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 848 HIS :FLIP no HE2:sc=-0.00741 F(o=-0.57,f=-0.0074) USER MOD Set 1.2: A 891 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 845 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 892 ASN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Set 3.1: A 826 GLN : amide:sc= 0.0976 X(o=0.36,f=0.18) USER MOD Set 3.2: A 829 GLN : amide:sc= 0.263 K(o=0.36,f=-0.47) USER MOD Set 4.1: A 806 SER OG : rot 39:sc= 0.37 USER MOD Set 4.2: A 809 GLN : amide:sc= 0 X(o=0.37,f=0.37) 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 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= -3.51! C(o=-3.5!,f=-4.6!) USER MOD Single : A 819 SER OG : rot 180:sc= -0.195 USER MOD Single : A 820 THR OG1 : rot 26:sc= 0.162 USER MOD Single : A 821 THR OG1 : rot 180:sc= -0.053 USER MOD Single : A 830 TYR OH : rot 180:sc= 0 USER MOD Single : A 831 GLN : amide:sc= -0.0929 X(o=-0.093,f=-0.29) USER MOD Single : A 840 MET CE :methyl -152:sc= -4.12! (180deg=-6.12!) USER MOD Single : A 841 LYS NZ :NH3+ -122:sc= -0.99 (180deg=-2.29!) USER MOD Single : A 842 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 844 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 847 SER OG : rot -72:sc= 0.0107 USER MOD Single : A 849 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.25) USER MOD Single : A 853 SER OG : rot 180:sc= 0 USER MOD Single : A 856 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 857 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 858 GLN : amide:sc=-0.00359 K(o=-0.0036,f=-2) USER MOD Single : A 860 LYS NZ :NH3+ 156:sc= -0.179 (180deg=-0.941) USER MOD Single : A 864 LYS NZ :NH3+ 162:sc= -0.0246 (180deg=-0.395) 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 -96:sc= 1.11 USER MOD Single : A 880 TYR OH : rot 180:sc= 0 USER MOD Single : A 881 MET CE :methyl -169:sc= -4.85! (180deg=-5.11!) USER MOD Single : A 885 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 887 ASN : amide:sc= -2.6 K(o=-2.6,f=-4.3!) USER MOD Single : A 889 ASN : amide:sc= -0.189 K(o=-0.19,f=-3.1!) USER MOD Single : A 890 GLN : amide:sc= -1.1 K(o=-1.1,f=-1.6!) USER MOD Single : A 893 TYR OH : rot -106:sc= 0.455 USER MOD Single : A 896 SER OG : rot 43:sc= 0.0751 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 12.674 8.253 27.661 1.00 0.00 N ATOM 2 CA GLY A 801 14.020 7.755 27.874 1.00 0.00 C ATOM 3 C GLY A 801 14.611 8.226 29.188 1.00 0.00 C ATOM 4 O GLY A 801 15.755 8.677 29.236 1.00 0.00 O ATOM 0 HA2 GLY A 801 14.008 6.665 27.854 1.00 0.00 H new ATOM 0 HA3 GLY A 801 14.659 8.082 27.054 1.00 0.00 H new ATOM 8 N SER A 802 13.829 8.123 30.258 1.00 0.00 N ATOM 9 CA SER A 802 14.279 8.548 31.578 1.00 0.00 C ATOM 10 C SER A 802 13.376 7.980 32.669 1.00 0.00 C ATOM 11 O SER A 802 12.173 7.814 32.470 1.00 0.00 O ATOM 12 CB SER A 802 14.304 10.075 31.665 1.00 0.00 C ATOM 13 OG SER A 802 14.805 10.506 32.919 1.00 0.00 O ATOM 0 H SER A 802 12.880 7.749 30.236 1.00 0.00 H new ATOM 0 HA SER A 802 15.288 8.166 31.730 1.00 0.00 H new ATOM 0 HB2 SER A 802 14.924 10.478 30.864 1.00 0.00 H new ATOM 0 HB3 SER A 802 13.298 10.467 31.517 1.00 0.00 H new ATOM 0 HG SER A 802 14.813 11.486 32.949 1.00 0.00 H new ATOM 19 N SER A 803 13.966 7.684 33.823 1.00 0.00 N ATOM 20 CA SER A 803 13.217 7.131 34.945 1.00 0.00 C ATOM 21 C SER A 803 11.980 7.974 35.241 1.00 0.00 C ATOM 22 O SER A 803 12.069 9.190 35.404 1.00 0.00 O ATOM 23 CB SER A 803 14.104 7.053 36.189 1.00 0.00 C ATOM 24 OG SER A 803 13.514 6.236 37.186 1.00 0.00 O ATOM 0 H SER A 803 14.961 7.818 34.005 1.00 0.00 H new ATOM 0 HA SER A 803 12.894 6.126 34.674 1.00 0.00 H new ATOM 0 HB2 SER A 803 15.081 6.653 35.918 1.00 0.00 H new ATOM 0 HB3 SER A 803 14.268 8.055 36.586 1.00 0.00 H new ATOM 0 HG SER A 803 14.101 6.201 37.970 1.00 0.00 H new ATOM 30 N GLY A 804 10.826 7.317 35.308 1.00 0.00 N ATOM 31 CA GLY A 804 9.587 8.021 35.583 1.00 0.00 C ATOM 32 C GLY A 804 8.425 7.077 35.821 1.00 0.00 C ATOM 33 O GLY A 804 8.582 6.035 36.458 1.00 0.00 O ATOM 0 H GLY A 804 10.727 6.310 35.177 1.00 0.00 H new ATOM 0 HA2 GLY A 804 9.720 8.656 36.459 1.00 0.00 H new ATOM 0 HA3 GLY A 804 9.352 8.678 34.745 1.00 0.00 H new ATOM 37 N SER A 805 7.254 7.442 35.308 1.00 0.00 N ATOM 38 CA SER A 805 6.059 6.623 35.473 1.00 0.00 C ATOM 39 C SER A 805 5.728 6.436 36.950 1.00 0.00 C ATOM 40 O SER A 805 5.375 5.339 37.385 1.00 0.00 O ATOM 41 CB SER A 805 6.254 5.260 34.806 1.00 0.00 C ATOM 42 OG SER A 805 6.182 5.368 33.395 1.00 0.00 O ATOM 0 H SER A 805 7.108 8.299 34.775 1.00 0.00 H new ATOM 0 HA SER A 805 5.226 7.138 34.995 1.00 0.00 H new ATOM 0 HB2 SER A 805 7.220 4.846 35.093 1.00 0.00 H new ATOM 0 HB3 SER A 805 5.492 4.566 35.160 1.00 0.00 H new ATOM 0 HG SER A 805 6.311 4.484 32.992 1.00 0.00 H new ATOM 48 N SER A 806 5.844 7.515 37.718 1.00 0.00 N ATOM 49 CA SER A 806 5.561 7.470 39.147 1.00 0.00 C ATOM 50 C SER A 806 4.172 6.897 39.408 1.00 0.00 C ATOM 51 O SER A 806 3.164 7.471 38.999 1.00 0.00 O ATOM 52 CB SER A 806 5.670 8.871 39.754 1.00 0.00 C ATOM 53 OG SER A 806 4.824 9.786 39.079 1.00 0.00 O ATOM 0 H SER A 806 6.132 8.431 37.374 1.00 0.00 H new ATOM 0 HA SER A 806 6.298 6.819 39.618 1.00 0.00 H new ATOM 0 HB2 SER A 806 5.403 8.835 40.810 1.00 0.00 H new ATOM 0 HB3 SER A 806 6.702 9.216 39.698 1.00 0.00 H new ATOM 0 HG SER A 806 3.980 9.344 38.851 1.00 0.00 H new ATOM 59 N GLY A 807 4.127 5.758 40.094 1.00 0.00 N ATOM 60 CA GLY A 807 2.858 5.125 40.399 1.00 0.00 C ATOM 61 C GLY A 807 2.170 4.581 39.162 1.00 0.00 C ATOM 62 O GLY A 807 2.828 4.205 38.192 1.00 0.00 O ATOM 0 H GLY A 807 4.947 5.263 40.444 1.00 0.00 H new ATOM 0 HA2 GLY A 807 3.021 4.313 41.107 1.00 0.00 H new ATOM 0 HA3 GLY A 807 2.203 5.847 40.887 1.00 0.00 H new ATOM 66 N ILE A 808 0.842 4.538 39.197 1.00 0.00 N ATOM 67 CA ILE A 808 0.065 4.036 38.070 1.00 0.00 C ATOM 68 C ILE A 808 -0.969 5.060 37.616 1.00 0.00 C ATOM 69 O ILE A 808 -2.109 4.711 37.311 1.00 0.00 O ATOM 70 CB ILE A 808 -0.653 2.720 38.424 1.00 0.00 C ATOM 71 CG1 ILE A 808 -1.647 2.947 39.565 1.00 0.00 C ATOM 72 CG2 ILE A 808 0.360 1.649 38.801 1.00 0.00 C ATOM 73 CD1 ILE A 808 -2.766 1.930 39.602 1.00 0.00 C ATOM 0 H ILE A 808 0.282 4.844 39.993 1.00 0.00 H new ATOM 0 HA ILE A 808 0.769 3.850 37.259 1.00 0.00 H new ATOM 0 HB ILE A 808 -1.206 2.378 37.549 1.00 0.00 H new ATOM 0 HG12 ILE A 808 -1.111 2.920 40.514 1.00 0.00 H new ATOM 0 HG13 ILE A 808 -2.076 3.944 39.469 1.00 0.00 H new ATOM 0 HG21 ILE A 808 -0.163 0.725 39.049 1.00 0.00 H new ATOM 0 HG22 ILE A 808 1.032 1.472 37.961 1.00 0.00 H new ATOM 0 HG23 ILE A 808 0.937 1.982 39.664 1.00 0.00 H new ATOM 0 HD11 ILE A 808 -3.432 2.152 40.436 1.00 0.00 H new ATOM 0 HD12 ILE A 808 -3.327 1.972 38.668 1.00 0.00 H new ATOM 0 HD13 ILE A 808 -2.347 0.932 39.729 1.00 0.00 H new ATOM 85 N GLN A 809 -0.562 6.324 37.572 1.00 0.00 N ATOM 86 CA GLN A 809 -1.453 7.399 37.153 1.00 0.00 C ATOM 87 C GLN A 809 -2.070 7.096 35.791 1.00 0.00 C ATOM 88 O GLN A 809 -1.536 6.297 35.022 1.00 0.00 O ATOM 89 CB GLN A 809 -0.696 8.727 37.098 1.00 0.00 C ATOM 90 CG GLN A 809 -0.444 9.341 38.465 1.00 0.00 C ATOM 91 CD GLN A 809 0.314 10.651 38.387 1.00 0.00 C ATOM 92 OE1 GLN A 809 1.504 10.713 38.695 1.00 0.00 O ATOM 93 NE2 GLN A 809 -0.374 11.709 37.972 1.00 0.00 N ATOM 0 H GLN A 809 0.379 6.629 37.821 1.00 0.00 H new ATOM 0 HA GLN A 809 -2.256 7.477 37.886 1.00 0.00 H new ATOM 0 HB2 GLN A 809 0.260 8.570 36.598 1.00 0.00 H new ATOM 0 HB3 GLN A 809 -1.262 9.433 36.491 1.00 0.00 H new ATOM 0 HG2 GLN A 809 -1.398 9.507 38.966 1.00 0.00 H new ATOM 0 HG3 GLN A 809 0.119 8.636 39.077 1.00 0.00 H new ATOM 0 HE21 GLN A 809 -1.359 11.612 37.727 1.00 0.00 H new ATOM 0 HE22 GLN A 809 0.083 12.618 37.899 1.00 0.00 H new ATOM 102 N MET A 810 -3.197 7.738 35.501 1.00 0.00 N ATOM 103 CA MET A 810 -3.885 7.536 34.231 1.00 0.00 C ATOM 104 C MET A 810 -4.327 8.869 33.635 1.00 0.00 C ATOM 105 O MET A 810 -4.744 9.776 34.355 1.00 0.00 O ATOM 106 CB MET A 810 -5.098 6.624 34.423 1.00 0.00 C ATOM 107 CG MET A 810 -4.736 5.221 34.882 1.00 0.00 C ATOM 108 SD MET A 810 -4.199 4.162 33.525 1.00 0.00 S ATOM 109 CE MET A 810 -3.267 2.918 34.414 1.00 0.00 C ATOM 0 H MET A 810 -3.653 8.402 36.127 1.00 0.00 H new ATOM 0 HA MET A 810 -3.188 7.061 33.540 1.00 0.00 H new ATOM 0 HB2 MET A 810 -5.769 7.075 35.154 1.00 0.00 H new ATOM 0 HB3 MET A 810 -5.647 6.560 33.483 1.00 0.00 H new ATOM 0 HG2 MET A 810 -3.943 5.280 35.627 1.00 0.00 H new ATOM 0 HG3 MET A 810 -5.599 4.769 35.371 1.00 0.00 H new ATOM 0 HE1 MET A 810 -2.869 2.188 33.709 1.00 0.00 H new ATOM 0 HE2 MET A 810 -2.444 3.393 34.948 1.00 0.00 H new ATOM 0 HE3 MET A 810 -3.920 2.415 35.127 1.00 0.00 H new ATOM 119 N LYS A 811 -4.231 8.982 32.314 1.00 0.00 N ATOM 120 CA LYS A 811 -4.621 10.203 31.620 1.00 0.00 C ATOM 121 C LYS A 811 -5.838 9.960 30.733 1.00 0.00 C ATOM 122 O LYS A 811 -5.972 8.898 30.126 1.00 0.00 O ATOM 123 CB LYS A 811 -3.458 10.728 30.775 1.00 0.00 C ATOM 124 CG LYS A 811 -3.763 12.036 30.066 1.00 0.00 C ATOM 125 CD LYS A 811 -3.524 13.231 30.974 1.00 0.00 C ATOM 126 CE LYS A 811 -4.105 14.506 30.381 1.00 0.00 C ATOM 127 NZ LYS A 811 -3.585 15.722 31.065 1.00 0.00 N ATOM 0 H LYS A 811 -3.886 8.242 31.703 1.00 0.00 H new ATOM 0 HA LYS A 811 -4.883 10.949 32.370 1.00 0.00 H new ATOM 0 HB2 LYS A 811 -2.588 10.866 31.416 1.00 0.00 H new ATOM 0 HB3 LYS A 811 -3.191 9.976 30.033 1.00 0.00 H new ATOM 0 HG2 LYS A 811 -3.139 12.123 29.177 1.00 0.00 H new ATOM 0 HG3 LYS A 811 -4.800 12.035 29.729 1.00 0.00 H new ATOM 0 HD2 LYS A 811 -3.974 13.044 31.949 1.00 0.00 H new ATOM 0 HD3 LYS A 811 -2.454 13.358 31.136 1.00 0.00 H new ATOM 0 HE2 LYS A 811 -3.864 14.555 29.319 1.00 0.00 H new ATOM 0 HE3 LYS A 811 -5.192 14.481 30.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 811 -4.004 16.570 30.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 811 -3.837 15.687 32.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 811 -2.550 15.759 30.968 1.00 0.00 H new ATOM 141 N GLU A 812 -6.721 10.952 30.663 1.00 0.00 N ATOM 142 CA GLU A 812 -7.926 10.844 29.849 1.00 0.00 C ATOM 143 C GLU A 812 -7.691 11.408 28.451 1.00 0.00 C ATOM 144 O GLU A 812 -6.624 11.947 28.157 1.00 0.00 O ATOM 145 CB GLU A 812 -9.088 11.580 30.519 1.00 0.00 C ATOM 146 CG GLU A 812 -9.375 11.105 31.934 1.00 0.00 C ATOM 147 CD GLU A 812 -8.285 11.497 32.913 1.00 0.00 C ATOM 148 OE1 GLU A 812 -7.575 12.488 32.645 1.00 0.00 O ATOM 149 OE2 GLU A 812 -8.143 10.811 33.947 1.00 0.00 O ATOM 0 H GLU A 812 -6.624 11.838 31.159 1.00 0.00 H new ATOM 0 HA GLU A 812 -8.178 9.788 29.758 1.00 0.00 H new ATOM 0 HB2 GLU A 812 -8.867 12.647 30.541 1.00 0.00 H new ATOM 0 HB3 GLU A 812 -9.985 11.453 29.913 1.00 0.00 H new ATOM 0 HG2 GLU A 812 -10.325 11.522 32.268 1.00 0.00 H new ATOM 0 HG3 GLU A 812 -9.485 10.021 31.934 1.00 0.00 H new ATOM 156 N THR A 813 -8.697 11.280 27.590 1.00 0.00 N ATOM 157 CA THR A 813 -8.600 11.774 26.223 1.00 0.00 C ATOM 158 C THR A 813 -9.680 12.810 25.935 1.00 0.00 C ATOM 159 O THR A 813 -10.816 12.682 26.394 1.00 0.00 O ATOM 160 CB THR A 813 -8.720 10.628 25.201 1.00 0.00 C ATOM 161 OG1 THR A 813 -9.942 9.912 25.409 1.00 0.00 O ATOM 162 CG2 THR A 813 -7.541 9.673 25.318 1.00 0.00 C ATOM 0 H THR A 813 -9.588 10.838 27.816 1.00 0.00 H new ATOM 0 HA THR A 813 -7.619 12.238 26.124 1.00 0.00 H new ATOM 0 HB THR A 813 -8.719 11.061 24.201 1.00 0.00 H new ATOM 0 HG1 THR A 813 -10.011 9.186 24.754 1.00 0.00 H new ATOM 0 HG21 THR A 813 -7.648 8.872 24.586 1.00 0.00 H new ATOM 0 HG22 THR A 813 -6.614 10.215 25.130 1.00 0.00 H new ATOM 0 HG23 THR A 813 -7.516 9.247 26.321 1.00 0.00 H new ATOM 170 N VAL A 814 -9.320 13.838 25.173 1.00 0.00 N ATOM 171 CA VAL A 814 -10.260 14.896 24.823 1.00 0.00 C ATOM 172 C VAL A 814 -10.706 14.777 23.369 1.00 0.00 C ATOM 173 O VAL A 814 -9.879 