USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 996 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 833 THR OG1 : rot -173:sc= 0.695 USER MOD Set 1.2: A 867 THR OG1 : rot 67:sc= 0.637 USER MOD Set 2.1: A 811 ASN : amide:sc=-0.00701 K(o=1.2,f=-0.32!) USER MOD Set 2.2: A 825 GLN : amide:sc= 1.23 K(o=1.2,f=-2.8!) USER MOD Set 3.1: A 788 HIS : no HE2:sc= 0.892 K(o=-0.23,f=-7.5!) USER MOD Set 3.2: A 790 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 852 ASN : amide:sc= -1.13 K(o=-0.23,f=-5.1) USER MOD Single : A 752 SER OG : rot 180:sc= 0.0724 USER MOD Single : A 753 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 754 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 755 GLN : amide:sc= -3.46! K(o=-3.5!,f=-0.39) USER MOD Single : A 758 THR OG1 : rot 72:sc= 0.117 USER MOD Single : A 762 GLN : amide:sc= 1.1 K(o=1.1,f=-0.36) USER MOD Single : A 772 THR OG1 : rot 92:sc= 1.24 USER MOD Single : A 775 THR OG1 : rot 80:sc= 1.06 USER MOD Single : A 776 GLN : amide:sc= -0.0576 X(o=-0.058,f=-0.037) USER MOD Single : A 779 ASN : amide:sc= 0.648 K(o=0.65,f=0) USER MOD Single : A 783 GLN : amide:sc= -0.179 K(o=-0.18,f=-2.6!) USER MOD Single : A 784 HIS : no HE2:sc= -2.15 K(o=-2.2,f=-3.3) USER MOD Single : A 786 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 798 TYR OH : rot 1:sc= 1.2 USER MOD Single : A 800 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 802 THR OG1 : rot 47:sc= 0.121 USER MOD Single : A 804 THR OG1 : rot 78:sc= 0.894 USER MOD Single : A 807 THR OG1 : rot 91:sc= 1.24 USER MOD Single : A 809 THR OG1 : rot 80:sc= 1.06 USER MOD Single : A 814 SER OG : rot 180:sc= 0.119 USER MOD Single : A 815 SER OG : rot 77:sc= 1.13 USER MOD Single : A 816 MET CE :methyl 159:sc= -0.0273 (180deg=-0.345) USER MOD Single : A 822 MET CE :methyl 160:sc= -0.137 (180deg=-1.35) USER MOD Single : A 831 GLN : amide:sc= -0.0293 K(o=-0.029,f=-1.2!) USER MOD Single : A 834 SER OG : rot 80:sc= 1.25 USER MOD Single : A 838 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 841 LYS NZ :NH3+ 179:sc= 0.915 (180deg=0.88) USER MOD Single : A 848 SER OG : rot 180:sc= 0.203 USER MOD Single : A 853 SER OG : rot 180:sc= -0.0643 USER MOD Single : A 855 LYS NZ :NH3+ 170:sc= 1.27 (180deg=0.854) USER MOD Single : A 858 SER OG : rot 100:sc= 1.26 USER MOD Single : A 861 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 LYS NZ :NH3+ -155:sc= -0.389 (180deg=-1.57!) USER MOD Single : A 870 MET CE :methyl 167:sc= -3.52! (180deg=-3.66!) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 880 HIS : no HD1:sc= -3.24! K(o=-3.2!,f=-0.33) USER MOD Single : A 883 SER OG : rot -150:sc= 0.206 USER MOD Single : A 886 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 887 GLN : amide:sc= -0.0186 X(o=-0.019,f=0.03) USER MOD Single : A 888 GLN : amide:sc= 0.279 X(o=0.28,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 751 -16.722 -12.067 -12.764 1.00 0.00 N ATOM 2 CA GLY A 751 -15.505 -12.150 -13.602 1.00 0.00 C ATOM 3 C GLY A 751 -15.365 -13.511 -14.246 1.00 0.00 C ATOM 4 O GLY A 751 -15.916 -14.493 -13.748 1.00 0.00 O ATOM 0 HA2 GLY A 751 -15.542 -11.383 -14.375 1.00 0.00 H new ATOM 0 HA3 GLY A 751 -14.627 -11.944 -12.990 1.00 0.00 H new ATOM 10 N SER A 752 -14.637 -13.573 -15.352 1.00 0.00 N ATOM 11 CA SER A 752 -14.441 -14.825 -16.072 1.00 0.00 C ATOM 12 C SER A 752 -13.588 -15.792 -15.255 1.00 0.00 C ATOM 13 O SER A 752 -13.916 -16.972 -15.125 1.00 0.00 O ATOM 14 CB SER A 752 -13.785 -14.540 -17.422 1.00 0.00 C ATOM 15 OG SER A 752 -14.038 -13.202 -17.825 1.00 0.00 O ATOM 0 H SER A 752 -14.171 -12.769 -15.772 1.00 0.00 H new ATOM 0 HA SER A 752 -15.411 -15.293 -16.237 1.00 0.00 H new ATOM 0 HB2 SER A 752 -12.710 -14.708 -17.354 1.00 0.00 H new ATOM 0 HB3 SER A 752 -14.169 -15.231 -18.173 1.00 0.00 H new ATOM 0 HG SER A 752 -13.610 -13.035 -18.690 1.00 0.00 H new ATOM 21 N HIS A 753 -12.501 -15.281 -14.701 1.00 0.00 N ATOM 22 CA HIS A 753 -11.615 -16.083 -13.869 1.00 0.00 C ATOM 23 C HIS A 753 -11.615 -15.549 -12.443 1.00 0.00 C ATOM 24 O HIS A 753 -11.349 -16.280 -11.491 1.00 0.00 O ATOM 25 CB HIS A 753 -10.194 -16.076 -14.439 1.00 0.00 C ATOM 26 CG HIS A 753 -9.395 -17.288 -14.072 1.00 0.00 C ATOM 27 ND1 HIS A 753 -9.652 -18.543 -14.581 1.00 0.00 N ATOM 28 CD2 HIS A 753 -8.337 -17.431 -13.242 1.00 0.00 C ATOM 29 CE1 HIS A 753 -8.787 -19.403 -14.078 1.00 0.00 C ATOM 30 NE2 HIS A 753 -7.979 -18.754 -13.264 1.00 0.00 N ATOM 0 H HIS A 753 -12.209 -14.310 -14.812 1.00 0.00 H new ATOM 0 HA HIS A 753 -11.978 -17.111 -13.861 1.00 0.00 H new ATOM 0 HB2 HIS A 753 -10.248 -16.002 -15.525 1.00 0.00 H new ATOM 0 HB3 HIS A 753 -9.673 -15.187 -14.084 1.00 0.00 H new ATOM 0 HD2 HIS A 753 -7.862 -16.648 -12.669 1.00 0.00 H new ATOM 0 HE1 HIS A 753 -8.748 -20.460 -14.296 1.00 0.00 H new ATOM 0 HE2 HIS A 753 -7.211 -19.169 -12.736 1.00 0.00 H new ATOM 39 N MET A 754 -11.907 -14.261 -12.313 1.00 0.00 N ATOM 40 CA MET A 754 -12.019 -13.624 -11.010 1.00 0.00 C ATOM 41 C MET A 754 -13.363 -13.966 -10.376 1.00 0.00 C ATOM 42 O MET A 754 -14.412 -13.782 -10.995 1.00 0.00 O ATOM 43 CB MET A 754 -11.864 -12.104 -11.150 1.00 0.00 C ATOM 44 CG MET A 754 -12.385 -11.312 -9.960 1.00 0.00 C ATOM 45 SD MET A 754 -11.067 -10.493 -9.040 1.00 0.00 S ATOM 46 CE MET A 754 -11.990 -9.840 -7.649 1.00 0.00 C ATOM 0 H MET A 754 -12.071 -13.635 -13.101 1.00 0.00 H new ATOM 0 HA MET A 754 -11.224 -13.996 -10.364 1.00 0.00 H new ATOM 0 HB2 MET A 754 -10.809 -11.869 -11.295 1.00 0.00 H new ATOM 0 HB3 MET A 754 -12.389 -11.778 -12.048 1.00 0.00 H new ATOM 0 HG2 MET A 754 -13.097 -10.565 -10.310 1.00 0.00 H new ATOM 0 HG3 MET A 754 -12.927 -11.981 -9.292 1.00 0.00 H new ATOM 0 HE1 MET A 754 -11.314 -9.303 -6.983 1.00 0.00 H new ATOM 0 HE2 MET A 754 -12.760 -9.159 -8.011 1.00 0.00 H new ATOM 0 HE3 MET A 754 -12.458 -10.661 -7.106 1.00 0.00 H new ATOM 56 N GLN A 755 -13.323 -14.468 -9.151 1.00 0.00 N ATOM 57 CA GLN A 755 -14.535 -14.863 -8.442 1.00 0.00 C ATOM 58 C GLN A 755 -15.271 -13.643 -7.890 1.00 0.00 C ATOM 59 O GLN A 755 -14.870 -12.500 -8.125 1.00 0.00 O ATOM 60 CB GLN A 755 -14.190 -15.818 -7.297 1.00 0.00 C ATOM 61 CG GLN A 755 -14.072 -17.271 -7.728 1.00 0.00 C ATOM 62 CD GLN A 755 -12.637 -17.759 -7.764 1.00 0.00 C ATOM 63 OE1 GLN A 755 -12.347 -18.828 -8.298 1.00 0.00 O ATOM 64 NE2 GLN A 755 -11.728 -16.989 -7.184 1.00 0.00 N ATOM 0 H GLN A 755 -12.462 -14.613 -8.624 1.00 0.00 H new ATOM 0 HA GLN A 755 -15.189 -15.370 -9.152 1.00 0.00 H new ATOM 0 HB2 GLN A 755 -13.249 -15.505 -6.845 1.00 0.00 H new ATOM 0 HB3 GLN A 755 -14.956 -15.738 -6.526 1.00 0.00 H new ATOM 0 HG2 GLN A 755 -14.646 -17.896 -7.044 1.00 0.00 H new ATOM 0 HG3 GLN A 755 -14.516 -17.389 -8.716 1.00 0.00 H new ATOM 0 HE21 GLN A 755 -12.007 -16.108 -6.751 1.00 0.00 H new ATOM 0 HE22 GLN A 755 -10.750 -17.277 -7.170 1.00 0.00 H new ATOM 73 N ALA A 756 -16.341 -13.889 -7.151 1.00 0.00 N ATOM 74 CA ALA A 756 -17.107 -12.816 -6.537 1.00 0.00 C ATOM 75 C ALA A 756 -17.182 -13.019 -5.031 1.00 0.00 C ATOM 76 O ALA A 756 -17.625 -14.065 -4.555 1.00 0.00 O ATOM 77 CB ALA A 756 -18.503 -12.745 -7.138 1.00 0.00 C ATOM 0 H ALA A 756 -16.700 -14.825 -6.961 1.00 0.00 H new ATOM 0 HA ALA A 756 -16.602 -11.870 -6.735 1.00 0.00 H new ATOM 0 HB1 ALA A 756 -19.061 -11.936 -6.666 1.00 0.00 H new ATOM 0 HB2 ALA A 756 -18.429 -12.558 -8.209 1.00 0.00 H new ATOM 0 HB3 ALA A 756 -19.020 -13.690 -6.969 1.00 0.00 H new ATOM 83 N ALA A 757 -16.737 -12.022 -4.284 1.00 0.00 N ATOM 84 CA ALA A 757 -16.705 -12.112 -2.835 1.00 0.00 C ATOM 85 C ALA A 757 -17.871 -11.353 -2.221 1.00 0.00 C ATOM 86 O ALA A 757 -18.278 -10.305 -2.725 1.00 0.00 O ATOM 87 CB ALA A 757 -15.385 -11.580 -2.301 1.00 0.00 C ATOM 0 H ALA A 757 -16.392 -11.139 -4.659 1.00 0.00 H new ATOM 0 HA ALA A 757 -16.797 -13.162 -2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -15.376 -11.654 -1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -14.563 -12.167 -2.711 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -15.268 -10.537 -2.595 1.00 0.00 H new ATOM 93 N THR A 758 -18.416 -11.895 -1.145 1.00 0.00 N ATOM 94 CA THR A 758 -19.501 -11.250 -0.431 1.00 0.00 C ATOM 95 C THR A 758 -18.975 -10.095 0.411 1.00 0.00 C ATOM 96 O THR A 758 -18.075 -10.273 1.238 1.00 0.00 O ATOM 97 CB THR A 758 -20.223 -12.254 0.476 1.00 0.00 C ATOM 98 OG1 THR A 758 -19.524 -13.507 0.450 1.00 0.00 O ATOM 99 CG2 THR A 758 -21.661 -12.457 0.023 1.00 0.00 C ATOM 0 H THR A 758 -18.121 -12.786 -0.746 1.00 0.00 H new ATOM 0 HA THR A 758 -20.205 -10.864 -1.168 1.00 0.00 H new ATOM 0 HB THR A 758 -20.237 -11.860 1.492 1.00 0.00 H new ATOM 0 HG1 THR A 758 -18.681 -13.421 0.942 1.00 0.00 H new ATOM 0 HG21 THR A 758 -22.152 -13.173 0.682 1.00 0.00 H new ATOM 0 HG22 THR A 758 -22.192 -11.506 0.061 1.00 0.00 H new ATOM 0 HG23 THR A 758 -21.670 -12.838 -0.998 1.00 0.00 H new ATOM 107 N GLU A 759 -19.522 -8.913 0.190 1.00 0.00 N ATOM 108 CA GLU A 759 -19.096 -7.734 0.921 1.00 0.00 C ATOM 109 C GLU A 759 -20.092 -7.395 2.026 1.00 0.00 C ATOM 110 O GLU A 759 -21.191 -7.950 2.080 1.00 0.00 O ATOM 111 CB GLU A 759 -18.939 -6.548 -0.031 1.00 0.00 C ATOM 112 CG GLU A 759 -17.526 -5.990 -0.075 1.00 0.00 C ATOM 113 CD GLU A 759 -17.266 -4.983 1.025 1.00 0.00 C ATOM 114 OE1 GLU A 759 -17.435 -5.335 2.212 1.00 0.00 O ATOM 115 OE2 GLU A 759 -16.899 -3.836 0.712 1.00 0.00 O ATOM 0 H GLU A 759 -20.263 -8.744 -0.491 1.00 0.00 H new ATOM 0 HA GLU A 759 -18.131 -7.946 1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 759 -19.231 -6.857 -1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -19.625 -5.756 0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -16.812 -6.809 0.011 1.00 0.00 H new ATOM 0 HG3 GLU A 759 -17.355 -5.518 -1.043 1.00 0.00 H new ATOM 122 N ASP A 760 -19.692 -6.493 2.904 1.00 0.00 N ATOM 123 CA ASP A 760 -20.537 -6.039 4.000 1.00 0.00 C ATOM 124 C ASP A 760 -20.516 -4.517 4.069 1.00 0.00 C ATOM 125 O ASP A 760 -21.229 -3.898 4.860 1.00 0.00 O ATOM 126 CB ASP A 760 -20.043 -6.632 5.324 1.00 0.00 C ATOM 127 CG ASP A 760 -21.016 -6.416 6.466 1.00 0.00 C ATOM 128 OD1 ASP A 760 -22.242 -6.544 6.246 1.00 0.00 O ATOM 129 OD2 ASP A 760 -20.561 -6.132 7.597 1.00 0.00 O ATOM 0 H ASP A 760 -18.772 -6.053 2.880 1.00 0.00 H new ATOM 0 HA ASP A 760 -21.559 -6.374 3.825 1.00 0.00 H new ATOM 0 HB2 ASP A 760 -19.872 -7.701 5.196 1.00 0.00 H new ATOM 0 HB3 ASP A 760 -19.083 -6.184 5.581 1.00 0.00 H new ATOM 134 N GLY A 761 -19.695 -3.916 3.218 1.00 0.00 N ATOM 135 CA GLY A 761 -19.535 -2.480 3.228 1.00 0.00 C ATOM 136 C GLY A 761 -18.429 -2.067 4.168 1.00 0.00 C ATOM 137 O GLY A 761 -18.570 -1.109 4.930 1.00 0.00 O ATOM 0 H GLY A 761 -19.135 -4.403 2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 761 -19.312 -2.128 2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 761 -20.470 -2.008 3.531 1.00 0.00 H new ATOM 141 N GLN A 762 -17.325 -2.801 4.112 1.00 0.00 N ATOM 142 CA GLN A 762 -16.202 -2.581 5.015 1.00 0.00 C ATOM 143 C GLN A 762 -15.363 -1.378 4.577 1.00 0.00 C ATOM 144 O GLN A 762 -14.169 -1.500 4.287 1.00 0.00 O ATOM 145 CB GLN A 762 -15.335 -3.845 5.112 1.00 0.00 C ATOM 146 CG GLN A 762 -14.818 -4.352 3.775 1.00 0.00 C ATOM 147 CD GLN A 762 -14.429 -5.813 3.816 1.00 0.00 C ATOM 148 OE1 GLN A 762 -13.418 -6.183 4.410 1.00 0.00 O ATOM 149 NE2 GLN A 762 -15.233 -6.655 3.191 1.00 0.00 N ATOM 0 H GLN A 762 -17.183 -3.560 3.445 1.00 0.00 H new ATOM 0 HA GLN A 762 -16.604 -2.360 6.004 1.00 0.00 H new ATOM 0 HB2 GLN A 762 -14.485 -3.640 5.763 1.00 0.00 H new ATOM 0 HB3 GLN A 762 -15.917 -4.635 5.587 1.00 0.00 H new ATOM 0 HG2 GLN A 762 -15.585 -4.206 3.014 1.00 0.00 H new ATOM 0 HG3 GLN A 762 -13.954 -3.758 3.475 1.00 0.00 H new ATOM 0 HE21 GLN A 762 -16.062 -6.307 2.710 1.00 0.00 H new ATOM 0 HE22 GLN A 762 -15.024 -7.653 3.190 1.00 0.00 H new ATOM 158 N LEU A 763 -15.998 -0.214 4.550 1.00 0.00 N ATOM 159 CA LEU A 763 -15.335 1.023 4.156 1.00 0.00 C ATOM 160 C LEU A 763 -14.201 1.358 5.118 1.00 0.00 C ATOM 161 O LEU A 763 -13.070 1.593 4.703 1.00 0.00 O ATOM 162 CB LEU A 763 -16.345 2.175 4.112 1.00 0.00 C ATOM 163 CG LEU A 763 -16.578 2.791 2.730 1.00 0.00 C ATOM 164 CD1 LEU A 763 -15.296 3.409 2.195 1.00 0.00 C ATOM 165 CD2 LEU A 763 -17.115 1.749 1.760 1.00 0.00 C ATOM 0 H LEU A 763 -16.981 -0.100 4.799 1.00 0.00 H new ATOM 0 HA LEU A 763 -14.913 0.883 3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 763 -17.299 1.814 4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 763 -16.006 2.960 4.788 1.00 0.00 H new ATOM 0 HG LEU A 763 -17.323 3.580 2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 763 -15.483 3.841 1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 763 -14.957 4.189 2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 763 -14.528 2.640 2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 763 -17.274 2.208 0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 763 -16.396 0.935 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 763 -18.061 1.357 2.134 1.00 0.00 H new ATOM 177 N LEU A 764 -14.503 1.371 6.405 1.00 0.00 N ATOM 178 CA LEU A 764 -13.499 1.689 7.408 1.00 0.00 C ATOM 179 C LEU A 764 -12.785 0.431 7.892 1.00 0.00 C ATOM 180 O LEU A 764 -11.668 0.502 8.402 1.00 0.00 O ATOM 181 CB LEU A 764 -14.139 2.418 8.590 1.00 0.00 C ATOM 182 CG LEU A 764 -13.599 3.824 8.857 1.00 0.00 C ATOM 183 CD1 LEU A 764 -14.659 4.685 9.523 1.00 0.00 C ATOM 184 CD2 LEU A 764 -12.344 3.760 9.717 1.00 0.00 C ATOM 0 H LEU A 764 -15.429 1.166 6.779 1.00 0.00 H new ATOM 0 HA LEU A 764 -12.760 2.343 6.946 1.00 0.00 H new ATOM 0 HB2 LEU A 764 -15.213 2.485 8.416 1.00 0.00 H new ATOM 0 HB3 LEU A 764 -13.998 1.815 9.487 1.00 0.00 H new ATOM 0 HG LEU A 764 -13.338 4.279 7.902 1.00 0.00 H new ATOM 0 HD11 LEU A 764 -14.257 5.682 9.705 1.00 0.00 H new ATOM 0 HD12 LEU A 764 -15.530 4.759 8.872 1.00 0.00 H new ATOM 0 HD13 LEU A 764 -14.952 4.233 10.471 1.00 0.00 H new ATOM 0 HD21 LEU A 764 -11.974 4.769 9.897 1.00 0.00 H new ATOM 0 HD22 LEU A 764 -12.579 3.285 10.669 1.00 0.00 H new ATOM 0 HD23 LEU A 764 -11.579 3.180 9.201 1.00 0.00 H new ATOM 196 N ARG A 765 -13.430 -0.717 7.734 1.00 0.00 N ATOM 197 CA ARG A 765 -12.852 -1.975 8.188 1.00 0.00 C ATOM 198 C ARG A 765 -11.801 -2.483 7.209 1.00 0.00 C ATOM 199 O ARG A 765 -10.613 -2.510 7.526 1.00 0.00 O ATOM 200 CB ARG A 765 -13.944 -3.031 8.371 1.00 0.00 C ATOM 201 CG ARG A 765 -13.723 -3.932 9.572 1.00 0.00 C ATOM 202 CD ARG A 765 -13.348 -5.342 9.148 1.00 0.00 C ATOM 203 NE ARG A 765 -11.905 -5.573 9.221 1.00 0.00 N ATOM 204 CZ ARG A 765 -11.279 -6.578 8.605 1.00 0.00 C ATOM 205 NH1 ARG A 765 -11.966 -7.436 7.857 1.00 0.00 N ATOM 206 NH2 ARG A 765 -9.966 -6.728 8.741 1.00 0.00 N ATOM 0 H ARG A 765 -14.348 -0.804 7.298 1.00 0.00 H new ATOM 0 HA ARG A 765 -12.369 -1.791 9.147 1.00 0.00 H new ATOM 0 HB2 ARG A 765 -14.907 -2.531 8.475 1.00 0.00 H new ATOM 0 HB3 ARG A 765 -13.998 -3.645 7.472 1.00 0.00 H new ATOM 0 HG2 ARG A 765 -12.934 -3.517 10.199 1.00 0.00 H new ATOM 0 HG3 ARG A 765 -14.629 -3.962 10.178 