USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=29 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 886 GLN : amide:sc= 1.16 K(o=-0.89,f=-3.9) USER MOD Set 1.2: A 888 GLN : amide:sc= -2.05 K(o=-0.89,f=-2.9!) USER MOD Set 2.1: A 833 THR OG1 : rot -172:sc= 0.876 USER MOD Set 2.2: A 867 THR OG1 : rot 66:sc= 1.26 USER MOD Set 3.1: A 811 ASN : amide:sc= 0.532 K(o=2,f=-0.82!) USER MOD Set 3.2: A 825 GLN : amide:sc= 1.49 K(o=2,f=-2.3) USER MOD Single : A 752 SER OG : rot 180:sc= 0.136 USER MOD Single : A 753 HIS : no HD1:sc= -0.607 X(o=-0.61,f=-0.3) USER MOD Single : A 754 MET CE :methyl -147:sc= -0.129 (180deg=-0.68) USER MOD Single : A 755 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 758 THR OG1 : rot 180:sc= 0 USER MOD Single : A 762 GLN : amide:sc= 0.269 X(o=0.27,f=0) USER MOD Single : A 772 THR OG1 : rot 98:sc= 1.27 USER MOD Single : A 775 THR OG1 : rot 180:sc=-0.00202 USER MOD Single : A 776 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 779 ASN : amide:sc= -0.285 K(o=-0.28,f=-1.9!) USER MOD Single : A 783 GLN : amide:sc= 0.458 X(o=0.46,f=0) USER MOD Single : A 784 HIS : no HE2:sc= -4.43! C(o=-4.4!,f=-9.3!) USER MOD Single : A 786 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 788 HIS : no HE2:sc= 0.289 K(o=0.29,f=-1.4) USER MOD Single : A 790 THR OG1 : rot 98:sc= 1.26 USER MOD Single : A 798 TYR OH : rot 86:sc= 0.905 USER MOD Single : A 800 GLN : amide:sc= -0.0738 X(o=-0.074,f=0) USER MOD Single : A 802 THR OG1 : rot 35:sc= 0.487 USER MOD Single : A 804 THR OG1 : rot 65:sc= 0.875 USER MOD Single : A 807 THR OG1 : rot 71:sc= 0.982 USER MOD Single : A 809 THR OG1 : rot 85:sc= 1.2 USER MOD Single : A 814 SER OG : rot 180:sc= 0.108 USER MOD Single : A 815 SER OG : rot -84:sc= -2.54! USER MOD Single : A 816 MET CE :methyl 147:sc= -0.425 (180deg=-0.905) USER MOD Single : A 822 MET CE :methyl 164:sc= -0.215 (180deg=-0.887) USER MOD Single : A 831 GLN : amide:sc= -0.0093 X(o=-0.0093,f=-0.18) USER MOD Single : A 834 SER OG : rot 72:sc= 1.29 USER MOD Single : A 838 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 841 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.07) USER MOD Single : A 848 SER OG : rot 180:sc= 0.0867 USER MOD Single : A 852 ASN : amide:sc= 0.0158 K(o=0.016,f=-3) USER MOD Single : A 853 SER OG : rot 176:sc= 0.613 USER MOD Single : A 855 LYS NZ :NH3+ -173:sc= 1.24 (180deg=0.94) USER MOD Single : A 858 SER OG : rot 63:sc= 1.22 USER MOD Single : A 861 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 LYS NZ :NH3+ -164:sc= 1.18 (180deg=0.596) USER MOD Single : A 870 MET CE :methyl 161:sc= -3.16! (180deg=-4.33!) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 880 HIS : no HE2:sc= -0.104 K(o=-0.1,f=-2.6!) USER MOD Single : A 883 SER OG : rot 120:sc= -0.16 USER MOD Single : A 887 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 751 -16.540 4.894 25.420 1.00 0.00 N ATOM 2 CA GLY A 751 -15.981 3.894 24.481 1.00 0.00 C ATOM 3 C GLY A 751 -16.855 3.723 23.261 1.00 0.00 C ATOM 4 O GLY A 751 -18.062 3.950 23.326 1.00 0.00 O ATOM 0 HA2 GLY A 751 -14.982 4.203 24.173 1.00 0.00 H new ATOM 0 HA3 GLY A 751 -15.875 2.936 24.990 1.00 0.00 H new ATOM 10 N SER A 752 -16.255 3.318 22.150 1.00 0.00 N ATOM 11 CA SER A 752 -16.983 3.140 20.899 1.00 0.00 C ATOM 12 C SER A 752 -17.697 1.789 20.867 1.00 0.00 C ATOM 13 O SER A 752 -17.740 1.124 19.828 1.00 0.00 O ATOM 14 CB SER A 752 -16.009 3.255 19.728 1.00 0.00 C ATOM 15 OG SER A 752 -14.677 3.415 20.199 1.00 0.00 O ATOM 0 H SER A 752 -15.259 3.105 22.089 1.00 0.00 H new ATOM 0 HA SER A 752 -17.742 3.918 20.819 1.00 0.00 H new ATOM 0 HB2 SER A 752 -16.075 2.364 19.104 1.00 0.00 H new ATOM 0 HB3 SER A 752 -16.283 4.104 19.102 1.00 0.00 H new ATOM 0 HG SER A 752 -14.066 3.485 19.436 1.00 0.00 H new ATOM 21 N HIS A 753 -18.268 1.410 22.009 1.00 0.00 N ATOM 22 CA HIS A 753 -18.931 0.121 22.180 1.00 0.00 C ATOM 23 C HIS A 753 -17.986 -1.029 21.857 1.00 0.00 C ATOM 24 O HIS A 753 -18.088 -1.660 20.809 1.00 0.00 O ATOM 25 CB HIS A 753 -20.197 0.030 21.323 1.00 0.00 C ATOM 26 CG HIS A 753 -21.423 -0.294 22.119 1.00 0.00 C ATOM 27 ND1 HIS A 753 -22.690 -0.297 21.585 1.00 0.00 N ATOM 28 CD2 HIS A 753 -21.571 -0.620 23.424 1.00 0.00 C ATOM 29 CE1 HIS A 753 -23.563 -0.604 22.523 1.00 0.00 C ATOM 30 NE2 HIS A 753 -22.911 -0.805 23.650 1.00 0.00 N ATOM 0 H HIS A 753 -18.283 1.993 22.846 1.00 0.00 H new ATOM 0 HA HIS A 753 -19.223 0.040 23.227 1.00 0.00 H new ATOM 0 HB2 HIS A 753 -20.347 0.977 20.805 1.00 0.00 H new ATOM 0 HB3 HIS A 753 -20.056 -0.733 20.557 1.00 0.00 H new ATOM 0 HD2 HIS A 753 -20.780 -0.717 24.153 1.00 0.00 H new ATOM 0 HE1 HIS A 753 -24.632 -0.678 22.390 1.00 0.00 H new ATOM 0 HE2 HIS A 753 -23.333 -1.057 24.544 1.00 0.00 H new ATOM 39 N MET A 754 -17.057 -1.288 22.766 1.00 0.00 N ATOM 40 CA MET A 754 -16.123 -2.392 22.609 1.00 0.00 C ATOM 41 C MET A 754 -16.862 -3.726 22.707 1.00 0.00 C ATOM 42 O MET A 754 -16.479 -4.709 22.070 1.00 0.00 O ATOM 43 CB MET A 754 -15.019 -2.304 23.672 1.00 0.00 C ATOM 44 CG MET A 754 -14.311 -3.620 23.958 1.00 0.00 C ATOM 45 SD MET A 754 -13.933 -3.836 25.710 1.00 0.00 S ATOM 46 CE MET A 754 -14.902 -5.296 26.089 1.00 0.00 C ATOM 0 H MET A 754 -16.930 -0.747 23.621 1.00 0.00 H new ATOM 0 HA MET A 754 -15.660 -2.327 21.624 1.00 0.00 H new ATOM 0 HB2 MET A 754 -14.280 -1.571 23.350 1.00 0.00 H new ATOM 0 HB3 MET A 754 -15.454 -1.931 24.599 1.00 0.00 H new ATOM 0 HG2 MET A 754 -14.937 -4.446 23.620 1.00 0.00 H new ATOM 0 HG3 MET A 754 -13.387 -3.664 23.382 1.00 0.00 H new ATOM 0 HE1 MET A 754 -15.261 -5.238 27.116 1.00 0.00 H new ATOM 0 HE2 MET A 754 -15.753 -5.354 25.410 1.00 0.00 H new ATOM 0 HE3 MET A 754 -14.282 -6.185 25.971 1.00 0.00 H new ATOM 56 N GLN A 755 -17.934 -3.745 23.490 1.00 0.00 N ATOM 57 CA GLN A 755 -18.721 -4.956 23.680 1.00 0.00 C ATOM 58 C GLN A 755 -20.067 -4.852 22.968 1.00 0.00 C ATOM 59 O GLN A 755 -20.779 -3.854 23.112 1.00 0.00 O ATOM 60 CB GLN A 755 -18.940 -5.219 25.170 1.00 0.00 C ATOM 61 CG GLN A 755 -19.456 -6.619 25.466 1.00 0.00 C ATOM 62 CD GLN A 755 -18.368 -7.549 25.963 1.00 0.00 C ATOM 63 OE1 GLN A 755 -18.239 -7.784 27.163 1.00 0.00 O ATOM 64 NE2 GLN A 755 -17.583 -8.090 25.048 1.00 0.00 N ATOM 0 H GLN A 755 -18.278 -2.934 24.004 1.00 0.00 H new ATOM 0 HA GLN A 755 -18.166 -5.789 23.248 1.00 0.00 H new ATOM 0 HB2 GLN A 755 -18.000 -5.066 25.700 1.00 0.00 H new ATOM 0 HB3 GLN A 755 -19.649 -4.488 25.560 1.00 0.00 H new ATOM 0 HG2 GLN A 755 -20.247 -6.560 26.213 1.00 0.00 H new ATOM 0 HG3 GLN A 755 -19.901 -7.037 24.563 1.00 0.00 H new ATOM 0 HE21 GLN A 755 -17.722 -7.870 24.062 1.00 0.00 H new ATOM 0 HE22 GLN A 755 -16.838 -8.728 25.328 1.00 0.00 H new ATOM 73 N ALA A 756 -20.396 -5.893 22.203 1.00 0.00 N ATOM 74 CA ALA A 756 -21.671 -5.991 21.491 1.00 0.00 C ATOM 75 C ALA A 756 -21.852 -4.848 20.493 1.00 0.00 C ATOM 76 O ALA A 756 -22.935 -4.268 20.380 1.00 0.00 O ATOM 77 CB ALA A 756 -22.837 -6.039 22.472 1.00 0.00 C ATOM 0 H ALA A 756 -19.783 -6.696 22.059 1.00 0.00 H new ATOM 0 HA ALA A 756 -21.657 -6.922 20.924 1.00 0.00 H new ATOM 0 HB1 ALA A 756 -23.774 -6.112 21.920 1.00 0.00 H new ATOM 0 HB2 ALA A 756 -22.730 -6.908 23.122 1.00 0.00 H new ATOM 0 HB3 ALA A 756 -22.841 -5.132 23.077 1.00 0.00 H new ATOM 83 N ALA A 757 -20.788 -4.535 19.770 1.00 0.00 N ATOM 84 CA ALA A 757 -20.831 -3.488 18.761 1.00 0.00 C ATOM 85 C ALA A 757 -21.512 -3.981 17.493 1.00 0.00 C ATOM 86 O ALA A 757 -21.451 -5.167 17.157 1.00 0.00 O ATOM 87 CB ALA A 757 -19.428 -3.003 18.437 1.00 0.00 C ATOM 0 H ALA A 757 -19.881 -4.993 19.864 1.00 0.00 H new ATOM 0 HA ALA A 757 -21.410 -2.658 19.166 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -19.479 -2.220 17.680 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -18.963 -2.606 19.339 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -18.834 -3.835 18.059 1.00 0.00 H new ATOM 93 N THR A 758 -22.159 -3.066 16.794 1.00 0.00 N ATOM 94 CA THR A 758 -22.798 -3.376 15.526 1.00 0.00 C ATOM 95 C THR A 758 -22.131 -2.602 14.397 1.00 0.00 C ATOM 96 O THR A 758 -22.419 -2.819 13.220 1.00 0.00 O ATOM 97 CB THR A 758 -24.295 -3.024 15.560 1.00 0.00 C ATOM 98 OG1 THR A 758 -24.526 -1.987 16.526 1.00 0.00 O ATOM 99 CG2 THR A 758 -25.132 -4.247 15.902 1.00 0.00 C ATOM 0 H THR A 758 -22.257 -2.093 17.086 1.00 0.00 H new ATOM 0 HA THR A 758 -22.690 -4.447 15.353 1.00 0.00 H new ATOM 0 HB THR A 758 -24.591 -2.673 14.571 1.00 0.00 H new ATOM 0 HG1 THR A 758 -25.480 -1.764 16.544 1.00 0.00 H new ATOM 0 HG21 THR A 758 -26.187 -3.973 15.920 1.00 0.00 H new ATOM 0 HG22 THR A 758 -24.971 -5.020 15.150 1.00 0.00 H new ATOM 0 HG23 THR A 758 -24.839 -4.626 16.881 1.00 0.00 H new ATOM 107 N GLU A 759 -21.220 -1.713 14.772 1.00 0.00 N ATOM 108 CA GLU A 759 -20.559 -0.827 13.820 1.00 0.00 C ATOM 109 C GLU A 759 -19.410 -1.537 13.110 1.00 0.00 C ATOM 110 O GLU A 759 -18.261 -1.089 13.150 1.00 0.00 O ATOM 111 CB GLU A 759 -20.048 0.440 14.521 1.00 0.00 C ATOM 112 CG GLU A 759 -19.915 0.312 16.032 1.00 0.00 C ATOM 113 CD GLU A 759 -21.234 0.505 16.753 1.00 0.00 C ATOM 114 OE1 GLU A 759 -21.820 1.604 16.658 1.00 0.00 O ATOM 115 OE2 GLU A 759 -21.706 -0.452 17.396 1.00 0.00 O ATOM 0 H GLU A 759 -20.919 -1.585 15.738 1.00 0.00 H new ATOM 0 HA GLU A 759 -21.296 -0.539 13.070 1.00 0.00 H new ATOM 0 HB2 GLU A 759 -19.076 0.705 14.104 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -20.726 1.263 14.297 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -19.513 -0.672 16.275 1.00 0.00 H new ATOM 0 HG3 GLU A 759 -19.197 1.048 16.393 1.00 0.00 H new ATOM 122 N ASP A 760 -19.730 -2.646 12.466 1.00 0.00 N ATOM 123 CA ASP A 760 -18.755 -3.403 11.699 1.00 0.00 C ATOM 124 C ASP A 760 -19.166 -3.422 10.236 1.00 0.00 C ATOM 125 O ASP A 760 -20.284 -3.819 9.906 1.00 0.00 O ATOM 126 CB ASP A 760 -18.642 -4.833 12.234 1.00 0.00 C ATOM 127 CG ASP A 760 -17.855 -5.744 11.310 1.00 0.00 C ATOM 128 OD1 ASP A 760 -16.608 -5.675 11.319 1.00 0.00 O ATOM 129 OD2 ASP A 760 -18.480 -6.543 10.578 1.00 0.00 O ATOM 0 H ASP A 760 -20.668 -3.046 12.460 1.00 0.00 H new ATOM 0 HA ASP A 760 -17.780 -2.925 11.795 1.00 0.00 H new ATOM 0 HB2 ASP A 760 -18.163 -4.813 13.213 1.00 0.00 H new ATOM 0 HB3 ASP A 760 -19.642 -5.243 12.377 1.00 0.00 H new ATOM 134 N GLY A 761 -18.276 -2.975 9.368 1.00 0.00 N ATOM 135 CA GLY A 761 -18.597 -2.908 7.959 1.00 0.00 C ATOM 136 C GLY A 761 -17.448 -3.352 7.084 1.00 0.00 C ATOM 137 O GLY A 761 -16.633 -4.177 7.487 1.00 0.00 O ATOM 0 H GLY A 761 -17.338 -2.657 9.612 1.00 0.00 H new ATOM 0 HA2 GLY A 761 -19.466 -3.534 7.757 1.00 0.00 H new ATOM 0 HA3 GLY A 761 -18.873 -1.886 7.700 1.00 0.00 H new ATOM 141 N GLN A 762 -17.382 -2.795 5.887 1.00 0.00 N ATOM 142 CA GLN A 762 -16.344 -3.140 4.931 1.00 0.00 C ATOM 143 C GLN A 762 -15.429 -1.949 4.683 1.00 0.00 C ATOM 144 O GLN A 762 -14.230 -2.112 4.452 1.00 0.00 O ATOM 145 CB GLN A 762 -16.978 -3.588 3.614 1.00 0.00 C ATOM 146 CG GLN A 762 -16.393 -4.874 3.061 1.00 0.00 C ATOM 147 CD GLN A 762 -15.957 -4.737 1.616 1.00 0.00 C ATOM 148 OE1 GLN A 762 -14.781 -4.511 1.327 1.00 0.00 O ATOM 149 NE2 GLN A 762 -16.900 -4.887 0.699 1.00 0.00 N ATOM 0 H GLN A 762 -18.043 -2.094 5.552 1.00 0.00 H new ATOM 0 HA GLN A 762 -15.751 -3.957 5.343 1.00 0.00 H new ATOM 0 HB2 GLN A 762 -18.049 -3.722 3.764 1.00 0.00 H new ATOM 0 HB3 GLN A 762 -16.856 -2.796 2.875 1.00 0.00 H new ATOM 0 HG2 GLN A 762 -15.538 -5.172 3.669 1.00 0.00 H new ATOM 0 HG3 GLN A 762 -17.133 -5.670 3.140 1.00 0.00 H new ATOM 0 HE21 GLN A 762 -17.862 -5.073 0.982 1.00 0.00 H new ATOM 0 HE22 GLN A 762 -16.665 -4.816 -0.291 1.00 0.00 H new ATOM 158 N LEU A 763 -16.003 -0.752 4.747 1.00 0.00 N ATOM 159 CA LEU A 763 -15.269 0.476 4.462 1.00 0.00 C ATOM 160 C LEU A 763 -14.092 0.659 5.418 1.00 0.00 C ATOM 161 O LEU A 763 -12.944 0.760 4.991 1.00 0.00 O ATOM 162 CB LEU A 763 -16.205 1.685 4.553 1.00 0.00 C ATOM 163 CG LEU A 763 -16.463 2.418 3.232 1.00 0.00 C ATOM 164 CD1 LEU A 763 -15.187 3.068 2.720 1.00 0.00 C ATOM 165 CD2 LEU A 763 -17.030 1.463 2.190 1.00 0.00 C ATOM 0 H LEU A 763 -16.981 -0.606 4.996 1.00 0.00 H new ATOM 0 HA LEU A 763 -14.874 0.399 3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 763 -17.161 1.353 4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 763 -15.786 2.394 5.267 1.00 0.00 H new ATOM 0 HG LEU A 763 -17.198 3.202 3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 763 -15.392 3.583 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 763 -14.824 3.786 3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 763 -14.429 2.302 2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 763 -17.206 2.003 1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 763 -16.320 0.655 2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 763 -17.970 1.047 2.552 1.00 0.00 H new ATOM 177 N LEU A 764 -14.370 0.688 6.709 1.00 0.00 N ATOM 178 CA LEU A 764 -13.328 0.939 7.691 1.00 0.00 C ATOM 179 C LEU A 764 -12.571 -0.337 8.031 1.00 0.00 C ATOM 180 O LEU A 764 -11.357 -0.312 8.228 1.00 0.00 O ATOM 181 CB LEU A 764 -13.922 1.552 8.961 1.00 0.00 C ATOM 182 CG LEU A 764 -13.551 3.013 9.211 1.00 0.00 C ATOM 183 CD1 LEU A 764 -14.661 3.724 9.970 1.00 0.00 C ATOM 184 CD2 LEU A 764 -12.237 3.107 9.973 1.00 0.00 C ATOM 0 H LEU A 764 -15.300 0.542 7.101 1.00 0.00 H new ATOM 0 HA LEU A 764 -12.624 1.646 7.253 1.00 0.00 H new ATOM 0 HB2 LEU A 764 -15.008 1.473 8.910 1.00 0.00 H new ATOM 0 HB3 LEU A 764 -13.599 0.960 9.817 1.00 0.00 H new ATOM 0 HG LEU A 764 -13.425 3.505 8.247 1.00 0.00 H new ATOM 0 HD11 LEU A 764 -14.379 4.763 10.139 1.00 0.00 H new ATOM 0 HD12 LEU A 764 -15.581 3.688 9.387 1.00 0.00 H new ATOM 0 HD13 LEU A 764 -14.820 3.231 10.929 1.00 0.00 H new ATOM 0 HD21 LEU A 764 -11.989 4.155 10.142 1.00 0.00 H new ATOM 0 HD22 LEU A 764 -12.335 2.598 10.932 1.00 0.00 H new ATOM 0 HD23 LEU A 764 -11.445 2.636 9.392 1.00 0.00 H new ATOM 196 N ARG A 765 -13.288 -1.452 8.091 1.00 0.00 N ATOM 197 CA ARG A 765 -12.677 -2.726 8.448 1.00 0.00 C ATOM 198 C ARG A 765 -11.694 -3.187 7.377 1.00 0.00 C ATOM 199 O ARG A 765 -10.567 -3.572 7.683 1.00 0.00 O ATOM 200 CB ARG A 765 -13.750 -3.794 8.664 1.00 0.00 C ATOM 201 CG ARG A 765 -13.324 -4.902 9.614 1.00 0.00 C ATOM 202 CD ARG A 765 -13.706 -6.272 9.079 1.00 0.00 C ATOM 203 NE ARG A 765 -15.151 -6.489 9.113 1.00 0.00 N ATOM 204 CZ ARG A 765 -15.814 -7.255 8.247 1.00 0.00 C ATOM 205 NH1 ARG A 765 -15.163 -7.914 7.292 1.00 0.00 N ATOM 206 NH2 ARG A 765 -17.131 -7.371 8.347 1.00 0.00 N ATOM 0 H ARG A 765 -14.288 -1.500 7.898 1.00 0.00 H new ATOM 0 HA ARG A 765 -12.127 -2.580 9.378 1.00 0.00 H new ATOM 0 HB2 ARG A 765 -14.650 -3.319 9.054 1.00 0.00 H new ATOM 0 HB3 ARG A 765 -14.013 -4.233 7.702 1.00 0.00 H new ATOM 0 HG2 ARG A 765 -12.246 -4.857 9.766 1.00 0.00 H new ATOM 0 HG3 ARG A 765 -13.790 -4.747 10.587 1.00 0.00 H new ATOM 0 HD2 ARG A 765 -13.348 -6.374 8.055 1.00 0.00 H new ATOM 0 HD3 ARG A 765 -13.210 -7.043 9.668 1.00 0.00 H new ATOM 0 HE ARG A 765 -15.686 -6.024 9.846 1.00 0.00 H new ATOM 0 HH11 ARG A 765 -14.149 -7.835 7.219 1.00 0.00 H new ATOM 0 HH12 ARG A 765 -15.678 -8.498 6.633 1.00 0.00 H new ATOM 0 HH21 ARG A 765 -17.632 -6.875 9.084 1.00 0.00 H new ATOM 0 HH22 ARG A 765 -17.643 -7.956 7.687 1.00 0.00 H new ATOM 220 N GLY A 766 -12.117 -3.134 6.122 1.00 0.00 N ATOM 221 CA GLY A 766 -11.273 -3.599 5.042 1.00 0.00 C ATOM 222 C GLY A 766 -10.288 -2.549 4.581 1.00 0.00 C ATOM 223 O GLY A 766 -9.076 -2.730 4.710 1.00 0.00 O ATOM 0 H GLY A 766 -13.028 -2.778 5.833 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -10.728 -4.485 5.367 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -11.898 -3.900 4.201 1.00 0.00 H new ATOM 227 N VAL A 767 -10.808 -1.445 4.057 1.00 0.00 N ATOM 228 CA VAL A 767 -9.966 -0.396 3.492 1.00 0.00 C ATOM 229 C VAL A 767 -9.128 0.277 4.568 1.00 0.00 C ATOM 230 O VAL A 767 -7.941 0.516 4.374 1.00 0.00 O ATOM 231 CB VAL A 767 -10.793 0.683 2.763 1.00 0.00 C ATOM 232 CG1 VAL A 767 -9.932 1.421 1.751 1.00 0.00 C ATOM 233 CG2 VAL A 767 -12.010 0.070 2.088 1.00 0.00 C ATOM 0 H VAL A 767 -11.809 -1.253 4.011 1.00 0.00 H new ATOM 0 HA VAL A 767 -9.314 -0.887 2.770 1.00 0.00 H new ATOM 0 HB VAL A 767 -11.145 1.401 3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 767 -10.532 2.178 1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 767 -9.098 1.901 2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 767 -9.547 0.714 1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 767 -12.577 0.851 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 767 -11.686 -0.674 1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 767 -12.641 -0.407 2.838 1.00 0.00 H new ATOM 243 N GLY A 768 -9.752 0.573 5.701 1.00 0.00 N ATOM 244 CA GLY A 768 -9.053 1.242 6.784 1.00 0.00 C ATOM 245 C GLY A 768 -7.839 0.469 7.262 1.00 0.00 C ATOM 246 O GLY A 768 -6.750 1.030 7.396 1.00 0.00 O ATOM 0 H GLY A 768 -10.732 0.362 5.891 1.00 0.00 H new ATOM 0 HA2 GLY A 768 -8.741 2.232 6.453 1.00 0.00 H new ATOM 0 HA3 GLY A 768 -9.739 1.387 7.619 1.00 0.00 H new ATOM 250 N ALA A 769 -8.019 -0.825 7.498 1.00 0.00 N ATOM 251 CA ALA A 769 -6.931 -1.670 7.973 1.00 0.00 C ATOM 252 C ALA A 769 -5.856 -1.832 6.904 1.00 0.00 C ATOM 253 O ALA A 769 -4.659 -1.803 7.204 1.00 0.00 O ATOM 254 CB ALA A 769 -7.462 -3.028 8.401 1.00 0.00 C ATOM 0 H ALA A 769 -8.906 -1.311 7.368 1.00 0.00 H new ATOM 0 HA ALA A 769 -6.478 -1.183 8.837 1.00 0.00 H new ATOM 0 HB1 ALA A 769 -6.637 -3.647 8.753 1.00 0.00 H new ATOM 0 HB2 ALA A 769 -8.187 -2.898 9.205 1.00 0.00 H new ATOM 0 HB3 ALA A 769 -7.944 -3.514 7.553 1.00 0.00 H new ATOM 260 N ALA A 770 -6.287 -1.985 5.657 1.00 0.00 N ATOM 261 CA ALA A 770 -5.368 -2.164 4.540 1.00 0.00 C ATOM 262 C ALA A 770 -4.562 -0.896 4.279 1.00 0.00 C ATOM 263 O ALA A 770 -3.347 -0.950 4.088 1.00 0.00 O ATOM 264 CB ALA A 770 -6.132 -2.578 3.290 1.00 0.00 C ATOM 0 H ALA A 770 -7.272 -1.989 5.394 1.00 0.00 H new ATOM 0 HA ALA A 770 -4.667 -2.956 4.802 1.00 0.00 H new ATOM 0 HB1 ALA A 770 -5.434 -2.708 2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 770 -6.653 -3.517 3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 770 -6.857 -1.805 3.034 1.00 0.00 H new ATOM 270 N ALA A 771 -5.243 0.243 4.282 1.00 0.00 N ATOM 271 CA ALA A 771 -4.594 1.527 4.050 1.00 0.00 C ATOM 272 C ALA A 771 -3.548 1.806 5.122 1.00 0.00 C ATOM 273 O ALA A 771 -2.408 2.163 4.817 1.00 0.00 O ATOM 274 CB ALA A 771 -5.629 2.641 4.009 1.00 0.00 C ATOM 0 H ALA A 771 -6.248 0.303 4.443 1.00 0.00 H new ATOM 0 HA ALA A 771 -4.087 1.487 3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 771 -5.130 3.595 3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 771 -6.338 2.450 3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 771 -6.162 2.678 4.959 1.00 0.00 H new ATOM 280 N THR A 772 -3.939 1.621 6.380 1.00 0.00 N ATOM 281 CA THR A 772 -3.036 1.834 7.503 1.00 0.00 C ATOM 282 C THR A 772 -1.867 0.849 7.461 1.00 0.00 C ATOM 283 O THR A 772 -0.750 1.181 7.865 1.00 0.00 O ATOM 284 CB THR A 772 -3.786 1.708 8.841 1.00 0.00 C ATOM 285 OG1 THR A 772 -4.991 2.485 8.788 1.00 0.00 O ATOM 286 CG2 THR A 772 -2.927 2.183 10.003 1.00 0.00 C ATOM 0 H THR A 772 -4.878 1.323 6.646 1.00 0.00 H new ATOM 0 HA THR A 772 -2.638 2.846 7.421 1.00 0.00 H new ATOM 0 HB THR A 772 -4.024 0.657 9.001 1.00 0.00 H new ATOM 0 HG1 THR A 772 -5.747 1.902 8.565 1.00 0.00 H new ATOM 0 HG21 THR A 772 -3.485 2.081 10.934 1.00 0.00 H new ATOM 0 HG22 THR A 772 -2.021 1.580 10.056 1.00 0.00 H new ATOM 0 HG23 THR A 772 -2.659 3.229 9.853 1.00 0.00 H new ATOM 294 N ALA A 773 -2.123 -0.352 6.947 1.00 0.00 N ATOM 295 CA ALA A 773 -1.077 -1.356 6.799 1.00 0.00 C ATOM 296 C ALA A 773 0.024 -0.846 5.879 1.00 0.00 C ATOM 297 O ALA A 773 1.207 -0.980 6.183 1.00 0.00 O ATOM 298 CB ALA A 773 -1.655 -2.658 6.267 1.00 0.00 C ATOM 0 H ALA A 773 -3.044 -0.651 6.627 1.00 0.00 H new ATOM 0 HA ALA A 773 -0.645 -1.549 7.781 1.00 0.00 H new ATOM 0 HB1 ALA A 773 -0.858 -3.394 6.164 1.00 0.00 H new ATOM 0 HB2 ALA A 773 -2.407 -3.033 6.961 1.00 0.00 H new ATOM 0 HB3 ALA A 773 -2.114 -2.482 5.294 1.00 0.00 H new ATOM 304 N VAL A 774 -0.375 -0.240 4.765 1.00 0.00 N ATOM 305 CA VAL A 774 0.577 0.333 3.823 1.00 0.00 C ATOM 306 C VAL A 774 1.346 1.478 4.473 1.00 0.00 C ATOM 307 O VAL A 774 2.558 1.601 4.301 1.00 0.00 O ATOM 308 CB VAL A 774 -0.122 0.844 2.543 1.00 0.00 C ATOM 309 CG1 VAL A 774 0.893 1.381 1.544 1.00 0.00 C ATOM 310 CG2 VAL A 774 -0.948 -0.263 1.915 1.00 0.00 C ATOM 0 H VAL A 774 -1.352 -0.134 4.493 1.00 0.00 H new ATOM 0 HA VAL A 774 1.270 -0.460 3.541 1.00 0.00 H new ATOM 0 HB VAL A 774 -0.786 1.662 2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 774 0.374 1.734 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 774 1.445 2.207 1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 774 1.588 0.587 1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 774 -1.434 0.112 1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 774 -0.299 -1.099 1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 774 -1.705 -0.598 2.623 1.00 0.00 H new ATOM 320 N THR A 775 0.636 2.300 5.243 1.00 0.00 N ATOM 321 CA THR A 775 1.258 3.417 5.942 1.00 0.00 C ATOM 322 C THR A 775 2.349 2.918 6.889 1.00 0.00 C ATOM 323 O THR A 775 3.477 3.416 6.876 1.00 0.00 O ATOM 324 CB THR A 775 0.222 4.230 6.746 1.00 0.00 C ATOM 325 OG1 THR A 775 -1.041 4.241 6.064 1.00 0.00 O ATOM 326 CG2 THR A 775 0.701 5.659 6.955 1.00 0.00 C ATOM 0 H THR A 775 -0.368 2.212 5.397 1.00 0.00 H new ATOM 0 HA THR A 775 1.699 4.066 5.185 1.00 0.00 H new ATOM 0 HB THR A 775 0.101 3.754 7.719 1.00 0.00 H new ATOM 0 HG1 THR A 775 -1.690 4.758 6.585 1.00 0.00 H new ATOM 0 HG21 THR A 775 -0.045 6.213 7.524 1.00 0.00 H new ATOM 0 HG22 THR A 775 1.643 5.650 7.503 1.00 0.00 H new ATOM 0 HG23 THR A 775 0.849 6.138 5.987 1.00 0.00 H new ATOM 334 N GLN A 776 2.009 1.914 7.688 1.00 0.00 N ATOM 335 CA GLN A 776 2.945 1.345 8.645 1.00 0.00 C ATOM 336 C GLN A 776 4.083 0.617 7.932 1.00 0.00 C ATOM 337 O GLN A 776 5.242 0.749 8.316 1.00 0.00 O ATOM 338 CB GLN A 776 2.218 0.391 9.597 1.00 0.00 C ATOM 339 CG GLN A 776 2.061 0.947 11.004 1.00 0.00 C ATOM 340 CD GLN A 776 0.889 0.340 11.754 1.00 0.00 C ATOM 341 OE1 GLN A 776 -0.139 0.990 11.960 1.00 0.00 O ATOM 342 NE2 GLN A 776 1.038 -0.902 12.181 1.00 0.00 N ATOM 0 H GLN A 776 1.088 1.477 7.691 1.00 0.00 H new ATOM 0 HA GLN A 776 3.375 2.162 9.225 1.00 0.00 H new ATOM 0 HB2 GLN A 776 1.232 0.166 9.191 1.00 0.00 H new ATOM 0 HB3 GLN A 776 2.766 -0.550 9.645 1.00 0.00 H new ATOM 0 HG2 GLN A 776 2.978 0.765 11.565 1.00 0.00 H new ATOM 0 HG3 GLN A 776 1.930 2.028 10.949 1.00 0.00 H new ATOM 0 HE21 GLN A 776 1.904 -1.406 11.990 1.00 0.00 H new ATOM 0 HE22 GLN A 776 0.287 -1.356 12.701 1.00 0.00 H new ATOM 351 N ALA A 777 3.744 -0.133 6.886 1.00 0.00 N ATOM 352 CA ALA A 777 4.731 -0.906 6.132 1.00 0.00 C ATOM 353 C ALA A 777 5.759 -0.001 5.462 1.00 0.00 C ATOM 354 O ALA A 777 6.952 -0.308 5.449 1.00 0.00 O ATOM 355 CB ALA A 777 4.041 -1.778 5.092 1.00 0.00 C ATOM 0 H ALA A 777 2.789 -0.223 6.539 1.00 0.00 H new ATOM 0 HA ALA A 777 5.259 -1.546 6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 777 4.789 -2.347 4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 777 3.357 -2.466 5.590 1.00 0.00 H new ATOM 0 HB3 ALA A 777 3.482 -1.147 4.401 1.00 0.00 H new ATOM 361 N LEU A 778 5.296 1.112 4.906 1.00 0.00 N ATOM 362 CA LEU A 778 6.190 2.066 4.265 1.00 0.00 C ATOM 363 C LEU A 778 7.138 2.674 5.288 1.00 0.00 C ATOM 364 O LEU A 778 8.343 2.771 5.051 1.00 0.00 O ATOM 365 CB LEU A 778 5.397 3.172 3.570 1.00 0.00 C ATOM 366 CG LEU A 778 6.225 4.070 2.650 1.00 0.00 C ATOM 367 CD1 LEU A 778 5.936 3.751 1.195 1.00 0.00 C ATOM 368 CD2 LEU A 778 5.952 5.534 2.945 1.00 0.00 C ATOM 0 H LEU A 778 4.311 1.375 4.886 1.00 0.00 H new ATOM 0 HA LEU A 778 6.772 1.532 3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 778 4.598 2.715 2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 778 4.922 3.793 4.330 1.00 0.00 H new ATOM 0 HG LEU A 778 7.281 3.877 2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 778 6.534 4.400 0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 778 6.188 2.710 0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 778 4.878 3.914 0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 778 6.550 6.157 2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 778 4.895 5.746 2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 778 6.215 5.752 3.980 1.00 0.00 H new ATOM 380 N ASN A 779 6.587 3.069 6.430 1.00 0.00 N ATOM 381 CA ASN A 779 7.387 3.628 7.513 1.00 0.00 C ATOM 382 C ASN A 779 8.368 2.583 8.036 1.00 0.00 C ATOM 383 O ASN A 779 9.479 2.910 8.458 1.00 0.00 O ATOM 384 CB ASN A 779 6.492 4.112 8.652 1.00 0.00 C ATOM 385 CG ASN A 779 6.289 5.614 8.632 1.00 0.00 C ATOM 386 OD1 ASN A 779 7.128 6.363 8.126 1.00 0.00 O ATOM 387 ND2 ASN A 779 5.178 6.065 9.190 1.00 0.00 N ATOM 0 H ASN A 779 5.588 3.012 6.630 1.00 0.00 H new ATOM 0 HA ASN A 779 7.944 4.479 7.121 1.00 0.00 H new ATOM 0 HB2 ASN A 779 5.523 3.617 8.584 1.00 0.00 H new ATOM 0 HB3 ASN A 779 6.933 3.821 9.605 1.00 0.00 H new ATOM 0 HD21 ASN A 779 4.989 7.067 9.213 1.00 0.00 H new ATOM 0 HD22 ASN A 779 4.510 5.411 9.597 1.00 0.00 H new ATOM 394 N GLU A 780 7.939 1.324 8.009 1.00 0.00 N ATOM 395 CA GLU A 780 8.793 0.204 8.379 1.00 0.00 C ATOM 396 C GLU A 780 10.021 0.170 7.486 1.00 0.00 C ATOM 397 O GLU A 780 11.154 0.146 7.965 1.00 0.00 O ATOM 398 CB GLU A 780 8.034 -1.115 8.233 1.00 0.00 C ATOM 399 CG GLU A 780 7.134 -1.436 9.410 1.00 0.00 C ATOM 400 CD GLU A 780 7.915 -1.913 10.610 1.00 0.00 C ATOM 401 OE1 GLU A 780 8.148 -3.133 10.719 1.00 0.00 O ATOM 402 OE2 GLU A 780 8.300 -1.068 11.447 1.00 0.00 O ATOM 0 H GLU A 780 6.995 1.055 7.732 1.00 0.00 H new ATOM 0 HA GLU A 780 9.097 0.333 9.418 1.00 0.00 H new ATOM 0 HB2 GLU A 780 7.431 -1.078 7.326 1.00 0.00 H new ATOM 0 HB3 GLU A 780 8.752 -1.925 8.105 1.00 0.00 H new ATOM 0 HG2 GLU A 780 6.562 -0.549 9.680 1.00 0.00 H new ATOM 0 HG3 GLU A 780 6.416 -2.202 9.118 1.00 0.00 H new ATOM 409 N LEU A 781 9.777 0.181 6.186 1.00 0.00 N ATOM 410 CA LEU A 781 10.841 0.115 5.202 1.00 0.00 C ATOM 411 C LEU A 781 11.748 1.336 5.290 1.00 0.00 C ATOM 412 O LEU A 781 12.967 1.203 5.312 1.00 0.00 O ATOM 413 CB LEU A 781 10.252 0.004 3.798 1.00 0.00 C ATOM 414 CG LEU A 781 11.270 0.070 2.663 1.00 0.00 C ATOM 415 CD1 LEU A 781 11.494 -1.310 2.070 1.00 0.00 C ATOM 416 CD2 LEU A 781 10.810 1.050 1.596 1.00 0.00 C ATOM 0 H LEU A 781 8.840 0.236 5.786 1.00 0.00 H new ATOM 0 HA LEU A 781 11.440 -0.771 5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 781 9.707 -0.937 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 781 9.525 0.805 3.661 1.00 0.00 H new ATOM 0 HG LEU A 781 12.219 0.425 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 781 12.223 -1.245 1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 781 11.868 -1.982 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 781 10.552 -1.695 1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 781 11.546 1.086 0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 781 9.850 0.726 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 781 10.703 2.042 2.035 1.00 0.00 H new ATOM 428 N LEU A 782 11.142 2.518 5.359 1.00 0.00 N ATOM 429 CA LEU A 782 11.888 3.775 5.374 1.00 0.00 C ATOM 430 C LEU A 782 12.913 3.810 6.505 1.00 0.00 C ATOM 431 O LEU A 782 14.112 3.965 6.262 1.00 0.00 O ATOM 432 CB LEU A 782 10.927 4.959 5.505 1.00 0.00 C ATOM 433 CG LEU A 782 10.642 5.712 4.203 1.00 0.00 C ATOM 434 CD1 LEU A 782 9.579 6.776 4.428 1.00 0.00 C ATOM 435 CD2 LEU A 782 11.917 6.336 3.656 1.00 0.00 C ATOM 0 H LEU A 782 10.130 2.633 5.406 1.00 0.00 H new ATOM 0 HA LEU A 782 12.428 3.848 4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 782 9.983 4.597 5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 782 11.338 5.662 6.230 1.00 0.00 H new ATOM 0 HG LEU A 782 10.267 5.000 3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 782 9.388 7.303 3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 782 8.659 6.304 4.774 1.00 0.00 H new ATOM 0 HD13 LEU A 782 9.927 7.485 5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 782 11.694 6.867 2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 782 12.322 7.036 4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 782 12.649 5.553 3.458 1.00 0.00 H new ATOM 447 N GLN A 783 12.439 3.642 7.738 1.00 0.00 N ATOM 448 CA GLN A 783 13.316 3.679 8.907 1.00 0.00 C ATOM 449 C GLN A 783 14.345 2.553 8.846 1.00 0.00 C ATOM 450 O GLN A 783 15.466 2.688 9.341 1.00 0.00 O ATOM 451 CB GLN A 783 12.491 3.584 10.199 1.00 0.00 C ATOM 452 CG GLN A 783 12.013 2.177 10.533 1.00 0.00 C ATOM 453 CD GLN A 783 11.007 2.151 11.665 1.00 0.00 C ATOM 454 OE1 GLN A 783 11.376 2.104 12.839 1.00 0.00 O ATOM 455 NE2 GLN A 783 9.731 2.187 11.322 1.00 0.00 N ATOM 0 H GLN A 783 11.455 3.479 7.953 1.00 0.00 H new ATOM 0 HA GLN A 783 13.850 4.629 8.905 1.00 0.00 H new ATOM 0 HB2 GLN A 783 13.091 3.958 11.028 1.00 0.00 H new ATOM 0 HB3 GLN A 783 11.624 4.239 10.112 1.00 0.00 H new ATOM 0 HG2 GLN A 783 11.565 1.730 9.645 1.00 0.00 H new ATOM 0 HG3 GLN A 783 12.871 1.561 10.802 1.00 0.00 H new ATOM 0 HE21 GLN A 783 9.469 2.226 10.337 1.00 0.00 H new ATOM 0 HE22 GLN A 783 9.009 2.176 12.042 1.00 0.00 H new ATOM 464 N HIS A 784 13.961 1.451 8.215 1.00 0.00 N ATOM 465 CA HIS A 784 14.830 0.294 8.092 1.00 0.00 C ATOM 466 C HIS A 784 15.944 0.553 7.070 1.00 0.00 C ATOM 467 O HIS A 784 17.102 0.229 7.316 1.00 0.00 O ATOM 468 CB HIS A 784 13.998 -0.948 7.711 1.00 0.00 C ATOM 469 CG HIS A 784 14.670 -1.880 6.749 1.00 0.00 C ATOM 470 ND1 HIS A 784 15.681 -2.733 7.116 1.00 0.00 N ATOM 471 CD2 HIS A 784 14.507 -2.044 5.416 1.00 0.00 C ATOM 472 CE1 HIS A 784 16.122 -3.374 6.055 1.00 0.00 C ATOM 473 NE2 HIS A 784 15.424 -2.977 5.009 1.00 0.00 N ATOM 0 H HIS A 784 13.046 1.337 7.778 1.00 0.00 H new ATOM 0 HA HIS A 784 15.308 0.108 9.054 1.00 0.00 H