14.731 22.459 1.00 0.00 O ATOM 174 CB VAL A 814 -9.644 16.290 25.046 1.00 0.00 C ATOM 175 CG1 VAL A 814 -9.318 16.500 26.517 1.00 0.00 C ATOM 176 CG2 VAL A 814 -8.403 16.468 24.185 1.00 0.00 C ATOM 0 H VAL A 814 -8.384 13.960 24.786 1.00 0.00 H new ATOM 0 HA VAL A 814 -11.125 14.780 25.476 1.00 0.00 H new ATOM 0 HB VAL A 814 -10.374 17.043 24.749 1.00 0.00 H new ATOM 0 HG11 VAL A 814 -8.884 17.490 26.656 1.00 0.00 H new ATOM 0 HG12 VAL A 814 -10.231 16.418 27.107 1.00 0.00 H new ATOM 0 HG13 VAL A 814 -8.606 15.742 26.844 1.00 0.00 H new ATOM 0 HG21 VAL A 814 -7.981 17.458 24.355 1.00 0.00 H new ATOM 0 HG22 VAL A 814 -7.666 15.709 24.448 1.00 0.00 H new ATOM 0 HG23 VAL A 814 -8.672 16.364 23.134 1.00 0.00 H new ATOM 186 N GLU A 815 -12.017 14.727 23.161 1.00 0.00 N ATOM 187 CA GLU A 815 -12.573 14.613 21.817 1.00 0.00 C ATOM 188 C GLU A 815 -12.507 15.950 21.085 1.00 0.00 C ATOM 189 O GLU A 815 -13.392 16.792 21.230 1.00 0.00 O ATOM 190 CB GLU A 815 -14.021 14.124 21.880 1.00 0.00 C ATOM 191 CG GLU A 815 -14.149 12.621 22.058 1.00 0.00 C ATOM 192 CD GLU A 815 -15.417 12.066 21.439 1.00 0.00 C ATOM 193 OE1 GLU A 815 -16.516 12.426 21.911 1.00 0.00 O ATOM 194 OE2 GLU A 815 -15.311 11.271 20.482 1.00 0.00 O ATOM 0 H GLU A 815 -12.714 14.764 23.905 1.00 0.00 H new ATOM 0 HA GLU A 815 -11.976 13.887 21.265 1.00 0.00 H new ATOM 0 HB2 GLU A 815 -14.529 14.624 22.705 1.00 0.00 H new ATOM 0 HB3 GLU A 815 -14.535 14.418 20.965 1.00 0.00 H new ATOM 0 HG2 GLU A 815 -13.285 12.131 21.609 1.00 0.00 H new ATOM 0 HG3 GLU A 815 -14.134 12.382 23.121 1.00 0.00 H new ATOM 201 N GLU A 816 -11.450 16.137 20.300 1.00 0.00 N ATOM 202 CA GLU A 816 -11.268 17.372 19.547 1.00 0.00 C ATOM 203 C GLU A 816 -10.762 17.080 18.137 1.00 0.00 C ATOM 204 O GLU A 816 -10.114 16.062 17.898 1.00 0.00 O ATOM 205 CB GLU A 816 -10.287 18.297 20.271 1.00 0.00 C ATOM 206 CG GLU A 816 -10.916 19.079 21.412 1.00 0.00 C ATOM 207 CD GLU A 816 -10.011 20.176 21.936 1.00 0.00 C ATOM 208 OE1 GLU A 816 -9.432 20.912 21.110 1.00 0.00 O ATOM 209 OE2 GLU A 816 -9.882 20.300 23.172 1.00 0.00 O ATOM 0 H GLU A 816 -10.708 15.450 20.169 1.00 0.00 H new ATOM 0 HA GLU A 816 -12.236 17.868 19.472 1.00 0.00 H new ATOM 0 HB2 GLU A 816 -9.461 17.703 20.661 1.00 0.00 H new ATOM 0 HB3 GLU A 816 -9.863 18.998 19.552 1.00 0.00 H new ATOM 0 HG2 GLU A 816 -11.854 19.518 21.073 1.00 0.00 H new ATOM 0 HG3 GLU A 816 -11.160 18.395 22.225 1.00 0.00 H new ATOM 216 N GLN A 817 -11.065 17.981 17.208 1.00 0.00 N ATOM 217 CA GLN A 817 -10.642 17.820 15.822 1.00 0.00 C ATOM 218 C GLN A 817 -9.707 18.949 15.403 1.00 0.00 C ATOM 219 O GLN A 817 -10.150 20.062 15.120 1.00 0.00 O ATOM 220 CB GLN A 817 -11.860 17.780 14.897 1.00 0.00 C ATOM 221 CG GLN A 817 -12.688 16.513 15.035 1.00 0.00 C ATOM 222 CD GLN A 817 -13.092 16.234 16.469 1.00 0.00 C ATOM 223 OE1 GLN A 817 -12.598 15.295 17.095 1.00 0.00 O ATOM 224 NE2 GLN A 817 -13.997 17.049 16.999 1.00 0.00 N ATOM 0 H GLN A 817 -11.601 18.829 17.390 1.00 0.00 H new ATOM 0 HA GLN A 817 -10.101 16.877 15.741 1.00 0.00 H new ATOM 0 HB2 GLN A 817 -12.493 18.642 15.106 1.00 0.00 H new ATOM 0 HB3 GLN A 817 -11.525 17.874 13.864 1.00 0.00 H new ATOM 0 HG2 GLN A 817 -13.583 16.600 14.419 1.00 0.00 H new ATOM 0 HG3 GLN A 817 -12.118 15.667 14.651 1.00 0.00 H new ATOM 0 HE21 GLN A 817 -14.380 17.815 16.445 1.00 0.00 H new ATOM 0 HE22 GLN A 817 -14.309 16.909 17.960 1.00 0.00 H new ATOM 233 N ALA A 818 -8.412 18.655 15.365 1.00 0.00 N ATOM 234 CA ALA A 818 -7.414 19.646 14.979 1.00 0.00 C ATOM 235 C ALA A 818 -6.525 19.121 13.857 1.00 0.00 C ATOM 236 O ALA A 818 -6.546 17.931 13.541 1.00 0.00 O ATOM 237 CB ALA A 818 -6.571 20.043 16.182 1.00 0.00 C ATOM 0 H ALA A 818 -8.029 17.739 15.597 1.00 0.00 H new ATOM 0 HA ALA A 818 -7.937 20.528 14.610 1.00 0.00 H new ATOM 0 HB1 ALA A 818 -5.830 20.783 15.879 1.00 0.00 H new ATOM 0 HB2 ALA A 818 -7.214 20.468 16.953 1.00 0.00 H new ATOM 0 HB3 ALA A 818 -6.064 19.163 16.577 1.00 0.00 H new ATOM 243 N SER A 819 -5.745 20.015 13.259 1.00 0.00 N ATOM 244 CA SER A 819 -4.851 19.642 12.168 1.00 0.00 C ATOM 245 C SER A 819 -3.550 19.057 12.709 1.00 0.00 C ATOM 246 O SER A 819 -3.137 17.965 12.318 1.00 0.00 O ATOM 247 CB SER A 819 -4.550 20.858 11.289 1.00 0.00 C ATOM 248 OG SER A 819 -3.887 21.869 12.027 1.00 0.00 O ATOM 0 H SER A 819 -5.713 21.003 13.511 1.00 0.00 H new ATOM 0 HA SER A 819 -5.349 18.882 11.566 1.00 0.00 H new ATOM 0 HB2 SER A 819 -3.932 20.556 10.444 1.00 0.00 H new ATOM 0 HB3 SER A 819 -5.479 21.253 10.879 1.00 0.00 H new ATOM 0 HG SER A 819 -3.704 22.634 11.443 1.00 0.00 H new ATOM 254 N THR A 820 -2.908 19.791 13.611 1.00 0.00 N ATOM 255 CA THR A 820 -1.653 19.347 14.206 1.00 0.00 C ATOM 256 C THR A 820 -1.903 18.505 15.451 1.00 0.00 C ATOM 257 O THR A 820 -2.655 18.902 16.342 1.00 0.00 O ATOM 258 CB THR A 820 -0.754 20.541 14.579 1.00 0.00 C ATOM 259 OG1 THR A 820 -1.394 21.342 15.579 1.00 0.00 O ATOM 260 CG2 THR A 820 -0.453 21.394 13.356 1.00 0.00 C ATOM 0 H THR A 820 -3.236 20.697 13.946 1.00 0.00 H new ATOM 0 HA THR A 820 -1.145 18.740 13.456 1.00 0.00 H new ATOM 0 HB THR A 820 0.185 20.152 14.972 1.00 0.00 H new ATOM 0 HG1 THR A 820 -2.015 20.787 16.095 1.00 0.00 H new ATOM 0 HG21 THR A 820 0.183 22.231 13.644 1.00 0.00 H new ATOM 0 HG22 THR A 820 0.059 20.789 12.608 1.00 0.00 H new ATOM 0 HG23 THR A 820 -1.386 21.774 12.939 1.00 0.00 H new ATOM 268 N THR A 821 -1.266 17.339 15.509 1.00 0.00 N ATOM 269 CA THR A 821 -1.420 16.440 16.646 1.00 0.00 C ATOM 270 C THR A 821 -0.152 15.627 16.879 1.00 0.00 C ATOM 271 O THR A 821 0.833 15.775 16.156 1.00 0.00 O ATOM 272 CB THR A 821 -2.604 15.476 16.444 1.00 0.00 C ATOM 273 OG1 THR A 821 -2.751 14.634 17.593 1.00 0.00 O ATOM 274 CG2 THR A 821 -2.399 14.619 15.204 1.00 0.00 C ATOM 0 H THR A 821 -0.639 16.996 14.782 1.00 0.00 H new ATOM 0 HA THR A 821 -1.614 17.064 17.518 1.00 0.00 H new ATOM 0 HB THR A 821 -3.509 16.069 16.310 1.00 0.00 H new ATOM 0 HG1 THR A 821 -3.507 14.025 17.458 1.00 0.00 H new ATOM 0 HG21 THR A 821 -3.248 13.946 15.082 1.00 0.00 H new ATOM 0 HG22 THR A 821 -2.316 15.261 14.327 1.00 0.00 H new ATOM 0 HG23 THR A 821 -1.486 14.034 15.313 1.00 0.00 H new ATOM 282 N GLU A 822 -0.183 14.768 17.893 1.00 0.00 N ATOM 283 CA GLU A 822 0.966 13.932 18.221 1.00 0.00 C ATOM 284 C GLU A 822 0.775 12.513 17.691 1.00 0.00 C ATOM 285 O GLU A 822 1.719 11.887 17.209 1.00 0.00 O ATOM 286 CB GLU A 822 1.185 13.898 19.735 1.00 0.00 C ATOM 287 CG GLU A 822 0.018 13.305 20.505 1.00 0.00 C ATOM 288 CD GLU A 822 0.008 13.724 21.963 1.00 0.00 C ATOM 289 OE1 GLU A 822 0.146 14.935 22.232 1.00 0.00 O ATOM 290 OE2 GLU A 822 -0.139 12.841 22.833 1.00 0.00 O ATOM 0 H GLU A 822 -0.991 14.633 18.501 1.00 0.00 H new ATOM 0 HA GLU A 822 1.846 14.364 17.744 1.00 0.00 H new ATOM 0 HB2 GLU A 822 2.083 13.320 19.951 1.00 0.00 H new ATOM 0 HB3 GLU A 822 1.366 14.912 20.090 1.00 0.00 H new ATOM 0 HG2 GLU A 822 -0.916 13.613 20.036 1.00 0.00 H new ATOM 0 HG3 GLU A 822 0.062 12.218 20.444 1.00 0.00 H new ATOM 297 N ARG A 823 -0.453 12.013 17.786 1.00 0.00 N ATOM 298 CA ARG A 823 -0.768 10.669 17.318 1.00 0.00 C ATOM 299 C ARG A 823 -0.470 10.527 15.828 1.00 0.00 C ATOM 300 O ARG A 823 -0.274 9.421 15.326 1.00 0.00 O ATOM 301 CB ARG A 823 -2.238 10.343 17.589 1.00 0.00 C ATOM 302 CG ARG A 823 -2.543 8.854 17.583 1.00 0.00 C ATOM 303 CD ARG A 823 -2.173 8.204 18.906 1.00 0.00 C ATOM 304 NE ARG A 823 -3.129 8.527 19.961 1.00 0.00 N ATOM 305 CZ ARG A 823 -2.833 8.497 21.256 1.00 0.00 C ATOM 306 NH1 ARG A 823 -1.613 8.162 21.653 1.00 0.00 N ATOM 307 NH2 ARG A 823 -3.758 8.804 22.157 1.00 0.00 N ATOM 0 H ARG A 823 -1.245 12.518 18.183 1.00 0.00 H new ATOM 0 HA ARG A 823 -0.140 9.965 17.864 1.00 0.00 H new ATOM 0 HB2 ARG A 823 -2.521 10.759 18.556 1.00 0.00 H new ATOM 0 HB3 ARG A 823 -2.855 10.835 16.837 1.00 0.00 H new ATOM 0 HG2 ARG A 823 -3.604 8.700 17.385 1.00 0.00 H new ATOM 0 HG3 ARG A 823 -1.994 8.372 16.774 1.00 0.00 H new ATOM 0 HD2 ARG A 823 -2.126 7.123 18.778 1.00 0.00 H new ATOM 0 HD3 ARG A 823 -1.178 8.533 19.206 1.00 0.00 H new ATOM 0 HE ARG A 823 -4.076 8.790 19.689 1.00 0.00 H new ATOM 0 HH11 ARG A 823 -0.899 7.927 20.964 1.00 0.00 H new ATOM 0 HH12 ARG A 823 -1.388 8.140 22.648 1.00 0.00 H new ATOM 0 HH21 ARG A 823 -4.697 9.063 21.856 1.00 0.00 H new ATOM 0 HH22 ARG A 823 -3.530 8.781 23.151 1.00 0.00 H new ATOM 321 N VAL A 824 -0.439 11.656 15.127 1.00 0.00 N ATOM 322 CA VAL A 824 -0.166 11.658 13.695 1.00 0.00 C ATOM 323 C VAL A 824 1.300 11.347 13.415 1.00 0.00 C ATOM 324 O VAL A 824 1.701 11.175 12.263 1.00 0.00 O ATOM 325 CB VAL A 824 -0.521 13.015 13.058 1.00 0.00 C ATOM 326 CG1 VAL A 824 0.432 14.098 13.540 1.00 0.00 C ATOM 327 CG2 VAL A 824 -0.500 12.912 11.540 1.00 0.00 C ATOM 0 H VAL A 824 -0.599 12.580 15.527 1.00 0.00 H new ATOM 0 HA VAL A 824 -0.791 10.882 13.253 1.00 0.00 H new ATOM 0 HB VAL A 824 -1.530 13.289 13.368 1.00 0.00 H new ATOM 0 HG11 VAL A 824 0.165 15.049 13.079 1.00 0.00 H new ATOM 0 HG12 VAL A 824 0.362 14.188 14.624 1.00 0.00 H new ATOM 0 HG13 VAL A 824 1.453 13.834 13.263 1.00 0.00 H new ATOM 0 HG21 VAL A 824 -0.753 13.879 11.106 1.00 0.00 H new ATOM 0 HG22 VAL A 824 0.495 12.615 11.209 1.00 0.00 H new ATOM 0 HG23 VAL A 824 -1.227 12.168 11.216 1.00 0.00 H new ATOM 337 N PHE A 825 2.097 11.273 14.476 1.00 0.00 N ATOM 338 CA PHE A 825 3.520 10.982 14.345 1.00 0.00 C ATOM 339 C PHE A 825 3.761 9.479 14.248 1.00 0.00 C ATOM 340 O PHE A 825 4.586 9.023 13.457 1.00 0.00 O ATOM 341 CB PHE A 825 4.291 11.558 15.535 1.00 0.00 C ATOM 342 CG PHE A 825 5.660 10.963 15.705 1.00 0.00 C ATOM 343 CD1 PHE A 825 5.816 9.689 16.225 1.00 0.00 C ATOM 344 CD2 PHE A 825 6.790 11.679 15.346 1.00 0.00 C ATOM 345 CE1 PHE A 825 7.075 9.140 16.384 1.00 0.00 C ATOM 346 CE2 PHE A 825 8.052 11.135 15.502 1.00 0.00 C ATOM 347 CZ PHE A 825 8.194 9.863 16.021 1.00 0.00 C ATOM 0 H PHE A 825 1.781 11.411 15.436 1.00 0.00 H new ATOM 0 HA PHE A 825 3.878 11.449 13.428 1.00 0.00 H new ATOM 0 HB2 PHE A 825 4.385 12.637 15.409 1.00 0.00 H new ATOM 0 HB3 PHE A 825 3.715 11.392 16.446 1.00 0.00 H new ATOM 0 HD1 PHE A 825 4.945 9.118 16.509 1.00 0.00 H new ATOM 0 HD2 PHE A 825 6.684 12.674 14.939 1.00 0.00 H new ATOM 0 HE1 PHE A 825 7.183 8.146 16.792 1.00 0.00 H new ATOM 0 HE2 PHE A 825 8.925 11.704 15.218 1.00 0.00 H new ATOM 0 HZ PHE A 825 9.178 9.435 16.143 1.00 0.00 H new ATOM 357 N GLN A 826 3.034 8.715 15.058 1.00 0.00 N ATOM 358 CA GLN A 826 3.170 7.264 15.064 1.00 0.00 C ATOM 359 C GLN A 826 2.715 6.669 13.735 1.00 0.00 C ATOM 360 O GLN A 826 3.454 5.921 13.094 1.00 0.00 O ATOM 361 CB GLN A 826 2.358 6.659 16.211 1.00 0.00 C ATOM 362 CG GLN A 826 3.031 6.789 17.567 1.00 0.00 C ATOM 363 CD GLN A 826 4.180 5.817 17.744 1.00 0.00 C ATOM 364 OE1 GLN A 826 3.974 4.644 18.058 1.00 0.00 O ATOM 365 NE2 GLN A 826 5.401 6.299 17.543 1.00 0.00 N ATOM 0 H GLN A 826 2.346 9.077 15.718 1.00 0.00 H new ATOM 0 HA GLN A 826 4.224 7.024 15.207 1.00 0.00 H new ATOM 0 HB2 GLN A 826 1.383 7.145 16.251 1.00 0.00 H new ATOM 0 HB3 GLN A 826 2.180 5.604 16.002 1.00 0.00 H new ATOM 0 HG2 GLN A 826 3.400 7.807 17.689 1.00 0.00 H new ATOM 0 HG3 GLN A 826 2.294 6.621 18.352 1.00 0.00 H new ATOM 0 HE21 GLN A 826 5.527 7.278 17.284 1.00 0.00 H new ATOM 0 HE22 GLN A 826 6.213 5.691 17.648 1.00 0.00 H new ATOM 374 N ASP A 827 1.497 7.006 13.327 1.00 0.00 N ATOM 375 CA ASP A 827 0.944 6.506 12.074 1.00 0.00 C ATOM 376 C ASP A 827 2.037 6.352 11.021 1.00 0.00 C ATOM 377 O ASP A 827 2.021 5.410 10.229 1.00 0.00 O ATOM 378 CB ASP A 827 -0.146 7.448 11.561 1.00 0.00 C ATOM 379 CG ASP A 827 -0.485 7.202 10.104 1.00 0.00 C ATOM 380 OD1 ASP A 827 -0.404 6.036 9.664 1.00 0.00 O ATOM 381 OD2 ASP A 827 -0.829 8.177 9.402 1.00 0.00 O ATOM 0 H ASP A 827 0.873 7.624 13.846 1.00 0.00 H new ATOM 0 HA