOM 1296 CE LYS A 841 13.365 -7.840 -8.315 1.00 0.00 C ATOM 1297 NZ LYS A 841 11.952 -8.280 -8.462 1.00 0.00 N ATOM 0 H LYS A 841 13.650 -3.913 -5.005 1.00 0.00 H new ATOM 0 HA LYS A 841 15.114 -6.146 -4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 841 13.032 -5.564 -5.949 1.00 0.00 H new ATOM 0 HB3 LYS A 841 14.304 -5.966 -7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 841 14.323 -7.939 -4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 841 12.670 -7.735 -5.538 1.00 0.00 H new ATOM 0 HD2 LYS A 841 15.097 -8.467 -7.211 1.00 0.00 H new ATOM 0 HD3 LYS A 841 13.670 -9.440 -6.915 1.00 0.00 H new ATOM 0 HE2 LYS A 841 13.403 -6.751 -8.273 1.00 0.00 H new ATOM 0 HE3 LYS A 841 13.932 -8.145 -9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 11.409 -7.543 -8.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 11.919 -9.162 -9.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 11.539 -8.443 -7.521 1.00 0.00 H new ATOM 1311 N ALA A 842 16.480 -4.474 -6.736 1.00 0.00 N ATOM 1312 CA ALA A 842 17.709 -4.297 -7.498 1.00 0.00 C ATOM 1313 C ALA A 842 18.802 -3.648 -6.650 1.00 0.00 C ATOM 1314 O ALA A 842 19.987 -3.941 -6.817 1.00 0.00 O ATOM 1315 CB ALA A 842 17.437 -3.465 -8.742 1.00 0.00 C ATOM 0 H ALA A 842 15.737 -3.819 -6.978 1.00 0.00 H new ATOM 0 HA ALA A 842 18.065 -5.282 -7.799 1.00 0.00 H new ATOM 0 HB1 ALA A 842 18.362 -3.339 -9.305 1.00 0.00 H new ATOM 0 HB2 ALA A 842 16.700 -3.972 -9.365 1.00 0.00 H new ATOM 0 HB3 ALA A 842 17.054 -2.487 -8.449 1.00 0.00 H new ATOM 1321 N ASP A 843 18.399 -2.780 -5.729 1.00 0.00 N ATOM 1322 CA ASP A 843 19.353 -2.043 -4.899 1.00 0.00 C ATOM 1323 C ASP A 843 19.947 -2.943 -3.824 1.00 0.00 C ATOM 1324 O ASP A 843 21.161 -2.975 -3.630 1.00 0.00 O ATOM 1325 CB ASP A 843 18.684 -0.828 -4.252 1.00 0.00 C ATOM 1326 CG ASP A 843 18.891 0.446 -5.050 1.00 0.00 C ATOM 1327 OD1 ASP A 843 19.448 0.372 -6.167 1.00 0.00 O ATOM 1328 OD2 ASP A 843 18.482 1.526 -4.579 1.00 0.00 O ATOM 0 H ASP A 843 17.420 -2.567 -5.536 1.00 0.00 H new ATOM 0 HA ASP A 843 20.158 -1.696 -5.546 1.00 0.00 H new ATOM 0 HB2 ASP A 843 17.616 -1.018 -4.149 1.00 0.00 H new ATOM 0 HB3 ASP A 843 19.082 -0.691 -3.247 1.00 0.00 H new ATOM 1333 N ALA A 844 19.085 -3.698 -3.147 1.00 0.00 N ATOM 1334 CA ALA A 844 19.524 -4.615 -2.096 1.00 0.00 C ATOM 1335 C ALA A 844 20.383 -5.733 -2.674 1.00 0.00 C ATOM 1336 O ALA A 844 21.124 -6.401 -1.952 1.00 0.00 O ATOM 1337 CB ALA A 844 18.322 -5.195 -1.361 1.00 0.00 C ATOM 0 H ALA A 844 18.078 -3.693 -3.307 1.00 0.00 H new ATOM 0 HA ALA A 844 20.130 -4.053 -1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 844 18.666 -5.876 -0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 844 17.747 -4.387 -0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 844 17.692 -5.738 -2.065 1.00 0.00 H new ATOM 1343 N GLU A 845 20.281 -5.929 -3.983 1.00 0.00 N ATOM 1344 CA GLU A 845 21.116 -6.895 -4.680 1.00 0.00 C ATOM 1345 C GLU A 845 22.562 -6.407 -4.732 1.00 0.00 C ATOM 1346 O GLU A 845 23.487 -7.186 -4.963 1.00 0.00 O ATOM 1347 CB GLU A 845 20.589 -7.123 -6.097 1.00 0.00 C ATOM 1348 CG GLU A 845 20.899 -8.504 -6.650 1.00 0.00 C ATOM 1349 CD GLU A 845 20.624 -9.607 -5.652 1.00 0.00 C ATOM 1350 OE1 GLU A 845 19.446 -9.814 -5.298 1.00 0.00 O ATOM 1351 OE2 GLU A 845 21.587 -10.275 -5.215 1.00 0.00 O ATOM 0 H GLU A 845 19.625 -5.429 -4.584 1.00 0.00 H new ATOM 0 HA GLU A 845 21.084 -7.839 -4.135 1.00 0.00 H new ATOM 0 HB2 GLU A 845 19.509 -6.974 -6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 845 21.018 -6.371 -6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 845 20.303 -8.674 -7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 845 21.946 -8.544 -6.951 1.00 0.00 H new ATOM 1358 N GLY A 846 22.750 -5.112 -4.513 1.00 0.00 N ATOM 1359 CA GLY A 846 24.079 -4.541 -4.534 1.00 0.00 C ATOM 1360 C GLY A 846 24.614 -4.277 -3.144 1.00 0.00 C ATOM 1361 O GLY A 846 25.706 -3.726 -2.990 1.00 0.00 O ATOM 0 H GLY A 846 22.002 -4.446 -4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 846 24.754 -5.218 -5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 846 24.062 -3.608 -5.097 1.00 0.00 H new ATOM 1365 N GLU A 847 23.851 -4.663 -2.130 1.00 0.00 N ATOM 1366 CA GLU A 847 24.274 -4.484 -0.748 1.00 0.00 C ATOM 1367 C GLU A 847 25.388 -5.467 -0.409 1.00 0.00 C ATOM 1368 O GLU A 847 25.386 -6.604 -0.882 1.00 0.00 O ATOM 1369 CB GLU A 847 23.090 -4.665 0.205 1.00 0.00 C ATOM 1370 CG GLU A 847 22.945 -3.535 1.213 1.00 0.00 C ATOM 1371 CD GLU A 847 24.236 -3.258 1.957 1.00 0.00 C ATOM 1372 OE1 GLU A 847 24.616 -4.078 2.818 1.00 0.00 O ATOM 1373 OE2 GLU A 847 24.886 -2.234 1.672 1.00 0.00 O ATOM 0 H GLU A 847 22.937 -5.102 -2.239 1.00 0.00 H new ATOM 0 HA GLU A 847 24.655 -3.470 -0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 847 22.172 -4.741 -0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 847 23.206 -5.607 0.741 1.00 0.00 H new ATOM 0 HG2 GLU A 847 22.624 -2.630 0.697 1.00 0.00 H new ATOM 0 HG3 GLU A 847 22.163 -3.788 1.929 1.00 0.00 H new ATOM 1380 N SER A 848 26.330 -5.027 0.410 1.00 0.00 N ATOM 1381 CA SER A 848 27.505 -5.821 0.727 1.00 0.00 C ATOM 1382 C SER A 848 27.160 -6.990 1.649 1.00 0.00 C ATOM 1383 O SER A 848 27.766 -8.059 1.558 1.00 0.00 O ATOM 1384 CB