USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 807 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 887 ASN : amide:sc= -3.81! C(o=-5!,f=-12!) USER MOD Set 1.2: A 889 ASN : amide:sc= -1.19 K(o=-5,f=-6.3) USER MOD Set 2.1: A 840 MET CE :methyl -147:sc= -2.53 (180deg=-3.72!) USER MOD Set 2.2: A 881 MET CE :methyl -172:sc= -4.98! (180deg=-5.27!) USER MOD Set 3.1: A 857 ASN : amide:sc= 0.0237 X(o=-0.78,f=-0.83) USER MOD Set 3.2: A 858 GLN : amide:sc= -0.806 K(o=-0.78,f=-2.9!) USER MOD Set 4.1: A 845 THR OG1 : rot 180:sc= -0.0702 USER MOD Set 4.2: A 892 ASN : amide:sc= -0.256 X(o=-0.33,f=-0.076) USER MOD Single : A 802 SER OG : rot 180:sc= 0 USER MOD Single : A 803 SER OG : rot 180:sc= 0 USER MOD Single : A 805 SER OG : rot 180:sc= 0 USER MOD Single : A 806 SER OG : rot 180:sc= 0 USER MOD Single : A 809 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 810 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 811 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 813 THR OG1 : rot 180:sc= 0 USER MOD Single : A 817 GLN : amide:sc= -0.865 K(o=-0.87,f=-3.3!) USER MOD Single : A 819 SER OG : rot 180:sc= 0 USER MOD Single : A 820 THR OG1 : rot 43:sc= 0.549 USER MOD Single : A 821 THR OG1 : rot 180:sc= 0 USER MOD Single : A 826 GLN : amide:sc= -0.423 K(o=-0.42,f=-3.9!) USER MOD Single : A 829 GLN : amide:sc= -0.071 K(o=-0.071,f=-1.7!) USER MOD Single : A 830 TYR OH : rot 180:sc= 0 USER MOD Single : A 831 GLN : amide:sc= -0.108 K(o=-0.11,f=-0.74) USER MOD Single : A 841 LYS NZ :NH3+ 158:sc= -0.0779 (180deg=-0.386) USER MOD Single : A 842 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 844 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0938) USER MOD Single : A 847 SER OG : rot 180:sc= 0 USER MOD Single : A 848 HIS : no HE2:sc= -0.959 X(o=-0.96,f=-1.1) USER MOD Single : A 849 ASN : amide:sc= -0.0127 K(o=-0.013,f=-0.58) USER MOD Single : A 853 SER OG : rot 180:sc= 0 USER MOD Single : A 856 TYR OH : rot 180:sc= 0 USER MOD Single : A 860 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 864 LYS NZ :NH3+ -130:sc= -0.743 (180deg=-2.16!) USER MOD Single : A 869 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 874 SER OG : rot 180:sc= 0 USER MOD Single : A 880 TYR OH : rot 180:sc= 0 USER MOD Single : A 885 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 890 GLN :FLIP amide:sc= -0.179! F(o=-1.5,f=-0.18!) USER MOD Single : A 891 TYR OH : rot 180:sc= 0 USER MOD Single : A 893 TYR OH : rot 180:sc= 0 USER MOD Single : A 896 SER OG : rot 180:sc= 0 USER MOD Single : A 899 SER OG : rot 180:sc= 0 USER MOD Single : A 900 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 801 -33.924 -15.334 7.726 1.00 0.00 N ATOM 2 CA GLY A 801 -33.467 -14.263 6.861 1.00 0.00 C ATOM 3 C GLY A 801 -32.208 -13.597 7.379 1.00 0.00 C ATOM 4 O GLY A 801 -32.196 -13.048 8.481 1.00 0.00 O ATOM 0 HA2 GLY A 801 -33.280 -14.661 5.863 1.00 0.00 H new ATOM 0 HA3 GLY A 801 -34.256 -13.517 6.764 1.00 0.00 H new ATOM 8 N SER A 802 -31.144 -13.645 6.584 1.00 0.00 N ATOM 9 CA SER A 802 -29.872 -13.046 6.971 1.00 0.00 C ATOM 10 C SER A 802 -29.558 -11.831 6.105 1.00 0.00 C ATOM 11 O SER A 802 -29.984 -11.748 4.953 1.00 0.00 O ATOM 12 CB SER A 802 -28.744 -14.074 6.856 1.00 0.00 C ATOM 13 OG SER A 802 -27.666 -13.745 7.715 1.00 0.00 O ATOM 0 H SER A 802 -31.138 -14.093 5.668 1.00 0.00 H new ATOM 0 HA SER A 802 -29.953 -12.720 8.008 1.00 0.00 H new ATOM 0 HB2 SER A 802 -29.123 -15.065 7.106 1.00 0.00 H new ATOM 0 HB3 SER A 802 -28.392 -14.119 5.825 1.00 0.00 H new ATOM 0 HG SER A 802 -26.959 -14.417 7.625 1.00 0.00 H new ATOM 19 N SER A 803 -28.808 -10.888 6.668 1.00 0.00 N ATOM 20 CA SER A 803 -28.439 -9.674 5.949 1.00 0.00 C ATOM 21 C SER A 803 -26.948 -9.387 6.097 1.00 0.00 C ATOM 22 O SER A 803 -26.312 -9.828 7.053 1.00 0.00 O ATOM 23 CB SER A 803 -29.253 -8.485 6.463 1.00 0.00 C ATOM 24 OG SER A 803 -28.921 -8.183 7.807 1.00 0.00 O ATOM 0 H SER A 803 -28.444 -10.942 7.619 1.00 0.00 H new ATOM 0 HA SER A 803 -28.658 -9.826 4.892 1.00 0.00 H new ATOM 0 HB2 SER A 803 -29.067 -7.614 5.835 1.00 0.00 H new ATOM 0 HB3 SER A 803 -30.317 -8.710 6.390 1.00 0.00 H new ATOM 0 HG SER A 803 -29.453 -7.419 8.112 1.00 0.00 H new ATOM 30 N GLY A 804 -26.397 -8.643 5.143 1.00 0.00 N ATOM 31 CA GLY A 804 -24.986 -8.310 5.185 1.00 0.00 C ATOM 32 C GLY A 804 -24.479 -7.768 3.863 1.00 0.00 C ATOM 33 O GLY A 804 -23.915 -8.507 3.056 1.00 0.00 O ATOM 0 H GLY A 804 -26.903 -8.265 4.342 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -24.813 -7.571 5.967 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -24.414 -9.198 5.454 1.00 0.00 H new ATOM 37 N SER A 805 -24.681 -6.473 3.639 1.00 0.00 N ATOM 38 CA SER A 805 -24.245 -5.834 2.403 1.00 0.00 C ATOM 39 C SER A 805 -23.311 -4.664 2.696 1.00 0.00 C ATOM 40 O SER A 805 -23.691 -3.705 3.366 1.00 0.00 O ATOM 41 CB SER A 805 -25.454 -5.348 1.601 1.00 0.00 C ATOM 42 OG SER A 805 -25.048 -4.570 0.488 1.00 0.00 O ATOM 0 H SER A 805 -25.144 -5.846 4.297 1.00 0.00 H new ATOM 0 HA SER A 805 -23.700 -6.572 1.814 1.00 0.00 H new ATOM 0 HB2 SER A 805 -26.035 -6.204 1.258 1.00 0.00 H new ATOM 0 HB3 SER A 805 -26.107 -4.757 2.243 1.00 0.00 H new ATOM 0 HG SER A 805 -25.838 -4.273 -0.009 1.00 0.00 H new ATOM 48 N SER A 806 -22.085 -4.752 2.189 1.00 0.00 N ATOM 49 CA SER A 806 -21.094 -3.704 2.400 1.00 0.00 C ATOM 50 C SER A 806 -20.800 -2.965 1.097 1.00 0.00 C ATOM 51 O SER A 806 -20.918 -1.743 1.024 1.00 0.00 O ATOM 52 CB SER A 806 -19.802 -4.299 2.964 1.00 0.00 C ATOM 53 OG SER A 806 -19.947 -4.621 4.337 1.00 0.00 O ATOM 0 H SER A 806 -21.755 -5.538 1.629 1.00 0.00 H new ATOM 0 HA SER A 806 -21.501 -2.993 3.118 1.00 0.00 H new ATOM 0 HB2 SER A 806 -19.535 -5.195 2.403 1.00 0.00 H new ATOM 0 HB3 SER A 806 -18.985 -3.589 2.838 1.00 0.00 H new ATOM 0 HG SER A 806 -19.109 -5.001 4.674 1.00 0.00 H new ATOM 59 N GLY A 807 -20.416 -3.718 0.071 1.00 0.00 N ATOM 60 CA GLY A 807 -20.110 -3.119 -1.215 1.00 0.00 C ATOM 61 C GLY A 807 -19.307 -1.840 -1.083 1.00 0.00 C ATOM 62 O GLY A 807 -18.658 -1.610 -0.062 1.00 0.00 O ATOM 0 H GLY A 807 -20.311 -4.732 0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 807 -19.553 -3.833 -1.821 1.00 0.00 H new ATOM 0 HA3 GLY A 807 -21.039 -2.908 -1.744 1.00 0.00 H new ATOM 66 N ILE A 808 -19.347 -1.008 -2.118 1.00 0.00 N ATOM 67 CA ILE A 808 -18.616 0.253 -2.113 1.00 0.00 C ATOM 68 C ILE A 808 -19.533 1.421 -2.457 1.00 0.00 C ATOM 69 O ILE A 808 -20.615 1.231 -3.012 1.00 0.00 O ATOM 70 CB ILE A 808 -17.441 0.227 -3.108 1.00 0.00 C ATOM 71 CG1 ILE A 808 -17.946 -0.081 -4.519 1.00 0.00 C ATOM 72 CG2 ILE A 808 -16.403 -0.798 -2.675 1.00 0.00 C ATOM 73 CD1 ILE A 808 -18.322 1.153 -5.309 1.00 0.00 C ATOM 0 H ILE A 808 -19.878 -1.184 -2.971 1.00 0.00 H new ATOM 0 HA ILE A 808 -18.224 0.386 -1.105 1.00 0.00 H new ATOM 0 HB ILE A 808 -16.970 1.210 -3.118 1.00 0.00 H new ATOM 0 HG12 ILE A 808 -17.175 -0.628 -5.061 1.00 0.00 H new ATOM 0 HG13 ILE A 808 -18.814 -0.737 -4.450 1.00 0.00 H new ATOM 0 HG21 ILE A 808 -15.579 -0.805 -3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 808 -16.025 -0.538 -1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 808 -16.861 -1.787 -2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 808 -18.671 0.859 -6.299 1.00 0.00 H new ATOM 0 HD12 ILE A 808 -19.115 1.690 -4.789 1.00 0.00 H new ATOM 0 HD13 ILE A 808 -17.451 1.800 -5.409 1.00 0.00 H new ATOM 85 N GLN A 809 -19.092 2.630 -2.125 1.00 0.00 N ATOM 86 CA GLN A 809 -19.874 3.830 -2.401 1.00 0.00 C ATOM 87 C GLN A 809 -19.069 5.088 -2.088 1.00 0.00 C ATOM 88 O GLN A 809 -18.419 5.177 -1.047 1.00 0.00 O ATOM 89 CB GLN A 809 -21.167 3.821 -1.584 1.00 0.00 C ATOM 90 CG GLN A 809 -22.156 4.899 -1.998 1.00 0.00 C ATOM 91 CD GLN A 809 -23.170 5.207 -0.914 1.00 0.00 C ATOM 92 OE1 GLN A 809 -24.085 4.422 -0.663 1.00 0.00 O ATOM 93 NE2 GLN A 809 -23.014 6.355 -0.266 1.00 0.00 N ATOM 0 H GLN A 809 -18.199 2.805 -1.665 1.00 0.00 H new ATOM 0 HA GLN A 809 -20.123 3.835 -3.462 1.00 0.00 H new ATOM 0 HB2 GLN A 809 -21.643 2.845 -1.683 1.00 0.00 H new ATOM 0 HB3 GLN A 809 -20.922 3.950 -0.530 1.00 0.00 H new ATOM 0 HG2 GLN A 809 -21.611 5.809 -2.250 1.00 0.00 H new ATOM 0 HG3 GLN A 809 -22.679 4.580 -2.900 1.00 0.00 H new ATOM 0 HE21 GLN A 809 -22.241 6.976 -0.507 1.00 0.00 H new ATOM 0 HE22 GLN A 809 -23.667 6.616 0.473 1.00 0.00 H new ATOM 102 N MET A 810 -19.118 6.057 -2.996 1.00 0.00 N ATOM 103 CA MET A 810 -18.394 7.310 -2.815 1.00 0.00 C ATOM 104 C MET A 810 -19.268 8.347 -2.119 1.00 0.00 C ATOM 105 O MET A 810 -20.308 8.750 -2.642 1.00 0.00 O ATOM 106 CB MET A 810 -17.920 7.849 -4.166 1.00 0.00 C ATOM 107 CG MET A 810 -19.055 8.166 -5.126 1.00 0.00 C ATOM 108 SD MET A 810 -18.473 8.538 -6.792 1.00 0.00 S ATOM 109 CE MET A 810 -18.303 10.319 -6.701 1.00 0.00 C ATOM 0 H MET A 810 -19.651 5.999 -3.864 1.00 0.00 H new ATOM 0 HA MET A 810 -17.526 7.112 -2.186 1.00 0.00 H new ATOM 0 HB2 MET A 810 -17.331 8.752 -4.002 1.00 0.00 H new ATOM 0 HB3 MET A 810 -17.258 7.117 -4.628 1.00 0.00 H new ATOM 0 HG2 MET A 810 -19.740 7.319 -5.165 1.00 0.00 H new ATOM 0 HG3 MET A 810 -19.621 9.016 -4.745 1.00 0.00 H new ATOM 0 HE1 MET A 810 -17.950 10.700 -7.659 1.00 0.00 H new ATOM 0 HE2 MET A 810 -19.270 10.765 -6.467 1.00 0.00 H new ATOM 0 HE3 MET A 810 -17.586 10.577 -5.921 1.00 0.00 H new ATOM 119 N LYS A 811 -18.841 8.777 -0.937 1.00 0.00 N ATOM 120 CA LYS A 811 -19.584 9.769 -0.168 1.00 0.00 C ATOM 121 C LYS A 811 -18.704 10.970 0.164 1.00 0.00 C ATOM 122 O LYS A 811 -17.516 10.988 -0.156 1.00 0.00 O ATOM 123 CB LYS A 811 -20.123 9.146 1.121 1.00 0.00 C ATOM 124 CG LYS A 811 -19.039 8.591 2.028 1.00 0.00 C ATOM 125 CD LYS A 811 -19.523 8.463 3.463 1.00 0.00 C ATOM 126 CE LYS A 811 -18.680 7.470 4.249 1.00 0.00 C ATOM 127 NZ LYS A 811 -19.044 7.456 5.693 1.00 0.00 N ATOM 0 H LYS A 811 -17.983 8.454 -0.490 1.00 0.00 H new ATOM 0 HA LYS A 811 -20.421 10.111 -0.776 1.00 0.00 H new ATOM 0 HB2 LYS A 811 -20.692 9.898 1.667 1.00 0.00 H new ATOM 0 HB3 LYS A 811 -20.816 8.345 0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 811 -18.722 7.615 1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 811 -18.166 9.243 1.994 1.00 0.00 H new ATOM 0 HD2 LYS A 811 -19.486 9.438 3.949 1.00 0.00 H new ATOM 0 HD3 LYS A 811 -20.565 8.143 3.470 1.00 0.00 H new ATOM 0 HE2 LYS A 811 -18.811 6.472 3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 811 -17.625 7.724 4.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 811 -18.448 6.767 6.