1.00 0.00 H new ATOM 0 HD2 ARG A 765 -13.863 -6.061 9.786 1.00 0.00 H new ATOM 0 HD3 ARG A 765 -13.692 -5.517 8.129 1.00 0.00 H new ATOM 0 HE ARG A 765 -11.344 -4.927 9.776 1.00 0.00 H new ATOM 0 HH11 ARG A 765 -12.975 -7.327 7.752 1.00 0.00 H new ATOM 0 HH12 ARG A 765 -11.484 -8.203 7.388 1.00 0.00 H new ATOM 0 HH21 ARG A 765 -9.435 -6.075 9.317 1.00 0.00 H new ATOM 0 HH22 ARG A 765 -9.489 -7.497 8.270 1.00 0.00 H new ATOM 220 N GLY A 766 -12.238 -2.855 6.011 1.00 0.00 N ATOM 221 CA GLY A 766 -11.335 -3.427 5.031 1.00 0.00 C ATOM 222 C GLY A 766 -10.353 -2.413 4.496 1.00 0.00 C ATOM 223 O GLY A 766 -9.140 -2.601 4.596 1.00 0.00 O ATOM 0 H GLY A 766 -13.206 -2.770 5.701 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -10.789 -4.255 5.483 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -11.914 -3.840 4.205 1.00 0.00 H new ATOM 227 N VAL A 767 -10.877 -1.326 3.940 1.00 0.00 N ATOM 228 CA VAL A 767 -10.036 -0.273 3.386 1.00 0.00 C ATOM 229 C VAL A 767 -9.150 0.327 4.468 1.00 0.00 C ATOM 230 O VAL A 767 -7.976 0.598 4.240 1.00 0.00 O ATOM 231 CB VAL A 767 -10.867 0.853 2.742 1.00 0.00 C ATOM 232 CG1 VAL A 767 -10.002 1.699 1.820 1.00 0.00 C ATOM 233 CG2 VAL A 767 -12.060 0.283 1.992 1.00 0.00 C ATOM 0 H VAL A 767 -11.879 -1.152 3.861 1.00 0.00 H new ATOM 0 HA VAL A 767 -9.422 -0.735 2.613 1.00 0.00 H new ATOM 0 HB VAL A 767 -11.244 1.495 3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 767 -10.608 2.488 1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 767 -9.188 2.145 2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 767 -9.589 1.071 1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 767 -12.632 1.097 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 767 -11.710 -0.387 1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 767 -12.695 -0.269 2.685 1.00 0.00 H new ATOM 243 N GLY A 768 -9.721 0.514 5.651 1.00 0.00 N ATOM 244 CA GLY A 768 -8.970 1.070 6.760 1.00 0.00 C ATOM 245 C GLY A 768 -7.791 0.202 7.152 1.00 0.00 C ATOM 246 O GLY A 768 -6.664 0.689 7.254 1.00 0.00 O ATOM 0 H GLY A 768 -10.693 0.290 5.863 1.00 0.00 H new ATOM 0 HA2 GLY A 768 -8.612 2.064 6.491 1.00 0.00 H new ATOM 0 HA3 GLY A 768 -9.631 1.190 7.619 1.00 0.00 H new ATOM 250 N ALA A 769 -8.047 -1.086 7.351 1.00 0.00 N ATOM 251 CA ALA A 769 -7.001 -2.029 7.730 1.00 0.00 C ATOM 252 C ALA A 769 -5.942 -2.138 6.641 1.00 0.00 C ATOM 253 O ALA A 769 -4.742 -2.120 6.922 1.00 0.00 O ATOM 254 CB ALA A 769 -7.598 -3.398 8.017 1.00 0.00 C ATOM 0 H ALA A 769 -8.973 -1.502 7.256 1.00 0.00 H new ATOM 0 HA ALA A 769 -6.524 -1.654 8.636 1.00 0.00 H new ATOM 0 HB1 ALA A 769 -6.804 -4.090 8.298 1.00 0.00 H new ATOM 0 HB2 ALA A 769 -8.316 -3.318 8.834 1.00 0.00 H new ATOM 0 HB3 ALA A 769 -8.103 -3.769 7.125 1.00 0.00 H new ATOM 260 N ALA A 770 -6.396 -2.237 5.399 1.00 0.00 N ATOM 261 CA ALA A 770 -5.502 -2.373 4.260 1.00 0.00 C ATOM 262 C ALA A 770 -4.647 -1.123 4.072 1.00 0.00 C ATOM 263 O ALA A 770 -3.429 -1.213 3.913 1.00 0.00 O ATOM 264 CB ALA A 770 -6.304 -2.667 3.004 1.00 0.00 C ATOM 0 H ALA A 770 -7.386 -2.225 5.155 1.00 0.00 H new ATOM 0 HA ALA A 770 -4.827 -3.207 4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 770 -5.627 -2.767 2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 770 -6.860 -3.595 3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 770 -7.001 -1.850 2.818 1.00 0.00 H new ATOM 270 N ALA A 771 -5.288 0.040 4.104 1.00 0.00 N ATOM 271 CA ALA A 771 -4.589 1.308 3.944 1.00 0.00 C ATOM 272 C ALA A 771 -3.565 1.507 5.058 1.00 0.00 C ATOM 273 O ALA A 771 -2.438 1.943 4.813 1.00 0.00 O ATOM 274 CB ALA A 771 -5.582 2.460 3.921 1.00 0.00 C ATOM 0 H ALA A 771 -6.295 0.130 4.240 1.00 0.00 H new ATOM 0 HA ALA A 771 -4.057 1.288 2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 771 -5.045 3.401 3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 771 -6.273 2.328 3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 771 -6.140 2.478 4.857 1.00 0.00 H new ATOM 280 N THR A 772 -3.960 1.171 6.281 1.00 0.00 N ATOM 281 CA THR A 772 -3.057 1.259 7.419 1.00 0.00 C ATOM 282 C THR A 772 -1.873 0.315 7.234 1.00 0.00 C ATOM 283 O THR A 772 -0.733 0.679 7.512 1.00 0.00 O ATOM 284 CB THR A 772 -3.782 0.932 8.743 1.00 0.00 C ATOM 285 OG1 THR A 772 -4.927 1.783 8.896 1.00 0.00 O ATOM 286 CG2 THR A 772 -2.853 1.110 9.936 1.00 0.00 C ATOM 0 H THR A 772 -4.896 0.836 6.508 1.00 0.00 H new ATOM 0 HA THR A 772 -2.695 2.286 7.472 1.00 0.00 H new ATOM 0 HB THR A 772 -4.100 -0.110 8.706 1.00 0.00 H new ATOM 0 HG1 THR A 772 -5.715 1.342 8.515 1.00 0.00 H new ATOM 0 HG21 THR A 772 -3.390 0.873 10.854 1.00 0.00 H new ATOM 0 HG22 THR A 772 -1.997 0.443 9.834 1.00 0.00 H new ATOM 0 HG23 THR A 772 -2.505 2.142 9.975 1.00 0.00 H new ATOM 294 N ALA A 773 -2.149 -0.882 6.723 1.00 0.00 N ATOM 295 CA ALA A 773 -1.112 -1.880 6.500 1.00 0.00 C ATOM 296 C ALA A 773 -0.052 -1.363 5.533 1.00 0.00 C ATOM 297 O ALA A 773 1.142 -1.532 5.767 1.00 0.00 O ATOM 298 CB ALA A 773 -1.724 -3.173 5.980 1.00 0.00 C ATOM 0 H ALA A 773 -3.086 -1.183 6.455 1.00 0.00 H new ATOM 0 HA ALA A 773 -0.626 -2.083 7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 773 -0.936 -3.909 5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 773 -2.436 -3.558 6.710 1.00 0.00 H new ATOM 0 HB3 ALA A 773 -2.238 -2.979 5.039 1.00 0.00 H new ATOM 304 N VAL A 774 -0.492 -0.715 4.458 1.00 0.00 N ATOM 305 CA VAL A 774 0.429 -0.152 3.475 1.00 0.00 C ATOM 306 C VAL A 774 1.252 0.971 4.091 1.00 0.00 C ATOM 307 O VAL A 774 2.477 0.984 3.988 1.00 0.00 O ATOM 308 CB VAL A 774 -0.317 0.386 2.238 1.00 0.00 C ATOM 309 CG1 VAL A 774 0.652 1.020 1.249 1.00 0.00 C ATOM 310 CG2 VAL A 774 -1.101 -0.728 1.574 1.00 0.00 C ATOM 0 H VAL A 774 -1.479 -0.567 4.246 1.00 0.00 H new ATOM 0 HA VAL A 774 1.090 -0.959 3.158 1.00 0.00 H new ATOM 0 HB VAL A 774 -1.013 1.157 2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 774 0.100 1.391 0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 774 1.173 1.848 1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 774 1.378 0.275 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 774 -1.623 -0.335 0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 774 -0.418 -1.518 1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 774 -1.826 -1.133 2.280 1.00 0.00 H new ATOM 320 N THR A 775 0.569 1.901 4.745 1.00 0.00 N ATOM 321 CA THR A 775 1.229 3.021 5.400 1.00 0.00 C ATOM 322 C THR A 775 2.233 2.528 6.445 1.00 0.00 C ATOM 323 O THR A 775 3.335 3.065 6.567 1.00 0.00 O ATOM 324 CB THR A 775 0.199 3.952 6.070 1.00 0.00 C ATOM 325 OG1 THR A 775 -0.899 4.185 5.175 1.00 0.00 O ATOM 326 CG2 THR A 775 0.830 5.282 6.455 1.00 0.00 C ATOM 0 H THR A 775 -0.447 1.901 4.836 1.00 0.00 H new ATOM 0 HA THR A 775 1.764 3.581 4.633 1.00 0.00 H new ATOM 0 HB THR A 775 -0.159 3.465 6.977 1.00 0.00 H new ATOM 0 HG1 THR A 775 -1.507 3.417 5.196 1.00 0.00 H new ATOM 0 HG21 THR A 775 0.080 5.918 6.925 1.00 0.00 H new ATOM 0 HG22 THR A 775 1.648 5.108 7.154 1.00 0.00 H new ATOM 0 HG23 THR A 775 1.215 5.774 5.562 1.00 0.00 H new ATOM 334 N GLN A 776 1.852 1.489 7.176 1.00 0.00 N ATOM 335 CA GLN A 776 2.710 0.914 8.199 1.00 0.00 C ATOM 336 C GLN A 776 3.891 0.185 7.569 1.00 0.00 C ATOM 337 O GLN A 776 5.029 0.361 7.996 1.00 0.00 O ATOM 338 CB GLN A 776 1.913 -0.040 9.087 1.00 0.00 C ATOM 339 CG GLN A 776 1.248 0.651 10.265 1.00 0.00 C ATOM 340 CD GLN A 776 2.234 0.984 11.365 1.00 0.00 C ATOM 341 OE1 GLN A 776 2.597 0.124 12.168 1.00 0.00 O ATOM 342 NE2 GLN A 776 2.674 2.231 11.408 1.00 0.00 N ATOM 0 H GLN A 776 0.949 1.026 7.077 1.00 0.00 H new ATOM 0 HA GLN A 776 3.097 1.726 8.814 1.00 0.00 H new ATOM 0 HB2 GLN A 776 1.149 -0.533 8.485 1.00 0.00 H new ATOM 0 HB3 GLN A 776 2.578 -0.819 9.460 1.00 0.00 H new ATOM 0 HG2 GLN A 776 0.766 1.567 9.922 1.00 0.00 H new ATOM 0 HG3 GLN A 776 0.463 0.009 10.665 1.00 0.00 H new ATOM 0 HE21 GLN A 776 2.346 2.911 10.722 1.00 0.00 H new ATOM 0 HE22 GLN A 776 3.341 2.512 12.127 1.00 0.00 H new ATOM 351 N ALA A 777 3.616 -0.622 6.548 1.00 0.00 N ATOM 352 CA ALA A 777 4.664 -1.353 5.843 1.00 0.00 C ATOM 353 C ALA A 777 5.667 -0.390 5.223 1.00 0.00 C ATOM 354 O ALA A 777 6.878 -0.603 5.289 1.00 0.00 O ATOM 355 CB ALA A 777 4.062 -2.254 4.772 1.00 0.00 C ATOM 0 H ALA A 777 2.675 -0.786 6.190 1.00 0.00 H new ATOM 0 HA ALA A 777 5.188 -1.978 6.566 1.00 0.00 H new ATOM 0 HB1 ALA A 777 4.859 -2.790 4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 777 3.385 -2.970 5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 777 3.511 -1.647 4.054 1.00 0.00 H new ATOM 361 N LEU A 778 5.150 0.677 4.630 1.00 0.00 N ATOM 362 CA LEU A 778 5.989 1.704 4.037 1.00 0.00 C ATOM 363 C LEU A 778 6.840 2.377 5.105 1.00 0.00 C ATOM 364 O LEU A 778 8.035 2.594 4.912 1.00 0.00 O ATOM 365 CB LEU A 778 5.132 2.745 3.322 1.00 0.00 C ATOM 366 CG LEU A 778 5.915 3.787 2.532 1.00 0.00 C ATOM 367 CD1 LEU A 778 6.083 3.342 1.090 1.00 0.00 C ATOM 368 CD2 LEU A 778 5.221 5.133 2.601 1.00 0.00 C ATOM 0 H LEU A 778 4.149 0.853 4.548 1.00 0.00 H new ATOM 0 HA LEU A 778 6.648 1.230 3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 778 4.452 2.230 2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 778 4.516 3.258 4.061 1.00 0.00 H new ATOM 0 HG LEU A 778 6.905 3.889 2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 778 6.644 4.097 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 778 6.623 2.396 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 778 5.102 3.213 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 778 5.792 5.867 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 778 4.219 5.048 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 778 5.152 5.454 3.640 1.00 0.00 H new ATOM 380 N ASN A 779 6.217 2.695 6.234 1.00 0.00 N ATOM 381 CA ASN A 779 6.921 3.318 7.349 1.00 0.00 C ATOM 382 C ASN A 779 7.996 2.383 7.888 1.00 0.00 C ATOM 383 O ASN A 779 9.088 2.822 8.247 1.00 0.00 O ATOM 384 CB ASN A 779 5.941 3.691 8.466 1.00 0.00 C ATOM 385 CG ASN A 779 5.528 5.151 8.412 1.00 0.00 C ATOM 386 OD1 ASN A 779 6.297 6.043 8.780 1.00 0.00 O ATOM 387 ND2 ASN A 779 4.312 5.408 7.955 1.00 0.00 N ATOM 0 H ASN A 779 5.224 2.531 6.402 1.00 0.00 H new ATOM 0 HA ASN A 779 7.397 4.229 6.985 1.00 0.00 H new ATOM 0 HB2 ASN A 779 5.054 3.063 8.391 1.00 0.00 H new ATOM 0 HB3 ASN A 779 6.400 3.482 9.432 1.00 0.00 H new ATOM 0 HD21 ASN A 779 3.982 6.371 7.898 1.00 0.00 H new ATOM 0 HD22 ASN A 779 3.706 4.643 7.660 1.00 0.00 H new ATOM 394 N GLU A 780 7.686 1.088 7.913 1.00 0.00 N ATOM 395 CA GLU A 780 8.627 0.069 8.361 1.00 0.00 C ATOM 396 C GLU A 780 9.886 0.099 7.507 1.00 0.00 C ATOM 397 O GLU A 780 11.008 0.081 8.020 1.00 0.00 O ATOM 398 CB GLU A 780 7.990 -1.318 8.265 1.00 0.00 C ATOM 399 CG GLU A 780 7.164 -1.697 9.480 1.00 0.00 C ATOM 400 CD GLU A 780 7.949 -2.522 10.476 1.00 0.00 C ATOM 401 OE1 GLU A 780 9.118 -2.175 10.757 1.00 0.00 O ATOM 402 OE2 GLU A 780 7.406 -3.525 10.982 1.00 0.00 O ATOM 0 H GLU A 780 6.780 0.719 7.624 1.00 0.00 H new ATOM 0 HA GLU A 780 8.888 0.279 9.398 1.00 0.00 H new ATOM 0 HB2 GLU A 780 7.355 -1.356 7.380 1.00 0.00 H new ATOM 0 HB3 GLU A 780 8.776 -2.060 8.126 1.00 0.00 H new ATOM 0 HG2 GLU A 780 6.803 -0.791 9.967 1.00 0.00 H new ATOM 0 HG3 GLU A 780 6.286 -2.258 9.159 1.00 0.00 H new ATOM 409 N LEU A 781 9.685 0.143 6.200 1.00 0.00 N ATOM 410 CA LEU A 781 10.786 0.222 5.258 1.00 0.00 C ATOM 411 C LEU A 781 11.492 1.566 5.378 1.00 0.00 C ATOM 412 O LEU A 781 12.715 1.637 5.307 1.00 0.00 O ATOM 413 CB LEU A 781 10.269 0.019 3.833 1.00 0.00 C ATOM 414 CG LEU A 781 11.346 -0.004 2.751 1.00 0.00 C ATOM 415 CD1 LEU A 781 11.511 -1.410 2.197 1.00 0.00 C ATOM 416 CD2 LEU A 781 11.001 0.981 1.643 1.00 0.00 C ATOM 0 H LEU A 781 8.762 0.125 5.766 1.00 0.00 H new ATOM 0 HA LEU A 781 11.503 -0.566 5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 781 9.716 -0.920 3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 781 9.561 0.815 3.603 1.00 0.00 H new ATOM 0 HG LEU A 781 12.295 0.299 3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 781 12.282 -1.409 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 781 11.802 -2.086 3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 781 10.568 -1.744 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 781 11.777 0.955 0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 781 10.044 0.708 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 781 10.935 1.987 2.058 1.00 0.00 H new ATOM 428 N LEU A 782 10.713 2.626 5.575 1.00 0.00 N ATOM 429 CA LEU A 782 11.253 3.979 5.685 1.00 0.00 C ATOM 430 C LEU A 782 12.301 4.074 6.790 1.00 0.00 C ATOM 431 O LEU A 782 13.426 4.512 6.544 1.00 0.00 O ATOM 432 CB LEU A 782 10.129 4.984 5.948 1.00 0.00 C ATOM 433 CG LEU A 782 9.591 5.692 4.705 1.00 0.00 C ATOM 434 CD1 LEU A 782 8.456 6.633 5.078 1.00 0.00 C ATOM 435 CD2 LEU A 782 10.705 6.452 4.000 1.00 0.00 C ATOM 0 H LEU A 782 9.698 2.573 5.662 1.00 0.00 H new ATOM 0 HA LEU A 782 11.735 4.218 4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 782 9.305 4.465 6.437 1.00 0.00 H new ATOM 0 HB3 LEU A 782 10.492 5.737 6.648 1.00 0.00 H new ATOM 0 HG LEU A 782 9.202 4.938 4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 782 8.085 7.129 4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 782 7.648 6.064 5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 782 8.820 7.381 5.782 1.00 0.00 H new ATOM 0 HD21 LEU A 782 10.304 6.950 3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 782 11.123 7.196 4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 782 11.487 5.755 3.699 1.00 0.00 H new ATOM 447 N GLN A 783 11.933 3.653 8.000 1.00 0.00 N ATOM 448 CA GLN A 783 12.858 3.689 9.130 1.00 0.00 C ATOM 449 C GLN A 783 14.091 2.852 8.826 1.00 0.00 C ATOM 450 O GLN A 783 15.225 3.272 9.068 1.00 0.00 O ATOM 451 CB GLN A 783 12.202 3.160 10.410 1.00 0.00 C ATOM 452 CG GLN A 783 10.782 3.649 10.644 1.00 0.00 C ATOM 453 CD GLN A 783 9.923 2.612 11.342 1.00 0.00 C ATOM 454 OE1 GLN A 783 10.349 1.474 11.551 1.00 0.00 O ATOM 455 NE2 GLN A 783 8.708 2.992 11.703 1.00 0.00 N ATOM 0 H GLN A 783 11.007 3.286 8.221 1.00 0.00 H new ATOM 0 HA GLN A 783 13.141 4.730 9.286 1.00 0.00 H new ATOM 0 HB2 GLN A 783 12.196 2.071 10.375 1.00 0.00 H new ATOM 0 HB3 GLN A 783 12.816 3.448 11.263 1.00 0.00 H new ATOM 0 HG2 GLN A 783 10.808 4.559 11.243 1.00 0.00 H new ATOM 0 HG3 GLN A 783 10.328 3.910 9.688 1.00 0.00 H new ATOM 0 HE21 GLN A 783 8.393 3.943 11.512 1.00 0.00 H new ATOM 0 HE22 GLN A 783 8.086 2.334 12.173 1.00 0.00 H new ATOM 464 N HIS A 784 13.850 1.670 8.273 1.00 0.00 N ATOM 465 CA HIS A 784 14.912 0.723 7.974 1.00 0.00 C ATOM 466 C HIS A 784 15.872 1.276 6.918 1.00 0.00 C ATOM 467 O HIS A 784 17.085 1.202 7.082 1.00 0.00 O ATOM 468 CB HIS A 784 14.304 -0.606 7.506 1.00 0.00 C ATOM 469 CG HIS A 784 15.311 -1.599 7.020 1.00 0.00 C ATOM 470 ND1 HIS A 784 16.356 -2.051 7.794 1.00 0.00 N ATOM 471 CD2 HIS A 784 15.443 -2.205 5.822 1.00 0.00 C ATOM 472 CE1 HIS A 784 17.095 -2.884 7.092 1.00 0.00 C ATOM 473 