SER A 848 28.567 -4.933 1.371 1.00 0.00 C ATOM 1385 OG SER A 848 28.201 -3.561 1.281 1.00 0.00 O ATOM 0 H SER A 848 26.302 -4.117 0.870 1.00 0.00 H new ATOM 0 HA SER A 848 27.895 -6.239 -0.201 1.00 0.00 H new ATOM 0 HB2 SER A 848 28.695 -5.212 2.417 1.00 0.00 H new ATOM 0 HB3 SER A 848 29.527 -5.091 0.879 1.00 0.00 H new ATOM 0 HG SER A 848 28.894 -3.009 1.701 1.00 0.00 H new ATOM 1391 N ASP A 849 26.187 -6.789 2.530 1.00 0.00 N ATOM 1392 CA ASP A 849 25.769 -7.845 3.442 1.00 0.00 C ATOM 1393 C ASP A 849 24.362 -8.315 3.094 1.00 0.00 C ATOM 1394 O ASP A 849 23.498 -7.517 2.725 1.00 0.00 O ATOM 1395 CB ASP A 849 25.835 -7.372 4.896 1.00 0.00 C ATOM 1396 CG ASP A 849 25.799 -8.523 5.885 1.00 0.00 C ATOM 1397 OD1 ASP A 849 25.978 -9.685 5.467 1.00 0.00 O ATOM 1398 OD2 ASP A 849 25.600 -8.272 7.090 1.00 0.00 O ATOM 0 H ASP A 849 25.677 -5.912 2.632 1.00 0.00 H new ATOM 0 HA ASP A 849 26.455 -8.684 3.331 1.00 0.00 H new ATOM 0 HB2 ASP A 849 26.749 -6.797 5.046 1.00 0.00 H new ATOM 0 HB3 ASP A 849 24.999 -6.701 5.094 1.00 0.00 H new ATOM 1403 N LEU A 850 24.135 -9.611 3.206 1.00 0.00 N ATOM 1404 CA LEU A 850 22.874 -10.197 2.780 1.00 0.00 C ATOM 1405 C LEU A 850 21.845 -10.203 3.905 1.00 0.00 C ATOM 1406 O LEU A 850 20.644 -10.280 3.650 1.00 0.00 O ATOM 1407 CB LEU A 850 23.097 -11.618 2.270 1.00 0.00 C ATOM 1408 CG LEU A 850 22.870 -11.823 0.770 1.00 0.00 C ATOM 1409 CD1 LEU A 850 21.383 -11.910 0.466 1.00 0.00 C ATOM 1410 CD2 LEU A 850 23.515 -10.703 -0.035 1.00 0.00 C ATOM 0 H LEU A 850 24.805 -10.278 3.588 1.00 0.00 H new ATOM 0 HA LEU A 850 22.482 -9.580 1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 850 24.118 -11.915 2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 850 22.434 -12.289 2.815 1.00 0.00 H new ATOM 0 HG LEU A 850 23.340 -12.763 0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 850 21.238 -12.056 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 850 20.949 -12.750 1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 850 20.894 -10.987 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 850 23.340 -10.871 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 850 23.080 -9.747 0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 850 24.588 -10.687 0.158 1.00 0.00 H new ATOM 1422 N GLU A 851 22.307 -10.120 5.145 1.00 0.00 N ATOM 1423 CA GLU A 851 21.407 -10.158 6.289 1.00 0.00 C ATOM 1424 C GLU A 851 20.459 -8.963 6.277 1.00 0.00 C ATOM 1425 O GLU A 851 19.246 -9.131 6.365 1.00 0.00 O ATOM 1426 CB GLU A 851 22.196 -10.191 7.597 1.00 0.00 C ATOM 1427 CG GLU A 851 21.894 -11.410 8.454 1.00 0.00 C ATOM 1428 CD GLU A 851 20.794 -11.156 9.466 1.00 0.00 C ATOM 1429 OE1 GLU A 851 20.944 -10.238 10.298 1.00 0.00 O ATOM 1430 OE2 GLU A 851 19.772 -11.876 9.440 1.00 0.00 O ATOM 0 H GLU A 851 23.294 -10.026 5.384 1.00 0.00 H new ATOM 0 HA GLU A 851 20.814 -11.069 6.217 1.00 0.00 H new ATOM 0 HB2 GLU A 851 23.262 -10.171 7.370 1.00 0.00 H new ATOM 0 HB3 GLU A 851 21.975 -9.290 8.169 1.00 0.00 H new ATOM 0 HG2 GLU A 851 21.604 -12.240 7.809 1.00 0.00 H new ATOM 0 HG3 GLU A 851 22.800 -11.715 8.977 1.00 0.00 H new ATOM 1437 N ASN A 852 21.011 -7.766 6.113 1.00 0.00 N ATOM 1438 CA ASN A 852 20.205 -6.547 6.104 1.00 0.00 C ATOM 1439 C ASN A 852 19.423 -6.428 4.806 1.00 0.00 C ATOM 1440 O ASN A 852 18.300 -5.919 4.801 1.00 0.00 O ATOM 1441 CB ASN A 852 21.075 -5.295 6.300 1.00 0.00 C ATOM 1442 CG ASN A 852 22.306 -5.283 5.415 1.00 0.00 C ATOM 1443 OD1 ASN A 852 23.173 -6.141 5.541 1.00 0.00 O ATOM 1444 ND2 ASN A 852 22.397 -4.309 4.524 1.00 0.00 N ATOM 0 H ASN A 852 22.011 -7.612 5.985 1.00 0.00 H new ATOM 0 HA ASN A 852 19.507 -6.615 6.938 1.00 0.00 H new ATOM 0 HB2 ASN A 852 20.477 -4.408 6.092 1.00 0.00 H new ATOM 0 HB3 ASN A 852 21.384 -5.234 7.343 1.00 0.00 H new ATOM 0 HD21 ASN A 852 23.210 -4.253 3.911 1.00 0.00 H new ATOM 0 HD22 ASN A 852 21.654 -3.614 4.450 1.00 0.00 H new ATOM 1451 N SER A 853 20.007 -6.906 3.714 1.00 0.00 N ATOM 1452 CA SER A 853 19.349 -6.845 2.420 1.00 0.00 C ATOM 1453 C SER A 853 18.123 -7.755 2.404 1.00 0.00 C ATOM 1454 O SER A 853 17.084 -7.399 1.856 1.00 0.00 O ATOM 1455 CB SER A 853 20.327 -7.218 1.300 1.00 0.00 C ATOM 1456 OG SER A 853 20.654 -8.594 1.324 1.00 0.00 O ATOM 0 H SER A 853 20.931 -7.338 3.701 1.00 0.00 H new ATOM 0 HA SER A 853 19.015 -5.822 2.246 1.00 0.00 H new ATOM 0 HB2 SER A 853 19.888 -6.966 0.335 1.00 0.00 H new ATOM 0 HB3 SER A 853 21.237 -6.626 1.400 1.00 0.00 H new ATOM 0 HG SER A 853 20.512 -8.948 2.227 1.00 0.00 H new ATOM 1462 N ARG A 854 18.239 -8.918 3.036 1.00 0.00 N ATOM 1463 CA ARG A 854 17.125 -9.851 3.131 1.00 0.00 C ATOM 1464 C ARG A 854 15.955 -9.211 3.870 1.00 0.00 C ATOM 1465 O ARG A 854 14.815 -9.278 3.416 1.00 0.00 O ATOM 1466 CB ARG A 854 17.555 -11.134 3.835 1.00 0.00 C ATOM 1467 CG ARG A 854 17.985 -12.232 2.878 1.00 0.00 C ATOM 1468 CD ARG A 854 18.832 -13.284 3.577 1.00 0.00 C ATOM 1469 NE ARG A 854 18.097 -13.945 4.656 1.00 0.00 N ATOM 1470 CZ ARG A 854 18.592 -14.168 5.873 1.00 0.00 C ATOM 1471 NH1 ARG A 854 19.845 -13.838 6.166 1.00 0.00 N ATOM 1472 NH2 ARG A 854 17.837 -14.738 6.799 1.00 0.00 N ATOM 0 H ARG A 854 19.095 -9.236 3.490 1.00 0.00 H new ATOM 0 HA ARG A 854 16.804 -10.103 2.120 1.00 0.00 H new ATOM 0 HB2 ARG A 