USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 903 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 826 TYR OH : rot 40:sc= 1.08 USER MOD Set 1.2: A 880 SER OG : rot 88:sc= 2.12 USER MOD Set 2.1: A 810 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 850 MET CE :methyl -145:sc= -0.101 (180deg=-0.16) USER MOD Single : A 775 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 776 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 781 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 786 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 789 GLN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 793 THR OG1 : rot 180:sc= 0 USER MOD Single : A 795 SER OG : rot 180:sc= 0.193 USER MOD Single : A 802 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 804 GLN : amide:sc= 0.175 K(o=0.17,f=-1.5) USER MOD Single : A 806 HIS :FLIP no HE2:sc= 0.326 F(o=-2.8!,f=0.33) USER MOD Single : A 808 SER OG : rot -92:sc= 1.27 USER MOD Single : A 811 TYR OH : rot -133:sc= 1.21 USER MOD Single : A 817 THR OG1 : rot -170:sc= 0 USER MOD Single : A 823 LYS NZ :NH3+ 173:sc= 1.29 (180deg=1.11) USER MOD Single : A 827 THR OG1 : rot 82:sc= 1.24 USER MOD Single : A 831 THR OG1 : rot -172:sc= -1.41! USER MOD Single : A 832 SER OG : rot 180:sc= -0.0046 USER MOD Single : A 839 GLN : amide:sc= -0.751 K(o=-0.75,f=-1.3!) USER MOD Single : A 840 THR OG1 : rot 79:sc= 1.27 USER MOD Single : A 842 HIS : no HE2:sc= 1.1 K(o=1.1,f=-5.9!) USER MOD Single : A 845 LYS NZ :NH3+ -137:sc= 2.43 (180deg=-1) USER MOD Single : A 852 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 857 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 858 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 860 CYS SG : rot 67:sc= -1.22! USER MOD Single : A 862 THR OG1 : rot 77:sc= 1.17 USER MOD Single : A 865 HIS : no HD1:sc= -0.0555 X(o=-0.055,f=-0.0056) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 877 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 878 TYR OH : rot 180:sc= 0 USER MOD Single : A 884 SER OG : rot -95:sc= 0.302 USER MOD Single : A 885 TYR OH : rot 30:sc= 0 USER MOD Single : A 887 LYS NZ :NH3+ -146:sc= 1.2 (180deg=0.389) USER MOD Single : A 888 SER OG : rot 57:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 775 -35.740 15.234 -25.696 1.00 0.00 N ATOM 2 CA MET A 775 -36.137 14.354 -24.570 1.00 0.00 C ATOM 3 C MET A 775 -36.305 12.918 -25.049 1.00 0.00 C ATOM 4 O MET A 775 -36.245 12.654 -26.250 1.00 0.00 O ATOM 5 CB MET A 775 -37.441 14.853 -23.945 1.00 0.00 C ATOM 6 CG MET A 775 -37.369 15.002 -22.436 1.00 0.00 C ATOM 7 SD MET A 775 -35.923 15.936 -21.900 1.00 0.00 S ATOM 8 CE MET A 775 -36.711 17.303 -21.050 1.00 0.00 C ATOM 0 HA MET A 775 -35.350 14.380 -23.817 1.00 0.00 H new ATOM 0 HB2 MET A 775 -37.701 15.815 -24.386 1.00 0.00 H new ATOM 0 HB3 MET A 775 -38.244 14.160 -24.196 1.00 0.00 H new ATOM 0 HG2 MET A 775 -38.271 15.500 -22.080 1.00 0.00 H new ATOM 0 HG3 MET A 775 -37.349 14.013 -21.977 1.00 0.00 H new ATOM 0 HE1 MET A 775 -35.948 17.976 -20.658 1.00 0.00 H new ATOM 0 HE2 MET A 775 -37.349 17.846 -21.747 1.00 0.00 H new ATOM 0 HE3 MET A 775 -37.315 16.920 -20.227 1.00 0.00 H new ATOM 20 N GLN A 776 -36.503 11.995 -24.098 1.00 0.00 N ATOM 21 CA GLN A 776 -36.651 10.558 -24.376 1.00 0.00 C ATOM 22 C GLN A 776 -35.310 9.898 -24.716 1.00 0.00 C ATOM 23 O GLN A 776 -35.004 8.823 -24.207 1.00 0.00 O ATOM 24 CB GLN A 776 -37.673 10.303 -25.492 1.00 0.00 C ATOM 25 CG GLN A 776 -37.629 8.892 -26.054 1.00 0.00 C ATOM 26 CD GLN A 776 -38.953 8.459 -26.645 1.00 0.00 C ATOM 27 OE1 GLN A 776 -39.990 8.493 -25.979 1.00 0.00 O ATOM 28 NE2 GLN A 776 -38.924 8.037 -27.896 1.00 0.00 N ATOM 0 H GLN A 776 -36.566 12.225 -23.106 1.00 0.00 H new ATOM 0 HA GLN A 776 -37.024 10.100 -23.460 1.00 0.00 H new ATOM 0 HB2 GLN A 776 -38.674 10.500 -25.107 1.00 0.00 H new ATOM 0 HB3 GLN A 776 -37.498 11.012 -26.301 1.00 0.00 H new ATOM 0 HG2 GLN A 776 -36.857 8.834 -26.821 1.00 0.00 H new ATOM 0 HG3 GLN A 776 -37.344 8.198 -25.263 1.00 0.00 H new ATOM 0 HE21 GLN A 776 -38.043 8.026 -28.410 1.00 0.00 H new ATOM 0 HE22 GLN A 776 -39.782 7.722 -28.348 1.00 0.00 H new ATOM 37 N GLU A 777 -34.521 10.543 -25.570 1.00 0.00 N ATOM 38 CA GLU A 777 -33.216 10.016 -25.971 1.00 0.00 C ATOM 39 C GLU A 777 -32.340 9.736 -24.756 1.00 0.00 C ATOM 40 O GLU A 777 -31.981 8.590 -24.475 1.00 0.00 O ATOM 41 CB GLU A 777 -32.487 11.004 -26.896 1.00 0.00 C ATOM 42 CG GLU A 777 -33.278 12.265 -27.223 1.00 0.00 C ATOM 43 CD GLU A 777 -33.145 13.359 -26.174 1.00 0.00 C ATOM 44 OE1 GLU A 777 -32.946 13.038 -24.984 1.00 0.00 O ATOM 45 OE2 GLU A 777 -33.283 14.547 -26.534 1.00 0.00 O ATOM 0 H GLU A 777 -34.762 11.436 -26.001 1.00 0.00 H new ATOM 0 HA GLU A 777 -33.395 9.083 -26.506 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -31.545 11.292 -26.429 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -32.238 10.495 -27.827 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -32.944 12.654 -28.185 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -34.331 12.005 -27.333 1.00 0.00 H new ATOM 52 N ALA A 778 -31.996 10.796 -24.051 1.00 0.00 N ATOM 53 CA ALA A 778 -31.166 10.700 -22.866 1.00 0.00 C ATOM 54 C ALA A 778 -31.686 11.622 -21.775 1.00 0.00 C ATOM 55 O ALA A 778 -31.487 11.363 -20.586 1.00 0.00 O ATOM 56 CB ALA A 778 -29.731 11.051 -23.209 1.00 0.00 C ATOM 0 H ALA A 778 -32.283 11.747 -24.283 1.00 0.00 H new ATOM 0 HA ALA A 778 -31.202 9.675 -22.497 1.00 0.00 H new ATOM 0 HB1 ALA A 778 -29.114 10.976 -22.313 1.00 0.00 H new ATOM 0 HB2 ALA A 778 -29.358 10.360 -23.965 1.00 0.00 H new ATOM 0 HB3 ALA A 778 -29.688 12.069 -23.595 1.00 0.00 H new ATOM 62 N VAL A 779 -32.357 12.700 -22.196 1.00 0.00 N ATOM 63 CA VAL A 779 -32.890 13.713 -21.283 1.00 0.00 C ATOM 64 C VAL A 779 -31.761 14.569 -20.705 1.00 0.00 C ATOM 65 O VAL A 779 -31.648 15.754 -21.019 1.00 0.00 O ATOM 66 CB VAL A 779 -33.721 13.092 -20.131 1.00 0.00 C ATOM 67 CG1 VAL A 779 -34.284 14.175 -19.217 1.00 0.00 C ATOM 68 CG2 VAL A 779 -34.848 12.227 -20.683 1.00 0.00 C ATOM 0 H VAL A 779 -32.545 12.893 -23.180 1.00 0.00 H new ATOM 0 HA VAL A 779 -33.558 14.343 -21.870 1.00 0.00 H new ATOM 0 HB VAL A 779 -33.055 12.460 -19.543 1.00 0.00 H new ATOM 0 HG11 VAL A 779 -34.863 13.712 -18.418 1.00 0.00 H new ATOM 0 HG12 VAL A 779 -33.464 14.749 -18.786 1.00 0.00 H new ATOM 0 HG13 VAL A 779 -34.928 14.839 -19.793 1.00 0.00 H new ATOM 0 HG21 VAL A 779 -35.418 11.801 -19.857 1.00 0.00 H new ATOM 0 HG22 VAL A 779 -35.506 12.838 -21.301 1.00 0.00 H new ATOM 0 HG23 VAL A 779 -34.427 11.422 -21.286 1.00 0.00 H new ATOM 78 N LEU A 780 -30.920 13.958 -19.885 1.00 0.00 N ATOM 79 CA LEU A 780 -29.796 14.655 -19.276 1.00 0.00 C ATOM 80 C LEU A 780 -28.491 14.014 -19.718 1.00 0.00 C ATOM 81 O LEU A 780 -28.452 13.300 -20.721 1.00 0.00 O ATOM 82 CB LEU A 780 -29.901 14.614 -17.751 1.00 0.00 C ATOM 83 CG LEU A 780 -31.246 15.052 -17.175 1.00 0.00 C ATOM 84 CD1 LEU A 780 -31.447 14.456 -15.791 1.00 0.00 C ATOM 85 CD2 LEU A 780 -31.334 16.570 -17.121 1.00 0.00 C ATOM 0 H LEU A 780 -30.995 12.975 -19.624 1.00 0.00 H new ATOM 0 HA LEU A 780 -29.816 15.696 -19.599 1.00 0.00 H new ATOM 0 HB2 LEU A 780 -29.696 13.597 -17.417 1.00 0.00 H new ATOM 0 HB3 LEU A 780 -29.121 15.250 -17.333 1.00 0.00 H new ATOM 0 HG LEU A 780 -32.039 14.686 -17.828 1.00 0.00 H new ATOM 0 HD11 LEU A 780 -32.410 14.777 -15.393 1.00 0.00 H new ATOM 0 HD12 LEU A 780 -31.426 13.368 -15.857 1.00 0.00 H new ATOM 0 HD13 LEU A 780 -30.650 14.795 -15.130 1.00 0.00 H new ATOM 0 HD21 LEU A 780 -32.299 16.864 -16.708 1.00 0.00 H new ATOM 0 HD22 LEU A 780 -30.535 16.959 -16.489 1.00 0.00 H new ATOM 0 HD23 LEU A 780 -31.231 16.976 -18.127 1.00 0.00 H new ATOM 97 N GLN A 781 -27.425 14.266 -18.977 1.00 0.00 N ATOM 98 CA GLN A 781 -26.151 13.632 -19.262 1.00 0.00 C ATOM 99 C GLN A 781 -26.094 12.281 -18.564 1.00 0.00 C ATOM 100 O GLN A 781 -25.702 11.279 -19.161 1.00 0.00 O ATOM 101 CB GLN A 781 -24.989 14.519 -18.816 1.00 0.00 C ATOM 102 CG GLN A 781 -24.372 15.319 -19.955 1.00 0.00 C ATOM 103 CD GLN A 781 -23.570 16.516 -19.479 1.00 0.00 C ATOM 104 OE1 GLN A 781 -22.924 16.480 -18.428 1.00 0.00 O ATOM 105 NE2 GLN A 781 -23.606 17.588 -20.255 1.00 0.00 N ATOM 0 H GLN A 781 -27.417 14.901 -18.179 1.00 0.00 H new ATOM 0 HA GLN A 781 -26.060 13.485 -20.338 1.00 0.00 H new ATOM 0 HB2 GLN A 781 -25.340 15.207 -18.047 1.00 0.00 H new ATOM 0 HB3 GLN A 781 -24.220 13.896 -18.360 1.00 0.00 H new ATOM 0 HG2 GLN A 781 -23.725 14.666 -20.540 1.00 0.00 H new ATOM 0 HG3 GLN A 781 -25.164 15.662 -20.620 1.00 0.00 H new ATOM 0 HE21 GLN A 781 -24.153 17.576 -21.116 1.00 0.00 H new ATOM 0 HE22 GLN A 781 -23.087 18.426 -19.992 1.00 0.00 H new ATOM 114 N LEU A 782 -26.498 12.268 -17.298 1.00 0.00 N ATOM 115 CA LEU A 782 -26.581 11.037 -16.518 1.00 0.00 C ATOM 116 C LEU A 782 -27.220 11.316 -15.161 1.00 0.00 C ATOM 117 O LEU A 782 -28.142 10.623 -14.734 1.00 0.00 O ATOM 118 CB LEU A 782 -25.186 10.400 -16.347 1.00 0.00 C ATOM 119 CG LEU A 782 -24.221 11.107 -15.382 1.00 0.00 C ATOM 120 CD1 LEU A 782 -23.200 10.120 -14.837 1.00 0.00 C ATOM 121 CD2 LEU A 782 -23.518 12.268 -16.068 1.00 0.00 C ATOM 0 H LEU A 782 -26.776 13.105 -16.786 1.00 0.00 H new ATOM 0 HA LEU A 782 -27.208 10.327 -17.057 1.00 0.00 H new ATOM 0 HB2 LEU A 782 -25.320 9.374 -16.004 1.00 0.00 H new ATOM 0 HB3 LEU A 782 -24.712 10.350 -17.327 1.00 0.00 H new ATOM 0 HG LEU A 782 -24.804 11.505 -14.551 1.00 0.00 H new ATOM 0 HD11 LEU A 782 -22.524 10.635 -14.155 1.00 0.00 H new ATOM 0 HD12 LEU A 782 -23.715 9.322 -14.303 1.00 0.00 H new ATOM 0 HD13 LEU A 782 -22.629 9.695 -15.662 1.00 0.00 H new ATOM 0 HD21 LEU A 782 -22.841 12.751 -15.363 1.00 0.00 H new ATOM 0 HD22 LEU A 782 -22.950 11.897 -16.921 1.00 0.00 H new ATOM 0 HD23 LEU A 782 -24.259 12.990 -16.412 1.00 0.00 H new ATOM 133 N ILE A 783 -26.724 12.360 -14.509 1.00 0.00 N ATOM 134 CA ILE A 783 -27.179 12.794 -13.189 1.00 0.00 C ATOM 135 C ILE A 783 -26.458 14.079 -12.834 1.00 0.00 C ATOM 136 O ILE A 783 -26.870 14.812 -11.935 1.00 0.00 O ATOM 137 CB ILE A 783 -26.913 11.784 -12.045 1.00 0.00 C ATOM 138 CG1 ILE A 783 -25.927 10.683 -12.455 1.00 0.00 C ATOM 139 CG2 ILE A 783 -28.220 11.178 -11.559 1.00 0.00 C ATOM 140 CD1 ILE A 783 -25.662 9.664 -11.364 1.00 0.00 C ATOM 0 H ILE A 783 -25.978 12.943 -14.889 1.00 0.00 H new ATOM 0 HA ILE A 783 -28.260 12.908 -13.268 1.00 0.00 H new ATOM 0 HB ILE A 783 -26.450 12.337 -11.228 1.00 0.00 H