ASP A 827 0.506 5.526 12.264 1.00 0.00 H new ATOM 0 HB2 ASP A 827 -1.044 7.323 12.166 1.00 0.00 H new ATOM 0 HB3 ASP A 827 0.182 8.480 11.686 1.00 0.00 H new ATOM 386 N ARG A 828 2.985 7.284 11.019 1.00 0.00 N ATOM 387 CA ARG A 828 4.085 7.252 10.062 1.00 0.00 C ATOM 388 C ARG A 828 4.914 5.982 10.228 1.00 0.00 C ATOM 389 O ARG A 828 4.851 5.076 9.397 1.00 0.00 O ATOM 390 CB ARG A 828 4.976 8.483 10.237 1.00 0.00 C ATOM 391 CG ARG A 828 6.211 8.472 9.350 1.00 0.00 C ATOM 392 CD ARG A 828 6.836 9.854 9.249 1.00 0.00 C ATOM 393 NE ARG A 828 7.766 10.116 10.345 1.00 0.00 N ATOM 394 CZ ARG A 828 8.678 11.081 10.320 1.00 0.00 C ATOM 395 NH1 ARG A 828 8.783 11.871 9.261 1.00 0.00 N ATOM 396 NH2 ARG A 828 9.488 11.256 11.356 1.00 0.00 N ATOM 0 H ARG A 828 3.013 8.070 11.669 1.00 0.00 H new ATOM 0 HA ARG A 828 3.661 7.259 9.058 1.00 0.00 H new ATOM 0 HB2 ARG A 828 4.392 9.378 10.021 1.00 0.00 H new ATOM 0 HB3 ARG A 828 5.288 8.550 11.279 1.00 0.00 H new ATOM 0 HG2 ARG A 828 6.942 7.769 9.750 1.00 0.00 H new ATOM 0 HG3 ARG A 828 5.942 8.119 8.354 1.00 0.00 H new ATOM 0 HD2 ARG A 828 7.361 9.946 8.298 1.00 0.00 H new ATOM 0 HD3 ARG A 828 6.050 10.609 9.253 1.00 0.00 H new ATOM 0 HE ARG A 828 7.712 9.525 11.175 1.00 0.00 H new ATOM 0 HH11 ARG A 828 8.162 11.739 8.462 1.00 0.00 H new ATOM 0 HH12 ARG A 828 9.484 12.611 9.245 1.00 0.00 H new ATOM 0 HH21 ARG A 828 9.410 10.649 12.172 1.00 0.00 H new ATOM 0 HH22 ARG A 828 10.188 11.997 11.336 1.00 0.00 H new ATOM 410 N GLN A 829 5.690 5.925 11.305 1.00 0.00 N ATOM 411 CA GLN A 829 6.532 4.767 11.579 1.00 0.00 C ATOM 412 C GLN A 829 5.806 3.471 11.231 1.00 0.00 C ATOM 413 O GLN A 829 6.425 2.496 10.803 1.00 0.00 O ATOM 414 CB GLN A 829 6.952 4.751 13.050 1.00 0.00 C ATOM 415 CG GLN A 829 5.846 4.306 13.993 1.00 0.00 C ATOM 416 CD GLN A 829 6.379 3.794 15.317 1.00 0.00 C ATOM 417 OE1 GLN A 829 7.507 4.100 15.706 1.00 0.00 O ATOM 418 NE2 GLN A 829 5.569 3.008 16.017 1.00 0.00 N ATOM 0 H GLN A 829 5.753 6.667 12.002 1.00 0.00 H new ATOM 0 HA GLN A 829 7.423 4.842 10.955 1.00 0.00 H new ATOM 0 HB2 GLN A 829 7.808 4.086 13.168 1.00 0.00 H new ATOM 0 HB3 GLN A 829 7.282 5.750 13.336 1.00 0.00 H new ATOM 0 HG2 GLN A 829 5.171 5.142 14.176 1.00 0.00 H new ATOM 0 HG3 GLN A 829 5.259 3.522 13.514 1.00 0.00 H new ATOM 0 HE21 GLN A 829 4.642 2.780 15.657 1.00 0.00 H new ATOM 0 HE22 GLN A 829 5.874 2.632 16.915 1.00 0.00 H new ATOM 427 N TYR A 830 4.491 3.468 11.418 1.00 0.00 N ATOM 428 CA TYR A 830 3.681 2.291 11.127 1.00 0.00 C ATOM 429 C TYR A 830 3.552 2.077 9.621 1.00 0.00 C ATOM 430 O TYR A 830 3.594 0.945 9.140 1.00 0.00 O ATOM 431 CB TYR A 830 2.292 2.434 11.753 1.00 0.00 C ATOM 432 CG TYR A 830 2.258 2.110 13.229 1.00 0.00 C ATOM 433 CD1 TYR A 830 2.286 0.793 13.671 1.00 0.00 C ATOM 434 CD2 TYR A 830 2.196 3.119 14.181 1.00 0.00 C ATOM 435 CE1 TYR A 830 2.253 0.491 15.019 1.00 0.00 C ATOM 436 CE2 TYR A 830 2.164 2.827 15.531 1.00 0.00 C ATOM 437 CZ TYR A 830 2.193 1.512 15.945 1.00 0.00 C ATOM 438 OH TYR A 830 2.161 1.217 17.289 1.00 0.00 O ATOM 0 H TYR A 830 3.963 4.267 11.770 1.00 0.00 H new ATOM 0 HA TYR A 830 4.179 1.423 11.558 1.00 0.00 H new ATOM 0 HB2 TYR A 830 1.939 3.455 11.605 1.00 0.00 H new ATOM 0 HB3 TYR A 830 1.597 1.778 11.229 1.00 0.00 H new ATOM 0 HD1 TYR A 830 2.334 -0.008 12.949 1.00 0.00 H new ATOM 0 HD2 TYR A 830 2.172 4.150 13.861 1.00 0.00 H new ATOM 0 HE1 TYR A 830 2.274 -0.538 15.346 1.00 0.00 H new ATOM 0 HE2 TYR A 830 2.117 3.624 16.258 1.00 0.00 H new ATOM 0 HH TYR A 830 2.120 2.049 17.806 1.00 0.00 H new ATOM 448 N GLN A 831 3.397 3.173 8.886 1.00 0.00 N ATOM 449 CA GLN A 831 3.263 3.106 7.435 1.00 0.00 C ATOM 450 C GLN A 831 4.537 2.564 6.795 1.00 0.00 C ATOM 451 O GLN A 831 4.488 1.896 5.761 1.00 0.00 O ATOM 452 CB GLN A 831 2.941 4.489 6.867 1.00 0.00 C ATOM 453 CG GLN A 831 1.512 4.937 7.130 1.00 0.00 C ATOM 454 CD GLN A 831 1.007 5.916 6.089 1.00 0.00 C ATOM 455 OE1 GLN A 831 0.956 5.604 4.899 1.00 0.00 O ATOM 456 NE2 GLN A 831 0.629 7.110 6.532 1.00 0.00 N ATOM 0 H GLN A 831 3.361 4.117 9.270 1.00 0.00 H new ATOM 0 HA GLN A 831 2.444 2.426 7.202 1.00 0.00 H new ATOM 0 HB2 GLN A 831 3.627 5.218 7.298 1.00 0.00 H new ATOM 0 HB3 GLN A 831 3.118 4.481 5.792 1.00 0.00 H new ATOM 0 HG2 GLN A 831 0.859 4.064 7.149 1.00 0.00 H new ATOM 0 HG3 GLN A 831 1.456 5.399 8.116 1.00 0.00 H new ATOM 0 HE21 GLN A 831 0.688 7.327 7.527 1.00 0.00 H new ATOM 0 HE22 GLN A 831 0.280 7.810 5.877 1.00 0.00 H new ATOM 465 N ILE A 832 5.675 2.856 7.415 1.00 0.00 N ATOM 466 CA ILE A 832 6.962 2.398 6.906 1.00 0.00 C ATOM 467 C ILE A 832 7.149 0.904 7.150 1.00 0.00 C ATOM 468 O ILE A 832 7.313 0.127 6.209 1.00 0.00 O ATOM 469 CB ILE A 832 8.130 3.163 7.556 1.00 0.00 C ATOM 470 CG1 ILE A 832 8.181 4.600 7.032 1.00 0.00 C ATOM 471 CG2 ILE A 832 9.446 2.449 7.287 1.00 0.00 C ATOM 472 CD1 ILE A 832 7.024 5.455 7.501 1.00 0.00 C ATOM 0 H ILE A 832 5.732 3.408 8.271 1.00 0.00 H new ATOM 0 HA ILE A 832 6.964 2.592 5.833 1.00 0.00 H new ATOM 0 HB ILE A 832 7.970 3.194 8.634 1.00 0.00 H new ATOM 0 HG12 ILE A 832 9.116 5.061 7.350 1.00 0.00 H new ATOM 0 HG13 ILE A 832 8.190 4.581 5.942 1.00 0.00 H new ATOM 0 HG21 ILE A 832 10.262 3.002 7.753 1.00 0.00 H new ATOM 0 HG22 ILE A 832 9.406 1.442 7.703 1.00 0.00 H new ATOM 0 HG23 ILE A 832 9.615 2.390 6.212 1.00 0.00 H new ATOM 0 HD11 ILE A 832 7.125 6.460 7.092 1.00 0.00 H new ATOM 0 HD12 ILE A 832 6.086 5.017 7.160 1.00 0.00 H new ATOM 0 HD13 ILE A 832 7.026 5.505 8.590 1.00 0.00 H new ATOM 484 N ASP A 833 7.121 0.510 8.418 1.00 0.00 N ATOM 485 CA ASP A 833 7.285 -0.892 8.786 1.00 0.00 C ATOM 486 C ASP A 833 6.295 -1.772 8.030 1.00 0.00 C ATOM 487 O ASP A 833 6.660 -2.822 7.502 1.00 0.00 O ATOM 488 CB ASP A 833 7.097 -1.070 10.294 1.00 0.00 C ATOM 489 CG ASP A 833 5.658 -1.369 10.666 1.00 0.00 C ATOM 490 OD1 ASP A 833 5.128 -2.402 10.205 1.00 0.00 O ATOM 491 OD2 ASP A 833 5.062 -0.571 11.419 1.00 0.00 O ATOM 0 H ASP A 833 6.986 1.141 9.208 1.00 0.00 H new ATOM 0 HA ASP A 833 8.295 -1.198 8.515 1.00 0.00 H new ATOM 0 HB2 ASP A 833 7.736 -1.881 10.644 1.00 0.00 H new ATOM 0 HB3 ASP A 833 7.421 -0.165 10.807 1.00 0.00 H new ATOM 496 N ALA A 834 5.040 -1.336 7.982 1.00 0.00 N ATOM 497 CA ALA A 834 3.998 -2.083 7.289 1.00 0.00 C ATOM 498 C ALA A 834 4.345 -2.274 5.817 1.00 0.00 C ATOM 499 O ALA A 834 4.385 -3.399 5.319 1.00 0.00 O ATOM 500 CB ALA A 834 2.658 -1.375 7.430 1.00 0.00 C ATOM 0 H ALA A 834 4.721 -0.469 8.415 1.00 0.00 H new ATOM 0 HA ALA A 834 3.926 -3.069 7.749 1.00 0.00 H new ATOM 0 HB1 ALA A 834 1.889 -1.944 6.908 1.00 0.00 H new ATOM 0 HB2 ALA A 834 2.397 -1.297 8.485 1.00 0.00 H new ATOM 0 HB3 ALA A 834 2.727 -0.377 6.998 1.00 0.00 H new ATOM 506 N ALA A 835 4.594 -1.167 5.124 1.00 0.00 N ATOM 507 CA ALA A 835 4.939 -1.213 3.709 1.00 0.00 C ATOM 508 C ALA A 835 6.098 -2.172 3.457 1.00 0.00 C ATOM 509 O ALA A 835 6.072 -2.955 2.507 1.00 0.00 O ATOM 510 CB ALA A 835 5.286 0.180 3.205 1.00 0.00 C ATOM 0 H ALA A 835 4.563 -0.228 5.520 1.00 0.00 H new ATOM 0 HA ALA A 835 4.072 -1.581 3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 835 5.542 0.131 2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 835 4.429 0.840 3.341 1.00 0.00 H new ATOM 0 HB3 ALA A 835 6.136 0.569 3.766 1.00 0.00 H new ATOM 516 N ILE A 836 7.112 -2.106 4.313 1.00 0.00 N ATOM 517 CA ILE A 836 8.279 -2.969 4.183 1.00 0.00 C ATOM 518 C ILE A 836 7.884 -4.440 4.244 1.00 0.00 C ATOM 519 O ILE A 836 8.135 -5.201 3.309 1.00 0.00 O ATOM 520 CB ILE A 836 9.317 -2.681 5.283 1.00 0.00 C ATOM 521 CG1 ILE A 836 9.840 -1.249 5.160 1.00 0.00 C ATOM 522 CG2 ILE A 836 10.464 -3.678 5.203 1.00 0.00 C ATOM 523 CD1 ILE A 836 10.572 -0.764 6.392 1.00 0.00 C ATOM 0 H ILE A 836 7.149 -1.463 5.104 1.00 0.00 H new ATOM 0 HA ILE A 836 8.723 -2.755 3.211 1.00 0.00 H new ATOM 0 HB ILE A 836 8.834 -2.789 6.254 1.00 0.00 H new ATOM 0 HG12 ILE A 836 10.510 -1.188 4.302 1.00 0.00 H new ATOM 0 HG13 ILE A 836 9.002 -0.581 4.959 1.00 0.00 H new ATOM 0 HG21 ILE A 836 11.190 -3.461 5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 836 10.078 -4.689 5.335 1.00 0.00 H new ATOM 0 HG23 ILE A 836 10.947 -3.599 4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 836 10.914 0.259 6.233 1.00 0.00 H new ATOM 0 HD12 ILE A 836 9.900 -0.792 7.249 1.00 0.00 H new ATOM 0 HD13 ILE A 836 11.430 -1.408 6.583 1.00 0.00 H new ATOM 535 N VAL A 837 7.262 -4.835 5.351 1.00 0.00 N ATOM 536 CA VAL A 837 6.829 -6.215 5.533 1.00 0.00 C ATOM 537 C VAL A 837 6.066 -6.718 4.313 1.00 0.00 C ATOM 538 O VAL A 837 6.401 -7.757 3.743 1.00 0.00 O ATOM 539 CB VAL A 837 5.936 -6.363 6.780 1.00 0.00 C ATOM 540 CG1 VAL A 837 5.478 -7.805 6.941 1.00 0.00 C ATOM 541 CG2 VAL A 837 6.674 -5.888 8.022 1.00 0.00 C ATOM 0 H VAL A 837 7.047 -4.219 6.135 1.00 0.00 H new ATOM 0 HA VAL A 837 7.730 -6.814 5.666 1.00 0.00 H new ATOM 0 HB VAL A 837 5.052 -5.739 6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 837 4.849 -7.890 7.827 1.00 0.00 H new ATOM 0 HG12 VAL A 837 4.909 -8.106 6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 837 6.348 -8.453 7.050 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.029 -5.999 8.893 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.576 -6.484 8.160 1.00 0.00 H new ATOM 0 HG23 VAL A 837 6.947 -4.839 7.904 1.00 0.00 H new ATOM 551 N ARG A 838 5.039 -5.974 3.916 1.00 0.00 N ATOM 552 CA ARG A 838 4.227 -6.344 2.763 1.00 0.00 C ATOM 553 C ARG A 838 5.096 -6.528 1.523 1.00 0.00 C ATOM 554 O ARG A 838 5.104 -7.596 0.911 1.00 0.00 O ATOM 555 CB ARG A 838 3.161 -5.279 2.499 1.00 0.00 C ATOM 556 CG ARG A 838 2.168 -5.116 3.638 1.00 0.00 C ATOM 557 CD ARG A 838 0.949 -4.317 3.204 1.00 0.00 C ATOM 558 NE ARG A 838 1.178 -2.878 3.289 1.00 0.00 N ATOM 559 CZ ARG A 838 0.428 -1.976 2.667 1.00 0.00 C ATOM 560 NH1 ARG A 838 -0.596 -2.363 1.918 1.00 0.00 N ATOM 561 NH2 ARG A 838 0.700 -0.683 2.793 1.00 0.00 N ATOM 0 H ARG A 838 4.749 -5.111 4.376 1.00 0.00 H new ATOM 0 HA ARG A 838 3.736 -7.291 2.985 1.00 0.00 H new ATOM 0 HB2 ARG A 838 3.652 -4.323 2.317 1.00 0.00 H new ATOM 0 HB3 ARG A 838 2.619 -5.537 1.590 1.00 0.00 H new ATOM 0 HG2 ARG A 838 1.854 -6.098 3.992 1.00 0.00 H new ATOM 0 HG3 ARG A 838 2.653 -4.616 4.476 1.00 0.00 H new ATOM 0 HD2 ARG A 838 0.688 -4.582 2.180 1.00 0.00 H new ATOM 0 HD3 ARG A 838 0.098 -4.586 3.830 1.00 0.00 H new ATOM 0 HE ARG A 838 1.957 -2.547 3.858 1.00 0.00 H new ATOM 0 HH11 ARG A 838 -0.809 -3.356 1.819 1.00 0.00 H new ATOM 0 HH12 ARG A 838 -1.171 -1.668 1.441 1.00 0.00 H new ATOM 0 HH21 ARG A 838 1.486 -0.381 3.368 1.00 0.00 H new ATOM 0 HH22 ARG A 838 0.123 0.009 2.314 1.00 0.00 H new ATOM 575 N ILE A 839 5.826 -5.479 1.158 1.00 0.00 N ATOM 576 CA ILE A 839 6.699 -5.525 -0.009 1.00 0.00 C ATOM 577 C ILE A 839 7.598 -6.756 0.026 1.00 0.00 C ATOM 578 O ILE A 839 7.557 -7.592 -0.877 1.00 0.00 O ATOM 579 CB ILE A 839 7.578 -4.264 -0.104 1.00 0.00 C ATOM 580 CG1 ILE A 839 6.704 -3.012 -0.201 1.00 0.00 C ATOM 581 CG2 ILE A 839 8.511 -4.359 -1.302 1.00 0.00 C ATOM 582 CD1 ILE A 839 7.350 -1.777 0.385 1.00 0.00 C ATOM 0 H ILE A 839 5.830 -4.587 1.653 1.00 0.00 H new ATOM 0 HA ILE A 839 6.053 -5.574 -0.885 1.00 0.00 H new ATOM 0 HB ILE A 839 8.183 -4.192 0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 839 6.466 -2.825 -1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 839 5.760 -3.197 0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 839 9.126 -3.461 -1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 839 9.154 -5.233 -1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 839 7.923 -4.452 -2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 839 6.674 -0.929 0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 839 7.563 -1.944 1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 839 8.280 -1.567 -0.144 1.00 0.00 H new ATOM 