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 811 -18.895 8.402 6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 811 -20.044 7.189 5.796 1.00 0.00 H new ATOM 141 N GLU A 812 -19.296 11.971 0.809 1.00 0.00 N ATOM 142 CA GLU A 812 -18.565 13.175 1.184 1.00 0.00 C ATOM 143 C GLU A 812 -17.179 12.826 1.719 1.00 0.00 C ATOM 144 O GLU A 812 -16.916 11.683 2.097 1.00 0.00 O ATOM 145 CB GLU A 812 -19.345 13.965 2.237 1.00 0.00 C ATOM 146 CG GLU A 812 -18.723 15.310 2.574 1.00 0.00 C ATOM 147 CD GLU A 812 -19.711 16.266 3.215 1.00 0.00 C ATOM 148 OE1 GLU A 812 -20.090 16.034 4.382 1.00 0.00 O ATOM 149 OE2 GLU A 812 -20.105 17.246 2.548 1.00 0.00 O ATOM 0 H GLU A 812 -20.279 11.971 1.082 1.00 0.00 H new ATOM 0 HA GLU A 812 -18.447 13.790 0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 812 -20.362 14.124 1.880 1.00 0.00 H new ATOM 0 HB3 GLU A 812 -19.416 13.369 3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 812 -17.881 15.158 3.249 1.00 0.00 H new ATOM 0 HG3 GLU A 812 -18.325 15.760 1.664 1.00 0.00 H new ATOM 156 N THR A 813 -16.294 13.818 1.747 1.00 0.00 N ATOM 157 CA THR A 813 -14.935 13.616 2.234 1.00 0.00 C ATOM 158 C THR A 813 -14.766 14.177 3.641 1.00 0.00 C ATOM 159 O THR A 813 -15.451 15.123 4.030 1.00 0.00 O ATOM 160 CB THR A 813 -13.902 14.277 1.302 1.00 0.00 C ATOM 161 OG1 THR A 813 -14.270 15.637 1.048 1.00 0.00 O ATOM 162 CG2 THR A 813 -13.797 13.520 -0.014 1.00 0.00 C ATOM 0 H THR A 813 -16.494 14.769 1.438 1.00 0.00 H new ATOM 0 HA THR A 813 -14.762 12.540 2.252 1.00 0.00 H new ATOM 0 HB THR A 813 -12.931 14.251 1.796 1.00 0.00 H new ATOM 0 HG1 THR A 813 -13.607 16.050 0.456 1.00 0.00 H new ATOM 0 HG21 THR A 813 -13.062 14.006 -0.655 1.00 0.00 H new ATOM 0 HG22 THR A 813 -13.487 12.493 0.181 1.00 0.00 H new ATOM 0 HG23 THR A 813 -14.767 13.518 -0.511 1.00 0.00 H new ATOM 170 N VAL A 814 -13.848 13.588 4.401 1.00 0.00 N ATOM 171 CA VAL A 814 -13.587 14.030 5.766 1.00 0.00 C ATOM 172 C VAL A 814 -12.230 14.716 5.871 1.00 0.00 C ATOM 173 O VAL A 814 -11.276 14.332 5.195 1.00 0.00 O ATOM 174 CB VAL A 814 -13.633 12.852 6.756 1.00 0.00 C ATOM 175 CG1 VAL A 814 -15.000 12.183 6.728 1.00 0.00 C ATOM 176 CG2 VAL A 814 -12.534 11.849 6.442 1.00 0.00 C ATOM 0 H VAL A 814 -13.273 12.804 4.095 1.00 0.00 H new ATOM 0 HA VAL A 814 -14.371 14.742 6.024 1.00 0.00 H new ATOM 0 HB VAL A 814 -13.465 13.239 7.761 1.00 0.00 H new ATOM 0 HG11 VAL A 814 -15.013 11.353 7.434 1.00 0.00 H new ATOM 0 HG12 VAL A 814 -15.765 12.908 7.005 1.00 0.00 H new ATOM 0 HG13 VAL A 814 -15.201 11.809 5.724 1.00 0.00 H new ATOM 0 HG21 VAL A 814 -12.582 11.023 7.152 1.00 0.00 H new ATOM 0 HG22 VAL A 814 -12.669 11.466 5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 814 -11.563 12.338 6.519 1.00 0.00 H new ATOM 186 N GLU A 815 -12.151 15.732 6.724 1.00 0.00 N ATOM 187 CA GLU A 815 -10.909 16.471 6.917 1.00 0.00 C ATOM 188 C GLU A 815 -10.856 17.092 8.311 1.00 0.00 C ATOM 189 O GLU A 815 -11.668 17.953 8.648 1.00 0.00 O ATOM 190 CB GLU A 815 -10.769 17.564 5.855 1.00 0.00 C ATOM 191 CG GLU A 815 -9.566 18.467 6.066 1.00 0.00 C ATOM 192 CD GLU A 815 -9.705 19.800 5.357 1.00 0.00 C ATOM 193 OE1 GLU A 815 -10.354 20.706 5.920 1.00 0.00 O ATOM 194 OE2 GLU A 815 -9.167 19.937 4.238 1.00 0.00 O ATOM 0 H GLU A 815 -12.931 16.062 7.292 1.00 0.00 H new ATOM 0 HA GLU A 815 -10.080 15.770 6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 815 -10.694 17.097 4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 815 -11.673 18.173 5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 815 -9.429 18.640 7.133 1.00 0.00 H new ATOM 0 HG3 GLU A 815 -8.669 17.961 5.708 1.00 0.00 H new ATOM 201 N GLU A 816 -9.896 16.647 9.115 1.00 0.00 N ATOM 202 CA GLU A 816 -9.738 17.157 10.471 1.00 0.00 C ATOM 203 C GLU A 816 -8.622 18.196 10.536 1.00 0.00 C ATOM 204 O GLU A 816 -7.463 17.894 10.253 1.00 0.00 O ATOM 205 CB GLU A 816 -9.440 16.011 11.440 1.00 0.00 C ATOM 206 CG GLU A 816 -8.205 15.207 11.070 1.00 0.00 C ATOM 207 CD GLU A 816 -8.014 13.990 11.954 1.00 0.00 C ATOM 208 OE1 GLU A 816 -8.959 13.181 12.060 1.00 0.00 O ATOM 209 OE2 GLU A 816 -6.921 13.847 12.541 1.00 0.00 O ATOM 0 H GLU A 816 -9.216 15.934 8.851 1.00 0.00 H new ATOM 0 HA GLU A 816 -10.673 17.635 10.762 1.00 0.00 H new ATOM 0 HB2 GLU A 816 -9.311 16.418 12.443 1.00 0.00 H new ATOM 0 HB3 GLU A 816 -10.301 15.343 11.476 1.00 0.00 H new ATOM 0 HG2 GLU A 816 -8.282 14.888 10.031 1.00 0.00 H new ATOM 0 HG3 GLU A 816 -7.325 15.846 11.143 1.00 0.00 H new ATOM 216 N GLN A 817 -8.981 19.419 10.910 1.00 0.00 N ATOM 217 CA GLN A 817 -8.010 20.503 11.010 1.00 0.00 C ATOM 218 C GLN A 817 -7.700 20.823 12.469 1.00 0.00 C ATOM 219 O GLN A 817 -8.578 21.245 13.222 1.00 0.00 O ATOM 220 CB GLN A 817 -8.535 21.753 10.302 1.00 0.00 C ATOM 221 CG GLN A 817 -7.462 22.798 10.038 1.00 0.00 C ATOM 222 CD GLN A 817 -7.192 23.675 11.245 1.00 0.00 C ATOM 223 OE1 GLN A 817 -8.004 23.746 12.169 1.00 0.00 O ATOM 224 NE2 GLN A 817 -6.048 24.348 11.244 1.00 0.00 N ATOM 0 H GLN A 817 -9.936 19.685 11.149 1.00 0.00 H new ATOM 0 HA GLN A 817 -7.090 20.179 10.525 1.00 0.00 H new ATOM 0 HB2 GLN A 817 -8.987 21.461 9.354 1.00 0.00 H new ATOM 0 HB3 GLN A 817 -9.324 22.199 10.907 1.00 0.00 H new ATOM 0 HG2 GLN A 817 -6.539 22.299 9.743 1.00 0.00 H new ATOM 0 HG3 GLN A 817 -7.768 23.424 9.200 1.00 0.00 H new ATOM 0 HE21 GLN A 817 -5.405 24.259 10.457 1.00 0.00 H new ATOM 0 HE22 GLN A 817 -5.812 24.954 12.030 1.00 0.00 H new ATOM 233 N ALA A 818 -6.447 20.618 12.861 1.00 0.00 N ATOM 234 CA ALA A 818 -6.021 20.886 14.229 1.00 0.00 C ATOM 235 C ALA A 818 -4.501 20.861 14.346 1.00 0.00 C ATOM 236 O ALA A 818 -3.805 20.430 13.426 1.00 0.00 O ATOM 237 CB ALA A 818 -6.643 19.877 15.183 1.00 0.00 C ATOM 0 H ALA A 818 -5.709 20.267 12.250 1.00 0.00 H new ATOM 0 HA ALA A 818 -6.363 21.885 14.501 1.00 0.00 H new ATOM 0 HB1 ALA A 818 -6.316 20.089 16.201 1.00 0.00 H new ATOM 0 HB2 ALA A 818 -7.729 19.947 15.129 1.00 0.00 H new ATOM 0 HB3 ALA A 818 -6.330 18.871 14.904 1.00 0.00 H new ATOM 243 N SER A 819 -3.992 21.326 15.482 1.00 0.00 N ATOM 244 CA SER A 819 -2.553 21.361 15.717 1.00 0.00 C ATOM 245 C SER A 819 -1.921 20.005 15.418 1.00 0.00 C ATOM 246 O SER A 819 -2.619 19.006 15.237 1.00 0.00 O ATOM 247 CB SER A 819 -2.260 21.765 17.163 1.00 0.00 C ATOM 248 OG SER A 819 -2.838 23.022 17.468 1.00 0.00 O ATOM 0 H SER A 819 -4.554 21.684 16.254 1.00 0.00 H new ATOM 0 HA SER A 819 -2.118 22.101 15.046 1.00 0.00 H new ATOM 0 HB2 SER A 819 -2.651 21.007 17.842 1.00 0.00 H new ATOM 0 HB3 SER A 819 -1.182 21.809 17.320 1.00 0.00 H new ATOM 0 HG SER A 819 -2.638 23.257 18.398 1.00 0.00 H new ATOM 254 N THR A 820 -0.593 19.976 15.368 1.00 0.00 N ATOM 255 CA THR A 820 0.135 18.744 15.090 1.00 0.00 C ATOM 256 C THR A 820 -0.530 17.549 15.762 1.00 0.00 C ATOM 257 O THR A 820 -0.402 17.351 16.970 1.00 0.00 O ATOM 258 CB THR A 820 1.598 18.837 15.565 1.00 0.00 C ATOM 259 OG1 THR A 820 1.642 19.212 16.946 1.00 0.00 O ATOM 260 CG2 THR A 820 2.373 19.849 14.734 1.00 0.00 C ATOM 0 H THR A 820 0.001 20.792 15.516 1.00 0.00 H new ATOM 0 HA THR A 820 0.119 18.605 14.009 1.00 0.00 H new ATOM 0 HB THR A 820 2.060 17.858 15.440 1.00 0.00 H new ATOM 0 HG1 THR A 820 0.961 18.712 17.443 1.00 0.00 H new ATOM 0 HG21 THR A 820 3.403 19.898 15.087 1.00 0.00 H new ATOM 0 HG22 THR A 820 2.362 19.545 13.687 1.00 0.00 H new ATOM 0 HG23 THR A 820 1.909 20.831 14.831 1.00 0.00 H new ATOM 268 N THR A 821 -1.243 16.752 14.971 1.00 0.00 N ATOM 269 CA THR A 821 -1.929 15.576 15.489 1.00 0.00 C ATOM 270 C THR A 821 -0.941 14.463 15.819 1.00 0.00 C ATOM 271 O THR A 821 -0.354 13.857 14.923 1.00 0.00 O ATOM 272 CB THR A 821 -2.968 15.043 14.485 1.00 0.00 C ATOM 273 OG1 THR A 821 -3.890 16.082 14.136 1.00 0.00 O ATOM 274 CG2 THR A 821 -3.727 13.860 15.066 1.00 0.00 C ATOM 0 H THR A 821 -1.360 16.901 13.969 1.00 0.00 H new ATOM 0 HA THR A 821 -2.441 15.886 16.400 1.00 0.00 H new ATOM 0 HB THR A 821 -2.439 14.711 13.592 1.00 0.00 H new ATOM 0 HG1 THR A 821 -4.546 15.736 13.496 1.00 0.00 H new ATOM 0 HG21 THR A 821 -4.455 13.502 14.338 1.00 0.00 H new ATOM 0 HG22 THR A 821 -3.026 13.059 15.303 1.00 0.00 H new ATOM 0 HG23 THR A 821 -4.244 14.170 15.974 1.00 0.00 H new ATOM 282 N GLU A 822 -0.762 14.199 17.109 1.00 0.00 N ATOM 283 CA GLU A 822 0.157 13.158 17.555 1.00 0.00 C ATOM 284 C GLU A 822 -0.116 11.844 16.829 1.00 0.00 C ATOM 285 O GLU A 822 0.809 11.173 16.370 1.00 0.00 O ATOM 286 CB GLU A 822 0.035 12.953 19.067 1.00 0.00 C ATOM 287 CG GLU A 822 0.947 11.865 19.609 1.00 0.00 C ATOM 288 CD GLU A 822 0.768 11.642 21.098 1.00 0.00 C ATOM 289 OE1 GLU A 822 1.145 12.538 21.882 1.00 0.00 O ATOM 290 OE2 GLU A 822 0.251 10.572 21.479 1.00 0.00 O ATOM 0 H GLU A 822 -1.241 14.691 17.863 1.00 0.00 H new ATOM 0 HA GLU A 822 1.172 13.479 17.320 1.00 0.00 H new ATOM 0 HB2 GLU A 822 0.263 13.892 19.572 1.00 0.00 H new ATOM 0 HB3 GLU A 822 -0.998 12.704 19.309 1.00 0.00 H new ATOM 0 HG2 GLU A 822 0.749 10.933 19.079 1.00 0.00 H new ATOM 0 HG3 GLU A 822 1.984 12.132 19.408 1.00 0.00 H new ATOM 297 N ARG A 823 -1.391 11.484 16.728 1.00 0.00 N ATOM 298 CA ARG A 823 -1.786 10.250 16.059 1.00 0.00 C ATOM 299 C ARG A 823 -0.935 10.009 14.816 1.00 0.00 C ATOM 300 O ARG A 823 -0.646 8.866 14.461 1.00 0.00 O ATOM 301 CB ARG A 823 -3.266 10.305 15.675 1.00 0.00 C ATOM 302 CG ARG A 823 -3.797 8.998 15.109 1.00 0.00 C ATOM 303 CD ARG A 823 -5.281 8.830 15.393 1.00 0.00 C ATOM 304 NE ARG A 823 -6.100 9.707 14.560 1.00 0.00 N ATOM 305 CZ ARG A 823 -7.428 9.698 14.568 1.00 0.00 C ATOM 306 NH1 ARG A 823 -8.084 8.863 15.361 1.00 0.00 N ATOM 307 NH2 ARG A 823 -8.103 10.527 13.781 1.00 0.00 N ATOM 0 H ARG A 823 -2.168 12.029 17.101 1.00 0.00 H new ATOM 0 HA ARG A 823 -1.628 9.423 16.752 1.00 0.00 H new ATOM 0 HB2 ARG A 823 -3.851 10.575 16.554 1.00 0.00 H new ATOM 0 HB3 ARG A 823 -3.413 11.096 14.940 1.00 0.00 H new ATOM 0 HG2 ARG A 823 -3.626 8.970 14.033 1.00 0.00 H new ATOM 0 HG3 ARG A 823 -3.246 8.163 15.541 1.00 0.00 H new ATOM 0 HD2 ARG A 823 -5.568 7.793 15.219 1.00 0.00 H new ATOM 0 HD3 ARG A 823 -5.475 9.043 16.444 1.00 0.00 H new ATOM 0 HE ARG A 823 -5.626 10.362 13.938 1.00 0.00 H new ATOM 0 HH11 ARG A 823 -7.569 8.225 15.967 1.00 0.00 H new ATOM 0 HH12 ARG A 823 -9.104 8.859 15.365 1.00 0.00 H new ATOM 0 HH21 ARG A 823 -7.602 11.171 13.170 1.00 0.00 H new ATOM 0 HH22 ARG A 823 -9.123 10.520 13.788 1.00 0.00 H new ATOM 321 N VAL A 824 -0.536 11.093 14.159 1.00 0.00 N ATOM 322 CA VAL A 824 0.282 11.000 12.956 1.00 0.00 C ATOM 323 C VAL A 824 1.603 10.296 13.243 1.00 0.00 C ATOM 324 O VAL A 824 2.009 9.391 12.514 1.00 0.00 O ATOM 325 CB VAL A 824 0.573 12.393 12.366 1.00 0.00 C ATOM 326 CG1 VAL A 824 1.356 12.270 11.067 1.00 0.00 C ATOM 327 CG2 VAL A 824 -0.722 13.159 12.146 1.00 0.00 C ATOM 0 H VAL A 824 -0.766 12.046 14.440 1.00 0.00 H new ATOM 0 HA VAL A 824 -0.287 10.418 12.231 1.00 0.00 H new ATOM 0 HB VAL A 824 1.182 12.950 13.078 1.00 0.00 H new ATOM 0 HG11 VAL A 824 1.552 13.264 10.665 1.00 0.00 H new ATOM 0 HG12 VAL A 824 2.302 11.763 11.259 1.00 0.00 H new ATOM 0 HG13 VAL A 824 0.776 11.695 10.345 1.00 0.00 H new ATOM 0 HG21 VAL A 824 -0.498 14.141 11.729 1.00 0.00 H new ATOM 0 HG22 VAL A 824 -1.358 12.607 11.454 1.00 0.00 H new ATOM 0 HG23 VAL A 824 -1.240 13.279 13.098 1.00 0.00 H new ATOM 337 N PHE A 825 2.271 10.717 14.312 1.00 0.00 N ATOM 338 CA PHE A 825 3.548 10.127 14.697 1.00 0.00 C ATOM 339 C PHE A 825 3.516 8.609 14.540 1.00 0.00 C ATOM 340 O PHE A 825 4.442 8.013 13.991 1.00 0.00 O ATOM 341 CB PHE A 825 3.889 10.494 16.143 1.00 0.00 C ATOM 342 CG PHE A 825 5.139 9.834 16.651 1.00 0.00 C ATOM 343 CD1 PHE A 825 5.148 8.484 16.960 1.00 0.00 C ATOM 344 CD2 PHE A 825 6.305 10.564 16.817 1.00 0.00 C ATOM 345 CE1 PHE A 825 6.297 7.874 17.428 1.00 0.00 C ATOM 346 CE2 PHE A 825 7.457 9.960 17.284 1.00 0.00 C ATOM 347 CZ PHE A 825 7.453 8.613 17.589 1.00 0.00 C ATOM 0 H PHE A 825 1.949 11.464 14.927 1.00 0.00 H new ATOM 0 HA PHE A 825 4.318 10.527 14.037 1.00 0.00 H new ATOM 0 HB2 PHE A 825 4.003 11.575 16.218 1.00 0.00 H new ATOM 0 HB3 PHE A 825 3.054 10.216 16.786 1.00 0.00 H new ATOM 0 HD1 PHE A 825 4.247 7.901 16.834 1.00 0.00 H new ATOM 0 HD2 PHE A 825 6.314 11.617 16.579 1.00 0.00 H new ATOM 0 HE1 PHE A 825 6.291 6.821 17.667 1.00 0.00 H new ATOM 0 HE2 PHE A 825 8.359 10.540 17.410 1.00 0.00 H new ATOM 0 HZ PHE A 825 8.352 8.138 17.953 1.00 0.00 H new ATOM 357 N GLN A 826 2.443 7.993 15.026 1.00 0.00 N ATOM 358 CA GLN A 826 2.290 6.546 14.941 1.00 0.00 C ATOM 359 C GLN A 826 1.983 6.114 13.511 1.00 0.00 C ATOM 360 O GLN A 826 2.618 5.206 12.976 1.00 0.00 O ATOM 361 CB GLN A 826 1.179 6.073 15.879 1.00 0.00 C ATOM 362 CG GLN A 826 1.618 5.952 17.330 1.00 0.00 C ATOM 363 CD GLN A 826 1.472 7.253 18.094 1.00 0.00 C ATOM 364 OE1 GLN A 826 2.207 8.212 17.857 1.00 0.00 O ATOM 365 NE2 GLN A 826 0.519 7.293 19.018 1.00 0.00 N ATOM 0 H GLN A 826 1.668 8.473 15.482 1.00 0.00 H new ATOM 0 HA GLN A 826 3.231 6.088 15.245 1.00 0.00 H new ATOM 0 HB2 GLN A 826 0.343 6.769 15.818 1.00 0.00 H new ATOM 0 HB3 GLN A 826 0.814 5.105 15.537 1.00 0.00 H new ATOM 0 HG2 GLN A 826 1.028 5.178 17.821 1.00 0.00 H new ATOM 0 HG3 GLN A 826 2.659 5.629 17.365 1.00 0.00 H new ATOM 0 HE21 GLN A 826 -0.067 6.475 