new ATOM 0 HB2 HIS A 784 13.755 -1.499 8.620 1.00 0.00 H new ATOM 0 HB3 HIS A 784 13.054 -0.617 7.277 1.00 0.00 H new ATOM 0 HD1 HIS A 784 16.036 -2.852 8.065 1.00 0.00 H new ATOM 0 HD2 HIS A 784 13.789 -1.535 4.790 1.00 0.00 H new ATOM 0 HE1 HIS A 784 16.920 -4.102 6.043 1.00 0.00 H new ATOM 482 N VAL A 785 15.587 1.137 5.931 1.00 0.00 N ATOM 483 CA VAL A 785 16.536 1.345 4.838 1.00 0.00 C ATOM 484 C VAL A 785 17.622 2.337 5.238 1.00 0.00 C ATOM 485 O VAL A 785 18.792 2.162 4.901 1.00 0.00 O ATOM 486 CB VAL A 785 15.821 1.837 3.555 1.00 0.00 C ATOM 487 CG1 VAL A 785 16.818 2.339 2.522 1.00 0.00 C ATOM 488 CG2 VAL A 785 14.967 0.729 2.961 1.00 0.00 C ATOM 0 H VAL A 785 14.645 1.476 5.738 1.00 0.00 H new ATOM 0 HA VAL A 785 17.000 0.382 4.626 1.00 0.00 H new ATOM 0 HB VAL A 785 15.176 2.670 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 785 16.283 2.677 1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 785 17.388 3.169 2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 785 17.498 1.532 2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 785 14.473 1.094 2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 785 15.599 -0.122 2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 785 14.216 0.420 3.687 1.00 0.00 H new ATOM 498 N LYS A 786 17.236 3.366 5.982 1.00 0.00 N ATOM 499 CA LYS A 786 18.181 4.389 6.414 1.00 0.00 C ATOM 500 C LYS A 786 19.276 3.792 7.301 1.00 0.00 C ATOM 501 O LYS A 786 20.417 4.259 7.288 1.00 0.00 O ATOM 502 CB LYS A 786 17.451 5.514 7.158 1.00 0.00 C ATOM 503 CG LYS A 786 16.454 6.275 6.291 1.00 0.00 C ATOM 504 CD LYS A 786 17.018 7.605 5.816 1.00 0.00 C ATOM 505 CE LYS A 786 16.406 8.777 6.570 1.00 0.00 C ATOM 506 NZ LYS A 786 15.791 9.778 5.652 1.00 0.00 N ATOM 0 H LYS A 786 16.278 3.515 6.298 1.00 0.00 H new ATOM 0 HA LYS A 786 18.654 4.804 5.524 1.00 0.00 H new ATOM 0 HB2 LYS A 786 16.926 5.090 8.014 1.00 0.00 H new ATOM 0 HB3 LYS A 786 18.187 6.215 7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 786 16.184 5.666 5.428 1.00 0.00 H new ATOM 0 HG3 LYS A 786 15.539 6.450 6.857 1.00 0.00 H new ATOM 0 HD2 LYS A 786 18.100 7.611 5.951 1.00 0.00 H new ATOM 0 HD3 LYS A 786 16.829 7.720 4.749 1.00 0.00 H new ATOM 0 HE2 LYS A 786 15.649 8.407 7.261 1.00 0.00 H new ATOM 0 HE3 LYS A 786 17.175 9.262 7.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 786 15.387 10.558 6.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 786 16.518 10.152 5.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 786 15.038 9.323 5.097 1.00 0.00 H new ATOM 520 N ALA A 787 18.933 2.748 8.052 1.00 0.00 N ATOM 521 CA ALA A 787 19.887 2.122 8.965 1.00 0.00 C ATOM 522 C ALA A 787 20.511 0.866 8.358 1.00 0.00 C ATOM 523 O ALA A 787 21.615 0.471 8.725 1.00 0.00 O ATOM 524 CB ALA A 787 19.207 1.789 10.283 1.00 0.00 C ATOM 0 H ALA A 787 18.007 2.320 8.047 1.00 0.00 H new ATOM 0 HA ALA A 787 20.692 2.835 9.145 1.00 0.00 H new ATOM 0 HB1 ALA A 787 19.927 1.323 10.956 1.00 0.00 H new ATOM 0 HB2 ALA A 787 18.825 2.704 10.737 1.00 0.00 H new ATOM 0 HB3 ALA A 787 18.381 1.101 10.103 1.00 0.00 H new ATOM 530 N HIS A 788 19.800 0.242 7.429 1.00 0.00 N ATOM 531 CA HIS A 788 20.286 -0.962 6.757 1.00 0.00 C ATOM 532 C HIS A 788 20.249 -0.747 5.258 1.00 0.00 C ATOM 533 O HIS A 788 19.263 -1.083 4.601 1.00 0.00 O ATOM 534 CB HIS A 788 19.435 -2.194 7.109 1.00 0.00 C ATOM 535 CG HIS A 788 19.228 -2.405 8.577 1.00 0.00 C ATOM 536 ND1 HIS A 788 19.847 -3.402 9.305 1.00 0.00 N ATOM 537 CD2 HIS A 788 18.446 -1.736 9.449 1.00 0.00 C ATOM 538 CE1 HIS A 788 19.449 -3.332 10.562 1.00 0.00 C ATOM 539 NE2 HIS A 788 18.601 -2.328 10.674 1.00 0.00 N ATOM 0 H HIS A 788 18.878 0.550 7.120 1.00 0.00 H new ATOM 0 HA HIS A 788 21.306 -1.146 7.094 1.00 0.00 H new ATOM 0 HB2 HIS A 788 18.462 -2.098 6.628 1.00 0.00 H new ATOM 0 HB3 HIS A 788 19.911 -3.081 6.691 1.00 0.00 H new ATOM 0 HD1 HIS A 788 20.507 -4.084 8.931 1.00 0.00 H new ATOM 0 HD2 HIS A 788 17.814 -0.890 9.223 1.00 0.00 H new ATOM 0 HE1 HIS A 788 19.764 -3.985 11.362 1.00 0.00 H new ATOM 548 N ALA A 789 21.317 -0.188 4.727 1.00 0.00 N ATOM 549 CA ALA A 789 21.350 0.206 3.333 1.00 0.00 C ATOM 550 C ALA A 789 22.324 -0.639 2.529 1.00 0.00 C ATOM 551 O ALA A 789 22.983 -1.532 3.064 1.00 0.00 O ATOM 552 CB ALA A 789 21.720 1.669 3.227 1.00 0.00 C ATOM 0 H ALA A 789 22.177 0.004 5.241 1.00 0.00 H new ATOM 0 HA ALA A 789 20.356 0.046 2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 789 21.744 1.963 2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 789 20.980 2.271 3.755 1.00 0.00 H new ATOM 0 HB3 ALA A 789 22.702 1.829 3.671 1.00 0.00 H new ATOM 558 N THR A 790 22.402 -0.346 1.242 1.00 0.00 N ATOM 559 CA THR A 790 23.305 -1.042 0.344 1.00 0.00 C ATOM 560 C THR A 790 24.174 -0.045 -0.418 1.00 0.00 C ATOM 561 O THR A 790 24.439 -0.204 -1.610 1.00 0.00 O ATOM 562 CB THR A 790 22.510 -1.901 -0.650 1.00 0.00 C ATOM 563 OG1 THR A 790 21.189 -1.365 -0.800 1.00 0.00 O ATOM 564 CG2 THR A 790 22.417 -3.334 -0.164 1.00 0.00 C ATOM 0 H THR A 790 21.843 0.379 0.792 1.00 0.00 H new ATOM 0 HA THR A 790 23.949 -1.689 0.940 1.00 0.00 H new ATOM 0 HB THR A 790 23.027 -1.888 -1.609 1.00 0.00 H new ATOM 0 HG1 THR A 790 21.153 -0.803 -1.602 1.00 0.00 H new ATOM 0 HG21 THR A 790 21.850 -3.926 -0.883 1.00 0.00 H new ATOM 0 HG22 THR A 790 23.420 -3.750 -0.063 1.00 0.00 H new ATOM 0 HG23 THR A 790 21.915 -3.358 0.803 1.00 0.00 H new ATOM 572 N GLY A 791 24.606 0.992 0.282 1.00 0.00 N ATOM 573 CA GLY A 791 25.414 2.022 -0.336 1.00 0.00 C ATOM 574 C GLY A 791 25.912 3.019 0.682 1.00 0.00 C ATOM 575 O GLY A 791 25.875 2.748 1.884 1.00 0.00 O ATOM 0 H GLY A 791 24.410 1.139 1.272 1.00 0.00 H new ATOM 0 HA2 GLY A 791 26.263 1.564 -0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 791 24.828 2.538 -1.096 1.00 0.00 H new ATOM 579 N ALA A 792 26.369 4.170 0.212 1.00 0.00 N ATOM 580 CA ALA A 792 26.869 5.210 1.098 1.00 0.00 C ATOM 581 C ALA A 792 25.725 5.856 1.871 1.00 0.00 C ATOM 582 O ALA A 792 25.869 6.205 3.043 1.00 0.00 O ATOM 583 CB ALA A 792 27.635 6.258 0.305 1.00 0.00 C ATOM 0 H ALA A 792 26.404 4.407 -0.779 1.00 0.00 H new ATOM 0 HA ALA A 792 27.549 4.752 1.816 1.00 0.00 H new ATOM 0 HB1 ALA A 792 28.003 7.029 0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 792 28.478 5.787 -0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 792 26.974 6.709 -0.435 1.00 0.00 H new ATOM 589 N GLY A 793 24.583 5.997 1.213 1.00 0.00 N ATOM 590 CA GLY A 793 23.434 6.610 1.844 1.00 0.00 C ATOM 591 C GLY A 793 22.379 5.588 2.213 1.00 0.00 C ATOM 592 O GLY A 793 22.711 4.488 2.655 1.00 0.00 O ATOM 0 H GLY A 793 24.432 5.696 0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 793 23.753 7.142 2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 793 23.002 7.350 1.171 1.00 0.00 H new ATOM 596 N PRO A 794 21.094 5.921 2.046 1.00 0.00 N ATOM 597 CA PRO A 794 19.991 5.016 2.331 1.00 0.00 C ATOM 598 C PRO A 794 19.654 4.130 1.133 1.00 0.00 C ATOM 599 O PRO A 794 18.567 4.234 0.565 1.00 0.00 O ATOM 600 CB PRO A 794 18.822 5.964 2.647 1.00 0.00 C ATOM 601 CG PRO A 794 19.296 7.350 2.315 1.00 0.00 C ATOM 602 CD PRO A 794 20.598 7.212 1.577 1.00 0.00 C ATOM 0 HA PRO A 794 20.224 4.326 3.142 1.00 0.00 H new ATOM 0 HB2 PRO A 794 17.942 5.704 2.059 1.00 0.00 H new ATOM 0 HB3 PRO A 794 18.537 5.892 3.697 1.00 0.00 H new ATOM 0 HG2 PRO A 794 18.560 7.871 1.702 1.00 0.00 H new ATOM 0 HG3 PRO A 794 19.429 7.938 3.223 1.00 0.00 H new ATOM 0 HD2 PRO A 794 20.455 7.223 0.497 1.00 0.00 H new ATOM 0 HD3 PRO A 794 21.287 8.022 1.816 1.00 0.00 H new ATOM 610 N ALA A 795 20.607 3.270 0.755 1.00 0.00 N ATOM 611 CA ALA A 795 20.432 2.344 -0.367 1.00 0.00 C ATOM 612 C ALA A 795 20.016 3.102 -1.620 1.00 0.00 C ATOM 613 O ALA A 795 19.017 2.773 -2.265 1.00 0.00 O ATOM 614 CB ALA A 795 19.411 1.268 -0.017 1.00 0.00 C ATOM 0 H ALA A 795 21.514 3.197 1.215 1.00 0.00 H new ATOM 0 HA ALA A 795 21.385 1.854 -0.566 1.00 0.00 H new ATOM 0 HB1 ALA A 795 19.294 0.589 -0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 795 19.755 0.709 0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 795 18.453 1.736 0.209 1.00 0.00 H new ATOM 620 N GLY A 796 20.798 4.114 -1.960 1.00 0.00 N ATOM 621 CA GLY A 796 20.388 5.048 -2.978 1.00 0.00 C ATOM 622 C GLY A 796 19.399 6.028 -2.398 1.00 0.00 C ATOM 623 O GLY A 796 19.754 6.820 -1.524 1.00 0.00 O ATOM 0 H GLY A 796 21.711 4.303 -1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 796 21.256 5.580 -3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 796 19.938 4.514 -3.815 1.00 0.00 H new ATOM 627 N ARG A 797 18.157 5.955 -2.862 1.00 0.00 N ATOM 628 CA ARG A 797 17.056 6.711 -2.275 1.00 0.00 C ATOM 629 C ARG A 797 15.769 6.447 -3.035 1.00 0.00 C ATOM 630 O ARG A 797 15.774 6.318 -4.258 1.00 0.00 O ATOM 631 CB ARG A 797 17.340 8.221 -2.248 1.00 0.00 C ATOM 632 CG ARG A 797 17.738 8.807 -3.593 1.00 0.00 C ATOM 633 CD ARG A 797 18.220 10.240 -3.447 1.00 0.00 C ATOM 634 NE ARG A 797 19.646 10.375 -3.736 1.00 0.00 N ATOM 635 CZ ARG A 797 20.608 10.334 -2.813 1.00 0.00 C ATOM 636 NH1 ARG A 797 20.307 10.194 -1.528 1.00 0.00 N ATOM 637 NH2 ARG A 797 21.875 10.449 -3.184 1.00 0.00 N ATOM 0 H ARG A 797 17.885 5.372 -3.653 1.00 0.00 H new ATOM 0 HA ARG A 797 16.949 6.373 -1.244 1.00 0.00 H new ATOM 0 HB2 ARG A 797 16.452 8.740 -1.888 1.00 0.00 H new ATOM 0 HB3 ARG A 797 18.136 8.416 -1.530 1.00 0.00 H new ATOM 0 HG2 ARG A 797 18.526 8.199 -4.039 1.00 0.00 H new ATOM 0 HG3 ARG A 797 16.887 8.774 -4.273 1.00 0.00 H new ATOM 0 HD2 ARG A 797 17.652 10.883 -4.120 1.00 0.00 H new ATOM 0 HD3 ARG A 797 18.022 10.586 -2.433 1.00 0.00 H new ATOM 0 HE ARG A 797 19.924 10.510 -4.708 1.00 0.00 H new ATOM 0 HH11 ARG A 797 19.332 10.117 -1.238 1.00 0.00 H new ATOM 0 HH12 ARG A 797 21.051 10.164 -0.830 1.00 0.00 H new ATOM 0 HH21 ARG A 797 22.109 10.568 -4.170 1.00 0.00 H new ATOM 0 HH22 ARG A 797 22.616 10.419 -2.484 1.00 0.00 H new ATOM 651 N TYR A 798 14.680 6.334 -2.297 1.00 0.00 N ATOM 652 CA TYR A 798 13.355 6.178 -2.882 1.00 0.00 C ATOM 653 C TYR A 798 12.411 7.157 -2.212 1.00 0.00 C ATOM 654 O TYR A 798 11.220 6.899 -2.074 1.00 0.00 O ATOM 655 CB TYR A 798 12.837 4.745 -2.709 1.00 0.00 C ATOM 656 CG TYR A 798 13.928 3.711 -2.565 1.00 0.00 C ATOM 657 CD1 TYR A 798 14.526 3.146 -3.683 1.00 0.00 C ATOM 658 CD2 TYR A 798 14.366 3.307 -1.312 1.00 0.00 C ATOM 659 CE1 TYR A 798 15.529 2.207 -3.556 1.00 0.00 C ATOM 660 CE2 TYR A 798 15.368 2.369 -1.177 1.00 0.00 C ATOM 661 CZ TYR A 798 15.947 1.822 -2.302 1.00 0.00 C ATOM 662 OH TYR A 798 16.945 0.887 -2.174 1.00 0.00 O ATOM 0 H TYR A 798 14.686 6.347 -1.277 1.00 0.00 H new ATOM 0 HA TYR A 798 13.412 6.381 -3.951 1.00 0.00 H new ATOM 0 HB2 TYR A 798 12.195 4.705 -1.829 1.00 0.00 H new ATOM 0 HB3 TYR A 798 12.217 4.487 -3.568 1.00 0.00 H new ATOM 0 HD1 TYR A 798 14.201 3.446 -4.668 1.00 0.00 H new ATOM 0 HD2 TYR A 798 13.915 3.734 -0.428 1.00 0.00 H new ATOM 0 HE1 TYR A 798 15.984 1.776 -4.436 1.00 0.00 H new ATOM 0 HE2 TYR A 798 15.697 2.065 -0.195 1.00 0.00 H new ATOM 0 HH TYR A 798 17.817 1.332 -2.213 1.00 0.00 H new ATOM 672 N ASP A 799 12.979 8.291 -1.816 1.00 0.00 N ATOM 673 CA ASP A 799 12.282 9.296 -1.023 1.00 0.00 C ATOM 674 C ASP A 799 11.023 9.793 -1.722 1.00 0.00 C ATOM 675 O ASP A 799 9.959 9.902 -1.111 1.00 0.00 O ATOM 676 CB ASP A 799 13.219 10.473 -0.747 1.00 0.00 C ATOM 677 CG ASP A 799 12.524 11.613 -0.035 1.00 0.00 C ATOM 678 OD1 ASP A 799 11.980 11.383 1.063 1.00 0.00 O ATOM 679 OD2 ASP A 799 12.525 12.742 -0.570 1.00 0.00 O ATOM 0 H ASP A 799 13.943 8.540 -2.038 1.00 0.00 H new ATOM 0 HA ASP A 799 11.980 8.832 -0.084 1.00 0.00 H new ATOM 0 HB2 ASP A 799 14.059 10.130 -0.143 1.00 0.00 H new ATOM 0 HB3 ASP A 799 13.630 10.834 -1.690 1.00 0.00 H new ATOM 684 N GLN A 800 11.147 10.089 -3.005 1.00 0.00 N ATOM 685 CA GLN A 800 10.018 10.570 -3.782 1.00 0.00 C ATOM 686 C GLN A 800 8.976 9.471 -3.937 1.00 0.00 C ATOM 687 O GLN A 800 7.777 9.734 -3.883 1.00 0.00 O ATOM 688 CB GLN A 800 10.485 11.053 -5.155 1.00 0.00 C ATOM 689 CG GLN A 800 9.556 12.072 -5.799 1.00 0.00 C ATOM 690 CD GLN A 800 9.330 11.802 -7.274 1.00 0.00 C ATOM 691 OE1 GLN A 800 8.197 11.817 -7.754 1.00 0.00 O ATOM 692 NE2 GLN A 800 10.406 11.567 -8.007 1.00 0.00 N ATOM 0 H GLN A 800 12.018 10.005 -3.530 1.00 0.00 H new ATOM 0 HA GLN A 800 9.565 11.408 -3.253 1.00 0.00 H new ATOM 0 HB2 GLN A 800 11.478 11.492 -5.056 1.00 0.00 H new ATOM 0 HB3 GLN A 800 10.581 10.193 -5.818 1.00 0.00 H new ATOM 0 HG2 GLN A 800 8.597 12.063 -5.280 1.00 0.00 H new ATOM 0 HG3 GLN A 800 9.976 13.070 -5.676 1.00 0.00 H new ATOM 0 HE21 GLN A 800 11.329 11.563 -7.572 1.00 0.00 H new ATOM 0 HE22 GLN A 800 10.313 11.390 -9.007 1.00 0.00 H new ATOM 701 N ALA A 801 9.448 8.239 -4.103 1.00 0.00 N ATOM 702 CA ALA A 801 8.568 7.094 -4.298 1.00 0.00 C ATOM 703 C ALA A 801 7.761 6.798 -3.040 1.00 0.00 C ATOM 704 O ALA A 801 6.544 6.606 -3.106 1.00 0.00 O ATOM 705 CB ALA A 801 9.374 5.872 -4.715 1.00 0.00 C ATOM 0 H ALA A 801 10.442 8.009 -4.106 1.00 0.00 H new ATOM 0 HA ALA A 801 7.866 7.340 -5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 801 8.703 5.025 -4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 801 9.896 6.082 -5.649 1.00 0.00 H new ATOM 0 HB3 ALA A 801 10.101 5.633 -3.939 1.00 0.00 H new ATOM 711 N THR A 802 8.435 6.770 -1.892 1.00 0.00 N ATOM 712 CA THR A 802 7.765 6.528 -0.623 1.00 0.00 C ATOM 713 C THR A 802 6.746 7.626 -0.353 1.00 0.00 C ATOM 714 O THR A 802 5.656 7.374 0.166 1.00 0.00 O ATOM 715 CB THR A 802 8.771 6.465 0.544 1.00 0.00 C ATOM 716 OG1 THR A 802 9.854 7.374 0.311 1.00 0.00 O ATOM 717 CG2 THR A 802 9.322 5.056 0.706 1.00 0.00 C ATOM 0 H THR A 802 9.442 6.912 -1.818 1.00 0.00 H new ATOM 0 HA THR A 802 7.261 5.564 -0.694 1.00 0.00 H new ATOM 0 HB THR A 802 8.248 6.747 1.458 1.00 0.00 H new ATOM 0 HG1 THR A 802 9.517 8.174 -0.144 1.00 0.00 H new ATOM 0 HG21 THR A 802 10.030 5.035 1.535 1.00 0.00 H new ATOM 0 HG22 THR A 802 8.503 4.366 0.910 1.00 0.00 H new ATOM 0 HG23 THR A 802 9.829 4.756 -0.211 1.00 0.00 H new ATOM 725 N ASP A 803 7.112 8.841 -0.736 1.00 0.00 N ATOM 726 CA ASP A 803 6.234 9.992 -0.602 1.00 0.00 C ATOM 727 C ASP A 803 4.968 9.803 -1.432 1.00 0.00 C ATOM 728 O ASP A 803 3.862 10.016 -0.939 1.00 0.00 O ATOM 729 CB ASP A 803 6.961 11.262 -1.041 1.00 0.00 C ATOM 730 CG ASP A 803 6.071 12.485 -1.004 1.00 0.00 C ATOM 731 OD1 ASP A 803 5.501 12.791 0.064 1.00 0.00 O ATOM 732 OD2 ASP A 803 5.949 13.159 -2.047 1.00 0.00 O ATOM 0 H ASP A 803 8.021 9.055 -1.146 1.00 0.00 H new ATOM 0 HA ASP A 803 5.950 10.088 0.446 1.00 0.00 H new ATOM 0 HB2 ASP A 803 7.823 11.425 -0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 803 7.343 11.126 -2.053 1.00 0.00 H new ATOM 737 N THR A 804 5.134 9.361 -2.679 1.00 0.00 N ATOM 738 CA THR A 804 4.004 9.161 -3.582 1.00 0.00 C ATOM 739 C THR A 804 3.014 8.155 -3.004 1.00 0.00 C ATOM 740 O THR A 804 1.806 8.393 -3.006 1.00 0.00 O ATOM 741 CB THR A 804 4.469 8.671 -4.970 1.00 0.00 C