new ATOM 0 HG12 ILE A 783 -26.316 10.168 -13.334 1.00 0.00 H new ATOM 0 HG13 ILE A 783 -24.983 11.143 -12.747 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -28.016 10.470 -10.755 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -28.873 11.969 -11.189 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -28.709 10.659 -12.383 1.00 0.00 H new ATOM 0 HD11 ILE A 783 -24.956 8.917 -11.727 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -25.243 10.166 -10.492 1.00 0.00 H new ATOM 0 HD13 ILE A 783 -26.596 9.175 -11.088 1.00 0.00 H new ATOM 152 N GLU A 784 -25.346 14.307 -13.534 1.00 0.00 N ATOM 153 CA GLU A 784 -24.585 15.543 -13.434 1.00 0.00 C ATOM 154 C GLU A 784 -23.941 15.688 -12.062 1.00 0.00 C ATOM 155 O GLU A 784 -23.815 16.787 -11.522 1.00 0.00 O ATOM 156 CB GLU A 784 -25.472 16.739 -13.768 1.00 0.00 C ATOM 157 CG GLU A 784 -25.735 16.878 -15.258 1.00 0.00 C ATOM 158 CD GLU A 784 -26.879 16.007 -15.746 1.00 0.00 C ATOM 159 OE1 GLU A 784 -26.643 14.812 -16.047 1.00 0.00 O ATOM 160 OE2 GLU A 784 -28.014 16.516 -15.842 1.00 0.00 O ATOM 0 H GLU A 784 -24.950 13.633 -14.189 1.00 0.00 H new ATOM 0 HA GLU A 784 -23.775 15.508 -14.163 1.00 0.00 H new ATOM 0 HB2 GLU A 784 -26.422 16.639 -13.244 1.00 0.00 H new ATOM 0 HB3 GLU A 784 -25.000 17.650 -13.400 1.00 0.00 H new ATOM 0 HG2 GLU A 784 -25.958 17.920 -15.486 1.00 0.00 H new ATOM 0 HG3 GLU A 784 -24.829 16.618 -15.806 1.00 0.00 H new ATOM 167 N VAL A 785 -23.519 14.558 -11.515 1.00 0.00 N ATOM 168 CA VAL A 785 -22.811 14.521 -10.245 1.00 0.00 C ATOM 169 C VAL A 785 -21.342 14.188 -10.477 1.00 0.00 C ATOM 170 O VAL A 785 -20.670 13.667 -9.591 1.00 0.00 O ATOM 171 CB VAL A 785 -23.421 13.470 -9.289 1.00 0.00 C ATOM 172 CG1 VAL A 785 -24.844 13.842 -8.914 1.00 0.00 C ATOM 173 CG2 VAL A 785 -23.383 12.081 -9.914 1.00 0.00 C ATOM 0 H VAL A 785 -23.658 13.641 -11.939 1.00 0.00 H new ATOM 0 HA VAL A 785 -22.904 15.505 -9.786 1.00 0.00 H new ATOM 0 HB VAL A 785 -22.819 13.455 -8.381 1.00 0.00 H new ATOM 0 HG11 VAL A 785 -25.252 13.088 -8.241 1.00 0.00 H new ATOM 0 HG12 VAL A 785 -24.848 14.812 -8.417 1.00 0.00 H new ATOM 0 HG13 VAL A 785 -25.456 13.894 -9.815 1.00 0.00 H new ATOM 0 HG21 VAL A 785 -23.817 11.359 -9.223 1.00 0.00 H new ATOM 0 HG22 VAL A 785 -23.954 12.084 -10.842 1.00 0.00 H new ATOM 0 HG23 VAL A 785 -22.350 11.805 -10.125 1.00 0.00 H new ATOM 183 N GLN A 786 -20.863 14.524 -11.676 1.00 0.00 N ATOM 184 CA GLN A 786 -19.530 14.137 -12.154 1.00 0.00 C ATOM 185 C GLN A 786 -18.447 14.356 -11.100 1.00 0.00 C ATOM 186 O GLN A 786 -17.743 13.421 -10.722 1.00 0.00 O ATOM 187 CB GLN A 786 -19.181 14.927 -13.416 1.00 0.00 C ATOM 188 CG GLN A 786 -19.675 14.279 -14.701 1.00 0.00 C ATOM 189 CD GLN A 786 -19.204 15.011 -15.946 1.00 0.00 C ATOM 190 OE1 GLN A 786 -18.227 15.765 -15.909 1.00 0.00 O ATOM 191 NE2 GLN A 786 -19.889 14.789 -17.056 1.00 0.00 N ATOM 0 H GLN A 786 -21.392 15.077 -12.350 1.00 0.00 H new ATOM 0 HA GLN A 786 -19.564 13.070 -12.374 1.00 0.00 H new ATOM 0 HB2 GLN A 786 -19.607 15.927 -13.337 1.00 0.00 H new ATOM 0 HB3 GLN A 786 -18.099 15.045 -13.472 1.00 0.00 H new ATOM 0 HG2 GLN A 786 -19.328 13.246 -14.739 1.00 0.00 H new ATOM 0 HG3 GLN A 786 -20.765 14.249 -14.692 1.00 0.00 H new ATOM 0 HE21 GLN A 786 -20.690 14.158 -17.043 1.00 0.00 H new ATOM 0 HE22 GLN A 786 -19.616 15.249 -17.925 1.00 0.00 H new ATOM 200 N LEU A 787 -18.325 15.582 -10.619 1.00 0.00 N ATOM 201 CA LEU A 787 -17.295 15.911 -9.646 1.00 0.00 C ATOM 202 C LEU A 787 -17.912 16.174 -8.276 1.00 0.00 C ATOM 203 O LEU A 787 -17.443 17.034 -7.527 1.00 0.00 O ATOM 204 CB LEU A 787 -16.498 17.132 -10.113 1.00 0.00 C ATOM 205 CG LEU A 787 -15.472 16.850 -11.210 1.00 0.00 C ATOM 206 CD1 LEU A 787 -15.394 18.023 -12.177 1.00 0.00 C ATOM 207 CD2 LEU A 787 -14.105 16.578 -10.602 1.00 0.00 C ATOM 0 H LEU A 787 -18.924 16.364 -10.885 1.00 0.00 H new ATOM 0 HA LEU A 787 -16.618 15.061 -9.559 1.00 0.00 H new ATOM 0 HB2 LEU A 787 -17.196 17.887 -10.474 1.00 0.00 H new ATOM 0 HB3 LEU A 787 -15.981 17.561 -9.254 1.00 0.00 H new ATOM 0 HG LEU A 787 -15.790 15.964 -11.760 1.00 0.00 H new ATOM 0 HD11 LEU A 787 -14.659 17.807 -12.952 1.00 0.00 H new ATOM 0 HD12 LEU A 787 -16.370 18.182 -12.636 1.00 0.00 H new ATOM 0 HD13 LEU A 787 -15.097 18.921 -11.636 1.00 0.00 H new ATOM 0 HD21 LEU A 787 -13.386 16.379 -11.397 1.00 0.00 H new ATOM 0 HD22 LEU A 787 -13.782 17.448 -10.030 1.00 0.00 H new ATOM 0 HD23 LEU A 787 -14.166 15.712 -9.943 1.00 0.00 H new ATOM 219 N ALA A 788 -18.962 15.431 -7.952 1.00 0.00 N ATOM 220 CA ALA A 788 -19.662 15.618 -6.687 1.00 0.00 C ATOM 221 C ALA A 788 -20.133 14.284 -6.115 1.00 0.00 C ATOM 222 O ALA A 788 -19.545 13.775 -5.158 1.00 0.00 O ATOM 223 CB ALA A 788 -20.840 16.564 -6.873 1.00 0.00 C ATOM 0 H ALA A 788 -19.347 14.696 -8.545 1.00 0.00 H new ATOM 0 HA ALA A 788 -18.965 16.059 -5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 788 -21.355 16.696 -5.921 1.00 0.00 H new ATOM 0 HB2 ALA A 788 -20.479 17.530 -7.227 1.00 0.00 H new ATOM 0 HB3 ALA A 788 -21.531 16.145 -7.604 1.00 0.00 H new ATOM 229 N GLN A 789 -21.173 13.719 -6.744 1.00 0.00 N ATOM 230 CA GLN A 789 -21.837 12.483 -6.292 1.00 0.00 C ATOM 231 C GLN A 789 -21.952 12.419 -4.768 1.00 0.00 C ATOM 232 O GLN A 789 -22.291 13.410 -4.115 1.00 0.00 O ATOM 233 CB GLN A 789 -21.135 11.216 -6.829 1.00 0.00 C ATOM 234 CG GLN A 789 -19.774 11.449 -7.471 1.00 0.00 C ATOM 235 CD GLN A 789 -18.651 10.761 -6.717 1.00 0.00 C ATOM 236 OE1 GLN A 789 -18.315 9.610 -6.991 1.00 0.00 O ATOM 237 NE2 GLN A 789 -18.071 11.462 -5.757 1.00 0.00 N ATOM 0 H GLN A 789 -21.584 14.110 -7.592 1.00 0.00 H new ATOM 0 HA GLN A 789 -22.844 12.512 -6.707 1.00 0.00 H new ATOM 0 HB2 GLN A 789 -21.014 10.511 -6.006 1.00 0.00 H new ATOM 0 HB3 GLN A 789 -21.788 10.742 -7.562 1.00 0.00 H new ATOM 0 HG2 GLN A 789 -19.793 11.086 -8.498 1.00 0.00 H new ATOM 0 HG3 GLN A 789 -19.575 12.520 -7.515 1.00 0.00 H new ATOM 0 HE21 GLN A 789 -18.381 12.414 -5.562 1.00 0.00 H new ATOM 0 HE22 GLN A 789 -17.314 11.050 -5.211 1.00 0.00 H new ATOM 246 N GLU A 790 -21.689 11.247 -4.213 1.00 0.00 N ATOM 247 CA GLU A 790 -21.704 11.060 -2.779 1.00 0.00 C ATOM 248 C GLU A 790 -20.608 10.087 -2.375 1.00 0.00 C ATOM 249 O GLU A 790 -20.356 9.099 -3.069 1.00 0.00 O ATOM 250 CB GLU A 790 -23.067 10.548 -2.315 1.00 0.00 C ATOM 251 CG GLU A 790 -23.758 9.632 -3.310 1.00 0.00 C ATOM 252 CD GLU A 790 -25.015 9.014 -2.742 1.00 0.00 C ATOM 253 OE1 GLU A 790 -25.976 9.761 -2.451 1.00 0.00 O ATOM 254 OE2 GLU A 790 -25.048 7.778 -2.572 1.00 0.00 O ATOM 0 H GLU A 790 -21.461 10.406 -4.743 1.00 0.00 H new ATOM 0 HA GLU A 790 -21.521 12.021 -2.299 1.00 0.00 H new ATOM 0 HB2 GLU A 790 -22.941 10.014 -1.373 1.00 0.00 H new ATOM 0 HB3 GLU A 790 -23.714 11.402 -2.113 1.00 0.00 H new ATOM 0 HG2 GLU A 790 -24.007 10.197 -4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 790 -23.071 8.841 -3.611 1.00 0.00 H new ATOM 261 N GLU A 791 -19.949 10.379 -1.267 1.00 0.00 N ATOM 262 CA GLU A 791 -18.848 9.556 -0.791 1.00 0.00 C ATOM 263 C GLU A 791 -19.360 8.467 0.141 1.00 0.00 C ATOM 264 O GLU A 791 -20.354 8.658 0.842 1.00 0.00 O ATOM 265 CB GLU A 791 -17.811 10.417 -0.069 1.00 0.00 C ATOM 266 CG GLU A 791 -18.393 11.677 0.550 1.00 0.00 C ATOM 267 CD GLU A 791 -17.325 12.666 0.951 1.00 0.00 C ATOM 268 OE1 GLU A 791 -16.686 13.257 0.054 1.00 0.00 O ATOM 269 OE2 GLU A 791 -17.108 12.849 2.166 1.00 0.00 O ATOM 0 H GLU A 791 -20.158 11.184 -0.677 1.00 0.00 H new ATOM 0 HA GLU A 791 -18.375 9.085 -1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 791 -17.338 9.823 0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 791 -17.028 10.696 -0.774 1.00 0.00 H new ATOM 0 HG2 GLU A 791 -19.072 12.148 -0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 791 -18.984 11.409 1.426 1.00 0.00 H new ATOM 276 N VAL A 792 -18.684 7.329 0.139 1.00 0.00 N ATOM 277 CA VAL A 792 -19.080 6.202 0.969 1.00 0.00 C ATOM 278 C VAL A 792 -17.868 5.627 1.697 1.00 0.00 C ATOM 279 O VAL A 792 -16.775 5.548 1.131 1.00 0.00 O ATOM 280 CB VAL A 792 -19.754 5.087 0.133 1.00 0.00 C ATOM 281 CG1 VAL A 792 -21.139 5.517 -0.332 1.00 0.00 C ATOM 282 CG2 VAL A 792 -18.891 4.701 -1.062 1.00 0.00 C ATOM 0 H VAL A 792 -17.855 7.161 -0.431 1.00 0.00 H new ATOM 0 HA VAL A 792 -19.804 6.572 1.696 1.00 0.00 H new ATOM 0 HB VAL A 792 -19.862 4.212 0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -21.591 4.716 -0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -21.764 5.730 0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -21.054 6.413 -0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -19.388 3.916 -1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -18.741 5.572 -1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -17.925 4.338 -0.711 1.00 0.00 H new ATOM 292 N THR A 793 -18.058 5.241 2.951 1.00 0.00 N ATOM 293 CA THR A 793 -16.988 4.641 3.735 1.00 0.00 C ATOM 294 C THR A 793 -16.750 3.186 3.327 1.00 0.00 C ATOM 295 O THR A 793 -16.996 2.258 4.098 1.00 0.00 O ATOM 296 CB THR A 793 -17.285 4.704 5.242 1.00 0.00 C ATOM 297 OG1 THR A 793 -17.940 5.940 5.571 1.00 0.00 O ATOM 298 CG2 THR A 793 -16.001 4.573 6.050 1.00 0.00 C ATOM 0 H THR A 793 -18.944 5.333 3.448 1.00 0.00 H new ATOM 0 HA THR A 793 -16.088 5.221 3.531 1.00 0.00 H new ATOM 0 HB THR A 793 -17.944 3.872 5.492 1.00 0.00 H new ATOM 0 HG1 THR A 793 -18.125 5.966 6.533 1.00 0.00 H new ATOM 0 HG21 THR A 793 -16.234 4.620 7.114 1.00 0.00 H new ATOM 0 HG22 THR A 793 -15.525 3.619 5.825 1.00 0.00 H new ATOM 0 HG23 THR A 793 -15.323 5.386 5.791 1.00 0.00 H new ATOM 306 N GLU A 794 -16.293 2.994 2.102 1.00 0.00 N ATOM 307 CA GLU A 794 -15.959 1.667 1.613 1.00 0.00 C ATOM 308 C GLU A 794 -14.497 1.605 1.207 1.00 0.00 C ATOM 309 O GLU A 794 -13.896 0.537 1.154 1.00 0.00 O ATOM 310 CB GLU A 794 -16.858 1.288 0.438 1.00 0.00 C ATOM 311 CG GLU A 794 -16.475 1.913 -0.893 1.00 0.00 C ATOM 312 CD GLU A 794 -16.669 0.946 -2.042 1.00 0.00 C ATOM 313 OE1 GLU A 794 -16.549 -0.273 -1.819 1.00 0.00 O ATOM 314 OE2 GLU A 794 -16.944 1.395 -3.176 1.00 0.00 O ATOM 0 H GLU A 794 -16.144 3.743 1.425 1.00 0.00 H new ATOM 0 HA GLU A 794 -16.125 0.950 2.417 1.00 0.00 H new ATOM 0 HB2 GLU A 794 -16.849 0.204 0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 794 -17.882 1.576 0.676 1.00 0.00 H new ATOM 0 HG2 GLU A 794 -17.077 2.805 -1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 794 -15.434 2.233 -0.859 1.00 0.00 H new ATOM 321 N SER A 795 -13.948 