19.182 1.00 0.00 H new ATOM 0 HE22 GLN A 826 0.373 8.142 19.564 1.00 0.00 H new ATOM 374 N ASP A 827 1.004 6.770 12.898 1.00 0.00 N ATOM 375 CA ASP A 827 0.612 6.455 11.529 1.00 0.00 C ATOM 376 C ASP A 827 1.837 6.309 10.633 1.00 0.00 C ATOM 377 O ASP A 827 1.893 5.422 9.780 1.00 0.00 O ATOM 378 CB ASP A 827 -0.312 7.542 10.977 1.00 0.00 C ATOM 379 CG ASP A 827 -0.216 7.673 9.470 1.00 0.00 C ATOM 380 OD1 ASP A 827 -0.018 6.641 8.796 1.00 0.00 O ATOM 381 OD2 ASP A 827 -0.337 8.809 8.964 1.00 0.00 O ATOM 0 H ASP A 827 0.467 7.523 13.327 1.00 0.00 H new ATOM 0 HA ASP A 827 0.077 5.505 11.540 1.00 0.00 H new ATOM 0 HB2 ASP A 827 -1.341 7.315 11.254 1.00 0.00 H new ATOM 0 HB3 ASP A 827 -0.061 8.497 11.439 1.00 0.00 H new ATOM 386 N ARG A 828 2.817 7.185 10.831 1.00 0.00 N ATOM 387 CA ARG A 828 4.041 7.155 10.039 1.00 0.00 C ATOM 388 C ARG A 828 4.795 5.846 10.254 1.00 0.00 C ATOM 389 O ARG A 828 4.821 4.982 9.378 1.00 0.00 O ATOM 390 CB ARG A 828 4.938 8.339 10.403 1.00 0.00 C ATOM 391 CG ARG A 828 6.178 8.454 9.531 1.00 0.00 C ATOM 392 CD ARG A 828 7.346 7.676 10.119 1.00 0.00 C ATOM 393 NE ARG A 828 7.715 8.163 11.445 1.00 0.00 N ATOM 394 CZ ARG A 828 8.531 7.512 12.266 1.00 0.00 C ATOM 395 NH1 ARG A 828 9.061 6.353 11.898 1.00 0.00 N ATOM 396 NH2 ARG A 828 8.820 8.019 13.458 1.00 0.00 N ATOM 0 H ARG A 828 2.787 7.924 11.533 1.00 0.00 H new ATOM 0 HA ARG A 828 3.766 7.227 8.987 1.00 0.00 H new ATOM 0 HB2 ARG A 828 4.360 9.260 10.322 1.00 0.00 H new ATOM 0 HB3 ARG A 828 5.244 8.245 11.445 1.00 0.00 H new ATOM 0 HG2 ARG A 828 5.957 8.081 8.531 1.00 0.00 H new ATOM 0 HG3 ARG A 828 6.454 9.503 9.426 1.00 0.00 H new ATOM 0 HD2 ARG A 828 7.084 6.620 10.181 1.00 0.00 H new ATOM 0 HD3 ARG A 828 8.205 7.753 9.452 1.00 0.00 H new ATOM 0 HE ARG A 828 7.325 9.052 11.758 1.00 0.00 H new ATOM 0 HH11 ARG A 828 8.842 5.960 10.983 1.00 0.00 H new ATOM 0 HH12 ARG A 828 9.687 5.855 12.530 1.00 0.00 H new ATOM 0 HH21 ARG A 828 8.415 8.910 13.745 1.00 0.00 H new ATOM 0 HH22 ARG A 828 9.447 7.517 14.087 1.00 0.00 H new ATOM 410 N GLN A 829 5.409 5.708 11.425 1.00 0.00 N ATOM 411 CA GLN A 829 6.165 4.506 11.754 1.00 0.00 C ATOM 412 C GLN A 829 5.435 3.256 11.275 1.00 0.00 C ATOM 413 O GLN A 829 6.061 2.267 10.893 1.00 0.00 O ATOM 414 CB GLN A 829 6.403 4.424 13.263 1.00 0.00 C ATOM 415 CG GLN A 829 5.140 4.150 14.064 1.00 0.00 C ATOM 416 CD GLN A 829 5.434 3.580 15.438 1.00 0.00 C ATOM 417 OE1 GLN A 829 6.589 3.340 15.790 1.00 0.00 O ATOM 418 NE2 GLN A 829 4.386 3.361 16.224 1.00 0.00 N ATOM 0 H GLN A 829 5.397 6.414 12.161 1.00 0.00 H new ATOM 0 HA GLN A 829 7.127 4.562 11.244 1.00 0.00 H new ATOM 0 HB2 GLN A 829 7.130 3.637 13.466 1.00 0.00 H new ATOM 0 HB3 GLN A 829 6.844 5.361 13.604 1.00 0.00 H new ATOM 0 HG2 GLN A 829 4.575 5.076 14.172 1.00 0.00 H new ATOM 0 HG3 GLN A 829 4.509 3.453 13.513 1.00 0.00 H new ATOM 0 HE21 GLN A 829 3.446 3.575 15.892 1.00 0.00 H new ATOM 0 HE22 GLN A 829 4.522 2.979 17.160 1.00 0.00 H new ATOM 427 N TYR A 830 4.108 3.306 11.297 1.00 0.00 N ATOM 428 CA TYR A 830 3.292 2.177 10.867 1.00 0.00 C ATOM 429 C TYR A 830 3.283 2.059 9.346 1.00 0.00 C ATOM 430 O TYR A 830 3.506 0.982 8.795 1.00 0.00 O ATOM 431 CB TYR A 830 1.861 2.326 11.387 1.00 0.00 C ATOM 432 CG TYR A 830 1.698 1.921 12.835 1.00 0.00 C ATOM 433 CD1 TYR A 830 2.153 0.688 13.287 1.00 0.00 C ATOM 434 CD2 TYR A 830 1.087 2.769 13.750 1.00 0.00 C ATOM 435 CE1 TYR A 830 2.005 0.313 14.608 1.00 0.00 C ATOM 436 CE2 TYR A 830 0.936 2.403 15.073 1.00 0.00 C ATOM 437 CZ TYR A 830 1.397 1.173 15.497 1.00 0.00 C ATOM 438 OH TYR A 830 1.247 0.804 16.815 1.00 0.00 O ATOM 0 H TYR A 830 3.574 4.117 11.608 1.00 0.00 H new ATOM 0 HA TYR A 830 3.729 1.268 11.281 1.00 0.00 H new ATOM 0 HB2 TYR A 830 1.547 3.363 11.271 1.00 0.00 H new ATOM 0 HB3 TYR A 830 1.195 1.721 10.772 1.00 0.00 H new ATOM 0 HD1 TYR A 830 2.630 0.012 12.593 1.00 0.00 H new ATOM 0 HD2 TYR A 830 0.724 3.731 13.421 1.00 0.00 H new ATOM 0 HE1 TYR A 830 2.364 -0.649 14.943 1.00 0.00 H new ATOM 0 HE2 TYR A 830 0.460 3.075 15.772 1.00 0.00 H new ATOM 0 HH TYR A 830 0.800 1.524 17.307 1.00 0.00 H new ATOM 448 N GLN A 831 3.022 3.176 8.675 1.00 0.00 N ATOM 449 CA GLN A 831 2.983 3.200 7.217 1.00 0.00 C ATOM 450 C GLN A 831 4.253 2.594 6.629 1.00 0.00 C ATOM 451 O GLN A 831 4.209 1.906 5.609 1.00 0.00 O ATOM 452 CB GLN A 831 2.807 4.633 6.714 1.00 0.00 C ATOM 453 CG GLN A 831 1.358 5.094 6.686 1.00 0.00 C ATOM 454 CD GLN A 831 0.527 4.346 5.662 1.00 0.00 C ATOM 455 OE1 GLN A 831 0.970 4.112 4.537 1.00 0.00 O ATOM 456 NE2 GLN A 831 -0.685 3.965 6.048 1.00 0.00 N ATOM 0 H GLN A 831 2.834 4.076 9.117 1.00 0.00 H new ATOM 0 HA GLN A 831 2.132 2.602 6.891 1.00 0.00 H new ATOM 0 HB2 GLN A 831 3.382 5.306 7.351 1.00 0.00 H new ATOM 0 HB3 GLN A 831 3.224 4.711 5.710 1.00 0.00 H new ATOM 0 HG2 GLN A 831 0.918 4.958 7.674 1.00 0.00 H new ATOM 0 HG3 GLN A 831 1.324 6.161 6.466 1.00 0.00 H new ATOM 0 HE21 GLN A 831 -1.011 4.180 6.990 1.00 0.00 H new ATOM 0 HE22 GLN A 831 -1.290 3.457 5.402 1.00 0.00 H new ATOM 465 N ILE A 832 5.383 2.855 7.278 1.00 0.00 N ATOM 466 CA ILE A 832 6.665 2.335 6.819 1.00 0.00 C ATOM 467 C ILE A 832 6.805 0.852 7.145 1.00 0.00 C ATOM 468 O ILE A 832 6.859 0.011 6.247 1.00 0.00 O ATOM 469 CB ILE A 832 7.842 3.101 7.452 1.00 0.00 C ATOM 470 CG1 ILE A 832 7.932 4.513 6.868 1.00 0.00 C ATOM 471 CG2 ILE A 832 9.144 2.347 7.231 1.00 0.00 C ATOM 472 CD1 ILE A 832 6.914 5.471 7.445 1.00 0.00 C ATOM 0 H ILE A 832 5.437 3.423 8.123 1.00 0.00 H new ATOM 0 HA ILE A 832 6.692 2.471 5.738 1.00 0.00 H new ATOM 0 HB ILE A 832 7.669 3.182 8.525 1.00 0.00 H new ATOM 0 HG12 ILE A 832 8.932 4.908 7.046 1.00 0.00 H new ATOM 0 HG13 ILE A 832 7.798 4.460 5.788 1.00 0.00 H new ATOM 0 HG21 ILE A 832 9.966 2.901 7.684 1.00 0.00 H new ATOM 0 HG22 ILE A 832 9.075 1.360 7.689 1.00 0.00 H new ATOM 0 HG23 ILE A 832 9.325 2.239 6.162 1.00 0.00 H new ATOM 0 HD11 ILE A 832 7.036 6.452 6.986 1.00 0.00 H new ATOM 0 HD12 ILE A 832 5.909 5.099 7.244 1.00 0.00 H new ATOM 0 HD13 ILE A 832 7.062 5.554 8.522 1.00 0.00 H new ATOM 484 N ASP A 833 6.861 0.538 8.434 1.00 0.00 N ATOM 485 CA ASP A 833 6.991 -0.845 8.879 1.00 0.00 C ATOM 486 C ASP A 833 6.070 -1.762 8.081 1.00 0.00 C ATOM 487 O ASP A 833 6.451 -2.872 7.712 1.00 0.00 O ATOM 488 CB ASP A 833 6.673 -0.955 10.371 1.00 0.00 C ATOM 489 CG ASP A 833 6.876 -2.359 10.905 1.00 0.00 C ATOM 490 OD1 ASP A 833 6.340 -3.308 10.295 1.00 0.00 O ATOM 491 OD2 ASP A 833 7.570 -2.510 11.932 1.00 0.00 O ATOM 0 H ASP A 833 6.818 1.222 9.190 1.00 0.00 H new ATOM 0 HA ASP A 833 8.021 -1.159 8.711 1.00 0.00 H new ATOM 0 HB2 ASP A 833 7.306 -0.263 10.926 1.00 0.00 H new ATOM 0 HB3 ASP A 833 5.641 -0.650 10.543 1.00 0.00 H new ATOM 496 N ALA A 834 4.855 -1.290 7.820 1.00 0.00 N ATOM 497 CA ALA A 834 3.880 -2.067 7.065 1.00 0.00 C ATOM 498 C ALA A 834 4.294 -2.197 5.603 1.00 0.00 C ATOM 499 O ALA A 834 4.446 -3.304 5.088 1.00 0.00 O ATOM 500 CB ALA A 834 2.502 -1.430 7.170 1.00 0.00 C ATOM 0 H ALA A 834 4.523 -0.374 8.120 1.00 0.00 H new ATOM 0 HA ALA A 834 3.840 -3.068 7.494 1.00 0.00 H new ATOM 0 HB1 ALA A 834 1.784 -2.021 6.601 1.00 0.00 H new ATOM 0 HB2 ALA A 834 2.196 -1.395 8.216 1.00 0.00 H new ATOM 0 HB3 ALA A 834 2.538 -0.417 6.768 1.00 0.00 H new ATOM 506 N ALA A 835 4.475 -1.059 4.941 1.00 0.00 N ATOM 507 CA ALA A 835 4.873 -1.046 3.539 1.00 0.00 C ATOM 508 C ALA A 835 6.036 -2.001 3.290 1.00 0.00 C ATOM 509 O ALA A 835 6.107 -2.648 2.245 1.00 0.00 O ATOM 510 CB ALA A 835 5.245 0.365 3.109 1.00 0.00 C ATOM 0 H ALA A 835 4.352 -0.134 5.353 1.00 0.00 H new ATOM 0 HA ALA A 835 4.025 -1.384 2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 835 5.540 0.360 2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 835 4.387 1.024 3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 835 6.075 0.724 3.718 1.00 0.00 H new ATOM 516 N ILE A 836 6.945 -2.083 4.255 1.00 0.00 N ATOM 517 CA ILE A 836 8.105 -2.959 4.139 1.00 0.00 C ATOM 518 C ILE A 836 7.704 -4.423 4.287 1.00 0.00 C ATOM 519 O ILE A 836 7.823 -5.208 3.346 1.00 0.00 O ATOM 520 CB ILE A 836 9.173 -2.622 5.197 1.00 0.00 C ATOM 521 CG1 ILE A 836 9.630 -1.170 5.046 1.00 0.00 C ATOM 522 CG2 ILE A 836 10.356 -3.571 5.076 1.00 0.00 C ATOM 523 CD1 ILE A 836 10.297 -0.615 6.285 1.00 0.00 C ATOM 0 H ILE A 836 6.901 -1.554 5.126 1.00 0.00 H new ATOM 0 HA ILE A 836 8.525 -2.797 3.146 1.00 0.00 H new ATOM 0 HB ILE A 836 8.734 -2.744 6.187 1.00 0.00 H new ATOM 0 HG12 ILE A 836 10.324 -1.101 4.208 1.00 0.00 H new ATOM 0 HG13 ILE A 836 8.768 -0.550 4.798 1.00 0.00 H new ATOM 0 HG21 ILE A 836 11.102 -3.320 5.830 1.00 0.00 H new ATOM 0 HG22 ILE A 836 10.017 -4.596 5.227 1.00 0.00 H new ATOM 0 HG23 ILE A 836 10.797 -3.478 4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 836 10.595 0.418 6.106 1.00 0.00 H new ATOM 0 HD12 ILE A 836 9.599 -0.652 7.121 1.00 0.00 H new ATOM 0 HD13 ILE A 836 11.178 -1.211 6.522 1.00 0.00 H new ATOM 535 N VAL A 837 7.226 -4.784 5.473 1.00 0.00 N ATOM 536 CA VAL A 837 6.804 -6.153 5.744 1.00 0.00 C ATOM 537 C VAL A 837 5.938 -6.695 4.612 1.00 0.00 C ATOM 538 O VAL A 837 5.890 -7.902 4.377 1.00 0.00 O ATOM 539 CB VAL A 837 6.021 -6.249 7.066 1.00 0.00 C ATOM 540 CG1 VAL A 837 5.520 -7.667 7.289 1.00 0.00 C ATOM 541 CG2 VAL A 837 6.886 -5.790 8.231 1.00 0.00 C ATOM 0 H VAL A 837 7.121 -4.147 6.263 1.00 0.00 H new ATOM 0 HA VAL A 837 7.710 -6.753 5.824 1.00 0.00 H new ATOM 0 HB VAL A 837 5.155 -5.590 7.004 1.00 0.00 H new ATOM 0 HG11 VAL A 837 4.969 -7.715 8.228 1.00 0.00 H new ATOM 0 HG12 VAL A 837 4.863 -7.954 6.468 1.00 0.00 H new ATOM 0 HG13 VAL A 837 6.368 -8.350 7.331 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.317 -5.864 9.158 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.772 -6.422 8.297 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.189 -4.755 8.073 1.00 0.00 H new ATOM 551 N ARG A 838 5.254 -5.794 3.915 1.00 0.00 N ATOM 552 CA ARG A 838 4.388 -6.181 2.808 1.00 0.00 C ATOM 553 C ARG A 838 5.200 -6.414 1.537 1.00 0.00 C ATOM 554 O ARG A 838 5.101 -7.469 0.910 1.00 0.00 O ATOM 555 CB ARG A 838 3.330 -5.104 2.559 1.00 0.00 C ATOM 556 CG ARG A 838 2.217 -5.093 3.594 1.00 0.00 C ATOM 557 CD ARG A 838 0.995 -4.341 3.091 1.00 0.00 C ATOM 558 NE ARG A 838 0.344 -5.034 1.983 1.00 0.00 N ATOM 559 CZ ARG A 838 -0.606 -4.489 1.232 1.00 0.00 C ATOM 560 NH1 ARG A 838 -1.014 -3.250 1.468 1.00 0.00 N ATOM 561 NH2 ARG A 838 -1.151 -5.184 0.241 1.00 0.00 N ATOM 0 H ARG A 838 5.283 -4.791 4.097 1.00 0.00 H new ATOM 0 HA ARG A 838 3.892 -7.113 3.078 1.00 0.00 H new ATOM 0 HB2 ARG A 838 3.814 -4.127 2.548 1.00 0.00 H new ATOM 0 HB3 ARG A 838 2.895 -5.256 1.571 1.00 0.00 H new ATOM 0 HG2 ARG A 838 1.939 -6.117 3.841 1.00 0.00 H new ATOM 0 HG3 ARG A 838 2.578 -4.630 4.513 1.00 0.00 H new ATOM 0 HD2 ARG A 838 0.284 -4.216 3.908 1.00 0.00 H new ATOM 0 HD3 ARG A 838 1.291 -3.342 2.770 1.00 0.00 H new ATOM 0 HE ARG A 838 0.635 -5.989 1.774 1.00 0.00 H new ATOM 0 HH11 ARG A 838 -0.598 -2.712 2.228 1.00 0.00 H new ATOM 0 HH12 ARG A 838 -1.744 -2.834 0.889 1.00 0.00 H new ATOM 0 HH21 ARG A 838 -0.840 -6.138 0.056 1.00 0.00 H new ATOM 0 HH22 ARG A 838 -1.881 -4.764 -0.335 1.00 0.00 H new ATOM 575 N ILE A 839 6.003 -5.423 1.165 1.00 0.00 N ATOM 576 CA ILE A 839 6.833 -5.520 -0.030 1.00 0.00 C ATOM 577 C ILE A 839 7.772 -6.719 0.049 1.00 0.00 C ATOM 578 O ILE A 839 7.860 -7.514 -0.886 1.00 0.00 O ATOM 579 CB ILE A 839 7.666 -4.243 -0.243 1.00 0.00 C ATOM 580 CG1 ILE A 839 6.747 -3.035 -0.439 1.00 0.00 C ATOM 581 CG2 ILE A 839 8.595 -4.409 -1.436 1.00 0.00 C ATOM 582 CD1 ILE A 839 7.364 -1.728 0.007 1.00 0.00 C ATOM 0 H ILE A 839 6.097 -4.544 1.674 1.00 0.00 H new ATOM 0 HA ILE A 839 6.156 -5.647 -0.875 1.00 0.00 H new ATOM 0 HB ILE A 839 8.275 -4.072 0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 839 6.479 -2.960 -1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 839 