854 18.379 -10.909 4.512 1.00 0.00 H new ATOM 0 HB3 ARG A 854 16.730 -11.498 4.447 1.00 0.00 H new ATOM 0 HG2 ARG A 854 17.103 -12.703 2.444 1.00 0.00 H new ATOM 0 HG3 ARG A 854 18.551 -11.797 2.055 1.00 0.00 H new ATOM 0 HD2 ARG A 854 19.159 -14.028 2.851 1.00 0.00 H new ATOM 0 HD3 ARG A 854 19.730 -12.817 3.982 1.00 0.00 H new ATOM 0 HE ARG A 854 17.144 -14.255 4.464 1.00 0.00 H new ATOM 0 HH11 ARG A 854 20.439 -13.409 5.456 1.00 0.00 H new ATOM 0 HH12 ARG A 854 20.213 -14.013 7.101 1.00 0.00 H new ATOM 0 HH21 ARG A 854 16.877 -15.006 6.581 1.00 0.00 H new ATOM 0 HH22 ARG A 854 18.215 -14.909 7.731 1.00 0.00 H new ATOM 1486 N LYS A 855 16.255 -8.567 5.000 1.00 0.00 N ATOM 1487 CA LYS A 855 15.242 -7.848 5.780 1.00 0.00 C ATOM 1488 C LYS A 855 14.556 -6.805 4.916 1.00 0.00 C ATOM 1489 O LYS A 855 13.343 -6.609 4.981 1.00 0.00 O ATOM 1490 CB LYS A 855 15.882 -7.140 6.972 1.00 0.00 C ATOM 1491 CG LYS A 855 16.931 -7.961 7.700 1.00 0.00 C ATOM 1492 CD LYS A 855 16.310 -9.069 8.533 1.00 0.00 C ATOM 1493 CE LYS A 855 17.204 -9.445 9.702 1.00 0.00 C ATOM 1494 NZ LYS A 855 17.290 -10.917 9.894 1.00 0.00 N ATOM 0 H LYS A 855 17.194 -8.528 5.397 1.00 0.00 H new ATOM 0 HA LYS A 855 14.514 -8.578 6.134 1.00 0.00 H new ATOM 0 HB2 LYS A 855 16.339 -6.213 6.626 1.00 0.00 H new ATOM 0 HB3 LYS A 855 15.099 -6.864 7.679 1.00 0.00 H new ATOM 0 HG2 LYS A 855 17.619 -8.395 6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 855 17.518 -7.308 8.346 1.00 0.00 H new ATOM 0 HD2 LYS A 855 15.337 -8.746 8.905 1.00 0.00 H new ATOM 0 HD3 LYS A 855 16.138 -9.945 7.907 1.00 0.00 H new ATOM 0 HE2 LYS A 855 18.204 -9.043 9.536 1.00 0.00 H new ATOM 0 HE3 LYS A 855 16.822 -8.983 10.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 855 17.290 -11.135 10.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 855 16.473 -11.374 9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 855 18.168 -11.273 9.464 1.00 0.00 H new ATOM 1508 N LEU A 856 15.366 -6.143 4.110 1.00 0.00 N ATOM 1509 CA LEU A 856 14.910 -5.084 3.228 1.00 0.00 C ATOM 1510 C LEU A 856 13.806 -5.568 2.310 1.00 0.00 C ATOM 1511 O LEU A 856 12.746 -4.951 2.202 1.00 0.00 O ATOM 1512 CB LEU A 856 16.094 -4.619 2.393 1.00 0.00 C ATOM 1513 CG LEU A 856 16.798 -3.381 2.935 1.00 0.00 C ATOM 1514 CD1 LEU A 856 18.183 -3.235 2.322 1.00 0.00 C ATOM 1515 CD2 LEU A 856 15.965 -2.135 2.679 1.00 0.00 C ATOM 0 H LEU A 856 16.367 -6.327 4.049 1.00 0.00 H new ATOM 0 HA LEU A 856 14.510 -4.267 3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 856 16.816 -5.432 2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 856 15.750 -4.412 1.380 1.00 0.00 H new ATOM 0 HG LEU A 856 16.914 -3.501 4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 856 18.667 -2.345 2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 856 18.782 -4.113 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 856 18.094 -3.143 1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 856 16.485 -1.262 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 856 15.813 -2.013 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 856 14.999 -2.236 3.173 1.00 0.00 H new ATOM 1527 N LEU A 857 14.059 -6.694 1.677 1.00 0.00 N ATOM 1528 CA LEU A 857 13.127 -7.265 0.733 1.00 0.00 C ATOM 1529 C LEU A 857 11.955 -7.926 1.449 1.00 0.00 C ATOM 1530 O LEU A 857 10.875 -8.075 0.883 1.00 0.00 O ATOM 1531 CB LEU A 857 13.870 -8.240 -0.165 1.00 0.00 C ATOM 1532 CG LEU A 857 15.189 -7.684 -0.705 1.00 0.00 C ATOM 1533 CD1 LEU A 857 16.251 -8.774 -0.745 1.00 0.00 C ATOM 1534 CD2 LEU A 857 14.980 -7.093 -2.088 1.00 0.00 C ATOM 0 H LEU A 857 14.914 -7.236 1.803 1.00 0.00 H new ATOM 0 HA LEU A 857 12.702 -6.475 0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 857 14.071 -9.155 0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 857 13.228 -8.512 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 857 15.535 -6.895 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 857 17.182 -8.360 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 857 16.415 -9.159 0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 857 15.917 -9.584 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 857 15.925 -6.700 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 857 14.616 -7.867 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 857 14.249 -6.287 -2.032 1.00 0.00 H new ATOM 1546 N SER A 858 12.163 -8.298 2.707 1.00 0.00 N ATOM 1547 CA SER A 858 11.077 -8.813 3.530 1.00 0.00 C ATOM 1548 C SER A 858 10.068 -7.703 3.806 1.00 0.00 C ATOM 1549 O SER A 858 8.861 -7.941 3.847 1.00 0.00 O ATOM 1550 CB SER A 858 11.615 -9.380 4.843 1.00 0.00 C ATOM 1551 OG SER A 858 12.700 -10.262 4.609 1.00 0.00 O ATOM 0 H SER A 858 13.068 -8.253 3.176 1.00 0.00 H new ATOM 0 HA SER A 858 10.582 -9.620 2.990 1.00 0.00 H new ATOM 0 HB2 SER A 858 11.938 -8.564 5.490 1.00 0.00 H new ATOM 0 HB3 SER A 858 10.819 -9.908 5.368 1.00 0.00 H new ATOM 0 HG SER A 858 13.515 -9.742 4.447 1.00 0.00 H new ATOM 1557 N ALA A 859 10.576 -6.486 3.980 1.00 0.00 N ATOM 1558 CA ALA A 859 9.724 -5.319 4.152 1.00 0.00 C ATOM 1559 C ALA A 859 9.056 -4.957 2.833 1.00 0.00 C ATOM 1560 O ALA A 859 7.888 -4.577 2.800 1.00 0.00 O ATOM 1561 CB ALA A 859 10.530 -4.143 4.679 1.00 0.00 C ATOM 0 H ALA A 859 11.576 -6.285 4.005 1.00 0.00 H new ATOM 0 HA ALA A 859 8.950 -5.559 4.881 1.00 0.00 H new ATOM 0 HB1 ALA A 859 9.876 -3.279 4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 859 10.969 -4.405 5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 859 11.324 -3.900 3.972 1.00 0.00 H new ATOM 1567 N ALA A 860 9.807 -5.092 1.744 1.00 0.00 N ATOM 1568 CA ALA A 860 9.274 -4.851 0.409 1.00 0.00 C ATOM 1569 C ALA A 860 8.147 -5.832 0.098 1.00 0.00 C ATOM 1570 O ALA A 860 7.182 -5.495 -0.587 1.00 0.00 O ATOM 1571 CB ALA A 860 10.381 -4.960 -0.629 1.00 0.00 C ATOM 0 H ALA A 860 10.789 -5.368 1.761 1.00 0.00 H new ATOM 0 HA ALA A 860 8.866 -3.841 0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 860 9.969 -4.778 -1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 860 11.154 -4.221 -0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 860 10.815 -5.959 -0.594 1.00 0.00 H new ATOM 1577 N LYS A 861 8.270 -7.046 0.620 1.00 0.00 N ATOM 1578 CA LYS A 861 7.231 -8.050 0.470 1.00 0.00 C ATOM 1579 C LYS A 861 5.953 -7.601 1.171 1.00 0.00 C ATOM 1580 O LYS A 861 4.851 -7.803 0.657 1.00 0.00 O ATOM 1581 CB LYS A 861 7.699 -9.392 1.030 1.00 0.00 C ATOM 1582 CG LYS A 861 7.874 -10.463 -0.032 1.00 0.00 C ATOM 1583 CD LYS A 861 9.211 -10.333 -0.741 1.00 0.00 C ATOM 1584 CE LYS A 861 9.617 -11.635 -1.411 1.00 0.00 C ATOM 1585 NZ LYS A 861 9.481 -11.565 -2.888 1.00 0.00 N ATOM 0 H LYS A 861 9.083 -7.357 1.152 1.00 0.00 H new ATOM 0 HA LYS A 861 7.021 -8.172 -0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 861 8.646 -9.249 1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 861 6.978 -9.739 1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 861 7.800 -11.448 0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 861 7.066 -10.390 -0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 861 9.152 -9.542 -1.488 1.00 0.00 H new ATOM 0 HD3 LYS A 861 9.977 -10.038 -0.024 1.00 0.00 H new ATOM 0 HE2 LYS A 861 10.650 -11.869 -1.152 1.00 0.00 H new ATOM 0 HE3 LYS A 861 9.000 -12.448 -1.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 9.768 -12.473 -3.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 8.491 -11.367 -3.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 10.089 -10.806 -3.257 1.00 0.00 H new ATOM 1599 N ILE A 862 6.106 -6.984 2.342 1.00 0.00 N ATOM 1600 CA ILE A 862 4.968 -6.420 3.062 1.00 0.00 C ATOM 1601 C ILE A 862 4.390 -5.245 2.284 1.00 0.00 C ATOM 1602 O ILE A 862 3.175 -5.083 2.202 1.00 0.00 O ATOM 1603 CB ILE A 862 5.346 -5.939 4.481 1.00 0.00 C ATOM 1604 CG1 ILE A 862 6.218 -6.972 5.194 1.00 0.00 C ATOM 1605 CG2 ILE A 862 4.092 -5.657 5.296 1.00 0.00 C ATOM 1606 CD1 ILE A 862 7.024 -6.397 6.339 1.00 0.00 C ATOM 0 H ILE A 862 7.004 -6.863 2.810 1.00 0.00 H new ATOM 0 HA ILE A 862 4.231 -7.217 3.160 1.00 0.00 H new ATOM 0 HB ILE A 862 5.919 -5.017 4.385 1.00 0.00 H new ATOM 0 HG12 ILE A 862 5.582 -7.772 5.574 1.00 0.00 H new ATOM 0 HG13 ILE A 862 6.899 -7.422 4.471 1.00 0.00 H new ATOM 0 HG21 ILE A 862 4.374 -5.319 6.293 1.00 0.00 H new ATOM 0 HG22 ILE A 862 3.504 -4.882 4.803 1.00 0.00 H new ATOM 0 HG23 ILE A 862 3.498 -6.567 5.376 1.00 0.00 H new ATOM 0 HD11 ILE A 862 7.619 -7.187 6.798 1.00 0.00 H new ATOM 0 HD12 ILE A 862 7.686 -5.617 5.962 1.00 0.00 H new ATOM 0 HD13 ILE A 862 6.349 -5.973 7.082 1.00 0.00 H new ATOM 1618 N LEU A 863 5.278 -4.432 1.715 1.00 0.00 N ATOM 1619 CA LEU A 863 4.875 -3.308 0.876 1.00 0.00 C ATOM 1620 C LEU A 863 3.926 -3.782 -0.220 1.00 0.00 C ATOM 1621 O LEU A 863 2.821 -3.259 -0.368 1.00 0.00 O ATOM 1622 CB LEU A 863 6.107 -2.647 0.240 1.00 0.00 C ATOM 1623 CG LEU A 863 6.482 -1.261 0.779 1.00 0.00 C ATOM 1624 CD1 LEU A 863 5.243 -0.397 0.964 1.00 0.00 C ATOM 1625 CD2 LEU A 863 7.247 -1.390 2.087 1.00 0.00 C ATOM 0 H LEU A 863 6.287 -4.533 1.822 1.00 0.00 H new ATOM 0 HA LEU A 863 4.363 -2.577 1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 863 6.961 -3.311 0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 863 5.936 -2.563 -0.833 1.00 0.00 H new ATOM 0 HG LEU A 863 7.127 -0.773 0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 863 5.535 0.581 1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 863 4.738 -0.275 0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 863 4.567 -0.877 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 863 7.506 -0.398 2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 863 6.626 -1.901 2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.158 -1.964 1.920 1.00 0.00 H new ATOM 1637 N ALA A 864 4.359 -4.792 -0.966 1.00 0.00 N ATOM 1638 CA ALA A 864 3.563 -5.343 -2.054 1.00 0.00 C ATOM 1639 C ALA A 864 2.283 -5.991 -1.533 1.00 0.00 C ATOM 1640 O ALA A 864 1.200 -5.753 -2.068 1.00 0.00 O ATOM 1641 CB ALA A 864 4.383 -6.351 -2.845 1.00 0.00 C ATOM 0 H ALA A 864 5.262 -5.247 -0.835 1.00 0.00 H new ATOM 0 HA ALA A 864 3.277 -4.522 -2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 864 3.778 -6.756 -3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 864 5.263 -5.859 -3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 864 4.697 -7.161 -2.187 1.00 0.00 H new ATOM 1647 N ASP A 865 2.413 -6.792 -0.478 1.00 0.00 N ATOM 1648 CA ASP A 865 1.274 -7.506 0.104 1.00 0.00 C ATOM 1649 C ASP A 865 0.194 -6.537 0.569 1.00 0.00 C