NE2 HIS A 784 16.564 -2.997 5.889 1.00 0.00 N ATOM 0 H HIS A 784 12.917 1.344 8.021 1.00 0.00 H new ATOM 0 HA HIS A 784 15.488 0.554 8.884 1.00 0.00 H new ATOM 0 HB2 HIS A 784 13.743 -1.047 8.330 1.00 0.00 H new ATOM 0 HB3 HIS A 784 13.591 -0.406 6.706 1.00 0.00 H new ATOM 0 HD1 HIS A 784 16.531 -1.782 8.762 1.00 0.00 H new ATOM 0 HD2 HIS A 784 14.790 -2.089 4.970 1.00 0.00 H new ATOM 0 HE1 HIS A 784 17.984 -3.389 7.441 1.00 0.00 H new ATOM 482 N VAL A 785 15.325 1.829 5.843 1.00 0.00 N ATOM 483 CA VAL A 785 16.137 2.336 4.739 1.00 0.00 C ATOM 484 C VAL A 785 16.972 3.537 5.174 1.00 0.00 C ATOM 485 O VAL A 785 18.163 3.616 4.870 1.00 0.00 O ATOM 486 CB VAL A 785 15.260 2.731 3.523 1.00 0.00 C ATOM 487 CG1 VAL A 785 16.052 3.541 2.506 1.00 0.00 C ATOM 488 CG2 VAL A 785 14.672 1.493 2.861 1.00 0.00 C ATOM 0 H VAL A 785 14.320 1.939 5.710 1.00 0.00 H new ATOM 0 HA VAL A 785 16.805 1.528 4.441 1.00 0.00 H new ATOM 0 HB VAL A 785 14.446 3.354 3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 785 15.407 3.801 1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 785 16.422 4.452 2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 785 16.894 2.950 2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 785 14.060 1.792 2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 785 15.479 0.846 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 785 14.055 0.954 3.580 1.00 0.00 H new ATOM 498 N LYS A 786 16.346 4.453 5.906 1.00 0.00 N ATOM 499 CA LYS A 786 16.998 5.694 6.321 1.00 0.00 C ATOM 500 C LYS A 786 18.297 5.431 7.080 1.00 0.00 C ATOM 501 O LYS A 786 19.271 6.171 6.929 1.00 0.00 O ATOM 502 CB LYS A 786 16.054 6.515 7.200 1.00 0.00 C ATOM 503 CG LYS A 786 15.065 7.357 6.415 1.00 0.00 C ATOM 504 CD LYS A 786 13.871 7.741 7.273 1.00 0.00 C ATOM 505 CE LYS A 786 12.868 8.575 6.496 1.00 0.00 C ATOM 506 NZ LYS A 786 12.843 9.985 6.964 1.00 0.00 N ATOM 0 H LYS A 786 15.382 4.360 6.227 1.00 0.00 H new ATOM 0 HA LYS A 786 17.242 6.250 5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 786 15.503 5.840 7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 786 16.646 7.169 7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 786 15.559 8.257 6.050 1.00 0.00 H new ATOM 0 HG3 LYS A 786 14.725 6.803 5.540 1.00 0.00 H new ATOM 0 HD2 LYS A 786 13.385 6.839 7.645 1.00 0.00 H new ATOM 0 HD3 LYS A 786 14.213 8.301 8.144 1.00 0.00 H new ATOM 0 HE2 LYS A 786 13.117 8.548 5.435 1.00 0.00 H new ATOM 0 HE3 LYS A 786 11.874 8.139 6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 786 12.146 10.522 6.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 786 12.580 10.012 7.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 786 13.785 10.409 6.840 1.00 0.00 H new ATOM 520 N ALA A 787 18.313 4.376 7.881 1.00 0.00 N ATOM 521 CA ALA A 787 19.465 4.084 8.722 1.00 0.00 C ATOM 522 C ALA A 787 20.229 2.851 8.238 1.00 0.00 C ATOM 523 O ALA A 787 21.143 2.374 8.915 1.00 0.00 O ATOM 524 CB ALA A 787 19.023 3.899 10.165 1.00 0.00 C ATOM 0 H ALA A 787 17.545 3.710 7.967 1.00 0.00 H new ATOM 0 HA ALA A 787 20.145 4.933 8.658 1.00 0.00 H new ATOM 0 HB1 ALA A 787 19.892 3.681 10.786 1.00 0.00 H new ATOM 0 HB2 ALA A 787 18.544 4.812 10.519 1.00 0.00 H new ATOM 0 HB3 ALA A 787 18.316 3.071 10.226 1.00 0.00 H new ATOM 530 N HIS A 788 19.863 2.336 7.069 1.00 0.00 N ATOM 531 CA HIS A 788 20.507 1.140 6.530 1.00 0.00 C ATOM 532 C HIS A 788 20.667 1.244 5.021 1.00 0.00 C ATOM 533 O HIS A 788 20.101 0.448 4.272 1.00 0.00 O ATOM 534 CB HIS A 788 19.706 -0.123 6.863 1.00 0.00 C ATOM 535 CG HIS A 788 19.805 -0.560 8.290 1.00 0.00 C ATOM 536 ND1 HIS A 788 20.803 -1.382 8.765 1.00 0.00 N ATOM 537 CD2 HIS A 788 19.008 -0.291 9.347 1.00 0.00 C ATOM 538 CE1 HIS A 788 20.613 -1.600 10.053 1.00 0.00 C ATOM 539 NE2 HIS A 788 19.531 -0.948 10.430 1.00 0.00 N ATOM 0 H HIS A 788 19.128 2.724 6.478 1.00 0.00 H new ATOM 0 HA HIS A 788 21.490 1.068 6.995 1.00 0.00 H new ATOM 0 HB2 HIS A 788 18.658 0.052 6.621 1.00 0.00 H new ATOM 0 HB3 HIS A 788 20.049 -0.935 6.222 1.00 0.00 H new ATOM 0 HD1 HIS A 788 21.569 -1.763 8.209 1.00 0.00 H new ATOM 0 HD2 HIS A 788 18.123 0.327 9.340 1.00 0.00 H new ATOM 0 HE1 HIS A 788 21.238 -2.209 10.690 1.00 0.00 H new ATOM 548 N ALA A 789 21.425 2.233 4.581 1.00 0.00 N ATOM 549 CA ALA A 789 21.711 2.400 3.167 1.00 0.00 C ATOM 550 C ALA A 789 23.193 2.650 2.957 1.00 0.00 C ATOM 551 O ALA A 789 23.717 3.693 3.355 1.00 0.00 O ATOM 552 CB ALA A 789 20.904 3.547 2.588 1.00 0.00 C ATOM 0 H ALA A 789 21.855 2.934 5.184 1.00 0.00 H new ATOM 0 HA ALA A 789 21.429 1.483 2.650 1.00 0.00 H new ATOM 0 HB1 ALA A 789 21.134 3.655 1.528 1.00 0.00 H new ATOM 0 HB2 ALA A 789 19.840 3.342 2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 789 21.157 4.470 3.110 1.00 0.00 H new ATOM 558 N THR A 790 23.869 1.696 2.347 1.00 0.00 N ATOM 559 CA THR A 790 25.292 1.822 2.106 1.00 0.00 C ATOM 560 C THR A 790 25.603 1.645 0.622 1.00 0.00 C ATOM 561 O THR A 790 24.748 1.212 -0.150 1.00 0.00 O ATOM 562 CB THR A 790 26.078 0.783 2.935 1.00 0.00 C ATOM 563 OG1 THR A 790 25.384 0.513 4.164 1.00 0.00 O ATOM 564 CG2 THR A 790 27.485 1.276 3.246 1.00 0.00 C ATOM 0 H THR A 790 23.456 0.826 2.010 1.00 0.00 H new ATOM 0 HA THR A 790 25.600 2.822 2.413 1.00 0.00 H new ATOM 0 HB THR A 790 26.155 -0.130 2.345 1.00 0.00 H new ATOM 0 HG1 THR A 790 25.886 -0.148 4.685 1.00 0.00 H new ATOM 0 HG21 THR A 790 28.013 0.523 3.831 1.00 0.00 H new ATOM 0 HG22 THR A 790 28.022 1.455 2.315 1.00 0.00 H new ATOM 0 HG23 THR A 790 27.428 2.203 3.816 1.00 0.00 H new ATOM 572 N GLY A 791 26.809 2.021 0.221 1.00 0.00 N ATOM 573 CA GLY A 791 27.246 1.788 -1.139 1.00 0.00 C ATOM 574 C GLY A 791 26.649 2.772 -2.124 1.00 0.00 C ATOM 575 O GLY A 791 27.111 3.906 -2.234 1.00 0.00 O ATOM 0 H GLY A 791 27.495 2.485 0.817 1.00 0.00 H new ATOM 0 HA2 GLY A 791 28.333 1.852 -1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 791 26.974 0.775 -1.435 1.00 0.00 H new ATOM 579 N ALA A 792 25.608 2.340 -2.822 1.00 0.00 N ATOM 580 CA ALA A 792 25.001 3.137 -3.882 1.00 0.00 C ATOM 581 C ALA A 792 24.088 4.233 -3.328 1.00 0.00 C ATOM 582 O ALA A 792 22.891 4.271 -3.627 1.00 0.00 O ATOM 583 CB ALA A 792 24.233 2.234 -4.837 1.00 0.00 C ATOM 0 H ALA A 792 25.162 1.435 -2.672 1.00 0.00 H new ATOM 0 HA ALA A 792 25.805 3.634 -4.424 1.00 0.00 H new ATOM 0 HB1 ALA A 792 23.783 2.837 -5.625 1.00 0.00 H new ATOM 0 HB2 ALA A 792 24.915 1.509 -5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 792 23.450 1.709 -4.290 1.00 0.00 H new ATOM 589 N GLY A 793 24.661 5.120 -2.525 1.00 0.00 N ATOM 590 CA GLY A 793 23.923 6.266 -2.029 1.00 0.00 C ATOM 591 C GLY A 793 23.320 6.041 -0.656 1.00 0.00 C ATOM 592 O GLY A 793 22.646 5.038 -0.429 1.00 0.00 O ATOM 0 H GLY A 793 25.629 5.066 -2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 793 24.588 7.129 -1.989 1.00 0.00 H new ATOM 0 HA3 GLY A 793 23.127 6.509 -2.733 1.00 0.00 H new ATOM 596 N PRO A 794 23.544 6.972 0.285 1.00 0.00 N ATOM 597 CA PRO A 794 22.969 6.900 1.633 1.00 0.00 C ATOM 598 C PRO A 794 21.468 7.166 1.616 1.00 0.00 C ATOM 599 O PRO A 794 20.742 6.815 2.547 1.00 0.00 O ATOM 600 CB PRO A 794 23.700 8.007 2.412 1.00 0.00 C ATOM 601 CG PRO A 794 24.815 8.461 1.525 1.00 0.00 C ATOM 602 CD PRO A 794 24.384 8.165 0.120 1.00 0.00 C ATOM 0 HA PRO A 794 23.092 5.912 2.077 1.00 0.00 H new ATOM 0 HB2 PRO A 794 23.026 8.831 2.646 1.00 0.00 H new ATOM 0 HB3 PRO A 794 24.083 7.630 3.360 1.00 0.00 H new ATOM 0 HG2 PRO A 794 25.007 9.526 1.656 1.00 0.00 H new ATOM 0 HG3 PRO A 794 25.741 7.938 1.766 1.00 0.00 H new ATOM 0 HD2 PRO A 794 23.828 8.995 -0.316 1.00 0.00 H new ATOM 0 HD3 PRO A 794 25.235 7.974 -0.533 1.00 0.00 H new ATOM 610 N ALA A 795 21.023 7.784 0.541 1.00 0.00 N ATOM 611 CA ALA A 795 19.621 8.100 0.339 1.00 0.00 C ATOM 612 C ALA A 795 19.366 8.345 -1.140 1.00 0.00 C ATOM 613 O ALA A 795 20.223 8.042 -1.972 1.00 0.00 O ATOM 614 CB ALA A 795 19.216 9.309 1.169 1.00 0.00 C ATOM 0 H ALA A 795 21.628 8.084 -0.224 1.00 0.00 H new ATOM 0 HA ALA A 795 19.013 7.257 0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 795 18.161 9.528 1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 795 19.380 9.096 2.225 1.00 0.00 H new ATOM 0 HB3 ALA A 795 19.816 10.170 0.875 1.00 0.00 H new ATOM 620 N GLY A 796 18.201 8.894 -1.468 1.00 0.00 N ATOM 621 CA GLY A 796 17.855 9.120 -2.862 1.00 0.00 C ATOM 622 C GLY A 796 17.749 7.824 -3.641 1.00 0.00 C ATOM 623 O GLY A 796 18.009 7.784 -4.844 1.00 0.00 O ATOM 0 H GLY A 796 17.491 9.186 -0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 796 16.907 9.654 -2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 796 18.608 9.759 -3.323 1.00 0.00 H new ATOM 627 N ARG A 797 17.374 6.762 -2.945 1.00 0.00 N ATOM 628 CA ARG A 797 17.253 5.448 -3.553 1.00 0.00 C ATOM 629 C ARG A 797 15.796 5.160 -3.884 1.00 0.00 C ATOM 630 O ARG A 797 15.465 4.844 -5.027 1.00 0.00 O ATOM 631 CB ARG A 797 17.828 4.381 -2.617 1.00 0.00 C ATOM 632 CG ARG A 797 19.219 3.918 -3.026 1.00 0.00 C ATOM 633 CD ARG A 797 20.096 3.613 -1.821 1.00 0.00 C ATOM 634 NE ARG A 797 20.335 2.178 -1.676 1.00 0.00 N ATOM 635 CZ ARG A 797 21.302 1.640 -0.937 1.00 0.00 C ATOM 636 NH1 ARG A 797 22.211 2.404 -0.353 1.00 0.00 N ATOM 637 NH2 ARG A 797 21.380 0.324 -0.817 1.00 0.00 N ATOM 0 H ARG A 797 17.147 6.786 -1.951 1.00 0.00 H new ATOM 0 HA ARG A 797 17.823 5.427 -4.482 1.00 0.00 H new ATOM 0 HB2 ARG A 797 17.867 4.778 -1.603 1.00 0.00 H new ATOM 0 HB3 ARG A 797 17.156 3.523 -2.598 1.00 0.00 H new ATOM 0 HG2 ARG A 797 19.136 3.027 -3.649 1.00 0.00 H new ATOM 0 HG3 ARG A 797 19.693 4.689 -3.634 1.00 0.00 H new ATOM 0 HD2 ARG A 797 21.049 4.132 -1.924 1.00 0.00 H new ATOM 0 HD3 ARG A 797 19.620 3.996 -0.918 1.00 0.00 H new ATOM 0 HE ARG A 797 19.715 1.543 -2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 797 22.175 3.417 -0.467 1.00 0.00 H new ATOM 0 HH12 ARG A 797 22.947 1.980 0.211 1.00 0.00 H new ATOM 0 HH21 ARG A 797 20.701 -0.272 -1.290 1.00 0.00 H new ATOM 0 HH22 ARG A 797 22.119 -0.094 -0.252 1.00 0.00 H new ATOM 651 N TYR A 798 14.929 5.280 -2.886 1.00 0.00 N ATOM 652 CA TYR A 798 13.500 5.038 -3.077 1.00 0.00 C ATOM 653 C TYR A 798 12.695 6.136 -2.394 1.00 0.00 C ATOM 654 O TYR A 798 11.526 5.952 -2.063 1.00 0.00 O ATOM 655 CB TYR A 798 13.085 3.664 -2.520 1.00 0.00 C ATOM 656 CG TYR A 798 14.237 2.712 -2.274 1.00 0.00 C ATOM 657 CD1 TYR A 798 15.009 2.236 -3.327 1.00 0.00 C ATOM 658 CD2 TYR A 798 14.553 2.293 -0.988 1.00 0.00 C ATOM 659 CE1 TYR A 798 16.064 1.377 -3.109 1.00 0.00 C ATOM 660 CE2 TYR A 798 15.605 1.428 -0.760 1.00 0.00 C ATOM 661 CZ TYR A 798 16.360 0.974 -1.821 1.00 0.00 C ATOM 662 OH TYR A 798 17.403 0.107 -1.590 1.00 0.00 O ATOM 0 H TYR A 798 15.188 5.543 -1.935 1.00 0.00 H new ATOM 0 HA TYR A 798 13.296 5.045 -4.148 1.00 0.00 H new ATOM 0 HB2 TYR A 798 12.547 3.813 -1.584 1.00 0.00 H new ATOM 0 HB3 TYR A 798 12.388 3.199 -3.217 1.00 0.00 H new ATOM 0 HD1 TYR A 798 14.778 2.545 -4.336 1.00 0.00 H new ATOM 0 HD2 TYR A 798 13.967 2.649 -0.154 1.00 0.00 H new ATOM 0 HE1 TYR A 798 16.656 1.021 -3.939 1.00 0.00 H new ATOM 0 HE2 TYR A 798 15.836 1.108 0.245 1.00 0.00 H new ATOM 0 HH TYR A 798 17.839 -0.114 -2.439 1.00 0.00 H new ATOM 672 N ASP A 799 13.336 7.288 -2.228 1.00 0.00 N ATOM 673 CA ASP A 799 12.777 8.403 -1.467 1.00 0.00 C ATOM 674 C ASP A 799 11.525 8.967 -2.125 1.00 0.00 C ATOM 675 O ASP A 799 10.603 9.423 -1.447 1.00 0.00 O ATOM 676 CB ASP A 799 13.824 9.507 -1.332 1.00 0.00 C ATOM 677 CG ASP A 799 13.648 10.337 -0.076 1.00 0.00 C ATOM 678 OD1 ASP A 799 13.190 9.789 0.948 1.00 0.00 O ATOM 679 OD2 ASP A 799 13.996 11.537 -0.102 1.00 0.00 O ATOM 0 H ASP A 799 14.260 7.477 -2.618 1.00 0.00 H new ATOM 0 HA ASP A 799 12.497 8.027 -0.483 1.00 0.00 H new ATOM 0 HB2 ASP A 799 14.818 9.060 -1.329 1.00 0.00 H new ATOM 0 HB3 ASP A 799 13.771 10.160 -2.203 1.00 0.00 H new ATOM 684 N GLN A 800 11.497 8.946 -3.449 1.00 0.00 N ATOM 685 CA GLN A 800 10.353 9.458 -4.187 1.00 0.00 C ATOM 686 C GLN A 800 9.203 8.462 -4.145 1.00 0.00 C ATOM 687 O GLN A 800 8.041 8.843 -3.999 1.00 0.00 O ATOM 688 CB GLN A 800 10.737 9.755 -5.635 1.00 0.00 C ATOM 689 CG GLN A 800 10.315 11.139 -6.097 1.00 0.00 C ATOM 690 CD GLN A 800 11.450 12.142 -6.037 1.00 0.00 C ATOM 691 OE1 GLN A 800 12.095 12.429 -7.046 1.00 0.00 O ATOM 692 NE2 GLN A 800 11.705 12.682 -4.857 1.00 0.00 N ATOM 0 H GLN A 800 12.250 8.581 -4.032 1.00 0.00 H new ATOM 0 HA GLN A 800 10.030 10.386 -3.715 1.00 0.00 H new ATOM 0 HB2 GLN A 800 11.817 9.657 -5.745 1.00 0.00 H new ATOM 0 HB3 GLN A 800 10.281 9.008 -6.285 1.00 0.00 H new ATOM 0 HG2 GLN A 800 9.941 11.079 -7.119 1.00 0.00 H new ATOM 0 HG3 GLN A 800 9.491 11.490 -5.476 1.00 0.00 H new ATOM 0 HE21 GLN A 800 11.148 12.418 -4.044 1.00 0.00 H new ATOM 0 HE22 GLN A 800 12.459 13.362 -4.760 1.00 0.00 H new ATOM 701 N ALA A 801 9.538 7.185 -4.252 1.00 0.00 N ATOM 702 CA ALA A 801 8.540 6.126 -4.244 1.00 0.00 C ATOM 703 C ALA A 801 7.775 6.102 -2.925 1.00 0.00 C ATOM 704 O ALA A 801 6.544 6.062 -2.918 1.00 0.00 O ATOM 705 CB ALA A 801 9.200 4.781 -4.506 1.00 0.00 C ATOM 0 H ALA A 801 10.499 6.856 -4.346 1.00 0.00 H new ATOM 0 HA ALA A 801 7.823 6.326 -5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 801 8.443 3.997 -4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 801 9.692 4.800 -5.479 1.00 0.00 H new ATOM 0 HB3 ALA A 801 9.939 4.581 -3.730 1.00 0.00 H new ATOM 711 N THR A 802 8.506 6.149 -1.815 1.00 0.00 N ATOM 712 CA THR A 802 7.893 6.134 -0.494 1.00 0.00 C ATOM 713 C THR A 802 6.987 7.347 -0.310 1.00 0.00 C ATOM 714 O THR A 802 5.881 7.243 0.226 1.00 0.00 O ATOM 715 CB THR A 802 8.970 6.130 0.607 1.00 0.00 C ATOM 716 OG1 THR A 802 10.112 6.871 0.165 1.00 0.00 O ATOM 717 CG2 THR A 802 9.391 4.709 0.949 1.00 0.00 C ATOM 0 H THR A 802 9.525 6.198 -1.806 1.00 0.00 H new ATOM 0 HA THR A 802 7.297 5.225 -0.413 1.00 0.00 H new ATOM 0 HB THR A 802 8.550 6.593 1.500 1.00 0.00 H new ATOM 0 HG1 THR A 802 9.820 7.725 -0.217 1.00 0.00 H new ATOM 0 HG21 THR A 802 10.152 4.733 1.729 1.00 0.00 H new ATOM 0 HG22 THR A 802 8.526 4.149 1.303 1.00 0.00 H new ATOM 0 HG23 THR A 802 9.797 4.226 0.060 1.00 0.00 H new ATOM 725 N ASP A 803 7.464 8.490 -0.787 1.00 0.00 N ATOM 726 CA ASP A 803 6.722 9.741 -0.710 1.00 0.00 C ATOM 727 C ASP A 803 5.381 9.623 -1.427 1.00 0.00 C ATOM 728 O ASP A 803 4.330 9.954 -0.869 1.00 0.00 O ATOM 729 CB ASP A 803 7.542 10.870 -1.334 1.00 0.00 C ATOM 730 CG ASP A 803 7.014 12.240 -0.977 1.00 0.00 C ATOM 731 OD1 ASP A 803 7.437 12.788 0.064 1.00 0.00 O ATOM 732 OD2 ASP A 803 6.180 12.778 -1.735 1.00 0.00 O ATOM 0 H ASP A 803 8.375 8.575 -1.238 1.00 0.00 H new ATOM 0 HA ASP A 803 6.534 9.964 0.340 1.00 0.00 H new ATOM 0 HB2 ASP A 803 8.577 10.787 -1.004 1.00 0.00 H new ATOM 0 HB3 ASP A 803 7.543 10.757 -2.418 1.00 0.00 H new ATOM 737 N THR A 804 5.425 9.136 -2.659 1.00 0.00 N ATOM 738 CA THR A 804 4.228 8.987 -3.471 1.00 0.00 C ATOM 739 C THR A 804 3.226 8.032 -2.822 1.00 0.00 C ATOM 740 O THR A 804 2.046 