5.822 -3.199 0.114 1.00 0.00 H new ATOM 0 HG21 ILE A 839 9.177 -3.498 -1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 839 9.269 -5.247 -1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 839 8.005 -4.602 -2.332 1.00 0.00 H new ATOM 0 HD11 ILE A 839 6.657 -0.916 -0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 839 7.607 -1.784 1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 839 8.273 -1.541 -0.564 1.00 0.00 H new ATOM 594 N MET A 840 8.470 -6.843 1.173 1.00 0.00 N ATOM 595 CA MET A 840 9.401 -7.948 1.376 1.00 0.00 C ATOM 596 C MET A 840 8.688 -9.290 1.244 1.00 0.00 C ATOM 597 O MET A 840 9.243 -10.249 0.706 1.00 0.00 O ATOM 598 CB MET A 840 10.060 -7.841 2.752 1.00 0.00 C ATOM 599 CG MET A 840 10.824 -6.543 2.961 1.00 0.00 C ATOM 600 SD MET A 840 12.516 -6.626 2.344 1.00 0.00 S ATOM 601 CE MET A 840 13.440 -6.338 3.852 1.00 0.00 C ATOM 0 H MET A 840 8.409 -6.193 1.957 1.00 0.00 H new ATOM 0 HA MET A 840 10.171 -7.888 0.607 1.00 0.00 H new ATOM 0 HB2 MET A 840 9.293 -7.929 3.521 1.00 0.00 H new ATOM 0 HB3 MET A 840 10.743 -8.680 2.885 1.00 0.00 H new ATOM 0 HG2 MET A 840 10.298 -5.731 2.459 1.00 0.00 H new ATOM 0 HG3 MET A 840 10.840 -6.303 4.024 1.00 0.00 H new ATOM 0 HE1 MET A 840 14.356 -5.796 3.619 1.00 0.00 H new ATOM 0 HE2 MET A 840 12.836 -5.750 4.542 1.00 0.00 H new ATOM 0 HE3 MET A 840 13.691 -7.293 4.313 1.00 0.00 H new ATOM 611 N LYS A 841 7.457 -9.353 1.738 1.00 0.00 N ATOM 612 CA LYS A 841 6.668 -10.577 1.674 1.00 0.00 C ATOM 613 C LYS A 841 6.399 -10.977 0.227 1.00 0.00 C ATOM 614 O LYS A 841 6.795 -12.056 -0.211 1.00 0.00 O ATOM 615 CB LYS A 841 5.342 -10.393 2.418 1.00 0.00 C ATOM 616 CG LYS A 841 4.433 -11.608 2.349 1.00 0.00 C ATOM 617 CD LYS A 841 3.108 -11.352 3.048 1.00 0.00 C ATOM 618 CE LYS A 841 2.111 -10.674 2.122 1.00 0.00 C ATOM 619 NZ LYS A 841 1.674 -11.576 1.020 1.00 0.00 N ATOM 0 H LYS A 841 6.983 -8.570 2.188 1.00 0.00 H new ATOM 0 HA LYS A 841 7.239 -11.373 2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 841 5.550 -10.164 3.463 1.00 0.00 H new ATOM 0 HB3 LYS A 841 4.818 -9.533 2.002 1.00 0.00 H new ATOM 0 HG2 LYS A 841 4.251 -11.869 1.306 1.00 0.00 H new ATOM 0 HG3 LYS A 841 4.930 -12.462 2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 841 2.694 -12.296 3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 841 3.273 -10.728 3.926 1.00 0.00 H new ATOM 0 HE2 LYS A 841 1.241 -10.355 2.696 1.00 0.00 H new ATOM 0 HE3 LYS A 841 2.561 -9.776 1.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 0.760 -11.249 0.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 2.384 -11.564 0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 1.573 -12.545 1.384 1.00 0.00 H new ATOM 633 N MET A 842 5.726 -10.099 -0.510 1.00 0.00 N ATOM 634 CA MET A 842 5.408 -10.361 -1.909 1.00 0.00 C ATOM 635 C MET A 842 6.650 -10.807 -2.674 1.00 0.00 C ATOM 636 O MET A 842 6.569 -11.646 -3.571 1.00 0.00 O ATOM 637 CB MET A 842 4.814 -9.112 -2.561 1.00 0.00 C ATOM 638 CG MET A 842 3.520 -8.644 -1.913 1.00 0.00 C ATOM 639 SD MET A 842 2.084 -9.575 -2.479 1.00 0.00 S ATOM 640 CE MET A 842 1.231 -8.328 -3.442 1.00 0.00 C ATOM 0 H MET A 842 5.391 -9.201 -0.162 1.00 0.00 H new ATOM 0 HA MET A 842 4.673 -11.165 -1.945 1.00 0.00 H new ATOM 0 HB2 MET A 842 5.546 -8.306 -2.515 1.00 0.00 H new ATOM 0 HB3 MET A 842 4.629 -9.316 -3.616 1.00 0.00 H new ATOM 0 HG2 MET A 842 3.606 -8.738 -0.830 1.00 0.00 H new ATOM 0 HG3 MET A 842 3.371 -7.586 -2.130 1.00 0.00 H new ATOM 0 HE1 MET A 842 0.318 -8.752 -3.860 1.00 0.00 H new ATOM 0 HE2 MET A 842 0.978 -7.483 -2.801 1.00 0.00 H new ATOM 0 HE3 MET A 842 1.877 -7.988 -4.252 1.00 0.00 H new ATOM 650 N ARG A 843 7.797 -10.239 -2.315 1.00 0.00 N ATOM 651 CA ARG A 843 9.055 -10.578 -2.969 1.00 0.00 C ATOM 652 C ARG A 843 9.874 -11.537 -2.111 1.00 0.00 C ATOM 653 O ARG A 843 10.507 -11.129 -1.137 1.00 0.00 O ATOM 654 CB ARG A 843 9.864 -9.311 -3.251 1.00 0.00 C ATOM 655 CG ARG A 843 9.106 -8.270 -4.060 1.00 0.00 C ATOM 656 CD ARG A 843 9.037 -8.650 -5.530 1.00 0.00 C ATOM 657 NE ARG A 843 10.288 -8.364 -6.228 1.00 0.00 N ATOM 658 CZ ARG A 843 10.409 -8.369 -7.551 1.00 0.00 C ATOM 659 NH1 ARG A 843 9.361 -8.644 -8.315 1.00 0.00 N ATOM 660 NH2 ARG A 843 11.581 -8.099 -8.112 1.00 0.00 N ATOM 0 H ARG A 843 7.881 -9.542 -1.575 1.00 0.00 H new ATOM 0 HA ARG A 843 8.823 -11.071 -3.913 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.172 -8.869 -2.304 1.00 0.00 H new ATOM 0 HB3 ARG A 843 10.774 -9.583 -3.786 1.00 0.00 H new ATOM 0 HG2 ARG A 843 8.097 -8.163 -3.663 1.00 0.00 H new ATOM 0 HG3 ARG A 843 9.594 -7.301 -3.956 1.00 0.00 H new ATOM 0 HD2 ARG A 843 8.806 -9.712 -5.620 1.00 0.00 H new ATOM 0 HD3 ARG A 843 8.223 -8.105 -6.008 1.00 0.00 H new ATOM 0 HE ARG A 843 11.114 -8.149 -5.669 1.00 0.00 H new ATOM 0 HH11 ARG A 843 8.459 -8.852 -7.887 1.00 0.00 H new ATOM 0 HH12 ARG A 843 9.457 -8.647 -9.330 1.00 0.00 H new ATOM 0 HH21 ARG A 843 12.390 -7.887 -7.527 1.00 0.00 H new ATOM 0 HH22 ARG A 843 11.673 -8.103 -9.128 1.00 0.00 H new ATOM 674 N LYS A 844 9.856 -12.814 -2.478 1.00 0.00 N ATOM 675 CA LYS A 844 10.597 -13.832 -1.743 1.00 0.00 C ATOM 676 C LYS A 844 11.959 -13.304 -1.306 1.00 0.00 C ATOM 677 O LYS A 844 12.472 -13.678 -0.250 1.00 0.00 O ATOM 678 CB LYS A 844 10.775 -15.084 -2.605 1.00 0.00 C ATOM 679 CG LYS A 844 9.464 -15.714 -3.041 1.00 0.00 C ATOM 680 CD LYS A 844 8.883 -16.602 -1.953 1.00 0.00 C ATOM 681 CE LYS A 844 7.388 -16.808 -2.141 1.00 0.00 C ATOM 682 NZ LYS A 844 6.611 -15.591 -1.777 1.00 0.00 N ATOM 0 H LYS A 844 9.336 -13.169 -3.281 1.00 0.00 H new ATOM 0 HA LYS A 844 10.025 -14.090 -0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 844 11.356 -14.826 -3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 844 11.354 -15.820 -2.047 1.00 0.00 H new ATOM 0 HG2 LYS A 844 8.749 -14.931 -3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 844 9.625 -16.302 -3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 844 9.388 -17.568 -1.962 1.00 0.00 H new ATOM 0 HD3 LYS A 844 9.070 -16.153 -0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 844 7.185 -17.071 -3.179 1.00 0.00 H new ATOM 0 HE3 LYS A 844 7.057 -17.647 -1.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 844 5.604 -15.836 -1.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 844 6.957 -15.216 -0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 844 6.728 -14.870 -2.517 1.00 0.00 H new ATOM 696 N THR A 845 12.541 -12.431 -2.122 1.00 0.00 N ATOM 697 CA THR A 845 13.844 -11.852 -1.820 1.00 0.00 C ATOM 698 C THR A 845 13.990 -10.471 -2.448 1.00 0.00 C ATOM 699 O THR A 845 13.710 -10.283 -3.632 1.00 0.00 O ATOM 700 CB THR A 845 14.989 -12.754 -2.317 1.00 0.00 C ATOM 701 OG1 THR A 845 14.834 -14.077 -1.792 1.00 0.00 O ATOM 702 CG2 THR A 845 16.340 -12.192 -1.901 1.00 0.00 C ATOM 0 H THR A 845 12.130 -12.109 -2.998 1.00 0.00 H new ATOM 0 HA THR A 845 13.907 -11.764 -0.735 1.00 0.00 H new ATOM 0 HB THR A 845 14.948 -12.789 -3.406 1.00 0.00 H new ATOM 0 HG1 THR A 845 15.565 -14.644 -2.114 1.00 0.00 H new ATOM 0 HG21 THR A 845 17.133 -12.846 -2.263 1.00 0.00 H new ATOM 0 HG22 THR A 845 16.467 -11.197 -2.327 1.00 0.00 H new ATOM 0 HG23 THR A 845 16.389 -12.130 -0.814 1.00 0.00 H new ATOM 710 N LEU A 846 14.432 -9.506 -1.648 1.00 0.00 N ATOM 711 CA LEU A 846 14.617 -8.141 -2.126 1.00 0.00 C ATOM 712 C LEU A 846 15.842 -7.500 -1.482 1.00 0.00 C ATOM 713 O LEU A 846 16.301 -7.937 -0.427 1.00 0.00 O ATOM 714 CB LEU A 846 13.373 -7.302 -1.828 1.00 0.00 C ATOM 715 CG LEU A 846 13.109 -6.133 -2.777 1.00 0.00 C ATOM 716 CD1 LEU A 846 12.656 -6.640 -4.137 1.00 0.00 C ATOM 717 CD2 LEU A 846 12.072 -5.189 -2.186 1.00 0.00 C ATOM 0 H LEU A 846 14.669 -9.644 -0.666 1.00 0.00 H new ATOM 0 HA LEU A 846 14.773 -8.178 -3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 846 12.504 -7.959 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 846 13.458 -6.909 -0.815 1.00 0.00 H new ATOM 0 HG LEU A 846 14.040 -5.582 -2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 846 12.473 -5.793 -4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 846 13.432 -7.274 -4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 846 11.738 -7.216 -4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 846 11.897 -4.363 -2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 846 11.139 -5.729 -2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 846 12.436 -4.798 -1.236 1.00 0.00 H new ATOM 729 N SER A 847 16.365 -6.459 -2.122 1.00 0.00 N ATOM 730 CA SER A 847 17.538 -5.758 -1.613 1.00 0.00 C ATOM 731 C SER A 847 17.159 -4.378 -1.084 1.00 0.00 C ATOM 732 O SER A 847 15.996 -3.976 -1.142 1.00 0.00 O ATOM 733 CB SER A 847 18.595 -5.624 -2.711 1.00 0.00 C ATOM 734 OG SER A 847 19.244 -6.861 -2.948 1.00 0.00 O ATOM 0 H SER A 847 15.995 -6.082 -2.995 1.00 0.00 H new ATOM 0 HA SER A 847 17.951 -6.342 -0.791 1.00 0.00 H new ATOM 0 HB2 SER A 847 18.126 -5.274 -3.631 1.00 0.00 H new ATOM 0 HB3 SER A 847 19.331 -4.873 -2.422 1.00 0.00 H new ATOM 0 HG SER A 847 19.914 -6.749 -3.655 1.00 0.00 H new ATOM 740 N HIS A 848 18.149 -3.656 -0.569 1.00 0.00 N ATOM 741 CA HIS A 848 17.921 -2.320 -0.030 1.00 0.00 C ATOM 742 C HIS A 848 17.345 -1.395 -1.098 1.00 0.00 C ATOM 743 O HIS A 848 16.272 -0.820 -0.922 1.00 0.00 O ATOM 744 CB HIS A 848 19.224 -1.738 0.517 1.00 0.00 C ATOM 745 CG HIS A 848 19.049 -0.422 1.209 1.00 0.00 C ATOM 746 ND1 HIS A 848 19.340 -0.228 2.543 1.00 0.00 N ATOM 747 CD2 HIS A 848 18.611 0.772 0.744 1.00 0.00 C ATOM 748 CE1 HIS A 848 19.087 1.027 2.869 1.00 0.00 C ATOM 749 NE2 HIS A 848 18.644 1.655 1.795 1.00 0.00 N ATOM 0 H HIS A 848 19.117 -3.974 -0.514 1.00 0.00 H new ATOM 0 HA HIS A 848 17.200 -2.401 0.783 1.00 0.00 H new ATOM 0 HB2 HIS A 848 19.665 -2.450 1.214 1.00 0.00 H new ATOM 0 HB3 HIS A 848 19.931 -1.616 -0.304 1.00 0.00 H new ATOM 0 HD1 HIS A 848 19.695 -0.942 3.179 1.00 0.00 H new ATOM 0 HD2 HIS A 848 18.295 0.989 -0.266 1.00 0.00 H new ATOM 0 HE1 HIS A 848 19.220 1.465 3.847 1.00 0.00 H new ATOM 757 N ASN A 849 18.068 -1.255 -2.205 1.00 0.00 N ATOM 758 CA ASN A 849 17.629 -0.398 -3.300 1.00 0.00 C ATOM 759 C ASN A 849 16.150 -0.616 -3.603 1.00 0.00 C ATOM 760 O ASN A 849 15.332 0.292 -3.444 1.00 0.00 O ATOM 761 CB ASN A 849 18.463 -0.670 -4.554 1.00 0.00 C ATOM 762 CG ASN A 849 18.344 0.439 -5.581 1.00 0.00 C ATOM 763 OD1 ASN A 849 18.366 1.622 -5.238 1.00 0.00 O ATOM 764 ND2 ASN A 849 18.215 0.062 -6.847 1.00 0.00 N ATOM 0 H ASN A 849 18.959 -1.724 -2.367 1.00 0.00 H new ATOM 0 HA ASN A 849 17.770 0.639 -2.995 1.00 0.00 H new ATOM 0 HB2 ASN A 849 19.509 -0.789 -4.272 1.00 0.00 H new ATOM 0 HB3 ASN A 849 18.144 -1.611 -5.002 1.00 0.00 H new ATOM 0 HD21 ASN A 849 18.129 0.764 -7.582 1.00 0.00 H new ATOM 0 HD22 ASN A 849 18.202 -0.930 -7.085 1.00 0.00 H new ATOM 771 N LEU A 850 15.813 -1.824 -4.039 1.00 0.00 N ATOM 772 CA LEU A 850 14.431 -2.163 -4.364 1.00 0.00 C ATOM 773 C LEU A 850 13.526 -1.980 -3.150 1.00 0.00 C ATOM 774 O LEU A 850 12.410 -1.473 -3.265 1.00 0.00 O ATOM 775 CB LEU A 850 14.344 -3.605 -4.867 1.00 0.00 C ATOM 776 CG LEU A 850 14.862 -3.854 -6.284 1.00 0.00 C ATOM 777 CD1 LEU A 850 13.778 -3.559 -7.309 1.00 0.00 C ATOM 778 CD2 LEU A 850 16.099 -3.010 -6.555 1.00 0.00 C ATOM 0 H LEU A 850 16.477 -2.586 -4.176 1.00 0.00 H new ATOM 0 HA LEU A 850 14.093 -1.489 -5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 850 14.902 -4.242 -4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 850 13.302 -3.922 -4.822 1.00 0.00 H new ATOM 0 HG LEU A 850 15.137 -4.905 -6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 850 14.165 -3.742 -8.311 1.00 0.00 H new ATOM 0 HD12 LEU A 850 12.920 -4.206 -7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 850 13.470 -2.517 -7.224 1.00 0.00 H new ATOM 0 HD21 LEU A 850 16.454 -3.200 -7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 850 15.849 -1.954 -6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 850 16.881 -3.271 -5.842 1.00 0.00 H new ATOM 790 N LEU A 851 14.015 -2.394 -1.986 1.00 0.00 N ATOM 791 CA LEU A 851 13.252 -2.274 -0.749 1.00 0.00 C ATOM 792 C LEU A 851 12.737 -0.850 -0.563 1.00 0.00 C ATOM 793 O LEU A 851 11.537 -0.594 -0.669 1.00 0.00 O ATOM 794 CB LEU A 851 14.115 -2.676 0.448 1.00 0.00 C ATOM 795 CG LEU A 851 13.575 -2.291 1.825 1.00 0.00 C ATOM 796 CD1 LEU A 851 12.123 -2.721 1.968 1.00 0.00 C ATOM 797 CD2 LEU A 851 14.427 -2.909 2.924 1.00 0.00 C ATOM 0 H LEU A 851 14.937 -2.816 -1.873 1.00 0.00 H new ATOM 0 HA LEU A 851 12.396 -2.946 -0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 851 14.254 -3.757 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 851 15.100 -2.226 0.327 1.00 0.00 H new ATOM 0 HG LEU A 851 13.623 -1.206 1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 851 11.755 -2.439 2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 851 11.521 -2.231 1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 851 12.050 -3.802 1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 851 14.028 -2.624 3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 851 14.412 -3.995 2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 851 15.453 -2.551 2.834 1.00 0.00 H new ATOM 809 N VAL A 852 13.652 0.074 -0.288 1.00 0.00 N ATOM 810 CA VAL A 852 13.291 1.472 -0.090 1.00 0.00 C ATOM 811 C VAL A 852 12.465 1.997 -1.259 1.00 0.00 C ATOM 812 O VAL A 852 11.474 2.702 -1.065 1.00 0.00 O ATOM 813 CB VAL A 852 14.542 2.356 0.077 1.00 0.00 C ATOM 814 CG1 VAL A 852 15.388 1.869 1.244 1.00 0.00 C ATOM 815 CG2 VAL A 852 15.354 2.379 -1.209 1.00 0.00 C ATOM 0 H VAL A 852 14.649 -0.121 -0.197 1.00 0.00 H new ATOM 0 HA VAL A 852 12.696 1.519 0.822 1.00 0.00 H new ATOM 0 HB VAL A 852 14.220 3.375 0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 852 16.267 2.505 1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 852 14.801 1.911 2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 852 15.703 0.842 1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 852 16.234 3.008 -1.073 1.00 0.00 H new ATOM 0 HG22 VAL A 852 15.668 1.366 -1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 852 14.743 2.780 -2.018 1.00 0.00 H new ATOM 825 N SER A 853 12.878 1.647 -2.473 1.00 0.00 N ATOM 826 CA SER A 853 12.177 2.086 -3.675 1.00 0.00 C ATOM 827 C SER A 853 10.682 1.802 -3.566 1.00 0.00 C ATOM 828 O SER A 853 9.862 2.717 -3.607 1.00 0.00 O ATOM 829 CB SER A 853 12.752 1.388 -4.909 1.00 0.00 C ATOM 830 OG SER A 853 11.857 1.469 -6.004 1.00 0.00 O ATOM 0 H SER A 853 13.694 1.061 -2.651 1.00 0.00 H new ATOM 0 HA SER A 853 12.318 3.162 -3.776 1.00 0.00 H new ATOM 0 HB2 SER A 853 13.704 1.845 -5.179 1.00 0.00 H new ATOM 0 HB3 SER A 853 12.955 0.342 -4.678 1.00 0.00 H new ATOM 0 HG SER A 853 12.248 1.017 -6.780 1.00 0.00 H new ATOM 836 N GLU A 854 10.338 0.525 -3.427 1.00 0.00 N ATOM 837 CA GLU A 854 8.941 0.120 -3.313 1.00 0.00 C ATOM 838 C GLU A 854 8.249 0.868 -2.177 1.00 0.00 C ATOM 839 O GLU A 854 7.194 1.472 -2.370 1.00 0.00 O ATOM 840 CB GLU A 854 8.843 -1.389 -3.079 1.00 0.00 C ATOM 841 CG GLU A 854 9.162 -2.218 -4.312 1.00 0.00 C ATOM 842 CD GLU A 854 8.324 -1.823 -5.513 1.00 0.00 C ATOM 843 OE1 GLU A 854 7.082 -1.915 -5.427 1.00 0.00 O ATOM 844 OE2 GLU A 854 8.912 -1.422 -6.539 1.00 0.00 O ATOM 0 H GLU A 854 11.006 -0.245 -3.391 1.00 0.00 H new ATOM 0 HA GLU A 854 8.439 0.369 -4.248 1.00 0.00 H new ATOM 0 HB2 GLU A 854 9.526 -1.669 -2.277 1.00 0.00 H new ATOM 0 HB3 GLU A 854 7.836 -1.631 -2.739 1.00 0.00 H new ATOM 0 HG2 GLU A 854 10.218 -2.106 -4.558 1.00 0.00 H new ATOM 0 HG3 GLU A 854 8.997 -3.272 -4.089 1.00 0.00 H new ATOM 851 N VAL A 855 8.850 0.822 -0.993 1.00 0.00 N ATOM 852 CA VAL A 855 8.292 1.495 0.175 1.00 0.00 C ATOM 853 C VAL A 855 7.897 2.930 -0.155 1.00 0.00 C ATOM 854 O VAL A 855 6.747 3.327 0.034 1.00 0.00 O ATOM 855 CB VAL A 855 9.291 1.506 1.347 1.00 0.00 C ATOM 856 CG1 VAL A 855 8.854 2.499 2.412 1.00 0.00 C ATOM 857 CG2 VAL A 855 9.437 0.111 1.935 1.00 0.00 C ATOM 0 H VAL A 855 9.724 0.326 -0.816 1.00 0.00 H new ATOM 0 HA VAL A 855 7.404 0.935 0.469 1.00 0.00 H new ATOM 0 HB VAL A 855 10.264 1.820 0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 855 9.572 2.493 3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 855 8.806 3.498 1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 855 7.870 2.219 2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 855 10.147 0.137 2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 855 8.469 -0.234 2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 855 9.800 -0.572 1.167 1.00 0.00 H new ATOM 867 N TYR A 856 8.857 3.703 -0.650 1.00 0.00 N ATOM 868 CA TYR A 856 8.609 5.096 -1.005 1.00 0.00 C ATOM 869 C TYR A 856 7.389 5.218 -1.912 1.00 0.00 C ATOM 870 O TYR A 856 6.531 6.075 -1.704 1.00 0.00 O ATOM 871 CB TYR A 856 9.836 5.693 -1.697 1.00 0.00 C ATOM 872 CG TYR A 856 10.935 6.095 -0.740 1.00 0.00 C ATOM 873 CD1 TYR A 856 10.671 6.921 0.345 1.00 0.00 C ATOM 874 CD2 TYR A 856 12.238 5.648 -0.922 1.00 0.00 C ATOM 875 CE1 TYR A 856 11.673 7.292 1.221 1.00 0.00 C ATOM 876 CE2 TYR A 856 13.246 6.012 -0.050 1.00 0.00 C ATOM 877 CZ TYR A 856 12.959 6.835 1.020 1.00 0.00 C ATOM 878 OH TYR A 856 13.959 7.200 1.891 1.00 0.00 O ATOM 0 H TYR A 856 9.814 3.389 -0.815 1.00 0.00 H new ATOM 0 HA TYR A 856 8.412 5.650 -0.087 1.00 0.00 H new ATOM 0 HB2 TYR A 856 10.232 4.967 -2.407 1.00 0.00 H new ATOM 0 HB3 TYR A 856 9.529 6.566 -2.272 1.00 0.00 H new ATOM 0 HD1 TYR A 856 9.665 7.279 0.507 1.00 0.00 H new ATOM 0 HD2 TYR A 856 12.467 5.005 -1.759 1.00 0.00 H new ATOM 0 HE1 TYR A 856 11.451 7.936 2.059 1.00 0.00 H new ATOM 0 HE2 TYR A 856 14.253 5.654 -0.205 1.00 0.00 H new ATOM 0 HH TYR A 856 14.804 6.792 1.608 1.00 0.00 H new ATOM 888 N ASN A 857 7.320 4.354 -2.919 1.00 0.00 N ATOM 889 CA ASN A 857 6.205 4.364 -3.860 1.00 0.00 C ATOM 890 C ASN A 857 4.876 4.201 -3.129 1.00 0.00 C ATOM 891 O ASN A 857 3.861 4.768 -3.534 1.00 0.00 O ATOM 892 CB ASN A 857 6.372 3.248 -4.893 1.00 0.00 C ATOM 893 CG ASN A 857 5.292 3.278 -5.957 1.00 0.00 C ATOM 894 OD1 ASN A 857 5.285 4.151 -6.825 1.00 0.00 O ATOM 895 ND2 ASN A 857 4.371 2.323 -5.893 1.00 0.00 N ATOM 0 H ASN A 857 8.022 3.638 -3.105 1.00 0.00 H new ATOM 0 HA ASN A 857 6.203 5.326 -4.372 1.00 0.00 H new ATOM 0 HB2 ASN A 857 7.349 3.340 -5.368 1.00 0.00 H new ATOM 0 HB3 ASN A 857 6.353 2.283 -4.387 1.00 0.00 H new ATOM 0 HD21 ASN A 857 3.619 2.293 -6.581 1.00 0.00 H new ATOM 0 HD22 ASN A 857 4.416 1.619 -5.156 1.00 0.00 H new ATOM 902 N GLN A 858 4.890 3.424 -2.051 1.00 0.00 N ATOM 903 CA GLN A 858 3.686 3.187 -1.264 1.00 0.00 C ATOM 904 C GLN A 858 3.331 4.413 -0.429 1.00 0.00 C ATOM 905 O GLN A 858 2.157 4.688 -0.178 1.00 0.00 O ATOM 906 CB GLN A 858 3.876 1.972 -0.354 1.00 0.00 C ATOM 907 CG GLN A 858 4.103 0.674 -1.112 1.00 0.00 C ATOM 908 CD GLN A 858 3.106 0.472 -2.236 1.00 0.00 C ATOM 909 OE1 GLN A 858 3.162 1.151 -3.261 1.00 0.00 O ATOM 910 NE2 GLN A 858 2.184 -0.466 -2.048 1.00 0.00 N ATOM 0 H GLN A 858 5.722 2.948 -1.703 1.00 0.00 H new ATOM 0 HA GLN A 858 2.865 2.990 -1.953 1.00 0.00 H new ATOM 0 HB2 GLN A 858 4.725 2.151 0.305 1.00 0.00 H new ATOM 0 HB3 GLN A 858 2.997 1.863 0.281 1.00 0.00 H new ATOM 0 HG2 GLN A 858 5.113 0.669 -1.522 1.00 0.00 H new ATOM 0 HG3 GLN A 858 4.037 -0.164 -0.418 1.00 0.00 H new ATOM 0 HE21 GLN A 858 2.175 -1.006 -1.182 1.00 0.00 H new ATOM 0 HE22 GLN A 858 1.486 -0.647 -2.769 1.00 0.00 H new ATOM 919 N LEU A 859 4.353 5.145 0.000 1.00 0.00 N ATOM 920 CA LEU A 859 4.150 6.342 0.809 1.00 0.00 C ATOM 921 C LEU A 859 4.183 7.597 -0.058 1.00 0.00 C ATOM 922 O LEU A 859 5.181 7.882 -0.720 1.00 0.00 O ATOM 923 CB LEU A 859 5.220 6.433 1.898 1.00 0.00 C ATOM 924 CG LEU A 859 5.592 5.119 2.585 1.00 0.00 C ATOM 925 CD1 LEU A 859 6.318 5.387 3.894 1.00 0.00 C ATOM 926 CD2 LEU A 859 4.351 4.272 2.825 1.00 0.00 C ATOM 0 H LEU A 859 5.330 4.931 -0.199 1.00 0.00 H new ATOM 0 HA LEU A 859 3.168 6.272 1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 859 6.122 6.858 1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.876 7.133 2.659 1.00 0.00 H new ATOM 0 HG LEU A 859 6.263 4.566 1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 859 6.575 4.440 4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 859 7.229 5.952 3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 859 5.672 5.962 4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 859 4.635 3.341 3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 859 3.655 4.819 3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.873 4.049 1.871 1.00 0.00 H new ATOM 938 N LYS A 860 3.085 8.346 -0.048 1.00 0.00 N ATOM 939 CA LYS A 860 2.988 9.572 -0.830 1.00 0.00 C ATOM 940 C LYS A 860 3.725 10.716 -0.141 1.00 0.00 C ATOM 941 O LYS A 860 3.793 11.829 -0.665 1.00 0.00 O ATOM 942 CB LYS A 860 1.520 9.952 -1.041 1.00 0.00 C ATOM 943 CG LYS A 860 0.905 9.332 -2.284 1.00 0.00 C ATOM 944 CD LYS A 860 1.107 10.213 -3.505 1.00 0.00 C ATOM 945 CE LYS A 860 2.492 10.026 -4.105 1.00 0.00 C ATOM 946 NZ LYS A 860 2.553 10.494 -5.517 1.00 0.00 N ATOM 0 H LYS A 860 2.250 8.125 0.494 1.00 0.00 H new ATOM 0 HA LYS A 860 3.454 9.393 -1.799 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.944 9.644 -0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 860 1.440 11.037 -1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 860 1.351 8.354 -2.462 1.00 0.00 H new ATOM 0 HG3 LYS A 860 -0.161 9.172 -2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 860 0.350 9.978 -4.254 1.00 0.00 H new ATOM 0 HD3 LYS A 860 0.968 11.258 -3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 860 3.223 10.573 -3.509 1.00 0.00 H new ATOM 0 HE3 LYS A 860 2.768 8.973 -4.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 3.513 10.349 -5.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 1.874 9.955 -6.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 2.314 11.505 -5.558 1.00 0.00 H new ATOM 960 N PHE A 861 4.277 10.436 1.035 1.00 0.00 N ATOM 961 CA PHE A 861 5.010 11.442 1.794 1.00 0.00 C ATOM 962 C PHE A 861 6.466 11.025 1.986 1.00 0.00 C ATOM 963 O PHE A 861 6.794 9.840 2.061 1.00 0.00 O ATOM 964 CB PHE A 861 4.349 11.665 3.156 1.00 0.00 C ATOM 965 CG PHE A 861 4.335 10.440 4.024 1.00 0.00 C ATOM 966 CD1 PHE A 861 5.414 10.141 4.841 1.00 0.00 C ATOM 967 CD2 PHE A 861 3.244 9.586 4.023 1.00 0.00 C ATOM 968 CE1 PHE A 861 5.405 9.015 5.642 1.00 0.00 C ATOM 969 CE2 PHE A 861 3.229 8.458 4.822 1.00 0.00 C ATOM 970 CZ PHE A 861 4.311 8.172 5.631 1.00 0.00 C ATOM 0 H PHE A 861 4.231 9.521 1.483 1.00 0.00 H new ATOM 0 HA PHE A 861 4.988 12.374 1.229 1.00 0.00 H new ATOM 0 HB2 PHE A 861 4.874 12.465 3.679 1.00 0.00 H new ATOM 0 HB3 PHE A 861 3.324 12.003 3.002 1.00 0.00 H new ATOM 0 HD1 PHE A 861 6.272 10.796 4.852 1.00 0.00 H new ATOM 0 HD2 PHE A 861 2.396 9.804 3.391 1.00 0.00 H new ATOM 0 HE1 PHE A 861 6.252 8.795 6.275 1.00 0.00 H new ATOM 0 HE2 PHE A 861 2.372 7.801 4.814 1.00 0.00 H new ATOM 0 HZ PHE A 861 4.302 7.290 6.254 1.00 0.00 H new ATOM 980 N PRO A 862 7.360 12.021 2.065 1.00 0.00 N ATOM 981 CA PRO A 862 8.795 11.783 2.248 1.00 0.00 C ATOM 982 C PRO A 862 9.121 11.248 3.639 1.00 0.00 C ATOM 983 O PRO A 862 8.512 11.652 4.629 1.00 0.00 O ATOM 984 CB PRO A 862 9.412 13.170 2.051 1.00 0.00 C ATOM 985 CG PRO A 862 8.322 14.123 2.399 1.00 0.00 C ATOM 986 CD PRO A 862 7.040 13.456 1.983 1.00 0.00 C ATOM 0 HA PRO A 862 9.175 11.030 1.557 1.00 0.00 H new ATOM 0 HB2 PRO A 862 10.281 13.311 2.693 1.00 0.00 H new ATOM 0 HB3 PRO A 862 9.748 13.311 1.024 1.00 0.00 H new ATOM 0 HG2 PRO A 862 8.320 14.340 3.467 1.00 0.00 H new ATOM 0 HG3 PRO A 862 8.454 15.073 1.881 1.00 0.00 H new ATOM 0 HD2 PRO A 862 6.215 13.722 2.644 1.00 0.00 H new ATOM 0 HD3 PRO A 862 6.746 13.745 0.974 1.00 0.00 H new ATOM 994 N VAL A 863 10.087 10.337 3.705 1.00 0.00 N ATOM 995 CA VAL A 