ATOM 1650 O ASP A 865 -0.988 -6.703 0.248 1.00 0.00 O ATOM 1651 CB ASP A 865 1.729 -8.369 1.285 1.00 0.00 C ATOM 1652 CG ASP A 865 0.576 -9.081 1.968 1.00 0.00 C ATOM 1653 OD1 ASP A 865 0.213 -10.191 1.525 1.00 0.00 O ATOM 1654 OD2 ASP A 865 0.032 -8.540 2.954 1.00 0.00 O ATOM 0 H ASP A 865 3.300 -6.965 -0.005 1.00 0.00 H new ATOM 0 HA ASP A 865 0.856 -8.147 -0.672 1.00 0.00 H new ATOM 0 HB2 ASP A 865 2.450 -9.107 0.934 1.00 0.00 H new ATOM 0 HB3 ASP A 865 2.244 -7.741 2.012 1.00 0.00 H new ATOM 1659 N ALA A 866 0.607 -5.519 1.310 1.00 0.00 N ATOM 1660 CA ALA A 866 -0.317 -4.530 1.837 1.00 0.00 C ATOM 1661 C ALA A 866 -0.939 -3.715 0.712 1.00 0.00 C ATOM 1662 O ALA A 866 -2.124 -3.399 0.752 1.00 0.00 O ATOM 1663 CB ALA A 866 0.392 -3.620 2.827 1.00 0.00 C ATOM 0 H ALA A 866 1.583 -5.357 1.560 1.00 0.00 H new ATOM 0 HA ALA A 866 -1.119 -5.054 2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -0.313 -2.884 3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 866 0.784 -4.215 3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 866 1.214 -3.108 2.326 1.00 0.00 H new ATOM 1669 N THR A 867 -0.142 -3.388 -0.298 1.00 0.00 N ATOM 1670 CA THR A 867 -0.638 -2.629 -1.436 1.00 0.00 C ATOM 1671 C THR A 867 -1.661 -3.441 -2.230 1.00 0.00 C ATOM 1672 O THR A 867 -2.661 -2.899 -2.701 1.00 0.00 O ATOM 1673 CB THR A 867 0.511 -2.180 -2.357 1.00 0.00 C ATOM 1674 OG1 THR A 867 1.435 -1.377 -1.614 1.00 0.00 O ATOM 1675 CG2 THR A 867 -0.012 -1.380 -3.542 1.00 0.00 C ATOM 0 H THR A 867 0.846 -3.636 -0.351 1.00 0.00 H new ATOM 0 HA THR A 867 -1.127 -1.738 -1.043 1.00 0.00 H new ATOM 0 HB THR A 867 1.010 -3.072 -2.737 1.00 0.00 H new ATOM 0 HG1 THR A 867 1.787 -1.896 -0.861 1.00 0.00 H new ATOM 0 HG21 THR A 867 0.823 -1.077 -4.174 1.00 0.00 H new ATOM 0 HG22 THR A 867 -0.700 -1.995 -4.121 1.00 0.00 H new ATOM 0 HG23 THR A 867 -0.534 -0.494 -3.181 1.00 0.00 H new ATOM 1683 N ALA A 868 -1.422 -4.743 -2.365 1.00 0.00 N ATOM 1684 CA ALA A 868 -2.378 -5.614 -3.032 1.00 0.00 C ATOM 1685 C ALA A 868 -3.664 -5.691 -2.231 1.00 0.00 C ATOM 1686 O ALA A 868 -4.753 -5.622 -2.788 1.00 0.00 O ATOM 1687 CB ALA A 868 -1.814 -7.008 -3.234 1.00 0.00 C ATOM 0 H ALA A 868 -0.583 -5.212 -2.024 1.00 0.00 H new ATOM 0 HA ALA A 868 -2.586 -5.187 -4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -2.555 -7.631 -3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -0.914 -6.951 -3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -1.567 -7.444 -2.266 1.00 0.00 H new ATOM 1693 N LYS A 869 -3.530 -5.821 -0.917 1.00 0.00 N ATOM 1694 CA LYS A 869 -4.688 -5.860 -0.038 1.00 0.00 C ATOM 1695 C LYS A 869 -5.414 -4.524 -0.071 1.00 0.00 C ATOM 1696 O LYS A 869 -6.634 -4.471 0.038 1.00 0.00 O ATOM 1697 CB LYS A 869 -4.275 -6.204 1.394 1.00 0.00 C ATOM 1698 CG LYS A 869 -5.342 -6.968 2.164 1.00 0.00 C ATOM 1699 CD LYS A 869 -5.659 -8.302 1.505 1.00 0.00 C ATOM 1700 CE LYS A 869 -7.090 -8.348 0.993 1.00 0.00 C ATOM 1701 NZ LYS A 869 -7.441 -9.678 0.430 1.00 0.00 N ATOM 0 H LYS A 869 -2.632 -5.901 -0.439 1.00 0.00 H new ATOM 0 HA LYS A 869 -5.362 -6.639 -0.393 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -3.361 -6.798 1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -4.042 -5.283 1.928 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -5.003 -7.138 3.186 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -6.249 -6.367 2.225 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -4.970 -8.472 0.677 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -5.502 -9.109 2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -7.774 -8.108 1.807 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -7.225 -7.584 0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -7.328 -9.658 -0.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -6.813 -10.402 0.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -8.428 -9.906 0.666 1.00 0.00 H new ATOM 1715 N MET A 870 -4.649 -3.453 -0.226 1.00 0.00 N ATOM 1716 CA MET A 870 -5.208 -2.114 -0.352 1.00 0.00 C ATOM 1717 C MET A 870 -6.004 -1.990 -1.645 1.00 0.00 C ATOM 1718 O MET A 870 -7.156 -1.557 -1.640 1.00 0.00 O ATOM 1719 CB MET A 870 -4.090 -1.070 -0.325 1.00 0.00 C ATOM 1720 CG MET A 870 -4.343 0.062 0.653 1.00 0.00 C ATOM 1721 SD MET A 870 -6.097 0.369 0.921 1.00 0.00 S ATOM 1722 CE MET A 870 -6.377 1.680 -0.260 1.00 0.00 C ATOM 0 H MET A 870 -3.630 -3.486 -0.268 1.00 0.00 H new ATOM 0 HA MET A 870 -5.878 -1.938 0.490 1.00 0.00 H new ATOM 0 HB2 MET A 870 -3.152 -1.561 -0.066 1.00 0.00 H new ATOM 0 HB3 MET A 870 -3.967 -0.655 -1.325 1.00 0.00 H new ATOM 0 HG2 MET A 870 -3.870 -0.174 1.606 1.00 0.00 H new ATOM 0 HG3 MET A 870 -3.872 0.971 0.280 1.00 0.00 H new ATOM 0 HE1 MET A 870 -7.383 1.591 -0.671 1.00 0.00 H new ATOM 0 HE2 MET A 870 -6.272 2.645 0.236 1.00 0.00 H new ATOM 0 HE3 MET A 870 -5.648 1.605 -1.067 1.00 0.00 H new ATOM 1732 N VAL A 871 -5.383 -2.385 -2.748 1.00 0.00 N ATOM 1733 CA VAL A 871 -6.031 -2.355 -4.051 1.00 0.00 C ATOM 1734 C VAL A 871 -7.254 -3.276 -4.058 1.00 0.00 C ATOM 1735 O VAL A 871 -8.302 -2.937 -4.614 1.00 0.00 O ATOM 1736 CB VAL A 871 -5.024 -2.741 -5.172 1.00 0.00 C ATOM 1737 CG1 VAL A 871 -5.431 -4.005 -5.922 1.00 0.00 C ATOM 1738 CG2 VAL A 871 -4.846 -1.583 -6.139 1.00 0.00 C ATOM 0 H VAL