8.361 -2.696 1.00 0.00 O ATOM 741 CB THR A 804 4.592 8.490 -4.881 1.00 0.00 C ATOM 742 OG1 THR A 804 5.643 9.304 -5.416 1.00 0.00 O ATOM 743 CG2 THR A 804 3.386 8.536 -5.809 1.00 0.00 C ATOM 0 H THR A 804 6.284 8.836 -3.120 1.00 0.00 H new ATOM 0 HA THR A 804 3.759 9.968 -3.548 1.00 0.00 H new ATOM 0 HB THR A 804 4.924 7.454 -4.806 1.00 0.00 H new ATOM 0 HG1 THR A 804 6.498 9.038 -5.018 1.00 0.00 H new ATOM 0 HG21 THR A 804 3.674 8.179 -6.798 1.00 0.00 H new ATOM 0 HG22 THR A 804 2.595 7.901 -5.410 1.00 0.00 H new ATOM 0 HG23 THR A 804 3.024 9.561 -5.885 1.00 0.00 H new ATOM 751 N ILE A 805 3.702 6.869 -2.384 1.00 0.00 N ATOM 752 CA ILE A 805 2.834 5.867 -1.768 1.00 0.00 C ATOM 753 C ILE A 805 2.129 6.433 -0.543 1.00 0.00 C ATOM 754 O ILE A 805 0.906 6.339 -0.424 1.00 0.00 O ATOM 755 CB ILE A 805 3.621 4.604 -1.367 1.00 0.00 C ATOM 756 CG1 ILE A 805 3.966 3.791 -2.607 1.00 0.00 C ATOM 757 CG2 ILE A 805 2.834 3.749 -0.378 1.00 0.00 C ATOM 758 CD1 ILE A 805 5.330 3.162 -2.533 1.00 0.00 C ATOM 0 H ILE A 805 4.683 6.597 -2.444 1.00 0.00 H new ATOM 0 HA ILE A 805 2.090 5.591 -2.515 1.00 0.00 H new ATOM 0 HB ILE A 805 4.541 4.920 -0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 805 3.218 3.010 -2.743 1.00 0.00 H new ATOM 0 HG13 ILE A 805 3.916 4.436 -3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 805 3.417 2.866 -0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.629 4.329 0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.893 3.440 -0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 805 5.519 2.596 -3.445 1.00 0.00 H new ATOM 0 HD12 ILE A 805 6.085 3.941 -2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 805 5.376 2.493 -1.674 1.00 0.00 H new ATOM 770 N LEU A 806 2.904 7.022 0.362 1.00 0.00 N ATOM 771 CA LEU A 806 2.344 7.628 1.569 1.00 0.00 C ATOM 772 C LEU A 806 1.231 8.604 1.220 1.00 0.00 C ATOM 773 O LEU A 806 0.132 8.513 1.759 1.00 0.00 O ATOM 774 CB LEU A 806 3.421 8.357 2.372 1.00 0.00 C ATOM 775 CG LEU A 806 3.509 7.968 3.851 1.00 0.00 C ATOM 776 CD1 LEU A 806 4.473 8.882 4.584 1.00 0.00 C ATOM 777 CD2 LEU A 806 2.138 8.019 4.507 1.00 0.00 C ATOM 0 H LEU A 806 3.919 7.094 0.285 1.00 0.00 H new ATOM 0 HA LEU A 806 1.936 6.820 2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 806 4.388 8.170 1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 806 3.237 9.429 2.305 1.00 0.00 H new ATOM 0 HG LEU A 806 3.881 6.945 3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 806 4.523 8.591 5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 806 5.464 8.800 4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 806 4.126 9.912 4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 806 2.226 7.739 5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.737 9.030 4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 806 1.467 7.325 4.001 1.00 0.00 H new ATOM 789 N THR A 807 1.518 9.522 0.308 1.00 0.00 N ATOM 790 CA THR A 807 0.543 10.523 -0.096 1.00 0.00 C ATOM 791 C THR A 807 -0.697 9.877 -0.711 1.00 0.00 C ATOM 792 O THR A 807 -1.820 10.276 -0.414 1.00 0.00 O ATOM 793 CB THR A 807 1.156 11.525 -1.091 1.00 0.00 C ATOM 794 OG1 THR A 807 2.484 11.873 -0.670 1.00 0.00 O ATOM 795 CG2 THR A 807 0.307 12.783 -1.187 1.00 0.00 C ATOM 0 H THR A 807 2.418 9.594 -0.166 1.00 0.00 H new ATOM 0 HA THR A 807 0.243 11.060 0.804 1.00 0.00 H new ATOM 0 HB THR A 807 1.192 11.055 -2.074 1.00 0.00 H new ATOM 0 HG1 THR A 807 3.128 11.257 -1.077 1.00 0.00 H new ATOM 0 HG21 THR A 807 0.761 13.475 -1.896 1.00 0.00 H new ATOM 0 HG22 THR A 807 -0.695 12.521 -1.527 1.00 0.00 H new ATOM 0 HG23 THR A 807 0.245 13.256 -0.207 1.00 0.00 H new ATOM 803 N VAL A 808 -0.489 8.868 -1.548 1.00 0.00 N ATOM 804 CA VAL A 808 -1.595 8.170 -2.192 1.00 0.00 C ATOM 805 C VAL A 808 -2.494 7.493 -1.155 1.00 0.00 C ATOM 806 O VAL A 808 -3.709 7.698 -1.145 1.00 0.00 O ATOM 807 CB VAL A 808 -1.077 7.122 -3.203 1.00 0.00 C ATOM 808 CG1 VAL A 808 -2.145 6.092 -3.524 1.00 0.00 C ATOM 809 CG2 VAL A 808 -0.597 7.803 -4.476 1.00 0.00 C ATOM 0 H VAL A 808 0.435 8.515 -1.797 1.00 0.00 H new ATOM 0 HA VAL A 808 -2.182 8.914 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 808 -0.236 6.602 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -1.750 5.369 -4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -2.440 5.576 -2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -3.013 6.590 -3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -0.236 7.051 -5.177 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -1.422 8.353 -4.928 1.00 0.00 H new ATOM 0 HG23 VAL A 808 0.211 8.494 -4.236 1.00 0.00 H new ATOM 819 N THR A 809 -1.888 6.703 -0.274 1.00 0.00 N ATOM 820 CA THR A 809 -2.635 6.011 0.767 1.00 0.00 C ATOM 821 C THR A 809 -3.297 7.012 1.710 1.00 0.00 C ATOM 822 O THR A 809 -4.444 6.828 2.127 1.00 0.00 O ATOM 823 CB THR A 809 -1.727 5.058 1.570 1.00 0.00 C ATOM 824 OG1 THR A 809 -0.714 4.511 0.713 1.00 0.00 O ATOM 825 CG2 THR A 809 -2.539 3.927 2.176 1.00 0.00 C ATOM 0 H THR A 809 -0.883 6.527 -0.261 1.00 0.00 H new ATOM 0 HA THR A 809 -3.407 5.418 0.277 1.00 0.00 H new ATOM 0 HB THR A 809 -1.260 5.626 2.374 1.00 0.00 H new ATOM 0 HG1 THR A 809 0.006 5.166 0.598 1.00 0.00 H new ATOM 0 HG21 THR A 809 -1.879 3.266 2.738 1.00 0.00 H new ATOM 0 HG22 THR A 809 -3.295 4.339 2.844 1.00 0.00 H new ATOM 0 HG23 THR A 809 -3.026 3.362 1.381 1.00 0.00 H new ATOM 833 N GLU A 810 -2.573 8.084 2.018 1.00 0.00 N ATOM 834 CA GLU A 810 -3.091 9.162 2.845 1.00 0.00 C ATOM 835 C GLU A 810 -4.334 9.777 2.198 1.00 0.00 C ATOM 836 O GLU A 810 -5.316 10.074 2.878 1.00 0.00 O ATOM 837 CB GLU A 810 -1.997 10.218 3.063 1.00 0.00 C ATOM 838 CG GLU A 810 -2.524 11.625 3.292 1.00 0.00 C ATOM 839 CD GLU A 810 -2.448 12.043 4.742 1.00 0.00 C ATOM 840 OE1 GLU A 810 -2.979 11.311 5.603 1.00 0.00 O ATOM 841 OE2 GLU A 810 -1.856 13.104 5.028 1.00 0.00 O ATOM 0 H GLU A 810 -1.614 8.227 1.701 1.00 0.00 H new ATOM 0 HA GLU A 810 -3.384 8.764 3.817 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -1.391 9.925 3.921 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -1.338 10.226 2.195 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -1.952 12.327 2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -3.559 11.681 2.955 1.00 0.00 H new ATOM 848 N ASN A 811 -4.290 9.933 0.879 1.00 0.00 N ATOM 849 CA ASN A 811 -5.410 10.491 0.127 1.00 0.00 C ATOM 850 C ASN A 811 -6.635 9.592 0.234 1.00 0.00 C ATOM 851 O ASN A 811 -7.762 10.079 0.324 1.00 0.00 O ATOM 852 CB ASN A 811 -5.042 10.664 -1.348 1.00 0.00 C ATOM 853 CG ASN A 811 -4.189 11.890 -1.609 1.00 0.00 C ATOM 854 OD1 ASN A 811 -4.181 12.844 -0.827 1.00 0.00 O ATOM 855 ND2 ASN A 811 -3.465 11.873 -2.718 1.00 0.00 N ATOM 0 H ASN A 811 -3.486 9.679 0.305 1.00 0.00 H new ATOM 0 HA ASN A 811 -5.641 11.466 0.557 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -4.507 9.778 -1.689 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -5.956 10.732 -1.939 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -2.872 12.669 -2.952 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -3.501 11.064 -3.338 1.00 0.00 H new ATOM 862 N ILE A 812 -6.413 8.280 0.225 1.00 0.00 N ATOM 863 CA ILE A 812 -7.503 7.317 0.346 1.00 0.00 C ATOM 864 C ILE A 812 -8.229 7.499 1.677 1.00 0.00 C ATOM 865 O ILE A 812 -9.454 7.403 1.744 1.00 0.00 O ATOM 866 CB ILE A 812 -6.994 5.858 0.221 1.00 0.00 C ATOM 867 CG1 ILE A 812 -6.598 5.559 -1.226 1.00 0.00 C ATOM 868 CG2 ILE A 812 -8.051 4.864 0.691 1.00 0.00 C ATOM 869 CD1 ILE A 812 -5.291 4.809 -1.354 1.00 0.00 C ATOM 0 H ILE A 812 -5.488 7.860 0.135 1.00 0.00 H new ATOM 0 HA ILE A 812 -8.197 7.505 -0.473 1.00 0.00 H new ATOM 0 HB ILE A 812 -6.118 5.750 0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -7.389 4.976 -1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -6.524 6.498 -1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -7.666 3.849 0.592 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -8.295 5.059 1.735 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -8.949 4.972 0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -5.075 4.632 -2.408 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -4.488 5.399 -0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -5.367 3.854 -0.834 1.00 0.00 H new ATOM 881 N PHE A 813 -7.466 7.785 2.726 1.00 0.00 N ATOM 882 CA PHE A 813 -8.036 8.010 4.049 1.00 0.00 C ATOM 883 C PHE A 813 -8.960 9.225 4.040 1.00 0.00 C ATOM 884 O PHE A 813 -10.062 9.186 4.590 1.00 0.00 O ATOM 885 CB PHE A 813 -6.927 8.215 5.083 1.00 0.00 C ATOM 886 CG PHE A 813 -6.322 6.935 5.581 1.00 0.00 C ATOM 887 CD1 PHE A 813 -7.069 6.048 6.338 1.00 0.00 C ATOM 888 CD2 PHE A 813 -5.005 6.622 5.291 1.00 0.00 C ATOM 889 CE1 PHE A 813 -6.512 4.870 6.796 1.00 0.00 C ATOM 890 CE2 PHE A 813 -4.443 5.446 5.748 1.00 0.00 C ATOM 891 CZ PHE A 813 -5.197 4.569 6.500 1.00 0.00 C ATOM 0 H PHE A 813 -6.450 7.867 2.686 1.00 0.00 H new ATOM 0 HA PHE A 813 -8.617 7.128 4.319 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -6.142 8.831 4.644 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -7.330 8.770 5.930 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -8.097 6.280 6.573 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -4.411 7.304 4.701 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -7.104 4.185 7.385 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -3.414 5.213 5.517 1.00 0.00 H new ATOM 0 HZ PHE A 813 -4.760 3.648 6.857 1.00 0.00 H new ATOM 901 N SER A 814 -8.504 10.297 3.410 1.00 0.00 N ATOM 902 CA SER A 814 -9.272 11.531 3.327 1.00 0.00 C ATOM 903 C SER A 814 -10.479 11.380 2.400 1.00 0.00 C ATOM 904 O SER A 814 -11.502 12.044 2.579 1.00 0.00 O ATOM 905 CB SER A 814 -8.366 12.654 2.829 1.00 0.00 C ATOM 906 OG SER A 814 -7.004 12.262 2.888 1.00 0.00 O ATOM 0 H SER A 814 -7.597 10.337 2.945 1.00 0.00 H new ATOM 0 HA SER A 814 -9.649 11.770 4.321 1.00 0.00 H new ATOM 0 HB2 SER A 814 -8.631 12.914 1.804 1.00 0.00 H new ATOM 0 HB3 SER A 814 -8.519 13.547 3.434 1.00 0.00 H new ATOM 0 HG SER A 814 -6.439 12.994 2.563 1.00 0.00 H new ATOM 912 N SER A 815 -10.359 10.504 1.413 1.00 0.00 N ATOM 913 CA SER A 815 -11.418 10.313 0.432 1.00 0.00 C ATOM 914 C SER A 815 -12.195 9.026 0.697 1.00 0.00 C ATOM 915 O SER A 815 -12.824 8.474 -0.206 1.00 0.00 O ATOM 916 CB SER A 815 -10.825 10.295 -0.978 1.00 0.00 C ATOM 917 OG SER A 815 -9.741 11.206 -1.085 1.00 0.00 O ATOM 0 H SER A 815 -9.539 9.914 1.270 1.00 0.00 H new ATOM 0 HA SER A 815 -12.116 11.146 0.518 1.00 0.00 H new ATOM 0 HB2 SER A 815 -10.484 9.288 -1.220 1.00 0.00 H new ATOM 0 HB3 SER A 815 -11.596 10.554 -1.704 1.00 0.00 H new ATOM 0 HG SER A 815 -8.948 10.823 -0.655 1.00 0.00 H new ATOM 923 N MET A 816 -12.145 8.555 1.938 1.00 0.00 N ATOM 924 CA MET A 816 -12.874 7.355 2.338 1.00 0.00 C ATOM 925 C MET A 816 -14.374 7.580 2.192 1.00 0.00 C ATOM 926 O MET A 816 -15.002 8.242 3.021 1.00 0.00 O ATOM 927 CB MET A 816 -12.538 6.982 3.783 1.00 0.00 C ATOM 928 CG MET A 816 -12.384 5.487 4.003 1.00 0.00 C ATOM 929 SD MET A 816 -11.630 5.094 5.593 1.00 0.00 S ATOM 930 CE MET A 816 -10.158 4.230 5.056 1.00 0.00 C ATOM 0 H MET A 816 -11.605 8.987 2.688 1.00 0.00 H new ATOM 0 HA MET A 816 -12.574 6.534 1.687 1.00 0.00 H new ATOM 0 HB2 MET A 816 -11.613 7.481 4.073 1.00 0.00 H new ATOM 0 HB3 MET A 816 -13.323 7.359 4.439 1.00 0.00 H new ATOM 0 HG2 MET A 816 -13.363 5.012 3.942 1.00 0.00 H new ATOM 0 HG3 MET A 816 -11.775 5.067 3.203 1.00 0.00 H new ATOM 0 HE1 MET A 816 -9.415 4.247 5.853 1.00 0.00 H new ATOM 0 HE2 MET A 816 -10.409 3.197 4.817 1.00 0.00 H new ATOM 0 HE3 MET A 816 -9.752 4.719 4.170 1.00 0.00 H new ATOM 940 N GLY A 817 -14.935 7.035 1.128 1.00 0.00 N ATOM 941 CA GLY A 817 -16.334 7.240 0.830 1.00 0.00 C ATOM 942 C GLY A 817 -16.540 7.527 -0.639 1.00 0.00 C ATOM 943 O GLY A 817 -17.554 7.140 -1.223 1.00 0.00 O ATOM 0 H GLY A 817 -14.440 6.447 0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -16.903 6.355 1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -16.718 8.070 1.423 1.00 0.00 H new ATOM 947 N ASP A 818 -15.565 8.202 -1.235 1.00 0.00 N ATOM 948 CA ASP A 818 -15.576 8.469 -2.668 1.00 0.00 C ATOM 949 C ASP A 818 -14.922 7.306 -3.400 1.00 0.00 C ATOM 950 O ASP A 818 -13.717 7.318 -3.653 1.00 0.00 O ATOM 951 CB ASP A 818 -14.840 9.778 -2.984 1.00 0.00 C ATOM 952 CG ASP A 818 -15.122 10.294 -4.387 1.00 0.00 C ATOM 953 OD1 ASP A 818 -15.790 9.586 -5.175 1.00 0.00 O ATOM 954 OD2 ASP A 818 -14.684 11.421 -4.709 1.00 0.00 O ATOM 0 H ASP A 818 -14.752 8.576 -0.745 1.00 0.00 H new ATOM 0 HA ASP A 818 -16.608 8.575 -3.001 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -15.132 10.537 -2.258 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -13.767 9.622 -2.869 1.00 0.00 H new ATOM 959 N ALA A 819 -15.731 6.303 -3.719 1.00 0.00 N ATOM 960 CA ALA A 819 -15.254 5.070 -4.340 1.00 0.00 C ATOM 961 C ALA A 819 -14.438 5.346 -5.600 1.00 0.00 C ATOM 962 O ALA A 819 -13.385 4.741 -5.808 1.00 0.00 O ATOM 963 CB ALA A 819 -16.433 4.165 -4.662 1.00 0.00 C ATOM 0 H ALA A 819 -16.738 6.320 -3.555 1.00 0.00 H new ATOM 0 HA ALA A 819 -14.595 4.571 -3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -16.071 3.247 -5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -16.967 3.922 -3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -17.107 4.676 -5.349 1.00 0.00 H new ATOM 969 N GLY A 820 -14.920 6.275 -6.422 1.00 0.00 N ATOM 970 CA GLY A 820 -14.229 6.614 -7.655 1.00 0.00 C ATOM 971 C GLY A 820 -12.821 7.127 -7.412 1.00 0.00 C ATOM 972 O GLY A 820 -11.875 6.714 -8.090 1.00 0.00 O ATOM 0 H GLY A 820 -15.779 6.800 -6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -14.186 5.734 -8.297 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -14.800 7.372 -8.191 1.00 0.00 H new ATOM 976 N GLU A 821 -12.683 8.013 -6.433 1.00 0.00 N ATOM 977 CA GLU A 821 -11.385 8.577 -6.087 1.00 0.00 C ATOM 978 C GLU A 821 -10.526 7.542 -5.370 1.00 0.00 C ATOM 979 O GLU A 821 -9.327 7.431 -5.623 1.00 0.00 O ATOM 980 CB GLU A 821 -11.562 9.814 -5.204 1.00 0.00 C ATOM 981 CG GLU A 821 -10.251 10.404 -4.712 1.00 0.00 C ATOM 982 CD GLU A 821 -9.729 11.492 -5.621 1.00 0.00 C ATOM 983 OE1 GLU A 821 -10.417 12.522 -5.776 1.00 0.00 O ATOM 984 OE2 GLU A 821 -8.623 11.330 -6.179 1.00 0.00 O ATOM 0 H GLU A 821 -13.456 8.357 -5.864 1.00 0.00 H new ATOM 0 HA GLU A 821 -10.881 8.870 -7.008 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -12.105 10.575 -5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -12.178 9.551 -4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -10.392 10.809 -3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -9.506 9.612 -4.634 1.00 0.00 H new ATOM 991 N MET A 822 -11.153 6.784 -4.479 1.00 0.00 N ATOM 992 CA MET A 822 -10.457 5.755 -3.720 1.00 0.00 C ATOM 993 C MET A 822 -9.831 4.732 -4.655 1.00 0.00 C ATOM 994 O MET A 822 -8.663 4.375 -4.505 1.00 0.00 O ATOM 995 CB MET A 822 -11.420 5.061 -2.760 1.00 0.00 C ATOM 996 CG MET A 822 -11.482 5.705 -1.385 1.00 0.00 C ATOM 997 SD MET A 822 -12.867 5.099 -0.404 1.00 0.00 S ATOM 998 CE MET A 822 -12.694 3.333 -0.645 1.00 0.00 C ATOM 0 H MET A 822 -12.147 6.864 -4.264 1.00 0.00 H new ATOM 0 HA MET A 822 -9.665 6.233 -3.144 1.00 0.00 H new ATOM 0 HB2 MET A 822 -12.418 5.062 -3.197 1.00 0.00 H new ATOM 0 HB3 MET A 822 -11.121 4.019 -2.650 1.00 0.00 H new ATOM 0 HG2 MET A 822 -10.551 5.510 -0.853 1.00 0.00 H new ATOM 0 HG3 MET A 822 -11.565 6.786 -1.497 1.00 0.00 H new ATOM 0 HE1 MET A 822 -13.223 2.804 0.148 1.00 0.00 H new ATOM 0 HE2 MET A 822 -13.115 3.055 -1.611 1.00 0.00 H new ATOM 0 HE3 MET A 822 -11.638 3.064 -0.619 1.00 0.00 H new ATOM 1008 N VAL A 823 -10.613 4.274 -5.627 1.00 0.00 N ATOM 1009 CA VAL A 823 -10.128 3.335 -6.629 1.00 0.00 C ATOM 1010 C VAL A 823 -9.016 3.970 -7.457 1.00 0.00 C ATOM 1011 O VAL A 823 -8.008 3.328 -7.754 1.00 0.00 O ATOM 1012 CB VAL A 823 -11.275 2.860 -7.553 1.00 0.00 C ATOM 1013 CG1 VAL A 823 -10.754 2.386 -8.902 1.00 0.00 C ATOM 1014 CG2 VAL A 823 -12.069 1.757 -6.879 1.00 0.00 C ATOM 0 H VAL A 823 -11.591 4.541 -5.741 1.00 0.00 H new ATOM 0 HA VAL A 823 -9.730 2.465 -6.107 1.00 0.00 H new ATOM 0 HB VAL A 823 -11.928 3.714 -7.734 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -11.590 2.061 -9.521 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -10.232 3.204 -9.398 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -10.067 1.553 -8.754 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -12.873 1.432 -7.539 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -11.412 0.914 -6.665 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -12.494 2.131 -5.948 1.00 0.00 H new ATOM 1024 N ARG A 824 -9.200 5.240 -7.808 1.00 0.00 N ATOM 1025 CA ARG A 824 -8.199 5.984 -8.560 1.00 0.00 C ATOM 1026 C ARG A 824 -6.857 5.955 -7.838 1.00 0.00 C ATOM 1027 O ARG A 824 -5.845 5.546 -8.407 1.00 0.00 O ATOM 1028 CB ARG A 824 -8.649 7.434 -8.761 1.00 0.00 C ATOM 1029 CG ARG A 824 -7.642 8.283 -9.516 1.00 0.00 C ATOM 1030 CD ARG A 824 -7.630 9.716 -9.011 1.00 0.00 C ATOM 1031 NE ARG A 824 -7.884 10.672 -10.085 1.00 0.00 N ATOM 1032 CZ ARG A 824 -8.344 11.905 -9.891 1.00 0.00 C ATOM 1033 NH1 ARG A 824 -8.634 12.324 -8.668 1.00 0.00 N ATOM 1034 NH2 ARG A 824 -8.525 12.719 -10.922 1.00 0.00 N ATOM 0 H ARG A 824 -10.038 5.776 -7.581 1.00 0.00 H new ATOM 0 HA ARG A 824 -8.085 5.511 -9.535 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -9.595 7.440 -9.302 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -8.835 7.886 -7.787 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -6.647 7.850 -9.409 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -7.881 8.273 -10.579 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -8.385 9.834 -8.234 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -6.665 9.932 -8.553 1.00 0.00 H new ATOM 0 HE ARG A 824 -7.697 10.376 -11.043 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -8.505 11.700 -7.871 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -8.986 13.270 -8.523 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -8.311 12.400 -11.867 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -8.878 13.664 -10.770 1.00 0.00 H new ATOM 1048 N GLN A 825 -6.862 6.375 -6.577 1.00 0.00 N ATOM 1049 CA GLN A 825 -5.645 6.407 -5.781 1.00 0.00 C ATOM 1050 C GLN A 825 -5.097 4.997 -5.578 1.00 0.00 C ATOM 1051 O GLN A 825 -3.893 4.778 -5.659 1.00 0.00 O ATOM 1052 CB GLN A 825 -5.906 7.082 -4.433 1.00 0.00 C ATOM 1053 CG GLN A 825 -6.550 8.456 -4.552 1.00 0.00 C ATOM 1054 CD GLN A 825 -5.565 9.540 -4.949 1.00 0.00 C ATOM 1055 OE1 GLN A 825 -4.369 9.444 -4.672 1.00 0.00 O ATOM 1056 NE2 GLN A 825 -6.062 10.584 -5.594 1.00 0.00 N ATOM 0 H GLN A 825 -7.696 6.697 -6.086 1.00 0.00 H new ATOM 0 HA GLN A 825 -4.897 6.989 -6.320 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -6.550 6.439 -3.833 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -4.962 7.178 -3.896 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -7.351 8.413 -5.290 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -7.008 8.720 -3.599 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -7.059 10.626 -5.805 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -5.448 11.346 -5.880 1.00 0.00 H new ATOM 1065 N ALA A 826 -5.985 4.038 -5.337 1.00 0.00 N ATOM 1066 CA ALA A 826 -5.579 2.647 -5.150 1.00 0.00 C ATOM 1067 C ALA A 826 -4.852 2.118 -6.384 1.00 0.00 C ATOM 1068 O ALA A 826 -3.852 1.406 -6.272 1.00 0.00 O ATOM 1069 CB ALA A 826 -6.786 1.777 -4.833 1.00 0.00 C ATOM 0 H ALA A 826 -6.990 4.197 -5.266 1.00 0.00 H new ATOM 0 HA ALA A 826 -4.889 2.608 -4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -6.465 0.744 -4.697 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -7.261 2.133 -3.919 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -7.499 1.830 -5.656 1.00 0.00 H new ATOM 1075 N ARG A 827 -5.356 2.477 -7.560 1.00 0.00 N ATOM 1076 CA ARG A 827 -4.735 2.072 -8.815 1.00 0.00 C ATOM 1077 C ARG A 827 -3.332 2.656 -8.926 1.00 0.00 C ATOM 1078 O ARG A 827 -2.407 1.991 -9.396 1.00 0.00 O ATOM 1079 CB ARG A 827 -5.590 2.513 -10.005 1.00 0.00 C ATOM 1080 CG ARG A 827 -6.824 1.648 -10.217 1.00 0.00 C ATOM 1081 CD ARG A 827 -7.439 1.871 -11.590 1.00 0.00 C ATOM 1082 NE ARG A 827 -6.698 1.175 -12.639 1.00 0.00 N ATOM 1083 CZ ARG A 827 -6.900 -0.096 -12.988 1.00 0.00 C ATOM 1084 NH1 ARG A 827 -7.861 -0.812 -12.413 1.00 0.00 N ATOM 1085 NH2 ARG A 827 -6.144 -0.640 -13.932 1.00 0.00 N ATOM 0 H ARG A 827 -6.194 3.048 -7.670 1.00 0.00 H new ATOM 0 HA ARG A 827 -4.662 0.985 -8.827 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -5.902 3.547 -9.856 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -4.981 2.491 -10.908 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -6.556 0.598 -10.105 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -7.562 1.872 -9.447 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -8.473 1.525 -11.585 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -7.461 2.939 -11.809 1.00 0.00 H new ATOM 0 HE ARG A 827 -5.977 1.696 -13.138 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -8.453 -0.390 -11.697 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -8.007 -1.783 -12.688 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -5.416 -0.087 -14.384 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -6.291 -1.611 -14.206 1.00 0.00 H new ATOM 1099 N ILE A 828 -3.177 3.899 -8.482 1.00 0.00 N ATOM 1100 CA ILE A 828 -1.870 4.544 -8.452 1.00 0.00 C ATOM 1101 C ILE A 828 -0.967 3.863 -7.425 1.00 0.00 C ATOM 1102 O ILE A 828 0.208 3.608 -7.690 1.00 0.00 O ATOM 1103 CB ILE A 828 -1.986 6.049 -8.114 1.00 0.00 C ATOM 1104 CG1 ILE A 828 -2.907 6.753 -9.114 1.00 0.00 C ATOM 1105 CG2 ILE A 828 -0.613 6.708 -8.107 1.00 0.00 C ATOM 1106 CD1 ILE A 828 -3.634 7.946 -8.532 1.00 0.00 C ATOM 0 H ILE A 828 -3.941 4.480 -8.138 1.00 0.00 H new ATOM 0 HA ILE A 828 -1.435 4.447 -9.447 1.00 0.00 H new ATOM 0 HB ILE A 828 -2.417 6.141 -7.117 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -2.317 7.080 -9.971 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -3.640 6.037 -9.486 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -0.718 7.766 -7.867 1.00 0.00 H new ATOM 0 HG22 ILE A 828 0.017 6.227 -7.359 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -0.154 6.603 -9.090 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -4.268 8.395 -9.297 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -4.251 7.623 -7.694 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -2.908 8.681 -8.186 1.00 0.00 H new ATOM 1118 N LEU A 829 -1.539 3.562 -6.263 1.00 0.00 N ATOM 1119 CA LEU A 829 -0.816 2.903 -5.178 1.00 0.00 C ATOM 1120 C LEU A 829 -0.177 1.602 -5.653 1.00 0.00 C ATOM 1121 O LEU A 829 1.008 1.367 -5.424 1.00 0.00 O ATOM 1122 CB LEU A 829 -1.768 2.621 -4.007 1.00 0.00 C ATOM 1123 CG LEU A 829 -1.119 2.040 -2.746 1.00 0.00 C ATOM 1124 CD1 LEU A 829 0.168 2.778 -2.410 1.00 0.00 C ATOM 1125 CD2 LEU A 829 -2.088 2.108 -1.577 1.00 0.00 C ATOM 0 H LEU A 829 -2.514 3.767 -6.046 1.00 0.00 H new ATOM 0 HA LEU A 829 -0.022 3.571 -4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -2.270 3.551 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -2.539 1.930 -4.348 1.00 0.00 H new ATOM 0 HG LEU A 829 -0.872 0.996 -2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 829 0.610 2.348 -1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 829 0.869 2.684 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -0.051 3.832 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -1.615 1.692 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -2.361 3.147 -1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -2.984 1.534 -1.813 1.00 0.00 H new ATOM 1137 N ALA A 830 -0.966 0.775 -6.331 1.00 0.00 N ATOM 1138 CA ALA A 830 -0.483 -0.503 -6.840 1.00 0.00 C ATOM 1139 C ALA A 830 0.767 -0.317 -7.695 1.00 0.00 C ATOM 1140 O ALA A 830 1.763 -1.020 -7.523 1.00 0.00 O ATOM 1141 CB ALA A 830 -1.576 -1.196 -7.639 1.00 0.00 C ATOM 0 H ALA A 830 -1.945 0.968 -6.541 1.00 0.00 H new ATOM 0 HA ALA A 830 -0.217 -1.130 -5.989 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -1.204 -2.149 -8.014 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -2.440 -1.371 -6.998 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -1.869 -0.565 -8.478 1.00 0.00 H new ATOM 1147 N GLN A 831 0.717 0.652 -8.601 1.00 0.00 N ATOM 1148 CA GLN A 831 1.844 0.932 -9.479 1.00 0.00 C ATOM 1149 C GLN A 831 3.023 1.494 -8.690 1.00 0.00 C ATOM 1150 O GLN A 831 4.167 1.083 -8.887 1.00 0.00 O ATOM 1151 CB GLN A 831 1.434 1.914 -10.576 1.00 0.00 C ATOM 1152 CG GLN A 831 1.716 1.405 -11.979 1.00 0.00 C ATOM 1153 CD GLN A 831 0.683 0.399 -12.455 1.00 0.00 C ATOM 1154 OE1 GLN A 831 -0.482 0.447 -12.057 1.00 0.00 O ATOM 1155 NE2 GLN A 831 1.097 -0.519 -13.312 1.00 0.00 N ATOM 0 H GLN A 831 -0.092 1.256 -8.746 1.00 0.00 H new ATOM 0 HA GLN A 831 2.153 -0.006 -9.940 1.00 0.00 H new ATOM 0 HB2 GLN A 831 0.369 2.128 -10.482 1.00 0.00 H new ATOM 0 HB3 GLN A 831 1.962 2.856 -10.426 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.741 2.248 -12.669 1.00 0.00 H new ATOM 0 HG3 GLN A 831 2.704 0.945 -12.003 1.00 0.00 H new ATOM 0 HE21 GLN A 831 2.069 -0.528 -13.620 1.00 0.00 H new ATOM 0 HE22 GLN A 831 0.444 -1.218 -13.666 1.00 0.00 H new ATOM 1164 N ALA A 832 2.731 2.418 -7.783 1.00 0.00 N ATOM 1165 CA ALA A 832 3.765 3.084 -7.001 1.00 0.00 C ATOM 1166 C ALA A 832 4.553 2.092 -6.149 1.00 0.00 C ATOM 1167 O ALA A 832 5.784 2.131 -6.120 1.00 0.00 O ATOM 1168 CB ALA A 832 3.149 4.166 -6.126 1.00 0.00 C ATOM 0 H ALA A 832 1.782 2.724 -7.570 1.00 0.00 H new ATOM 0 HA ALA A 832 4.464 3.546 -7.698 1.00 0.00 H new ATOM 0 HB1 ALA A 832 3.932 4.656 -5.547 1.00 0.00 H new ATOM 0 HB2 ALA A 832 2.649 4.902 -6.755 1.00 0.00 H new ATOM 0 HB3 ALA A 832 2.424 3.716 -5.448 1.00 0.00 H new ATOM 1174 N THR A 833 3.849 1.202 -5.461 1.00 0.00 N ATOM 1175 CA THR A 833 4.502 0.202 -4.629 1.00 0.00 C ATOM 1176 C THR A 833 5.298 -0.789 -5.474 1.00 0.00 C ATOM 1177 O THR A 833 6.374 -1.232 -5.072 1.00 0.00 O ATOM 1178 CB THR A 833 3.487 -0.559 -3.761 1.00 0.00 C ATOM 1179 OG1 THR A 833 2.613 0.368 -3.112 1.00 0.00 O ATOM 1180 CG2 THR A 833 4.202 -1.406 -2.719 1.00 0.00 C ATOM 0 H THR A 833 2.830 1.153 -5.463 1.00 0.00 H new ATOM 0 HA THR A 833 5.189 0.737 -3.973 1.00 0.00 H new ATOM 0 HB THR A 833 2.904 -1.217 -4.405 1.00 0.00 H new ATOM 0 HG1 THR A 833 2.044 -0.111 -2.474 1.00 0.00 H new ATOM 0 HG21 THR A 833 3.466 -1.937 -2.115 1.00 0.00 H new ATOM 0 HG22 THR A 833 4.850 -2.127 -3.218 1.00 0.00 H new ATOM 0 HG23 THR A 833 4.803 -0.762 -2.077 1.00 0.00 H new ATOM 1188 N SER A 834 4.775 -1.125 -6.650 1.00 0.00 N ATOM 1189 CA SER A 834 5.482 -2.014 -7.565 1.00 0.00 C ATOM 1190 C SER A 834 6.833 -1.411 -7.944 1.00 0.00 C ATOM 1191 O SER A 834 7.837 -2.117 -8.042 1.00 0.00 O ATOM 1192 CB SER A 834 4.642 -2.274 -8.820 1.00 0.00 C ATOM 1193 OG SER A 834 3.383 -2.839 -8.484 1.00 0.00 O ATOM 0 H SER A 834 3.871 -0.798 -6.990 1.00 0.00 H new ATOM 0 HA SER A 834 5.651 -2.967 -7.063 1.00 0.00 H new ATOM 0 HB2 SER A 834 4.492 -1.340 -9.361 1.00 0.00 H new ATOM 0 HB3 SER A 834 5.179 -2.947 -9.488 1.00 0.00 H new ATOM 0 HG SER A 834 2.775 -2.130 -8.186 1.00 0.00 H new ATOM 1199 N ASP A 835 6.851 -0.093 -8.121 1.00 0.00 N ATOM 1200 CA ASP A 835 8.080 0.622 -8.435 1.00 0.00 C ATOM 1201 C ASP A 835 9.025 0.599 -7.241 1.00 0.00 C ATOM 1202 O ASP A 835 10.227 0.381 -7.392 1.00 0.00 O ATOM 1203 CB ASP A 835 7.775 2.068 -8.825 1.00 0.00 C ATOM 1204 CG ASP A 835 7.990 2.333 -10.300 1.00 0.00 C ATOM 1205 OD1 ASP A 835 8.988 1.839 -10.863 1.00 0.00 O ATOM 1206 OD2 ASP A 835 7.150 3.032 -10.909 1.00 0.00 O ATOM 0 H ASP A 835 6.025 0.501 -8.052 1.00 0.00 H new ATOM 0 HA ASP A 835 8.559 0.124 -9.278 1.00 0.00 H new ATOM 0 HB2 ASP A 835 6.742 2.300 -8.565 1.00 0.00 H new ATOM 0 HB3 ASP A 835 8.408 2.738 -8.244 1.00 0.00 H new ATOM 1211 N LEU A 836 8.465 0.815 -6.054 1.00 0.00 N ATOM 1212 CA LEU A 836 9.237 0.816 -4.814 1.00 0.00 C ATOM 1213 C LEU A 836 9.895 -0.543 -4.582 1.00 0.00 C ATOM 1214 O LEU A 836 11.105 -0.628 -4.371 1.00 0.00 O ATOM 1215 CB LEU A 836 8.326 1.176 -3.634 1.00 0.00 C ATOM 1216 CG LEU A 836 8.920 0.961 -2.240 1.00 0.00 C ATOM 1217 CD1 LEU A 836 10.001 1.991 -1.958 1.00 0.00 C ATOM 1218 CD2 LEU A 836 7.831 1.038 -1.187 1.00 0.00 C ATOM 0 H LEU A 836 7.469 0.993 -5.924 1.00 0.00 H new ATOM 0 HA LEU A 836 10.026 1.564 -4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 836 8.039 2.223 -3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 836 7.412 0.587 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 836 9.370 -0.031 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 836 10.412 1.823 -0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 836 10.795 1.898 -2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 836 9.572 2.992 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 836 8.267 0.883 -0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 836 7.357 2.019 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.085 0.267 -1.378 1.00 0.00 H new ATOM 1230 N VAL A 837 9.094 -1.599 -4.641 1.00 0.00 N ATOM 1231 CA VAL A 837 9.582 -2.951 -4.392 1.00 0.00 C ATOM 1232 C VAL A 837 10.614 -3.363 -5.440 1.00 0.00 C ATOM 1233 O VAL A 837 11.657 -3.925 -5.104 1.00 0.00 O ATOM 1234 CB VAL A 837 8.423 -3.973 -4.369 1.00 0.00 C ATOM 1235 CG1 VAL A 837 8.946 -5.398 -4.228 1.00 0.00 C ATOM 1236 CG2 VAL A 837 7.454 -3.650 -3.240 1.00 0.00 C ATOM 0 H VAL A 837 8.099 -1.546 -4.860 1.00 0.00 H new ATOM 0 HA VAL A 837 10.058 -2.946 -3.412 1.00 0.00 H new ATOM 0 HB VAL A 837 7.893 -3.902 -5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 837 8.107 -6.094 -4.215 1.00 0.00 H new ATOM 0 HG12 VAL A 837 9.598 -5.631 -5.070 1.00 0.00 H new ATOM 0 HG13 VAL A 837 9.508 -5.489 -3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.643 -4.379 -3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.980 -3.689 -2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.044 -2.651 -3.387 