863 10.495 9.747 4.975 1.00 0.00 C ATOM 996 C VAL A 863 11.968 10.021 5.259 1.00 0.00 C ATOM 997 O VAL A 863 12.761 10.231 4.341 1.00 0.00 O ATOM 998 CB VAL A 863 10.254 8.226 4.990 1.00 0.00 C ATOM 999 CG1 VAL A 863 10.776 7.616 6.282 1.00 0.00 C ATOM 1000 CG2 VAL A 863 8.776 7.919 4.806 1.00 0.00 C ATOM 0 H VAL A 863 10.601 9.992 2.895 1.00 0.00 H new ATOM 0 HA VAL A 863 9.886 10.211 5.751 1.00 0.00 H new ATOM 0 HB VAL A 863 10.800 7.781 4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 863 10.597 6.541 6.275 1.00 0.00 H new ATOM 0 HG12 VAL A 863 11.846 7.805 6.367 1.00 0.00 H new ATOM 0 HG13 VAL A 863 10.259 8.064 7.131 1.00 0.00 H new ATOM 0 HG21 VAL A 863 8.624 6.840 4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 863 8.206 8.375 5.615 1.00 0.00 H new ATOM 0 HG23 VAL A 863 8.437 8.321 3.851 1.00 0.00 H new ATOM 1010 N LYS A 864 12.329 10.015 6.538 1.00 0.00 N ATOM 1011 CA LYS A 864 13.707 10.260 6.946 1.00 0.00 C ATOM 1012 C LYS A 864 14.560 9.010 6.759 1.00 0.00 C ATOM 1013 O LYS A 864 14.078 7.881 6.846 1.00 0.00 O ATOM 1014 CB LYS A 864 13.756 10.710 8.408 1.00 0.00 C ATOM 1015 CG LYS A 864 13.112 12.064 8.649 1.00 0.00 C ATOM 1016 CD LYS A 864 13.683 12.741 9.884 1.00 0.00 C ATOM 1017 CE LYS A 864 14.998 13.442 9.577 1.00 0.00 C ATOM 1018 NZ LYS A 864 16.166 12.538 9.769 1.00 0.00 N ATOM 0 H LYS A 864 11.685 9.843 7.310 1.00 0.00 H new ATOM 0 HA LYS A 864 14.111 11.052 6.315 1.00 0.00 H new ATOM 0 HB2 LYS A 864 13.256 9.964 9.026 1.00 0.00 H new ATOM 0 HB3 LYS A 864 14.796 10.748 8.733 1.00 0.00 H new ATOM 0 HG2 LYS A 864 13.267 12.702 7.779 1.00 0.00 H new ATOM 0 HG3 LYS A 864 12.035 11.940 8.766 1.00 0.00 H new ATOM 0 HD2 LYS A 864 12.965 13.465 10.269 1.00 0.00 H new ATOM 0 HD3 LYS A 864 13.839 12.000 10.668 1.00 0.00 H new ATOM 0 HE2 LYS A 864 14.985 13.805 8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 864 15.104 14.314 10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 864 16.878 13.012 10.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 864 15.854 11.663 10.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 864 16.583 12.308 8.844 1.00 0.00 H new ATOM 1032 N PRO A 865 15.860 9.213 6.496 1.00 0.00 N ATOM 1033 CA PRO A 865 16.808 8.114 6.294 1.00 0.00 C ATOM 1034 C PRO A 865 17.087 7.345 7.581 1.00 0.00 C ATOM 1035 O PRO A 865 17.168 6.117 7.576 1.00 0.00 O ATOM 1036 CB PRO A 865 18.075 8.823 5.809 1.00 0.00 C ATOM 1037 CG PRO A 865 17.971 10.203 6.360 1.00 0.00 C ATOM 1038 CD PRO A 865 16.504 10.532 6.378 1.00 0.00 C ATOM 0 HA PRO A 865 16.426 7.369 5.596 1.00 0.00 H new ATOM 0 HB2 PRO A 865 18.973 8.320 6.169 1.00 0.00 H new ATOM 0 HB3 PRO A 865 18.130 8.834 4.720 1.00 0.00 H new ATOM 0 HG2 PRO A 865 18.395 10.256 7.363 1.00 0.00 H new ATOM 0 HG3 PRO A 865 18.522 10.912 5.743 1.00 0.00 H new ATOM 0 HD2 PRO A 865 16.248 11.181 7.216 1.00 0.00 H new ATOM 0 HD3 PRO A 865 16.197 11.049 5.469 1.00 0.00 H new ATOM 1046 N ALA A 866 17.234 8.075 8.681 1.00 0.00 N ATOM 1047 CA ALA A 866 17.501 7.461 9.976 1.00 0.00 C ATOM 1048 C ALA A 866 16.421 6.447 10.336 1.00 0.00 C ATOM 1049 O ALA A 866 16.711 5.272 10.566 1.00 0.00 O ATOM 1050 CB ALA A 866 17.606 8.528 11.055 1.00 0.00 C ATOM 0 H ALA A 866 17.173 9.093 8.702 1.00 0.00 H new ATOM 0 HA ALA A 866 18.452 6.932 9.910 1.00 0.00 H new ATOM 0 HB1 ALA A 866 17.805 8.055 12.016 1.00 0.00 H new ATOM 0 HB2 ALA A 866 18.419 9.213 10.812 1.00 0.00 H new ATOM 0 HB3 ALA A 866 16.669 9.082 11.111 1.00 0.00 H new ATOM 1056 N ASP A 867 15.176 6.907 10.383 1.00 0.00 N ATOM 1057 CA ASP A 867 14.052 6.039 10.716 1.00 0.00 C ATOM 1058 C ASP A 867 14.005 4.831 9.785 1.00 0.00 C ATOM 1059 O ASP A 867 14.106 3.687 10.229 1.00 0.00 O ATOM 1060 CB ASP A 867 12.738 6.816 10.631 1.00 0.00 C ATOM 1061 CG ASP A 867 12.499 7.685 11.850 1.00 0.00 C ATOM 1062 OD1 ASP A 867 12.349 7.127 12.957 1.00 0.00 O ATOM 1063 OD2 ASP A 867 12.463 8.924 11.697 1.00 0.00 O ATOM 0 H ASP A 867 14.919 7.876 10.195 1.00 0.00 H new ATOM 0 HA ASP A 867 14.189 5.683 11.737 1.00 0.00 H new ATOM 0 HB2 ASP A 867 12.746 7.442 9.738 1.00 0.00 H new ATOM 0 HB3 ASP A 867 11.911 6.115 10.521 1.00 0.00 H new ATOM 1068 N LEU A 868 13.849 5.094 8.492 1.00 0.00 N ATOM 1069 CA LEU A 868 13.786 4.028 7.497 1.00 0.00 C ATOM 1070 C LEU A 868 14.782 2.919 7.824 1.00 0.00 C ATOM 1071 O LEU A 868 14.400 1.766 8.023 1.00 0.00 O ATOM 1072 CB LEU A 868 14.070 4.588 6.102 1.00 0.00 C ATOM 1073 CG LEU A 868 13.789 3.647 4.931 1.00 0.00 C ATOM 1074 CD1 LEU A 868 12.291 3.516 4.698 1.00 0.00 C ATOM 1075 CD2 LEU A 868 14.485 4.140 3.671 1.00 0.00 C ATOM 0 H LEU A 868 13.764 6.035 8.108 1.00 0.00 H new ATOM 0 HA LEU A 868 12.781 3.606 7.515 1.00 0.00 H new ATOM 0 HB2 LEU A 868 13.475 5.491 5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 868 15.117 4.887 6.059 1.00 0.00 H new ATOM 0 HG LEU A 868 14.185 2.662 5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 868 12.111 2.842 3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 868 11.817 3.116 5.594 1.00 0.00 H new ATOM 0 HD13 LEU A 868 11.871 4.496 4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 868 14.274 3.458 2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 868 14.120 5.136 3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 868 15.561 4.180 3.842 1.00 0.00 H new ATOM 1087 N LYS A 869 16.060 3.276 7.880 1.00 0.00 N ATOM 1088 CA LYS A 869 17.111 2.314 8.186 1.00 0.00 C ATOM 1089 C LYS A 869 16.741 1.472 9.403 1.00 0.00 C ATOM 1090 O LYS A 869 16.734 0.242 9.342 1.00 0.00 O ATOM 1091 CB LYS A 869 18.436 3.037 8.438 1.00 0.00 C ATOM 1092 CG LYS A 869 19.229 3.313 7.172 1.00 0.00 C ATOM 1093 CD LYS A 869 20.010 2.089 6.725 1.00 0.00 C ATOM 1094 CE LYS A 869 21.124 1.751 7.704 1.00 0.00 C ATOM 1095 NZ LYS A 869 22.077 0.757 7.138 1.00 0.00 N ATOM 0 H LYS A 869 16.393 4.226 7.717 1.00 0.00 H new ATOM 0 HA LYS A 869 17.223 1.652 7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 869 18.234 3.981 8.944 1.00 0.00 H new ATOM 0 HB3 LYS A 869 19.045 2.437 9.114 1.00 0.00 H new ATOM 0 HG2 LYS A 869 18.551 3.623 6.377 1.00 0.00 H new ATOM 0 HG3 LYS A 869 19.916 4.141 7.345 1.00 0.00 H new ATOM 0 HD2 LYS A 869 19.334 1.239 6.633 1.00 0.00 H new ATOM 0 HD3 LYS A 869 20.434 2.267 5.737 1.00 0.00 H new ATOM 0 HE2 LYS A 869 21.663 2.661 7.969 1.00 0.00 H new ATOM 0 HE3 LYS A 869 20.692 1.357 8.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 22.821 0.553 7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 21.568 -0.120 6.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 22.509 1.143 6.274 1.00 0.00 H new ATOM 1109 N LYS A 870 16.431 2.142 10.508 1.00 0.00 N ATOM 1110 CA LYS A 870 16.055 1.456 11.739 1.00 0.00 C ATOM 1111 C LYS A 870 14.945 0.443 11.481 1.00 0.00 C ATOM 1112 O LYS A 870 15.012 -0.696 11.943 1.00 0.00 O ATOM 1113 CB LYS A 870 15.601 2.469 12.793 1.00 0.00 C ATOM 1114 CG LYS A 870 16.744 3.253 13.415 1.00 0.00 C ATOM 1115 CD LYS A 870 16.267 4.103 14.580 1.00 0.00 C ATOM 1116 CE LYS A 870 17.379 4.339 15.590 1.00 0.00 C ATOM 1117 NZ LYS A 870 17.555 3.177 16.504 1.00 0.00 N ATOM 0 H LYS A 870 16.433 3.160 10.576 1.00 0.00 H new ATOM 0 HA LYS A 870 16.930 0.922 12.110 1.00 0.00 H new ATOM 0 HB2 LYS A 870 14.899 3.167 12.336 1.00 0.00 H new ATOM 0 HB3 LYS A 870 15.061 1.944 13.581 1.00 0.00 H new ATOM 0 HG2 LYS A 870 17.515 2.563 13.758 1.00 0.00 H new ATOM 0 HG3 LYS A 870 17.201 3.892 12.660 1.00 0.00 H new ATOM 0 HD2 LYS A 870 15.903 5.061 14.208 1.00 0.00 H new ATOM 0 HD3 LYS A 870 15.427 3.611 15.070 1.00 0.00 H new ATOM 0 HE2 LYS A 870 18.314 4.531 15.063 1.00 0.00 H new ATOM 0 HE3 LYS A 870 17.154 5.231 16.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 18.322 3.378 17.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 16.671 3.009 17.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 17.795 2.331 15.948 1.00 0.00 H new ATOM 1131 N ARG A 871 13.927 0.864 10.738 1.00 0.00 N ATOM 1132 CA ARG A 871 12.803 -0.008 10.418 1.00 0.00 C ATOM 1133 C ARG A 871 13.282 -1.287 9.739 1.00 0.00 C ATOM 1134 O ARG A 871 12.870 -2.388 10.105 1.00 0.00 O ATOM 1135 CB ARG A 871 11.807 0.720 9.513 1.00 0.00 C ATOM 1136 CG ARG A 871 11.232 1.983 10.133 1.00 0.00 C ATOM 1137 CD ARG A 871 9.974 1.688 10.934 1.00 0.00 C ATOM 1138 NE ARG A 871 10.275 1.373 12.328 1.00 0.00 N ATOM 1139 CZ ARG A 871 10.469 2.296 13.264 1.00 0.00 C ATOM 1140 NH1 ARG A 871 10.393 3.583 12.957 1.00 0.00 N ATOM 1141 NH2 ARG A 871 10.738 1.931 14.511 1.00 0.00 N ATOM 0 H ARG A 871 13.857 1.803 10.346 1.00 0.00 H new ATOM 0 HA ARG A 871 12.308 -0.277 11.351 1.00 0.00 H new ATOM 0 HB2 ARG A 871 12.301 0.978 8.576 1.00 0.00 H new ATOM 0 HB3 ARG A 871 10.990 0.042 9.266 1.00 0.00 H new ATOM 0 HG2 ARG A 871 11.978 2.443 10.781 1.00 0.00 H new ATOM 0 HG3 ARG A 871 11.004 2.704 9.348 1.00 0.00 H new ATOM 0 HD2 ARG A 871 9.307 2.549 10.893 1.00 0.00 H new ATOM 0 HD3 ARG A 871 9.443 0.852 10.480 1.00 0.00 H new ATOM 0 HE ARG A 871 10.340 0.391 12.598 1.00 0.00 H new ATOM 0 HH11 ARG A 871 10.185 3.868 12.000 1.00 0.00 H new ATOM 0 HH12 ARG A 871 10.542 4.289 13.678 1.00 0.00 H new ATOM 0 HH21 ARG A 871 10.796 0.941 14.752 1.00 0.00 H new ATOM 0 HH22 ARG A 871 10.887 2.640 15.229 1.00 0.00 H new ATOM 1155 N ILE A 872 14.155 -1.133 8.748 1.00 0.00 N ATOM 1156 CA ILE A 872 14.691 -2.276 8.019 1.00 0.00 C ATOM 1157 C ILE A 872 15.325 -3.286 8.969 1.00 0.00 C ATOM 1158 O ILE A 872 14.859 -4.419 9.086 1.00 0.00 O ATOM 1159 CB ILE A 872 15.739 -1.839 6.979 1.00 0.00 C ATOM 1160 CG1 ILE A 872 15.057 -1.150 5.795 1.00 0.00 C ATOM 1161 CG2 ILE A 872 16.549 -3.037 6.507 1.00 0.00 C ATOM 1162 CD1 ILE A 872 15.995 -0.296 4.971 1.00 0.00 C ATOM 0 H ILE A 872 14.506 -0.229 8.432 1.00 0.00 H new ATOM 0 HA ILE A 872 13.852 -2.743 7.503 1.00 0.00 H new ATOM 0 HB ILE A 872 16.419 -1.127 7.447 1.00 0.00 H new ATOM 0 HG12 ILE A 872 14.610 -1.908 5.152 1.00 0.00 H new ATOM 0 HG13 ILE A 872 14.244 -0.527 6.167 1.00 0.00 H new ATOM 0 HG21 ILE A 872 17.285 -2.712 5.772 1.00 0.00 H new ATOM 0 HG22 ILE A 872 17.060 -3.489 7.357 1.00 0.00 H new ATOM 0 HG23 ILE A 872 15.883 -3.770 6.053 1.00 0.00 H new ATOM 0 HD11 ILE A 872 15.444 0.161 4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 872 16.423 0.485 5.600 1.00 0.00 H new ATOM 0 HD13 ILE A 872 16.795 -0.918 4.569 1.00 0.00 H new ATOM 1174 N GLU A 873 16.389 -2.867 9.647 1.00 0.00 N ATOM 1175 CA GLU A 873 17.086 -3.735 10.588 1.00 0.00 C ATOM 1176 C GLU A 873 16.095 -4.480 11.477 1.00 0.00 C ATOM 1177 O GLU A 873 15.944 -5.698 11.373 1.00 0.00 O ATOM 1178 CB GLU A 873 18.050 -2.919 11.452 1.00 0.00 C ATOM 1179 CG GLU A 873 19.205 -2.316 10.671 1.00 0.00 C ATOM 1180 CD GLU A 873 20.410 -3.234 10.610 1.00 0.00 C ATOM 1181 OE1 GLU A 873 20.219 -4.455 10.427 1.00 0.00 O ATOM 1182 OE2 GLU A 873 21.546 -2.731 10.745 1.00 0.00 O ATOM 0 H GLU A 873 16.787 -1.932 9.562 1.00 0.00 H new ATOM 0 HA GLU A 873 17.655 -4.467 10.015 1.00 0.00 H new ATOM 0 HB2 GLU A 873 17.496 -2.118 11.942 1.00 0.00 H new ATOM 0 HB3 GLU A 873 18.449 -3.558 12.239 1.00 0.00 H new ATOM 0 HG2 GLU A 873 18.874 -2.089 9.658 1.00 0.00 H new ATOM 0 HG3 GLU A 873 19.496 -1.371 11.131 1.00 0.00 H new ATOM 1189 N SER A 874 15.421 -3.740 12.352 1.00 0.00 N ATOM 1190 CA SER A 874 14.448 -4.330 13.264 1.00 0.00 C ATOM 1191 C SER A 874 13.652 -5.431 12.569 1.00 0.00 C ATOM 1192 O SER A 874 13.772 -6.609 12.909 1.00 0.00 O ATOM 1193 CB SER A 874 13.498 -3.255 13.794 1.00 0.00 C ATOM 1194 OG SER A 874 12.939 -3.637 15.039 1.00 0.00 O ATOM 0 H SER A 874 15.531 -2.731 12.448 1.00 0.00 H new ATOM 0 HA SER A 874 14.990 -4.770 14.101 1.00 0.00 H new ATOM 0 HB2 SER A 874 14.036 -2.314 13.907 1.00 0.00 H new ATOM 0 HB3 SER A 874 12.700 -3.082 13.072 1.00 0.00 H new ATOM 0 HG SER A 874 12.337 -2.932 15.357 1.00 0.00 H new ATOM 1200 N LEU A 875 12.838 -5.039 11.595 1.00 0.00 N ATOM 1201 CA LEU A 875 12.021 -5.992 10.851 1.00 0.00 C ATOM 1202 