594 N MET A 840 8.408 -6.862 1.074 1.00 0.00 N ATOM 595 CA MET A 840 9.315 -7.993 1.227 1.00 0.00 C ATOM 596 C MET A 840 8.561 -9.314 1.112 1.00 0.00 C ATOM 597 O MET A 840 9.023 -10.250 0.459 1.00 0.00 O ATOM 598 CB MET A 840 10.034 -7.919 2.575 1.00 0.00 C ATOM 599 CG MET A 840 10.750 -6.599 2.810 1.00 0.00 C ATOM 600 SD MET A 840 12.423 -6.587 2.137 1.00 0.00 S ATOM 601 CE MET A 840 13.366 -6.106 3.582 1.00 0.00 C ATOM 0 H MET A 840 8.455 -6.178 1.830 1.00 0.00 H new ATOM 0 HA MET A 840 10.053 -7.945 0.426 1.00 0.00 H new ATOM 0 HB2 MET A 840 9.309 -8.077 3.373 1.00 0.00 H new ATOM 0 HB3 MET A 840 10.758 -8.732 2.637 1.00 0.00 H new ATOM 0 HG2 MET A 840 10.174 -5.792 2.357 1.00 0.00 H new ATOM 0 HG3 MET A 840 10.792 -6.398 3.881 1.00 0.00 H new ATOM 0 HE1 MET A 840 14.271 -5.585 3.269 1.00 0.00 H new ATOM 0 HE2 MET A 840 12.764 -5.445 4.206 1.00 0.00 H new ATOM 0 HE3 MET A 840 13.638 -6.995 4.151 1.00 0.00 H new ATOM 611 N LYS A 841 7.398 -9.384 1.751 1.00 0.00 N ATOM 612 CA LYS A 841 6.579 -10.590 1.721 1.00 0.00 C ATOM 613 C LYS A 841 6.315 -11.032 0.285 1.00 0.00 C ATOM 614 O LYS A 841 6.676 -12.140 -0.109 1.00 0.00 O ATOM 615 CB LYS A 841 5.251 -10.347 2.443 1.00 0.00 C ATOM 616 CG LYS A 841 4.350 -11.569 2.484 1.00 0.00 C ATOM 617 CD LYS A 841 3.013 -11.254 3.134 1.00 0.00 C ATOM 618 CE LYS A 841 3.119 -11.246 4.651 1.00 0.00 C ATOM 619 NZ LYS A 841 3.513 -9.908 5.173 1.00 0.00 N ATOM 0 H LYS A 841 7.001 -8.619 2.296 1.00 0.00 H new ATOM 0 HA LYS A 841 7.124 -11.383 2.233 1.00 0.00 H new ATOM 0 HB2 LYS A 841 5.456 -10.022 3.463 1.00 0.00 H new ATOM 0 HB3 LYS A 841 4.722 -9.532 1.949 1.00 0.00 H new ATOM 0 HG2 LYS A 841 4.186 -11.935 1.471 1.00 0.00 H new ATOM 0 HG3 LYS A 841 4.844 -12.369 3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 841 2.659 -10.283 2.788 1.00 0.00 H new ATOM 0 HD3 LYS A 841 2.273 -11.992 2.824 1.00 0.00 H new ATOM 0 HE2 LYS A 841 2.162 -11.537 5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 841 3.851 -11.989 4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 4.390 -9.995 5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 3.668 -9.257 4.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 2.756 -9.536 5.782 1.00 0.00 H new ATOM 633 N MET A 842 5.684 -10.158 -0.493 1.00 0.00 N ATOM 634 CA MET A 842 5.376 -10.458 -1.886 1.00 0.00 C ATOM 635 C MET A 842 6.638 -10.840 -2.652 1.00 0.00 C ATOM 636 O MET A 842 6.629 -11.774 -3.455 1.00 0.00 O ATOM 637 CB MET A 842 4.704 -9.255 -2.552 1.00 0.00 C ATOM 638 CG MET A 842 3.293 -8.994 -2.053 1.00 0.00 C ATOM 639 SD MET A 842 2.124 -10.263 -2.578 1.00 0.00 S ATOM 640 CE MET A 842 1.766 -9.724 -4.248 1.00 0.00 C ATOM 0 H MET A 842 5.376 -9.237 -0.182 1.00 0.00 H new ATOM 0 HA MET A 842 4.691 -11.305 -1.907 1.00 0.00 H new ATOM 0 HB2 MET A 842 5.312 -8.367 -2.378 1.00 0.00 H new ATOM 0 HB3 MET A 842 4.676 -9.416 -3.630 1.00 0.00 H new ATOM 0 HG2 MET A 842 3.301 -8.941 -0.964 1.00 0.00 H new ATOM 0 HG3 MET A 842 2.957 -8.023 -2.417 1.00 0.00 H new ATOM 0 HE1 MET A 842 1.055 -10.410 -4.707 1.00 0.00 H new ATOM 0 HE2 MET A 842 1.339 -8.722 -4.223 1.00 0.00 H new ATOM 0 HE3 MET A 842 2.687 -9.712 -4.832 1.00 0.00 H new ATOM 650 N ARG A 843 7.721 -10.113 -2.400 1.00 0.00 N ATOM 651 CA ARG A 843 8.990 -10.376 -3.068 1.00 0.00 C ATOM 652 C ARG A 843 9.879 -11.274 -2.212 1.00 0.00 C ATOM 653 O ARG A 843 10.559 -10.804 -1.299 1.00 0.00 O ATOM 654 CB ARG A 843 9.713 -9.062 -3.369 1.00 0.00 C ATOM 655 CG ARG A 843 8.862 -8.059 -4.130 1.00 0.00 C ATOM 656 CD ARG A 843 8.829 -8.371 -5.618 1.00 0.00 C ATOM 657 NE ARG A 843 10.063 -7.971 -6.289 1.00 0.00 N ATOM 658 CZ ARG A 843 10.229 -8.010 -7.606 1.00 0.00 C ATOM 659 NH1 ARG A 843 9.245 -8.428 -8.390 1.00 0.00 N ATOM 660 NH2 ARG A 843 11.382 -7.629 -8.142 1.00 0.00 N ATOM 0 H ARG A 843 7.745 -9.337 -1.738 1.00 0.00 H new ATOM 0 HA ARG A 843 8.779 -10.890 -4.006 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.037 -8.612 -2.431 1.00 0.00 H new ATOM 0 HB3 ARG A 843 10.612 -9.276 -3.947 1.00 0.00 H new ATOM 0 HG2 ARG A 843 7.847 -8.066 -3.733 1.00 0.00 H new ATOM 0 HG3 ARG A 843 9.257 -7.055 -3.976 1.00 0.00 H new ATOM 0 HD2 ARG A 843 8.669 -9.440 -5.761 1.00 0.00 H new ATOM 0 HD3 ARG A 843 7.984 -7.858 -6.077 1.00 0.00 H new ATOM 0 HE ARG A 843 10.840 -7.644 -5.715 1.00 0.00 H new ATOM 0 HH11 ARG A 843 8.357 -8.721 -7.982 1.00 0.00 H new ATOM 0 HH12 ARG A 843 9.376 -8.457 -9.401 1.00 0.00 H new ATOM 0 HH21 ARG A 843 12.141 -7.306 -7.542 1.00 0.00 H new ATOM 0 HH22 ARG A 843 11.509 -7.659 -9.154 1.00 0.00 H new ATOM 674 N LYS A 844 9.869 -12.568 -2.513 1.00 0.00 N ATOM 675 CA LYS A 844 10.674 -13.532 -1.773 1.00 0.00 C ATOM 676 C LYS A 844 11.995 -12.913 -1.331 1.00 0.00 C ATOM 677 O LYS A 844 12.360 -12.975 -0.157 1.00 0.00 O ATOM 678 CB LYS A 844 10.941 -14.770 -2.633 1.00 0.00 C ATOM 679 CG LYS A 844 9.679 -15.510 -3.042 1.00 0.00 C ATOM 680 CD LYS A 844 9.142 -16.367 -1.908 1.00 0.00 C ATOM 681 CE LYS A 844 8.079 -17.338 -2.398 1.00 0.00 C ATOM 682 NZ LYS A 844 6.717 -16.737 -2.357 1.00 0.00 N ATOM 0 H LYS A 844 9.312 -12.973 -3.265 1.00 0.00 H new ATOM 0 HA LYS A 844 10.117 -13.827 -0.884 1.00 0.00 H new ATOM 0 HB2 LYS A 844 11.483 -14.469 -3.530 1.00 0.00 H new ATOM 0 HB3 LYS A 844 11.590 -15.452 -2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 844 8.918 -14.792 -3.348 1.00 0.00 H new ATOM 0 HG3 LYS A 844 9.889 -16.139 -3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 844 9.961 -16.923 -1.451 1.00 0.00 H new ATOM 0 HD3 LYS A 844 8.721 -15.726 -1.134 1.00 0.00 H new ATOM 0 HE2 LYS A 844 8.310 -17.645 -3.418 1.00 0.00 H new ATOM 0 HE3 LYS A 844 8.098 -18.238 -1.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 844 6.021 -17.430 -2.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 844 6.486 -16.467 -1.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 844 6.692 -15.893 -2.964 1.00 0.00 H new ATOM 696 N THR A 845 12.709 -12.313 -2.279 1.00 0.00 N ATOM 697 CA THR A 845 13.990 -11.682 -1.987 1.00 0.00 C ATOM 698 C THR A 845 14.074 -10.293 -2.611 1.00 0.00 C ATOM 699 O THR A 845 13.740 -10.106 -3.781 1.00 0.00 O ATOM 700 CB THR A 845 15.166 -12.534 -2.499 1.00 0.00 C ATOM 701 OG1 THR A 845 15.170 -13.808 -1.845 1.00 0.00 O ATOM 702 CG2 THR A 845 16.492 -11.829 -2.255 1.00 0.00 C ATOM 0 H THR A 845 12.421 -12.251 -3.256 1.00 0.00 H new ATOM 0 HA THR A 845 14.059 -11.595 -0.903 1.00 0.00 H new ATOM 0 HB THR A 845 15.041 -12.678 -3.572 1.00 0.00 H new ATOM 0 HG1 THR A 845 15.920 -14.344 -2.177 1.00 0.00 H new ATOM 0 HG21 THR A 845 17.308 -12.450 -2.625 1.00 0.00 H new ATOM 0 HG22 THR A 845 16.498 -10.873 -2.779 1.00 0.00 H new ATOM 0 HG23 THR A 845 16.622 -11.658 -1.186 1.00 0.00 H new ATOM 710 N LEU A 846 14.522 -9.322 -1.823 1.00 0.00 N ATOM 711 CA LEU A 846 14.650 -7.949 -2.299 1.00 0.00 C ATOM 712 C LEU A 846 15.913 -7.296 -1.745 1.00 0.00 C ATOM 713 O LEU A 846 16.324 -7.575 -0.619 1.00 0.00 O ATOM 714 CB LEU A 846 13.421 -7.132 -1.896 1.00 0.00 C ATOM 715 CG LEU A 846 13.043 -5.983 -2.832 1.00 0.00 C ATOM 716 CD1 LEU A 846 12.605 -6.520 -4.186 1.00 0.00 C ATOM 717 CD2 LEU A 846 11.945 -5.131 -2.213 1.00 0.00 C ATOM 0 H LEU A 846 14.803 -9.460 -0.852 1.00 0.00 H new ATOM 0 HA LEU A 846 14.722 -7.973 -3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 846 12.569 -7.808 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 846 13.592 -6.722 -0.901 1.00 0.00 H new ATOM 0 HG LEU A 846 13.922 -5.356 -2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 846 12.340 -5.688 -4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 846 13.421 -7.087 -4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 846 11.740 -7.170 -4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 846 11.688 -4.318 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 846 11.063 -5.747 -2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 846 12.295 -4.717 -1.268 1.00 0.00 H new ATOM 729 N SER A 847 16.521 -6.425 -2.543 1.00 0.00 N ATOM 730 CA SER A 847 17.738 -5.734 -2.134 1.00 0.00 C ATOM 731 C SER A 847 17.411 -4.376 -1.519 1.00 0.00 C ATOM 732 O SER A 847 16.440 -3.724 -1.906 1.00 0.00 O ATOM 733 CB SER A 847 18.674 -5.553 -3.330 1.00 0.00 C ATOM 734 OG SER A 847 19.089 -6.805 -3.847 1.00 0.00 O ATOM 0 H SER A 847 16.191 -6.181 -3.477 1.00 0.00 H new ATOM 0 HA SER A 847 18.237 -6.344 -1.381 1.00 0.00 H new ATOM 0 HB2 SER A 847 18.167 -4.984 -4.110 1.00 0.00 H new ATOM 0 HB3 SER A 847 19.546 -4.973 -3.028 1.00 0.00 H new ATOM 0 HG SER A 847 19.718 -7.224 -3.223 1.00 0.00 H new ATOM 740 N HIS A 848 18.228 -3.956 -0.559 1.00 0.00 N ATOM 741 CA HIS A 848 18.027 -2.675 0.110 1.00 0.00 C ATOM 742 C HIS A 848 17.477 -1.635 -0.862 1.00 0.00 C ATOM 743 O HIS A 848 16.428 -1.040 -0.621 1.00 0.00 O ATOM 744 CB HIS A 848 19.340 -2.180 0.716 1.00 0.00 C ATOM 745 CG HIS A 848 19.221 -0.855 1.404 1.00 0.00 C ATOM 746 ND1 HIS A 848 19.185 0.402 0.903 1.00 0.00 N flip ATOM 747 CD2 HIS A 848 19.125 -0.724 2.773 1.00 0.00 C flip ATOM 748 CE1 HIS A 848 19.067 1.261 1.968 1.00 0.00 C flip ATOM 749 NE2 HIS A 848 19.032 0.556 3.085 1.00 0.00 N flip ATOM 0 H HIS A 848 19.035 -4.483 -0.227 1.00 0.00 H new ATOM 0 HA HIS A 848 17.300 -2.821 0.909 1.00 0.00 H new ATOM 0 HB2 HIS A 848 19.702 -2.919 1.430 1.00 0.00 H new ATOM 0 HB3 HIS A 848 20.089 -2.105 -0.073 1.00 0.00 H new ATOM 0 HD1 HIS A 848 19.236 0.663 -0.082 1.00 0.00 H new ATOM 0 HD2 HIS A 848 19.126 -1.540 3.480 1.00 0.00 H new ATOM 0 HE1 HIS A 848 19.012 2.338 1.903 1.00 0.00 H new ATOM 757 N ASN A 849 18.194 -1.422 -1.961 1.00 0.00 N ATOM 758 CA ASN A 849 17.779 -0.453 -2.968 1.00 0.00 C ATOM 759 C ASN A 849 16.337 -0.702 -3.401 1.00 0.00 C ATOM 760 O ASN A 849 15.510 0.210 -3.397 1.00 0.00 O ATOM 761 CB ASN A 849 18.706 -0.520 -4.183 1.00 0.00 C ATOM 762 CG ASN A 849 20.163 -0.670 -3.791 1.00 0.00 C ATOM 763 OD1 ASN A 849 20.810 0.294 -3.383 1.00 0.00 O ATOM 764 ND2 ASN A 849 20.687 -1.885 -3.913 1.00 0.00 N ATOM 0 H ASN A 849 19.065 -1.907 -2.176 1.00 0.00 H new ATOM 0 HA ASN A 849 17.841 0.542 -2.526 1.00 0.00 H new ATOM 0 HB2 ASN A 849 18.414 -1.360 -4.814 1.00 0.00 H new ATOM 0 HB3 ASN A 849 18.584 0.384 -4.780 1.00 0.00 H new ATOM 0 HD21 ASN A 849 21.663 -2.047 -3.664 1.00 0.00 H new ATOM 0 HD22 ASN A 849 20.113 -2.656 -4.256 1.00 0.00 H new ATOM 771 N LEU A 850 16.043 -1.943 -3.772 1.00 0.00 N ATOM 772 CA LEU A 850 14.700 -2.314 -4.207 1.00 0.00 C ATOM 773 C LEU A 850 13.685 -2.092 -3.090 1.00 0.00 C ATOM 774 O LEU A 850 12.537 -1.724 -3.344 1.00 0.00 O ATOM 775 CB LEU A 850 14.673 -3.776 -4.653 1.00 0.00 C ATOM 776 CG LEU A 850 15.128 -4.049 -6.087 1.00 0.00 C ATOM 777 CD1 LEU A 850 14.075 -3.581 -7.080 1.00 0.00 C ATOM 778 CD2 LEU A 850 16.462 -3.370 -6.362 1.00 0.00 C ATOM 0 H LEU A 850 16.716 -2.710 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 850 14.429 -1.678 -5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 850 15.304 -4.353 -3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 850 13.656 -4.151 -4.538 1.00 0.00 H new ATOM 0 HG LEU A 850 15.259 -5.124 -6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 850 14.417 -3.784 -8.095 1.00 0.00 H new ATOM 0 HD12 LEU A 850 13.141 -4.113 -6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 850 13.911 -2.510 -6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 850 16.770 -3.575 -7.387 1.00 0.00 H new ATOM 0 HD22 LEU A 850 16.358 -2.294 -6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 850 17.214 -3.754 -5.673 1.00 0.00 H new ATOM 790 N LEU A 851 14.116 -2.315 -1.854 1.00 0.00 N ATOM 791 CA LEU A 851 13.246 -2.137 -0.696 1.00 0.00 C ATOM 792 C LEU A 851 12.835 -0.676 -0.543 1.00 0.00 C ATOM 793 O LEU A 851 11.663 -0.331 -0.689 1.00 0.00 O ATOM 794 CB LEU A 851 13.950 -2.617 0.574 1.00 0.00 C ATOM 795 CG LEU A 851 13.285 -2.231 1.896 1.00 0.00 C