2.768 0.914 1.00 0.00 N ATOM 322 CA SER A 795 -12.545 2.908 0.553 1.00 0.00 C ATOM 323 C SER A 795 -11.625 2.222 1.575 1.00 0.00 C ATOM 324 O SER A 795 -10.738 1.464 1.187 1.00 0.00 O ATOM 325 CB SER A 795 -12.201 4.391 0.409 1.00 0.00 C ATOM 326 OG SER A 795 -13.381 5.182 0.453 1.00 0.00 O ATOM 0 H SER A 795 -14.463 3.649 0.919 1.00 0.00 H new ATOM 0 HA SER A 795 -12.381 2.410 -0.402 1.00 0.00 H new ATOM 0 HB2 SER A 795 -11.524 4.693 1.208 1.00 0.00 H new ATOM 0 HB3 SER A 795 -11.678 4.559 -0.532 1.00 0.00 H new ATOM 0 HG SER A 795 -13.144 6.128 0.361 1.00 0.00 H new ATOM 332 N PRO A 796 -11.805 2.469 2.894 1.00 0.00 N ATOM 333 CA PRO A 796 -11.078 1.729 3.920 1.00 0.00 C ATOM 334 C PRO A 796 -11.630 0.315 4.078 1.00 0.00 C ATOM 335 O PRO A 796 -12.840 0.128 4.233 1.00 0.00 O ATOM 336 CB PRO A 796 -11.305 2.535 5.209 1.00 0.00 C ATOM 337 CG PRO A 796 -11.996 3.792 4.791 1.00 0.00 C ATOM 338 CD PRO A 796 -12.687 3.481 3.496 1.00 0.00 C ATOM 0 HA PRO A 796 -10.023 1.619 3.670 1.00 0.00 H new ATOM 0 HB2 PRO A 796 -11.912 1.973 5.919 1.00 0.00 H new ATOM 0 HB3 PRO A 796 -10.359 2.755 5.703 1.00 0.00 H new ATOM 0 HG2 PRO A 796 -12.713 4.112 5.547 1.00 0.00 H new ATOM 0 HG3 PRO A 796 -11.281 4.605 4.665 1.00 0.00 H new ATOM 0 HD2 PRO A 796 -13.694 3.096 3.657 1.00 0.00 H new ATOM 0 HD3 PRO A 796 -12.780 4.364 2.864 1.00 0.00 H new ATOM 346 N LEU A 797 -10.746 -0.674 4.038 1.00 0.00 N ATOM 347 CA LEU A 797 -11.157 -2.069 4.130 1.00 0.00 C ATOM 348 C LEU A 797 -11.547 -2.428 5.560 1.00 0.00 C ATOM 349 O LEU A 797 -10.715 -2.870 6.354 1.00 0.00 O ATOM 350 CB LEU A 797 -10.044 -3.003 3.641 1.00 0.00 C ATOM 351 CG LEU A 797 -8.705 -2.331 3.329 1.00 0.00 C ATOM 352 CD1 LEU A 797 -7.553 -3.171 3.856 1.00 0.00 C ATOM 353 CD2 LEU A 797 -8.555 -2.104 1.831 1.00 0.00 C ATOM 0 H LEU A 797 -9.740 -0.536 3.942 1.00 0.00 H new ATOM 0 HA LEU A 797 -12.028 -2.199 3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 797 -9.878 -3.768 4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 797 -10.392 -3.514 2.743 1.00 0.00 H new ATOM 0 HG LEU A 797 -8.684 -1.362 3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 797 -6.608 -2.678 3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 797 -7.649 -3.284 4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 797 -7.574 -4.154 3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 797 -7.597 -1.625 1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 797 -8.599 -3.061 1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 797 -9.362 -1.463 1.478 1.00 0.00 H new ATOM 365 N GLY A 798 -12.813 -2.221 5.882 1.00 0.00 N ATOM 366 CA GLY A 798 -13.312 -2.544 7.203 1.00 0.00 C ATOM 367 C GLY A 798 -13.843 -3.960 7.270 1.00 0.00 C ATOM 368 O GLY A 798 -13.869 -4.574 8.336 1.00 0.00 O ATOM 0 H GLY A 798 -13.510 -1.832 5.247 1.00 0.00 H new ATOM 0 HA2 GLY A 798 -12.513 -2.420 7.934 1.00 0.00 H new ATOM 0 HA3 GLY A 798 -14.104 -1.845 7.474 1.00 0.00 H new ATOM 372 N GLY A 799 -14.272 -4.473 6.125 1.00 0.00 N ATOM 373 CA GLY A 799 -14.758 -5.835 6.044 1.00 0.00 C ATOM 374 C GLY A 799 -14.283 -6.521 4.781 1.00 0.00 C ATOM 375 O GLY A 799 -14.566 -6.050 3.676 1.00 0.00 O ATOM 0 H GLY A 799 -14.292 -3.963 5.242 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -14.417 -6.396 6.914 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -15.848 -5.836 6.071 1.00 0.00 H new ATOM 379 N ASP A 800 -13.559 -7.627 4.953 1.00 0.00 N ATOM 380 CA ASP A 800 -12.993 -8.392 3.836 1.00 0.00 C ATOM 381 C ASP A 800 -11.906 -7.597 3.118 1.00 0.00 C ATOM 382 O ASP A 800 -12.174 -6.829 2.192 1.00 0.00 O ATOM 383 CB ASP A 800 -14.072 -8.826 2.842 1.00 0.00 C ATOM 384 CG ASP A 800 -13.676 -10.065 2.065 1.00 0.00 C ATOM 385 OD1 ASP A 800 -12.494 -10.185 1.676 1.00 0.00 O ATOM 386 OD2 ASP A 800 -14.553 -10.927 1.836 1.00 0.00 O ATOM 0 H ASP A 800 -13.347 -8.020 5.870 1.00 0.00 H new ATOM 0 HA ASP A 800 -12.545 -9.290 4.261 1.00 0.00 H new ATOM 0 HB2 ASP A 800 -15.001 -9.019 3.379 1.00 0.00 H new ATOM 0 HB3 ASP A 800 -14.270 -8.011 2.145 1.00 0.00 H new ATOM 391 N GLU A 801 -10.675 -7.809 3.552 1.00 0.00 N ATOM 392 CA GLU A 801 -9.524 -7.095 3.021 1.00 0.00 C ATOM 393 C GLU A 801 -9.299 -7.430 1.552 1.00 0.00 C ATOM 394 O GLU A 801 -9.064 -6.542 0.735 1.00 0.00 O ATOM 395 CB GLU A 801 -8.273 -7.448 3.829 1.00 0.00 C ATOM 396 CG GLU A 801 -8.422 -7.218 5.325 1.00 0.00 C ATOM 397 CD GLU A 801 -9.011 -8.412 6.061 1.00 0.00 C ATOM 398 OE1 GLU A 801 -9.518 -9.346 5.400 1.00 0.00 O ATOM 399 OE2 GLU A 801 -8.988 -8.412 7.309 1.00 0.00 O ATOM 0 H GLU A 801 -10.444 -8.482 4.283 1.00 0.00 H new ATOM 0 HA GLU A 801 -9.721 -6.026 3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 801 -8.023 -8.495 3.655 1.00 0.00 H new ATOM 0 HB3 GLU A 801 -7.435 -6.855 3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 801 -7.445 -6.984 5.749 1.00 0.00 H new ATOM 0 HG3 GLU A 801 -9.058 -6.348 5.490 1.00 0.00 H new ATOM 406 N ASN A 802 -9.389 -8.711 1.219 1.00 0.00 N ATOM 407 CA ASN A 802 -9.121 -9.166 -0.142 1.00 0.00 C ATOM 408 C ASN A 802 -10.147 -8.600 -1.118 1.00 0.00 C ATOM 409 O ASN A 802 -9.788 -8.127 -2.201 1.00 0.00 O ATOM 410 CB ASN A 802 -9.111 -10.700 -0.204 1.00 0.00 C ATOM 411 CG ASN A 802 -9.442 -11.240 -1.588 1.00 0.00 C ATOM 412 OD1 ASN A 802 -10.592 -11.568 -1.880 1.00 0.00 O ATOM 413 ND2 ASN A 802 -8.439 -11.345 -2.448 1.00 0.00 N ATOM 0 H ASN A 802 -9.645 -9.453 1.870 1.00 0.00 H new ATOM 0 HA ASN A 802 -8.137 -8.800 -0.434 1.00 0.00 H new ATOM 0 HB2 ASN A 802 -8.129 -11.064 0.097 1.00 0.00 H new ATOM 0 HB3 ASN A 802 -9.830 -11.092 0.515 1.00 0.00 H new ATOM 0 HD21 ASN A 802 -8.608 -11.707 -3.386 1.00 0.00 H new ATOM 0 HD22 ASN A 802 -7.498 -11.063 -2.171 1.00 0.00 H new ATOM 420 N ALA A 803 -11.414 -8.638 -0.728 1.00 0.00 N ATOM 421 CA ALA A 803 -12.477 -8.105 -1.564 1.00 0.00 C ATOM 422 C ALA A 803 -12.269 -6.619 -1.812 1.00 0.00 C ATOM 423 O ALA A 803 -12.270 -6.164 -2.951 1.00 0.00 O ATOM 424 CB ALA A 803 -13.831 -8.347 -0.926 1.00 0.00 C ATOM 0 H ALA A 803 -11.728 -9.031 0.159 1.00 0.00 H new ATOM 0 HA ALA A 803 -12.448 -8.624 -2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 803 -14.613 -7.941 -1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 803 -13.987 -9.418 -0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 803 -13.868 -7.856 0.047 1.00 0.00 H new ATOM 430 N GLN A 804 -12.065 -5.873 -0.740 1.00 0.00 N ATOM 431 CA GLN A 804 -11.868 -4.435 -0.837 1.00 0.00 C ATOM 432 C GLN A 804 -10.638 -4.099 -1.677 1.00 0.00 C ATOM 433 O GLN A 804 -10.694 -3.242 -2.561 1.00 0.00 O ATOM 434 CB GLN A 804 -11.734 -3.835 0.564 1.00 0.00 C ATOM 435 CG GLN A 804 -12.610 -2.612 0.803 1.00 0.00 C ATOM 436 CD GLN A 804 -13.993 -2.735 0.186 1.00 0.00 C ATOM 437 OE1 GLN A 804 -14.583 -3.815 0.143 1.00 0.00 O ATOM 438 NE2 GLN A 804 -14.529 -1.620 -0.279 1.00 0.00 N ATOM 0 H GLN A 804 -12.031 -6.240 0.211 1.00 0.00 H new ATOM 0 HA GLN A 804 -12.737 -4.003 -1.333 1.00 0.00 H new ATOM 0 HB2 GLN A 804 -11.986 -4.598 1.300 1.00 0.00 H new ATOM 0 HB3 GLN A 804 -10.692 -3.561 0.732 1.00 0.00 H new ATOM 0 HG2 GLN A 804 -12.711 -2.450 1.876 1.00 0.00 H new ATOM 0 HG3 GLN A 804 -12.114 -1.732 0.393 1.00 0.00 H new ATOM 0 HE21 GLN A 804 -14.010 -0.744 -0.226 1.00 0.00 H new ATOM 0 HE22 GLN A 804 -15.462 -1.636 -0.691 1.00 0.00 H new ATOM 447 N LEU A 805 -9.540 -4.800 -1.417 1.00 0.00 N ATOM 448 CA LEU A 805 -8.268 -4.506 -2.066 1.00 0.00 C ATOM 449 C LEU A 805 -8.304 -4.810 -3.567 1.00 0.00 C ATOM 450 O LEU A 805 -7.752 -4.058 -4.371 1.00 0.00 O ATOM 451 CB LEU A 805 -7.129 -5.276 -1.377 1.00 0.00 C ATOM 452 CG LEU A 805 -6.373 -6.277 -2.241 1.00 0.00 C ATOM 453 CD1 LEU A 805 -5.027 -5.706 -2.664 1.00 0.00 C ATOM 454 CD2 LEU A 805 -6.189 -7.594 -1.503 1.00 0.00 C ATOM 0 H LEU A 805 -9.506 -5.579 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 805 -8.084 -3.437 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 805 -6.414 -4.552 -0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 805 -7.544 -5.808 -0.521 1.00 0.00 H new ATOM 0 HG LEU A 805 -6.962 -6.470 -3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 805 -4.500 -6.434 -3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 805 -5.183 -4.792 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 805 -4.432 -5.483 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 805 -5.647 -8.294 -2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 805 -5.623 -7.422 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 805 -7.165 -8.011 -1.254 1.00 0.00 H new ATOM 466 N HIS A 806 -8.951 -5.902 -3.956 1.00 0.00 N ATOM 467 CA HIS A 806 -8.992 -6.269 -5.366 1.00 0.00 C ATOM 468 C HIS A 806 -10.077 -5.487 -6.109 1.00 0.00 C ATOM 469 O HIS A 806 -9.989 -5.288 -7.316 1.00 0.00 O ATOM 470 CB HIS A 806 -9.145 -7.795 -5.546 1.00 0.00 C ATOM 471 CG HIS A 806 -10.545 -8.277 -5.759 1.00 0.00 C ATOM 472 ND1 HIS A 806 -11.636 -8.137 -4.989 1.00 0.00 N flip ATOM 473 CD2 HIS A 806 -10.945 -8.986 -6.868 1.00 0.00 C flip ATOM 474 CE1 HIS A 806 -12.674 -8.759 -5.631 1.00 0.00 C flip ATOM 475 NE2 HIS A 806 -12.231 -9.265 -6.767 1.00 0.00 N flip ATOM 0 H HIS A 806 -9.445 -6.537 -3.330 1.00 0.00 H new ATOM 0 HA HIS A 806 -8.037 -5.993 -5.813 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -8.538 -8.107 -6.396 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -8.738 -8.291 -4.665 1.00 0.00 H new ATOM 0 HD1 HIS A 806 -11.683 -7.656 -4.091 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -10.307 -9.270 -7.692 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -13.689 -8.825 -5.267 1.00 0.00 H new ATOM 484 N ALA A 807 -11.083 -5.021 -5.378 1.00 0.00 N ATOM 485 CA ALA A 807 -12.174 -4.270 -5.988 1.00 0.00 C ATOM 486 C ALA A 807 -11.737 -2.850 -6.322 1.00 0.00 C ATOM 487 O ALA A 807 -12.131 -2.298 -7.347 1.00 0.00 O ATOM 488 CB ALA A 807 -13.389 -4.247 -5.076 1.00 0.00 C ATOM 0 H ALA A 807 -11.166 -5.149 -4.369 1.00 0.00 H new ATOM 0 HA ALA A 807 -12.447 -4.772 -6.916 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -14.190 -3.681 -5.552 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -13.725 -5.267 -4.892 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -13.125 -3.776 -4.129 1.00 0.00 H new ATOM 494 N SER A 808 -10.918 -2.264 -5.452 1.00 0.00 N ATOM 495 CA SER A 808 -10.413 -0.913 -5.672 1.00 0.00 C ATOM 496 C SER A 808 -9.449 -0.881 -6.853 1.00 0.00 C ATOM 497 O SER A 808 -9.262 0.157 -7.492 1.00 0.00 O ATOM 498 CB SER A 808 -9.715 -0.403 -4.411 1.00 0.00 C