ATOM 742 OG1 THR A 804 5.559 9.474 -5.437 1.00 0.00 O ATOM 743 CG2 THR A 804 3.331 8.728 -5.981 1.00 0.00 C ATOM 0 H THR A 804 6.042 9.135 -3.086 1.00 0.00 H new ATOM 0 HA THR A 804 3.514 10.128 -3.695 1.00 0.00 H new ATOM 0 HB THR A 804 4.794 7.636 -4.868 1.00 0.00 H new ATOM 0 HG1 THR A 804 6.335 9.345 -4.852 1.00 0.00 H new ATOM 0 HG21 THR A 804 3.687 8.377 -6.950 1.00 0.00 H new ATOM 0 HG22 THR A 804 2.512 8.093 -5.643 1.00 0.00 H new ATOM 0 HG23 THR A 804 2.978 9.755 -6.074 1.00 0.00 H new ATOM 751 N ILE A 805 3.530 7.043 -2.491 1.00 0.00 N ATOM 752 CA ILE A 805 2.683 6.033 -1.872 1.00 0.00 C ATOM 753 C ILE A 805 1.940 6.625 -0.684 1.00 0.00 C ATOM 754 O ILE A 805 0.725 6.469 -0.564 1.00 0.00 O ATOM 755 CB ILE A 805 3.500 4.803 -1.413 1.00 0.00 C ATOM 756 CG1 ILE A 805 3.782 3.895 -2.602 1.00 0.00 C ATOM 757 CG2 ILE A 805 2.772 4.027 -0.321 1.00 0.00 C ATOM 758 CD1 ILE A 805 5.252 3.697 -2.856 1.00 0.00 C ATOM 0 H ILE A 805 4.525 6.820 -2.492 1.00 0.00 H new ATOM 0 HA ILE A 805 1.967 5.702 -2.624 1.00 0.00 H new ATOM 0 HB ILE A 805 4.443 5.159 -0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 805 3.315 2.925 -2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 805 3.319 4.318 -3.493 1.00 0.00 H new ATOM 0 HG21 ILE A 805 3.374 3.169 -0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.611 4.675 0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.810 3.681 -0.700 1.00 0.00 H new ATOM 0 HD11 ILE A 805 5.388 3.041 -3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 805 5.719 4.661 -3.058 1.00 0.00 H new ATOM 0 HD13 ILE A 805 5.715 3.246 -1.979 1.00 0.00 H new ATOM 770 N LEU A 806 2.670 7.319 0.182 1.00 0.00 N ATOM 771 CA LEU A 806 2.063 7.937 1.353 1.00 0.00 C ATOM 772 C LEU A 806 0.965 8.908 0.946 1.00 0.00 C ATOM 773 O LEU A 806 -0.122 8.873 1.510 1.00 0.00 O ATOM 774 CB LEU A 806 3.102 8.654 2.210 1.00 0.00 C ATOM 775 CG LEU A 806 3.526 7.899 3.473 1.00 0.00 C ATOM 776 CD1 LEU A 806 4.391 8.774 4.363 1.00 0.00 C ATOM 777 CD2 LEU A 806 2.305 7.409 4.238 1.00 0.00 C ATOM 0 H LEU A 806 3.676 7.467 0.096 1.00 0.00 H new ATOM 0 HA LEU A 806 1.623 7.137 1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 806 3.987 8.842 1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 806 2.704 9.626 2.501 1.00 0.00 H new ATOM 0 HG LEU A 806 4.115 7.034 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 806 4.679 8.215 5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 806 5.286 9.075 3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 806 3.830 9.661 4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 806 2.626 6.875 5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.690 8.261 4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 806 1.723 6.739 3.605 1.00 0.00 H new ATOM 789 N THR A 807 1.243 9.755 -0.042 1.00 0.00 N ATOM 790 CA THR A 807 0.242 10.691 -0.542 1.00 0.00 C ATOM 791 C THR A 807 -0.997 9.946 -1.037 1.00 0.00 C ATOM 792 O THR A 807 -2.119 10.282 -0.669 1.00 0.00 O ATOM 793 CB THR A 807 0.791 11.557 -1.695 1.00 0.00 C ATOM 794 OG1 THR A 807 2.088 12.067 -1.364 1.00 0.00 O ATOM 795 CG2 THR A 807 -0.147 12.715 -1.997 1.00 0.00 C ATOM 0 H THR A 807 2.148 9.812 -0.509 1.00 0.00 H new ATOM 0 HA THR A 807 -0.023 11.341 0.292 1.00 0.00 H new ATOM 0 HB THR A 807 0.867 10.925 -2.580 1.00 0.00 H new ATOM 0 HG1 THR A 807 2.739 11.335 -1.371 1.00 0.00 H new ATOM 0 HG21 THR A 807 0.262 13.311 -2.813 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.124 12.326 -2.285 1.00 0.00 H new ATOM 0 HG23 THR A 807 -0.252 13.339 -1.110 1.00 0.00 H new ATOM 803 N VAL A 808 -0.779 8.918 -1.847 1.00 0.00 N ATOM 804 CA VAL A 808 -1.872 8.147 -2.425 1.00 0.00 C ATOM 805 C VAL A 808 -2.704 7.459 -1.341 1.00 0.00 C ATOM 806 O VAL A 808 -3.920 7.628 -1.285 1.00 0.00 O ATOM 807 CB VAL A 808 -1.341 7.097 -3.423 1.00 0.00 C ATOM 808 CG1 VAL A 808 -2.379 6.021 -3.694 1.00 0.00 C ATOM 809 CG2 VAL A 808 -0.915 7.767 -4.720 1.00 0.00 C ATOM 0 H VAL A 808 0.150 8.598 -2.120 1.00 0.00 H new ATOM 0 HA VAL A 808 -2.514 8.848 -2.959 1.00 0.00 H new ATOM 0 HB VAL A 808 -0.471 6.616 -2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -1.975 5.296 -4.401 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -2.632 5.517 -2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -3.275 6.478 -4.114 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -0.543 7.013 -5.414 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -1.770 8.278 -5.163 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -0.127 8.491 -4.514 1.00 0.00 H new ATOM 819 N THR A 809 -2.043 6.697 -0.474 1.00 0.00 N ATOM 820 CA THR A 809 -2.736 5.986 0.596 1.00 0.00 C ATOM 821 C THR A 809 -3.442 6.965 1.531 1.00 0.00 C ATOM 822 O THR A 809 -4.548 6.703 2.004 1.00 0.00 O ATOM 823 CB THR A 809 -1.771 5.104 1.410 1.00 0.00 C ATOM 824 OG1 THR A 809 -0.735 4.594 0.561 1.00 0.00 O ATOM 825 CG2 THR A 809 -2.514 3.941 2.047 1.00 0.00 C ATOM 0 H THR A 809 -1.033 6.556 -0.491 1.00 0.00 H new ATOM 0 HA THR A 809 -3.477 5.342 0.123 1.00 0.00 H new ATOM 0 HB THR A 809 -1.331 5.718 2.196 1.00 0.00 H new ATOM 0 HG1 THR A 809 -0.012 5.252 0.496 1.00 0.00 H new ATOM 0 HG21 THR A 809 -1.814 3.331 2.617 1.00 0.00 H new ATOM 0 HG22 THR A 809 -3.287 4.324 2.713 1.00 0.00 H new ATOM 0 HG23 THR A 809 -2.974 3.333 1.268 1.00 0.00 H new ATOM 833 N GLU A 810 -2.802 8.102 1.770 1.00 0.00 N ATOM 834 CA GLU A 810 -3.368 9.142 2.611 1.00 0.00 C ATOM 835 C GLU A 810 -4.580 9.778 1.925 1.00 0.00 C ATOM 836 O GLU A 810 -5.555 10.148 2.580 1.00 0.00 O ATOM 837 CB GLU A 810 -2.292 10.187 2.930 1.00 0.00 C ATOM 838 CG GLU A 810 -2.774 11.341 3.789 1.00 0.00 C ATOM 839 CD GLU A 810 -1.706 11.814 4.749 1.00 0.00 C ATOM 840 OE1 GLU A 810 -1.134 10.971 5.472 1.00 0.00 O ATOM 841 OE2 GLU A 810 -1.417 13.024 4.776 1.00 0.00 O ATOM 0 H GLU A 810 -1.883 8.326 1.388 1.00 0.00 H new ATOM 0 HA GLU A 810 -3.711 8.706 3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -1.463 9.694 3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -1.901 10.585 1.994 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -3.078 12.168 3.148 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -3.656 11.032 4.350 1.00 0.00 H new ATOM 848 N ASN A 811 -4.522 9.867 0.597 1.00 0.00 N ATOM 849 CA ASN A 811 -5.627 10.407 -0.196 1.00 0.00 C ATOM 850 C ASN A 811 -6.863 9.529 -0.067 1.00 0.00 C ATOM 851 O ASN A 811 -7.988 10.014 -0.148 1.00 0.00 O ATOM 852 CB ASN A 811 -5.249 10.503 -1.679 1.00 0.00 C ATOM 853 CG ASN A 811 -4.465 11.755 -2.023 1.00 0.00 C ATOM 854 OD1 ASN A 811 -4.424 12.718 -1.253 1.00 0.00 O ATOM 855 ND2 ASN A 811 -3.840 11.748 -3.193 1.00 0.00 N ATOM 0 H ASN A 811 -3.717 9.571 0.045 1.00 0.00 H new ATOM 0 HA ASN A 811 -5.841 11.404 0.188 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -4.660 9.628 -1.953 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -6.158 10.476 -2.280 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -3.299 12.561 -3.487 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -3.901 10.930 -3.799 1.00 0.00 H new ATOM 862 N ILE A 812 -6.652 8.233 0.125 1.00 0.00 N ATOM 863 CA ILE A 812 -7.758 7.292 0.243 1.00 0.00 C ATOM 864 C ILE A 812 -8.515 7.513 1.553 1.00 0.00 C ATOM 865 O ILE A 812 -9.709 7.240 1.643 1.00 0.00 O ATOM 866 CB ILE A 812 -7.274 5.821 0.138 1.00 0.00 C ATOM 867 CG1 ILE A 812 -6.834 5.511 -1.294 1.00 0.00 C ATOM 868 CG2 ILE A 812 -8.360 4.841 0.572 1.00 0.00 C ATOM 869 CD1 ILE A 812 -5.492 4.818 -1.384 1.00 0.00 C ATOM 0 H ILE A 812 -5.727 7.810 0.202 1.00 0.00 H new ATOM 0 HA ILE A 812 -8.436 7.477 -0.590 1.00 0.00 H new ATOM 0 HB ILE A 812 -6.425 5.702 0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -7.589 4.884 -1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -6.791 6.441 -1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -7.985 3.821 0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -8.636 5.039 1.608 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -9.235 4.962 -0.066 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -5.248 4.631 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -4.725 5.452 -0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -5.535 3.871 -0.847 1.00 0.00 H new ATOM 881 N PHE A 813 -7.831 8.037 2.562 1.00 0.00 N ATOM 882 CA PHE A 813 -8.482 8.357 3.826 1.00 0.00 C ATOM 883 C PHE A 813 -9.409 9.554 3.643 1.00 0.00 C ATOM 884 O PHE A 813 -10.477 9.635 4.256 1.00 0.00 O ATOM 885 CB PHE A 813 -7.445 8.648 4.912 1.00 0.00 C ATOM 886 CG PHE A 813 -6.763 7.413 5.427 1.00 0.00 C ATOM 887 CD1 PHE A 813 -7.466 6.473 6.163 1.00 0.00 C ATOM 888 CD2 PHE A 813 -5.423 7.190 5.168 1.00 0.00 C ATOM 889 CE1 PHE A 813 -6.842 5.333 6.631 1.00 0.00 C ATOM 890 CE2 PHE A 813 -4.792 6.053 5.633 1.00 0.00 C ATOM 891 CZ PHE A 813 -5.503 5.123 6.365 1.00 0.00 C ATOM 0 H PHE A 813 -6.834 8.248 2.531 1.00 0.00 H new ATOM 0 HA PHE A 813 -9.071 7.496 4.142 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -6.694 9.331 4.514 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -7.932 9.159 5.742 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -8.513 6.633 6.373 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -4.863 7.914 4.595 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -7.400 4.607 7.204 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -3.745 5.892 5.425 1.00 0.00 H new ATOM 0 HZ PHE A 813 -5.013 4.232 6.729 1.00 0.00 H new ATOM 901 N SER A 814 -8.996 10.471 2.780 1.00 0.00 N ATOM 902 CA SER A 814 -9.797 11.640 2.458 1.00 0.00 C ATOM 903 C SER A 814 -10.909 11.283 1.469 1.00 0.00 C ATOM 904 O SER A 814 -11.995 11.859 1.509 1.00 0.00 O ATOM 905 CB SER A 814 -8.896 12.726 1.870 1.00 0.00 C ATOM 906 OG SER A 814 -7.525 12.385 2.024 1.00 0.00 O ATOM 0 H SER A 814 -8.104 10.426 2.288 1.00 0.00 H new ATOM 0 HA SER A 814 -10.264 12.009 3.371 1.00 0.00 H new ATOM 0 HB2 SER A 814 -9.125 12.861 0.813 1.00 0.00 H new ATOM 0 HB3 SER A 814 -9.096 13.677 2.364 1.00 0.00 H new ATOM 0 HG SER A 814 -6.967 13.093 1.639 1.00 0.00 H new ATOM 912 N SER A 815 -10.637 10.321 0.593 1.00 0.00 N ATOM 913 CA SER A 815 -11.586 9.937 -0.447 1.00 0.00 C ATOM 914 C SER A 815 -12.509 8.815 0.022 1.00 0.00 C ATOM 915 O SER A 815 -13.458 8.458 -0.677 1.00 0.00 O ATOM 916 CB SER A 815 -10.831 9.499 -1.706 1.00 0.00 C ATOM 917 OG SER A 815 -9.908 8.467 -1.419 1.00 0.00 O ATOM 0 H SER A 815 -9.765 9.792 0.583 1.00 0.00 H new ATOM 0 HA SER A 815 -12.204 10.806 -0.674 1.00 0.00 H new ATOM 0 HB2 SER A 815 -11.542 9.155 -2.458 1.00 0.00 H new ATOM 0 HB3 SER A 815 -10.304 10.353 -2.132 1.00 0.00 H new ATOM 0 HG SER A 815 -9.074 8.858 -1.084 1.00 0.00 H new ATOM 923 N MET A 816 -12.223 8.266 1.200 1.00 0.00 N ATOM 924 CA MET A 816 -12.993 7.152 1.748 1.00 0.00 C ATOM 925 C MET A 816 -14.480 7.476 1.775 1.00 0.00 C ATOM 926 O MET A 816 -14.924 8.381 2.485 1.00 0.00 O ATOM 927 CB MET A 816 -12.507 6.797 3.154 1.00 0.00 C ATOM 928 CG MET A 816 -12.244 5.312 3.344 1.00 0.00 C ATOM 929 SD MET A 816 -11.555 4.928 4.963 1.00 0.00 S ATOM 930 CE MET A 816 -10.005 4.163 4.496 1.00 0.00 C ATOM 0 H MET A 816 -11.457 8.578 1.798 1.00 0.00 H new ATOM 0 HA MET A 816 -12.840 6.291 1.097 1.00 0.00 H new ATOM 0 HB2 MET A 816 -11.592 7.351 3.365 1.00 0.00 H new ATOM 0 HB3 MET A 816 -13.251 7.123 3.881 1.00 0.00 H new ATOM 0 HG2 MET A 816 -13.176 4.763 3.211 1.00 0.00 H new ATOM 0 HG3 MET A 816 -11.557 4.967 2.571 1.00 0.00 H new ATOM 0 HE1 MET A 816 -9.247 4.391 5.245 1.00 0.00 H new ATOM 0 HE2 MET A 816 -10.137 3.083 4.431 1.00 0.00 H new ATOM 0 HE3 MET A 816 -9.686 4.549 3.528 1.00 0.00 H new ATOM 940 N GLY A 817 -15.235 6.731 0.985 1.00 0.00 N ATOM 941 CA GLY A 817 -16.650 6.990 0.837 1.00 0.00 C ATOM 942 C GLY A 817 -17.010 7.219 -0.613 1.00 0.00 C ATOM 943 O GLY A 817 -18.150 7.009 -1.024 1.00 0.00 O ATOM 0 H GLY A 817 -14.888 5.943 0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -17.220 6.148 1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -16.927 7.864 1.427 1.00 0.00 H new ATOM 947 N ASP A 818 -16.025 7.656 -1.386 1.00 0.00 N ATOM 948 CA ASP A 818 -16.188 7.832 -2.820 1.00 0.00 C ATOM 949 C ASP A 818 -15.421 6.746 -3.556 1.00 0.00 C ATOM 950 O ASP A 818 -14.204 6.843 -3.735 1.00 0.00 O ATOM 951 CB ASP A 818 -15.699 9.211 -3.267 1.00 0.00 C ATOM 952 CG ASP A 818 -15.950 9.463 -4.742 1.00 0.00 C ATOM 953 OD1 ASP A 818 -17.127 9.590 -5.135 1.00 0.00 O ATOM 954 OD2 ASP A 818 -14.972 9.548 -5.513 1.00 0.00 O ATOM 0 H ASP A 818 -15.097 7.897 -1.038 1.00 0.00 H new ATOM 0 HA ASP A 818 -17.249 7.758 -3.058 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -16.201 9.980 -2.679 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -14.632 9.299 -3.062 1.00 0.00 H new ATOM 959 N ALA A 819 -16.143 5.712 -3.961 1.00 0.00 N ATOM 960 CA ALA A 819 -15.557 4.550 -4.617 1.00 0.00 C ATOM 961 C ALA A 819 -14.711 4.942 -5.823 1.00 0.00 C ATOM 962 O ALA A 819 -13.610 4.423 -6.012 1.00 0.00 O ATOM 963 CB ALA A 819 -16.659 3.599 -5.046 1.00 0.00 C ATOM 0 H ALA A 819 -17.155 5.654 -3.844 1.00 0.00 H new ATOM 0 HA ALA A 819 -14.899 4.059 -3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -16.220 2.730 -5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -17.222 3.275 -4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -17.329 4.107 -5.740 1.00 0.00 H new ATOM 969 N GLY A 820 -15.232 5.862 -6.628 1.00 0.00 N ATOM 970 CA GLY A 820 -14.547 6.274 -7.838 1.00 0.00 C ATOM 971 C GLY A 820 -13.141 6.793 -7.587 1.00 0.00 C ATOM 972 O GLY A 820 -12.189 6.352 -8.234 1.00 0.00 O ATOM 0 H GLY A 820 -16.122 6.332 -6.462 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -14.497 5.429 -8.525 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -15.131 7.051 -8.331 1.00 0.00 H new ATOM 976 N GLU A 821 -13.003 7.728 -6.654 1.00 0.00 N ATOM 977 CA GLU A 821 -11.698 8.300 -6.343 1.00 0.00 C ATOM 978 C GLU A 821 -10.817 7.286 -5.626 1.00 0.00 C ATOM 979 O GLU A 821 -9.621 7.187 -5.902 1.00 0.00 O ATOM 980 CB GLU A 821 -11.847 9.560 -5.488 1.00 0.00 C ATOM 981 CG GLU A 821 -10.690 10.537 -5.632 1.00 0.00 C ATOM 982 CD GLU A 821 -10.183 10.644 -7.057 1.00 0.00 C ATOM 983 OE1 GLU A 821 -11.005 10.843 -7.978 1.00 0.00 O ATOM 984 OE2 GLU A 821 -8.957 10.536 -7.269 1.00 0.00 O ATOM 0 H GLU A 821 -13.774 8.105 -6.102 1.00 0.00 H new ATOM 0 HA GLU A 821 -11.221 8.571 -7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -12.774 10.065 -5.760 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -11.938 9.270 -4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -11.008 11.522 -5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -9.872 10.223 -4.983 1.00 0.00 H new ATOM 991 N MET A 822 -11.420 6.526 -4.720 1.00 0.00 N ATOM 992 CA MET A 822 -10.694 5.516 -3.958 1.00 0.00 C ATOM 993 C MET A 822 -10.028 4.508 -4.891 1.00 0.00 C ATOM 994 O MET A 822 -8.864 4.151 -4.705 1.00 0.00 O ATOM 995 CB MET A 822 -11.638 4.795 -2.997 1.00 0.00 C ATOM 996 CG MET A 822 -11.730 5.447 -1.627 1.00 0.00 C ATOM 997 SD MET A 822 -13.042 4.744 -0.607 1.00 0.00 S ATOM 998 