ATOM 796 CD1 LEU A 851 11.863 -2.767 1.955 1.00 0.00 C ATOM 797 CD2 LEU A 851 14.100 -2.747 3.073 1.00 0.00 C ATOM 0 H LEU A 851 15.063 -2.619 -1.627 1.00 0.00 H new ATOM 0 HA LEU A 851 12.347 -2.733 -0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 851 14.029 -3.703 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 851 14.966 -2.223 0.573 1.00 0.00 H new ATOM 0 HG LEU A 851 13.244 -1.143 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 851 11.406 -2.482 2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 851 11.282 -2.350 1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 851 11.880 -3.854 1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 851 13.612 -2.463 4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 851 14.172 -3.833 3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 851 15.100 -2.315 3.040 1.00 0.00 H new ATOM 809 N VAL A 852 13.810 0.179 -0.250 1.00 0.00 N ATOM 810 CA VAL A 852 13.551 1.604 -0.080 1.00 0.00 C ATOM 811 C VAL A 852 12.694 2.146 -1.219 1.00 0.00 C ATOM 812 O VAL A 852 11.821 2.987 -1.006 1.00 0.00 O ATOM 813 CB VAL A 852 14.862 2.409 -0.012 1.00 0.00 C ATOM 814 CG1 VAL A 852 15.690 1.979 1.190 1.00 0.00 C ATOM 815 CG2 VAL A 852 15.654 2.248 -1.300 1.00 0.00 C ATOM 0 H VAL A 852 14.786 -0.090 -0.125 1.00 0.00 H new ATOM 0 HA VAL A 852 13.014 1.718 0.862 1.00 0.00 H new ATOM 0 HB VAL A 852 14.615 3.464 0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 852 16.613 2.558 1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 852 15.121 2.151 2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 852 15.930 0.919 1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 852 16.577 2.824 -1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 852 15.893 1.195 -1.451 1.00 0.00 H new ATOM 0 HG23 VAL A 852 15.060 2.609 -2.140 1.00 0.00 H new ATOM 825 N SER A 853 12.949 1.658 -2.429 1.00 0.00 N ATOM 826 CA SER A 853 12.203 2.096 -3.603 1.00 0.00 C ATOM 827 C SER A 853 10.722 1.756 -3.463 1.00 0.00 C ATOM 828 O SER A 853 9.864 2.635 -3.534 1.00 0.00 O ATOM 829 CB SER A 853 12.771 1.445 -4.866 1.00 0.00 C ATOM 830 OG SER A 853 12.542 2.257 -6.004 1.00 0.00 O ATOM 0 H SER A 853 13.667 0.959 -2.622 1.00 0.00 H new ATOM 0 HA SER A 853 12.303 3.178 -3.684 1.00 0.00 H new ATOM 0 HB2 SER A 853 13.841 1.278 -4.743 1.00 0.00 H new ATOM 0 HB3 SER A 853 12.311 0.468 -5.014 1.00 0.00 H new ATOM 0 HG SER A 853 12.916 1.820 -6.798 1.00 0.00 H new ATOM 836 N GLU A 854 10.432 0.474 -3.265 1.00 0.00 N ATOM 837 CA GLU A 854 9.055 0.017 -3.117 1.00 0.00 C ATOM 838 C GLU A 854 8.326 0.826 -2.048 1.00 0.00 C ATOM 839 O GLU A 854 7.283 1.426 -2.311 1.00 0.00 O ATOM 840 CB GLU A 854 9.023 -1.470 -2.757 1.00 0.00 C ATOM 841 CG GLU A 854 9.427 -2.382 -3.903 1.00 0.00 C ATOM 842 CD GLU A 854 8.276 -2.682 -4.843 1.00 0.00 C ATOM 843 OE1 GLU A 854 7.412 -3.507 -4.480 1.00 0.00 O ATOM 844 OE2 GLU A 854 8.240 -2.091 -5.943 1.00 0.00 O ATOM 0 H GLU A 854 11.131 -0.266 -3.203 1.00 0.00 H new ATOM 0 HA GLU A 854 8.546 0.163 -4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 854 9.689 -1.645 -1.912 1.00 0.00 H new ATOM 0 HB3 GLU A 854 8.017 -1.735 -2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 854 10.238 -1.917 -4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 854 9.814 -3.317 -3.499 1.00 0.00 H new ATOM 851 N VAL A 855 8.882 0.838 -0.841 1.00 0.00 N ATOM 852 CA VAL A 855 8.286 1.573 0.268 1.00 0.00 C ATOM 853 C VAL A 855 7.845 2.965 -0.169 1.00 0.00 C ATOM 854 O VAL A 855 6.674 3.326 -0.042 1.00 0.00 O ATOM 855 CB VAL A 855 9.268 1.704 1.447 1.00 0.00 C ATOM 856 CG1 VAL A 855 8.740 2.692 2.476 1.00 0.00 C ATOM 857 CG2 VAL A 855 9.521 0.345 2.083 1.00 0.00 C ATOM 0 H VAL A 855 9.745 0.347 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 855 7.415 1.004 0.592 1.00 0.00 H new ATOM 0 HB VAL A 855 10.216 2.085 1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 855 9.448 2.771 3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 855 8.615 3.670 2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 855 7.779 2.344 2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 855 10.217 0.456 2.914 1.00 0.00 H new ATOM 0 HG22 VAL A 855 8.580 -0.066 2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 855 9.947 -0.330 1.341 1.00 0.00 H new ATOM 867 N TYR A 856 8.790 3.744 -0.684 1.00 0.00 N ATOM 868 CA TYR A 856 8.499 5.098 -1.139 1.00 0.00 C ATOM 869 C TYR A 856 7.294 5.113 -2.074 1.00 0.00 C ATOM 870 O TYR A 856 6.464 6.020 -2.021 1.00 0.00 O ATOM 871 CB TYR A 856 9.717 5.692 -1.850 1.00 0.00 C ATOM 872 CG TYR A 856 10.833 6.089 -0.910 1.00 0.00 C ATOM 873 CD1 TYR A 856 10.575 6.846 0.226 1.00 0.00 C ATOM 874 CD2 TYR A 856 12.145 5.705 -1.157 1.00 0.00 C ATOM 875 CE1 TYR A 856 11.591 7.212 1.087 1.00 0.00 C ATOM 876 CE2 TYR A 856 13.168 6.065 -0.301 1.00 0.00 C ATOM 877 CZ TYR A 856 12.886 6.818 0.820 1.00 0.00 C ATOM 878 OH TYR A 856 13.901 7.179 1.676 1.00 0.00 O ATOM 0 H TYR A 856 9.763 3.461 -0.797 1.00 0.00 H new ATOM 0 HA TYR A 856 8.264 5.705 -0.264 1.00 0.00 H new ATOM 0 HB2 TYR A 856 10.099 4.965 -2.567 1.00 0.00 H new ATOM 0 HB3 TYR A 856 9.404 6.567 -2.419 1.00 0.00 H new ATOM 0 HD1 TYR A 856 9.562 7.154 0.440 1.00 0.00 H new ATOM 0 HD2 TYR A 856 12.369 5.115 -2.033 1.00 0.00 H new ATOM 0 HE1 TYR A 856 11.373 7.803 1.964 1.00 0.00 H new ATOM 0 HE2 TYR A 856 14.183 5.759 -0.508 1.00 0.00 H new ATOM 0 HH TYR A 856 14.751 6.821 1.345 1.00 0.00 H new ATOM 888 N ASN A 857 7.204 4.099 -2.929 1.00 0.00 N ATOM 889 CA ASN A 857 6.101 3.994 -3.877 1.00 0.00 C ATOM 890 C ASN A 857 4.769 3.850 -3.147 1.00 0.00 C ATOM 891 O ASN A 857 3.748 4.374 -3.590 1.00 0.00 O ATOM 892 CB ASN A 857 6.315 2.801 -4.810 1.00 0.00 C ATOM 893 CG ASN A 857 5.290 2.750 -5.927 1.00 0.00 C ATOM 894 OD1 ASN A 857 5.085 3.731 -6.642 1.00 0.00 O ATOM 895 ND2 ASN A 857 4.641 1.602 -6.083 1.00 0.00 N ATOM 0 H ASN A 857 7.882 3.339 -2.985 1.00 0.00 H new ATOM 0 HA ASN A 857 6.074 4.909 -4.469 1.00 0.00 H new ATOM 0 HB2 ASN A 857 7.315 2.854 -5.240 1.00 0.00 H new ATOM 0 HB3 ASN A 857 6.265 1.878 -4.232 1.00 0.00 H new ATOM 0 HD21 ASN A 857 3.941 1.508 -6.819 1.00 0.00 H new ATOM 0 HD22 ASN A 857 4.843 0.814 -5.467 1.00 0.00 H new ATOM 902 N GLN A 858 4.789 3.137 -2.025 1.00 0.00 N ATOM 903 CA GLN A 858 3.583 2.925 -1.234 1.00 0.00 C ATOM 904 C GLN A 858 3.275 4.145 -0.372 1.00 0.00 C ATOM 905 O GLN A 858 2.115 4.431 -0.073 1.00 0.00 O ATOM 906 CB GLN A 858 3.740 1.687 -0.349 1.00 0.00 C ATOM 907 CG GLN A 858 3.934 0.399 -1.133 1.00 0.00 C ATOM 908 CD GLN A 858 3.387 -0.814 -0.407 1.00 0.00 C ATOM 909 OE1 GLN A 858 4.022 -1.345 0.504 1.00 0.00 O ATOM 910 NE2 GLN A 858 2.203 -1.260 -0.809 1.00 0.00 N ATOM 0 H GLN A 858 5.627 2.697 -1.644 1.00 0.00 H new ATOM 0 HA GLN A 858 2.751 2.769 -1.921 1.00 0.00 H new ATOM 0 HB2 GLN A 858 4.593 1.831 0.314 1.00 0.00 H new ATOM 0 HB3 GLN A 858 2.858 1.588 0.283 1.00 0.00 H new ATOM 0 HG2 GLN A 858 3.442 0.490 -2.102 1.00 0.00 H new ATOM 0 HG3 GLN A 858 4.997 0.253 -1.327 1.00 0.00 H new ATOM 0 HE21 GLN A 858 1.712 -0.789 -1.568 1.00 0.00 H new ATOM 0 HE22 GLN A 858 1.785 -2.074 -0.358 1.00 0.00 H new ATOM 919 N LEU A 859 4.321 4.861 0.025 1.00 0.00 N ATOM 920 CA LEU A 859 4.163 6.052 0.854 1.00 0.00 C ATOM 921 C LEU A 859 4.270 7.319 0.012 1.00 0.00 C ATOM 922 O LEU A 859 5.303 7.584 -0.603 1.00 0.00 O ATOM 923 CB LEU A 859 5.219 6.071 1.960 1.00 0.00 C ATOM 924 CG LEU A 859 5.514 4.728 2.629 1.00 0.00 C ATOM 925 CD1 LEU A 859 6.286 4.934 3.924 1.00 0.00 C ATOM 926 CD2 LEU A 859 4.223 3.967 2.892 1.00 0.00 C ATOM 0 H LEU A 859 5.287 4.638 -0.213 1.00 0.00 H new ATOM 0 HA LEU A 859 3.172 6.021 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 859 6.148 6.457 1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.899 6.775 2.729 1.00 0.00 H new ATOM 0 HG LEU A 859 6.130 4.136 1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 859 6.487 3.967 4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 859 7.229 5.436 3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 859 5.696 5.546 4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 859 4.453 3.014 3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 859 3.581 4.555 3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.709 3.786 1.948 1.00 0.00 H new ATOM 938 N LYS A 860 3.195 8.101 -0.010 1.00 0.00 N ATOM 939 CA LYS A 860 3.168 9.343 -0.773 1.00 0.00 C ATOM 940 C LYS A 860 3.832 10.474 0.005 1.00 0.00 C ATOM 941 O LYS A 860 3.674 11.648 -0.330 1.00 0.00 O ATOM 942 CB LYS A 860 1.725 9.723 -1.115 1.00 0.00 C ATOM 943 CG LYS A 860 0.852 9.955 0.106 1.00 0.00 C ATOM 944 CD LYS A 860 -0.304 10.892 -0.205 1.00 0.00 C ATOM 945 CE LYS A 860 0.075 12.344 0.042 1.00 0.00 C ATOM 946 NZ LYS A 860 0.814 12.928 -1.112 1.00 0.00 N ATOM 0 H LYS A 860 2.331 7.896 0.492 1.00 0.00 H new ATOM 0 HA LYS A 860 3.725 9.186 -1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 860 1.731 10.627 -1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 860 1.284 8.932 -1.722 1.00 0.00 H new ATOM 0 HG2 LYS A 860 0.463 9.001 0.463 1.00 0.00 H new ATOM 0 HG3 LYS A 860 1.455 10.374 0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 860 -0.607 10.766 -1.244 1.00 0.00 H new ATOM 0 HD3 LYS A 860 -1.163 10.629 0.412 1.00 0.00 H new ATOM 0 HE2 LYS A 860 -0.826 12.928 0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 860 0.690 12.411 0.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 0.703 13.962 -1.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 1.823 12.687 -1.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 0.432 12.543 -1.999 1.00 0.00 H new ATOM 960 N PHE A 861 4.578 10.113 1.044 1.00 0.00 N ATOM 961 CA PHE A 861 5.267 11.098 1.869 1.00 0.00 C ATOM 962 C PHE A 861 6.715 10.684 2.115 1.00 0.00 C ATOM 963 O PHE A 861 7.051 9.500 2.153 1.00 0.00 O ATOM 964 CB PHE A 861 4.541 11.274 3.205 1.00 0.00 C ATOM 965 CG PHE A 861 4.535 10.033 4.051 1.00 0.00 C ATOM 966 CD1 PHE A 861 5.559 9.787 4.951 1.00 0.00 C ATOM 967 CD2 PHE A 861 3.504 9.113 3.947 1.00 0.00 C ATOM 968 CE1 PHE A 861 5.556 8.646 5.731 1.00 0.00 C ATOM 969 CE2 PHE A 861 3.496 7.970 4.725 1.00 0.00 C ATOM 970 CZ PHE A 861 4.523 7.736 5.617 1.00 0.00 C ATOM 0 H PHE A 861 4.721 9.146 1.334 1.00 0.00 H new ATOM 0 HA PHE A 861 5.265 12.048 1.334 1.00 0.00 H new ATOM 0 HB2 PHE A 861 5.014 12.082 3.763 1.00 0.00 H new ATOM 0 HB3 PHE A 861 3.512 11.578 3.013 1.00 0.00 H new ATOM 0 HD1 PHE A 861 6.369 10.495 5.044 1.00 0.00 H new ATOM 0 HD2 PHE A 861 2.698 9.291 3.251 1.00 0.00 H new ATOM 0 HE1 PHE A 861 6.360 8.466 6.429 1.00 0.00 H new ATOM 0 HE2 PHE A 861 2.687 7.261 4.635 1.00 0.00 H new ATOM 0 HZ PHE A 861 4.519 6.843 6.225 1.00 0.00 H new ATOM 980 N PRO A 862 7.594 11.683 2.286 1.00 0.00 N ATOM 981 CA PRO A 862 9.020 11.448 2.531 1.00 0.00 C ATOM 982 C PRO A 862 9.281 10.851 3.910 1.00 0.00 C ATOM 983 O PRO A 862 8.647 11.233 4.893 1.00 0.00 O ATOM 984 CB PRO A 862 9.633 12.847 2.430 1.00 0.00 C ATOM 985 CG PRO A 862 8.516 13.774 2.766 1.00 0.00 C ATOM 986 CD PRO A 862 7.264 13.117 2.254 1.00 0.00 C ATOM 0 HA PRO A 862 9.441 10.731 1.826 1.00 0.00 H new ATOM 0 HB2 PRO A 862 10.467 12.965 3.122 1.00 0.00 H new ATOM 0 HB3 PRO A 862 10.019 13.039 1.429 1.00 0.00 H new ATOM 0 HG2 PRO A 862 8.457 13.941 3.842 1.00 0.00 H new ATOM 0 HG3 PRO A 862 8.664 14.748 2.300 1.00 0.00 H new ATOM 0 HD2 PRO A 862 6.404 13.346 2.883 1.00 0.00 H new ATOM 0 HD3 PRO A 862 7.019 13.451 1.246 1.00 0.00 H new ATOM 994 N VAL A 863 10.219 9.911 3.975 1.00 0.00 N ATOM 995 CA VAL A 863 10.564 9.261 5.234 1.00 0.00 C ATOM 996 C VAL A 863 12.036 9.469 5.573 1.00 0.00 C ATOM 997 O VAL A 863 12.921 9.104 4.799 1.00 0.00 O ATOM 998 CB VAL A 863 10.268 7.751 5.186 1.00 0.00 C ATOM 999 CG1 VAL A 863 10.767 7.068 6.451 1.00 0.00 C ATOM 1000 CG2 VAL A 863 8.780 7.506 4.991 1.00 0.00 C ATOM 0 H VAL A 863 10.753 9.583 3.171 1.00 0.00 H new ATOM 0 HA VAL A 863 9.947 9.719 6.007 1.00 0.00 H new ATOM 0 HB VAL A 863 10.799 7.322 4.336 1.00 0.00 H new ATOM 0 HG11 VAL A 863 10.549 6.001 6.399 1.00 0.00 H new ATOM 0 HG12 VAL A 863 11.843 7.214 6.543 1.00 0.00 H new ATOM 0 HG13 VAL A 863 10.267 7.499 7.318 1.00 0.00 H new ATOM 0 HG21 VAL A 863 8.589 6.433 4.959 1.00 0.00 H new ATOM 0 HG22 VAL A 863 8.227 7.949 5.819 1.00 0.00 H new ATOM 0 HG23 VAL A 863 8.456 7.960 4.054 1.00 0.00 H new ATOM 1010 N LYS A 864 12.292 10.058 6.737 1.00 0.00 N ATOM 1011 CA LYS A 864 13.656 10.314 7.182 1.00 0.00 C ATOM 1012 C LYS A 864 14.524 9.069 7.021 1.00 0.00 C ATOM 1013 O LYS A 864 14.039 7.938 7.047 1.00 0.00 O ATOM 1014 CB LYS A 864 13.662 10.766 8.644 1.00 0.00 C ATOM 1015 CG LYS A 864 13.010 12.120 8.864 1.00 0.00 C ATOM 1016 CD LYS A 864 13.617 12.844 10.054 1.00 0.00 C ATOM 1017 CE LYS A 864 13.157 12.235 11.370 1.00 0.00 C ATOM 1018 NZ LYS A 864 14.050 11.128 11.811 1.00 0.00 N ATOM 0 H LYS A 864 11.571 10.367 7.389 1.00 0.00 H new ATOM 0 HA LYS A 864 14.070 11.108 6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 864 13.145 10.021 9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 864 14.692 10.806 8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 864 13.125 12.730 7.968 1.00 0.00 H new ATOM 0 HG3 LYS A 864 11.940 11.988 9.024 1.00 0.00 H new ATOM 0 HD2 LYS A 864 14.704 12.800 9.992 1.00 0.00 H new ATOM 0 HD3 LYS A 864 13.338 13.897 10.022 1.00 0.00 H new ATOM 0 HE2 LYS A 864 13.130 13.008 12.138 1.00 0.00 H new ATOM 0 HE3 LYS A 864 12.140 11.859 11.