ATOM 499 OG SER A 808 -9.088 -1.467 -3.718 1.00 0.00 O ATOM 0 H SER A 808 -10.591 -2.703 -4.591 1.00 0.00 H new ATOM 0 HA SER A 808 -11.258 -0.263 -5.901 1.00 0.00 H new ATOM 0 HB2 SER A 808 -8.973 0.349 -4.679 1.00 0.00 H new ATOM 0 HB3 SER A 808 -10.441 0.083 -3.760 1.00 0.00 H new ATOM 0 HG SER A 808 -9.705 -1.830 -3.049 1.00 0.00 H new ATOM 505 N GLY A 809 -8.849 -2.028 -7.139 1.00 0.00 N ATOM 506 CA GLY A 809 -7.904 -2.123 -8.232 1.00 0.00 C ATOM 507 C GLY A 809 -6.471 -2.052 -7.755 1.00 0.00 C ATOM 508 O GLY A 809 -5.554 -1.810 -8.542 1.00 0.00 O ATOM 0 H GLY A 809 -9.001 -2.899 -6.630 1.00 0.00 H new ATOM 0 HA2 GLY A 809 -8.062 -3.060 -8.766 1.00 0.00 H new ATOM 0 HA3 GLY A 809 -8.089 -1.317 -8.942 1.00 0.00 H new ATOM 512 N TYR A 810 -6.269 -2.264 -6.463 1.00 0.00 N ATOM 513 CA TYR A 810 -4.932 -2.216 -5.891 1.00 0.00 C ATOM 514 C TYR A 810 -4.331 -3.612 -5.797 1.00 0.00 C ATOM 515 O TYR A 810 -3.224 -3.792 -5.285 1.00 0.00 O ATOM 516 CB TYR A 810 -4.960 -1.553 -4.517 1.00 0.00 C ATOM 517 CG TYR A 810 -4.846 -0.046 -4.578 1.00 0.00 C ATOM 518 CD1 TYR A 810 -4.265 0.580 -5.675 1.00 0.00 C ATOM 519 CD2 TYR A 810 -5.321 0.752 -3.545 1.00 0.00 C ATOM 520 CE1 TYR A 810 -4.160 1.955 -5.740 1.00 0.00 C ATOM 521 CE2 TYR A 810 -5.218 2.129 -3.604 1.00 0.00 C ATOM 522 CZ TYR A 810 -4.637 2.725 -4.704 1.00 0.00 C ATOM 523 OH TYR A 810 -4.535 4.095 -4.769 1.00 0.00 O ATOM 0 H TYR A 810 -7.010 -2.470 -5.793 1.00 0.00 H new ATOM 0 HA TYR A 810 -4.303 -1.619 -6.551 1.00 0.00 H new ATOM 0 HB2 TYR A 810 -5.888 -1.820 -4.011 1.00 0.00 H new ATOM 0 HB3 TYR A 810 -4.143 -1.948 -3.914 1.00 0.00 H new ATOM 0 HD1 TYR A 810 -3.889 -0.020 -6.491 1.00 0.00 H new ATOM 0 HD2 TYR A 810 -5.778 0.289 -2.683 1.00 0.00 H new ATOM 0 HE1 TYR A 810 -3.706 2.424 -6.600 1.00 0.00 H new ATOM 0 HE2 TYR A 810 -5.591 2.736 -2.792 1.00 0.00 H new ATOM 0 HH TYR A 810 -5.119 4.499 -4.094 1.00 0.00 H new ATOM 533 N TYR A 811 -5.066 -4.594 -6.303 1.00 0.00 N ATOM 534 CA TYR A 811 -4.589 -5.970 -6.342 1.00 0.00 C ATOM 535 C TYR A 811 -3.330 -6.052 -7.190 1.00 0.00 C ATOM 536 O TYR A 811 -2.361 -6.712 -6.820 1.00 0.00 O ATOM 537 CB TYR A 811 -5.664 -6.892 -6.922 1.00 0.00 C ATOM 538 CG TYR A 811 -5.631 -8.299 -6.367 1.00 0.00 C ATOM 539 CD1 TYR A 811 -5.742 -8.529 -5.003 1.00 0.00 C ATOM 540 CD2 TYR A 811 -5.504 -9.396 -7.210 1.00 0.00 C ATOM 541 CE1 TYR A 811 -5.724 -9.811 -4.493 1.00 0.00 C ATOM 542 CE2 TYR A 811 -5.489 -10.682 -6.707 1.00 0.00 C ATOM 543 CZ TYR A 811 -5.600 -10.882 -5.349 1.00 0.00 C ATOM 544 OH TYR A 811 -5.594 -12.159 -4.844 1.00 0.00 O ATOM 0 H TYR A 811 -5.999 -4.462 -6.694 1.00 0.00 H new ATOM 0 HA TYR A 811 -4.364 -6.292 -5.325 1.00 0.00 H new ATOM 0 HB2 TYR A 811 -6.645 -6.458 -6.727 1.00 0.00 H new ATOM 0 HB3 TYR A 811 -5.545 -6.936 -8.005 1.00 0.00 H new ATOM 0 HD1 TYR A 811 -5.844 -7.691 -4.330 1.00 0.00 H new ATOM 0 HD2 TYR A 811 -5.416 -9.241 -8.275 1.00 0.00 H new ATOM 0 HE1 TYR A 811 -5.807 -9.973 -3.428 1.00 0.00 H new ATOM 0 HE2 TYR A 811 -5.391 -11.525 -7.374 1.00 0.00 H new ATOM 0 HH TYR A 811 -4.858 -12.666 -5.246 1.00 0.00 H new ATOM 554 N ALA A 812 -3.355 -5.348 -8.318 1.00 0.00 N ATOM 555 CA ALA A 812 -2.221 -5.304 -9.230 1.00 0.00 C ATOM 556 C ALA A 812 -0.983 -4.753 -8.535 1.00 0.00 C ATOM 557 O ALA A 812 0.110 -5.288 -8.685 1.00 0.00 O ATOM 558 CB ALA A 812 -2.561 -4.461 -10.448 1.00 0.00 C ATOM 0 H ALA A 812 -4.157 -4.796 -8.622 1.00 0.00 H new ATOM 0 HA ALA A 812 -2.003 -6.322 -9.553 1.00 0.00 H new ATOM 0 HB1 ALA A 812 -1.706 -4.435 -11.123 1.00 0.00 H new ATOM 0 HB2 ALA A 812 -3.417 -4.896 -10.964 1.00 0.00 H new ATOM 0 HB3 ALA A 812 -2.804 -3.447 -10.132 1.00 0.00 H new ATOM 564 N LEU A 813 -1.164 -3.693 -7.757 1.00 0.00 N ATOM 565 CA LEU A 813 -0.052 -3.072 -7.047 1.00 0.00 C ATOM 566 C LEU A 813 0.486 -4.014 -5.977 1.00 0.00 C ATOM 567 O LEU A 813 1.697 -4.178 -5.822 1.00 0.00 O ATOM 568 CB LEU A 813 -0.497 -1.755 -6.408 1.00 0.00 C ATOM 569 CG LEU A 813 0.471 -0.582 -6.590 1.00 0.00 C ATOM 570 CD1 LEU A 813 -0.292 0.733 -6.652 1.00 0.00 C ATOM 571 CD2 LEU A 813 1.491 -0.554 -5.462 1.00 0.00 C ATOM 0 H LEU A 813 -2.068 -3.246 -7.602 1.00 0.00 H new ATOM 0 HA LEU A 813 0.742 -2.864 -7.764 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -1.464 -1.475 -6.826 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -0.647 -1.920 -5.341 1.00 0.00 H new ATOM 0 HG LEU A 813 1.003 -0.716 -7.532 1.00 0.00 H new ATOM 0 HD11 LEU A 813 0.411 1.556 -6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -0.985 0.712 -7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -0.849 0.874 -5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 813 2.171 0.286 -5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 813 0.976 -0.443 -4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 813 2.059 -1.485 -5.462 1.00 0.00 H new ATOM 583 N PHE A 814 -0.432 -4.649 -5.261 1.00 0.00 N ATOM 584 CA PHE A 814 -0.085 -5.547 -4.170 1.00 0.00 C ATOM 585 C PHE A 814 0.737 -6.740 -4.670 1.00 0.00 C ATOM 586 O PHE A 814 1.744 -7.102 -4.061 1.00 0.00 O ATOM 587 CB PHE A 814 -1.371 -5.999 -3.457 1.00 0.00 C ATOM 588 CG PHE A 814 -1.339 -7.389 -2.879 1.00 0.00 C ATOM 589 CD1 PHE A 814 -0.578 -7.677 -1.758 1.00 0.00 C ATOM 590 CD2 PHE A 814 -2.085 -8.404 -3.456 1.00 0.00 C ATOM 591 CE1 PHE A 814 -0.562 -8.951 -1.225 1.00 0.00 C ATOM 592 CE2 PHE A 814 -2.073 -9.679 -2.926 1.00 0.00 C ATOM 593 CZ PHE A 814 -1.310 -9.953 -1.810 1.00 0.00 C ATOM 0 H PHE A 814 -1.435 -4.556 -5.420 1.00 0.00 H new ATOM 0 HA PHE A 814 0.543 -5.016 -3.455 1.00 0.00 H new ATOM 0 HB2 PHE A 814 -1.586 -5.295 -2.653 1.00 0.00 H new ATOM 0 HB3 PHE A 814 -2.198 -5.938 -4.164 1.00 0.00 H new ATOM 0 HD1 PHE A 814 0.009 -6.897 -1.296 1.00 0.00 H new ATOM 0 HD2 PHE A 814 -2.683 -8.195 -4.331 1.00 0.00 H new ATOM 0 HE1 PHE A 814 0.036 -9.163 -0.351 1.00 0.00 H new ATOM 0 HE2 PHE A 814 -2.660 -10.461 -3.385 1.00 0.00 H new ATOM 0 HZ PHE A 814 -1.298 -10.950 -1.395 1.00 0.00 H new ATOM 603 N VAL A 815 0.335 -7.327 -5.789 1.00 0.00 N ATOM 604 CA VAL A 815 1.030 -8.498 -6.313 1.00 0.00 C ATOM 605 C VAL A 815 2.301 -8.109 -7.074 1.00 0.00 C ATOM 606 O VAL A 815 3.219 -8.917 -7.221 1.00 0.00 O ATOM 607 CB VAL A 815 0.124 -9.347 -7.241 1.00 0.00 C ATOM 608 CG1 VAL A 815 -1.131 -9.801 -6.511 1.00 0.00 C ATOM 609 CG2 VAL A 815 -0.247 -8.580 -8.505 1.00 0.00 C ATOM 0 H VAL A 815 -0.460 -7.017 -6.348 1.00 0.00 H new ATOM 0 HA VAL A 815 1.302 -9.098 -5.445 1.00 0.00 H new ATOM 0 HB VAL A 815 0.692 -10.230 -7.534 1.00 0.00 H new ATOM 0 HG11 VAL A 815 -1.749 -10.395 -7.185 1.00 0.00 H new ATOM 0 HG12 VAL A 815 -0.851 -10.405 -5.648 1.00 0.00 H new ATOM 0 HG13 VAL A 815 -1.693 -8.929 -6.177 1.00 0.00 H new ATOM 0 HG21 VAL A 815 -0.883 -9.202 -9.135 1.00 0.00 H new ATOM 0 HG22 VAL A 815 -0.783 -7.670 -8.234 1.00 0.00 H new ATOM 0 HG23 VAL A 815 0.659 -8.318 -9.051 1.00 0.00 H new ATOM 619 N ASP A 816 2.354 -6.871 -7.550 1.00 0.00 N ATOM 620 CA ASP A 816 3.477 -6.408 -8.363 1.00 0.00 C ATOM 621 C ASP A 816 4.628 -5.925 -7.502 1.00 0.00 C ATOM 622 O ASP A 816 5.793 -6.242 -7.754 1.00 0.00 O ATOM 623 CB ASP A 816 3.037 -5.263 -9.275 1.00 0.00 C ATOM 624 CG ASP A 816 3.666 -5.331 -10.651 1.00 0.00 C ATOM 625 OD1 ASP A 816 4.036 -6.442 -11.088 1.00 0.00 O ATOM 626 OD2 ASP A 816 3.790 -4.272 -11.302 1.00 0.00 O ATOM 0 H ASP A 816 1.633 -6.168 -7.388 1.00 0.00 H new ATOM 0 HA ASP A 816 3.813 -7.257 -8.959 1.00 0.00 H new ATOM 0 HB2 ASP A 816 1.952 -5.282 -9.376 1.00 0.00 H new ATOM 0 HB3 ASP A 816 3.297 -4.313 -8.808 1.00 0.00 H new ATOM 631 N THR A 817 4.291 -5.150 -6.489 1.00 0.00 N ATOM 632 CA THR A 817 5.281 -4.467 -5.683 1.00 0.00 C ATOM 633 C THR A 817 5.775 -5.315 -4.511 1.00 0.00 C ATOM 634 O THR A 817 6.973 -5.582 -4.395 1.00 0.00 O ATOM 635 CB THR A 817 4.703 -3.143 -5.153 1.00 0.00 C ATOM 636 OG1 THR A 817 4.454 -2.252 -6.249 1.00 0.00 O ATOM 637 CG2 THR A 817 5.644 -2.489 -4.156 1.00 0.00 C ATOM 0 H THR A 817 3.327 -4.977 -6.203 1.00 0.00 H new ATOM 0 HA THR A 817 6.138 -4.274 -6.328 1.00 0.00 H new ATOM 0 HB THR A 817 3.767 -3.361 -4.638 1.00 0.00 H new ATOM 0 HG1 THR A 817 4.238 -1.361 -5.903 1.00 0.00 H new ATOM 0 HG21 THR A 817 5.206 -1.556 -3.801 1.00 0.00 H new ATOM 0 HG22 THR A 817 5.803 -3.160 -3.312 1.00 0.00 H new ATOM 0 HG23 THR A 817 6.599 -2.281 -4.639 1.00 0.00 H new ATOM 645 N VAL A 818 4.849 -5.759 -3.664 1.00 0.00 N ATOM 646 CA VAL A 818 5.210 -6.332 -2.369 1.00 0.00 C ATOM 647 C VAL A 818 6.167 -7.527 -2.479 1.00 0.00 C ATOM 648 O VAL A 818 7.248 -7.484 -1.896 1.00 0.00 O ATOM 649 CB VAL A 818 3.970 -6.732 -1.547 1.00 0.00 C ATOM 650 CG1 VAL A 818 4.383 -7.147 -0.145 1.00 0.00 C ATOM 651 CG2 VAL A 818 2.968 -5.588 -1.494 1.00 0.00 C ATOM 0 H VAL A 818 3.846 -5.733 -3.850 1.00 0.00 H new ATOM 0 HA VAL A 818 5.738 -5.535 -1.846 1.00 0.00 H new ATOM 0 HB VAL A 818 3.489 -7.580 -2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 818 3.498 -7.428 0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 818 5.063 -7.997 -0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 818 4.885 -6.314 0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 818 2.100 -5.891 -0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 818 3.433 -4.718 -1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 818 2.652 -5.334 -2.506 1.00 0.00 H new ATOM 661 N PRO A 819 5.813 -8.603 -3.217 1.00 0.00 N ATOM 662 CA PRO A 819 6.653 -9.812 -3.296 1.00 0.00 C ATOM 663 C PRO A 819 8.072 -9.531 -3.791 1.00 0.00 C ATOM 664 O PRO A 819 9.023 -10.192 -3.374 1.00 0.00 O ATOM 665 CB PRO A 819 5.908 -10.713 -4.284 1.00 0.00 C ATOM 666 CG PRO A 819 4.502 -10.230 -4.252 1.00 0.00 C ATOM 667 CD PRO A 819 4.583 -8.750 -4.016 1.00 0.00 C ATOM 0 HA PRO A 819 6.791 -10.259 -2.311 1.00 0.00 H new ATOM 0 HB2 PRO A 819 6.330 -10.636 -5.286 1.00 0.00 H new ATOM 0 HB3 PRO A 819 5.973 -11.761 -3.991 1.00 0.00 H new ATOM 0 HG2 PRO A 819 3.992 -10.449 -5.190 1.00 0.00 H new ATOM 0 HG3 PRO A 819 3.938 -10.722 -3.460 1.00 0.00 H new ATOM 0 HD2 PRO A 819 4.643 -8.196 -4.953 1.00 0.00 H new ATOM 0 HD3 PRO A 819 3.709 -8.379 -3.481 1.00 0.00 H new ATOM 675 N ASP A 820 8.224 -8.544 -4.662 1.00 0.00 N ATOM 676 CA ASP A 820 9.547 -8.182 -5.150 1.00 0.00 C ATOM 677 C ASP A 820 10.307 -7.425 -4.072 1.00 0.00 C ATOM 678 O ASP A 820 11.501 -7.644 -3.863 1.00 0.00 O ATOM 679 CB ASP A 820 9.451 -7.337 -6.420 1.00 0.00 C ATOM 680 CG ASP A 820 10.791 -6.752 -6.824 1.00 0.00 C ATOM 681 OD1 ASP A 820 11.727 -7.529 -7.125 