A 871 -4.424 -2.732 -2.765 1.00 0.00 H new ATOM 0 HA VAL A 871 -6.374 -1.339 -4.249 1.00 0.00 H new ATOM 0 HB VAL A 871 -4.073 -2.958 -4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -4.691 -4.225 -6.692 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -5.488 -4.840 -5.224 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -6.405 -3.854 -6.387 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -4.139 -1.866 -6.919 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -5.806 -1.336 -6.592 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -4.465 -0.715 -5.601 1.00 0.00 H new ATOM 1748 N GLU A 872 -7.114 -4.420 -3.401 1.00 0.00 N ATOM 1749 CA GLU A 872 -8.190 -5.391 -3.293 1.00 0.00 C ATOM 1750 C GLU A 872 -9.321 -4.848 -2.418 1.00 0.00 C ATOM 1751 O GLU A 872 -10.499 -5.070 -2.699 1.00 0.00 O ATOM 1752 CB GLU A 872 -7.643 -6.703 -2.719 1.00 0.00 C ATOM 1753 CG GLU A 872 -7.834 -7.894 -3.637 1.00 0.00 C ATOM 1754 CD GLU A 872 -6.902 -9.044 -3.311 1.00 0.00 C ATOM 1755 OE1 GLU A 872 -7.064 -9.664 -2.236 1.00 0.00 O ATOM 1756 OE2 GLU A 872 -6.008 -9.343 -4.131 1.00 0.00 O ATOM 0 H GLU A 872 -6.253 -4.699 -2.930 1.00 0.00 H new ATOM 0 HA GLU A 872 -8.597 -5.581 -4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -6.580 -6.583 -2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -8.134 -6.906 -1.767 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -8.866 -8.238 -3.568 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -7.671 -7.582 -4.668 1.00 0.00 H new ATOM 1763 N ALA A 873 -8.955 -4.128 -1.364 1.00 0.00 N ATOM 1764 CA ALA A 873 -9.932 -3.544 -0.452 1.00 0.00 C ATOM 1765 C ALA A 873 -10.678 -2.395 -1.112 1.00 0.00 C ATOM 1766 O ALA A 873 -11.900 -2.300 -1.009 1.00 0.00 O ATOM 1767 CB ALA A 873 -9.253 -3.059 0.818 1.00 0.00 C ATOM 0 H ALA A 873 -7.984 -3.934 -1.119 1.00 0.00 H new ATOM 0 HA ALA A 873 -10.653 -4.320 -0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -9.998 -2.626 1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -8.765 -3.899 1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -8.508 -2.304 0.567 1.00 0.00 H new ATOM 1773 N ALA A 874 -9.937 -1.528 -1.794 1.00 0.00 N ATOM 1774 CA ALA A 874 -10.520 -0.360 -2.441 1.00 0.00 C ATOM 1775 C ALA A 874 -11.584 -0.760 -3.456 1.00 0.00 C ATOM 1776 O ALA A 874 -12.644 -0.145 -3.530 1.00 0.00 O ATOM 1777 CB ALA A 874 -9.437 0.473 -3.107 1.00 0.00 C ATOM 0 H ALA A 874 -8.928 -1.614 -1.913 1.00 0.00 H new ATOM 0 HA ALA A 874 -11.003 0.242 -1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -9.889 1.342 -3.586 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -8.720 0.805 -2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -8.925 -0.129 -3.857 1.00 0.00 H new ATOM 1783 N LYS A 875 -11.299 -1.806 -4.223 1.00 0.00 N ATOM 1784 CA LYS A 875 -12.232 -2.283 -5.237 1.00 0.00 C ATOM 1785 C LYS A 875 -13.362 -3.093 -4.603 1.00 0.00 C ATOM 1786 O LYS A 875 -14.495 -3.080 -5.087 1.00 0.00 O ATOM 1787 CB LYS A 875 -11.493 -3.128 -6.277 1.00 0.00 C ATOM 1788 CG LYS A 875 -10.725 -2.299 -7.295 1.00 0.00 C ATOM 1789 CD LYS A 875 -9.490 -3.031 -7.796 1.00 0.00 C ATOM 1790 CE LYS A 875 -8.743 -2.214 -8.839 1.00 0.00 C ATOM 1791 NZ LYS A 875 -8.168 -3.073 -9.907 1.00 0.00 N ATOM 0 H LYS A 875 -10.431 -2.339 -4.162 1.00 0.00 H new ATOM 0 HA LYS A 875 -12.672 -1.417 -5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -10.799 -3.795 -5.765 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -12.213 -3.757 -6.801 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -11.375 -2.063 -8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -10.429 -1.351 -6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -8.828 -3.245 -6.957 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -9.783 -3.990 -8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -9.421 -1.486 -9.284 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -7.944 -1.651 -8.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -7.667 -2.479 -10.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -7.501 -3.751 -9.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -8.933 -3.591 -10.385 1.00 0.00 H new ATOM 1805 N GLY A 876 -13.051 -3.788 -3.516 1.00 0.00 N ATOM 1806 CA GLY A 876 -14.051 -4.593 -2.835 1.00 0.00 C ATOM 1807 C GLY A 876 -15.049 -3.749 -2.062 1.00 0.00 C ATOM 1808 O GLY A 876 -16.226 -4.101 -1.959 1.00 0.00 O ATOM 0 H GLY A 876 -12.123 -3.810 -3.092 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -14.584 -5.200 -3.567 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -13.555 -5.281 -2.150 1.00 0.00 H new ATOM 1812 N ALA A 877 -14.583 -2.634 -1.518 1.00 0.00 N ATOM 1813 CA ALA A 877 -15.446 -1.740 -0.756 1.00 0.00 C ATOM 1814 C ALA A 877 -16.041 -0.660 -1.648 1.00 0.00 C ATOM 1815 O ALA A 877 -16.777 0.210 -1.181 1.00 0.00 O ATOM 1816 CB ALA A 877 -14.681 -1.118 0.399 1.00 0.00 C ATOM 0 H ALA A 877 -13.613 -2.326 -1.589 1.00 0.00 H new ATOM 0 HA ALA A 877 -16.268 -2.330 -0.350 1.00 0.00 H new ATOM 0 HB1 ALA A 877 -15.341 -0.454 0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 877 -14.316 -1.905 1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 877 -13.836 -0.549 0.011 1.00 0.00 H new ATOM 1822 N ALA A 878 -15.725 -0.720 -2.935 1.00 0.00 N ATOM 1823 CA ALA A 878 -16.298 0.199 -3.909 1.00 0.00 C ATOM 1824 C ALA A 878 -17.659 -0.311 -4.364 1.00 0.00 C ATOM 1825 O ALA A 878 -17.902 -0.505 -5.554 1.00 0.00 O ATOM 1826 CB ALA A 878 -15.364 0.370 -5.099 1.00 0.00 C ATOM 0 H ALA A 878 -15.073 -1.398 -3.329 1.00 0.00 H new ATOM 0 HA ALA A 878 -16.427 1.174 -3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 878 -15.810 1.060 -5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 878 -14.409 0.769 -4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 878 -15.204 -0.596 -5.578 1.00 0.00 H new ATOM 1832 N ALA A 879 -18.540 -0.532 -3.402 1.00 0.00 N ATOM 1833 CA ALA A 879 -19.840 -1.114 -3.675 1.00 0.00 C ATOM 1834 C ALA A 879 -20.923 -0.048 -3.723 1.00 0.00 C ATOM 1835 O ALA A 879 -21.606 0.111 -4.735 1.00 0.00 O ATOM 1836 CB ALA A 879 -20.173 -2.160 -2.625 1.00 0.00 C ATOM 0 H ALA A 879 -18.375 -0.315 -2.419 1.00 0.00 H new ATOM 0 HA ALA A 879 -19.799 -1.592 -4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -21.151 -2.591 -2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.418 -2.946 -2.642 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -20.189 -1.694 -1.640 1.00 0.00 H new ATOM 1842 N HIS A 880 -21.070 0.690 -2.634 1.00 0.00 N ATOM 1843 CA HIS A 880 -22.128 1.684 -2.531 1.00 0.00 C ATOM 1844 C HIS A 880 -21.690 2.871 -1.677 1.00 0.00 C ATOM 1845 O HIS A 880 -21.530 2.750 -0.462 1.00 0.00 O ATOM 1846 CB HIS A 880 -23.426 1.056 -1.967 1.00 0.00 C ATOM 1847 CG HIS A 880 -23.311 0.482 -0.577 1.00 0.00 C ATOM 1848 ND1 HIS A 880 -24.294 0.626 0.384 1.00 0.00 N ATOM 1849 CD2 HIS A 880 -22.322 -0.235 0.014 1.00 0.00 C ATOM 1850 CE1 HIS A 880 -23.910 0.029 1.497 1.00 0.00 C ATOM 1851 NE2 HIS A 880 -22.720 -0.499 1.297 1.00 0.00 N ATOM 0 H HIS A 880 -20.472 0.620 -1.811 1.00 0.00 H new ATOM 0 HA HIS A 880 -22.335 2.051 -3.536 1.00 0.00 H new ATOM 0 HB2 HIS A 880 -24.207 1.816 -1.965 1.00 0.00 H new ATOM 0 HB3 HIS A 880 -23.752 0.266 -2.643 1.00 0.00 H new ATOM 0 HD2 HIS A 880 -21.393 -0.541 -0.443 1.00 0.00 H new ATOM 0 HE1 HIS A 880 -24.476 -0.018 2.416 1.00 0.00 H new ATOM 0 HE2 HIS A 880 -22.181 -1.021 1.988 1.00 0.00 H new ATOM 1860 N PRO A 881 -21.442 4.026 -2.311 1.00 0.00 N ATOM 1861 CA PRO A 881 -21.227 5.278 -1.591 1.00 0.00 C ATOM 1862 C PRO A 881 -22.430 5.591 -0.721 1.00 0.00 C ATOM 1863 O PRO A 881 -22.295 5.827 0.481 1.00 0.00 O ATOM 1864 CB PRO A 881 -21.058 6.329 -2.699 1.00 0.00 C ATOM 1865 CG PRO A 881 -21.537 5.673 -3.953 1.00 0.00 C ATOM 1866 CD PRO A 881 -21.334 4.196 -3.767 1.00 0.00 C ATOM 0 HA PRO A 881 -20.365 5.244 -0.925 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -21.638 7.226 -2.480 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -20.017 6.637 -2.791 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -22.588 5.900 -4.133 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -20.980 6.035 -4.817 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -22.088 3.615 -4.298 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -20.362 3.872 -4.140 1.00 0.00 H new ATOM 1874 N ASP A 882 -23.600 5.538 -1.359 1.00 0.00 N ATOM 1875 CA ASP A 882 -24.902 5.712 -0.708 1.00 0.00 C ATOM 1876 C ASP A 882 -24.850 6.736 0.413 1.00 0.00 C ATOM 1877 O ASP A 882 -25.184 6.435 1.562 1.00 0.00 O ATOM 1878 CB ASP A 882 -25.403 4.371 -0.171 1.00 0.00 C ATOM 1879 CG ASP A 882 -26.743 3.988 -0.761 1.00 0.00 C ATOM 1880 OD1 ASP A 882 -26.865 3.961 -2.004 1.00 0.00 O ATOM 1881 OD2 ASP A 882 -27.678 3.701 0.015 1.00 0.00 O ATOM 0 H ASP A 882 -23.672 5.370 -2.362 1.00 0.00 H new ATOM 0 HA ASP A 882 -25.596 6.087 -1.460 1.00 0.00 H new ATOM 0 HB2 ASP A 882 -24.672 3.594 -0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 882 -25.487 4.424 0.914 1.00 0.00 H new ATOM 1886 N SER A 883 -24.436 7.943 0.067 1.00 0.00 N ATOM 1887 CA SER A 883 -24.253 9.003 1.042 1.00 0.00 C ATOM 1888 C SER A 883 -25.595 9.602 1.464 1.00 0.00 C ATOM 1889 O SER A 883 -25.894 10.765 1.184 1.00 0.00 O ATOM 1890 CB SER A 883 -23.333 10.074 0.456 1.00 0.00 C ATOM 1891 OG SER A 883 -23.214 9.928 -0.953 1.00 0.00 O ATOM 0 H SER A 883 -24.219 8.214 -0.892 1.00 0.00 H new ATOM 0 HA SER A 883 -23.791 8.587 1.937 1.00 0.00 H new ATOM 0 HB2 SER A 883 -23.725 11.064 0.691 1.00 0.00 H new ATOM 0 HB3 SER A 883 -22.348 10.004 0.917 1.00 0.00 H new ATOM 0 HG SER A 883 -22.622 10.625 -1.305 1.00 0.00 H new ATOM 1897 N GLU A 884 -26.405 8.785 2.123 1.00 0.00 N ATOM 1898 CA GLU A 884 -27.696 9.216 2.636 1.00 0.00 C ATOM 1899 C GLU A 884 -27.963 8.562 3.985 1.00 0.00 C ATOM 1900 O GLU A 884 -29.095 8.189 4.300 1.00 0.00 O ATOM 1901 CB GLU A 884 -28.813 8.872 1.648 1.00 0.00 C ATOM 1902 CG GLU A 884 -29.674 10.066 1.269 1.00 0.00 C ATOM 1903 CD GLU A 884 -30.941 10.168 2.099 1.00 0.00 C ATOM 1904 OE1 GLU A 884 -31.616 9.133 2.296 1.00 0.00 O ATOM 1905 OE2 GLU A 884 -31.282 11.291 2.537 1.00 0.00 O ATOM 0 H GLU A 884 -26.186 7.808 2.316 1.00 0.00 H new ATOM 0 HA GLU A 884 -27.676 10.298 2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 884 -28.372 8.451 0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 884 -29.447 8.100 2.083 1.00 0.00 H new ATOM 0 HG2 GLU A 884 -29.092 10.980 1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 884 -29.941 9.995 0.215 1.00 0.00 H new ATOM 1912 N GLU A 885 -26.909 8.410 