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 864 13.901 10.944 12.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 864 13.832 10.268 11.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 864 15.042 11.397 11.650 1.00 0.00 H new ATOM 1032 N PRO A 865 15.837 9.280 6.850 1.00 0.00 N ATOM 1033 CA PRO A 865 16.799 8.187 6.684 1.00 0.00 C ATOM 1034 C PRO A 865 16.995 7.386 7.966 1.00 0.00 C ATOM 1035 O PRO A 865 17.233 6.179 7.925 1.00 0.00 O ATOM 1036 CB PRO A 865 18.094 8.909 6.302 1.00 0.00 C ATOM 1037 CG PRO A 865 17.950 10.275 6.879 1.00 0.00 C ATOM 1038 CD PRO A 865 16.484 10.602 6.808 1.00 0.00 C ATOM 0 HA PRO A 865 16.465 7.460 5.944 1.00 0.00 H new ATOM 0 HB2 PRO A 865 18.967 8.398 6.708 1.00 0.00 H new ATOM 0 HB3 PRO A 865 18.222 8.948 5.220 1.00 0.00 H new ATOM 0 HG2 PRO A 865 18.307 10.303 7.909 1.00 0.00 H new ATOM 0 HG3 PRO A 865 18.539 11.000 6.317 1.00 0.00 H new ATOM 0 HD2 PRO A 865 16.171 11.229 7.643 1.00 0.00 H new ATOM 0 HD3 PRO A 865 16.236 11.142 5.894 1.00 0.00 H new ATOM 1046 N ALA A 866 16.892 8.065 9.104 1.00 0.00 N ATOM 1047 CA ALA A 866 17.055 7.416 10.399 1.00 0.00 C ATOM 1048 C ALA A 866 15.937 6.410 10.653 1.00 0.00 C ATOM 1049 O ALA A 866 16.191 5.268 11.036 1.00 0.00 O ATOM 1050 CB ALA A 866 17.095 8.455 11.509 1.00 0.00 C ATOM 0 H ALA A 866 16.696 9.065 9.155 1.00 0.00 H new ATOM 0 HA ALA A 866 18.001 6.874 10.390 1.00 0.00 H new ATOM 0 HB1 ALA A 866 17.217 7.956 12.470 1.00 0.00 H new ATOM 0 HB2 ALA A 866 17.932 9.133 11.343 1.00 0.00 H new ATOM 0 HB3 ALA A 866 16.164 9.022 11.510 1.00 0.00 H new ATOM 1056 N ASP A 867 14.699 6.842 10.439 1.00 0.00 N ATOM 1057 CA ASP A 867 13.541 5.980 10.645 1.00 0.00 C ATOM 1058 C ASP A 867 13.505 4.862 9.607 1.00 0.00 C ATOM 1059 O ASP A 867 13.317 3.692 9.945 1.00 0.00 O ATOM 1060 CB ASP A 867 12.251 6.797 10.577 1.00 0.00 C ATOM 1061 CG ASP A 867 12.341 8.089 11.366 1.00 0.00 C ATOM 1062 OD1 ASP A 867 12.890 8.062 12.487 1.00 0.00 O ATOM 1063 OD2 ASP A 867 11.865 9.127 10.860 1.00 0.00 O ATOM 0 H ASP A 867 14.472 7.785 10.123 1.00 0.00 H new ATOM 0 HA ASP A 867 13.625 5.531 11.635 1.00 0.00 H new ATOM 0 HB2 ASP A 867 12.024 7.026 9.536 1.00 0.00 H new ATOM 0 HB3 ASP A 867 11.425 6.198 10.959 1.00 0.00 H new ATOM 1068 N LEU A 868 13.685 5.229 8.343 1.00 0.00 N ATOM 1069 CA LEU A 868 13.673 4.258 7.255 1.00 0.00 C ATOM 1070 C LEU A 868 14.631 3.106 7.542 1.00 0.00 C ATOM 1071 O LEU A 868 14.214 1.955 7.670 1.00 0.00 O ATOM 1072 CB LEU A 868 14.051 4.935 5.936 1.00 0.00 C ATOM 1073 CG LEU A 868 13.872 4.091 4.674 1.00 0.00 C ATOM 1074 CD1 LEU A 868 12.396 3.944 4.335 1.00 0.00 C ATOM 1075 CD2 LEU A 868 14.629 4.709 3.508 1.00 0.00 C ATOM 0 H LEU A 868 13.841 6.192 8.046 1.00 0.00 H new ATOM 0 HA LEU A 868 12.664 3.854 7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 868 13.454 5.841 5.831 1.00 0.00 H new ATOM 0 HB3 LEU A 868 15.094 5.246 5.996 1.00 0.00 H new ATOM 0 HG LEU A 868 14.281 3.099 4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 868 12.288 3.340 3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 868 11.879 3.457 5.162 1.00 0.00 H new ATOM 0 HD13 LEU A 868 11.962 4.929 4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 868 14.490 4.095 2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 868 14.249 5.713 3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 868 15.690 4.762 3.750 1.00 0.00 H new ATOM 1087 N LYS A 869 15.917 3.424 7.643 1.00 0.00 N ATOM 1088 CA LYS A 869 16.935 2.418 7.919 1.00 0.00 C ATOM 1089 C LYS A 869 16.571 1.599 9.153 1.00 0.00 C ATOM 1090 O LYS A 869 16.581 0.368 9.120 1.00 0.00 O ATOM 1091 CB LYS A 869 18.298 3.083 8.119 1.00 0.00 C ATOM 1092 CG LYS A 869 19.096 3.234 6.836 1.00 0.00 C ATOM 1093 CD LYS A 869 19.781 1.934 6.449 1.00 0.00 C ATOM 1094 CE LYS A 869 21.010 1.675 7.307 1.00 0.00 C ATOM 1095 NZ LYS A 869 22.223 2.337 6.752 1.00 0.00 N ATOM 0 H LYS A 869 16.279 4.372 7.538 1.00 0.00 H new ATOM 0 HA LYS A 869 16.988 1.747 7.062 1.00 0.00 H new ATOM 0 HB2 LYS A 869 18.151 4.067 8.563 1.00 0.00 H new ATOM 0 HB3 LYS A 869 18.878 2.496 8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 869 18.434 3.552 6.030 1.00 0.00 H new ATOM 0 HG3 LYS A 869 19.844 4.017 6.962 1.00 0.00 H new ATOM 0 HD2 LYS A 869 19.080 1.106 6.556 1.00 0.00 H new ATOM 0 HD3 LYS A 869 20.071 1.973 5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 869 20.829 2.037 8.319 1.00 0.00 H new ATOM 0 HE3 LYS A 869 21.183 0.601 7.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 23.039 2.137 7.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 22.410 1.973 5.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 22.068 3.364 6.707 1.00 0.00 H new ATOM 1109 N LYS A 870 16.247 2.289 10.241 1.00 0.00 N ATOM 1110 CA LYS A 870 15.877 1.627 11.486 1.00 0.00 C ATOM 1111 C LYS A 870 14.771 0.603 11.249 1.00 0.00 C ATOM 1112 O LYS A 870 14.862 -0.538 11.701 1.00 0.00 O ATOM 1113 CB LYS A 870 15.419 2.658 12.520 1.00 0.00 C ATOM 1114 CG LYS A 870 16.547 3.195 13.384 1.00 0.00 C ATOM 1115 CD LYS A 870 16.018 4.050 14.523 1.00 0.00 C ATOM 1116 CE LYS A 870 15.702 3.209 15.751 1.00 0.00 C ATOM 1117 NZ LYS A 870 14.942 3.981 16.771 1.00 0.00 N ATOM 0 H LYS A 870 16.233 3.308 10.286 1.00 0.00 H new ATOM 0 HA LYS A 870 16.756 1.106 11.867 1.00 0.00 H new ATOM 0 HB2 LYS A 870 14.940 3.490 12.004 1.00 0.00 H new ATOM 0 HB3 LYS A 870 14.664 2.205 13.163 1.00 0.00 H new ATOM 0 HG2 LYS A 870 17.124 2.364 13.789 1.00 0.00 H new ATOM 0 HG3 LYS A 870 17.227 3.785 12.770 1.00 0.00 H new ATOM 0 HD2 LYS A 870 16.755 4.810 14.781 1.00 0.00 H new ATOM 0 HD3 LYS A 870 15.119 4.574 14.199 1.00 0.00 H new ATOM 0 HE2 LYS A 870 15.124 2.334 15.453 1.00 0.00 H new ATOM 0 HE3 LYS A 870 16.631 2.844 16.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 14.746 3.373 17.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 15.504 4.802 17.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 14.044 4.308 16.361 1.00 0.00 H new ATOM 1131 N ARG A 871 13.729 1.019 10.537 1.00 0.00 N ATOM 1132 CA ARG A 871 12.605 0.138 10.241 1.00 0.00 C ATOM 1133 C ARG A 871 13.079 -1.123 9.523 1.00 0.00 C ATOM 1134 O ARG A 871 12.623 -2.227 9.822 1.00 0.00 O ATOM 1135 CB ARG A 871 11.570 0.867 9.383 1.00 0.00 C ATOM 1136 CG ARG A 871 10.905 2.035 10.093 1.00 0.00 C ATOM 1137 CD ARG A 871 9.674 1.589 10.867 1.00 0.00 C ATOM 1138 NE ARG A 871 9.999 0.592 11.883 1.00 0.00 N ATOM 1139 CZ ARG A 871 10.510 0.893 13.072 1.00 0.00 C ATOM 1140 NH1 ARG A 871 10.754 2.156 13.392 1.00 0.00 N ATOM 1141 NH2 ARG A 871 10.779 -0.071 13.943 1.00 0.00 N ATOM 0 H ARG A 871 13.639 1.960 10.154 1.00 0.00 H new ATOM 0 HA ARG A 871 12.144 -0.152 11.185 1.00 0.00 H new ATOM 0 HB2 ARG A 871 12.053 1.231 8.477 1.00 0.00 H new ATOM 0 HB3 ARG A 871 10.803 0.157 9.072 1.00 0.00 H new ATOM 0 HG2 ARG A 871 11.616 2.500 10.775 1.00 0.00 H new ATOM 0 HG3 ARG A 871 10.622 2.793 9.362 1.00 0.00 H new ATOM 0 HD2 ARG A 871 9.212 2.454 11.343 1.00 0.00 H new ATOM 0 HD3 ARG A 871 8.940 1.176 10.175 1.00 0.00 H new ATOM 0 HE ARG A 871 9.824 -0.390 11.668 1.00 0.00 H new ATOM 0 HH11 ARG A 871 10.549 2.900 12.725 1.00 0.00 H new ATOM 0 HH12 ARG A 871 11.146 2.384 14.306 1.00 0.00 H new ATOM 0 HH21 ARG A 871 10.594 -1.044 13.700 1.00 0.00 H new ATOM 0 HH22 ARG A 871 11.171 0.161 14.856 1.00 0.00 H new ATOM 1155 N ILE A 872 13.994 -0.950 8.576 1.00 0.00 N ATOM 1156 CA ILE A 872 14.529 -2.074 7.817 1.00 0.00 C ATOM 1157 C ILE A 872 15.252 -3.059 8.729 1.00 0.00 C ATOM 1158 O ILE A 872 14.832 -4.207 8.876 1.00 0.00 O ATOM 1159 CB ILE A 872 15.500 -1.601 6.719 1.00 0.00 C ATOM 1160 CG1 ILE A 872 14.796 -0.628 5.770 1.00 0.00 C ATOM 1161 CG2 ILE A 872 16.053 -2.792 5.952 1.00 0.00 C ATOM 1162 CD1 ILE A 872 15.748 0.156 4.894 1.00 0.00 C ATOM 0 H ILE A 872 14.381 -0.043 8.316 1.00 0.00 H new ATOM 0 HA ILE A 872 13.679 -2.572 7.350 1.00 0.00 H new ATOM 0 HB ILE A 872 16.333 -1.080 7.191 1.00 0.00 H new ATOM 0 HG12 ILE A 872 14.107 -1.186 5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 872 14.197 0.069 6.356 1.00 0.00 H new ATOM 0 HG21 ILE A 872 16.737 -2.441 5.180 1.00 0.00 H new ATOM 0 HG22 ILE A 872 16.586 -3.451 6.638 1.00 0.00 H new ATOM 0 HG23 ILE A 872 15.232 -3.339 5.488 1.00 0.00 H new ATOM 0 HD11 ILE A 872 15.180 0.825 4.247 1.00 0.00 H new ATOM 0 HD12 ILE A 872 16.421 0.741 5.521 1.00 0.00 H new ATOM 0 HD13 ILE A 872 16.330 -0.533 4.282 1.00 0.00 H new ATOM 1174 N GLU A 873 16.339 -2.602 9.341 1.00 0.00 N ATOM 1175 CA GLU A 873 17.120 -3.444 10.241 1.00 0.00 C ATOM 1176 C GLU A 873 16.216 -4.145 11.251 1.00 0.00 C ATOM 1177 O GLU A 873 16.162 -5.374 11.304 1.00 0.00 O ATOM 1178 CB GLU A 873 18.171 -2.608 10.974 1.00 0.00 C ATOM 1179 CG GLU A 873 19.295 -2.119 10.075 1.00 0.00 C ATOM 1180 CD GLU A 873 20.476 -1.582 10.859 1.00 0.00 C ATOM 1181 OE1 GLU A 873 21.205 -2.393 11.467 1.00 0.00 O ATOM 1182 OE2 GLU A 873 20.672 -0.348 10.865 1.00 0.00 O ATOM 0 H GLU A 873 16.699 -1.654 9.231 1.00 0.00 H new ATOM 0 HA GLU A 873 17.624 -4.203 9.642 1.00 0.00 H new ATOM 0 HB2 GLU A 873 17.684 -1.748 11.433 1.00 0.00 H new ATOM 0 HB3 GLU A 873 18.596 -3.202 11.783 1.00 0.00 H new ATOM 0 HG2 GLU A 873 19.629 -2.938 9.438 1.00 0.00 H new ATOM 0 HG3 GLU A 873 18.915 -1.338 9.417 1.00 0.00 H new ATOM 1189 N SER A 874 15.509 -3.354 12.052 1.00 0.00 N ATOM 1190 CA SER A 874 14.611 -3.898 13.064 1.00 0.00 C ATOM 1191 C SER A 874 13.822 -5.081 12.511 1.00 0.00 C ATOM 1192 O SER A 874 14.002 -6.220 12.946 1.00 0.00 O ATOM 1193 CB SER A 874 13.649 -2.815 13.557 1.00 0.00 C ATOM 1194 OG SER A 874 13.041 -2.139 12.469 1.00 0.00 O ATOM 0 H SER A 874 15.541 -2.335 12.020 1.00 0.00 H new ATOM 0 HA SER A 874 15.216 -4.246 13.901 1.00 0.00 H new ATOM 0 HB2 SER A 874 12.880 -3.265 14.185 1.00 0.00 H new ATOM 0 HB3 SER A 874 14.189 -2.100 14.178 1.00 0.00 H new ATOM 0 HG SER A 874 13.533 -1.313 12.281 1.00 0.00 H new ATOM 1200 N LEU A 875 12.948 -4.804 11.551 1.00 0.00 N ATOM 1201 CA LEU A 875 12.130 -5.845 10.937 1.00 0.00 C ATOM 1202 C LEU A 875 12.935 -7.127 10.744 1.00 0.00 C ATOM 1203 O LEU A 875 12.508 -8.207 11.153 1.00 0.00 O ATOM 1204 CB LEU A 875 11.584 -5.365 9.591 1.00 0.00 C ATOM 1205 CG LEU A 875 10.412 -4.385 9.654 