1.00 0.00 O ATOM 682 OD2 ASP A 820 10.914 -5.511 -6.853 1.00 0.00 O ATOM 0 H ASP A 820 7.459 -7.986 -5.041 1.00 0.00 H new ATOM 0 HA ASP A 820 10.086 -9.098 -5.393 1.00 0.00 H new ATOM 0 HB2 ASP A 820 9.065 -7.951 -7.234 1.00 0.00 H new ATOM 0 HB3 ASP A 820 8.737 -6.529 -6.263 1.00 0.00 H new ATOM 687 N ASP A 821 9.597 -6.558 -3.364 1.00 0.00 N ATOM 688 CA ASP A 821 10.201 -5.756 -2.310 1.00 0.00 C ATOM 689 C ASP A 821 10.598 -6.630 -1.121 1.00 0.00 C ATOM 690 O ASP A 821 11.646 -6.416 -0.513 1.00 0.00 O ATOM 691 CB ASP A 821 9.247 -4.640 -1.870 1.00 0.00 C ATOM 692 CG ASP A 821 9.446 -3.368 -2.676 1.00 0.00 C ATOM 693 OD1 ASP A 821 9.158 -3.379 -3.893 1.00 0.00 O ATOM 694 OD2 ASP A 821 9.925 -2.360 -2.114 1.00 0.00 O ATOM 0 H ASP A 821 8.600 -6.392 -3.501 1.00 0.00 H new ATOM 0 HA ASP A 821 11.106 -5.296 -2.707 1.00 0.00 H new ATOM 0 HB2 ASP A 821 8.217 -4.980 -1.979 1.00 0.00 H new ATOM 0 HB3 ASP A 821 9.402 -4.427 -0.812 1.00 0.00 H new ATOM 699 N VAL A 822 9.773 -7.629 -0.799 1.00 0.00 N ATOM 700 CA VAL A 822 10.097 -8.553 0.280 1.00 0.00 C ATOM 701 C VAL A 822 11.238 -9.477 -0.135 1.00 0.00 C ATOM 702 O VAL A 822 12.052 -9.877 0.697 1.00 0.00 O ATOM 703 CB VAL A 822 8.881 -9.390 0.740 1.00 0.00 C ATOM 704 CG1 VAL A 822 7.923 -8.538 1.553 1.00 0.00 C ATOM 705 CG2 VAL A 822 8.166 -10.027 -0.429 1.00 0.00 C ATOM 0 H VAL A 822 8.886 -7.814 -1.267 1.00 0.00 H new ATOM 0 HA VAL A 822 10.407 -7.944 1.129 1.00 0.00 H new ATOM 0 HB VAL A 822 9.256 -10.194 1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 822 7.074 -9.145 1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 822 8.437 -8.150 2.432 1.00 0.00 H new ATOM 0 HG13 VAL A 822 7.569 -7.706 0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 822 7.318 -10.607 -0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 822 7.811 -9.250 -1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 822 8.853 -10.685 -0.961 1.00 0.00 H new ATOM 715 N LYS A 823 11.307 -9.800 -1.426 1.00 0.00 N ATOM 716 CA LYS A 823 12.425 -10.563 -1.966 1.00 0.00 C ATOM 717 C LYS A 823 13.721 -9.775 -1.791 1.00 0.00 C ATOM 718 O LYS A 823 14.745 -10.319 -1.372 1.00 0.00 O ATOM 719 CB LYS A 823 12.179 -10.868 -3.445 1.00 0.00 C ATOM 720 CG LYS A 823 13.348 -11.532 -4.147 1.00 0.00 C ATOM 721 CD LYS A 823 13.783 -10.746 -5.374 1.00 0.00 C ATOM 722 CE LYS A 823 12.803 -10.913 -6.523 1.00 0.00 C ATOM 723 NZ LYS A 823 12.984 -9.865 -7.562 1.00 0.00 N ATOM 0 H LYS A 823 10.600 -9.544 -2.115 1.00 0.00 H new ATOM 0 HA LYS A 823 12.514 -11.506 -1.426 1.00 0.00 H new ATOM 0 HB2 LYS A 823 11.305 -11.513 -3.531 1.00 0.00 H new ATOM 0 HB3 LYS A 823 11.941 -9.938 -3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 823 14.186 -11.621 -3.455 1.00 0.00 H new ATOM 0 HG3 LYS A 823 13.069 -12.544 -4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 823 13.868 -9.690 -5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 823 14.772 -11.079 -5.688 1.00 0.00 H new ATOM 0 HE2 LYS A 823 12.935 -11.897 -6.973 1.00 0.00 H new ATOM 0 HE3 LYS A 823 11.783 -10.872 -6.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 12.381 -10.081 -8.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 12.718 -8.939 -7.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 13.980 -9.841 -7.862 1.00 0.00 H new ATOM 737 N ARG A 824 13.660 -8.489 -2.111 1.00 0.00 N ATOM 738 CA ARG A 824 14.785 -7.583 -1.906 1.00 0.00 C ATOM 739 C ARG A 824 15.153 -7.525 -0.428 1.00 0.00 C ATOM 740 O ARG A 824 16.323 -7.612 -0.069 1.00 0.00 O ATOM 741 CB ARG A 824 14.418 -6.184 -2.403 1.00 0.00 C ATOM 742 CG ARG A 824 15.574 -5.414 -3.020 1.00 0.00 C ATOM 743 CD ARG A 824 15.104 -4.087 -3.606 1.00 0.00 C ATOM 744 NE ARG A 824 13.873 -4.236 -4.388 1.00 0.00 N ATOM 745 CZ ARG A 824 12.684 -3.745 -4.030 1.00 0.00 C ATOM 746 NH1 ARG A 824 12.566 -3.005 -2.931 1.00 0.00 N ATOM 747 NH2 ARG A 824 11.616 -3.980 -4.779 1.00 0.00 N ATOM 0 H ARG A 824 12.836 -8.046 -2.517 1.00 0.00 H new ATOM 0 HA ARG A 824 15.643 -7.953 -2.468 1.00 0.00 H new ATOM 0 HB2 ARG A 824 13.621 -6.271 -3.141 1.00 0.00 H new ATOM 0 HB3 ARG A 824 14.018 -5.608 -1.568 1.00 0.00 H new ATOM 0 HG2 ARG A 824 16.337 -5.230 -2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 824 16.039 -6.015 -3.802 1.00 0.00 H new ATOM 0 HD2 ARG A 824 14.936 -3.374 -2.799 1.00 0.00 H new ATOM 0 HD3 ARG A 824 15.888 -3.673 -4.240 1.00 0.00 H new ATOM 0 HE ARG A 824 13.929 -4.751 -5.267 1.00 0.00 H new ATOM 0 HH11 ARG A 824 13.386 -2.810 -2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 824 11.655 -2.632 -2.662 1.00 0.00 H new ATOM 0 HH21 ARG A 824 11.702 -4.536 -5.630 1.00 0.00 H new ATOM 0 HH22 ARG A 824 10.708 -3.605 -4.505 1.00 0.00 H new ATOM 761 N LEU A 825 14.133 -7.390 0.418 1.00 0.00 N ATOM 762 CA LEU A 825 14.320 -7.364 1.865 1.00 0.00 C ATOM 763 C LEU A 825 15.062 -8.610 2.336 1.00 0.00 C ATOM 764 O LEU A 825 16.013 -8.517 3.100 1.00 0.00 O ATOM 765 CB LEU A 825 12.966 -7.266 2.577 1.00 0.00 C ATOM 766 CG LEU A 825 12.575 -5.865 3.048 1.00 0.00 C ATOM 767 CD1 LEU A 825 11.082 -5.792 3.316 1.00 0.00 C ATOM 768 CD2 LEU A 825 13.358 -5.482 4.295 1.00 0.00 C ATOM 0 H LEU A 825 13.162 -7.296 0.121 1.00 0.00 H new ATOM 0 HA LEU A 825 14.917 -6.487 2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 825 12.192 -7.634 1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 825 12.979 -7.931 3.440 1.00 0.00 H new ATOM 0 HG LEU A 825 12.820 -5.156 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 825 10.821 -4.788 3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 825 10.536 -6.023 2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 825 10.815 -6.513 4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 825 13.066 -4.482 4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 825 13.145 -6.195 5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 825 14.425 -5.495 4.073 1.00 0.00 H new ATOM 780 N TYR A 826 14.620 -9.770 1.864 1.00 0.00 N ATOM 781 CA TYR A 826 15.262 -11.044 2.190 1.00 0.00 C ATOM 782 C TYR A 826 16.724 -11.049 1.754 1.00 0.00 C ATOM 783 O TYR A 826 17.620 -11.422 2.517 1.00 0.00 O ATOM 784 CB TYR A 826 14.529 -12.188 1.488 1.00 0.00 C ATOM 785 CG TYR A 826 13.565 -12.944 2.372 1.00 0.00 C ATOM 786 CD1 TYR A 826 13.963 -13.451 3.602 1.00 0.00 C ATOM 787 CD2 TYR A 826 12.259 -13.168 1.962 1.00 0.00 C ATOM 788 CE1 TYR A 826 13.080 -14.155 4.401 1.00 0.00 C ATOM 789 CE2 TYR A 826 11.372 -13.873 2.752 1.00 0.00 C ATOM 790 CZ TYR A 826 11.788 -14.365 3.970 1.00 0.00 C ATOM 791 OH TYR A 826 10.909 -15.077 4.754 1.00 0.00 O ATOM 0 H TYR A 826 13.812 -9.857 1.248 1.00 0.00 H new ATOM 0 HA TYR A 826 15.217 -11.177 3.271 1.00 0.00 H new ATOM 0 HB2 TYR A 826 13.982 -11.785 0.636 1.00 0.00 H new ATOM 0 HB3 TYR A 826 15.266 -12.887 1.092 1.00 0.00 H new ATOM 0 HD1 TYR A 826 14.977 -13.293 3.940 1.00 0.00 H new ATOM 0 HD2 TYR A 826 11.930 -12.784 1.008 1.00 0.00 H new ATOM 0 HE1 TYR A 826 13.402 -14.538 5.358 1.00 0.00 H new ATOM 0 HE2 TYR A 826 10.359 -14.038 2.417 1.00 0.00 H new ATOM 0 HH TYR A 826 11.040 -14.835 5.695 1.00 0.00 H new ATOM 801 N THR A 827 16.949 -10.605 0.526 1.00 0.00 N ATOM 802 CA THR A 827 18.259 -10.654 -0.093 1.00 0.00 C ATOM 803 C THR A 827 19.231 -9.739 0.643 1.00 0.00 C ATOM 804 O THR A 827 20.358 -10.123 0.957 1.00 0.00 O ATOM 805 CB THR A 827 18.157 -10.228 -1.572 1.00 0.00 C ATOM 806 OG1 THR A 827 17.224 -11.075 -2.263 1.00 0.00 O ATOM 807 CG2 THR A 827 19.506 -10.288 -2.267 1.00 0.00 C ATOM 0 H THR A 827 16.225 -10.200 -0.068 1.00 0.00 H new ATOM 0 HA THR A 827 18.632 -11.677 -0.038 1.00 0.00 H new ATOM 0 HB THR A 827 17.809 -9.195 -1.595 1.00 0.00 H new ATOM 0 HG1 THR A 827 16.311 -10.761 -2.096 1.00 0.00 H new ATOM 0 HG21 THR A 827 19.394 -9.981 -3.307 1.00 0.00 H new ATOM 0 HG22 THR A 827 20.204 -9.619 -1.764 1.00 0.00 H new ATOM 0 HG23 THR A 827 19.890 -11.308 -2.229 1.00 0.00 H new ATOM 815 N GLU A 828 18.765 -8.540 0.944 1.00 0.00 N ATOM 816 CA GLU A 828 19.577 -7.545 1.608 1.00 0.00 C ATOM 817 C GLU A 828 19.696 -7.830 3.104 1.00 0.00 C ATOM 818 O GLU A 828 20.643 -7.388 3.755 1.00 0.00 O ATOM 819 CB GLU A 828 19.003 -6.160 1.349 1.00 0.00 C ATOM 820 CG GLU A 828 19.980 -5.244 0.641 1.00 0.00 C ATOM 821 CD GLU A 828 20.326 -5.677 -0.778 1.00 0.00 C ATOM 822 OE1 GLU A 828 19.916 -6.777 -1.208 1.00 0.00 O ATOM 823 OE2 GLU A 828 21.038 -4.915 -1.469 1.00 0.00 O ATOM 0 H GLU A 828 17.815 -8.233 0.734 1.00 0.00 H new ATOM 0 HA GLU A 828 20.586 -7.587 1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 828 18.098 -6.253 0.748 1.00 0.00 H new ATOM 0 HB3 GLU A 828 18.711 -5.709 2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 828 19.561 -4.238 0.610 1.00 0.00 H new ATOM 0 HG3 GLU A 828 20.898 -5.189 1.226 1.00 0.00 H new ATOM 830 N ALA A 829 18.724 -8.552 3.653 1.00 0.00 N ATOM 831 CA ALA A 829 18.804 -9.002 5.040 1.00 0.00 C ATOM 832 C ALA A 829 19.959 -9.974 5.202 1.00 0.00 C ATOM 833 O ALA A 829 20.674 -9.946 6.205 1.00 0.00 O ATOM 834 CB ALA A 829 17.501 -9.652 5.485 1.00 0.00 C ATOM 0 H ALA A 829 17.876 -8.837 3.163 1.00 0.00 H new ATOM 0 HA ALA A 829 18.976 -8.131 5.672 1.00 0.00 H new ATOM 0 HB1 ALA A 829 17.592 -9.977 6.522 1.00 0.00 H new ATOM 0 HB2 ALA A 829 16.687 -8.932 5.400 1.00 0.00 H new ATOM 0 HB3 ALA A 829 17.290 -10.514 4.852 1.00 0.00 H new ATOM 840 N ALA A 830 20.145 -10.824 4.196 1.00 0.00 N ATOM 841 CA ALA A 830 21.252 -11.770 4.182 1.00 0.00 C ATOM 842 C ALA A 830 22.594 -11.040 4.207 1.00 0.00 C ATOM 843 O ALA A 830 23.519 -11.442 4.911 1.00 0.00 O ATOM 844 CB ALA A 830 21.157 -12.671 2.961 1.00 0.00 C ATOM 0 H ALA A 830 19.539 -10.875 3.377 1.00 0.00 H new ATOM 0 HA ALA A 830 21.188 -12.387 5.078 1.00 0.00 H new ATOM 0 HB1 ALA A 830 21.990 -13.374 2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 830 20.217 -13.222 2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 830 21.196 -12.064 2.057 1.00 0.00 H new ATOM 850 N THR A 831 22.684 -9.952 3.450 1.00 0.00 N ATOM 851 CA THR A 831 23.900 -9.148 3.396 1.00 0.00 C ATOM 852 C THR A 831 24.010 -8.237 4.617 1.00 0.00 C ATOM 853 O THR A 831 25.053 -7.626 4.858 1.00 0.00 O ATOM 854 CB THR A 831 23.925 -8.282 2.126 1.00 0.00 C ATOM 855 OG1 THR A 831 22.606 -8.203 1.572 1.00 0.00 O ATOM 856 CG2 THR A 831 24.881 -8.858 1.094 1.00 0.00 C ATOM 0 H THR A 831 21.926 -9.605 2.863 1.00 0.00 H new ATOM 0 HA THR A 831 24.744 -9.837 3.384 1.00 0.00 H new ATOM 0 HB THR A 831 24.271 -7.284 2.395 1.00 0.00 H new ATOM 0 HG1 THR A 831 22.644 -7.759 0.699 