CE MET A 822 -12.804 2.998 -0.918 1.00 0.00 C ATOM 0 H MET A 822 -12.413 6.590 -4.494 1.00 0.00 H new ATOM 0 HA MET A 822 -9.918 6.019 -3.381 1.00 0.00 H new ATOM 0 HB2 MET A 822 -12.633 4.757 -3.439 1.00 0.00 H new ATOM 0 HB3 MET A 822 -11.303 3.765 -2.878 1.00 0.00 H new ATOM 0 HG2 MET A 822 -10.776 5.336 -1.112 1.00 0.00 H new ATOM 0 HG3 MET A 822 -11.904 6.516 -1.749 1.00 0.00 H new ATOM 0 HE1 MET A 822 -13.333 2.418 -0.161 1.00 0.00 H new ATOM 0 HE2 MET A 822 -13.194 2.748 -1.905 1.00 0.00 H new ATOM 0 HE3 MET A 822 -11.740 2.763 -0.878 1.00 0.00 H new ATOM 1008 N VAL A 823 -10.769 4.064 -5.901 1.00 0.00 N ATOM 1009 CA VAL A 823 -10.242 3.130 -6.888 1.00 0.00 C ATOM 1010 C VAL A 823 -9.113 3.771 -7.693 1.00 0.00 C ATOM 1011 O VAL A 823 -8.095 3.134 -7.969 1.00 0.00 O ATOM 1012 CB VAL A 823 -11.353 2.635 -7.845 1.00 0.00 C ATOM 1013 CG1 VAL A 823 -10.769 1.972 -9.084 1.00 0.00 C ATOM 1014 CG2 VAL A 823 -12.282 1.675 -7.124 1.00 0.00 C ATOM 0 H VAL A 823 -11.739 4.337 -6.057 1.00 0.00 H new ATOM 0 HA VAL A 823 -9.847 2.271 -6.345 1.00 0.00 H new ATOM 0 HB VAL A 823 -11.923 3.506 -8.170 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -11.578 1.637 -9.733 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -10.146 2.688 -9.621 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -10.164 1.116 -8.787 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -13.058 1.336 -7.810 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -11.713 0.817 -6.767 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -12.743 2.182 -6.277 1.00 0.00 H new ATOM 1024 N ARG A 824 -9.292 5.039 -8.051 1.00 0.00 N ATOM 1025 CA ARG A 824 -8.286 5.770 -8.812 1.00 0.00 C ATOM 1026 C ARG A 824 -6.960 5.799 -8.064 1.00 0.00 C ATOM 1027 O ARG A 824 -5.920 5.436 -8.616 1.00 0.00 O ATOM 1028 CB ARG A 824 -8.752 7.197 -9.096 1.00 0.00 C ATOM 1029 CG ARG A 824 -7.951 7.892 -10.185 1.00 0.00 C ATOM 1030 CD ARG A 824 -7.402 9.228 -9.711 1.00 0.00 C ATOM 1031 NE ARG A 824 -7.356 10.209 -10.794 1.00 0.00 N ATOM 1032 CZ ARG A 824 -8.185 11.245 -10.902 1.00 0.00 C ATOM 1033 NH1 ARG A 824 -9.093 11.482 -9.966 1.00 0.00 N ATOM 1034 NH2 ARG A 824 -8.089 12.051 -11.946 1.00 0.00 N ATOM 0 H ARG A 824 -10.126 5.582 -7.826 1.00 0.00 H new ATOM 0 HA ARG A 824 -8.144 5.252 -9.761 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -9.803 7.177 -9.386 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -8.686 7.782 -8.178 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -7.127 7.250 -10.497 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -8.583 8.047 -11.059 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -8.023 9.610 -8.901 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -6.400 9.086 -9.305 1.00 0.00 H new ATOM 0 HE ARG A 824 -6.642 10.092 -11.513 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -9.161 10.868 -9.154 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -9.724 12.278 -10.057 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -7.383 11.877 -12.662 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -8.721 12.847 -12.036 1.00 0.00 H new ATOM 1048 N GLN A 825 -7.007 6.214 -6.805 1.00 0.00 N ATOM 1049 CA GLN A 825 -5.812 6.279 -5.980 1.00 0.00 C ATOM 1050 C GLN A 825 -5.218 4.889 -5.784 1.00 0.00 C ATOM 1051 O GLN A 825 -4.005 4.709 -5.865 1.00 0.00 O ATOM 1052 CB GLN A 825 -6.130 6.917 -4.629 1.00 0.00 C ATOM 1053 CG GLN A 825 -6.825 8.262 -4.747 1.00 0.00 C ATOM 1054 CD GLN A 825 -5.897 9.368 -5.210 1.00 0.00 C ATOM 1055 OE1 GLN A 825 -4.744 9.448 -4.787 1.00 0.00 O ATOM 1056 NE2 GLN A 825 -6.395 10.229 -6.082 1.00 0.00 N ATOM 0 H GLN A 825 -7.862 6.511 -6.334 1.00 0.00 H new ATOM 0 HA GLN A 825 -5.076 6.899 -6.492 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -6.761 6.239 -4.055 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -5.204 7.043 -4.068 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -7.656 8.175 -5.447 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -7.249 8.532 -3.780 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -7.356 10.127 -6.407 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -5.818 10.995 -6.429 1.00 0.00 H new ATOM 1065 N ALA A 826 -6.081 3.905 -5.557 1.00 0.00 N ATOM 1066 CA ALA A 826 -5.641 2.525 -5.380 1.00 0.00 C ATOM 1067 C ALA A 826 -4.841 2.043 -6.590 1.00 0.00 C ATOM 1068 O ALA A 826 -3.861 1.308 -6.448 1.00 0.00 O ATOM 1069 CB ALA A 826 -6.837 1.616 -5.133 1.00 0.00 C ATOM 0 H ALA A 826 -7.090 4.037 -5.491 1.00 0.00 H new ATOM 0 HA ALA A 826 -4.987 2.486 -4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -6.493 0.590 -5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -7.361 1.940 -4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -7.514 1.666 -5.985 1.00 0.00 H new ATOM 1075 N ARG A 827 -5.254 2.474 -7.779 1.00 0.00 N ATOM 1076 CA ARG A 827 -4.552 2.123 -9.010 1.00 0.00 C ATOM 1077 C ARG A 827 -3.143 2.713 -9.010 1.00 0.00 C ATOM 1078 O ARG A 827 -2.176 2.045 -9.379 1.00 0.00 O ATOM 1079 CB ARG A 827 -5.318 2.634 -10.231 1.00 0.00 C ATOM 1080 CG ARG A 827 -6.576 1.844 -10.546 1.00 0.00 C ATOM 1081 CD ARG A 827 -7.590 2.696 -11.294 1.00 0.00 C ATOM 1082 NE ARG A 827 -8.166 1.991 -12.437 1.00 0.00 N ATOM 1083 CZ ARG A 827 -7.706 2.082 -13.685 1.00 0.00 C ATOM 1084 NH1 ARG A 827 -6.682 2.883 -13.961 1.00 0.00 N ATOM 1085 NH2 ARG A 827 -8.279 1.385 -14.658 1.00 0.00 N ATOM 0 H ARG A 827 -6.072 3.068 -7.916 1.00 0.00 H new ATOM 0 HA ARG A 827 -4.485 1.036 -9.061 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -5.588 3.677 -10.067 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -4.658 2.608 -11.098 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -6.319 0.970 -11.145 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -7.019 1.477 -9.620 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -8.387 2.992 -10.612 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -7.109 3.612 -11.638 1.00 0.00 H new ATOM 0 HE ARG A 827 -8.973 1.390 -12.269 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -6.247 3.429 -13.217 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -6.331 2.952 -14.916 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -9.073 0.778 -14.452 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -7.926 1.456 -15.612 1.00 0.00 H new ATOM 1099 N ILE A 828 -3.040 3.968 -8.588 1.00 0.00 N ATOM 1100 CA ILE A 828 -1.751 4.647 -8.517 1.00 0.00 C ATOM 1101 C ILE A 828 -0.867 4.000 -7.453 1.00 0.00 C ATOM 1102 O ILE A 828 0.339 3.847 -7.644 1.00 0.00 O ATOM 1103 CB ILE A 828 -1.918 6.151 -8.207 1.00 0.00 C ATOM 1104 CG1 ILE A 828 -2.931 6.787 -9.164 1.00 0.00 C ATOM 1105 CG2 ILE A 828 -0.579 6.866 -8.305 1.00 0.00 C ATOM 1106 CD1 ILE A 828 -3.785 7.860 -8.522 1.00 0.00 C ATOM 0 H ILE A 828 -3.833 4.536 -8.290 1.00 0.00 H new ATOM 0 HA ILE A 828 -1.276 4.550 -9.493 1.00 0.00 H new ATOM 0 HB ILE A 828 -2.292 6.252 -7.188 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -2.396 7.219 -10.010 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -3.581 6.007 -9.562 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -0.715 7.925 -8.084 1.00 0.00 H new ATOM 0 HG22 ILE A 828 0.118 6.432 -7.589 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -0.180 6.754 -9.313 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -4.478 8.264 -9.260 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -4.348 7.430 -7.694 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -3.145 8.660 -8.149 1.00 0.00 H new ATOM 1118 N LEU A 829 -1.481 3.610 -6.341 1.00 0.00 N ATOM 1119 CA LEU A 829 -0.773 2.934 -5.258 1.00 0.00 C ATOM 1120 C LEU A 829 -0.102 1.662 -5.769 1.00 0.00 C ATOM 1121 O LEU A 829 1.087 1.441 -5.541 1.00 0.00 O ATOM 1122 CB LEU A 829 -1.746 2.595 -4.124 1.00 0.00 C ATOM 1123 CG LEU A 829 -1.108 2.119 -2.813 1.00 0.00 C ATOM 1124 CD1 LEU A 829 0.161 2.905 -2.507 1.00 0.00 C ATOM 1125 CD2 LEU A 829 -2.100 2.251 -1.667 1.00 0.00 C ATOM 0 H LEU A 829 -2.476 3.752 -6.165 1.00 0.00 H new ATOM 0 HA LEU A 829 -0.002 3.604 -4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -2.349 3.478 -3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -2.428 1.821 -4.476 1.00 0.00 H new ATOM 0 HG LEU A 829 -0.838 1.069 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 829 0.594 2.548 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 829 0.879 2.766 -3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -0.080 3.964 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -1.635 1.910 -0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -2.396 3.295 -1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -2.980 1.643 -1.876 1.00 0.00 H new ATOM 1137 N ALA A 830 -0.864 0.848 -6.489 1.00 0.00 N ATOM 1138 CA ALA A 830 -0.357 -0.408 -7.030 1.00 0.00 C ATOM 1139 C ALA A 830 0.848 -0.174 -7.934 1.00 0.00 C ATOM 1140 O ALA A 830 1.807 -0.947 -7.919 1.00 0.00 O ATOM 1141 CB ALA A 830 -1.456 -1.137 -7.785 1.00 0.00 C ATOM 0 H ALA A 830 -1.841 1.036 -6.713 1.00 0.00 H new ATOM 0 HA ALA A 830 -0.032 -1.029 -6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -1.064 -2.073 -8.184 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -2.284 -1.349 -7.108 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -1.809 -0.513 -8.606 1.00 0.00 H new ATOM 1147 N GLN A 831 0.799 0.901 -8.709 1.00 0.00 N ATOM 1148 CA GLN A 831 1.889 1.250 -9.609 1.00 0.00 C ATOM 1149 C GLN A 831 3.098 1.752 -8.822 1.00 0.00 C ATOM 1150 O GLN A 831 4.220 1.282 -9.023 1.00 0.00 O ATOM 1151 CB GLN A 831 1.426 2.318 -10.606 1.00 0.00 C ATOM 1152 CG GLN A 831 2.482 2.707 -11.630 1.00 0.00 C ATOM 1153 CD GLN A 831 3.037 4.099 -11.393 1.00 0.00 C ATOM 1154 OE1 GLN A 831 2.286 5.063 -11.225 1.00 0.00 O ATOM 1155 NE2 GLN A 831 4.356 4.213 -11.376 1.00 0.00 N ATOM 0 H GLN A 831 0.012 1.549 -8.732 1.00 0.00 H new ATOM 0 HA GLN A 831 2.184 0.356 -10.158 1.00 0.00 H new ATOM 0 HB2 GLN A 831 0.543 1.953 -11.130 1.00 0.00 H new ATOM 0 HB3 GLN A 831 1.124 3.208 -10.055 1.00 0.00 H new ATOM 0 HG2 GLN A 831 3.297 1.984 -11.599 1.00 0.00 H new ATOM 0 HG3 GLN A 831 2.050 2.657 -12.629 1.00 0.00 H new ATOM 0 HE21 GLN A 831 4.941 3.390 -11.519 1.00 0.00 H new ATOM 0 HE22 GLN A 831 4.787 5.124 -11.220 1.00 0.00 H new ATOM 1164 N ALA A 832 2.851 2.688 -7.909 1.00 0.00 N ATOM 1165 CA ALA A 832 3.914 3.321 -7.138 1.00 0.00 C ATOM 1166 C ALA A 832 4.688 2.307 -6.300 1.00 0.00 C ATOM 1167 O ALA A 832 5.920 2.285 -6.323 1.00 0.00 O ATOM 1168 CB ALA A 832 3.337 4.414 -6.250 1.00 0.00 C ATOM 0 H ALA A 832 1.915 3.026 -7.685 1.00 0.00 H new ATOM 0 HA ALA A 832 4.616 3.765 -7.843 1.00 0.00 H new ATOM 0 HB1 ALA A 832 4.140 4.880 -5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 832 2.849 5.166 -6.870 1.00 0.00 H new ATOM 0 HB3 ALA A 832 2.609 3.980 -5.565 1.00 0.00 H new ATOM 1174 N THR A 833 3.969 1.463 -5.568 1.00 0.00 N ATOM 1175 CA THR A 833 4.608 0.471 -4.717 1.00 0.00 C ATOM 1176 C THR A 833 5.436 -0.519 -5.532 1.00 0.00 C ATOM 1177 O THR A 833 6.522 -0.918 -5.110 1.00 0.00 O ATOM 1178 CB THR A 833 3.576 -0.297 -3.876 1.00 0.00 C ATOM 1179 OG1 THR A 833 2.653 0.624 -3.284 1.00 0.00 O ATOM 1180 CG2 THR A 833 4.265 -1.099 -2.784 1.00 0.00 C ATOM 0 H THR A 833 2.949 1.447 -5.548 1.00 0.00 H new ATOM 0 HA THR A 833 5.273 1.017 -4.048 1.00 0.00 H new ATOM 0 HB THR A 833 3.039 -0.985 -4.529 1.00 0.00 H new ATOM 0 HG1 THR A 833 2.078 0.148 -2.649 1.00 0.00 H new ATOM 0 HG21 THR A 833 3.517 -1.635 -2.200 1.00 0.00 H new ATOM 0 HG22 THR A 833 4.953 -1.813 -3.236 1.00 0.00 H new ATOM 0 HG23 THR A 833 4.819 -0.424 -2.132 1.00 0.00 H new ATOM 1188 N SER A 834 4.935 -0.899 -6.704 1.00 0.00 N ATOM 1189 CA SER A 834 5.658 -1.824 -7.569 1.00 0.00 C ATOM 1190 C SER A 834 7.022 -1.250 -7.937 1.00 0.00 C ATOM 1191 O SER A 834 8.029 -1.960 -7.938 1.00 0.00 O ATOM 1192 CB SER A 834 4.846 -2.116 -8.833 1.00 0.00 C ATOM 1193 OG SER A 834 3.625 -2.766 -8.515 1.00 0.00 O ATOM 0 H SER A 834 4.038 -0.583 -7.074 1.00 0.00 H new ATOM 0 HA SER A 834 5.808 -2.759 -7.029 1.00 0.00 H new ATOM 0 HB2 SER A 834 4.640 -1.184 -9.360 1.00 0.00 H new ATOM 0 HB3 SER A 834 5.430 -2.742 -9.508 1.00 0.00 H new ATOM 0 HG SER A 834 3.013 -2.126 -8.095 1.00 0.00 H new ATOM 1199 N ASP A 835 7.048 0.046 -8.219 1.00 0.00 N ATOM 1200 CA ASP A 835 8.287 0.731 -8.555 1.00 0.00 C ATOM 1201 C ASP A 835 9.216 0.781 -7.348 1.00 0.00 C ATOM 1202 O ASP A 835 10.413 0.512 -7.460 1.00 0.00 O ATOM 1203 CB ASP A 835 7.993 2.149 -9.043 1.00 0.00 C ATOM 1204 CG ASP A 835 9.077 2.680 -9.956 1.00 0.00 C ATOM 1205 OD1 ASP A 835 9.222 2.156 -11.079 1.00 0.00 O ATOM 1206 OD2 ASP A 835 9.779 3.634 -9.562 1.00 0.00 O ATOM 0 H ASP A 835 6.222 0.645 -8.221 1.00 0.00 H new ATOM 0 HA ASP A 835 8.780 0.175 -9.353 1.00 0.00 H new ATOM 0 HB2 ASP A 835 7.040 2.158 -9.571 1.00 0.00 H new ATOM 0 HB3 ASP A 835 7.888 2.812 -8.184 1.00 0.00 H new ATOM 1211 N LEU A 836 8.646 1.114 -6.194 1.00 0.00 N ATOM 1212 CA LEU A 836 9.400 1.201 -4.948 1.00 0.00 C ATOM 1213 C LEU A 836 10.031 -0.143 -4.591 1.00 0.00 C ATOM 1214 O LEU A 836 11.238 -0.227 -4.356 1.00 0.00 O ATOM 1215 CB LEU A 836 8.475 1.678 -3.816 1.00 0.00 C ATOM 1216 CG LEU A 836 8.965 1.408 -2.389 1.00 0.00 C ATOM 1217 CD1 LEU A 836 10.093 2.361 -2.024 1.00 0.00 C ATOM 1218 CD2 LEU A 836 7.817 1.543 -1.404 1.00 0.00 C ATOM 0 H LEU A 836 7.654 1.330 -6.096 1.00 0.00 H new ATOM 0 HA LEU A 836 10.207 1.922 -5.081 1.00 0.00 H new ATOM 0 HB2 LEU A 836 8.319 2.751 -3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 836 7.503 1.200 -3.942 1.00 0.00 H new ATOM 0 HG LEU A 836 9.347 0.388 -2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 836 10.429 2.155 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 836 10.924 2.223 -2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 836 9.736 3.389 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 836 8.179 1.349 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 836 7.410 2.553 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.037 0.824 -1.654 1.00 0.00 H new ATOM 1230 N VAL A 837 9.219 -1.193 -4.582 1.00 0.00 N ATOM 1231 CA VAL A 837 9.686 -2.526 -4.219 1.00 0.00 C ATOM 1232 C VAL A 837 10.762 -3.009 -5.187 1.00 0.00 C ATOM 1233 O VAL A 837 11.780 -3.563 -4.770 1.00 0.00 O ATOM 1234 CB VAL A 837 8.522 -3.543 -4.187 1.00 0.00 C ATOM 1235 CG1 VAL A 837 9.026 -4.946 -3.885 1.00 0.00 C ATOM 1236 CG2 VAL A 837 7.479 -3.125 -3.162 1.00 0.00 C ATOM 0 H VAL A 837 8.229 -1.147 -4.823 1.00 0.00 H new ATOM 0 HA VAL A 837 10.113 -2.456 -3.218 1.00 0.00 H new ATOM 0 HB VAL A 837 8.060 -3.555 -5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 837 8.185 -5.639 -3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 837 9.734 -5.252 -4.655 1.00 0.00 H new ATOM 0 HG13 VAL A 837 9.521 -4.954 -2.914 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.667 -3.852 -3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.937 -3.080 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.084 -2.143 -3.424 1.00 0.00 H new ATOM 1246 N ASN A 838 10.540 -2.781 -6.477 1.00 0.00 N ATOM 1247 CA ASN A 838 11.490 -3.203 -7.502 1.00 0.00 C ATOM 1248 C ASN A 838 12.822 -2.480 -7.341 1.00 0.00 C ATOM 1249 O ASN A 838 13.884 -3.074 -7.521 1.00 0.00 O ATOM 1250 CB ASN A 838 10.926 -2.942 -8.902 1.00 0.00 C ATOM 1251 CG ASN A 838 11.846 -3.449 -9.997 1.00 0.00 C ATOM 1252 OD1 ASN A 838 11.922 -4.650 -10.253 1.00 0.00 O ATOM 1253 ND2 ASN A 838 12.550 -2.538 -10.651 1.00 0.00 N ATOM 0 H ASN A 838 9.712 -2.307 -6.838 1.00 0.00 H new ATOM 0 HA ASN A 838 11.656 -4.273 -7.380 1.00 0.00 H new ATOM 0 HB2 ASN A 838 9.953 -3.425 -8.995 1.00 0.00 H new ATOM 0 HB3 ASN A 838 10.765 -1.872 -9.033 1.00 0.00 H new ATOM 0 HD21 ASN A 838 13.184 -2.823 -11.398 1.00 0.00 H new ATOM 0 HD22 ASN A 838 12.458 -1.552 -10.408 1.00 0.00 H new ATOM 1260 N ALA A 839 12.760 -1.200 -6.986 1.00 0.00 N ATOM 1261 CA ALA A 839 13.962 -0.393 -6.814 1.00 0.00 C ATOM 1262 C ALA A 839 14.849 -0.967 -5.717 1.00 0.00 C ATOM 1263 O ALA A 839 16.049 -1.166 -5.919 1.00 0.00 O ATOM 1264 CB ALA A 839 13.589 1.050 -6.504 1.00 0.00 C ATOM 0 H ALA A 839 11.889 -0.699 -6.812 1.00 0.00 H new ATOM 0 HA ALA A 839 14.526 -0.413 -7.747 1.00 0.00 H new ATOM 0 HB1 ALA A 839 14.496 1.641 -6.378 1.00 0.00 H new ATOM 0 HB2 ALA A 839 13.001 1.458 -7.326 1.00 0.00 H new ATOM 0 HB3 ALA A 839 13.003 1.085 -5.586 1.00 0.00 H new ATOM 1270 N ILE A 840 14.245 -1.251 -4.568 1.00 0.00 N ATOM 1271 CA ILE A 840 14.966 -1.833 -3.440 1.00 0.00 C ATOM 1272 C ILE A 840 15.458 -3.235 -3.781 1.00 0.00 C ATOM 1273 O ILE A 840 16.591 -3.603 -3.470 1.00 0.00 O ATOM 1274 CB ILE A 840 14.079 -1.899 -2.177 1.00 0.00 C ATOM 1275 CG1 ILE A 840 13.458 -0.531 -1.899 1.00 0.00 C ATOM 1276 CG2 ILE A 840 14.887 -2.373 -0.976 1.00 0.00 C ATOM 1277 CD1 ILE A 840 12.069 -0.601 -1.312 1.00 0.00 C ATOM 0 H ILE A 840 13.254 -1.087 -4.392 1.00 0.00 H new ATOM 0 HA ILE A 840 15.820 -1.187 -3.235 1.00 0.00 H new ATOM 0 HB ILE A 840 13.278 -2.618 -2.352 1.00 0.00 H new ATOM 0 HG12 ILE A 840 14.104 0.019 -1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 840 13.421 0.037 -2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 840 14.243 -2.412 -0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 840 15.288 -3.366 -1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 840 15.708 -1.680 -0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 840 11.694 0.408 -1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 840 11.407 -1.122 -2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 840 12.101 -1.140 -0.365 1.00 0.00 H new ATOM 1289 N LYS A 841 14.597 -4.007 -4.434 1.00 0.00 N ATOM 1290 CA LYS A 841 14.936 -5.363 -4.849 1.00 0.00 C ATOM 1291 C LYS A 841 16.165 -5.362 -5.756 1.00 0.00 C ATOM 1292 O LYS A 841 17.084 -6.164 -5.578 1.00 0.00 O ATOM 1293 CB LYS A 841 13.747 -6.000 -5.575 1.00 0.00 C ATOM 1294 CG LYS A 841 13.938 -7.472 -5.900 1.00 0.00 C ATOM 1295 CD LYS A 841 13.697 -7.746 -7.376 1.00 0.00 C ATOM 1296 CE LYS A 841 13.809 -9.228 -7.695 1.00 0.00 C ATOM 1297 NZ LYS A 841 15.221 -9.682 -7.713 1.00 0.00 N ATOM 0 H LYS A 841 13.654 -3.715 -4.689 1.00 0.00 H new ATOM 0 HA LYS A 841 15.168 -5.948 -3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 841 12.855 -5.887 -4.958 1.00 0.00 H new ATOM 0 HB3 LYS A 841 13.565 -5.455 -6.501 1.00 0.00 H new ATOM 0 HG2 LYS A 841 14.949 -7.778 -5.631 1.00 0.00 H new ATOM 0 HG3 LYS A 841 13.253 -8.071 -5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 841 12.707 -7.387 -7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 841 14.419 -7.189 -7.973 1.00 0.00 H new ATOM 0 HE2 LYS A 841 13.252 -9.802 -6.955 1.00 0.00 H new ATOM 0 HE3 LYS A 841 13.351 -9.427 -8.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 15.270 -10.647 -8.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 15.784 -9.043 -8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 15.600 -9.675 -6.745 1.00 0.00 H new ATOM 1311 N ALA A 842 16.180 -4.442 -6.713 1.00 0.00 N ATOM 1312 CA ALA A 842 17.268 -4.347 -7.674 1.00 0.00 C ATOM 1313 C ALA A 842 18.558 -3.863 -7.020 1.00 0.00 C ATOM 1314 O ALA A 842 19.650 -4.262 -7.420 1.00 0.00 O ATOM 1315 CB ALA A 842 16.880 -3.429 -8.819 1.00 0.00 C ATOM 0 H ALA A 842 15.445 -3.747 -6.843 1.00 0.00 H new ATOM 0 HA ALA A 842 17.452 -5.348 -8.065 1.00 0.00 H new ATOM 0 HB1 ALA A 842 17.703 -3.367 -9.531 1.00 0.00 H new ATOM 0 HB2 ALA A 842 15.997 -3.825 -9.320 1.00 0.00 H new ATOM 0 HB3 ALA A 842 16.661 -2.435 -8.430 1.00 0.00 H new ATOM 1321 N ASP A 843 18.436 -3.003 -6.017 1.00 0.00 N ATOM 1322 CA ASP A 843 19.614 -2.495 -5.316 1.00 0.00 C ATOM 1323 C ASP A 843 20.184 -3.564 -4.393 1.00 0.00 C ATOM 1324 O ASP A 843 21.400 -3.691 -4.243 1.00 0.00 O ATOM 1325 CB ASP A 843 19.287 -1.232 -4.518 1.00 0.00 C ATOM 1326 CG ASP A 843 20.506 -0.352 -4.323 1.00 0.00 C ATOM 1327 OD1 ASP A 843 20.834 0.434 -5.241 1.00 0.00 O ATOM 1328 OD2 ASP A 843 21.156 -0.448 -3.261 1.00 0.00 O ATOM 0 H ASP A 843 17.546 -2.644 -5.672 1.00 0.00 H new ATOM 0 HA ASP A 843 20.361 -2.236 -6.066 1.00 0.00 H new ATOM 0 HB2 ASP A 843 18.511 -0.667 -5.035 1.00 0.00 H new ATOM 0 HB3 ASP A 843 18.883 -1.512 -3.545 1.00 0.00 H new ATOM 1333 N ALA A 844 19.297 -4.340 -3.784 1.00 0.00 N ATOM 1334 CA ALA A 844 19.707 -5.450 -2.935 1.00 0.00 C ATOM 1335 C ALA A 844 20.341 -6.561 -3.769 1.00 0.00 C ATOM 1336 O ALA A 844 21.047 -7.420 -3.243 1.00 0.00 O ATOM 1337 CB ALA A 844 18.523 -5.985 -2.146 1.00 0.00 C ATOM 0 H ALA A 844 18.287 -4.221 -3.863 1.00 0.00 H new ATOM 0 HA ALA A 844 20.453 -5.083 -2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 844 18.849 -6.814 -1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 844 18.116 -5.192 -1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 844 17.754 -6.333 -2.835 1.00 0.00 H new ATOM 1343 N GLU A 845 20.065 -6.545 -5.069 1.00 0.00 N ATOM 1344 CA GLU A 845 20.694 -7.465 -6.002 1.00 0.00 C ATOM 1345 C GLU A 845 22.160 -7.084 -6.168 1.00 0.00 C ATOM 1346 O GLU A 845 22.506 -6.217 -6.970 1.00 0.00 O ATOM 1347 CB GLU A 845 19.980 -7.428 -7.357 1.00 0.00 C ATOM 1348 CG GLU A 845 18.788 -8.365 -7.450 1.00 0.00 C ATOM 1349 CD GLU A 845 18.104 -8.306 -8.800 1.00 0.00 C ATOM 1350 OE1 GLU A 845 18.768 -8.571 -9.824 1.00 0.00 O ATOM 1351 OE2 GLU A 845 16.893 -8.008 -8.843 1.00 0.00 O ATOM 0 H GLU A 845 19.404 -5.899 -5.500 1.00 0.00 H new ATOM 0 HA GLU A 845 20.623 -8.479 -5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 845 19.645 -6.409 -7.553 1.00 0.00 H new ATOM 0 HB3 GLU A 845 20.694 -7.685 -8.140 1.00 0.00 H new ATOM 0 HG2 GLU A 845 19.118 -9.386 -7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 845 18.069 -8.111 -6.671 1.00 0.00 H new ATOM 1358 N GLY A 846 23.010 -7.726 -5.389 1.00 0.00 N ATOM 1359 CA GLY A 846 24.402 -7.337 -5.329 1.00 0.00 C ATOM 1360 C GLY A 846 24.629 -6.383 -4.180 1.00 0.00 C ATOM 1361 O GLY A 846 25.077 -5.249 -4.368 1.00 0.00 O ATOM 0 H GLY A 846 22.761 -8.515 -4.793 1.00 0.00 H new ATOM 0 HA2 GLY A 846 25.029 -8.220 -5.207 1.00 0.00 H new ATOM 0 HA3 GLY A 846 24.696 -6.865 -6.266 1.00 0.00 H new ATOM 1365 N GLU A 847 24.302 -6.851 -2.988 1.00 0.00 N ATOM 1366 CA GLU A 847 24.288 -6.021 -1.798 1.00 0.00 C ATOM 1367 C GLU A 847 25.634 -6.042 -1.083 1.00 0.00 C ATOM 1368 O GLU A 847 26.466 -6.916 -1.329 1.00 0.00 O ATOM 1369 CB GLU A 847 23.183 -6.506 -0.851 1.00 0.00 C ATOM 1370 CG GLU A 847 23.503 -7.808 -0.130 1.00 0.00 C ATOM 1371 CD GLU A 847 23.177 -9.040 -0.956 1.00 0.00 C ATOM 1372 OE1 GLU A 847 23.847 -9.267 -1.984 1.00 0.00 O ATOM 1373 OE2 GLU A 847 22.249 -9.786 -0.581 1.00 0.00 O ATOM 0 H GLU A 847 24.038 -7.822 -2.819 1.00 0.00 H new ATOM 0 HA GLU A 847 24.092 -4.993 -2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 847 22.991 -5.731 -0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 847 22.263 -6.637 -1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 847 24.561 -7.822 0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 847 22.944 -7.846 0.805 1.00 0.00 H new ATOM 1380 N SER A 848 25.843 -5.064 -0.214 1.00 0.00 N ATOM 1381 CA SER A 848 27.034 -5.017 0.616 1.00 0.00 C ATOM 1382 C SER A 848 27.020 -6.162 1.627 1.00 0.00 C ATOM 1383 O SER A 848 27.788 -7.118 1.504 1.00 0.00 O ATOM 1384 CB SER A 848 27.104 -3.664 1.321 1.00 0.00 C ATOM 1385 OG SER A 848 26.307 -2.707 0.637 1.00 0.00 O ATOM 0 H SER A 848 25.198 -4.288 -0.066 1.00 0.00 H new ATOM 0 HA SER A 848 27.920 -5.135 -0.008 1.00 0.00 H new ATOM 0 HB2 SER A 848 26.759 -3.765 2.350 1.00 0.00 H new ATOM 0 HB3 SER A 848 28.138 -3.322 1.363 1.00 0.00 H new ATOM 0 HG SER A 848 26.360 -1.845 1.101 1.00 0.00 H new ATOM 1391 N ASP A 849 26.125 -6.078 2.603 1.00 0.00 N ATOM 1392 CA ASP A 849 25.988 -7.128 3.602 1.00 0.00 C ATOM 1393 C ASP A 849 24.638 -7.812 3.459 1.00 0.00 C ATOM 1394 O ASP A 849 23.609 -7.150 3.306 1.00 0.00 O ATOM 1395 CB ASP A 849 26.144 -6.565 5.015 1.00 0.00 C ATOM 1396 CG ASP A 849 26.368 -7.659 6.039 1.00 0.00 C ATOM 1397 OD1 ASP A 849 25.377 -8.225 6.538 1.00 0.00 O ATOM 1398 OD2 ASP A 849 27.539 -7.964 6.347 1.00 0.00 O ATOM 0 H ASP A 849 25.484 -5.294 2.723 1.00 0.00 H new ATOM 0 HA ASP A 849 26.779 -7.859 3.438 1.00 0.00 H new ATOM 0 HB2 ASP A 849 26.983 -5.869 5.038 1.00 0.00 H new ATOM 0 HB3 ASP A 849 25.252 -5.997 5.280 1.00 0.00 H new ATOM 1403 N LEU A 850 24.647 -9.135 3.521 1.00 0.00 N ATOM 1404 CA LEU A 850 23.450 -9.928 3.270 1.00 0.00 C ATOM 1405 C LEU A 850 22.438 -9.832 4.409 1.00 0.00 C ATOM 1406 O LEU A 850 21.288 -10.245 4.253 1.00 0.00 O ATOM 1407 CB LEU A 850 23.826 -11.388 3.041 1.00 0.00 C ATOM 1408 CG LEU A 850 23.676 -11.876 1.601 1.00 0.00 C ATOM 1409 CD1 LEU A 850 24.818 -12.809 1.234 1.00 0.00 C ATOM 1410 CD2 LEU A 850 22.334 -12.566 1.416 1.00 0.00 C ATOM 0 H LEU A 850 25.475 -9.686 3.744 1.00 0.00 H new ATOM 0 HA LEU A 850 22.979 -9.520 2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 850 24.860 -11.534 3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 850 23.208 -12.012 3.686 1.00 0.00 H new ATOM 0 HG LEU A 850 23.714 -11.015 0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 850 24.695 -13.147 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 850 25.766 -12.280 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 850 24.813 -13.670 1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 850 22.240 -12.909 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 850 22.268 -13.420 2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 850 21.530 -11.864 1.640 1.00 0.00 H new ATOM 1422 N GLU A 851 22.849 -9.302 5.553 1.00 0.00 N ATOM 1423 CA GLU A 851 21.915 -9.121 6.654 1.00 0.00 C ATOM 1424 C GLU A 851 20.921 -8.023 6.297 1.00 0.00 C ATOM 1425 O GLU A 851 19.732 -8.126 6.592 1.00 0.00 O ATOM 1426 CB GLU A 851 22.655 -8.806 7.967 1.00 0.00 C ATOM 1427 CG GLU A 851 22.666 -7.331 8.357 1.00 0.00 C ATOM 1428 CD GLU A 851 21.662 -7.003 9.440 1.00 0.00 C ATOM 1429 OE1 GLU A 851 21.185 -7.935 10.116 1.00 0.00 O ATOM 1430 OE2 GLU A 851 21.349 -5.807 9.629 1.00 0.00 O ATOM 0 H GLU A 851 23.804 -8.995 5.741 1.00 0.00 H new ATOM 0 HA GLU A 851 21.369 -10.051 6.814 1.00 0.00 H new ATOM 0 HB2 GLU A 851 22.195 -9.377 8.773 1.00 0.00 H new ATOM 0 HB3 GLU A 851 23.685 -9.152 7.879 1.00 0.00 H new ATOM 0 HG2 GLU A 851 23.664 -7.058 8.699 1.00 0.00 H new ATOM 0 HG3 GLU A 851 22.454 -6.725 7.476 1.00 0.00 H new ATOM 1437 N ASN A 852 21.414 -6.994 5.618 1.00 0.00 N ATOM 1438 CA ASN A 852 20.583 -5.863 5.241 1.00 0.00 C ATOM 1439 C ASN A 852 19.605 -6.275 4.163 1.00 0.00 C ATOM 1440 O ASN A 852 18.413 -5.990 4.256 1.00 0.00 O ATOM 1441 CB ASN A 852 21.435 -4.701 4.725 1.00 0.00 C ATOM 1442 CG ASN A 852 22.160 -3.955 5.826 1.00 0.00 C ATOM 1443 OD1 ASN A 852 22.014 -4.261 7.010 1.00 0.00 O ATOM 1444 ND2 ASN A 852 22.940 -2.957 5.447 1.00 0.00 N ATOM 0 H ASN A 852 22.386 -6.922 5.318 1.00 0.00 H new ATOM 0 HA ASN A 852 20.042 -5.536 6.129 1.00 0.00 H new ATOM 0 HB2 ASN A 852 22.166 -5.084 4.013 1.00 0.00 H new ATOM 0 HB3 ASN A 852 20.796 -4.004 4.183 1.00 0.00 H new ATOM 0 HD21 ASN A 852 23.445 -2.411 6.145 1.00 0.00 H new ATOM 0 HD22 ASN A 852 23.036 -2.733 4.457 1.00 0.00 H new ATOM 1451 N SER A 853 20.122 -6.973 3.157 1.00 0.00 N ATOM 1452 CA SER A 853 19.349 -7.329 1.978 1.00 0.00 C ATOM 1453 C SER A 853 18.130 -8.165 2.338 1.00 0.00 C ATOM 1454 O SER A 853 17.030 -7.904 1.859 1.00 0.00 O ATOM 1455 CB SER A 853 20.232 -8.086 0.991 1.00 0.00 C ATOM 1456 OG SER A 853 20.826 -9.216 1.597 1.00 0.00 O ATOM 0 H SER A 853 21.086 -7.306 3.138 1.00 0.00 H new ATOM 0 HA SER A 853 18.993 -6.407 1.517 1.00 0.00 H new ATOM 0 HB2 SER A 853 19.636 -8.401 0.134 1.00 0.00 H new ATOM 0 HB3 SER A 853 21.010 -7.423 0.612 1.00 0.00 H new ATOM 0 HG SER A 853 21.338 -9.715 0.927 1.00 0.00 H new ATOM 1462 N ARG A 854 18.320 -9.155 3.196 1.00 0.00 N ATOM 1463 CA ARG A 854 17.228 -10.030 3.591 1.00 0.00 C ATOM 1464 C ARG A 854 16.100 -9.233 4.236 1.00 0.00 C ATOM 1465 O ARG A 854 14.930 -9.428 3.911 1.00 0.00 O ATOM 1466 CB ARG A 854 17.728 -11.119 4.530 1.00 0.00 C ATOM 1467 CG ARG A 854 18.274 -12.321 3.778 1.00 0.00 C ATOM 1468 CD ARG A 854 19.528 -12.873 4.430 1.00 0.00 C ATOM 1469 NE ARG A 854 19.220 -13.728 5.577 1.00 0.00 N ATOM 1470 CZ ARG A 854 20.140 -14.218 6.408 1.00 0.00 C ATOM 1471 NH1 ARG A 854 21.428 -13.961 6.204 1.00 0.00 N ATOM 1472 NH2 ARG A 854 19.773 -14.971 7.436 1.00 0.00 N ATOM 0 H ARG A 854 19.217 -9.372 3.631 1.00 0.00 H new ATOM 0 HA ARG A 854 16.832 -10.507 2.695 1.00 0.00 H new ATOM 0 HB2 ARG A 854 18.507 -10.711 5.174 1.00 0.00 H new ATOM 0 HB3 ARG A 854 16.913 -11.439 5.179 1.00 0.00 H new ATOM 0 HG2 ARG A 854 17.513 -13.100 3.737 1.00 0.00 H new ATOM 0 HG3 ARG A 854 18.495 -12.036 2.749 1.00 0.00 H new ATOM 0 HD2 ARG A 854 20.097 -13.443 3.696 1.00 0.00 H new ATOM 0 HD3 ARG A 854 20.162 -12.047 4.753 1.00 0.00 H new ATOM 0 HE ARG A 854 18.243 -13.963 5.751 1.00 0.00 H new ATOM 0 HH11 ARG A 854 21.714 -13.388 5.410 1.00 0.00 H new ATOM 0 HH12 ARG A 854 22.130 -14.337 6.841 1.00 0.00 H new ATOM 0 HH21 ARG A 854 18.786 -15.176 7.591 1.00 0.00 H new ATOM 0 HH22 ARG A 854 20.478 -15.345 8.071 1.00 0.00 H new ATOM 1486 N LYS A 855 16.456 -8.319 5.126 1.00 0.00 N ATOM 1487 CA LYS A 855 15.475 -7.425 5.730 1.00 0.00 C ATOM 1488 C LYS A 855 14.886 -6.506 4.668 1.00 0.00 C ATOM 1489 O LYS A 855 13.691 -6.218 4.661 1.00 0.00 O ATOM 1490 CB LYS A 855 16.127 -6.580 6.822 1.00 0.00 C ATOM 1491 CG LYS A 855 16.507 -7.371 8.061 1.00 0.00 C ATOM 1492 CD LYS A 855 17.881 -6.984 8.572 1.00 0.00 C ATOM 1493 CE LYS A 855 18.021 -7.253 10.060 1.00 0.00 C ATOM 1494 NZ LYS A 855 18.645 -8.574 10.332 1.00 0.00 N ATOM 0 H LYS A 855 17.414 -8.176 5.446 1.00 0.00 H new ATOM 0 HA LYS A 855 14.682 -8.030 6.171 1.00 0.00 H new ATOM 0 HB2 LYS A 855 17.021 -6.105 6.417 1.00 0.00 H new ATOM 0 HB3 LYS A 855 15.443 -5.781 7.108 1.00 0.00 H new ATOM 0 HG2 LYS A 855 15.767 -7.201 8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 855 16.490 -8.437 7.832 1.00 0.00 H new ATOM 0 HD2 LYS A 855 18.643 -7.542 8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 855 18.059 -5.927 8.375 1.00 0.00 H new ATOM 0 HE2 LYS A 855 18.624 -6.467 10.515 1.00 0.00 H new ATOM 0 HE3 LYS A 855 17.038 -7.213 10.