C LEU A 875 12.801 -7.271 10.564 1.00 0.00 C ATOM 1203 O LEU A 875 12.334 -8.372 10.853 1.00 0.00 O ATOM 1204 CB LEU A 875 11.542 -5.367 9.540 1.00 0.00 C ATOM 1205 CG LEU A 875 10.471 -4.283 9.664 1.00 0.00 C ATOM 1206 CD1 LEU A 875 10.272 -3.573 8.334 1.00 0.00 C ATOM 1207 CD2 LEU A 875 9.160 -4.882 10.152 1.00 0.00 C ATOM 0 H LEU A 875 12.726 -4.068 11.302 1.00 0.00 H new ATOM 0 HA LEU A 875 11.155 -6.247 11.462 1.00 0.00 H new ATOM 0 HB2 LEU A 875 12.404 -4.940 9.028 1.00 0.00 H new ATOM 0 HB3 LEU A 875 11.154 -6.162 8.903 1.00 0.00 H new ATOM 0 HG LEU A 875 10.808 -3.550 10.397 1.00 0.00 H new ATOM 0 HD11 LEU A 875 9.506 -2.805 8.442 1.00 0.00 H new ATOM 0 HD12 LEU A 875 11.209 -3.110 8.025 1.00 0.00 H new ATOM 0 HD13 LEU A 875 9.958 -4.295 7.580 1.00 0.00 H new ATOM 0 HD21 LEU A 875 8.409 -4.096 10.234 1.00 0.00 H new ATOM 0 HD22 LEU A 875 8.819 -5.637 9.444 1.00 0.00 H new ATOM 0 HD23 LEU A 875 9.312 -5.343 11.128 1.00 0.00 H new ATOM 1219 N ILE A 876 13.992 -7.116 9.995 1.00 0.00 N ATOM 1220 CA ILE A 876 14.838 -8.258 9.672 1.00 0.00 C ATOM 1221 C ILE A 876 15.218 -9.033 10.929 1.00 0.00 C ATOM 1222 O ILE A 876 15.405 -10.250 10.888 1.00 0.00 O ATOM 1223 CB ILE A 876 16.123 -7.819 8.945 1.00 0.00 C ATOM 1224 CG1 ILE A 876 15.775 -7.041 7.675 1.00 0.00 C ATOM 1225 CG2 ILE A 876 16.983 -9.029 8.612 1.00 0.00 C ATOM 1226 CD1 ILE A 876 16.969 -6.372 7.030 1.00 0.00 C ATOM 0 H ILE A 876 14.393 -6.211 9.748 1.00 0.00 H new ATOM 0 HA ILE A 876 14.259 -8.903 9.011 1.00 0.00 H new ATOM 0 HB ILE A 876 16.691 -7.165 9.606 1.00 0.00 H new ATOM 0 HG12 ILE A 876 15.317 -7.721 6.956 1.00 0.00 H new ATOM 0 HG13 ILE A 876 15.030 -6.283 7.916 1.00 0.00 H new ATOM 0 HG21 ILE A 876 17.887 -8.702 8.099 1.00 0.00 H new ATOM 0 HG22 ILE A 876 17.255 -9.546 9.532 1.00 0.00 H new ATOM 0 HG23 ILE A 876 16.424 -9.706 7.966 1.00 0.00 H new ATOM 0 HD11 ILE A 876 16.648 -5.839 6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 876 17.414 -5.667 7.732 1.00 0.00 H new ATOM 0 HD13 ILE A 876 17.706 -7.127 6.758 1.00 0.00 H new ATOM 1238 N ASP A 877 15.330 -8.322 12.045 1.00 0.00 N ATOM 1239 CA ASP A 877 15.685 -8.943 13.316 1.00 0.00 C ATOM 1240 C ASP A 877 14.443 -9.467 14.030 1.00 0.00 C ATOM 1241 O ASP A 877 14.543 -10.141 15.056 1.00 0.00 O ATOM 1242 CB ASP A 877 16.419 -7.943 14.210 1.00 0.00 C ATOM 1243 CG ASP A 877 17.922 -7.987 14.016 1.00 0.00 C ATOM 1244 OD1 ASP A 877 18.367 -8.236 12.875 1.00 0.00 O ATOM 1245 OD2 ASP A 877 18.654 -7.773 15.004 1.00 0.00 O ATOM 0 H ASP A 877 15.180 -7.314 12.096 1.00 0.00 H new ATOM 0 HA ASP A 877 16.345 -9.785 13.109 1.00 0.00 H new ATOM 0 HB2 ASP A 877 16.058 -6.937 13.998 1.00 0.00 H new ATOM 0 HB3 ASP A 877 16.184 -8.152 15.254 1.00 0.00 H new ATOM 1250 N ARG A 878 13.274 -9.152 13.483 1.00 0.00 N ATOM 1251 CA ARG A 878 12.013 -9.588 14.069 1.00 0.00 C ATOM 1252 C ARG A 878 11.664 -11.003 13.615 1.00 0.00 C ATOM 1253 O ARG A 878 10.554 -11.483 13.848 1.00 0.00 O ATOM 1254 CB ARG A 878 10.888 -8.626 13.686 1.00 0.00 C ATOM 1255 CG ARG A 878 11.084 -7.216 14.220 1.00 0.00 C ATOM 1256 CD ARG A 878 11.828 -7.221 15.546 1.00 0.00 C ATOM 1257 NE ARG A 878 11.160 -8.051 16.545 1.00 0.00 N ATOM 1258 CZ ARG A 878 11.549 -8.130 17.813 1.00 0.00 C ATOM 1259 NH1 ARG A 878 12.595 -7.434 18.234 1.00 0.00 N ATOM 1260 NH2 ARG A 878 10.890 -8.908 18.662 1.00 0.00 N ATOM 0 H ARG A 878 13.174 -8.596 12.634 1.00 0.00 H new ATOM 0 HA ARG A 878 12.126 -9.590 15.153 1.00 0.00 H new ATOM 0 HB2 ARG A 878 10.809 -8.586 12.600 1.00 0.00 H new ATOM 0 HB3 ARG A 878 9.942 -9.019 14.060 1.00 0.00 H new ATOM 0 HG2 ARG A 878 11.639 -6.624 13.492 1.00 0.00 H new ATOM 0 HG3 ARG A 878 10.114 -6.736 14.348 1.00 0.00 H new ATOM 0 HD2 ARG A 878 12.843 -7.587 15.391 1.00 0.00 H new ATOM 0 HD3 ARG A 878 11.911 -6.200 15.919 1.00 0.00 H new ATOM 0 HE ARG A 878 10.351 -8.600 16.253 1.00 0.00 H new ATOM 0 HH11 ARG A 878 13.104 -6.835 17.584 1.00 0.00 H new ATOM 0 HH12 ARG A 878 12.891 -7.497 19.208 1.00 0.00 H new ATOM 0 HH21 ARG A 878 10.085 -9.446 18.341 1.00 0.00 H new ATOM 0 HH22 ARG A 878 11.189 -8.969 19.635 1.00 0.00 H new ATOM 1274 N ASP A 879 12.617 -11.663 12.968 1.00 0.00 N ATOM 1275 CA ASP A 879 12.411 -13.023 12.482 1.00 0.00 C ATOM 1276 C ASP A 879 11.513 -13.029 11.249 1.00 0.00 C ATOM 1277 O ASP A 879 10.847 -14.022 10.958 1.00 0.00 O ATOM 1278 CB ASP A 879 11.795 -13.891 13.580 1.00 0.00 C ATOM 1279 CG ASP A 879 11.990 -15.373 13.324 1.00 0.00 C ATOM 1280 OD1 ASP A 879 13.137 -15.781 13.043 1.00 0.00 O ATOM 1281 OD2 ASP A 879 10.997 -16.124 13.405 1.00 0.00 O ATOM 0 H ASP A 879 13.540 -11.279 12.767 1.00 0.00 H new ATOM 0 HA ASP A 879 13.381 -13.435 12.205 1.00 0.00 H new ATOM 0 HB2 ASP A 879 12.241 -13.629 14.539 1.00 0.00 H new ATOM 0 HB3 ASP A 879 10.729 -13.675 13.655 1.00 0.00 H new ATOM 1286 N TYR A 880 11.499 -11.913 10.528 1.00 0.00 N ATOM 1287 CA TYR A 880 10.681 -11.788 9.328 1.00 0.00 C ATOM 1288 C TYR A 880 11.540 -11.883 8.070 1.00 0.00 C ATOM 1289 O TYR A 880 11.109 -12.421 7.051 1.00 0.00 O ATOM 1290 CB TYR A 880 9.920 -10.461 9.340 1.00 0.00 C ATOM 1291 CG TYR A 880 8.853 -10.385 10.409 1.00 0.00 C ATOM 1292 CD1 TYR A 880 8.015 -11.464 10.661 1.00 0.00 C ATOM 1293 CD2 TYR A 880 8.684 -9.234 11.169 1.00 0.00 C ATOM 1294 CE1 TYR A 880 7.039 -11.398 11.636 1.00 0.00 C ATOM 1295 CE2 TYR A 880 7.712 -9.160 12.147 1.00 0.00 C ATOM 1296 CZ TYR A 880 6.891 -10.244 12.377 1.00 0.00 C ATOM 1297 OH TYR A 880 5.921 -10.175 13.350 1.00 0.00 O ATOM 0 H TYR A 880 12.045 -11.082 10.754 1.00 0.00 H new ATOM 0 HA TYR A 880 9.965 -12.610 9.320 1.00 0.00 H new ATOM 0 HB2 TYR A 880 10.629 -9.646 9.488 1.00 0.00 H new ATOM 0 HB3 TYR A 880 9.457 -10.308 8.365 1.00 0.00 H new ATOM 0 HD1 TYR A 880 8.129 -12.370 10.084 1.00 0.00 H new ATOM 0 HD2 TYR A 880 9.324 -8.382 10.992 1.00 0.00 H new ATOM 0 HE1 TYR A 880 6.395 -12.246 11.817 1.00 0.00 H new ATOM 0 HE2 TYR A 880 7.595 -8.258 12.729 1.00 0.00 H new ATOM 0 HH TYR A 880 5.951 -9.295 13.779 1.00 0.00 H new ATOM 1307 N MET A 881 12.757 -11.356 8.152 1.00 0.00 N ATOM 1308 CA MET A 881 13.678 -11.382 7.022 1.00 0.00 C ATOM 1309 C MET A 881 15.101 -11.677 7.487 1.00 0.00 C ATOM 1310 O MET A 881 15.424 -11.516 8.663 1.00 0.00 O ATOM 1311 CB MET A 881 13.640 -10.048 6.274 1.00 0.00 C ATOM 1312 CG MET A 881 12.232 -9.571 5.954 1.00 0.00 C ATOM 1313 SD MET A 881 11.465 -10.514 4.622 1.00 0.00 S ATOM 1314 CE MET A 881 12.582 -10.157 3.268 1.00 0.00 C ATOM 0 H MET A 881 13.128 -10.906 8.989 1.00 0.00 H new ATOM 0 HA MET A 881 13.363 -12.178 6.347 1.00 0.00 H new ATOM 0 HB2 MET A 881 14.144 -9.290 6.873 1.00 0.00 H new ATOM 0 HB3 MET A 881 14.202 -10.145 5.345 1.00 0.00 H new ATOM 0 HG2 MET A 881 11.615 -9.646 6.849 1.00 0.00 H new ATOM 0 HG3 MET A 881 12.264 -8.517 5.676 1.00 0.00 H new ATOM 0 HE1 MET A 881 12.167 -10.551 2.340 1.00 0.00 H new ATOM 0 HE2 MET A 881 12.712 -9.078 3.178 1.00 0.00 H new ATOM 0 HE3 MET A 881 13.548 -10.624 3.461 1.00 0.00 H new ATOM 1324 N GLU A 882 15.945 -12.110 6.555 1.00 0.00 N ATOM 1325 CA GLU A 882 17.333 -12.428 6.872 1.00 0.00 C ATOM 1326 C GLU A 882 18.277 -11.841 5.827 1.00 0.00 C ATOM 1327 O GLU A 882 17.943 -11.767 4.644 1.00 0.00 O ATOM 1328 CB GLU A 882 17.525 -13.944 6.956 1.00 0.00 C ATOM 1329 CG GLU A 882 17.299 -14.660 5.635 1.00 0.00 C ATOM 1330 CD GLU A 882 17.522 -16.156 5.737 1.00 0.00 C ATOM 1331 OE1 GLU A 882 18.655 -16.567 6.066 1.00 0.00 O ATOM 1332 OE2 GLU A 882 16.563 -16.916 5.487 1.00 0.00 O ATOM 0 H GLU A 882 15.693 -12.248 5.576 1.00 0.00 H new ATOM 0 HA GLU A 882 17.570 -11.985 7.839 1.00 0.00 H new ATOM 0 HB2 GLU A 882 18.536 -14.155 7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 882 16.839 -14.348 7.701 1.00 0.00 H new ATOM 0 HG2 GLU A 882 16.282 -14.471 5.293 1.00 0.00 H new ATOM 0 HG3 GLU A 882 17.971 -14.247 4.882 1.00 0.00 H new ATOM 1339 N ARG A 883 19.458 -11.424 6.273 1.00 0.00 N ATOM 1340 CA ARG A 883 20.451 -10.842 5.378 1.00 0.00 C ATOM 1341 C ARG A 883 21.183 -11.930 4.597 1.00 0.00 C ATOM 1342 O ARG A 883 21.706 -12.880 5.179 1.00 0.00 O ATOM 1343 CB ARG A 883 21.455 -10.005 6.172 1.00 0.00 C ATOM 1344 CG ARG A 883 20.894 -8.679 6.658 1.00 0.00 C ATOM 1345 CD ARG A 883 22.001 -7.675 6.942 1.00 0.00 C ATOM 1346 NE ARG A 883 22.898 -8.135 7.998 1.00 0.00 N ATOM 1347 CZ ARG A 883 23.735 -7.336 8.651 1.00 0.00 C ATOM 1348 NH1 ARG A 883 23.787 -6.044 8.358 1.00 0.00 N ATOM 1349 NH2 ARG A 883 24.520 -7.829 9.599 1.00 0.00 N ATOM 0 H ARG A 883 19.750 -11.478 7.249 1.00 0.00 H new ATOM 0 HA ARG A 883 19.932 -10.197 4.669 1.00 0.00 H new ATOM 0 HB2 ARG A 883 21.797 -10.582 7.031 1.00 0.00 H new ATOM 0 HB3 ARG A 883 22.329 -9.814 5.549 1.00 0.00 H new ATOM 0 HG2 ARG A 883 20.217 -8.272 5.907 1.00 0.00 H new ATOM 0 HG3 ARG A 883 20.307 -8.841 7.562 1.00 0.00 H new ATOM 0 HD2 ARG A 883 22.573 -7.499 6.031 1.00 0.00 H new ATOM 0 HD3 ARG A 883 21.560 -6.721 7.231 1.00 0.00 H new ATOM 0 HE ARG A 883 22.881 -9.124 8.248 1.00 0.00 H new ATOM 0 HH11 ARG A 883 23.184 -5.661 7.630 1.00 0.00 H new ATOM 0 HH12 ARG A 883 24.430 -5.433 8.861 1.00 0.00 H new ATOM 0 HH21 ARG A 883 24.482 -8.822 9.827 1.00 0.00 H new ATOM 0 HH22 ARG A 883 25.162 -7.215 10.100 1.00 0.00 H new ATOM 1363 N ASP A 884 21.215 -11.783 3.277 1.00 0.00 N ATOM 1364 CA ASP A 884 21.883 -12.752 2.417 1.00 0.00 C ATOM 1365 C ASP A 884 23.343 -12.926 2.825 1.00 0.00 C ATOM 1366 O ASP A 884 24.146 -12.000 2.709 1.00 0.00 O ATOM 1367 CB ASP A 884 21.799 -12.311 0.955 1.00 0.00 C ATOM 1368 CG ASP A 884 22.171 -13.422 -0.008 1.00 0.00 C ATOM 1369 OD1 ASP A 884 22.950 -14.315 0.388 1.00 0.00 O ATOM 1370 OD2 ASP A 884 21.682 -13.399 -1.157 1.00 0.00 O ATOM 0 H ASP A 884 20.786 -11.002 2.780 1.00 0.00 H new ATOM 0 HA ASP A 884 21.376 -13.710 2.530 1.00 0.00 H new ATOM 0 HB2 ASP A 884 20.786 -11.971 0.739 1.00 0.00 H new ATOM 0 HB3 ASP A 884 22.462 -11.460 0.797 1.00 0.00 H new ATOM 1375 N LYS A 885 23.679 -14.119 3.304 1.00 0.00 N ATOM 1376 CA LYS A 885 25.042 -14.416 3.730 1.00 0.00 C ATOM 1377 C LYS A 885 26.057 -13.813 2.765 1.00 0.00 C ATOM 1378 O LYS A 885 27.183 -13.501 3.151 1.00 0.00 O ATOM 1379 CB LYS A 885 25.250 -15.929 3.826 1.00 0.00 C ATOM 1380 CG LYS A 885 24.769 -16.527 5.137 1.00 0.00 C ATOM 1381 CD LYS A 885 25.345 -17.916 5.361 1.00 0.00 C ATOM 1382 CE LYS A 885 24.650 -18.629 6.511 1.00 0.00 C ATOM 1383 NZ LYS A 885 25.449 -19.781 7.012 1.00 0.00 N ATOM 0 H LYS A 885 23.026 -14.896 3.407 1.00 0.00 H new ATOM 0 HA LYS A 885 25.194 -13.971 4.714 1.00 0.00 H new ATOM 0 HB2 LYS A 885 24.726 -16.412 3.002 1.00 0.00 H new ATOM 0 HB3 LYS A 885 26.310 -16.150 3.703 1.00 0.00 H new ATOM 0 HG2 LYS A 885 25.056 -15.876 5.962 1.00 0.00 H new ATOM 0 HG3 LYS A 885 23.680 -16.579 5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 885 25.241 -18.505 4.450 1.00 0.00 H new ATOM 0 HD3 LYS A 885 26.412 -17.839 5.571 1.00 0.00 H new ATOM 0 HE2 LYS A 885 24.479 -17.924 7.325 1.00 0.00 H new ATOM 0 HE3 LYS A 885 23.672 -18.981 6.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 885 24.942 -20.241 7.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 885 25.591 -20.466 6.