1.00 0.00 H new ATOM 0 HG21 THR A 831 24.880 -8.227 0.205 1.00 0.00 H new ATOM 0 HG22 THR A 831 25.887 -8.896 1.511 1.00 0.00 H new ATOM 0 HG23 THR A 831 24.562 -9.865 0.824 1.00 0.00 H new ATOM 864 N SER A 832 22.913 -8.152 5.374 1.00 0.00 N ATOM 865 CA SER A 832 22.831 -7.313 6.561 1.00 0.00 C ATOM 866 C SER A 832 22.943 -5.841 6.183 1.00 0.00 C ATOM 867 O SER A 832 23.537 -5.036 6.905 1.00 0.00 O ATOM 868 CB SER A 832 23.897 -7.700 7.585 1.00 0.00 C ATOM 869 OG SER A 832 24.157 -9.094 7.545 1.00 0.00 O ATOM 0 H SER A 832 22.056 -8.668 5.175 1.00 0.00 H new ATOM 0 HA SER A 832 21.857 -7.474 7.024 1.00 0.00 H new ATOM 0 HB2 SER A 832 24.816 -7.149 7.385 1.00 0.00 H new ATOM 0 HB3 SER A 832 23.567 -7.416 8.584 1.00 0.00 H new ATOM 0 HG SER A 832 24.844 -9.318 8.208 1.00 0.00 H new ATOM 875 N ASP A 833 22.367 -5.494 5.038 1.00 0.00 N ATOM 876 CA ASP A 833 22.296 -4.108 4.611 1.00 0.00 C ATOM 877 C ASP A 833 21.127 -3.434 5.314 1.00 0.00 C ATOM 878 O ASP A 833 20.073 -3.205 4.726 1.00 0.00 O ATOM 879 CB ASP A 833 22.143 -4.007 3.088 1.00 0.00 C ATOM 880 CG ASP A 833 22.611 -2.670 2.541 1.00 0.00 C ATOM 881 OD1 ASP A 833 22.352 -1.631 3.186 1.00 0.00 O ATOM 882 OD2 ASP A 833 23.246 -2.648 1.464 1.00 0.00 O ATOM 0 H ASP A 833 21.942 -6.157 4.390 1.00 0.00 H new ATOM 0 HA ASP A 833 23.224 -3.603 4.879 1.00 0.00 H new ATOM 0 HB2 ASP A 833 22.712 -4.808 2.616 1.00 0.00 H new ATOM 0 HB3 ASP A 833 21.097 -4.159 2.821 1.00 0.00 H new ATOM 887 N PHE A 834 21.322 -3.160 6.594 1.00 0.00 N ATOM 888 CA PHE A 834 20.281 -2.578 7.436 1.00 0.00 C ATOM 889 C PHE A 834 19.791 -1.237 6.903 1.00 0.00 C ATOM 890 O PHE A 834 18.620 -0.898 7.062 1.00 0.00 O ATOM 891 CB PHE A 834 20.784 -2.425 8.872 1.00 0.00 C ATOM 892 CG PHE A 834 21.175 -3.727 9.510 1.00 0.00 C ATOM 893 CD1 PHE A 834 20.217 -4.682 9.816 1.00 0.00 C ATOM 894 CD2 PHE A 834 22.503 -4.000 9.798 1.00 0.00 C ATOM 895 CE1 PHE A 834 20.576 -5.883 10.399 1.00 0.00 C ATOM 896 CE2 PHE A 834 22.867 -5.199 10.382 1.00 0.00 C ATOM 897 CZ PHE A 834 21.903 -6.141 10.682 1.00 0.00 C ATOM 0 H PHE A 834 22.202 -3.333 7.080 1.00 0.00 H new ATOM 0 HA PHE A 834 19.433 -3.262 7.421 1.00 0.00 H new ATOM 0 HB2 PHE A 834 21.643 -1.754 8.879 1.00 0.00 H new ATOM 0 HB3 PHE A 834 20.006 -1.954 9.473 1.00 0.00 H new ATOM 0 HD1 PHE A 834 19.178 -4.485 9.596 1.00 0.00 H new ATOM 0 HD2 PHE A 834 23.262 -3.268 9.564 1.00 0.00 H new ATOM 0 HE1 PHE A 834 19.820 -6.618 10.633 1.00 0.00 H new ATOM 0 HE2 PHE A 834 23.905 -5.399 10.604 1.00 0.00 H new ATOM 0 HZ PHE A 834 22.186 -7.078 11.137 1.00 0.00 H new ATOM 907 N ALA A 835 20.678 -0.484 6.266 1.00 0.00 N ATOM 908 CA ALA A 835 20.292 0.772 5.639 1.00 0.00 C ATOM 909 C ALA A 835 19.243 0.511 4.565 1.00 0.00 C ATOM 910 O ALA A 835 18.247 1.229 4.456 1.00 0.00 O ATOM 911 CB ALA A 835 21.507 1.467 5.042 1.00 0.00 C ATOM 0 H ALA A 835 21.666 -0.720 6.170 1.00 0.00 H new ATOM 0 HA ALA A 835 19.865 1.429 6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 835 21.199 2.404 4.578 1.00 0.00 H new ATOM 0 HB2 ALA A 835 22.232 1.673 5.830 1.00 0.00 H new ATOM 0 HB3 ALA A 835 21.962 0.822 4.290 1.00 0.00 H new ATOM 917 N ALA A 836 19.449 -0.557 3.805 1.00 0.00 N ATOM 918 CA ALA A 836 18.535 -0.915 2.736 1.00 0.00 C ATOM 919 C ALA A 836 17.279 -1.536 3.319 1.00 0.00 C ATOM 920 O ALA A 836 16.172 -1.298 2.843 1.00 0.00 O ATOM 921 CB ALA A 836 19.201 -1.870 1.757 1.00 0.00 C ATOM 0 H ALA A 836 20.243 -1.189 3.912 1.00 0.00 H new ATOM 0 HA ALA A 836 18.261 -0.012 2.191 1.00 0.00 H new ATOM 0 HB1 ALA A 836 18.499 -2.126 0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 836 20.080 -1.393 1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 836 19.502 -2.777 2.281 1.00 0.00 H new ATOM 927 N LEU A 837 17.470 -2.326 4.364 1.00 0.00 N ATOM 928 CA LEU A 837 16.367 -2.952 5.073 1.00 0.00 C ATOM 929 C LEU A 837 15.399 -1.891 5.585 1.00 0.00 C ATOM 930 O LEU A 837 14.192 -1.969 5.350 1.00 0.00 O ATOM 931 CB LEU A 837 16.910 -3.781 6.240 1.00 0.00 C ATOM 932 CG LEU A 837 16.814 -5.298 6.069 1.00 0.00 C ATOM 933 CD1 LEU A 837 17.116 -5.694 4.635 1.00 0.00 C ATOM 934 CD2 LEU A 837 17.765 -6.000 7.028 1.00 0.00 C ATOM 0 H LEU A 837 18.390 -2.550 4.743 1.00 0.00 H new ATOM 0 HA LEU A 837 15.830 -3.609 4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 837 17.956 -3.516 6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 837 16.371 -3.500 7.145 1.00 0.00 H new ATOM 0 HG LEU A 837 15.795 -5.608 6.302 1.00 0.00 H new ATOM 0 HD11 LEU A 837 17.043 -6.777 4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 837 16.398 -5.217 3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 837 18.124 -5.372 4.373 1.00 0.00 H new ATOM 0 HD21 LEU A 837 17.685 -7.079 6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 837 18.788 -5.683 6.823 1.00 0.00 H new ATOM 0 HD23 LEU A 837 17.504 -5.741 8.054 1.00 0.00 H new ATOM 946 N ALA A 838 15.948 -0.882 6.255 1.00 0.00 N ATOM 947 CA ALA A 838 15.149 0.209 6.790 1.00 0.00 C ATOM 948 C ALA A 838 14.462 0.980 5.671 1.00 0.00 C ATOM 949 O ALA A 838 13.299 1.357 5.796 1.00 0.00 O ATOM 950 CB ALA A 838 16.010 1.144 7.622 1.00 0.00 C ATOM 0 H ALA A 838 16.948 -0.800 6.439 1.00 0.00 H new ATOM 0 HA ALA A 838 14.380 -0.221 7.432 1.00 0.00 H new ATOM 0 HB1 ALA A 838 15.394 1.954 8.014 1.00 0.00 H new ATOM 0 HB2 ALA A 838 16.452 0.591 8.451 1.00 0.00 H new ATOM 0 HB3 ALA A 838 16.803 1.559 6.999 1.00 0.00 H new ATOM 956 N GLN A 839 15.185 1.206 4.581 1.00 0.00 N ATOM 957 CA GLN A 839 14.633 1.920 3.433 1.00 0.00 C ATOM 958 C GLN A 839 13.482 1.146 2.797 1.00 0.00 C ATOM 959 O GLN A 839 12.435 1.720 2.488 1.00 0.00 O ATOM 960 CB GLN A 839 15.722 2.184 2.394 1.00 0.00 C ATOM 961 CG GLN A 839 16.579 3.397 2.712 1.00 0.00 C ATOM 962 CD GLN A 839 15.767 4.595 3.162 1.00 0.00 C ATOM 963 OE1 GLN A 839 15.426 4.725 4.338 1.00 0.00 O ATOM 964 NE2 GLN A 839 15.447 5.480 2.232 1.00 0.00 N ATOM 0 H GLN A 839 16.153 0.906 4.466 1.00 0.00 H new ATOM 0 HA GLN A 839 14.244 2.873 3.792 1.00 0.00 H new ATOM 0 HB2 GLN A 839 16.363 1.305 2.319 1.00 0.00 H new ATOM 0 HB3 GLN A 839 15.257 2.323 1.418 1.00 0.00 H new ATOM 0 HG2 GLN A 839 17.293 3.136 3.493 1.00 0.00 H new ATOM 0 HG3 GLN A 839 17.157 3.668 1.829 1.00 0.00 H new ATOM 0 HE21 GLN A 839 15.748 5.338 1.268 1.00 0.00 H new ATOM 0 HE22 GLN A 839 14.900 6.304 2.479 1.00 0.00 H new ATOM 973 N THR A 840 13.670 -0.155 2.606 1.00 0.00 N ATOM 974 CA THR A 840 12.635 -0.989 2.006 1.00 0.00 C ATOM 975 C THR A 840 11.426 -1.124 2.934 1.00 0.00 C ATOM 976 O THR A 840 10.283 -1.022 2.490 1.00 0.00 O ATOM 977 CB THR A 840 13.172 -2.392 1.645 1.00 0.00 C ATOM 978 OG1 THR A 840 14.494 -2.289 1.094 1.00 0.00 O ATOM 979 CG2 THR A 840 12.259 -3.084 0.642 1.00 0.00 C ATOM 0 H THR A 840 14.524 -0.653 2.856 1.00 0.00 H new ATOM 0 HA THR A 840 12.322 -0.492 1.088 1.00 0.00 H new ATOM 0 HB THR A 840 13.202 -2.986 2.559 1.00 0.00 H new ATOM 0 HG1 THR A 840 15.142 -2.163 1.819 1.00 0.00 H new ATOM 0 HG21 THR A 840 12.660 -4.070 0.405 1.00 0.00 H new ATOM 0 HG22 THR A 840 11.262 -3.191 1.071 1.00 0.00 H new ATOM 0 HG23 THR A 840 12.200 -2.488 -0.268 1.00 0.00 H new ATOM 987 N ALA A 841 11.680 -1.330 4.225 1.00 0.00 N ATOM 988 CA ALA A 841 10.605 -1.439 5.208 1.00 0.00 C ATOM 989 C ALA A 841 9.843 -0.122 5.320 1.00 0.00 C ATOM 990 O ALA A 841 8.626 -0.107 5.488 1.00 0.00 O ATOM 991 CB ALA A 841 11.161 -1.854 6.562 1.00 0.00 C ATOM 0 H ALA A 841 12.618 -1.425 4.613 1.00 0.00 H new ATOM 0 HA ALA A 841 9.909 -2.208 4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 841 10.346 -1.930 7.282 1.00 0.00 H new ATOM 0 HB2 ALA A 841 11.657 -2.821 6.471 1.00 0.00 H new ATOM 0 HB3 ALA A 841 11.879 -1.109 6.904 1.00 0.00 H new ATOM 997 N HIS A 842 10.578 0.982 5.219 1.00 0.00 N ATOM 998 CA HIS A 842 9.985 2.314 5.205 1.00 0.00 C ATOM 999 C HIS A 842 9.039 2.456 4.020 1.00 0.00 C ATOM 1000 O HIS A 842 7.905 2.922 4.160 1.00 0.00 O ATOM 1001 CB HIS A 842 11.087 3.372 5.124 1.00 0.00 C ATOM 1002 CG HIS A 842 10.759 4.661 5.804 1.00 0.00 C ATOM 1003 ND1 HIS A 842 10.771 4.817 7.173 1.00 0.00 N ATOM 1004 CD2 HIS A 842 10.440 5.870 5.293 1.00 0.00 C ATOM 1005 CE1 HIS A 842 10.473 6.066 7.472 1.00 0.00 C ATOM 1006 NE2 HIS A 842 10.269 6.722 6.350 1.00 0.00 N ATOM 0 H HIS A 842 11.595 0.978 5.145 1.00 0.00 H new ATOM 0 HA HIS A 842 9.418 2.458 6.125 1.00 0.00 H new ATOM 0 HB2 HIS A 842 11.997 2.965 5.564 1.00 0.00 H new ATOM 0 HB3 HIS A 842 11.303 3.574 4.075 1.00 0.00 H new ATOM 0 HD1 HIS A 842 10.978 4.082 7.849 1.00 0.00 H new ATOM 0 HD2 HIS A 842 10.339 6.118 4.247 1.00 0.00 H new ATOM 0 HE1 HIS A 842 10.408 6.480 8.467 1.00 0.00 H new ATOM 1015 N ARG A 843 9.517 2.035 2.856 1.00 0.00 N ATOM 1016 CA ARG A 843 8.731 2.073 1.630 1.00 0.00 C ATOM 1017 C ARG A 843 7.505 1.169 1.748 1.00 0.00 C ATOM 1018 O ARG A 843 6.408 1.539 1.329 1.00 0.00 O ATOM 1019 CB ARG A 843 9.596 1.636 0.446 1.00 0.00 C ATOM 1020 CG ARG A 843 8.962 1.896 -0.909 1.00 0.00 C ATOM 1021 CD ARG A 843 8.403 0.621 -1.519 1.00 0.00 C ATOM 1022 NE ARG A 843 7.452 0.908 -2.587 1.00 0.00 N ATOM 1023 CZ ARG A 843 7.491 0.340 -3.790 1.00 0.00 C ATOM 1024 NH1 ARG A 843 8.382 -0.611 -4.051 1.00 0.00 N ATOM 1025 NH2 ARG A 843 6.610 0.702 -4.714 1.00 0.00 N ATOM 0 H ARG A 843 10.457 1.659 2.735 1.00 0.00 H new ATOM 0 HA ARG A 843 8.389 3.095 1.466 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.552 2.158 0.495 1.00 0.00 H new ATOM 0 HB3 ARG A 843 9.809 0.571 0.538 1.00 0.00 H new ATOM 0 HG2 ARG A 843 8.163 2.630 -0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 843 9.703 2.327 -1.582 1.00 0.00 H new ATOM 0 HD2 ARG A 843 9.220 0.016 -1.912 1.00 0.00 H new ATOM 0 HD3 ARG A 843 7.914 0.031 -0.744 1.00 0.00 H new ATOM 0 HE ARG A 843 6.712 1.585 -2.401 1.00 0.00 H new ATOM 0 HH11 ARG A 843 9.038 -0.907 -3.328 1.00 0.00 H new ATOM 0 HH12 ARG A 843 8.410 -1.045 -4.974 1.00 0.00 H new ATOM 0 HH21 ARG A 843 5.909 1.411 -4.500 1.00 0.00 H new ATOM 0 HH22 ARG A 843 6.634 0.271 -5.638 1.00 0.00 H new ATOM 1039 N LEU A 844 7.703 -0.011 2.324 1.00 0.00 N ATOM 1040 CA LEU A 844 6.621 -0.974 2.495 1.00 0.00 C ATOM 1041 C LEU A 844 5.556 -0.425 3.437 1.00 0.00 C ATOM 1042 O LEU A 844 4.359 -0.569 3.191 1.00 0.00 O ATOM 1043 CB LEU A 844 7.164 -2.300 3.033 1.00 0.00 C ATOM 1044 CG LEU A 844 7.586 -3.319 1.971 1.00 0.00 C ATOM 1045 CD1 LEU A 844 7.628 -4.717 2.568 1.00 0.00 C ATOM 1046 CD2 LEU A 844 6.641 -3.279 0.780 1.00 0.00 C ATOM 0 H LEU A 844 8.605 -0.325 2.681 1.00 0.00 H