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 855 18.614 -8.769 11.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 855 18.124 -9.316 9.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 855 19.634 -8.563 10.012 1.00 0.00 H new ATOM 1508 N LEU A 856 15.752 -6.067 3.765 1.00 0.00 N ATOM 1509 CA LEU A 856 15.390 -5.132 2.712 1.00 0.00 C ATOM 1510 C LEU A 856 14.282 -5.686 1.837 1.00 0.00 C ATOM 1511 O LEU A 856 13.263 -5.037 1.601 1.00 0.00 O ATOM 1512 CB LEU A 856 16.631 -4.900 1.847 1.00 0.00 C ATOM 1513 CG LEU A 856 17.573 -3.798 2.344 1.00 0.00 C ATOM 1514 CD1 LEU A 856 18.875 -3.804 1.556 1.00 0.00 C ATOM 1515 CD2 LEU A 856 16.914 -2.431 2.277 1.00 0.00 C ATOM 0 H LEU A 856 16.731 -6.352 3.743 1.00 0.00 H new ATOM 0 HA LEU A 856 15.034 -4.206 3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 856 17.190 -5.833 1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 856 16.309 -4.652 0.836 1.00 0.00 H new ATOM 0 HG LEU A 856 17.801 -4.007 3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 856 19.528 -3.014 1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 856 19.369 -4.768 1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 856 18.662 -3.634 0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 856 17.610 -1.673 2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 856 16.638 -2.210 1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 856 16.020 -2.427 2.900 1.00 0.00 H new ATOM 1527 N LEU A 857 14.490 -6.902 1.396 1.00 0.00 N ATOM 1528 CA LEU A 857 13.579 -7.566 0.493 1.00 0.00 C ATOM 1529 C LEU A 857 12.323 -8.054 1.205 1.00 0.00 C ATOM 1530 O LEU A 857 11.266 -8.192 0.591 1.00 0.00 O ATOM 1531 CB LEU A 857 14.328 -8.687 -0.210 1.00 0.00 C ATOM 1532 CG LEU A 857 15.606 -8.213 -0.910 1.00 0.00 C ATOM 1533 CD1 LEU A 857 16.684 -9.293 -0.860 1.00 0.00 C ATOM 1534 CD2 LEU A 857 15.299 -7.838 -2.351 1.00 0.00 C ATOM 0 H LEU A 857 15.301 -7.464 1.654 1.00 0.00 H new ATOM 0 HA LEU A 857 13.224 -6.857 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 857 14.584 -9.456 0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 857 13.669 -9.150 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 857 15.983 -7.334 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 857 17.582 -8.934 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 857 16.918 -9.525 0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 857 16.322 -10.191 -1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 857 16.212 -7.502 -2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 857 14.903 -8.707 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 857 14.561 -7.036 -2.369 1.00 0.00 H new ATOM 1546 N SER A 858 12.436 -8.313 2.503 1.00 0.00 N ATOM 1547 CA SER A 858 11.284 -8.732 3.291 1.00 0.00 C ATOM 1548 C SER A 858 10.368 -7.544 3.568 1.00 0.00 C ATOM 1549 O SER A 858 9.144 -7.657 3.478 1.00 0.00 O ATOM 1550 CB SER A 858 11.736 -9.377 4.600 1.00 0.00 C ATOM 1551 OG SER A 858 12.592 -10.480 4.350 1.00 0.00 O ATOM 0 H SER A 858 13.307 -8.241 3.028 1.00 0.00 H new ATOM 0 HA SER A 858 10.725 -9.473 2.719 1.00 0.00 H new ATOM 0 HB2 SER A 858 12.255 -8.640 5.213 1.00 0.00 H new ATOM 0 HB3 SER A 858 10.866 -9.708 5.167 1.00 0.00 H new ATOM 0 HG SER A 858 13.405 -10.168 3.900 1.00 0.00 H new ATOM 1557 N ALA A 859 10.970 -6.401 3.885 1.00 0.00 N ATOM 1558 CA ALA A 859 10.215 -5.175 4.113 1.00 0.00 C ATOM 1559 C ALA A 859 9.521 -4.730 2.833 1.00 0.00 C ATOM 1560 O ALA A 859 8.357 -4.330 2.851 1.00 0.00 O ATOM 1561 CB ALA A 859 11.129 -4.077 4.634 1.00 0.00 C ATOM 0 H ALA A 859 11.980 -6.299 3.990 1.00 0.00 H new ATOM 0 HA ALA A 859 9.452 -5.374 4.866 1.00 0.00 H new ATOM 0 HB1 ALA A 859 10.549 -3.169 4.799 1.00 0.00 H new ATOM 0 HB2 ALA A 859 11.581 -4.395 5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 859 11.913 -3.879 3.903 1.00 0.00 H new ATOM 1567 N ALA A 860 10.241 -4.819 1.718 1.00 0.00 N ATOM 1568 CA ALA A 860 9.683 -4.479 0.416 1.00 0.00 C ATOM 1569 C ALA A 860 8.526 -5.409 0.068 1.00 0.00 C ATOM 1570 O ALA A 860 7.570 -5.011 -0.596 1.00 0.00 O ATOM 1571 CB ALA A 860 10.762 -4.545 -0.655 1.00 0.00 C ATOM 0 H ALA A 860 11.214 -5.124 1.692 1.00 0.00 H new ATOM 0 HA ALA A 860 9.300 -3.460 0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 860 10.330 -4.289 -1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 860 11.557 -3.840 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 860 11.172 -5.554 -0.697 1.00 0.00 H new ATOM 1577 N LYS A 861 8.615 -6.648 0.535 1.00 0.00 N ATOM 1578 CA LYS A 861 7.559 -7.625 0.320 1.00 0.00 C ATOM 1579 C LYS A 861 6.271 -7.186 1.007 1.00 0.00 C ATOM 1580 O LYS A 861 5.186 -7.316 0.445 1.00 0.00 O ATOM 1581 CB LYS A 861 7.989 -8.996 0.838 1.00 0.00 C ATOM 1582 CG LYS A 861 7.461 -10.150 0.006 1.00 0.00 C ATOM 1583 CD LYS A 861 8.390 -11.349 0.070 1.00 0.00 C ATOM 1584 CE LYS A 861 8.093 -12.338 -1.043 1.00 0.00 C ATOM 1585 NZ LYS A 861 6.877 -13.145 -0.761 1.00 0.00 N ATOM 0 H LYS A 861 9.411 -6.999 1.067 1.00 0.00 H new ATOM 0 HA LYS A 861 7.373 -7.696 -0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 861 9.078 -9.042 0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 861 7.645 -9.112 1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 861 6.471 -10.435 0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 861 7.347 -9.831 -1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 861 9.425 -11.014 -0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 861 8.284 -11.843 1.036 1.00 0.00 H new ATOM 0 HE2 LYS A 861 7.961 -11.799 -1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 861 8.947 -13.003 -1.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 6.710 -13.807 -1.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 7.012 -13.680 0.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 6.057 -12.513 -0.661 1.00 0.00 H new ATOM 1599 N ILE A 862 6.399 -6.652 2.220 1.00 0.00 N ATOM 1600 CA ILE A 862 5.240 -6.170 2.966 1.00 0.00 C ATOM 1601 C ILE A 862 4.598 -4.995 2.240 1.00 0.00 C ATOM 1602 O ILE A 862 3.374 -4.869 2.208 1.00 0.00 O ATOM 1603 CB ILE A 862 5.605 -5.730 4.400 1.00 0.00 C ATOM 1604 CG1 ILE A 862 6.544 -6.743 5.055 1.00 0.00 C ATOM 1605 CG2 ILE A 862 4.346 -5.558 5.239 1.00 0.00 C ATOM 1606 CD1 ILE A 862 7.294 -6.184 6.245 1.00 0.00 C ATOM 0 H ILE A 862 7.290 -6.543 2.705 1.00 0.00 H new ATOM 0 HA ILE A 862 4.541 -7.004 3.033 1.00 0.00 H new ATOM 0 HB ILE A 862 6.121 -4.771 4.342 1.00 0.00 H new ATOM 0 HG12 ILE A 862 5.966 -7.610 5.374 1.00 0.00 H new ATOM 0 HG13 ILE A 862 7.262 -7.094 4.314 1.00 0.00 H new ATOM 0 HG21 ILE A 862 4.620 -5.248 6.247 1.00 0.00 H new ATOM 0 HG22 ILE A 862 3.708 -4.799 4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 862 3.807 -6.504 5.285 1.00 0.00 H new ATOM 0 HD11 ILE A 862 7.942 -6.955 6.662 1.00 0.00 H new ATOM 0 HD12 ILE A 862 7.899 -5.335 5.928 1.00 0.00 H new ATOM 0 HD13 ILE A 862 6.582 -5.859 7.004 1.00 0.00 H new ATOM 1618 N LEU A 863 5.438 -4.149 1.650 1.00 0.00 N ATOM 1619 CA LEU A 863 4.969 -3.005 0.877 1.00 0.00 C ATOM 1620 C LEU A 863 3.985 -3.455 -0.198 1.00 0.00 C ATOM 1621 O LEU A 863 2.854 -2.970 -0.265 1.00 0.00 O ATOM 1622 CB LEU A 863 6.152 -2.281 0.221 1.00 0.00 C ATOM 1623 CG LEU A 863 6.558 -0.949 0.860 1.00 0.00 C ATOM 1624 CD1 LEU A 863 5.332 -0.101 1.169 1.00 0.00 C ATOM 1625 CD2 LEU A 863 7.375 -1.190 2.119 1.00 0.00 C ATOM 0 H LEU A 863 6.453 -4.236 1.694 1.00 0.00 H new ATOM 0 HA LEU A 863 4.464 -2.319 1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 863 7.015 -2.947 0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 863 5.907 -2.100 -0.826 1.00 0.00 H new ATOM 0 HG LEU A 863 7.176 -0.403 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 863 5.645 0.840 1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 863 4.789 0.104 0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 863 4.683 -0.638 1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 863 7.655 -0.233 2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 863 6.782 -1.759 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.275 -1.750 1.867 1.00 0.00 H new ATOM 1637 N ALA A 864 4.418 -4.402 -1.022 1.00 0.00 N ATOM 1638 CA ALA A 864 3.592 -4.908 -2.112 1.00 0.00 C ATOM 1639 C ALA A 864 2.398 -5.693 -1.581 1.00 0.00 C ATOM 1640 O ALA A 864 1.276 -5.539 -2.066 1.00 0.00 O ATOM 1641 CB ALA A 864 4.426 -5.776 -3.043 1.00 0.00 C ATOM 0 H ALA A 864 5.339 -4.836 -0.956 1.00 0.00 H new ATOM 0 HA ALA A 864 3.209 -4.055 -2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 864 3.799 -6.148 -3.853 1.00 0.00 H new ATOM 0 HB2 ALA A 864 5.242 -5.184 -3.458 1.00 0.00 H new ATOM 0 HB3 ALA A 864 4.836 -6.618 -2.485 1.00 0.00 H new ATOM 1647 N ASP A 865 2.647 -6.520 -0.570 1.00 0.00 N ATOM 1648 CA ASP A 865 1.606 -7.355 0.029 1.00 0.00 C ATOM 1649 C ASP A 865 0.461 -6.505 0.571 1.00 0.00 C ATOM 1650 O ASP A 865 -0.715 -6.798 0.335 1.00 0.00 O ATOM 1651 CB ASP A 865 2.199 -8.202 1.156 1.00 0.00 C ATOM 1652 CG ASP A 865 1.345 -9.405 1.496 1.00 0.00 C ATOM 1653 OD1 ASP A 865 0.465 -9.286 2.373 1.00 0.00 O ATOM 1654 OD2 ASP A 865 1.565 -10.484 0.902 1.00 0.00 O ATOM 0 H ASP A 865 3.567 -6.631 -0.144 1.00 0.00 H new ATOM 0 HA ASP A 865 1.209 -8.008 -0.748 1.00 0.00 H new ATOM 0 HB2 ASP A 865 3.194 -8.539 0.866 1.00 0.00 H new ATOM 0 HB3 ASP A 865 2.318 -7.583 2.045 1.00 0.00 H new ATOM 1659 N ALA A 866 0.808 -5.450 1.293 1.00 0.00 N ATOM 1660 CA ALA A 866 -0.189 -4.549 1.853 1.00 0.00 C ATOM 1661 C ALA A 866 -0.872 -3.746 0.752 1.00 0.00 C ATOM 1662 O ALA A 866 -2.068 -3.478 0.826 1.00 0.00 O ATOM 1663 CB ALA A 866 0.450 -3.622 2.875 1.00 0.00 C ATOM 0 H ALA A 866 1.773 -5.196 1.505 1.00 0.00 H new ATOM 0 HA ALA A 866 -0.949 -5.147 2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -0.308 -2.954 3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 866 0.886 -4.213 3.680 1.00 0.00 H new ATOM 0 HB3 ALA A 866 1.231 -3.033 2.394 1.00 0.00 H new ATOM 1669 N THR A 867 -0.113 -3.379 -0.275 1.00 0.00 N ATOM 1670 CA THR A 867 -0.655 -2.610 -1.388 1.00 0.00 C ATOM 1671 C THR A 867 -1.691 -3.420 -2.167 1.00 0.00 C ATOM 1672 O THR A 867 -2.717 -2.885 -2.591 1.00 0.00 O ATOM 1673 CB THR A 867 0.465 -2.134 -2.335 1.00 0.00 C ATOM 1674 OG1 THR A 867 1.346 -1.251 -1.631 1.00 0.00 O ATOM 1675 CG2 THR A 867 -0.104 -1.417 -3.552 1.00 0.00 C ATOM 0 H THR A 867 0.879 -3.602 -0.359 1.00 0.00 H new ATOM 0 HA THR A 867 -1.147 -1.733 -0.967 1.00 0.00 H new ATOM 0 HB THR A 867 1.011 -3.012 -2.680 1.00 0.00 H new ATOM 0 HG1 THR A 867 1.818 -1.749 -0.931 1.00 0.00 H new ATOM 0 HG21 THR A 867 0.712 -1.095 -4.199 1.00 0.00 H new ATOM 0 HG22 THR A 867 -0.757 -2.095 -4.102 1.00 0.00 H new ATOM 0 HG23 THR A 867 -0.675 -0.547 -3.228 1.00 0.00 H new ATOM 1683 N ALA A 868 -1.431 -4.713 -2.346 1.00 0.00 N ATOM 1684 CA ALA A 868 -2.392 -5.586 -3.007 1.00 0.00 C ATOM 1685 C ALA A 868 -3.668 -5.673 -2.190 1.00 0.00 C ATOM 1686 O ALA A 868 -4.766 -5.627 -2.734 1.00 0.00 O ATOM 1687 CB ALA A 868 -1.822 -6.975 -3.218 1.00 0.00 C ATOM 0 H ALA A 868 -0.572 -5.174 -2.046 1.00 0.00 H new ATOM 0 HA ALA A 868 -2.615 -5.157 -3.984 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -2.564 -7.601 -3.713 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -0.928 -6.911 -3.839 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -1.563 -7.412 -2.254 1.00 0.00 H new ATOM 1693 N LYS A 869 -3.513 -5.789 -0.877 1.00 0.00 N ATOM 1694 CA LYS A 869 -4.654 -5.834 0.022 1.00 0.00 C ATOM 1695 C LYS A 869 -5.394 -4.503 0.000 1.00 0.00 C ATOM 1696 O LYS A 869 -6.618 -4.464 0.090 1.00 0.00 O ATOM 1697 CB LYS A 869 -4.206 -6.167 1.444 1.00 0.00 C ATOM 1698 CG LYS A 869 -4.498 -7.602 1.848 1.00 0.00 C ATOM 1699 CD LYS A 869 -5.818 -7.709 2.593 1.00 0.00 C ATOM 1700 CE LYS A 869 -6.455 -9.078 2.406 1.00 0.00 C ATOM 1701 NZ LYS A 869 -7.858 -8.977 1.922 1.00 0.00 N ATOM 0 H LYS A 869 -2.607 -5.853 -0.413 1.00 0.00 H new ATOM 0 HA LYS A 869 -5.330 -6.618 -0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -3.135 -5.983 1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -4.703 -5.493 2.141 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -4.527 -8.233 0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -3.691 -7.976 2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -5.654 -7.525 3.655 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -6.501 -6.937 2.238 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -5.867 -9.658 1.695 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -6.436 -9.619 3.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -8.340 -9.887 2.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -8.356 -8.235 2.