4.777 1.00 0.00 N ATOM 1913 CA GLU A 885 -27.041 7.866 6.122 1.00 0.00 C ATOM 1914 C GLU A 885 -27.649 8.924 7.028 1.00 0.00 C ATOM 1915 O GLU A 885 -28.256 8.626 8.059 1.00 0.00 O ATOM 1916 CB GLU A 885 -25.685 7.412 6.667 1.00 0.00 C ATOM 1917 CG GLU A 885 -24.719 6.937 5.593 1.00 0.00 C ATOM 1918 CD GLU A 885 -23.355 7.588 5.708 1.00 0.00 C ATOM 1919 OE1 GLU A 885 -23.169 8.443 6.598 1.00 0.00 O ATOM 1920 OE2 GLU A 885 -22.456 7.242 4.912 1.00 0.00 O ATOM 0 H GLU A 885 -25.955 8.655 4.512 1.00 0.00 H new ATOM 0 HA GLU A 885 -27.693 6.993 6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 885 -25.229 8.238 7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 885 -25.843 6.605 7.383 1.00 0.00 H new ATOM 0 HG2 GLU A 885 -24.608 5.855 5.662 1.00 0.00 H new ATOM 0 HG3 GLU A 885 -25.139 7.153 4.610 1.00 0.00 H new ATOM 1927 N GLN A 886 -27.466 10.163 6.618 1.00 0.00 N ATOM 1928 CA GLN A 886 -28.099 11.299 7.256 1.00 0.00 C ATOM 1929 C GLN A 886 -28.948 12.024 6.226 1.00 0.00 C ATOM 1930 O GLN A 886 -28.423 12.469 5.204 1.00 0.00 O ATOM 1931 CB GLN A 886 -27.050 12.245 7.839 1.00 0.00 C ATOM 1932 CG GLN A 886 -27.582 13.118 8.962 1.00 0.00 C ATOM 1933 CD GLN A 886 -26.479 13.659 9.845 1.00 0.00 C ATOM 1934 OE1 GLN A 886 -25.998 14.774 9.646 1.00 0.00 O ATOM 1935 NE2 GLN A 886 -26.069 12.871 10.824 1.00 0.00 N ATOM 0 H GLN A 886 -26.870 10.411 5.828 1.00 0.00 H new ATOM 0 HA GLN A 886 -28.727 10.952 8.076 1.00 0.00 H new ATOM 0 HB2 GLN A 886 -26.210 11.659 8.212 1.00 0.00 H new ATOM 0 HB3 GLN A 886 -26.665 12.883 7.044 1.00 0.00 H new ATOM 0 HG2 GLN A 886 -28.144 13.950 8.537 1.00 0.00 H new ATOM 0 HG3 GLN A 886 -28.279 12.540 9.569 1.00 0.00 H new ATOM 0 HE21 GLN A 886 -26.496 11.954 10.953 1.00 0.00 H new ATOM 0 HE22 GLN A 886 -25.326 13.180 11.450 1.00 0.00 H new ATOM 1944 N GLN A 887 -30.252 12.106 6.503 1.00 0.00 N ATOM 1945 CA GLN A 887 -31.234 12.692 5.585 1.00 0.00 C ATOM 1946 C GLN A 887 -30.685 13.903 4.833 1.00 0.00 C ATOM 1947 O GLN A 887 -30.475 14.971 5.412 1.00 0.00 O ATOM 1948 CB GLN A 887 -32.494 13.091 6.355 1.00 0.00 C ATOM 1949 CG GLN A 887 -33.742 12.362 5.891 1.00 0.00 C ATOM 1950 CD GLN A 887 -34.314 12.945 4.614 1.00 0.00 C ATOM 1951 OE1 GLN A 887 -35.190 13.806 4.651 1.00 0.00 O ATOM 1952 NE2 GLN A 887 -33.818 12.485 3.476 1.00 0.00 N ATOM 0 H GLN A 887 -30.659 11.766 7.374 1.00 0.00 H new ATOM 0 HA GLN A 887 -31.473 11.930 4.843 1.00 0.00 H new ATOM 0 HB2 GLN A 887 -32.340 12.893 7.416 1.00 0.00 H new ATOM 0 HB3 GLN A 887 -32.650 14.165 6.250 1.00 0.00 H new ATOM 0 HG2 GLN A 887 -33.506 11.310 5.732 1.00 0.00 H new ATOM 0 HG3 GLN A 887 -34.497 12.405 6.676 1.00 0.00 H new ATOM 0 HE21 GLN A 887 -33.091 11.770 3.489 1.00 0.00 H new ATOM 0 HE22 GLN A 887 -34.163 12.846 2.587 1.00 0.00 H new ATOM 1961 N GLN A 888 -30.458 13.724 3.537 1.00 0.00 N ATOM 1962 CA GLN A 888 -29.890 14.773 2.698 1.00 0.00 C ATOM 1963 C GLN A 888 -30.969 15.757 2.254 1.00 0.00 C ATOM 1964 O GLN A 888 -31.134 16.028 1.063 1.00 0.00 O ATOM 1965 CB GLN A 888 -29.204 14.156 1.477 1.00 0.00 C ATOM 1966 CG GLN A 888 -27.845 13.552 1.786 1.00 0.00 C ATOM 1967 CD GLN A 888 -26.714 14.267 1.075 1.00 0.00 C ATOM 1968 OE1 GLN A 888 -26.635 15.496 1.082 1.00 0.00 O ATOM 1969 NE2 GLN A 888 -25.820 13.503 0.466 1.00 0.00 N ATOM 0 H GLN A 888 -30.660 12.856 3.041 1.00 0.00 H new ATOM 0 HA GLN A 888 -29.150 15.318 3.284 1.00 0.00 H new ATOM 0 HB2 GLN A 888 -29.850 13.383 1.059 1.00 0.00 H new ATOM 0 HB3 GLN A 888 -29.086 14.922 0.710 1.00 0.00 H new ATOM 0 HG2 GLN A 888 -27.672 13.587 2.862 1.00 0.00 H new ATOM 0 HG3 GLN A 888 -27.844 12.501 1.497 1.00 0.00 H new ATOM 0 HE21 GLN A 888 -25.920 12.488 0.483 1.00 0.00 H new ATOM 0 HE22 GLN A 888 -25.031 13.929 -0.020 1.00 0.00 H new ATOM 1978 N ARG A 889 -31.698 16.286 3.220 1.00 0.00 N ATOM 1979 CA ARG A 889 -32.775 17.222 2.952 1.00 0.00 C ATOM 1980 C ARG A 889 -32.951 18.147 4.145 1.00 0.00 C ATOM 1981 O ARG A 889 -31.980 18.301 4.917 1.00 0.00 O ATOM 1982 CB ARG A 889 -34.080 16.474 2.665 1.00 0.00 C ATOM 1983 CG ARG A 889 -34.883 17.067 1.521 1.00 0.00 C ATOM 1984 CD ARG A 889 -36.098 17.824 2.029 1.00 0.00 C ATOM 1985 NE ARG A 889 -36.362 19.029 1.244 1.00 0.00 N ATOM 1986 CZ ARG A 889 -36.039 20.261 1.640 1.00 0.00 C ATOM 1987 NH1 ARG A 889 -35.381 20.453 2.778 1.00 0.00 N ATOM 1988 NH2 ARG A 889 -36.358 21.303 0.884 1.00 0.00 N ATOM 1989 OXT ARG A 889 -34.054 18.702 4.317 1.00 0.00 O ATOM 0 H ARG A 889 -31.561 16.080 4.209 1.00 0.00 H new ATOM 0 HA ARG A 889 -32.520 17.812 2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 889 -33.849 15.434 2.435 1.00 0.00 H new ATOM 0 HB3 ARG A 889 -34.694 16.473 3.566 1.00 0.00 H new ATOM 0 HG2 ARG A 889 -34.251 17.739 0.941 1.00 0.00 H new ATOM 0 HG3 ARG A 889 -35.203 16.271 0.849 1.00 0.00 H new ATOM 0 HD2 ARG A 889 -36.971 17.172 1.996 1.00 0.00 H new ATOM 0 HD3 ARG A 889 -35.944 18.098 3.073 1.00 0.00 H new ATOM 0 HE ARG A 889 -36.821 18.921 0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 889 -35.119 19.655 3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 889 -35.138 21.399 3.073 1.00 0.00 H new ATOM 0 HH21 ARG A 889 -36.849 21.161 0.002 1.00 0.00 H new ATOM 0 HH22 ARG A 889 -36.112 22.246 1.185 1.00 0.00 H new TER 2003 ARG A 889