new ATOM 0 HA LEU A 844 6.166 -1.150 1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 844 8.023 -2.089 3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 844 6.402 -2.755 3.665 1.00 0.00 H new ATOM 0 HG LEU A 844 8.585 -3.058 1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 844 7.929 -5.431 1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 844 8.345 -4.741 3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 844 6.639 -4.983 2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 844 6.960 -4.011 0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 844 5.629 -3.514 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 844 6.656 -2.283 0.337 1.00 0.00 H new ATOM 1058 N LYS A 845 5.997 0.217 4.509 1.00 0.00 N ATOM 1059 CA LYS A 845 5.082 0.825 5.465 1.00 0.00 C ATOM 1060 C LYS A 845 4.248 1.904 4.779 1.00 0.00 C ATOM 1061 O LYS A 845 3.043 2.014 5.016 1.00 0.00 O ATOM 1062 CB LYS A 845 5.871 1.388 6.661 1.00 0.00 C ATOM 1063 CG LYS A 845 5.509 2.812 7.061 1.00 0.00 C ATOM 1064 CD LYS A 845 6.710 3.548 7.636 1.00 0.00 C ATOM 1065 CE LYS A 845 7.210 2.888 8.911 1.00 0.00 C ATOM 1066 NZ LYS A 845 7.485 3.877 9.986 1.00 0.00 N ATOM 0 H LYS A 845 6.984 0.331 4.739 1.00 0.00 H new ATOM 0 HA LYS A 845 4.395 0.068 5.845 1.00 0.00 H new ATOM 0 HB2 LYS A 845 5.714 0.735 7.520 1.00 0.00 H new ATOM 0 HB3 LYS A 845 6.934 1.353 6.424 1.00 0.00 H new ATOM 0 HG2 LYS A 845 5.132 3.351 6.192 1.00 0.00 H new ATOM 0 HG3 LYS A 845 4.706 2.792 7.797 1.00 0.00 H new ATOM 0 HD2 LYS A 845 7.512 3.570 6.898 1.00 0.00 H new ATOM 0 HD3 LYS A 845 6.439 4.583 7.843 1.00 0.00 H new ATOM 0 HE2 LYS A 845 6.468 2.170 9.261 1.00 0.00 H new ATOM 0 HE3 LYS A 845 8.119 2.327 8.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 8.380 3.636 10.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 7.557 4.828 9.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 6.711 3.859 10.680 1.00 0.00 H new ATOM 1080 N GLY A 846 4.892 2.671 3.904 1.00 0.00 N ATOM 1081 CA GLY A 846 4.196 3.715 3.175 1.00 0.00 C ATOM 1082 C GLY A 846 3.188 3.167 2.182 1.00 0.00 C ATOM 1083 O GLY A 846 2.064 3.666 2.091 1.00 0.00 O ATOM 0 H GLY A 846 5.885 2.587 3.687 1.00 0.00 H new ATOM 0 HA2 GLY A 846 3.684 4.367 3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 846 4.924 4.329 2.645 1.00 0.00 H new ATOM 1087 N VAL A 847 3.578 2.134 1.440 1.00 0.00 N ATOM 1088 CA VAL A 847 2.710 1.567 0.414 1.00 0.00 C ATOM 1089 C VAL A 847 1.564 0.761 1.034 1.00 0.00 C ATOM 1090 O VAL A 847 0.445 0.788 0.530 1.00 0.00 O ATOM 1091 CB VAL A 847 3.497 0.698 -0.603 1.00 0.00 C ATOM 1092 CG1 VAL A 847 3.932 -0.629 0.007 1.00 0.00 C ATOM 1093 CG2 VAL A 847 2.666 0.466 -1.856 1.00 0.00 C ATOM 0 H VAL A 847 4.485 1.675 1.530 1.00 0.00 H new ATOM 0 HA VAL A 847 2.283 2.408 -0.132 1.00 0.00 H new ATOM 0 HB VAL A 847 4.401 1.243 -0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 847 4.480 -1.209 -0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 847 4.575 -0.441 0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 847 3.053 -1.188 0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 847 3.231 -0.145 -2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 847 1.742 -0.048 -1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 847 2.428 1.424 -2.317 1.00 0.00 H new ATOM 1103 N PHE A 848 1.831 0.070 2.138 1.00 0.00 N ATOM 1104 CA PHE A 848 0.789 -0.685 2.822 1.00 0.00 C ATOM 1105 C PHE A 848 -0.237 0.273 3.422 1.00 0.00 C ATOM 1106 O PHE A 848 -1.445 0.035 3.351 1.00 0.00 O ATOM 1107 CB PHE A 848 1.392 -1.578 3.907 1.00 0.00 C ATOM 1108 CG PHE A 848 1.668 -2.981 3.439 1.00 0.00 C ATOM 1109 CD1 PHE A 848 2.889 -3.309 2.874 1.00 0.00 C ATOM 1110 CD2 PHE A 848 0.705 -3.972 3.565 1.00 0.00 C ATOM 1111 CE1 PHE A 848 3.147 -4.597 2.444 1.00 0.00 C ATOM 1112 CE2 PHE A 848 0.958 -5.261 3.137 1.00 0.00 C ATOM 1113 CZ PHE A 848 2.181 -5.575 2.575 1.00 0.00 C ATOM 0 H PHE A 848 2.752 0.018 2.574 1.00 0.00 H new ATOM 0 HA PHE A 848 0.289 -1.328 2.098 1.00 0.00 H new ATOM 0 HB2 PHE A 848 2.321 -1.131 4.260 1.00 0.00 H new ATOM 0 HB3 PHE A 848 0.712 -1.614 4.758 1.00 0.00 H new ATOM 0 HD1 PHE A 848 3.649 -2.549 2.768 1.00 0.00 H new ATOM 0 HD2 PHE A 848 -0.253 -3.733 4.003 1.00 0.00 H new ATOM 0 HE1 PHE A 848 4.104 -4.838 2.006 1.00 0.00 H new ATOM 0 HE2 PHE A 848 0.200 -6.023 3.242 1.00 0.00 H new ATOM 0 HZ PHE A 848 2.381 -6.582 2.239 1.00 0.00 H new ATOM 1123 N ALA A 849 0.256 1.373 3.985 1.00 0.00 N ATOM 1124 CA ALA A 849 -0.613 2.426 4.499 1.00 0.00 C ATOM 1125 C ALA A 849 -1.424 3.048 3.368 1.00 0.00 C ATOM 1126 O ALA A 849 -2.574 3.443 3.557 1.00 0.00 O ATOM 1127 CB ALA A 849 0.207 3.488 5.214 1.00 0.00 C ATOM 0 H ALA A 849 1.253 1.558 4.097 1.00 0.00 H new ATOM 0 HA ALA A 849 -1.305 1.984 5.216 1.00 0.00 H new ATOM 0 HB1 ALA A 849 -0.456 4.267 5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 849 0.744 3.034 6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 849 0.921 3.926 4.517 1.00 0.00 H new ATOM 1133 N MET A 850 -0.813 3.120 2.191 1.00 0.00 N ATOM 1134 CA MET A 850 -1.487 3.612 0.996 1.00 0.00 C ATOM 1135 C MET A 850 -2.639 2.686 0.611 1.00 0.00 C ATOM 1136 O MET A 850 -3.741 3.144 0.317 1.00 0.00 O ATOM 1137 CB MET A 850 -0.492 3.734 -0.158 1.00 0.00 C ATOM 1138 CG MET A 850 -1.133 4.100 -1.484 1.00 0.00 C ATOM 1139 SD MET A 850 -1.644 5.830 -1.560 1.00 0.00 S ATOM 1140 CE MET A 850 -3.382 5.649 -1.948 1.00 0.00 C ATOM 0 H MET A 850 0.156 2.841 2.039 1.00 0.00 H new ATOM 0 HA MET A 850 -1.897 4.599 1.210 1.00 0.00 H new ATOM 0 HB2 MET A 850 0.253 4.488 0.095 1.00 0.00 H new ATOM 0 HB3 MET A 850 0.038 2.788 -0.270 1.00 0.00 H new ATOM 0 HG2 MET A 850 -0.429 3.898 -2.291 1.00 0.00 H new ATOM 0 HG3 MET A 850 -2.001 3.462 -1.651 1.00 0.00 H new ATOM 0 HE1 MET A 850 -3.695 6.462 -2.604 1.00 0.00 H new ATOM 0 HE2 MET A 850 -3.545 4.695 -2.449 1.00 0.00 H new ATOM 0 HE3 MET A 850 -3.965 5.680 -1.028 1.00 0.00 H new ATOM 1150 N LEU A 851 -2.378 1.380 0.629 1.00 0.00 N ATOM 1151 CA LEU A 851 -3.412 0.385 0.338 1.00 0.00 C ATOM 1152 C LEU A 851 -4.413 0.300 1.488 1.00 0.00 C ATOM 1153 O LEU A 851 -5.464 -0.325 1.363 1.00 0.00 O ATOM 1154 CB LEU A 851 -2.788 -0.996 0.100 1.00 0.00 C ATOM 1155 CG LEU A 851 -1.574 -1.021 -0.828 1.00 0.00 C ATOM 1156 CD1 LEU A 851 -0.790 -2.309 -0.637 1.00 0.00 C ATOM 1157 CD2 LEU A 851 -2.004 -0.867 -2.278 1.00 0.00 C ATOM 0 H LEU A 851 -1.462 0.985 0.841 1.00 0.00 H new ATOM 0 HA LEU A 851 -3.932 0.699 -0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 851 -2.495 -1.413 1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 851 -3.552 -1.654 -0.313 1.00 0.00 H new ATOM 0 HG LEU A 851 -0.928 -0.181 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 851 0.072 -2.313 -1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 851 -0.449 -2.378 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 851 -1.430 -3.162 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 851 -1.125 -0.887 -2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 851 -2.671 -1.685 -2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 851 -2.525 0.082 -2.404 1.00 0.00 H new ATOM 1169 N ASN A 852 -4.040 0.909 2.614 1.00 0.00 N ATOM 1170 CA ASN A 852 -4.894 1.000 3.800 1.00 0.00 C ATOM 1171 C ASN A 852 -4.906 -0.325 4.545 1.00 0.00 C ATOM 1172 O ASN A 852 -5.844 -0.639 5.280 1.00 0.00 O ATOM 1173 CB ASN A 852 -6.323 1.441 3.443 1.00 0.00 C ATOM 1174 CG ASN A 852 -6.543 2.928 3.661 1.00 0.00 C ATOM 1175 OD1 ASN A 852 -7.318 3.337 4.527 1.00 0.00 O ATOM 1176 ND2 ASN A 852 -5.858 3.749 2.876 1.00 0.00 N ATOM 0 H ASN A 852 -3.131 1.356 2.730 1.00 0.00 H new ATOM 0 HA ASN A 852 -4.475 1.765 4.453 1.00 0.00 H new ATOM 0 HB2 ASN A 852 -6.526 1.196 2.401 1.00 0.00 H new ATOM 0 HB3 ASN A 852 -7.035 0.879 4.047 1.00 0.00 H new ATOM 0 HD21 ASN A 852 -5.963 4.758 2.978 1.00 0.00 H new ATOM 0 HD22 ASN A 852 -5.226 3.371 2.170 1.00 0.00 H new ATOM 1183 N LEU A 853 -3.845 -1.092 4.356 1.00 0.00 N ATOM 1184 CA LEU A 853 -3.678 -2.354 5.048 1.00 0.00 C ATOM 1185 C LEU A 853 -3.015 -2.107 6.394 1.00 0.00 C ATOM 1186 O LEU A 853 -1.791 -2.186 6.522 1.00 0.00 O ATOM 1187 CB LEU A 853 -2.845 -3.318 4.202 1.00 0.00 C ATOM 1188 CG LEU A 853 -3.522 -4.654 3.887 1.00 0.00 C ATOM 1189 CD1 LEU A 853 -2.817 -5.351 2.734 1.00 0.00 C ATOM 1190 CD2 LEU A 853 -3.544 -5.545 5.121 1.00 0.00 C ATOM 0 H LEU A 853 -3.081 -0.857 3.722 1.00 0.00 H new ATOM 0 HA LEU A 853 -4.655 -2.809 5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 853 -2.591 -2.827 3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 853 -1.908 -3.517 4.722 1.00 0.00 H new ATOM 0 HG LEU A 853 -4.552 -4.457 3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 853 -3.312 -6.299 2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 853 -2.856 -4.718 1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 853 -1.777 -5.537 3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 853 -4.029 -6.491 4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 853 -2.523 -5.735 5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 853 -4.096 -5.048 5.919 1.00 0.00 H new ATOM 1202 N VAL A 854 -3.841 -1.799 7.389 1.00 0.00 N ATOM 1203 CA VAL A 854 -3.371 -1.441 8.725 1.00 0.00 C ATOM 1204 C VAL A 854 -2.392 -2.473 9.307 1.00 0.00 C ATOM 1205 O VAL A 854 -1.261 -2.116 9.633 1.00 0.00 O ATOM 1206 CB VAL A 854 -4.543 -1.229 9.708 1.00 0.00 C ATOM 1207 CG1 VAL A 854 -4.072 -0.461 10.934 1.00 0.00 C ATOM 1208 CG2 VAL A 854 -5.693 -0.502 9.027 1.00 0.00 C ATOM 0 H VAL A 854 -4.856 -1.790 7.293 1.00 0.00 H new ATOM 0 HA VAL A 854 -2.835 -0.500 8.603 1.00 0.00 H new ATOM 0 HB VAL A 854 -4.904 -2.206 10.030 1.00 0.00 H new ATOM 0 HG11 VAL A 854 -4.909 -0.319 11.618 1.00 0.00 H new ATOM 0 HG12 VAL A 854 -3.285 -1.024 11.436 1.00 0.00 H new ATOM 0 HG13 VAL A 854 -3.685 0.511 10.628 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -6.508 -0.363 9.738 1.00 0.00 H new ATOM 0 HG22 VAL A 854 -5.350 0.471 8.674 1.00 0.00 H new ATOM 0 HG23 VAL A 854 -6.046 -1.092 8.181 1.00 0.00 H new ATOM 1218 N PRO A 855 -2.789 -3.761 9.439 1.00 0.00 N ATOM 1219 CA PRO A 855 -1.901 -4.797 9.992 1.00 0.00 C ATOM 1220 C PRO A 855 -0.629 -4.975 9.166 1.00 0.00 C ATOM 1221 O PRO A 855 0.444 -5.229 9.709 1.00 0.00 O ATOM 1222 CB PRO A 855 -2.748 -6.071 9.949 1.00 0.00 C ATOM 1223 CG PRO A 855 -4.157 -5.597 9.867 1.00 0.00 C ATOM 1224 CD PRO A 855 -4.114 -4.314 9.090 1.00 0.00 C ATOM 0 HA PRO A 855 -1.558 -4.537 10.993 1.00 0.00 H new ATOM 0 HB2 PRO