1.00 0.00 C ATOM 1206 CD1 LEU A 875 10.196 -3.724 8.301 1.00 0.00 C ATOM 1207 CD2 LEU A 875 9.146 -5.095 10.110 1.00 0.00 C ATOM 0 H LEU A 875 12.787 -3.868 11.180 1.00 0.00 H new ATOM 0 HA LEU A 875 11.296 -6.058 11.605 1.00 0.00 H new ATOM 0 HB2 LEU A 875 12.397 -4.893 9.039 1.00 0.00 H new ATOM 0 HB3 LEU A 875 11.272 -6.237 9.016 1.00 0.00 H new ATOM 0 HG LEU A 875 10.651 -3.609 10.381 1.00 0.00 H new ATOM 0 HD11 LEU A 875 9.358 -3.030 8.365 1.00 0.00 H new ATOM 0 HD12 LEU A 875 11.096 -3.181 8.014 1.00 0.00 H new ATOM 0 HD13 LEU A 875 9.979 -4.487 7.554 1.00 0.00 H new ATOM 0 HD21 LEU A 875 8.323 -4.382 10.149 1.00 0.00 H new ATOM 0 HD22 LEU A 875 8.903 -5.892 9.407 1.00 0.00 H new ATOM 0 HD23 LEU A 875 9.304 -5.521 11.101 1.00 0.00 H new ATOM 1219 N ILE A 876 14.101 -6.999 10.121 1.00 0.00 N ATOM 1220 CA ILE A 876 14.967 -8.146 9.877 1.00 0.00 C ATOM 1221 C ILE A 876 15.245 -8.908 11.168 1.00 0.00 C ATOM 1222 O ILE A 876 15.321 -10.137 11.171 1.00 0.00 O ATOM 1223 CB ILE A 876 16.306 -7.717 9.248 1.00 0.00 C ATOM 1224 CG1 ILE A 876 16.063 -6.987 7.926 1.00 0.00 C ATOM 1225 CG2 ILE A 876 17.202 -8.928 9.033 1.00 0.00 C ATOM 1226 CD1 ILE A 876 17.297 -6.307 7.375 1.00 0.00 C ATOM 0 H ILE A 876 14.468 -6.112 9.776 1.00 0.00 H new ATOM 0 HA ILE A 876 14.440 -8.797 9.180 1.00 0.00 H new ATOM 0 HB ILE A 876 16.809 -7.033 9.932 1.00 0.00 H new ATOM 0 HG12 ILE A 876 15.692 -7.700 7.190 1.00 0.00 H new ATOM 0 HG13 ILE A 876 15.281 -6.241 8.070 1.00 0.00 H new ATOM 0 HG21 ILE A 876 18.144 -8.609 8.588 1.00 0.00 H new ATOM 0 HG22 ILE A 876 17.398 -9.410 9.991 1.00 0.00 H new ATOM 0 HG23 ILE A 876 16.706 -9.634 8.366 1.00 0.00 H new ATOM 0 HD11 ILE A 876 17.050 -5.810 6.437 1.00 0.00 H new ATOM 0 HD12 ILE A 876 17.657 -5.570 8.093 1.00 0.00 H new ATOM 0 HD13 ILE A 876 18.074 -7.051 7.198 1.00 0.00 H new ATOM 1238 N ASP A 877 15.396 -8.171 12.263 1.00 0.00 N ATOM 1239 CA ASP A 877 15.663 -8.778 13.562 1.00 0.00 C ATOM 1240 C ASP A 877 14.389 -9.370 14.157 1.00 0.00 C ATOM 1241 O ASP A 877 14.444 -10.192 15.072 1.00 0.00 O ATOM 1242 CB ASP A 877 16.255 -7.743 14.520 1.00 0.00 C ATOM 1243 CG ASP A 877 16.687 -8.354 15.838 1.00 0.00 C ATOM 1244 OD1 ASP A 877 17.593 -9.214 15.825 1.00 0.00 O ATOM 1245 OD2 ASP A 877 16.120 -7.972 16.883 1.00 0.00 O ATOM 0 H ASP A 877 15.338 -7.153 12.277 1.00 0.00 H new ATOM 0 HA ASP A 877 16.384 -9.583 13.418 1.00 0.00 H new ATOM 0 HB2 ASP A 877 17.112 -7.263 14.047 1.00 0.00 H new ATOM 0 HB3 ASP A 877 15.517 -6.963 14.709 1.00 0.00 H new ATOM 1250 N ARG A 878 13.244 -8.947 13.632 1.00 0.00 N ATOM 1251 CA ARG A 878 11.957 -9.434 14.114 1.00 0.00 C ATOM 1252 C ARG A 878 11.586 -10.749 13.436 1.00 0.00 C ATOM 1253 O ARG A 878 10.407 -11.082 13.308 1.00 0.00 O ATOM 1254 CB ARG A 878 10.866 -8.391 13.860 1.00 0.00 C ATOM 1255 CG ARG A 878 10.745 -7.355 14.965 1.00 0.00 C ATOM 1256 CD ARG A 878 11.873 -6.337 14.901 1.00 0.00 C ATOM 1257 NE ARG A 878 12.036 -5.621 16.164 1.00 0.00 N ATOM 1258 CZ ARG A 878 11.261 -4.610 16.541 1.00 0.00 C ATOM 1259 NH1 ARG A 878 10.274 -4.199 15.757 1.00 0.00 N ATOM 1260 NH2 ARG A 878 11.472 -4.009 17.704 1.00 0.00 N ATOM 0 H ARG A 878 13.181 -8.268 12.873 1.00 0.00 H new ATOM 0 HA ARG A 878 12.041 -9.609 15.187 1.00 0.00 H new ATOM 0 HB2 ARG A 878 11.073 -7.883 12.918 1.00 0.00 H new ATOM 0 HB3 ARG A 878 9.909 -8.900 13.744 1.00 0.00 H new ATOM 0 HG2 ARG A 878 9.786 -6.843 14.882 1.00 0.00 H new ATOM 0 HG3 ARG A 878 10.757 -7.853 15.935 1.00 0.00 H new ATOM 0 HD2 ARG A 878 12.805 -6.843 14.648 1.00 0.00 H new ATOM 0 HD3 ARG A 878 11.672 -5.623 14.103 1.00 0.00 H new ATOM 0 HE ARG A 878 12.786 -5.913 16.791 1.00 0.00 H new ATOM 0 HH11 ARG A 878 10.108 -4.659 14.862 1.00 0.00 H new ATOM 0 HH12 ARG A 878 9.680 -3.423 16.049 1.00 0.00 H new ATOM 0 HH21 ARG A 878 12.230 -4.323 18.310 1.00 0.00 H new ATOM 0 HH22 ARG A 878 10.876 -3.233 17.992 1.00 0.00 H new ATOM 1274 N ASP A 879 12.598 -11.492 13.003 1.00 0.00 N ATOM 1275 CA ASP A 879 12.379 -12.772 12.339 1.00 0.00 C ATOM 1276 C ASP A 879 11.472 -12.605 11.124 1.00 0.00 C ATOM 1277 O ASP A 879 10.708 -13.506 10.778 1.00 0.00 O ATOM 1278 CB ASP A 879 11.764 -13.778 13.314 1.00 0.00 C ATOM 1279 CG ASP A 879 11.609 -15.156 12.702 1.00 0.00 C ATOM 1280 OD1 ASP A 879 12.638 -15.766 12.342 1.00 0.00 O ATOM 1281 OD2 ASP A 879 10.458 -15.626 12.584 1.00 0.00 O ATOM 0 H ASP A 879 13.579 -11.230 13.100 1.00 0.00 H new ATOM 0 HA ASP A 879 13.345 -13.148 12.001 1.00 0.00 H new ATOM 0 HB2 ASP A 879 12.390 -13.847 14.204 1.00 0.00 H new ATOM 0 HB3 ASP A 879 10.788 -13.416 13.638 1.00 0.00 H new ATOM 1286 N TYR A 880 11.563 -11.446 10.480 1.00 0.00 N ATOM 1287 CA TYR A 880 10.749 -11.160 9.305 1.00 0.00 C ATOM 1288 C TYR A 880 11.557 -11.343 8.024 1.00 0.00 C ATOM 1289 O TYR A 880 11.040 -11.814 7.012 1.00 0.00 O ATOM 1290 CB TYR A 880 10.199 -9.734 9.375 1.00 0.00 C ATOM 1291 CG TYR A 880 9.133 -9.547 10.430 1.00 0.00 C ATOM 1292 CD1 TYR A 880 8.119 -10.483 10.595 1.00 0.00 C ATOM 1293 CD2 TYR A 880 9.139 -8.435 11.263 1.00 0.00 C ATOM 1294 CE1 TYR A 880 7.143 -10.316 11.558 1.00 0.00 C ATOM 1295 CE2 TYR A 880 8.167 -8.260 12.229 1.00 0.00 C ATOM 1296 CZ TYR A 880 7.171 -9.204 12.372 1.00 0.00 C ATOM 1297 OH TYR A 880 6.200 -9.034 13.333 1.00 0.00 O ATOM 0 H TYR A 880 12.192 -10.690 10.752 1.00 0.00 H new ATOM 0 HA TYR A 880 9.917 -11.864 9.291 1.00 0.00 H new ATOM 0 HB2 TYR A 880 11.021 -9.046 9.575 1.00 0.00 H new ATOM 0 HB3 TYR A 880 9.787 -9.464 8.403 1.00 0.00 H new ATOM 0 HD1 TYR A 880 8.094 -11.356 9.959 1.00 0.00 H new ATOM 0 HD2 TYR A 880 9.917 -7.694 11.153 1.00 0.00 H new ATOM 0 HE1 TYR A 880 6.362 -11.053 11.673 1.00 0.00 H new ATOM 0 HE2 TYR A 880 8.187 -7.390 12.868 1.00 0.00 H new ATOM 0 HH TYR A 880 6.365 -8.200 13.821 1.00 0.00 H new ATOM 1307 N MET A 881 12.831 -10.966 8.077 1.00 0.00 N ATOM 1308 CA MET A 881 13.713 -11.090 6.922 1.00 0.00 C ATOM 1309 C MET A 881 15.142 -11.395 7.360 1.00 0.00 C ATOM 1310 O MET A 881 15.612 -10.881 8.374 1.00 0.00 O ATOM 1311 CB MET A 881 13.684 -9.805 6.092 1.00 0.00 C ATOM 1312 CG MET A 881 12.283 -9.364 5.702 1.00 0.00 C ATOM 1313 SD MET A 881 11.551 -10.416 4.434 1.00 0.00 S ATOM 1314 CE MET A 881 12.661 -10.115 3.061 1.00 0.00 C ATOM 0 H MET A 881 13.275 -10.573 8.907 1.00 0.00 H new ATOM 0 HA MET A 881 13.356 -11.918 6.309 1.00 0.00 H new ATOM 0 HB2 MET A 881 14.163 -9.006 6.658 1.00 0.00 H new ATOM 0 HB3 MET A 881 14.274 -9.953 5.188 1.00 0.00 H new ATOM 0 HG2 MET A 881 11.645 -9.370 6.586 1.00 0.00 H new ATOM 0 HG3 MET A 881 12.317 -8.336 5.341 1.00 0.00 H new ATOM 0 HE1 MET A 881 12.236 -10.537 2.150 1.00 0.00 H new ATOM 0 HE2 MET A 881 12.799 -9.041 2.934 1.00 0.00 H new ATOM 0 HE3 MET A 881 13.624 -10.584 3.262 1.00 0.00 H new ATOM 1324 N GLU A 882 15.826 -12.234 6.588 1.00 0.00 N ATOM 1325 CA GLU A 882 17.201 -12.607 6.899 1.00 0.00 C ATOM 1326 C GLU A 882 18.154 -12.131 5.806 1.00 0.00 C ATOM 1327 O GLU A 882 17.840 -12.206 4.618 1.00 0.00 O ATOM 1328 CB GLU A 882 17.316 -14.123 7.066 1.00 0.00 C ATOM 1329 CG GLU A 882 17.006 -14.901 5.798 1.00 0.00 C ATOM 1330 CD GLU A 882 17.513 -16.329 5.851 1.00 0.00 C ATOM 1331 OE1 GLU A 882 18.694 -16.527 6.204 1.00 0.00 O ATOM 1332 OE2 GLU A 882 16.727 -17.248 5.539 1.00 0.00 O ATOM 0 H GLU A 882 15.451 -12.667 5.744 1.00 0.00 H new ATOM 0 HA GLU A 882 17.479 -12.123 7.836 1.00 0.00 H new ATOM 0 HB2 GLU A 882 18.326 -14.368 7.395 1.00 0.00 H new ATOM 0 HB3 GLU A 882 16.637 -14.446 7.855 1.00 0.00 H new ATOM 0 HG2 GLU A 882 15.928 -14.908 5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 882 17.454 -14.392 4.945 1.00 0.00 H new ATOM 1339 N ARG A 883 19.319 -11.641 6.217 1.00 0.00 N ATOM 1340 CA ARG A 883 20.317 -11.151 5.274 1.00 0.00 C ATOM 1341 C ARG A 883 21.058 -12.311 4.614 1.00 0.00 C ATOM 1342 O ARG A 883 21.430 -13.279 5.277 1.00 0.00 O ATOM 1343 CB ARG A 883 21.315 -10.234 5.985 1.00 0.00 C ATOM 1344 CG ARG A 883 20.694 -8.948 6.507 1.00 0.00 C ATOM 1345 CD ARG A 883 21.754 -7.898 6.802 1.00 0.00 C ATOM 1346 NE ARG A 883 21.174 -6.672 7.342 1.00 0.00 N ATOM 1347 CZ ARG A 883 21.865 -5.776 8.039 1.00 0.00 C ATOM 1348 NH1 ARG A 883 23.155 -5.969 8.277 1.00 0.00 N ATOM 1349 NH2 ARG A 883 21.267 -4.684 8.497 1.00 0.00 N ATOM 0 H ARG A 883 19.595 -11.573 7.197 1.00 0.00 H new ATOM 0 HA ARG A 883 19.800 -10.584 4.499 1.00 0.00 H new ATOM 0 HB2 ARG A 883 21.764 -10.775 6.818 1.00 0.00 H new ATOM 0 HB3 ARG A 883 22.122 -9.985 5.296 1.00 0.00 H new ATOM 0 HG2 ARG A 883 19.989 -8.559 5.773 1.00 0.00 H new ATOM 0 HG3 ARG A 883 20.126 -9.158 7.413 1.00 0.00 H new ATOM 0 HD2 ARG A 883 22.476 -8.301 7.512 1.00 0.00 H new ATOM 0 HD3 ARG A 883 22.301 -7.668 5.888 1.00 0.00 H new ATOM 0 HE ARG A 883 20.184 -6.493 7.175 1.00 0.00 H new ATOM 0 HH11 ARG A 883 23.619 -6.806 7.925 1.00 0.00 H new ATOM 0 HH12 ARG A 883 23.684 -5.280 8.812 1.00 0.00 H new ATOM 0 HH21 ARG A 883 20.275 -4.531 8.314 1.00 0.00 H new ATOM 0 HH22 ARG A 883 21.799 -3.997 9.032 1.00 0.00 H new ATOM 1363 N ASP A 884 21.267 -12.205 3.307 1.00 0.00 N ATOM 1364 CA ASP A 884 21.963 -13.244 2.557 1.00 0.00 C ATOM 1365 C ASP A 884 23.474 -13.104 2.710 1.00 0.00 C ATOM 1366 O ASP A 884 23.996 -11.997 2.846 1.00 0.00 O ATOM 1367 CB ASP A 884 21.578 -13.180 1.078 1.00 0.00 C ATOM 1368 CG ASP A 884 21.759 -14.511 0.375 1.00 0.00 C ATOM 1369 OD1 ASP A 884 22.848 -15.108 0.504 1.00 0.00 O ATOM 1370 OD2 ASP A 884 20.810 -14.956 -0.304 1.00 0.00 O ATOM 0 H ASP A 884 20.964 -11.410 2.744 1.00 0.00 H new ATOM 0 HA ASP A 884 21.664 -14.212 2.960 1.00 0.00 H new ATOM 0 HB2 ASP A 884 20.539 -12.864 0.989 1.00 0.00 H new ATOM 0 HB3 ASP A 884 22.185 -12.424 0.580 1.00 0.00 H new ATOM 1375 N LYS A 885 24.173 -14.234 2.687 1.00 0.00 N ATOM 1376 CA LYS A 885 25.625 -14.239 2.822 1.00 0.00 C ATOM 1377 C LYS A 885 26.290 -13.699 1.560 1.00 0.00 C ATOM 1378 O LYS A 885 27.265 -12.952 1.634 1.00 0.00 O ATOM 1379 CB LYS A 885 26.125 -15.657 3.109 1.00 0.00 C ATOM 1380 CG LYS A 885 26.180 -15.994 4.589 1.00 0.00 C ATOM 1381 CD LYS A 885 24.787 -16.138 5.180 1.00 0.00 C ATOM 1382 CE LYS A 885 24.831 -16.766 6.564 1.00 0.00 C ATOM 1383 NZ LYS A 885 23.500 -17.291 6.978 1.00 0.00 N ATOM 0 H LYS A 885 23.757 -15.159 2.576 1.00 0.00 H new ATOM 0 HA LYS A 885 25.891 -13.591 3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 885 25.474 -16.372 2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 885 27.120 -15.776 2.680 1.00 0.00 H new ATOM 0 HG2 LYS A 885 26.734 -16.922 4.732 1.00 0.00 H new ATOM 0 HG3 LYS A 885 26.723 -15.213 5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 885 24.313 -15.158 5.239 1.00 0.00 H new ATOM 0 HD3 LYS A 885 24.172 -16.751 4.521 1.00 0.00 H new ATOM 0 HE2 LYS A 885 25.560 -17.577 6.572 1.00 0.00 H new ATOM 0 HE3 LYS A 885 25.170 -16.025 7.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 885 23.572 -17.711 7.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 885 22.810 -16.513 6.