1.00 0.00 H new ATOM 1246 N ASN A 838 10.329 -3.061 -6.701 1.00 0.00 N ATOM 1247 CA ASN A 838 11.245 -3.386 -7.790 1.00 0.00 C ATOM 1248 C ASN A 838 12.580 -2.666 -7.607 1.00 0.00 C ATOM 1249 O ASN A 838 13.647 -3.261 -7.783 1.00 0.00 O ATOM 1250 CB ASN A 838 10.628 -3.012 -9.142 1.00 0.00 C ATOM 1251 CG ASN A 838 11.613 -3.145 -10.290 1.00 0.00 C ATOM 1252 OD1 ASN A 838 12.033 -4.250 -10.642 1.00 0.00 O ATOM 1253 ND2 ASN A 838 11.984 -2.023 -10.884 1.00 0.00 N ATOM 0 H ASN A 838 9.472 -2.592 -6.996 1.00 0.00 H new ATOM 0 HA ASN A 838 11.424 -4.461 -7.771 1.00 0.00 H new ATOM 0 HB2 ASN A 838 9.765 -3.650 -9.333 1.00 0.00 H new ATOM 0 HB3 ASN A 838 10.262 -1.986 -9.099 1.00 0.00 H new ATOM 0 HD21 ASN A 838 12.641 -2.052 -11.664 1.00 0.00 H new ATOM 0 HD22 ASN A 838 11.613 -1.129 -10.562 1.00 0.00 H new ATOM 1260 N ALA A 839 12.509 -1.389 -7.235 1.00 0.00 N ATOM 1261 CA ALA A 839 13.704 -0.588 -6.998 1.00 0.00 C ATOM 1262 C ALA A 839 14.570 -1.227 -5.928 1.00 0.00 C ATOM 1263 O ALA A 839 15.763 -1.449 -6.128 1.00 0.00 O ATOM 1264 CB ALA A 839 13.327 0.826 -6.580 1.00 0.00 C ATOM 0 H ALA A 839 11.632 -0.887 -7.091 1.00 0.00 H new ATOM 0 HA ALA A 839 14.270 -0.541 -7.929 1.00 0.00 H new ATOM 0 HB1 ALA A 839 14.232 1.408 -6.408 1.00 0.00 H new ATOM 0 HB2 ALA A 839 12.739 1.294 -7.370 1.00 0.00 H new ATOM 0 HB3 ALA A 839 12.739 0.790 -5.663 1.00 0.00 H new ATOM 1270 N ILE A 840 13.948 -1.536 -4.800 1.00 0.00 N ATOM 1271 CA ILE A 840 14.645 -2.143 -3.677 1.00 0.00 C ATOM 1272 C ILE A 840 15.224 -3.497 -4.057 1.00 0.00 C ATOM 1273 O ILE A 840 16.379 -3.785 -3.762 1.00 0.00 O ATOM 1274 CB ILE A 840 13.707 -2.305 -2.467 1.00 0.00 C ATOM 1275 CG1 ILE A 840 13.269 -0.933 -1.967 1.00 0.00 C ATOM 1276 CG2 ILE A 840 14.385 -3.085 -1.351 1.00 0.00 C ATOM 1277 CD1 ILE A 840 11.973 -0.956 -1.199 1.00 0.00 C ATOM 0 H ILE A 840 12.954 -1.375 -4.638 1.00 0.00 H new ATOM 0 HA ILE A 840 15.462 -1.475 -3.404 1.00 0.00 H new ATOM 0 HB ILE A 840 12.829 -2.868 -2.782 1.00 0.00 H new ATOM 0 HG12 ILE A 840 14.052 -0.521 -1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 840 13.165 -0.261 -2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 840 13.700 -3.185 -0.509 1.00 0.00 H new ATOM 0 HG22 ILE A 840 14.660 -4.075 -1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 840 15.281 -2.555 -1.029 1.00 0.00 H new ATOM 0 HD11 ILE A 840 11.724 0.054 -0.875 1.00 0.00 H new ATOM 0 HD12 ILE A 840 11.178 -1.338 -1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 840 12.078 -1.601 -0.327 1.00 0.00 H new ATOM 1289 N LYS A 841 14.425 -4.317 -4.728 1.00 0.00 N ATOM 1290 CA LYS A 841 14.858 -5.649 -5.130 1.00 0.00 C ATOM 1291 C LYS A 841 16.151 -5.586 -5.940 1.00 0.00 C ATOM 1292 O LYS A 841 17.114 -6.292 -5.645 1.00 0.00 O ATOM 1293 CB LYS A 841 13.763 -6.342 -5.943 1.00 0.00 C ATOM 1294 CG LYS A 841 14.081 -7.789 -6.287 1.00 0.00 C ATOM 1295 CD LYS A 841 13.941 -8.052 -7.777 1.00 0.00 C ATOM 1296 CE LYS A 841 15.243 -7.785 -8.517 1.00 0.00 C ATOM 1297 NZ LYS A 841 16.004 -9.036 -8.776 1.00 0.00 N ATOM 0 H LYS A 841 13.472 -4.082 -5.006 1.00 0.00 H new ATOM 0 HA LYS A 841 15.049 -6.227 -4.226 1.00 0.00 H new ATOM 0 HB2 LYS A 841 12.829 -6.308 -5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 841 13.601 -5.785 -6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 841 15.097 -8.025 -5.969 1.00 0.00 H new ATOM 0 HG3 LYS A 841 13.413 -8.450 -5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 841 13.636 -9.086 -7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 841 13.153 -7.420 -8.186 1.00 0.00 H new ATOM 0 HE2 LYS A 841 15.027 -7.290 -9.464 1.00 0.00 H new ATOM 0 HE3 LYS A 841 15.858 -7.101 -7.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 16.876 -8.811 -9.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 16.248 -9.487 -7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 15.421 -9.686 -9.341 1.00 0.00 H new ATOM 1311 N ALA A 842 16.173 -4.727 -6.949 1.00 0.00 N ATOM 1312 CA ALA A 842 17.326 -4.620 -7.829 1.00 0.00 C ATOM 1313 C ALA A 842 18.504 -3.951 -7.125 1.00 0.00 C ATOM 1314 O ALA A 842 19.653 -4.373 -7.282 1.00 0.00 O ATOM 1315 CB ALA A 842 16.958 -3.856 -9.091 1.00 0.00 C ATOM 0 H ALA A 842 15.406 -4.095 -7.178 1.00 0.00 H new ATOM 0 HA ALA A 842 17.632 -5.629 -8.104 1.00 0.00 H new ATOM 0 HB1 ALA A 842 17.831 -3.784 -9.740 1.00 0.00 H new ATOM 0 HB2 ALA A 842 16.159 -4.381 -9.614 1.00 0.00 H new ATOM 0 HB3 ALA A 842 16.620 -2.855 -8.825 1.00 0.00 H new ATOM 1321 N ASP A 843 18.213 -2.924 -6.342 1.00 0.00 N ATOM 1322 CA ASP A 843 19.254 -2.145 -5.679 1.00 0.00 C ATOM 1323 C ASP A 843 19.889 -2.917 -4.524 1.00 0.00 C ATOM 1324 O ASP A 843 21.113 -2.963 -4.397 1.00 0.00 O ATOM 1325 CB ASP A 843 18.677 -0.825 -5.170 1.00 0.00 C ATOM 1326 CG ASP A 843 19.682 -0.016 -4.381 1.00 0.00 C ATOM 1327 OD1 ASP A 843 20.743 0.340 -4.940 1.00 0.00 O ATOM 1328 OD2 ASP A 843 19.412 0.272 -3.201 1.00 0.00 O ATOM 0 H ASP A 843 17.263 -2.608 -6.148 1.00 0.00 H new ATOM 0 HA ASP A 843 20.034 -1.943 -6.413 1.00 0.00 H new ATOM 0 HB2 ASP A 843 18.327 -0.235 -6.017 1.00 0.00 H new ATOM 0 HB3 ASP A 843 17.809 -1.030 -4.543 1.00 0.00 H new ATOM 1333 N ALA A 844 19.057 -3.540 -3.698 1.00 0.00 N ATOM 1334 CA ALA A 844 19.535 -4.254 -2.516 1.00 0.00 C ATOM 1335 C ALA A 844 20.401 -5.451 -2.895 1.00 0.00 C ATOM 1336 O ALA A 844 21.292 -5.841 -2.141 1.00 0.00 O ATOM 1337 CB ALA A 844 18.366 -4.703 -1.656 1.00 0.00 C ATOM 0 H ALA A 844 18.045 -3.566 -3.824 1.00 0.00 H new ATOM 0 HA ALA A 844 20.153 -3.563 -1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 844 18.741 -5.233 -0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 844 17.794 -3.832 -1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 844 17.723 -5.367 -2.234 1.00 0.00 H new ATOM 1343 N GLU A 845 20.145 -6.021 -4.067 1.00 0.00 N ATOM 1344 CA GLU A 845 20.933 -7.150 -4.554 1.00 0.00 C ATOM 1345 C GLU A 845 22.368 -6.722 -4.860 1.00 0.00 C ATOM 1346 O GLU A 845 23.269 -7.556 -4.961 1.00 0.00 O ATOM 1347 CB GLU A 845 20.290 -7.752 -5.802 1.00 0.00 C ATOM 1348 CG GLU A 845 19.303 -8.868 -5.499 1.00 0.00 C ATOM 1349 CD GLU A 845 18.351 -9.132 -6.646 1.00 0.00 C ATOM 1350 OE1 GLU A 845 18.662 -8.738 -7.792 1.00 0.00 O ATOM 1351 OE2 GLU A 845 17.283 -9.731 -6.412 1.00 0.00 O ATOM 0 H GLU A 845 19.401 -5.722 -4.697 1.00 0.00 H new ATOM 0 HA GLU A 845 20.958 -7.906 -3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 845 19.777 -6.964 -6.353 1.00 0.00 H new ATOM 0 HB3 GLU A 845 21.073 -8.138 -6.454 1.00 0.00 H new ATOM 0 HG2 GLU A 845 19.852 -9.781 -5.270 1.00 0.00 H new ATOM 0 HG3 GLU A 845 18.730 -8.609 -4.609 1.00 0.00 H new ATOM 1358 N GLY A 846 22.568 -5.419 -5.006 1.00 0.00 N ATOM 1359 CA GLY A 846 23.895 -4.893 -5.244 1.00 0.00 C ATOM 1360 C GLY A 846 24.446 -4.178 -4.029 1.00 0.00 C ATOM 1361 O GLY A 846 25.578 -3.689 -4.045 1.00 0.00 O ATOM 0 H GLY A 846 21.831 -4.715 -4.963 1.00 0.00 H new ATOM 0 HA2 GLY A 846 24.564 -5.708 -5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 846 23.866 -4.204 -6.088 1.00 0.00 H new ATOM 1365 N GLU A 847 23.649 -4.129 -2.969 1.00 0.00 N ATOM 1366 CA GLU A 847 24.039 -3.439 -1.748 1.00 0.00 C ATOM 1367 C GLU A 847 25.172 -4.189 -1.055 1.00 0.00 C ATOM 1368 O GLU A 847 25.135 -5.415 -0.922 1.00 0.00 O ATOM 1369 CB GLU A 847 22.827 -3.276 -0.815 1.00 0.00 C ATOM 1370 CG GLU A 847 23.180 -3.029 0.647 1.00 0.00 C ATOM 1371 CD GLU A 847 23.782 -1.660 0.895 1.00 0.00 C ATOM 1372 OE1 GLU A 847 23.014 -0.687 1.051 1.00 0.00 O ATOM 1373 OE2 GLU A 847 25.029 -1.555 0.942 1.00 0.00 O ATOM 0 H GLU A 847 22.726 -4.561 -2.931 1.00 0.00 H new ATOM 0 HA GLU A 847 24.401 -2.444 -2.005 1.00 0.00 H new ATOM 0 HB2 GLU A 847 22.218 -2.446 -1.173 1.00 0.00 H new ATOM 0 HB3 GLU A 847 22.212 -4.173 -0.880 1.00 0.00 H new ATOM 0 HG2 GLU A 847 22.281 -3.139 1.254 1.00 0.00 H new ATOM 0 HG3 GLU A 847 23.883 -3.793 0.978 1.00 0.00 H new ATOM 1380 N SER A 848 26.178 -3.432 -0.645 1.00 0.00 N ATOM 1381 CA SER A 848 27.344 -3.964 0.043 1.00 0.00 C ATOM 1382 C SER A 848 26.953 -4.689 1.330 1.00 0.00 C ATOM 1383 O SER A 848 27.453 -5.779 1.619 1.00 0.00 O ATOM 1384 CB SER A 848 28.289 -2.809 0.365 1.00 0.00 C ATOM 1385 OG SER A 848 27.707 -1.566 -0.016 1.00 0.00 O ATOM 0 H SER A 848 26.208 -2.422 -0.782 1.00 0.00 H new ATOM 0 HA SER A 848 27.835 -4.689 -0.606 1.00 0.00 H new ATOM 0 HB2 SER A 848 28.512 -2.801 1.432 1.00 0.00 H new ATOM 0 HB3 SER A 848 29.235 -2.949 -0.157 1.00 0.00 H new ATOM 0 HG SER A 848 28.325 -0.836 0.199 1.00 0.00 H new ATOM 1391 N ASP A 849 26.057 -4.076 2.090 1.00 0.00 N ATOM 1392 CA ASP A 849 25.613 -4.634 3.362 1.00 0.00 C ATOM 1393 C ASP A 849 24.462 -5.608 3.145 1.00 0.00 C ATOM 1394 O ASP A 849 23.314 -5.198 2.989 1.00 0.00 O ATOM 1395 CB ASP A 849 25.176 -3.513 4.302 1.00 0.00 C ATOM 1396 CG ASP A 849 25.328 -3.885 5.761 1.00 0.00 C ATOM 1397 OD1 ASP A 849 24.677 -4.852 6.210 1.00 0.00 O ATOM 1398 OD2 ASP A 849 26.104 -3.205 6.471 1.00 0.00 O ATOM 0 H ASP A 849 25.620 -3.187 1.847 1.00 0.00 H new ATOM 0 HA ASP A 849 26.446 -5.173 3.813 1.00 0.00 H new ATOM 0 HB2 ASP A 849 25.766 -2.620 4.095 1.00 0.00 H new ATOM 0 HB3 ASP A 849 24.135 -3.261 4.102 1.00 0.00 H new ATOM 1403 N LEU A 850 24.773 -6.898 3.154 1.00 0.00 N ATOM 1404 CA LEU A 850 23.787 -7.931 2.851 1.00 0.00 C ATOM 1405 C LEU A 850 22.729 -8.030 3.942 1.00 0.00 C ATOM 1406 O LEU A 850 21.602 -8.461 3.688 1.00 0.00 O ATOM 1407 CB LEU A 850 24.474 -9.286 2.660 1.00 0.00 C ATOM 1408 CG LEU A 850 24.597 -9.754 1.209 1.00 0.00 C ATOM 1409 CD1 LEU A 850 23.233 -9.787 0.537 1.00 0.00 C ATOM 1410 CD2 LEU A 850 25.553 -8.856 0.439 1.00 0.00 C ATOM 0 H LEU A 850 25.704 -7.256 3.369 1.00 0.00 H new ATOM 0 HA LEU A 850 23.289 -7.650 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 850 25.472 -9.234 3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 850 23.921 -10.038 3.222 1.00 0.00 H new ATOM 0 HG LEU A 850 25.001 -10.767 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 850 23.343 -10.123 -0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 850 22.579 -10.474 1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 850 22.797 -8.788 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 850 25.628 -9.204 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 850 25.179 -7.832 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 850 26.538 -8.888 0.906 1.00 0.00 H new ATOM 1422 N GLU A 851 23.091 -7.633 5.156 1.00 0.00 N ATOM 1423 CA GLU A 851 22.141 -7.611 6.260 1.00 0.00 C ATOM 1424 C GLU A 851 21.044 -6.600 5.960 1.00 0.00 C ATOM 1425 O GLU A 851 19.862 -6.854 6.203 1.00 0.00 O ATOM 1426 CB GLU A 851 22.845 -7.256 7.572 1.00 0.00 C ATOM 1427 CG GLU A 851 22.794 -8.365 8.611 1.00 0.00 C ATOM 1428 CD GLU A 851 22.037 -7.967 9.865 1.00 0.00 C ATOM 1429 OE1 GLU A 851 21.417 -6.882 9.880 1.00 0.00 O ATOM 1430 OE2 GLU A 851 22.049 -8.743 10.843 1.00 0.00 O ATOM 0 H GLU A 851 24.032 -7.323 5.400 1.00 0.00 H new ATOM 0 HA GLU A 851 21.701 -8.602 6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 851 23.887 -7.015 7.362 1.00 0.00 H new ATOM 0 HB3 GLU A 851 22.388 -6.358 7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 851 22.323 -9.245 8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 851 23.811 -8.649 8.882 1.00 0.00 H new ATOM 1437 N ASN A 852 21.452 -5.464 5.403 1.00 0.00 N ATOM 1438 CA ASN A 852 20.518 -4.428 4.981 1.00 0.00 C ATOM 1439 C ASN A 852 19.547 -4.992 3.961 1.00 0.00 C ATOM 1440 O ASN A 852 18.329 -4.945 4.156 1.00 0.00 O ATOM 1441 CB ASN A 852 21.257 -3.241 4.348 1.00 0.00 C ATOM 1442 CG ASN A 852 21.976 -2.364 5.351 1.00 0.00 C ATOM 1443 OD1 ASN A 852 21.885 -2.567 6.561 1.00 0.00 O ATOM 1444 ND2 ASN A 852 22.694 -1.371 4.851 1.00 0.00 N ATOM 0 H ASN A 852 22.432 -5.237 5.233 1.00 0.00 H new ATOM 0 HA ASN A 852 19.982 -4.084 5.865 1.00 0.00 H new ATOM 0 HB2 ASN A 852 21.980 -3.619 3.625 1.00 0.00 H new ATOM 0 HB3 ASN A 852 20.542 -2.633 3.795 1.00 0.00 H new ATOM 0 HD21 ASN A 852 23.197 -0.741 5.475 1.00 0.00 H new ATOM 0 HD22 ASN A 852 22.744 -1.236 3.841 1.00 0.00 H new ATOM 1451 N SER A 853 20.105 -5.544 2.886 1.00 0.00 N ATOM 1452 CA SER A 853 19.325 -6.055 1.765 1.00 0.00 C ATOM 1453 C SER A 853 18.329 -7.121 2.199 1.00 0.00 C ATOM 1454 O SER A 853 17.164 -7.073 1.806 1.00 0.00 O ATOM 1455 CB SER A 853 20.267 -6.630 0.710 1.00 0.00 C ATOM 1456 OG SER A 853 21.600 -6.218 0.946 1.00 0.00 O ATOM 0 H SER A 853 21.113 -5.649 2.769 1.00 0.00 H new ATOM 0 HA SER A 853 18.756 -5.224 1.350 1.00 0.00 H new ATOM 0 HB2 SER A 853 20.211 -7.719 0.721 1.00 0.00 H new ATOM 0 HB3 SER A 853 19.952 -6.305 -0.281 1.00 0.00 H new ATOM 0 HG SER A 853 22.187 -6.599 0.260 1.00 0.00 H new ATOM 1462 N ARG A 854 18.777 -8.062 3.022 1.00 0.00 N ATOM 1463 CA ARG A 854 17.923 -9.161 3.462 1.00 0.00 C ATOM 1464 C ARG A 854 16.649 -8.628 4.104 1.00 0.00 C ATOM 1465 O ARG A 854 15.559 -9.165 3.898 1.00 0.00 O ATOM 1466 CB ARG A 854 18.678 -10.051 4.446 1.00 0.00 C ATOM 1467 CG ARG A 854 19.489 -11.139 3.769 1.00 0.00 C ATOM 1468 CD ARG A 854 19.121 -12.515 4.293 1.00 0.00 C ATOM 1469 NE ARG A 854 17.745 -12.877 3.953 1.00 0.00 N ATOM 1470 CZ ARG A 854 17.409 -13.659 2.924 1.00 0.00 C ATOM 1471 NH1 ARG A 854 18.349 -14.191 2.149 1.00 0.00 N ATOM 1472 NH2 ARG A 854 16.131 -13.911 2.671 1.00 0.00 N ATOM 0 H ARG A 854 19.725 -8.087 3.398 1.00 0.00 H new ATOM 0 HA ARG A 854 17.646 -9.754 2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 854 19.344 -9.432 5.048 1.00 0.00 H new ATOM 0 HB3 ARG A 854 17.965 -10.511 5.130 1.00 0.00 H new ATOM 0 HG2 ARG A 854 19.322 -11.102 2.692 1.00 0.00 H new ATOM 0 HG3 ARG A 854 20.551 -10.958 3.933 1.00 0.00 H new ATOM 0 HD2 ARG A 854 19.805 -13.256 3.879 1.00 0.00 H new ATOM 0 HD3 ARG A 854 19.245 -12.537 5.376 1.00 0.00 H new ATOM 0 HE ARG A 854 16.995 -12.509 4.539 1.00 0.00 H new ATOM 0 HH11 ARG A 854 19.333 -14.003 2.339 1.00 0.00 H new ATOM 0 HH12 ARG A 854 18.086 -14.788 1.365 1.00 0.00 H new ATOM 0 HH21 ARG A 854 15.405 -13.507 3.263 1.00 0.00 H new ATOM 0 HH22 ARG A 854 15.875 -14.508 1.885 1.00 0.00 H new ATOM 1486 N LYS A 855 16.787 -7.554 4.866 1.00 0.00 N ATOM 1487 CA LYS A 855 15.645 -6.917 5.497 1.00 0.00 C ATOM 1488 C LYS A 855 14.859 -6.078 4.492 1.00 0.00 C ATOM 1489 O LYS A 855 13.633 -6.041 4.537 1.00 0.00 O ATOM 1490 CB LYS A 855 16.103 -6.036 6.650 1.00 0.00 C ATOM 1491 CG LYS A 855 16.350 -6.800 7.938 1.00 0.00 C ATOM 1492 CD LYS A 855 17.716 -6.483 8.519 1.00 0.00 C ATOM 1493 CE LYS A 855 18.207 -7.604 9.417 1.00 0.00 C ATOM 1494 NZ LYS A 855 18.879 -7.080 10.632 1.00 0.00 N ATOM 0 H LYS A 855 17.682 -7.105 5.062 1.00 0.00 H new ATOM 0 HA LYS A 855 14.993 -7.702 5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 855 17.019 -5.521 6.361 1.00 0.00 H new ATOM 0 HB3 LYS A 855 15.350 -5.269 6.831 1.00 0.00 H new ATOM 0 HG2 LYS A 855 15.577 -6.550 8.665 1.00 0.00 H new ATOM 0 HG3 LYS A 855 16.274 -7.871 7.748 1.00 0.00 H new ATOM 0 HD2 LYS A 855 18.429 -6.323 7.710 1.00 0.00 H new ATOM 0 HD3 LYS A 855 17.665 -5.554 9.088 1.00 0.00 H new ATOM 0 HE2 LYS A 855 17.365 -8.232 9.709 1.00 0.00 H new ATOM 0 HE3 LYS A 855 18.900 -8.237 8.