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -7.860 -8.738 0.910 1.00 0.00 H new ATOM 1715 N MET A 870 -4.640 -3.419 -0.134 1.00 0.00 N ATOM 1716 CA MET A 870 -5.219 -2.086 -0.239 1.00 0.00 C ATOM 1717 C MET A 870 -6.056 -1.966 -1.508 1.00 0.00 C ATOM 1718 O MET A 870 -7.205 -1.529 -1.469 1.00 0.00 O ATOM 1719 CB MET A 870 -4.117 -1.023 -0.234 1.00 0.00 C ATOM 1720 CG MET A 870 -4.384 0.131 0.721 1.00 0.00 C ATOM 1721 SD MET A 870 -6.139 0.374 1.054 1.00 0.00 S ATOM 1722 CE MET A 870 -6.524 1.655 -0.133 1.00 0.00 C ATOM 0 H MET A 870 -3.621 -3.438 -0.173 1.00 0.00 H new ATOM 0 HA MET A 870 -5.866 -1.924 0.623 1.00 0.00 H new ATOM 0 HB2 MET A 870 -3.171 -1.494 0.035 1.00 0.00 H new ATOM 0 HB3 MET A 870 -4.001 -0.628 -1.243 1.00 0.00 H new ATOM 0 HG2 MET A 870 -3.863 -0.054 1.661 1.00 0.00 H new ATOM 0 HG3 MET A 870 -3.969 1.047 0.301 1.00 0.00 H new ATOM 0 HE1 MET A 870 -7.601 1.686 -0.299 1.00 0.00 H new ATOM 0 HE2 MET A 870 -6.188 2.619 0.250 1.00 0.00 H new ATOM 0 HE3 MET A 870 -6.018 1.443 -1.075 1.00 0.00 H new ATOM 1732 N VAL A 871 -5.478 -2.374 -2.633 1.00 0.00 N ATOM 1733 CA VAL A 871 -6.179 -2.336 -3.908 1.00 0.00 C ATOM 1734 C VAL A 871 -7.369 -3.300 -3.894 1.00 0.00 C ATOM 1735 O VAL A 871 -8.411 -3.032 -4.494 1.00 0.00 O ATOM 1736 CB VAL A 871 -5.216 -2.652 -5.088 1.00 0.00 C ATOM 1737 CG1 VAL A 871 -5.431 -4.048 -5.658 1.00 0.00 C ATOM 1738 CG2 VAL A 871 -5.357 -1.605 -6.182 1.00 0.00 C ATOM 0 H VAL A 871 -4.525 -2.735 -2.686 1.00 0.00 H new ATOM 0 HA VAL A 871 -6.560 -1.326 -4.057 1.00 0.00 H new ATOM 0 HB VAL A 871 -4.202 -2.622 -4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -4.734 -4.217 -6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -5.260 -4.790 -4.878 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -6.453 -4.137 -6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -4.677 -1.840 -7.001 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -6.382 -1.601 -6.552 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -5.113 -0.622 -5.779 1.00 0.00 H new ATOM 1748 N GLU A 872 -7.206 -4.410 -3.180 1.00 0.00 N ATOM 1749 CA GLU A 872 -8.255 -5.408 -3.041 1.00 0.00 C ATOM 1750 C GLU A 872 -9.412 -4.857 -2.209 1.00 0.00 C ATOM 1751 O GLU A 872 -10.582 -5.017 -2.566 1.00 0.00 O ATOM 1752 CB GLU A 872 -7.683 -6.673 -2.387 1.00 0.00 C ATOM 1753 CG GLU A 872 -8.450 -7.939 -2.729 1.00 0.00 C ATOM 1754 CD GLU A 872 -8.898 -8.693 -1.494 1.00 0.00 C ATOM 1755 OE1 GLU A 872 -8.033 -9.163 -0.729 1.00 0.00 O ATOM 1756 OE2 GLU A 872 -10.122 -8.814 -1.277 1.00 0.00 O ATOM 0 H GLU A 872 -6.345 -4.640 -2.684 1.00 0.00 H new ATOM 0 HA GLU A 872 -8.636 -5.660 -4.031 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -6.645 -6.793 -2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -7.680 -6.542 -1.305 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -9.322 -7.681 -3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -7.822 -8.588 -3.340 1.00 0.00 H new ATOM 1763 N ALA A 873 -9.072 -4.203 -1.104 1.00 0.00 N ATOM 1764 CA ALA A 873 -10.064 -3.627 -0.207 1.00 0.00 C ATOM 1765 C ALA A 873 -10.774 -2.445 -0.853 1.00 0.00 C ATOM 1766 O ALA A 873 -12.000 -2.348 -0.805 1.00 0.00 O ATOM 1767 CB ALA A 873 -9.408 -3.197 1.094 1.00 0.00 C ATOM 0 H ALA A 873 -8.107 -4.058 -0.807 1.00 0.00 H new ATOM 0 HA ALA A 873 -10.810 -4.393 0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -10.160 -2.768 1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -8.952 -4.062 1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -8.640 -2.452 0.885 1.00 0.00 H new ATOM 1773 N ALA A 874 -9.997 -1.556 -1.464 1.00 0.00 N ATOM 1774 CA ALA A 874 -10.548 -0.366 -2.102 1.00 0.00 C ATOM 1775 C ALA A 874 -11.534 -0.737 -3.202 1.00 0.00 C ATOM 1776 O ALA A 874 -12.577 -0.106 -3.343 1.00 0.00 O ATOM 1777 CB ALA A 874 -9.433 0.502 -2.663 1.00 0.00 C ATOM 0 H ALA A 874 -8.982 -1.638 -1.531 1.00 0.00 H new ATOM 0 HA ALA A 874 -11.087 0.201 -1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -9.862 1.385 -3.135 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -8.769 0.809 -1.855 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -8.867 -0.065 -3.402 1.00 0.00 H new ATOM 1783 N LYS A 875 -11.201 -1.769 -3.969 1.00 0.00 N ATOM 1784 CA LYS A 875 -12.064 -2.227 -5.052 1.00 0.00 C ATOM 1785 C LYS A 875 -13.294 -2.945 -4.503 1.00 0.00 C ATOM 1786 O LYS A 875 -14.396 -2.803 -5.034 1.00 0.00 O ATOM 1787 CB LYS A 875 -11.295 -3.158 -5.987 1.00 0.00 C ATOM 1788 CG LYS A 875 -10.480 -2.427 -7.041 1.00 0.00 C ATOM 1789 CD LYS A 875 -9.650 -3.395 -7.865 1.00 0.00 C ATOM 1790 CE LYS A 875 -8.304 -2.800 -8.238 1.00 0.00 C ATOM 1791 NZ LYS A 875 -7.629 -3.588 -9.302 1.00 0.00 N ATOM 0 H LYS A 875 -10.340 -2.305 -3.861 1.00 0.00 H new ATOM 0 HA LYS A 875 -12.395 -1.352 -5.612 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -10.628 -3.784 -5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -12.001 -3.824 -6.483 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -11.147 -1.867 -7.696 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -9.825 -1.702 -6.559 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -9.498 -4.316 -7.302 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -10.194 -3.662 -8.771 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -8.442 -1.773 -8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -7.666 -2.761 -7.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -6.713 -3.151 -9.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -7.475 -4.561 -8.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -8.226 -3.604 -10.153 1.00 0.00 H new ATOM 1805 N GLY A 876 -13.097 -3.705 -3.431 1.00 0.00 N ATOM 1806 CA GLY A 876 -14.189 -4.453 -2.836 1.00 0.00 C ATOM 1807 C GLY A 876 -15.207 -3.553 -2.165 1.00 0.00 C ATOM 1808 O GLY A 876 -16.399 -3.852 -2.151 1.00 0.00 O ATOM 0 H GLY A 876 -12.198 -3.816 -2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -14.683 -5.045 -3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -13.789 -5.154 -2.103 1.00 0.00 H new ATOM 1812 N ALA A 877 -14.737 -2.447 -1.607 1.00 0.00 N ATOM 1813 CA ALA A 877 -15.618 -1.487 -0.960 1.00 0.00 C ATOM 1814 C ALA A 877 -16.094 -0.432 -1.952 1.00 0.00 C ATOM 1815 O ALA A 877 -16.819 0.494 -1.592 1.00 0.00 O ATOM 1816 CB ALA A 877 -14.912 -0.833 0.216 1.00 0.00 C ATOM 0 H ALA A 877 -13.749 -2.192 -1.589 1.00 0.00 H new ATOM 0 HA ALA A 877 -16.493 -2.021 -0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 877 -15.583 -0.117 0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 877 -14.626 -1.597 0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 877 -14.020 -0.315 -0.137 1.00 0.00 H new ATOM 1822 N ALA A 878 -15.690 -0.586 -3.207 1.00 0.00 N ATOM 1823 CA ALA A 878 -16.073 0.351 -4.254 1.00 0.00 C ATOM 1824 C ALA A 878 -17.328 -0.121 -4.973 1.00 0.00 C ATOM 1825 O ALA A 878 -17.790 0.511 -5.923 1.00 0.00 O ATOM 1826 CB ALA A 878 -14.939 0.532 -5.248 1.00 0.00 C ATOM 0 H ALA A 878 -15.096 -1.352 -3.524 1.00 0.00 H new ATOM 0 HA ALA A 878 -16.286 1.311 -3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 878 -15.243 1.235 -6.023 1.00 0.00 H new ATOM 0 HB2 ALA A 878 -14.061 0.919 -4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 878 -14.698 -0.428 -5.704 1.00 0.00 H new ATOM 1832 N ALA A 879 -17.872 -1.236 -4.520 1.00 0.00 N ATOM 1833 CA ALA A 879 -19.070 -1.792 -5.120 1.00 0.00 C ATOM 1834 C ALA A 879 -20.196 -1.858 -4.101 1.00 0.00 C ATOM 1835 O ALA A 879 -20.014 -2.395 -3.008 1.00 0.00 O ATOM 1836 CB ALA A 879 -18.782 -3.171 -5.689 1.00 0.00 C ATOM 0 H ALA A 879 -17.502 -1.775 -3.737 1.00 0.00 H new ATOM 0 HA ALA A 879 -19.385 -1.140 -5.935 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -19.689 -3.577 -6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -18.005 -3.096 -6.450 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -18.445 -3.831 -4.890 1.00 0.00 H new ATOM 1842 N HIS A 880 -21.343 -1.288 -4.466 1.00 0.00 N ATOM 1843 CA HIS A 880 -22.545 -1.294 -3.627 1.00 0.00 C ATOM 1844 C HIS A 880 -22.336 -0.505 -2.337 1.00 0.00 C ATOM 1845 O HIS A 880 -21.775 -1.012 -1.365 1.00 0.00 O ATOM 1846 CB HIS A 880 -22.986 -2.723 -3.302 1.00 0.00 C ATOM 1847 CG HIS A 880 -24.436 -2.972 -3.578 1.00 0.00 C ATOM 1848 ND1 HIS A 880 -25.360 -3.221 -2.587 1.00 0.00 N ATOM 1849 CD2 HIS A 880 -25.121 -3.005 -4.744 1.00 0.00 C ATOM 1850 CE1 HIS A 880 -26.549 -3.399 -3.132 1.00 0.00 C ATOM 1851 NE2 HIS A 880 -26.431 -3.272 -4.440 1.00 0.00 N ATOM 0 H HIS A 880 -21.468 -0.806 -5.356 1.00 0.00 H new ATOM 0 HA HIS A 880 -23.334 -0.807 -4.199 1.00 0.00 H new ATOM 0 HB2 HIS A 880 -22.387 -3.422 -3.885 1.00 0.00 H new ATOM 0 HB3 HIS A 880 -22.783 -2.929 -2.251 1.00 0.00 H new ATOM 0 HD1 HIS A 880 -25.157 -3.261 -1.588 1.00 0.00 H new ATOM 0 HD2 HIS A 880 -24.712 -2.850 -5.731 1.00 0.00 H new ATOM 0 HE1 HIS A 880 -27.463 -3.612 -2.598 1.00 0.00 H new ATOM 1860 N PRO A 881 -22.788 0.755 -2.313 1.00 0.00 N ATOM 1861 CA PRO A 881 -22.695 1.609 -1.132 1.00 0.00 C ATOM 1862 C PRO A 881 -23.721 1.213 -0.077 1.00 0.00 C ATOM 1863 O PRO A 881 -24.795 1.812 0.019 1.00 0.00 O ATOM 1864 CB PRO A 881 -22.987 3.020 -1.666 1.00 0.00 C ATOM 1865 CG PRO A 881 -23.087 2.888 -3.154 1.00 0.00 C ATOM 1866 CD PRO A 881 -23.428 1.453 -3.430 1.00 0.00 C ATOM 0 HA PRO A 881 -21.723 1.532 -0.645 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -23.914 3.412 -1.246 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -22.193 3.714 -1.389 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -23.853 3.553 -3.552 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -22.147 3.163 -3.632 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -24.505 1.288 -3.448 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -23.039 1.121 -4.393 1.00 0.00 H new ATOM 1874 N ASP A 882 -23.400 0.183 0.691 1.00 0.00 N ATOM 1875 CA ASP A 882 -24.291 -0.297 1.742 1.00 0.00 C ATOM 1876 C ASP A 882 -23.948 0.368 3.065 1.00 0.00 C ATOM 1877 O ASP A 882 -24.745 0.371 4.003 1.00 0.00 O ATOM 1878 CB ASP A 882 -24.182 -1.818 1.890 1.00 0.00 C ATOM 1879 CG ASP A 882 -24.626 -2.567 0.649 1.00 0.00 C ATOM 1880 OD1 ASP A 882 -25.592 -2.125 -0.009 1.00 0.00 O ATOM 1881 OD2 ASP A 882 -24.018 -3.609 0.328 1.00 0.00 O ATOM 0 H ASP A 882 -22.528 -0.339 0.608 1.00 0.00 H new ATOM 0 HA ASP A 882 -25.314 -0.042 1.464 1.00 0.00 H new ATOM 0 HB2 ASP A 882 -23.149 -2.082 2.117 1.00 0.00 H new ATOM 0 HB3 ASP A 882 -24.787 -2.139 2.738 1.00 0.00 H new ATOM 1886 N SER A 883 -22.756 0.932 3.123 1.00 0.00 N ATOM 1887 CA SER A 883 -22.243 1.552 4.331 1.00 0.00 C ATOM 1888 C SER A 883 -22.902 2.902 4.591 1.00 0.00 C ATOM 1889 O SER A 883 -23.489 3.503 3.687 1.00 0.00 O ATOM 1890 CB SER A 883 -20.735 1.727 4.187 1.00 0.00 C ATOM 1891 OG SER A 883 -20.313 1.359 2.880 1.00 0.00 O ATOM 0 H SER A 883 -22.114 0.973 2.331 1.00 0.00 H new ATOM 0 HA SER A 883 -22.471 0.908 5.180 1.00 0.00 H new ATOM 0 HB2 SER A 883 -20.463 2.764 4.385 1.00 0.00 H new ATOM 0 HB3 SER A 883 -20.220 1.115 4.928 1.00 0.00 H new ATOM 0 HG SER A 883 -19.892 2.129 2.443 1.00 0.00 H new ATOM 1897 N GLU A 884 -22.816 3.366 5.831 1.00 0.00 N ATOM 1898 CA GLU A 884 -23.284 4.698 6.182 1.00 0.00 C ATOM 1899 C GLU A 884 -22.372 5.741 5.540 1.00 0.00 C ATOM 1900 O GLU A 884 -21.186 5.829 5.864 1.00 0.00 O ATOM 1901 CB GLU A 884 -23.319 4.878 7.705 1.00 0.00 C ATOM 1902 CG GLU A 884 -22.366 3.963 8.462 1.00 0.00 C ATOM 1903 CD GLU A 884 -23.068 2.781 9.103 1.00 0.00 C ATOM 1904 OE1 GLU A 884 -23.592 2.929 10.229 1.00 0.00 O ATOM 1905 OE2 GLU A 884 -23.094 1.694 8.485 1.00 0.00 O ATOM 0 H GLU A 884 -22.425 2.837 6.611 1.00 0.00 H new ATOM 0 HA GLU A 884 -24.299 4.829 5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 884 -23.077 5.914 7.943 1.00 0.00 H new ATOM 0 HB3 GLU A 884 -24.335 4.699 8.058 1.00 0.00 H new ATOM 0 HG2 GLU A 884 -21.601 3.597 7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 884 -21.855 4.538 9.234 1.00 0.00 H new ATOM 1912 N GLU A 885 -22.923 6.513 4.614 1.00 0.00 N ATOM 1913 CA GLU A 885 -22.136 7.472 3.846 1.00 0.00 C ATOM 1914 C GLU A 885 -22.274 8.877 4.416 1.00 0.00 C ATOM 1915 O GLU A 885 -21.733 9.838 3.868 1.00 0.00 O ATOM 1916 CB GLU A 885 -22.557 7.469 2.369 1.00 0.00 C ATOM 1917 CG GLU A 885 -23.783 6.620 2.065 1.00 0.00 C ATOM 1918 CD GLU A 885 -25.069 7.248 2.564 1.00 0.00 C ATOM 1919 OE1 GLU A 885 -25.648 8.089 1.844 1.00 0.00 O ATOM 1920 OE2 GLU A 885 -25.500 6.905 3.683 1.00 0.00 O ATOM 0 H GLU A 885 -23.914 6.495 4.375 1.00 0.00 H new ATOM 0 HA GLU A 885 -21.092 7.168 3.916 1.00 0.00 H new ATOM 0 HB2 GLU A 885 -22.755 8.495 2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 885 -21.723 7.109 1.767 1.00 0.00 H new ATOM 0 HG2 GLU A 885 -23.854 6.464 0.989 1.00 0.00 H new ATOM 0 HG3 GLU A 885 -23.662 5.638 2.522 1.00 0.00 H new ATOM 1927 N GLN A 886 -22.997 8.997 5.515 1.00 0.00 N ATOM 1928 CA GLN A 886 -23.215 10.291 6.139 1.00 0.00 C ATOM 1929 C GLN A 886 -22.357 10.432 7.387 1.00 0.00 C ATOM 1930 O GLN A 886 -21.872 9.444 7.941 1.00 0.00 O ATOM 1931 CB GLN A 886 -24.690 10.478 6.490 1.00 0.00 C ATOM 1932 CG GLN A 886 -25.634 10.129 5.353 1.00 0.00 C ATOM 1933 CD GLN A 886 -26.879 9.411 5.829 1.00 0.00 C ATOM 1934 OE1 GLN A 886 -27.636 9.928 6.648 1.00 0.00 O ATOM 1935 NE2 GLN A 886 -27.104 8.214 5.317 1.00 0.00 N ATOM 0 H GLN A 886 -23.443 8.215 5.994 1.00 0.00 H new ATOM 0 HA GLN A 886 -22.927 11.065 5.428 1.00 0.00 H new ATOM 0 HB2 GLN A 886 -24.931 9.859 7.354 1.00 0.00 H new ATOM 0 HB3 GLN A 886 -24.856 11.514 6.784 1.00 0.00 H new ATOM 0 HG2 GLN A 886 -25.922 11.042 4.832 1.00 0.00 H new ATOM 0 HG3 GLN A 886 -25.111 9.502 4.631 1.00 0.00 H new ATOM 0 HE21 GLN A 886 -26.452 7.818 4.639 1.00 0.00 H new ATOM 0 HE22 GLN A 886 -27.930 7.686 5.599 1.00 0.00 H new ATOM 1944 N GLN A 887 -22.181 11.663 7.833 1.00 0.00 N ATOM 1945 CA GLN A 887 -21.351 11.948 8.992 1.00 0.00 C ATOM 1946 C GLN A 887 -22.156 11.804 10.278 1.00 0.00 C ATOM 1947 O GLN A 887 -22.218 12.723 11.097 1.00 0.00 O ATOM 1948 CB GLN A 887 -20.763 13.356 8.885 1.00 0.00 C ATOM 1949 CG GLN A 887 -19.787 13.524 7.729 1.00 0.00 C ATOM 1950 CD GLN A 887 -18.781 12.394 7.644 1.00 0.00 C ATOM 1951 OE1 GLN A 887 -18.929 11.473 6.839 1.00 0.00 O ATOM 1952 NE2 GLN A 887 -17.753 12.458 8.475 1.00 0.00 N ATOM 0 H GLN A 887 -22.605 12.487 7.407 1.00 0.00 H new ATOM 0 HA GLN A 887 -20.534 11.227 9.019 1.00 0.00 H new ATOM 0 HB2 GLN A 887 -21.576 14.072 8.769 1.00 0.00 H new ATOM 0 HB3 GLN A 887 -20.254 13.600 9.817 1.00 0.00 H new ATOM 0 HG2 GLN A 887 -20.344 13.580 6.794 1.00 0.00 H new ATOM 0 HG3 GLN A 887 -19.257 14.470 7.841 1.00 0.00 H new ATOM 0 HE21 GLN A 887 -17.671 13.240 9.125 1.00 0.00 H new ATOM 0 HE22 GLN A 887 -17.043 11.726 8.465 1.00 0.00 H new ATOM 1961 N GLN A 888 -22.763 10.639 10.455 1.00 0.00 N ATOM 1962 CA GLN A 888 -23.588 10.370 11.625 1.00 0.00 C ATOM 1963 C GLN A 888 -22.788 9.620 12.684 1.00 0.00 C ATOM 1964 O GLN A 888 -23.307 8.739 13.371 1.00 0.00 O ATOM 1965 CB GLN A 888 -24.835 9.569 11.229 1.00 0.00 C ATOM 1966 CG GLN A 888 -24.530 8.275 10.488 1.00 0.00 C ATOM 1967 CD GLN A 888 -25.250 8.175 9.158 1.00 0.00 C ATOM 1968 OE1 GLN A 888 -24.665 7.769 8.155 1.00 0.00 O ATOM 1969 NE2 GLN A 888 -26.520 8.542 9.140 1.00 0.00 N ATOM 0 H GLN A 888 -22.699 9.860 9.799 1.00 0.00 H new ATOM 0 HA GLN A 888 -23.908 11.323 12.046 1.00 0.00 H new ATOM 0 HB2 GLN A 888 -25.405 9.335 12.128 1.00 0.00 H new ATOM 0 HB3 GLN A 888 -25.471 10.193 10.602 1.00 0.00 H new ATOM 0 HG2 GLN A 888 -23.455 8.202 10.320 1.00 0.00 H new ATOM 0 HG3 GLN A 888 -24.813 7.428 11.113 1.00 0.00 H new ATOM 0 HE21 GLN A 888 -26.967 8.873 9.995 1.00 0.00 H new ATOM 0 HE22 GLN A 888 -27.052 8.494 8.271 1.00 0.00 H new ATOM 1978 N ARG A 889 -21.519 9.974 12.811 1.00 0.00 N ATOM 1979 CA ARG A 889 -20.641 9.330 13.772 1.00 0.00 C ATOM 1980 C ARG A 889 -20.762 10.002 15.133 1.00 0.00 C ATOM 1981 O ARG A 889 -21.441 11.048 15.219 1.00 0.00 O ATOM 1982 CB ARG A 889 -19.191 9.376 13.284 1.00 0.00 C ATOM 1983 CG ARG A 889 -18.511 8.016 13.268 1.00 0.00 C ATOM 1984 CD ARG A 889 -18.862 7.229 12.014 1.00 0.00 C ATOM 1985 NE ARG A 889 -18.068 7.651 10.860 1.00 0.00 N ATOM 1986 CZ ARG A 889 -18.552 7.792 9.625 1.00 0.00 C ATOM 1987 NH1 ARG A 889 -19.835 7.548 9.370 1.00 0.00 N ATOM 1988 NH2 ARG A 889 -17.752 8.166 8.637 1.00 0.00 N ATOM 1989 OXT ARG A 889 -20.192 9.478 16.110 1.00 0.00 O ATOM 0 H ARG A 889 -21.074 10.706 12.258 1.00 0.00 H new ATOM 0 HA ARG A 889 -20.941 8.287 13.871 1.00 0.00 H new ATOM 0 HB2 ARG A 889 -19.168 9.796 12.279 1.00 0.00 H new ATOM 0 HB3 ARG A 889 -18.622 10.050 13.924 1.00 0.00 H new ATOM 0 HG2 ARG A 889 -17.431 8.148 13.325 1.00 0.00 H new ATOM 0 HG3 ARG A 889 -18.810 7.449 14.150 1.00 0.00 H new ATOM 0 HD2 ARG A 889 -18.700 6.167 12.196 1.00 0.00 H new ATOM 0 HD3 ARG A 889 -19.921 7.356 11.791 1.00 0.00 H new ATOM 0 HE ARG A 889 -17.079 7.851 11.010 1.00 0.00 H new ATOM 0 HH11 ARG A 889 -20.457 7.251 10.122 1.00 0.00 H new ATOM 0 HH12 ARG A 889 -20.197 7.658 8.423 1.00 0.00 H new ATOM 0 HH21 ARG A 889 -16.765 8.346 8.820 1.00 0.00 H new ATOM 0 HH22 ARG A 889 -18.123 8.273 7.693 1.00 0.00 H new TER 2003 ARG A 889