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 885 23.187 -18.016 6.301 1.00 0.00 H new ATOM 1397 N GLU A 886 25.757 -14.082 0.405 1.00 0.00 N ATOM 1398 CA GLU A 886 26.300 -13.635 -0.872 1.00 0.00 C ATOM 1399 C GLU A 886 26.512 -12.124 -0.874 1.00 0.00 C ATOM 1400 O GLU A 886 27.493 -11.625 -1.422 1.00 0.00 O ATOM 1401 CB GLU A 886 25.365 -14.032 -2.017 1.00 0.00 C ATOM 1402 CG GLU A 886 24.202 -13.074 -2.212 1.00 0.00 C ATOM 1403 CD GLU A 886 23.473 -13.301 -3.522 1.00 0.00 C ATOM 1404 OE1 GLU A 886 22.975 -14.427 -3.735 1.00 0.00 O ATOM 1405 OE2 GLU A 886 23.399 -12.355 -4.333 1.00 0.00 O ATOM 0 H GLU A 886 24.950 -14.701 0.327 1.00 0.00 H new ATOM 0 HA GLU A 886 27.265 -14.120 -1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 886 25.939 -14.086 -2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 886 24.974 -15.031 -1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 886 23.500 -13.187 -1.386 1.00 0.00 H new ATOM 0 HG3 GLU A 886 24.571 -12.049 -2.179 1.00 0.00 H new ATOM 1412 N ASN A 887 25.582 -11.401 -0.257 1.00 0.00 N ATOM 1413 CA ASN A 887 25.666 -9.947 -0.188 1.00 0.00 C ATOM 1414 C ASN A 887 24.757 -9.401 0.909 1.00 0.00 C ATOM 1415 O ASN A 887 23.613 -9.827 1.071 1.00 0.00 O ATOM 1416 CB ASN A 887 25.285 -9.329 -1.535 1.00 0.00 C ATOM 1417 CG ASN A 887 26.430 -9.357 -2.528 1.00 0.00 C ATOM 1418 OD1 ASN A 887 26.619 -10.338 -3.248 1.00 0.00 O ATOM 1419 ND2 ASN A 887 27.202 -8.277 -2.572 1.00 0.00 N ATOM 0 H ASN A 887 24.762 -11.799 0.202 1.00 0.00 H new ATOM 0 HA ASN A 887 26.695 -9.678 0.050 1.00 0.00 H new ATOM 0 HB2 ASN A 887 24.434 -9.868 -1.951 1.00 0.00 H new ATOM 0 HB3 ASN A 887 24.966 -8.298 -1.381 1.00 0.00 H new ATOM 0 HD21 ASN A 887 27.988 -8.238 -3.221 1.00 0.00 H new ATOM 0 HD22 ASN A 887 27.009 -7.487 -1.957 1.00 0.00 H new ATOM 1426 N PRO A 888 25.277 -8.436 1.682 1.00 0.00 N ATOM 1427 CA PRO A 888 24.529 -7.810 2.777 1.00 0.00 C ATOM 1428 C PRO A 888 23.391 -6.930 2.273 1.00 0.00 C ATOM 1429 O PRO A 888 22.614 -6.392 3.061 1.00 0.00 O ATOM 1430 CB PRO A 888 25.586 -6.962 3.489 1.00 0.00 C ATOM 1431 CG PRO A 888 26.607 -6.674 2.444 1.00 0.00 C ATOM 1432 CD PRO A 888 26.633 -7.880 1.546 1.00 0.00 C ATOM 0 HA PRO A 888 24.052 -8.550 3.420 1.00 0.00 H new ATOM 0 HB2 PRO A 888 25.155 -6.043 3.885 1.00 0.00 H new ATOM 0 HB3 PRO A 888 26.022 -7.499 4.332 1.00 0.00 H new ATOM 0 HG2 PRO A 888 26.349 -5.776 1.883 1.00 0.00 H new ATOM 0 HG3 PRO A 888 27.585 -6.500 2.892 1.00 0.00 H new ATOM 0 HD2 PRO A 888 26.854 -7.608 0.514 1.00 0.00 H new ATOM 0 HD3 PRO A 888 27.394 -8.596 1.857 1.00 0.00 H new ATOM 1440 N ASN A 889 23.298 -6.788 0.955 1.00 0.00 N ATOM 1441 CA ASN A 889 22.254 -5.972 0.346 1.00 0.00 C ATOM 1442 C ASN A 889 21.130 -6.846 -0.202 1.00 0.00 C ATOM 1443 O ASN A 889 20.416 -6.451 -1.123 1.00 0.00 O ATOM 1444 CB ASN A 889 22.839 -5.112 -0.776 1.00 0.00 C ATOM 1445 CG ASN A 889 23.810 -4.068 -0.258 1.00 0.00 C ATOM 1446 OD1 ASN A 889 24.583 -4.328 0.665 1.00 0.00 O ATOM 1447 ND2 ASN A 889 23.775 -2.881 -0.851 1.00 0.00 N ATOM 0 H ASN A 889 23.933 -7.227 0.288 1.00 0.00 H new ATOM 0 HA ASN A 889 21.841 -5.321 1.117 1.00 0.00 H new ATOM 0 HB2 ASN A 889 23.349 -5.754 -1.494 1.00 0.00 H new ATOM 0 HB3 ASN A 889 22.029 -4.617 -1.311 1.00 0.00 H new ATOM 0 HD21 ASN A 889 24.405 -2.140 -0.546 1.00 0.00 H new ATOM 0 HD22 ASN A 889 23.118 -2.710 -1.612 1.00 0.00 H new ATOM 1454 N GLN A 890 20.981 -8.036 0.370 1.00 0.00 N ATOM 1455 CA GLN A 890 19.945 -8.967 -0.061 1.00 0.00 C ATOM 1456 C GLN A 890 19.160 -9.499 1.133 1.00 0.00 C ATOM 1457 O GLN A 890 19.734 -10.063 2.065 1.00 0.00 O ATOM 1458 CB GLN A 890 20.565 -10.130 -0.838 1.00 0.00 C ATOM 1459 CG GLN A 890 19.563 -11.205 -1.226 1.00 0.00 C ATOM 1460 CD GLN A 890 19.926 -11.900 -2.523 1.00 0.00 C ATOM 1461 OE1 GLN A 890 20.462 -11.282 -3.444 1.00 0.00 O ATOM 1462 NE2 GLN A 890 19.636 -13.193 -2.604 1.00 0.00 N ATOM 0 H GLN A 890 21.565 -8.378 1.133 1.00 0.00 H new ATOM 0 HA GLN A 890 19.258 -8.429 -0.714 1.00 0.00 H new ATOM 0 HB2 GLN A 890 21.037 -9.742 -1.741 1.00 0.00 H new ATOM 0 HB3 GLN A 890 21.353 -10.580 -0.234 1.00 0.00 H new ATOM 0 HG2 GLN A 890 19.501 -11.944 -0.427 1.00 0.00 H new ATOM 0 HG3 GLN A 890 18.574 -10.757 -1.323 1.00 0.00 H new ATOM 0 HE21 GLN A 890 19.192 -13.666 -1.817 1.00 0.00 H new ATOM 0 HE22 GLN A 890 19.857 -13.713 -3.453 1.00 0.00 H new ATOM 1471 N TYR A 891 17.844 -9.316 1.099 1.00 0.00 N ATOM 1472 CA TYR A 891 16.980 -9.775 2.180 1.00 0.00 C ATOM 1473 C TYR A 891 16.063 -10.898 1.705 1.00 0.00 C ATOM 1474 O TYR A 891 15.415 -10.787 0.666 1.00 0.00 O ATOM 1475 CB TYR A 891 16.145 -8.614 2.722 1.00 0.00 C ATOM 1476 CG TYR A 891 16.967 -7.406 3.110 1.00 0.00 C ATOM 1477 CD1 TYR A 891 18.047 -7.525 3.976 1.00 0.00 C ATOM 1478 CD2 TYR A 891 16.664 -6.145 2.610 1.00 0.00 C ATOM 1479 CE1 TYR A 891 18.801 -6.424 4.334 1.00 0.00 C ATOM 1480 CE2 TYR A 891 17.413 -5.039 2.961 1.00 0.00 C ATOM 1481 CZ TYR A 891 18.480 -5.183 3.824 1.00 0.00 C ATOM 1482 OH TYR A 891 19.229 -4.084 4.177 1.00 0.00 O ATOM 0 H TYR A 891 17.353 -8.853 0.334 1.00 0.00 H new ATOM 0 HA TYR A 891 17.614 -10.161 2.978 1.00 0.00 H new ATOM 0 HB2 TYR A 891 15.415 -8.319 1.968 1.00 0.00 H new ATOM 0 HB3 TYR A 891 15.584 -8.956 3.592 1.00 0.00 H new ATOM 0 HD1 TYR A 891 18.302 -8.495 4.376 1.00 0.00 H new ATOM 0 HD2 TYR A 891 15.829 -6.028 1.936 1.00 0.00 H new ATOM 0 HE1 TYR A 891 19.637 -6.534 5.009 1.00 0.00 H new ATOM 0 HE2 TYR A 891 17.165 -4.067 2.562 1.00 0.00 H new ATOM 0 HH TYR A 891 20.151 -4.362 4.361 1.00 0.00 H new ATOM 1492 N ASN A 892 16.015 -11.980 2.476 1.00 0.00 N ATOM 1493 CA ASN A 892 15.178 -13.124 2.135 1.00 0.00 C ATOM 1494 C ASN A 892 13.927 -13.162 3.008 1.00 0.00 C ATOM 1495 O ASN A 892 13.937 -12.693 4.146 1.00 0.00 O ATOM 1496 CB ASN A 892 15.966 -14.426 2.297 1.00 0.00 C ATOM 1497 CG ASN A 892 17.281 -14.403 1.542 1.00 0.00 C ATOM 1498 OD1 ASN A 892 18.352 -14.027 2.230 1.00 0.00 O flip ATOM 1499 ND2 ASN A 892 17.332 -14.720 0.353 1.00 0.00 N flip ATOM 0 H ASN A 892 16.546 -12.088 3.340 1.00 0.00 H new ATOM 0 HA ASN A 892 14.871 -13.020 1.094 1.00 0.00 H new ATOM 0 HB2 ASN A 892 16.161 -14.601 3.355 1.00 0.00 H new ATOM 0 HB3 ASN A 892 15.361 -15.260 1.942 1.00 0.00 H new ATOM 0 HD21 ASN A 892 16.483 -15.003 -0.136 1.00 0.00 H new ATOM 0 HD22 ASN A 892 18.223 -14.700 -0.142 1.00 0.00 H new ATOM 1506 N TYR A 893 12.852 -13.724 2.467 1.00 0.00 N ATOM 1507 CA TYR A 893 11.592 -13.822 3.195 1.00 0.00 C ATOM 1508 C TYR A 893 11.580 -15.051 4.098 1.00 0.00 C ATOM 1509 O TYR A 893 11.894 -16.159 3.662 1.00 0.00 O ATOM 1510 CB TYR A 893 10.417 -13.882 2.217 1.00 0.00 C ATOM 1511 CG TYR A 893 9.065 -13.872 2.894 1.00 0.00 C ATOM 1512 CD1 TYR A 893 8.629 -12.757 3.600 1.00 0.00 C ATOM 1513 CD2 TYR A 893 8.225 -14.976 2.829 1.00 0.00 C ATOM 1514 CE1 TYR A 893 7.395 -12.744 4.221 1.00 0.00 C ATOM 1515 CE2 TYR A 893 6.989 -14.971 3.445 1.00 0.00 C ATOM 1516 CZ TYR A 893 6.578 -13.853 4.140 1.00 0.00 C ATOM 1517 OH TYR A 893 5.348 -13.844 4.756 1.00 0.00 O ATOM 0 H TYR A 893 12.828 -14.119 1.527 1.00 0.00 H new ATOM 0 HA TYR A 893 11.491 -12.934 3.819 1.00 0.00 H new ATOM 0 HB2 TYR A 893 10.479 -13.034 1.535 1.00 0.00 H new ATOM 0 HB3 TYR A 893 10.504 -14.784 1.612 1.00 0.00 H new ATOM 0 HD1 TYR A 893 9.265 -11.887 3.664 1.00 0.00 H new ATOM 0 HD2 TYR A 893 8.544 -15.854 2.287 1.00 0.00 H new ATOM 0 HE1 TYR A 893 7.071 -11.870 4.767 1.00 0.00 H new ATOM 0 HE2 TYR A 893 6.348 -15.838 3.383 1.00 0.00 H new ATOM 0 HH TYR A 893 5.379 -14.410 5.556 1.00 0.00 H new ATOM 1527 N ILE A 894 11.213 -14.847 5.359 1.00 0.00 N ATOM 1528 CA ILE A 894 11.157 -15.937 6.324 1.00 0.00 C ATOM 1529 C ILE A 894 9.791 -16.004 6.999 1.00 0.00 C ATOM 1530 O ILE A 894 9.284 -17.087 7.291 1.00 0.00 O ATOM 1531 CB ILE A 894 12.244 -15.789 7.405 1.00 0.00 C ATOM 1532 CG1 ILE A 894 12.366 -14.328 7.839 1.00 0.00 C ATOM 1533 CG2 ILE A 894 13.578 -16.307 6.888 1.00 0.00 C ATOM 1534 CD1 ILE A 894 13.485 -14.083 8.828 1.00 0.00 C ATOM 0 H ILE A 894 10.950 -13.936 5.736 1.00 0.00 H new ATOM 0 HA ILE A 894 11.331 -16.859 5.769 1.00 0.00 H new ATOM 0 HB ILE A 894 11.957 -16.383 8.273 1.00 0.00 H new ATOM 0 HG12 ILE A 894 12.529 -13.708 6.957 1.00 0.00 H new ATOM 0 HG13 ILE A 894 11.423 -14.009 8.283 1.00 0.00 H new ATOM 0 HG21 ILE A 894 14.336 -16.196 7.663 1.00 0.00 H new ATOM 0 HG22 ILE A 894 13.481 -17.360 6.623 1.00 0.00 H new ATOM 0 HG23 ILE A 894 13.873 -15.737 6.007 1.00 0.00 H new ATOM 0 HD11 ILE A 894 13.513 -13.026 9.092 1.00 0.00 H new ATOM 0 HD12 ILE A 894 13.313 -14.676 9.726 1.00 0.00 H new ATOM 0 HD13 ILE A 894 14.436 -14.370 8.380 1.00 0.00 H new ATOM 1546 N ALA A 895 9.200 -14.839 7.243 1.00 0.00 N ATOM 1547 CA ALA A 895 7.891 -14.765 7.880 1.00 0.00 C ATOM 1548 C ALA A 895 6.933 -15.794 7.288 1.00 0.00 C ATOM 1549 O ALA A 895 6.489 -15.658 6.148 1.00 0.00 O ATOM 1550 CB ALA A 895 7.315 -13.364 7.742 1.00 0.00 C ATOM 0 H ALA A 895 9.607 -13.933 7.009 1.00 0.00 H new ATOM 0 HA ALA A 895 8.017 -14.991 8.939 1.00 0.00 H new ATOM 0 HB1 ALA A 895 6.337 -13.324 8.222 1.00 0.00 H new ATOM 0 HB2 ALA A 895 7.983 -12.647 8.219 1.00 0.00 H new ATOM 0 HB3 ALA A 895 7.211 -13.116 6.686 1.00 0.00 H new ATOM 1556 N SER A 896 6.620 -16.823 8.069 1.00 0.00 N ATOM 1557 CA SER A 896 5.718 -17.877 7.620 1.00 0.00 C ATOM 1558 C SER A 896 4.278 -17.563 8.012 1.00 0.00 C ATOM 1559 O SER A 896 3.478 -18.466 8.255 1.00 0.00 O ATOM 1560 CB SER A 896 6.139 -19.223 8.213 1.00 0.00 C ATOM 1561 OG SER A 896 7.375 -19.655 7.672 1.00 0.00 O ATOM 0 H SER A 896 6.978 -16.949 9.016 1.00 0.00 H new ATOM 0 HA SER A 896 5.776 -17.933 6.533 1.00 0.00 H new ATOM 0 HB2 SER A 896 6.223 -19.136 9.296 1.00 0.00 H new ATOM 0 HB3 SER A 896 5.370 -19.969 8.012 1.00 0.00 H new ATOM 0 HG SER A 896 7.994 -18.897 7.623 1.00 0.00 H new ATOM 1567 N GLY A 897 3.954 -16.275 8.072 1.00 0.00 N ATOM 1568 CA GLY A 897 2.611 -15.863 8.435 1.00 0.00 C ATOM 1569 C GLY A 897 1.589 -16.217 7.372 1.00 0.00 C ATOM 1570 O GLY A 897 1.893 -16.263 6.180 1.00 0.00 O ATOM 0 H GLY A 897 4.598 -15.509 7.875 1.00 0.00 H new ATOM 0 HA2 GLY A 897 2.331 -16.336 9.376 1.00 0.00 H new ATOM 0 HA3 GLY A 897 2.598 -14.786 8.603 1.00 0.00 H new ATOM 1574 N PRO A 898 0.346 -16.475 7.804 1.00 0.00 N ATOM 1575 CA PRO A 898 -0.749 -16.832 6.896 1.00 0.00 C ATOM 1576 C PRO A 898 -1.189 -15.658 6.029 1.00 0.00 C ATOM 1577 O PRO A 898 -1.338 -14.537 6.515 1.00 0.00 O ATOM 1578 CB PRO A 898 -1.875 -17.248 7.846 1.00 0.00 C ATOM 1579 CG PRO A 898 -1.585 -16.526 9.116 1.00 0.00 C ATOM 1580 CD PRO A 898 -0.087 -16.439 9.211 1.00 0.00 C ATOM 0 HA PRO A 898 -0.458 -17.611 6.191 1.00 0.00 H new ATOM 0 HB2 PRO A 898 -2.851 -16.972 7.448 1.00 0.00 H new ATOM 0 HB3 PRO A 898 -1.886 -18.327 7.998 1.00 0.00 H new ATOM 0 HG2 PRO A 898 -2.034 -15.533 9.111 1.00 0.00 H new ATOM 0 HG3 PRO A 898 -2.000 -17.059 9.971 1.00 0.00 H new ATOM 0 HD2 PRO A 898 0.232 -15.522 9.706 1.00 0.00 H new ATOM 0 HD3 PRO A 898 0.329 -17.270 9.781 1.00 0.00 H new ATOM 1588 N SER A 899 -1.397 -15.923 4.743 1.00 0.00 N ATOM 1589 CA SER A 899 -1.817 -14.887 3.807 1.00 0.00 C ATOM 1590 C SER A 899 -3.292 -15.042 3.452 1.00 0.00 C ATOM 1591 O SER A 899 -3.818 -16.154 3.407 1.00 0.00 O ATOM 1592 CB SER A 899 -0.966 -14.942 2.537 1.00 0.00 C ATOM 1593 OG SER A 899 -1.013 -16.230 1.947 1.00 0.00 O ATOM 0 H SER A 899 -1.281 -16.847 4.326 1.00 0.00 H new ATOM 0 HA SER A 899 -1.677 -13.919 4.288 1.00 0.00 H new ATOM 0 HB2 SER A 899 -1.323 -14.199 1.824 1.00 0.00 H new ATOM 0 HB3 SER A 899 0.066 -14.685 2.776 1.00 0.00 H new ATOM 0 HG SER A 899 -0.463 -16.239 1.136 1.00 0.00 H new ATOM 1599 N SER A 900 -3.955 -13.917 3.200 1.00 0.00 N ATOM 1600 CA SER A 900 -5.371 -13.926 2.852 1.00 0.00 C ATOM 1601 C SER A 900 -5.691 -15.079 1.905 1.00 0.00 C ATOM 1602 O SER A 900 -6.568 -15.898 2.179 1.00 0.00 O ATOM 1603 CB SER A 900 -5.768 -12.597 2.208 1.00 0.00 C ATOM 1604 OG SER A 900 -6.116 -11.638 3.191 1.00 0.00 O ATOM 0 H SER A 900 -3.534 -12.988 3.230 1.00 0.00 H new ATOM 0 HA SER A 900 -5.944 -14.063 3.769 1.00 0.00 H new ATOM 0 HB2 SER A 900 -4.942 -12.221 1.605 1.00 0.00 H new ATOM 0 HB3 SER A 900 -6.610 -12.753 1.534 1.00 0.00 H new ATOM 0 HG SER A 900 -6.364 -10.797 2.754 1.00 0.00 H new ATOM 1610 N GLY A 901 -4.972 -15.136 0.788 1.00 0.00 N ATOM 1611 CA GLY A 901 -5.193 -16.191 -0.183 1.00 0.00 C ATOM 1612 C GLY A 901 -4.179 -16.163 -1.310 1.00 0.00 C ATOM 1613 O GLY A 901 -3.299 -15.302 -1.341 1.00 0.00 O ATOM 0 H GLY A 901 -4.241 -14.470 0.539 1.00 0.00 H new ATOM 0 HA2 GLY A 901 -5.148 -17.158 0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 901 -6.196 -16.094 -0.598 1.00 0.00 H new TER 1617 GLY A 901