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 885 26.373 -19.442 7.349 1.00 0.00 H new ATOM 1397 N GLU A 886 25.651 -13.651 1.510 1.00 0.00 N ATOM 1398 CA GLU A 886 26.527 -13.085 0.491 1.00 0.00 C ATOM 1399 C GLU A 886 26.787 -11.605 0.759 1.00 0.00 C ATOM 1400 O GLU A 886 27.934 -11.181 0.893 1.00 0.00 O ATOM 1401 CB GLU A 886 25.911 -13.262 -0.898 1.00 0.00 C ATOM 1402 CG GLU A 886 26.312 -14.558 -1.582 1.00 0.00 C ATOM 1403 CD GLU A 886 26.343 -14.436 -3.093 1.00 0.00 C ATOM 1404 OE1 GLU A 886 27.276 -13.791 -3.616 1.00 0.00 O ATOM 1405 OE2 GLU A 886 25.435 -14.984 -3.751 1.00 0.00 O ATOM 0 H GLU A 886 24.721 -13.904 1.174 1.00 0.00 H new ATOM 0 HA GLU A 886 27.478 -13.617 0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 886 24.825 -13.228 -0.811 1.00 0.00 H new ATOM 0 HB3 GLU A 886 26.207 -12.423 -1.527 1.00 0.00 H new ATOM 0 HG2 GLU A 886 27.296 -14.863 -1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 886 25.613 -15.345 -1.299 1.00 0.00 H new ATOM 1412 N ASN A 887 25.714 -10.826 0.837 1.00 0.00 N ATOM 1413 CA ASN A 887 25.825 -9.394 1.088 1.00 0.00 C ATOM 1414 C ASN A 887 24.663 -8.899 1.944 1.00 0.00 C ATOM 1415 O ASN A 887 23.516 -9.312 1.775 1.00 0.00 O ATOM 1416 CB ASN A 887 25.863 -8.624 -0.234 1.00 0.00 C ATOM 1417 CG ASN A 887 26.571 -7.290 -0.107 1.00 0.00 C ATOM 1418 OD1 ASN A 887 25.943 -6.233 -0.168 1.00 0.00 O ATOM 1419 ND2 ASN A 887 27.887 -7.333 0.072 1.00 0.00 N ATOM 0 H ASN A 887 24.757 -11.162 0.730 1.00 0.00 H new ATOM 0 HA ASN A 887 26.754 -9.217 1.631 1.00 0.00 H new ATOM 0 HB2 ASN A 887 26.366 -9.228 -0.989 1.00 0.00 H new ATOM 0 HB3 ASN A 887 24.844 -8.459 -0.585 1.00 0.00 H new ATOM 0 HD21 ASN A 887 28.418 -6.467 0.165 1.00 0.00 H new ATOM 0 HD22 ASN A 887 28.367 -8.232 0.116 1.00 0.00 H new ATOM 1426 N PRO A 888 24.966 -7.992 2.885 1.00 0.00 N ATOM 1427 CA PRO A 888 23.960 -7.420 3.785 1.00 0.00 C ATOM 1428 C PRO A 888 22.994 -6.490 3.060 1.00 0.00 C ATOM 1429 O PRO A 888 22.045 -5.980 3.653 1.00 0.00 O ATOM 1430 CB PRO A 888 24.797 -6.637 4.800 1.00 0.00 C ATOM 1431 CG PRO A 888 26.056 -6.305 4.076 1.00 0.00 C ATOM 1432 CD PRO A 888 26.312 -7.455 3.141 1.00 0.00 C ATOM 0 HA PRO A 888 23.330 -8.189 4.233 1.00 0.00 H new ATOM 0 HB2 PRO A 888 24.280 -5.736 5.129 1.00 0.00 H new ATOM 0 HB3 PRO A 888 24.998 -7.232 5.691 1.00 0.00 H new ATOM 0 HG2 PRO A 888 25.955 -5.370 3.526 1.00 0.00 H new ATOM 0 HG3 PRO A 888 26.884 -6.177 4.773 1.00 0.00 H new ATOM 0 HD2 PRO A 888 26.795 -7.125 2.221 1.00 0.00 H new ATOM 0 HD3 PRO A 888 26.964 -8.203 3.593 1.00 0.00 H new ATOM 1440 N ASN A 889 23.242 -6.274 1.772 1.00 0.00 N ATOM 1441 CA ASN A 889 22.394 -5.404 0.965 1.00 0.00 C ATOM 1442 C ASN A 889 21.183 -6.166 0.435 1.00 0.00 C ATOM 1443 O ASN A 889 20.309 -5.588 -0.210 1.00 0.00 O ATOM 1444 CB ASN A 889 23.192 -4.818 -0.201 1.00 0.00 C ATOM 1445 CG ASN A 889 24.369 -3.983 0.266 1.00 0.00 C ATOM 1446 OD1 ASN A 889 24.541 -3.747 1.461 1.00 0.00 O ATOM 1447 ND2 ASN A 889 25.185 -3.531 -0.679 1.00 0.00 N ATOM 0 H ASN A 889 24.023 -6.690 1.265 1.00 0.00 H new ATOM 0 HA ASN A 889 22.041 -4.591 1.600 1.00 0.00 H new ATOM 0 HB2 ASN A 889 23.553 -5.628 -0.834 1.00 0.00 H new ATOM 0 HB3 ASN A 889 22.534 -4.203 -0.815 1.00 0.00 H new ATOM 0 HD21 ASN A 889 25.994 -2.963 -0.426 1.00 0.00 H new ATOM 0 HD22 ASN A 889 25.003 -3.752 -1.658 1.00 0.00 H new ATOM 1454 N GLN A 890 21.139 -7.465 0.713 1.00 0.00 N ATOM 1455 CA GLN A 890 20.035 -8.305 0.264 1.00 0.00 C ATOM 1456 C GLN A 890 19.275 -8.887 1.452 1.00 0.00 C ATOM 1457 O GLN A 890 19.847 -9.103 2.521 1.00 0.00 O ATOM 1458 CB GLN A 890 20.555 -9.434 -0.627 1.00 0.00 C ATOM 1459 CG GLN A 890 19.466 -10.378 -1.111 1.00 0.00 C ATOM 1460 CD GLN A 890 19.775 -10.978 -2.468 1.00 0.00 C ATOM 1461 OE1 GLN A 890 18.966 -10.636 -3.464 1.00 0.00 O flip ATOM 1462 NE2 GLN A 890 20.729 -11.741 -2.619 1.00 0.00 N flip ATOM 0 H GLN A 890 21.855 -7.958 1.247 1.00 0.00 H new ATOM 0 HA GLN A 890 19.350 -7.683 -0.312 1.00 0.00 H new ATOM 0 HB2 GLN A 890 21.059 -9.001 -1.491 1.00 0.00 H new ATOM 0 HB3 GLN A 890 21.302 -10.006 -0.076 1.00 0.00 H new ATOM 0 HG2 GLN A 890 19.336 -11.180 -0.384 1.00 0.00 H new ATOM 0 HG3 GLN A 890 18.520 -9.839 -1.163 1.00 0.00 H new ATOM 0 HE21 GLN A 890 21.325 -11.976 -1.825 1.00 0.00 H new ATOM 0 HE22 GLN A 890 20.924 -12.138 -3.538 1.00 0.00 H new ATOM 1471 N TYR A 891 17.986 -9.138 1.258 1.00 0.00 N ATOM 1472 CA TYR A 891 17.147 -9.692 2.314 1.00 0.00 C ATOM 1473 C TYR A 891 16.283 -10.831 1.783 1.00 0.00 C ATOM 1474 O TYR A 891 15.776 -10.770 0.664 1.00 0.00 O ATOM 1475 CB TYR A 891 16.259 -8.601 2.915 1.00 0.00 C ATOM 1476 CG TYR A 891 16.991 -7.306 3.186 1.00 0.00 C ATOM 1477 CD1 TYR A 891 18.030 -7.250 4.106 1.00 0.00 C ATOM 1478 CD2 TYR A 891 16.643 -6.137 2.519 1.00 0.00 C ATOM 1479 CE1 TYR A 891 18.700 -6.069 4.356 1.00 0.00 C ATOM 1480 CE2 TYR A 891 17.308 -4.951 2.763 1.00 0.00 C ATOM 1481 CZ TYR A 891 18.336 -4.922 3.682 1.00 0.00 C ATOM 1482 OH TYR A 891 19.002 -3.743 3.928 1.00 0.00 O ATOM 0 H TYR A 891 17.498 -8.967 0.379 1.00 0.00 H new ATOM 0 HA TYR A 891 17.801 -10.088 3.091 1.00 0.00 H new ATOM 0 HB2 TYR A 891 15.429 -8.404 2.236 1.00 0.00 H new ATOM 0 HB3 TYR A 891 15.828 -8.967 3.847 1.00 0.00 H new ATOM 0 HD1 TYR A 891 18.319 -8.146 4.635 1.00 0.00 H new ATOM 0 HD2 TYR A 891 15.839 -6.156 1.798 1.00 0.00 H new ATOM 0 HE1 TYR A 891 19.505 -6.043 5.076 1.00 0.00 H new ATOM 0 HE2 TYR A 891 17.024 -4.051 2.237 1.00 0.00 H new ATOM 0 HH TYR A 891 18.624 -3.031 3.371 1.00 0.00 H new ATOM 1492 N ASN A 892 16.121 -11.871 2.595 1.00 0.00 N ATOM 1493 CA ASN A 892 15.318 -13.025 2.208 1.00 0.00 C ATOM 1494 C ASN A 892 14.083 -13.151 3.095 1.00 0.00 C ATOM 1495 O ASN A 892 14.108 -12.781 4.269 1.00 0.00 O ATOM 1496 CB ASN A 892 16.153 -14.304 2.292 1.00 0.00 C ATOM 1497 CG ASN A 892 17.346 -14.279 1.356 1.00 0.00 C ATOM 1498 OD1 ASN A 892 17.340 -14.925 0.308 1.00 0.00 O ATOM 1499 ND2 ASN A 892 18.377 -13.532 1.732 1.00 0.00 N ATOM 0 H ASN A 892 16.535 -11.938 3.525 1.00 0.00 H new ATOM 0 HA ASN A 892 14.990 -12.880 1.179 1.00 0.00 H new ATOM 0 HB2 ASN A 892 16.501 -14.441 3.316 1.00 0.00 H new ATOM 0 HB3 ASN A 892 15.524 -15.161 2.052 1.00 0.00 H new ATOM 0 HD21 ASN A 892 19.208 -13.477 1.143 1.00 0.00 H new ATOM 0 HD22 ASN A 892 18.338 -13.013 2.609 1.00 0.00 H new ATOM 1506 N TYR A 893 13.004 -13.677 2.525 1.00 0.00 N ATOM 1507 CA TYR A 893 11.758 -13.850 3.263 1.00 0.00 C ATOM 1508 C TYR A 893 11.782 -15.141 4.076 1.00 0.00 C ATOM 1509 O TYR A 893 12.114 -16.208 3.558 1.00 0.00 O ATOM 1510 CB TYR A 893 10.569 -13.862 2.301 1.00 0.00 C ATOM 1511 CG TYR A 893 9.227 -13.858 2.998 1.00 0.00 C ATOM 1512 CD1 TYR A 893 8.753 -12.714 3.629 1.00 0.00 C ATOM 1513 CD2 TYR A 893 8.434 -14.998 3.026 1.00 0.00 C ATOM 1514 CE1 TYR A 893 7.528 -12.706 4.267 1.00 0.00 C ATOM 1515 CE2 TYR A 893 7.207 -14.999 3.661 1.00 0.00 C ATOM 1516 CZ TYR A 893 6.758 -13.851 4.280 1.00 0.00 C ATOM 1517 OH TYR A 893 5.537 -13.848 4.915 1.00 0.00 O ATOM 0 H TYR A 893 12.967 -13.991 1.555 1.00 0.00 H new ATOM 0 HA TYR A 893 11.652 -13.011 3.950 1.00 0.00 H new ATOM 0 HB2 TYR A 893 10.632 -12.992 1.647 1.00 0.00 H new ATOM 0 HB3 TYR A 893 10.636 -14.744 1.665 1.00 0.00 H new ATOM 0 HD1 TYR A 893 9.353 -11.816 3.620 1.00 0.00 H new ATOM 0 HD2 TYR A 893 8.783 -15.899 2.543 1.00 0.00 H new ATOM 0 HE1 TYR A 893 7.175 -11.809 4.753 1.00 0.00 H new ATOM 0 HE2 TYR A 893 6.603 -15.894 3.673 1.00 0.00 H new ATOM 0 HH TYR A 893 5.122 -14.732 4.831 1.00 0.00 H new ATOM 1527 N ILE A 894 11.426 -15.036 5.352 1.00 0.00 N ATOM 1528 CA ILE A 894 11.404 -16.194 6.236 1.00 0.00 C ATOM 1529 C ILE A 894 10.034 -16.366 6.884 1.00 0.00 C ATOM 1530 O ILE A 894 9.553 -17.485 7.056 1.00 0.00 O ATOM 1531 CB ILE A 894 12.471 -16.079 7.341 1.00 0.00 C ATOM 1532 CG1 ILE A 894 12.580 -14.632 7.826 1.00 0.00 C ATOM 1533 CG2 ILE A 894 13.815 -16.576 6.833 1.00 0.00 C ATOM 1534 CD1 ILE A 894 13.578 -14.444 8.947 1.00 0.00 C ATOM 0 H ILE A 894 11.149 -14.161 5.796 1.00 0.00 H new ATOM 0 HA ILE A 894 11.623 -17.066 5.619 1.00 0.00 H new ATOM 0 HB ILE A 894 12.170 -16.703 8.183 1.00 0.00 H new ATOM 0 HG12 ILE A 894 12.864 -13.997 6.987 1.00 0.00 H new ATOM 0 HG13 ILE A 894 11.600 -14.295 8.163 1.00 0.00 H new ATOM 0 HG21 ILE A 894 14.558 -16.488 7.625 1.00 0.00 H new ATOM 0 HG22 ILE A 894 13.727 -17.620 6.532 1.00 0.00 H new ATOM 0 HG23 ILE A 894 14.125 -15.977 5.977 1.00 0.00 H new ATOM 0 HD11 ILE A 894 13.603 -13.394 9.240 1.00 0.00 H new ATOM 0 HD12 ILE A 894 13.284 -15.053 9.802 1.00 0.00 H new ATOM 0 HD13 ILE A 894 14.568 -14.749 8.608 1.00 0.00 H new ATOM 1546 N ALA A 895 9.409 -15.248 7.239 1.00 0.00 N ATOM 1547 CA ALA A 895 8.093 -15.273 7.864 1.00 0.00 C ATOM 1548 C ALA A 895 7.227 -16.381 7.274 1.00 0.00 C ATOM 1549 O ALA A 895 7.140 -16.532 6.055 1.00 0.00 O ATOM 1550 CB ALA A 895 7.407 -13.924 7.707 1.00 0.00 C ATOM 0 H ALA A 895 9.794 -14.313 7.104 1.00 0.00 H new ATOM 0 HA ALA A 895 8.227 -15.478 8.926 1.00 0.00 H new ATOM 0 HB1 ALA A 895 6.425 -13.958 8.179 1.00 0.00 H new ATOM 0 HB2 ALA A 895 8.011 -13.151 8.182 1.00 0.00 H new ATOM 0 HB3 ALA A 895 7.293 -13.695 6.647 1.00 0.00 H new ATOM 1556 N SER A 896 6.588 -17.155 8.146 1.00 0.00 N ATOM 1557 CA SER A 896 5.732 -18.252 7.710 1.00 0.00 C ATOM 1558 C SER A 896 4.273 -17.810 7.645 1.00 0.00 C ATOM 1559 O SER A 896 3.550 -17.865 8.639 1.00 0.00 O ATOM 1560 CB SER A 896 5.873 -19.444 8.659 1.00 0.00 C ATOM 1561 OG SER A 896 5.569 -20.660 7.998 1.00 0.00 O ATOM 0 H SER A 896 6.647 -17.043 9.158 1.00 0.00 H new ATOM 0 HA SER A 896 6.048 -18.552 6.711 1.00 0.00 H new ATOM 0 HB2 SER A 896 6.890 -19.483 9.050 1.00 0.00 H new ATOM 0 HB3 SER A 896 5.208 -19.314 9.513 1.00 0.00 H new ATOM 0 HG SER A 896 5.668 -21.407 8.625 1.00 0.00 H new ATOM 1567 N GLY A 897 3.847 -17.370 6.464 1.00 0.00 N ATOM 1568 CA GLY A 897 2.477 -16.925 6.289 1.00 0.00 C ATOM 1569 C GLY A 897 1.475 -18.050 6.458 1.00 0.00 C ATOM 1570 O GLY A 897 1.839 -19.213 6.633 1.00 0.00 O ATOM 0 H GLY A 897 4.426 -17.314 5.626 1.00 0.00 H new ATOM 0 HA2 GLY A 897 2.259 -16.137 7.010 1.00 0.00 H new ATOM 0 HA3 GLY A 897 2.364 -16.488 5.297 1.00 0.00 H new ATOM 1574 N PRO A 898 0.179 -17.706 6.408 1.00 0.00 N ATOM 1575 CA PRO A 898 -0.905 -18.682 6.556 1.00 0.00 C ATOM 1576 C PRO A 898 -1.006 -19.621 5.359 1.00 0.00 C ATOM 1577 O PRO A 898 -1.886 -20.480 5.305 1.00 0.00 O ATOM 1578 CB PRO A 898 -2.157 -17.808 6.658 1.00 0.00 C ATOM 1579 CG PRO A 898 -1.796 -16.545 5.955 1.00 0.00 C ATOM 1580 CD PRO A 898 -0.327 -16.339 6.203 1.00 0.00 C ATOM 0 HA PRO A 898 -0.753 -19.334 7.416 1.00 0.00 H new ATOM 0 HB2 PRO A 898 -3.015 -18.290 6.190 1.00 0.00 H new ATOM 0 HB3 PRO A 898 -2.425 -17.620 7.698 1.00 0.00 H new ATOM 0 HG2 PRO A 898 -2.005 -16.619 4.888 1.00 0.00 H new ATOM 0 HG3 PRO A 898 -2.378 -15.706 6.337 1.00 0.00 H new ATOM 0 HD2 PRO A 898 0.159 -15.853 5.357 1.00 0.00 H new ATOM 0 HD3 PRO A 898 -0.151 -15.710 7.076 1.00 0.00 H new ATOM 1588 N SER A 899 -0.100 -19.452 4.401 1.00 0.00 N ATOM 1589 CA SER A 899 -0.090 -20.283 3.203 1.00 0.00 C ATOM 1590 C SER A 899 -0.370 -21.742 3.552 1.00 0.00 C ATOM 1591 O SER A 899 0.503 -22.451 4.052 1.00 0.00 O ATOM 1592 CB SER A 899 1.257 -20.168 2.488 1.00 0.00 C ATOM 1593 OG SER A 899 1.512 -18.831 2.093 1.00 0.00 O ATOM 0 H SER A 899 0.637 -18.747 4.431 1.00 0.00 H new ATOM 0 HA SER A 899 -0.878 -19.928 2.538 1.00 0.00 H new ATOM 0 HB2 SER A 899 2.053 -20.514 3.147 1.00 0.00 H new ATOM 0 HB3 SER A 899 1.264 -20.817 1.612 1.00 0.00 H new ATOM 0 HG SER A 899 2.380 -18.784 1.640 1.00 0.00 H new ATOM 1599 N SER A 900 -1.595 -22.183 3.284 1.00 0.00 N ATOM 1600 CA SER A 900 -1.993 -23.556 3.572 1.00 0.00 C ATOM 1601 C SER A 900 -1.696 -24.468 2.386 1.00 0.00 C ATOM 1602 O SER A 900 -1.278 -25.612 2.558 1.00 0.00 O ATOM 1603 CB SER A 900 -3.483 -23.616 3.916 1.00 0.00 C ATOM 1604 OG SER A 900 -3.800 -24.816 4.600 1.00 0.00 O ATOM 0 H SER A 900 -2.329 -21.610 2.868 1.00 0.00 H new ATOM 0 HA SER A 900 -1.415 -23.904 4.429 1.00 0.00 H new ATOM 0 HB2 SER A 900 -3.752 -22.759 4.534 1.00 0.00 H new ATOM 0 HB3 SER A 900 -4.074 -23.547 3.002 1.00 0.00 H new ATOM 0 HG SER A 900 -4.757 -24.830 4.810 1.00 0.00 H new ATOM 1610 N GLY A 901 -1.916 -23.952 1.181 1.00 0.00 N ATOM 1611 CA GLY A 901 -1.667 -24.732 -0.017 1.00 0.00 C ATOM 1612 C GLY A 901 -0.194 -24.809 -0.364 1.00 0.00 C ATOM 1613 O GLY A 901 0.626 -25.202 0.466 1.00 0.00 O ATOM 0 H GLY A 901 -2.262 -23.007 1.013 1.00 0.00 H new ATOM 0 HA2 GLY A 901 -2.057 -25.740 0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 901 -2.211 -24.292 -0.853 1.00 0.00 H new TER 1617 GLY A 901