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 855 19.049 -7.860 11.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 855 19.787 -6.647 10.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 855 18.273 -6.365 11.083 1.00 0.00 H new ATOM 1508 N LEU A 856 15.574 -5.416 3.583 1.00 0.00 N ATOM 1509 CA LEU A 856 14.969 -4.548 2.598 1.00 0.00 C ATOM 1510 C LEU A 856 13.968 -5.306 1.741 1.00 0.00 C ATOM 1511 O LEU A 856 12.830 -4.877 1.564 1.00 0.00 O ATOM 1512 CB LEU A 856 16.066 -3.978 1.713 1.00 0.00 C ATOM 1513 CG LEU A 856 17.023 -2.994 2.394 1.00 0.00 C ATOM 1514 CD1 LEU A 856 18.251 -2.752 1.530 1.00 0.00 C ATOM 1515 CD2 LEU A 856 16.321 -1.676 2.681 1.00 0.00 C ATOM 0 H LEU A 856 16.590 -5.473 3.517 1.00 0.00 H new ATOM 0 HA LEU A 856 14.437 -3.747 3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 856 16.650 -4.806 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 856 15.600 -3.476 0.865 1.00 0.00 H new ATOM 0 HG LEU A 856 17.343 -3.434 3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 856 18.917 -2.050 2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 856 18.773 -3.695 1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 856 17.944 -2.337 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 856 17.017 -0.991 3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 856 15.972 -1.238 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 856 15.470 -1.853 3.339 1.00 0.00 H new ATOM 1527 N LEU A 857 14.403 -6.441 1.226 1.00 0.00 N ATOM 1528 CA LEU A 857 13.584 -7.242 0.334 1.00 0.00 C ATOM 1529 C LEU A 857 12.417 -7.876 1.085 1.00 0.00 C ATOM 1530 O LEU A 857 11.347 -8.090 0.520 1.00 0.00 O ATOM 1531 CB LEU A 857 14.450 -8.307 -0.329 1.00 0.00 C ATOM 1532 CG LEU A 857 15.810 -7.798 -0.814 1.00 0.00 C ATOM 1533 CD1 LEU A 857 16.844 -8.911 -0.769 1.00 0.00 C ATOM 1534 CD2 LEU A 857 15.695 -7.242 -2.221 1.00 0.00 C ATOM 0 H LEU A 857 15.327 -6.832 1.412 1.00 0.00 H new ATOM 0 HA LEU A 857 13.163 -6.597 -0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 857 14.610 -9.121 0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 857 13.907 -8.724 -1.177 1.00 0.00 H new ATOM 0 HG LEU A 857 16.135 -6.998 -0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 857 17.804 -8.530 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 857 16.946 -9.271 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 857 16.524 -9.731 -1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 857 16.670 -6.884 -2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 857 15.349 -8.026 -2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 857 14.984 -6.416 -2.229 1.00 0.00 H new ATOM 1546 N SER A 858 12.626 -8.156 2.363 1.00 0.00 N ATOM 1547 CA SER A 858 11.568 -8.697 3.205 1.00 0.00 C ATOM 1548 C SER A 858 10.524 -7.625 3.511 1.00 0.00 C ATOM 1549 O SER A 858 9.322 -7.884 3.467 1.00 0.00 O ATOM 1550 CB SER A 858 12.162 -9.250 4.496 1.00 0.00 C ATOM 1551 OG SER A 858 13.123 -10.256 4.216 1.00 0.00 O ATOM 0 H SER A 858 13.517 -8.018 2.840 1.00 0.00 H new ATOM 0 HA SER A 858 11.074 -9.508 2.670 1.00 0.00 H new ATOM 0 HB2 SER A 858 12.627 -8.443 5.063 1.00 0.00 H new ATOM 0 HB3 SER A 858 11.369 -9.662 5.120 1.00 0.00 H new ATOM 0 HG SER A 858 14.023 -9.874 4.275 1.00 0.00 H new ATOM 1557 N ALA A 859 10.993 -6.419 3.809 1.00 0.00 N ATOM 1558 CA ALA A 859 10.106 -5.288 4.044 1.00 0.00 C ATOM 1559 C ALA A 859 9.322 -4.956 2.778 1.00 0.00 C ATOM 1560 O ALA A 859 8.132 -4.643 2.832 1.00 0.00 O ATOM 1561 CB ALA A 859 10.902 -4.079 4.517 1.00 0.00 C ATOM 0 H ALA A 859 11.986 -6.200 3.894 1.00 0.00 H new ATOM 0 HA ALA A 859 9.396 -5.558 4.826 1.00 0.00 H new ATOM 0 HB1 ALA A 859 10.225 -3.242 4.688 1.00 0.00 H new ATOM 0 HB2 ALA A 859 11.418 -4.324 5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 859 11.633 -3.805 3.757 1.00 0.00 H new ATOM 1567 N ALA A 860 9.996 -5.046 1.636 1.00 0.00 N ATOM 1568 CA ALA A 860 9.358 -4.818 0.346 1.00 0.00 C ATOM 1569 C ALA A 860 8.279 -5.865 0.079 1.00 0.00 C ATOM 1570 O ALA A 860 7.276 -5.585 -0.581 1.00 0.00 O ATOM 1571 CB ALA A 860 10.396 -4.822 -0.766 1.00 0.00 C ATOM 0 H ALA A 860 10.988 -5.276 1.579 1.00 0.00 H new ATOM 0 HA ALA A 860 8.879 -3.839 0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 860 9.904 -4.650 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 860 11.125 -4.032 -0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 860 10.904 -5.786 -0.786 1.00 0.00 H new ATOM 1577 N LYS A 861 8.482 -7.068 0.607 1.00 0.00 N ATOM 1578 CA LYS A 861 7.491 -8.131 0.488 1.00 0.00 C ATOM 1579 C LYS A 861 6.211 -7.744 1.222 1.00 0.00 C ATOM 1580 O LYS A 861 5.105 -8.042 0.762 1.00 0.00 O ATOM 1581 CB LYS A 861 8.039 -9.446 1.045 1.00 0.00 C ATOM 1582 CG LYS A 861 8.119 -10.557 0.012 1.00 0.00 C ATOM 1583 CD LYS A 861 9.559 -10.859 -0.366 1.00 0.00 C ATOM 1584 CE LYS A 861 9.641 -11.632 -1.672 1.00 0.00 C ATOM 1585 NZ LYS A 861 10.051 -13.044 -1.458 1.00 0.00 N ATOM 0 H LYS A 861 9.323 -7.331 1.121 1.00 0.00 H new ATOM 0 HA LYS A 861 7.264 -8.271 -0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 861 9.033 -9.271 1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 861 7.406 -9.773 1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 861 7.648 -11.457 0.407 1.00 0.00 H new ATOM 0 HG3 LYS A 861 7.560 -10.269 -0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 861 10.115 -9.926 -0.458 1.00 0.00 H new ATOM 0 HD3 LYS A 861 10.032 -11.435 0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 861 8.671 -11.607 -2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 861 10.353 -11.145 -2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 10.095 -13.535 -2.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 10.988 -13.069 -1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 9.358 -13.517 -0.844 1.00 0.00 H new ATOM 1599 N ILE A 862 6.366 -7.076 2.361 1.00 0.00 N ATOM 1600 CA ILE A 862 5.223 -6.570 3.110 1.00 0.00 C ATOM 1601 C ILE A 862 4.550 -5.450 2.330 1.00 0.00 C ATOM 1602 O ILE A 862 3.323 -5.388 2.249 1.00 0.00 O ATOM 1603 CB ILE A 862 5.624 -6.037 4.504 1.00 0.00 C ATOM 1604 CG1 ILE A 862 6.644 -6.963 5.167 1.00 0.00 C ATOM 1605 CG2 ILE A 862 4.394 -5.887 5.389 1.00 0.00 C ATOM 1606 CD1 ILE A 862 7.423 -6.301 6.284 1.00 0.00 C ATOM 0 H ILE A 862 7.272 -6.873 2.784 1.00 0.00 H new ATOM 0 HA ILE A 862 4.538 -7.406 3.252 1.00 0.00 H new ATOM 0 HB ILE A 862 6.084 -5.057 4.374 1.00 0.00 H new ATOM 0 HG12 ILE A 862 6.126 -7.836 5.564 1.00 0.00 H new ATOM 0 HG13 ILE A 862 7.342 -7.322 4.411 1.00 0.00 H new ATOM 0 HG21 ILE A 862 4.693 -5.511 6.367 1.00 0.00 H new ATOM 0 HG22 ILE A 862 3.698 -5.186 4.928 1.00 0.00 H new ATOM 0 HG23 ILE A 862 3.909 -6.856 5.506 1.00 0.00 H new ATOM 0 HD11 ILE A 862 8.128 -7.015 6.709 1.00 0.00 H new ATOM 0 HD12 ILE A 862 7.969 -5.444 5.889 1.00 0.00 H new ATOM 0 HD13 ILE A 862 6.734 -5.966 7.059 1.00 0.00 H new ATOM 1618 N LEU A 863 5.371 -4.579 1.747 1.00 0.00 N ATOM 1619 CA LEU A 863 4.886 -3.474 0.928 1.00 0.00 C ATOM 1620 C LEU A 863 3.934 -3.982 -0.154 1.00 0.00 C ATOM 1621 O LEU A 863 2.795 -3.523 -0.258 1.00 0.00 O ATOM 1622 CB LEU A 863 6.066 -2.749 0.267 1.00 0.00 C ATOM 1623 CG LEU A 863 6.435 -1.385 0.858 1.00 0.00 C ATOM 1624 CD1 LEU A 863 5.185 -0.581 1.187 1.00 0.00 C ATOM 1625 CD2 LEU A 863 7.304 -1.556 2.097 1.00 0.00 C ATOM 0 H LEU A 863 6.387 -4.620 1.829 1.00 0.00 H new ATOM 0 HA LEU A 863 4.349 -2.781 1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 863 6.942 -3.396 0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 863 5.837 -2.614 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 863 7.006 -0.834 0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 863 5.472 0.384 1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 863 4.604 -0.424 0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 863 4.582 -1.126 1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 863 7.556 -0.576 2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 863 6.760 -2.130 2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.219 -2.084 1.829 1.00 0.00 H new ATOM 1637 N ALA A 864 4.407 -4.941 -0.942 1.00 0.00 N ATOM 1638 CA ALA A 864 3.621 -5.494 -2.037 1.00 0.00 C ATOM 1639 C ALA A 864 2.375 -6.212 -1.526 1.00 0.00 C ATOM 1640 O ALA A 864 1.280 -6.028 -2.063 1.00 0.00 O ATOM 1641 CB ALA A 864 4.472 -6.442 -2.870 1.00 0.00 C ATOM 0 H ALA A 864 5.335 -5.353 -0.842 1.00 0.00 H new ATOM 0 HA ALA A 864 3.293 -4.665 -2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 864 3.873 -6.848 -3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 864 5.324 -5.900 -3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 864 4.830 -7.257 -2.241 1.00 0.00 H new ATOM 1647 N ASP A 865 2.543 -7.013 -0.480 1.00 0.00 N ATOM 1648 CA ASP A 865 1.444 -7.807 0.071 1.00 0.00 C ATOM 1649 C ASP A 865 0.325 -6.914 0.590 1.00 0.00 C ATOM 1650 O ASP A 865 -0.856 -7.172 0.346 1.00 0.00 O ATOM 1651 CB ASP A 865 1.949 -8.707 1.199 1.00 0.00 C ATOM 1652 CG ASP A 865 1.193 -10.018 1.275 1.00 0.00 C ATOM 1653 OD1 ASP A 865 1.016 -10.669 0.225 1.00 0.00 O ATOM 1654 OD2 ASP A 865 0.780 -10.410 2.386 1.00 0.00 O ATOM 0 H ASP A 865 3.431 -7.132 0.007 1.00 0.00 H new ATOM 0 HA ASP A 865 1.047 -8.426 -0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 865 3.009 -8.910 1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 865 1.855 -8.181 2.149 1.00 0.00 H new ATOM 1659 N ALA A 866 0.705 -5.859 1.298 1.00 0.00 N ATOM 1660 CA ALA A 866 -0.261 -4.929 1.861 1.00 0.00 C ATOM 1661 C ALA A 866 -0.937 -4.111 0.768 1.00 0.00 C ATOM 1662 O ALA A 866 -2.134 -3.837 0.841 1.00 0.00 O ATOM 1663 CB ALA A 866 0.416 -4.010 2.869 1.00 0.00 C ATOM 0 H ALA A 866 1.678 -5.627 1.496 1.00 0.00 H new ATOM 0 HA ALA A 866 -1.030 -5.508 2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -0.319 -3.319 3.282 1.00 0.00 H new ATOM 0 HB2 ALA A 866 0.846 -4.606 3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 866 1.206 -3.446 2.374 1.00 0.00 H new ATOM 1669 N THR A 867 -0.172 -3.735 -0.251 1.00 0.00 N ATOM 1670 CA THR A 867 -0.698 -2.920 -1.338 1.00 0.00 C ATOM 1671 C THR A 867 -1.754 -3.679 -2.142 1.00 0.00 C ATOM 1672 O THR A 867 -2.746 -3.094 -2.580 1.00 0.00 O ATOM 1673 CB THR A 867 0.430 -2.433 -2.268 1.00 0.00 C ATOM 1674 OG1 THR A 867 1.368 -1.656 -1.514 1.00 0.00 O ATOM 1675 CG2 THR A 867 -0.118 -1.593 -3.413 1.00 0.00 C ATOM 0 H THR A 867 0.813 -3.982 -0.346 1.00 0.00 H new ATOM 0 HA THR A 867 -1.172 -2.048 -0.886 1.00 0.00 H new ATOM 0 HB THR A 867 0.922 -3.308 -2.693 1.00 0.00 H new ATOM 0 HG1 THR A 867 1.833 -2.235 -0.874 1.00 0.00 H new ATOM 0 HG21 THR A 867 0.704 -1.266 -4.050 1.00 0.00 H new ATOM 0 HG22 THR A 867 -0.817 -2.189 -4.000 1.00 0.00 H new ATOM 0 HG23 THR A 867 -0.634 -0.722 -3.010 1.00 0.00 H new ATOM 1683 N ALA A 868 -1.553 -4.982 -2.324 1.00 0.00 N ATOM 1684 CA ALA A 868 -2.551 -5.803 -2.998 1.00 0.00 C ATOM 1685 C ALA A 868 -3.833 -5.831 -2.186 1.00 0.00 C ATOM 1686 O ALA A 868 -4.925 -5.687 -2.728 1.00 0.00 O ATOM 1687 CB ALA A 868 -2.048 -7.217 -3.220 1.00 0.00 C ATOM 0 H ALA A 868 -0.720 -5.485 -2.018 1.00 0.00 H new ATOM 0 HA ALA A 868 -2.748 -5.359 -3.974 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -2.817 -7.802 -3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -1.149 -7.191 -3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -1.816 -7.676 -2.259 1.00 0.00 H new ATOM 1693 N LYS A 869 -3.683 -6.003 -0.877 1.00 0.00 N ATOM 1694 CA LYS A 869 -4.814 -5.973 0.037 1.00 0.00 C ATOM 1695 C LYS A 869 -5.523 -4.629 -0.057 1.00 0.00 C ATOM 1696 O LYS A 869 -6.748 -4.564 -0.074 1.00 0.00 O ATOM 1697 CB LYS A 869 -4.345 -6.224 1.472 1.00 0.00 C ATOM 1698 CG LYS A 869 -5.481 -6.424 2.462 1.00 0.00 C ATOM 1699 CD LYS A 869 -4.964 -6.844 3.832 1.00 0.00 C ATOM 1700 CE LYS A 869 -4.914 -8.359 3.975 1.00 0.00 C ATOM 1701 NZ LYS A 869 -6.172 -9.007 3.517 1.00 0.00 N ATOM 0 H LYS A 869 -2.783 -6.165 -0.425 1.00 0.00 H new ATOM 0 HA LYS A 869 -5.513 -6.762 -0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -3.704 -7.105 1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -3.735 -5.381 1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -6.050 -5.499 2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -6.166 -7.183 2.083 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -3.967 -6.431 3.987 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -5.607 -6.426 4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -4.075 -8.749 3.399 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -4.732 -8.618 5.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -6.284 -9.924 3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -6.981 -8.396 3.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -6.132 -9.155 2.488 1.00 0.00 H new ATOM 1715 N MET A 870 -4.737 -3.561 -0.133 1.00 0.00 N ATOM 1716 CA MET A 870 -5.272 -2.211 -0.256 1.00 0.00 C ATOM 1717 C MET A 870 -6.077 -2.060 -1.541 1.00 0.00 C ATOM 1718 O MET A 870 -7.222 -1.606 -1.518 1.00 0.00 O ATOM 1719 CB MET A 870 -4.135 -1.186 -0.231 1.00 0.00 C ATOM 1720 CG MET A 870 -4.440 0.056 0.592 1.00 0.00 C ATOM 1721 SD MET A 870 -6.200 0.271 0.920 1.00 0.00 S ATOM 1722 CE MET A 870 -6.578 1.618 -0.191 1.00 0.00 C ATOM 0 H MET A 870 -3.718 -3.606 -0.111 1.00 0.00 H new ATOM 0 HA MET A 870 -5.935 -2.031 0.590 1.00 0.00 H new ATOM 0 HB2 MET A 870 -3.239 -1.662 0.167 1.00 0.00 H new ATOM 0 HB3 MET A 870 -3.908 -0.885 -1.254 1.00 0.00 H new ATOM 0 HG2 MET A 870 -3.904 -0.002 1.539 1.00 0.00 H new ATOM 0 HG3 MET A 870 -4.064 0.934 0.067 1.00 0.00 H new ATOM 0 HE1 MET A 870 -7.659 1.721 -0.283 1.00 0.00 H new ATOM 0 HE2 MET A 870 -6.157 2.543 0.203 1.00 0.00 H new ATOM 0 HE3 MET A 870 -6.148 1.412 -1.171 1.00 0.00 H new ATOM 1732 N VAL A 871 -5.481 -2.455 -2.658 1.00 0.00 N ATOM 1733 CA VAL A 871 -6.132 -2.327 -3.951 1.00 0.00 C ATOM 1734 C VAL A 871 -7.382 -3.207 -4.015 1.00 0.00 C ATOM 1735 O VAL A 871 -8.403 -2.811 -4.577 1.00 0.00 O ATOM 1736 CB VAL A 871 -5.153 -2.652 -5.115 1.00 0.00 C ATOM 1737 CG1 VAL A 871 -5.409 -4.021 -5.735 1.00 0.00 C ATOM 1738 CG2 VAL A 871 -5.228 -1.568 -6.177 1.00 0.00 C ATOM 0 H VAL A 871 -4.548 -2.866 -2.693 1.00 0.00 H new ATOM 0 HA VAL A 871 -6.442 -1.289 -4.069 1.00 0.00 H new ATOM 0 HB VAL A 871 -4.149 -2.681 -4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -4.697 -4.194 -6.542 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -5.290 -4.793 -4.974 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -6.423 -4.056 -6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -4.539 -1.805 -6.988 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -6.244 -1.512 -6.569 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -4.955 -0.609 -5.737 1.00 0.00 H new ATOM 1748 N GLU A 872 -7.308 -4.382 -3.400 1.00 0.00 N ATOM 1749 CA GLU A 872 -8.426 -5.309 -3.391 1.00 0.00 C ATOM 1750 C GLU A 872 -9.545 -4.794 -2.487 1.00 0.00 C ATOM 1751 O GLU A 872 -10.727 -4.899 -2.824 1.00 0.00 O ATOM 1752 CB GLU A 872 -7.959 -6.696 -2.935 1.00 0.00 C ATOM 1753 CG GLU A 872 -8.562 -7.838 -3.741 1.00 0.00 C ATOM 1754 CD GLU A 872 -8.579 -7.562 -5.232 1.00 0.00 C ATOM 1755 OE1 GLU A 872 -7.584 -7.879 -5.914 1.00 0.00 O ATOM 1756 OE2 GLU A 872 -9.596 -7.040 -5.735 1.00 0.00 O ATOM 0 H GLU A 872 -6.482 -4.713 -2.901 1.00 0.00 H new ATOM 0 HA GLU A 872 -8.819 -5.390 -4.405 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -6.873 -6.746 -3.007 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -8.216 -6.829 -1.884 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -7.995 -8.749 -3.552 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -9.581 -8.020 -3.398 1.00 0.00 H new ATOM 1763 N ALA A 873 -9.166 -4.221 -1.350 1.00 0.00 N ATOM 1764 CA ALA A 873 -10.131 -3.672 -0.403 1.00 0.00 C ATOM 1765 C ALA A 873 -10.841 -2.458 -0.986 1.00 0.00 C ATOM 1766 O ALA A 873 -12.070 -2.363 -0.939 1.00 0.00 O ATOM 1767 CB ALA A 873 -9.439 -3.292 0.898 1.00 0.00 C ATOM 0 H ALA A 873 -8.193 -4.124 -1.060 1.00 0.00 H new ATOM 0 HA ALA A 873 -10.876 -4.441 -0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -10.172 -2.884 1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -8.976 -4.176 1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -8.673 -2.543 0.697 1.00 0.00 H new ATOM 1773 N ALA A 874 -10.061 -1.535 -1.539 1.00 0.00 N ATOM 1774 CA ALA A 874 -10.606 -0.306 -2.104 1.00 0.00 C ATOM 1775 C ALA A 874 -11.561 -0.603 -3.253 1.00 0.00 C ATOM 1776 O ALA A 874 -12.653 -0.040 -3.322 1.00 0.00 O ATOM 1777 CB ALA A 874 -9.484 0.609 -2.571 1.00 0.00 C ATOM 0 H ALA A 874 -9.047 -1.615 -1.608 1.00 0.00 H new ATOM 0 HA ALA A 874 -11.169 0.201 -1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -9.909 1.521 -2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -8.845 0.862 -1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -8.893 0.101 -3.333 1.00 0.00 H new ATOM 1783 N LYS A 875 -11.151 -1.499 -4.143 1.00 0.00 N ATOM 1784 CA LYS A 875 -11.973 -1.863 -5.291 1.00 0.00 C ATOM 1785 C LYS A 875 -13.200 -2.654 -4.847 1.00 0.00 C ATOM 1786 O LYS A 875 -14.292 -2.476 -5.383 1.00 0.00 O ATOM 1787 CB LYS A 875 -11.159 -2.682 -6.296 1.00 0.00 C ATOM 1788 CG LYS A 875 -10.339 -1.840 -7.261 1.00 0.00 C ATOM 1789 CD LYS A 875 -9.037 -2.533 -7.638 1.00 0.00 C ATOM 1790 CE LYS A 875 -9.145 -3.247 -8.976 1.00 0.00 C ATOM 1791 NZ LYS A 875 -9.371 -4.708 -8.815 1.00 0.00 N ATOM 0 H LYS A 875 -10.256 -1.986 -4.092 1.00 0.00 H new ATOM 0 HA LYS A 875 -12.306 -0.944 -5.773 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -10.489 -3.346 -5.750 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -11.838 -3.314 -6.868 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -10.922 -1.644 -8.161 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -10.120 -0.874 -6.807 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -8.233 -1.798 -7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -8.770 -3.251 -6.863 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -9.964 -2.815 -9.551 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -8.232 -3.083 -9.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -9.438 -5.154 -9.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -8.577 -5.126 -8.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -10.256 -4.867 -8.292 1.00 0.00 H new ATOM 1805 N GLY A 876 -13.016 -3.518 -3.853 1.00 0.00 N ATOM 1806 CA GLY A 876 -14.112 -4.329 -3.352 1.00 0.00 C ATOM 1807 C GLY A 876 -15.186 -3.498 -2.676 1.00 0.00 C ATOM 1808 O GLY A 876 -16.375 -3.809 -2.769 1.00 0.00 O ATOM 0 H GLY A 876 -12.123 -3.671 -3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -14.554 -4.887 -4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -13.724 -5.061 -2.644 1.00 0.00 H new ATOM 1812 N ALA A 877 -14.764 -2.430 -2.007 1.00 0.00 N ATOM 1813 CA ALA A 877 -15.688 -1.533 -1.322 1.00 0.00 C ATOM 1814 C ALA A 877 -16.277 -0.520 -2.295 1.00 0.00 C ATOM 1815 O ALA A 877 -17.173 0.250 -1.945 1.00 0.00 O ATOM 1816 CB ALA A 877 -14.984 -0.821 -0.177 1.00 0.00 C ATOM 0 H ALA A 877 -13.783 -2.164 -1.925 1.00 0.00 H new ATOM 0 HA ALA A 877 -16.504 -2.129 -0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 877 -15.687 -0.155 0.324 1.00 0.00 H new ATOM 0 HB2 ALA A 877 -14.611 -1.557 0.535 1.00 0.00 H new ATOM 0 HB3 ALA A 877 -14.149 -0.239 -0.568 1.00 0.00 H new ATOM 1822 N ALA A 878 -15.777 -0.535 -3.520 1.00 0.00 N ATOM 1823 CA ALA A 878 -16.233 0.384 -4.547 1.00 0.00 C ATOM 1824 C ALA A 878 -17.223 -0.295 -5.485 1.00 0.00 C ATOM 1825 O ALA A 878 -17.049 -0.289 -6.705 1.00 0.00 O ATOM 1826 CB ALA A 878 -15.050 0.931 -5.329 1.00 0.00 C ATOM 0 H ALA A 878 -15.049 -1.180 -3.828 1.00 0.00 H new ATOM 0 HA ALA A 878 -16.744 1.214 -4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 878 -15.407 1.619 -6.096 1.00 0.00 H new ATOM 0 HB2 ALA A 878 -14.379 1.459 -4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 878 -14.514 0.108 -5.801 1.00 0.00 H new ATOM 1832 N ALA A 879 -18.251 -0.898 -4.910 1.00 0.00 N ATOM 1833 CA ALA A 879 -19.310 -1.501 -5.700 1.00 0.00 C ATOM 1834 C ALA A 879 -20.377 -0.460 -5.997 1.00 0.00 C ATOM 1835 O ALA A 879 -20.889 -0.374 -7.114 1.00 0.00 O ATOM 1836 CB ALA A 879 -19.905 -2.700 -4.978 1.00 0.00 C ATOM 0 H ALA A 879 -18.374 -0.982 -3.901 1.00 0.00 H new ATOM 0 HA ALA A 879 -18.893 -1.858 -6.642 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -20.696 -3.136 -5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.127 -3.444 -4.806 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -20.319 -2.380 -4.022 1.00 0.00 H new ATOM 1842 N HIS A 880 -20.704 0.328 -4.981 1.00 0.00 N ATOM 1843 CA HIS A 880 -21.635 1.439 -5.122 1.00 0.00 C ATOM 1844 C HIS A 880 -21.392 2.448 -4.007 1.00 0.00 C ATOM 1845 O HIS A 880 -21.084 2.064 -2.879 1.00 0.00 O ATOM 1846 CB HIS A 880 -23.098 0.960 -5.103 1.00 0.00 C ATOM 1847 CG HIS A 880 -23.405 -0.095 -4.081 1.00 0.00 C ATOM 1848 ND1 HIS A 880 -23.587 -1.419 -4.405 1.00 0.00 N ATOM 1849 CD2 HIS A 880 -23.574 -0.014 -2.741 1.00 0.00 C ATOM 1850 CE1 HIS A 880 -23.857 -2.106 -3.312 1.00 0.00 C ATOM 1851 NE2 HIS A 880 -23.857 -1.278 -2.286 1.00 0.00 N ATOM 0 H HIS A 880 -20.332 0.215 -4.038 1.00 0.00 H new ATOM 0 HA HIS A 880 -21.461 1.912 -6.088 1.00 0.00 H new ATOM 0 HB2 HIS A 880 -23.744 1.819 -4.922 1.00 0.00 H new ATOM 0 HB3 HIS A 880 -23.351 0.573 -6.090 1.00 0.00 H new ATOM 0 HD2 HIS A 880 -23.500 0.880 -2.140 1.00 0.00 H new ATOM 0 HE1 HIS A 880 -24.046 -3.168 -3.265 1.00 0.00 H new ATOM 0 HE2 HIS A 880 -24.037 -1.534 -1.315 1.00 0.00 H new ATOM 1860 N PRO A 881 -21.509 3.747 -4.309 1.00 0.00 N ATOM 1861 CA PRO A 881 -21.266 4.820 -3.341 1.00 0.00 C ATOM 1862 C PRO A 881 -22.385 4.929 -2.306 1.00 0.00 C ATOM 1863 O PRO A 881 -23.131 5.910 -2.276 1.00 0.00 O ATOM 1864 CB PRO A 881 -21.205 6.091 -4.203 1.00 0.00 C ATOM 1865 CG PRO A 881 -21.208 5.621 -5.622 1.00 0.00 C ATOM 1866 CD PRO A 881 -21.885 4.285 -5.619 1.00 0.00 C ATOM 0 HA PRO A 881 -20.357 4.644 -2.765 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -22.058 6.740 -4.004 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -20.307 6.669 -3.984 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -21.738 6.325 -6.264 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -20.192 5.541 -6.008 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -22.966 4.377 -5.726 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -21.537 3.651 -6.434 1.00 0.00 H new ATOM 1874 N ASP A 882 -22.497 3.916 -1.459 1.00 0.00 N ATOM 1875 CA ASP A 882 -23.523 3.882 -0.423 1.00 0.00 C ATOM 1876 C ASP A 882 -23.003 4.513 0.860 1.00 0.00 C ATOM 1877 O ASP A 882 -23.082 3.928 1.941 1.00 0.00 O ATOM 1878 CB ASP A 882 -23.966 2.443 -0.158 1.00 0.00 C ATOM 1879 CG ASP A 882 -25.465 2.321 0.030 1.00 0.00 C ATOM 1880 OD1 ASP A 882 -26.152 3.363 0.095 1.00 0.00 O ATOM 1881 OD2 ASP A 882 -25.967 1.180 0.105 1.00 0.00 O ATOM 0 H ASP A 882 -21.885 3.100 -1.468 1.00 0.00 H new ATOM 0 HA ASP A 882 -24.383 4.455 -0.772 1.00 0.00 H new ATOM 0 HB2 ASP A 882 -23.655 1.812 -0.990 1.00 0.00 H new ATOM 0 HB3 ASP A 882 -23.460 2.069 0.732 1.00 0.00 H new ATOM 1886 N SER A 883 -22.446 5.704 0.727 1.00 0.00 N ATOM 1887 CA SER A 883 -21.897 6.431 1.858 1.00 0.00 C ATOM 1888 C SER A 883 -22.967 7.318 2.498 1.00 0.00 C ATOM 1889 O SER A 883 -24.165 7.031 2.383 1.00 0.00 O ATOM 1890 CB SER A 883 -20.708 7.267 1.383 1.00 0.00 C ATOM 1891 OG SER A 883 -20.382 6.963 0.033 1.00 0.00 O ATOM 0 H SER A 883 -22.362 6.193 -0.164 1.00 0.00 H new ATOM 0 HA SER A 883 -21.559 5.724 2.616 1.00 0.00 H new ATOM 0 HB2 SER A 883 -20.944 8.327 1.475 1.00 0.00 H new ATOM 0 HB3 SER A 883 -19.846 7.076 2.022 1.00 0.00 H new ATOM 0 HG SER A 883 -19.422 7.101 -0.111 1.00 0.00 H new ATOM 1897 N GLU A 884 -22.524 8.381 3.175 1.00 0.00 N ATOM 1898 CA GLU A 884 -23.408 9.369 3.800 1.00 0.00 C ATOM 1899 C GLU A 884 -24.028 8.837 5.090 1.00 0.00 C ATOM 1900 O GLU A 884 -23.653 9.272 6.180 1.00 0.00 O ATOM 1901 CB GLU A 884 -24.507 9.831 2.836 1.00 0.00 C ATOM 1902 CG GLU A 884 -24.013 10.783 1.762 1.00 0.00 C ATOM 1903 CD GLU A 884 -23.868 10.108 0.417 1.00 0.00 C ATOM 1904 OE1 GLU A 884 -24.897 9.705 -0.166 1.00 0.00 O ATOM 1905 OE2 GLU A 884 -22.725 9.975 -0.066 1.00 0.00 O ATOM 0 H GLU A 884 -21.533 8.582 3.306 1.00 0.00 H new ATOM 0 HA GLU A 884 -22.788 10.230 4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 884 -24.951 8.957 2.359 1.00 0.00 H new ATOM 0 HB3 GLU A 884 -25.297 10.319 3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 884 -24.707 11.618 1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 884 -23.051 11.198 2.063 1.00 0.00 H new ATOM 1912 N GLU A 885 -24.954 7.883 4.963 1.00 0.00 N ATOM 1913 CA GLU A 885 -25.713 7.374 6.107 1.00 0.00 C ATOM 1914 C GLU A 885 -26.444 8.519 6.802 1.00 0.00 C ATOM 1915 O GLU A 885 -27.470 9.002 6.318 1.00 0.00 O ATOM 1916 CB GLU A 885 -24.792 6.642 7.097 1.00 0.00 C ATOM 1917 CG GLU A 885 -25.491 5.553 7.898 1.00 0.00 C ATOM 1918 CD GLU A 885 -25.844 5.989 9.309 1.00 0.00 C ATOM 1919 OE1 GLU A 885 -25.104 6.809 9.894 1.00 0.00 O ATOM 1920 OE2 GLU A 885 -26.865 5.505 9.845 1.00 0.00 O ATOM 0 H GLU A 885 -25.197 7.446 4.074 1.00 0.00 H new ATOM 0 HA GLU A 885 -26.448 6.658 5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 885 -23.962 6.199 6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 885 -24.365 7.370 7.787 1.00 0.00 H new ATOM 0 HG2 GLU A 885 -26.401 5.254 7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 885 -24.848 4.674 7.945 1.00 0.00 H new ATOM 1927 N GLN A 886 -25.906 8.943 7.928 1.00 0.00 N ATOM 1928 CA GLN A 886 -26.429 10.084 8.658 1.00 0.00 C ATOM 1929 C GLN A 886 -25.326 10.691 9.512 1.00 0.00 C ATOM 1930 O GLN A 886 -24.887 11.816 9.266 1.00 0.00 O ATOM 1931 CB GLN A 886 -27.611 9.661 9.531 1.00 0.00 C ATOM 1932 CG GLN A 886 -28.292 10.819 10.237 1.00 0.00 C ATOM 1933 CD GLN A 886 -28.441 10.579 11.723 1.00 0.00 C ATOM 1934 OE1 GLN A 886 -27.462 10.588 12.467 1.00 0.00 O ATOM 1935 NE2 GLN A 886 -29.666 10.358 12.165 1.00 0.00 N ATOM 0 H GLN A 886 -25.094 8.507 8.364 1.00 0.00 H new ATOM 0 HA GLN A 886 -26.781 10.832 7.948 1.00 0.00 H new ATOM 0 HB2 GLN A 886 -28.343 9.144 8.911 1.00 0.00 H new ATOM 0 HB3 GLN A 886 -27.263 8.946 10.277 1.00 0.00 H new ATOM 0 HG2 GLN A 886 -27.716 11.730 10.075 1.00 0.00 H new ATOM 0 HG3 GLN A 886 -29.276 10.982 9.797 1.00 0.00 H new ATOM 0 HE21 GLN A 886 -30.451 10.359 11.514 1.00 0.00 H new ATOM 0 HE22 GLN A 886 -29.827 10.186 13.157 1.00 0.00 H new ATOM 1944 N GLN A 887 -24.873 9.921 10.496 1.00 0.00 N ATOM 1945 CA GLN A 887 -23.797 10.335 11.390 1.00 0.00 C ATOM 1946 C GLN A 887 -23.509 9.236 12.401 1.00 0.00 C ATOM 1947 O GLN A 887 -24.278 9.029 13.340 1.00 0.00 O ATOM 1948 CB GLN A 887 -24.152 11.626 12.131 1.00 0.00 C ATOM 1949 CG GLN A 887 -22.936 12.394 12.622 1.00 0.00 C ATOM 1950 CD GLN A 887 -22.611 13.591 11.750 1.00 0.00 C ATOM 1951 OE1 GLN A 887 -22.882 13.595 10.548 1.00 0.00 O ATOM 1952 NE2 GLN A 887 -22.023 14.612 12.346 1.00 0.00 N ATOM 0 H GLN A 887 -25.242 8.991 10.696 1.00 0.00 H new ATOM 0 HA GLN A 887 -22.912 10.520 10.782 1.00 0.00 H new ATOM 0 HB2 GLN A 887 -24.735 12.267 11.470 1.00 0.00 H new ATOM 0 HB3 GLN A 887 -24.788 11.384 12.983 1.00 0.00 H new ATOM 0 HG2 GLN A 887 -23.112 12.731 13.644 1.00 0.00 H new ATOM 0 HG3 GLN A 887 -22.076 11.725 12.650 1.00 0.00 H new ATOM 0 HE21 GLN A 887 -21.815 14.570 13.344 1.00 0.00 H new ATOM 0 HE22 GLN A 887 -21.776 15.443 11.809 1.00 0.00 H new ATOM 1961 N GLN A 888 -22.411 8.526 12.201 1.00 0.00 N ATOM 1962 CA GLN A 888 -22.007 7.470 13.120 1.00 0.00 C ATOM 1963 C GLN A 888 -21.490 8.085 14.414 1.00 0.00 C ATOM 1964 O GLN A 888 -21.676 7.534 15.502 1.00 0.00 O ATOM 1965 CB GLN A 888 -20.929 6.589 12.484 1.00 0.00 C ATOM 1966 CG GLN A 888 -21.345 5.988 11.149 1.00 0.00 C ATOM 1967 CD GLN A 888 -22.078 4.670 11.306 1.00 0.00 C ATOM 1968 OE1 GLN A 888 -21.505 3.675 11.756 1.00 0.00 O ATOM 1969 NE2 GLN A 888 -23.349 4.651 10.937 1.00 0.00 N ATOM 0 H GLN A 888 -21.781 8.661 11.410 1.00 0.00 H new ATOM 0 HA GLN A 888 -22.872 6.846 13.342 1.00 0.00 H new ATOM 0 HB2 GLN A 888 -20.025 7.181 12.341 1.00 0.00 H new ATOM 0 HB3 GLN A 888 -20.676 5.783 13.173 1.00 0.00 H new ATOM 0 HG2 GLN A 888 -21.985 6.695 10.620 1.00 0.00 H new ATOM 0 HG3 GLN A 888 -20.460 5.836 10.532 1.00 0.00 H new ATOM 0 HE21 GLN A 888 -23.786 5.496 10.569 1.00 0.00 H new ATOM 0 HE22 GLN A 888 -23.891 3.791 11.020 1.00 0.00 H new ATOM 1978 N ARG A 889 -20.846 9.237 14.279 1.00 0.00 N ATOM 1979 CA ARG A 889 -20.343 9.990 15.415 1.00 0.00 C ATOM 1980 C ARG A 889 -20.016 11.405 14.972 1.00 0.00 C ATOM 1981 O ARG A 889 -19.591 11.571 13.810 1.00 0.00 O ATOM 1982 CB ARG A 889 -19.094 9.326 16.001 1.00 0.00 C ATOM 1983 CG ARG A 889 -19.173 9.096 17.500 1.00 0.00 C ATOM 1984 CD ARG A 889 -18.684 10.306 18.280 1.00 0.00 C ATOM 1985 NE ARG A 889 -19.618 10.693 19.335 1.00 0.00 N ATOM 1986 CZ ARG A 889 -19.369 10.556 20.637 1.00 0.00 C ATOM 1987 NH1 ARG A 889 -18.213 10.042 21.046 1.00 0.00 N ATOM 1988 NH2 ARG A 889 -20.280 10.924 21.532 1.00 0.00 N ATOM 1989 OXT ARG A 889 -20.190 12.344 15.778 1.00 0.00 O ATOM 0 H ARG A 889 -20.659 9.674 13.377 1.00 0.00 H new ATOM 0 HA ARG A 889 -21.110 10.012 16.189 1.00 0.00 H new ATOM 0 HB2 ARG A 889 -18.934 8.370 15.503 1.00 0.00 H new ATOM 0 HB3 ARG A 889 -18.226 9.948 15.783 1.00 0.00 H new ATOM 0 HG2 ARG A 889 -20.203 8.874 17.781 1.00 0.00 H new ATOM 0 HG3 ARG A 889 -18.575 8.225 17.767 1.00 0.00 H new ATOM 0 HD2 ARG A 889 -17.712 10.084 18.720 1.00 0.00 H new ATOM 0 HD3 ARG A 889 -18.541 11.144 17.597 1.00 0.00 H new ATOM 0 HE ARG A 889 -20.515 11.092 19.058 1.00 0.00 H new ATOM 0 HH11 ARG A 889 -17.514 9.751 20.363 1.00 0.00 H new ATOM 0 HH12 ARG A 889 -18.025 9.938 22.043 1.00 0.00 H new ATOM 0 HH21 ARG A 889 -21.171 11.312 21.223 1.00 0.00 H new ATOM 0 HH22 ARG A 889 -20.088 10.818 22.528 1.00 0.00 H new TER 2003 ARG A 889