A 855 -2.489 -6.688 9.089 1.00 0.00 H new ATOM 0 HB3 PRO A 855 -2.588 -6.681 10.838 1.00 0.00 H new ATOM 0 HG2 PRO A 855 -4.789 -6.334 9.370 1.00 0.00 H new ATOM 0 HG3 PRO A 855 -4.574 -5.438 10.861 1.00 0.00 H new ATOM 0 HD2 PRO A 855 -4.210 -4.487 8.018 1.00 0.00 H new ATOM 0 HD3 PRO A 855 -4.921 -3.640 9.377 1.00 0.00 H new ATOM 1232 N GLY A 856 -0.754 -4.825 7.852 1.00 0.00 N ATOM 1233 CA GLY A 856 0.405 -4.920 6.981 1.00 0.00 C ATOM 1234 C GLY A 856 1.381 -3.791 7.230 1.00 0.00 C ATOM 1235 O GLY A 856 2.584 -4.011 7.368 1.00 0.00 O ATOM 0 H GLY A 856 -1.636 -4.639 7.374 1.00 0.00 H new ATOM 0 HA2 GLY A 856 0.904 -5.876 7.141 1.00 0.00 H new ATOM 0 HA3 GLY A 856 0.082 -4.900 5.940 1.00 0.00 H new ATOM 1239 N LYS A 857 0.851 -2.576 7.300 1.00 0.00 N ATOM 1240 CA LYS A 857 1.653 -1.403 7.610 1.00 0.00 C ATOM 1241 C LYS A 857 2.247 -1.541 9.007 1.00 0.00 C ATOM 1242 O LYS A 857 3.405 -1.198 9.237 1.00 0.00 O ATOM 1243 CB LYS A 857 0.785 -0.137 7.487 1.00 0.00 C ATOM 1244 CG LYS A 857 1.024 0.914 8.562 1.00 0.00 C ATOM 1245 CD LYS A 857 -0.167 1.853 8.683 1.00 0.00 C ATOM 1246 CE LYS A 857 -0.007 2.824 9.842 1.00 0.00 C ATOM 1247 NZ LYS A 857 -0.723 4.104 9.594 1.00 0.00 N ATOM 0 H LYS A 857 -0.138 -2.379 7.145 1.00 0.00 H new ATOM 0 HA LYS A 857 2.477 -1.318 6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 857 0.965 0.315 6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 857 -0.264 -0.430 7.514 1.00 0.00 H new ATOM 0 HG2 LYS A 857 1.205 0.425 9.519 1.00 0.00 H new ATOM 0 HG3 LYS A 857 1.920 1.487 8.323 1.00 0.00 H new ATOM 0 HD2 LYS A 857 -0.285 2.412 7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 857 -1.077 1.269 8.821 1.00 0.00 H new ATOM 0 HE2 LYS A 857 -0.387 2.366 10.755 1.00 0.00 H new ATOM 0 HE3 LYS A 857 1.052 3.025 10.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 857 -0.590 4.739 10.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 857 -0.343 4.554 8.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 857 -1.737 3.915 9.465 1.00 0.00 H new ATOM 1261 N GLN A 858 1.443 -2.083 9.922 1.00 0.00 N ATOM 1262 CA GLN A 858 1.866 -2.345 11.292 1.00 0.00 C ATOM 1263 C GLN A 858 3.114 -3.225 11.312 1.00 0.00 C ATOM 1264 O GLN A 858 4.063 -2.959 12.054 1.00 0.00 O ATOM 1265 CB GLN A 858 0.728 -3.030 12.058 1.00 0.00 C ATOM 1266 CG GLN A 858 0.797 -2.838 13.559 1.00 0.00 C ATOM 1267 CD GLN A 858 0.742 -4.151 14.314 1.00 0.00 C ATOM 1268 OE1 GLN A 858 1.774 -4.721 14.670 1.00 0.00 O ATOM 1269 NE2 GLN A 858 -0.462 -4.643 14.557 1.00 0.00 N ATOM 0 H GLN A 858 0.478 -2.352 9.730 1.00 0.00 H new ATOM 0 HA GLN A 858 2.108 -1.397 11.772 1.00 0.00 H new ATOM 0 HB2 GLN A 858 -0.225 -2.644 11.695 1.00 0.00 H new ATOM 0 HB3 GLN A 858 0.745 -4.097 11.837 1.00 0.00 H new ATOM 0 HG2 GLN A 858 1.719 -2.314 13.813 1.00 0.00 H new ATOM 0 HG3 GLN A 858 -0.029 -2.203 13.879 1.00 0.00 H new ATOM 0 HE21 GLN A 858 -1.292 -4.139 14.245 1.00 0.00 H new ATOM 0 HE22 GLN A 858 -0.560 -5.527 15.057 1.00 0.00 H new ATOM 1278 N LEU A 859 3.109 -4.262 10.482 1.00 0.00 N ATOM 1279 CA LEU A 859 4.252 -5.154 10.360 1.00 0.00 C ATOM 1280 C LEU A 859 5.477 -4.393 9.862 1.00 0.00 C ATOM 1281 O LEU A 859 6.554 -4.495 10.440 1.00 0.00 O ATOM 1282 CB LEU A 859 3.932 -6.307 9.404 1.00 0.00 C ATOM 1283 CG LEU A 859 2.950 -7.351 9.942 1.00 0.00 C ATOM 1284 CD1 LEU A 859 2.199 -8.017 8.799 1.00 0.00 C ATOM 1285 CD2 LEU A 859 3.682 -8.391 10.774 1.00 0.00 C ATOM 0 H LEU A 859 2.321 -4.505 9.882 1.00 0.00 H new ATOM 0 HA LEU A 859 4.470 -5.563 11.347 1.00 0.00 H new ATOM 0 HB2 LEU A 859 3.525 -5.891 8.483 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.863 -6.809 9.143 1.00 0.00 H new ATOM 0 HG LEU A 859 2.226 -6.845 10.581 1.00 0.00 H new ATOM 0 HD11 LEU A 859 1.506 -8.756 9.201 1.00 0.00 H new ATOM 0 HD12 LEU A 859 1.643 -7.264 8.241 1.00 0.00 H new ATOM 0 HD13 LEU A 859 2.909 -8.509 8.135 1.00 0.00 H new ATOM 0 HD21 LEU A 859 2.969 -9.125 11.148 1.00 0.00 H new ATOM 0 HD22 LEU A 859 4.428 -8.892 10.157 1.00 0.00 H new ATOM 0 HD23 LEU A 859 4.175 -7.903 11.615 1.00 0.00 H new ATOM 1297 N CYS A 860 5.295 -3.613 8.802 1.00 0.00 N ATOM 1298 CA CYS A 860 6.392 -2.854 8.205 1.00 0.00 C ATOM 1299 C CYS A 860 6.982 -1.833 9.182 1.00 0.00 C ATOM 1300 O CYS A 860 8.201 -1.670 9.248 1.00 0.00 O ATOM 1301 CB CYS A 860 5.915 -2.156 6.935 1.00 0.00 C ATOM 1302 SG CYS A 860 5.135 -3.262 5.736 1.00 0.00 S ATOM 0 H CYS A 860 4.396 -3.488 8.336 1.00 0.00 H new ATOM 0 HA CYS A 860 7.184 -3.560 7.955 1.00 0.00 H new ATOM 0 HB2 CYS A 860 5.206 -1.374 7.207 1.00 0.00 H new ATOM 0 HB3 CYS A 860 6.765 -1.665 6.461 1.00 0.00 H new ATOM 0 HG CYS A 860 4.017 -3.711 6.223 1.00 0.00 H new ATOM 1308 N GLU A 861 6.124 -1.146 9.936 1.00 0.00 N ATOM 1309 CA GLU A 861 6.585 -0.182 10.932 1.00 0.00 C ATOM 1310 C GLU A 861 7.443 -0.877 11.983 1.00 0.00 C ATOM 1311 O GLU A 861 8.538 -0.419 12.318 1.00 0.00 O ATOM 1312 CB GLU A 861 5.398 0.516 11.605 1.00 0.00 C ATOM 1313 CG GLU A 861 4.469 1.217 10.627 1.00 0.00 C ATOM 1314 CD GLU A 861 4.307 2.694 10.918 1.00 0.00 C ATOM 1315 OE1 GLU A 861 5.273 3.324 11.399 1.00 0.00 O ATOM 1316 OE2 GLU A 861 3.217 3.239 10.656 1.00 0.00 O ATOM 0 H GLU A 861 5.110 -1.239 9.876 1.00 0.00 H new ATOM 0 HA GLU A 861 7.186 0.571 10.423 1.00 0.00 H new ATOM 0 HB2 GLU A 861 4.827 -0.221 12.171 1.00 0.00 H new ATOM 0 HB3 GLU A 861 5.775 1.246 12.321 1.00 0.00 H new ATOM 0 HG2 GLU A 861 4.855 1.092 9.615 1.00 0.00 H new ATOM 0 HG3 GLU A 861 3.491 0.737 10.657 1.00 0.00 H new ATOM 1323 N THR A 862 6.948 -2.001 12.482 1.00 0.00 N ATOM 1324 CA THR A 862 7.686 -2.782 13.459 1.00 0.00 C ATOM 1325 C THR A 862 8.970 -3.342 12.848 1.00 0.00 C ATOM 1326 O THR A 862 10.000 -3.413 13.513 1.00 0.00 O ATOM 1327 CB THR A 862 6.832 -3.939 14.013 1.00 0.00 C ATOM 1328 OG1 THR A 862 5.520 -3.464 14.353 1.00 0.00 O ATOM 1329 CG2 THR A 862 7.490 -4.555 15.239 1.00 0.00 C ATOM 0 H THR A 862 6.041 -2.390 12.226 1.00 0.00 H new ATOM 0 HA THR A 862 7.942 -2.114 14.281 1.00 0.00 H new ATOM 0 HB THR A 862 6.749 -4.704 13.241 1.00 0.00 H new ATOM 0 HG1 THR A 862 4.992 -3.348 13.536 1.00 0.00 H new ATOM 0 HG21 THR A 862 6.870 -5.370 15.614 1.00 0.00 H new ATOM 0 HG22 THR A 862 8.473 -4.941 14.969 1.00 0.00 H new ATOM 0 HG23 THR A 862 7.599 -3.796 16.014 1.00 0.00 H new ATOM 1337 N LEU A 863 8.901 -3.714 11.573 1.00 0.00 N ATOM 1338 CA LEU A 863 10.050 -4.265 10.862 1.00 0.00 C ATOM 1339 C LEU A 863 11.207 -3.274 10.847 1.00 0.00 C ATOM 1340 O LEU A 863 12.315 -3.605 11.260 1.00 0.00 O ATOM 1341 CB LEU A 863 9.664 -4.631 9.424 1.00 0.00 C ATOM 1342 CG LEU A 863 10.047 -6.044 8.978 1.00 0.00 C ATOM 1343 CD1 LEU A 863 9.790 -6.220 7.490 1.00 0.00 C ATOM 1344 CD2 LEU A 863 11.505 -6.336 9.300 1.00 0.00 C ATOM 0 H LEU A 863 8.055 -3.643 11.008 1.00 0.00 H new ATOM 0 HA LEU A 863 10.369 -5.165 11.387 1.00 0.00 H new ATOM 0 HB2 LEU A 863 8.586 -4.514 9.315 1.00 0.00 H new ATOM 0 HB3 LEU A 863 10.132 -3.916 8.748 1.00 0.00 H new ATOM 0 HG LEU A 863 9.426 -6.753 9.526 1.00 0.00 H new ATOM 0 HD11 LEU A 863 10.068 -7.230 7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 863 8.733 -6.057 7.282 1.00 0.00 H new ATOM 0 HD13 LEU A 863 10.385 -5.499 6.930 1.00 0.00 H new ATOM 0 HD21 LEU A 863 11.754 -7.346 8.974 1.00 0.00 H new ATOM 0 HD22 LEU A 863 12.143 -5.620 8.782 1.00 0.00 H new ATOM 0 HD23 LEU A 863 11.664 -6.252 10.375 1.00 0.00 H new ATOM 1356 N GLU A 864 10.948 -2.053 10.388 1.00 0.00 N ATOM 1357 CA GLU A 864 11.998 -1.045 10.305 1.00 0.00 C ATOM 1358 C GLU A 864 12.499 -0.677 11.700 1.00 0.00 C ATOM 1359 O GLU A 864 13.677 -0.374 11.888 1.00 0.00 O ATOM 1360 CB GLU A 864 11.515 0.198 9.548 1.00 0.00 C ATOM 1361 CG GLU A 864 10.494 1.034 10.299 1.00 0.00 C ATOM 1362 CD GLU A 864 10.514 2.487 9.880 1.00 0.00 C ATOM 1363 OE1 GLU A 864 11.017 2.789 8.779 1.00 0.00 O ATOM 1364 OE2 GLU A 864 10.013 3.337 10.644 1.00 0.00 O ATOM 0 H GLU A 864 10.030 -1.741 10.071 1.00 0.00 H new ATOM 0 HA GLU A 864 12.831 -1.469 9.744 1.00 0.00 H new ATOM 0 HB2 GLU A 864 12.377 0.823 9.314 1.00 0.00 H new ATOM 0 HB3 GLU A 864 11.082 -0.116 8.598 1.00 0.00 H new ATOM 0 HG2 GLU A 864 9.498 0.624 10.130 1.00 0.00 H new ATOM 0 HG3 GLU A 864 10.689 0.965 11.369 1.00 0.00 H new ATOM 1371 N HIS A 865 11.601 -0.728 12.676 1.00 0.00 N ATOM 1372 CA HIS A 865 11.976 -0.536 14.070 1.00 0.00 C ATOM 1373 C HIS A 865 12.928 -1.647 14.507 1.00 0.00 C ATOM 1374 O HIS A 865 13.934 -1.392 15.167 1.00 0.00 O ATOM 1375 CB HIS A 865 10.721 -0.533 14.950 1.00 0.00 C ATOM 1376 CG HIS A 865 10.929 0.040 16.319 1.00 0.00 C ATOM 1377 ND1 HIS A 865 10.217 1.116 16.794 1.00 0.00 N ATOM 1378 CD2 HIS A 865 11.748 -0.340 17.327 1.00 0.00 C ATOM 1379 CE1 HIS A 865 10.593 1.379 18.031 1.00 0.00 C ATOM 1380 NE2 HIS A 865 11.522 0.510 18.377 1.00 0.00 N ATOM 0 H HIS A 865 10.607 -0.901 12.527 1.00 0.00 H new ATOM 0 HA HIS A 865 12.482 0.423 14.178 1.00 0.00 H new ATOM 0 HB2 HIS A 865 9.939 0.035 14.446 1.00 0.00 H new ATOM 0 HB3 HIS A 865 10.358 -1.556 15.048 1.00 0.00 H new ATOM 0 HD2 HIS A 865 12.449 -1.161 17.307 1.00 0.00 H new ATOM 0 HE1 HIS A 865 10.206 2.171 18.654 1.00 0.00 H new ATOM 0 HE2 HIS A 865 11.995 0.476 19.280 1.00 0.00 H new ATOM 1389 N LEU A 866 12.611 -2.877 14.121 1.00 0.00 N ATOM 1390 CA LEU A 866 13.451 -4.024 14.430 1.00 0.00 C ATOM 1391 C LEU A 866 14.800 -3.898 13.732 1.00 0.00 C ATOM 1392 O LEU A 866 15.820 -4.347 14.248 1.00 0.00 O ATOM 1393 CB LEU A 866 12.764 -5.323 14.000 1.00 0.00 C ATOM 1394 CG LEU A 866 11.549 -5.730 14.838 1.00 0.00 C ATOM 1395 CD1 LEU A 866 10.905 -6.980 14.265 1.00 0.00 C ATOM 1396 CD2 LEU A 866 11.945 -5.954 16.290 1.00 0.00 C ATOM 0 H LEU A 866 11.771 -3.105 13.589 1.00 0.00 H new ATOM 0 HA LEU A 866 13.611 -4.050 15.508 1.00 0.00 H new ATOM 0 HB2 LEU A 866 12.450 -5.222 12.961 1.00 0.00 H new ATOM 0 HB3 LEU A 866 13.496 -6.130 14.035 1.00 0.00 H new ATOM 0 HG LEU A 866 10.823 -4.918 14.804 1.00 0.00 H new ATOM 0 HD11 LEU A 866 10.043 -7.256 14.872 1.00 0.00 H new ATOM 0 HD12 LEU A 866 10.582 -6.787 13.242 1.00 0.00 H new ATOM 0 HD13 LEU A 866 11.628 -7.796 14.269 1.00 0.00 H new ATOM 0 HD21 LEU A 866 11.066 -6.242 16.867 1.00 0.00 H new ATOM 0 HD22 LEU A 866 12.691 -6.746 16.345 1.00 0.00 H new ATOM 0 HD23 LEU A 866 12.362 -5.034 16.700 1.00 0.00 H new ATOM 1408 N ILE A 867 14.797 -3.264 12.567 1.00 0.00 N ATOM 1409 CA ILE A 867 16.012 -3.089 11.787 1.00 0.00 C ATOM 1410 C ILE A 867 16.885 -2.030 12.437 1.00 0.00 C ATOM 1411 O ILE A 867 18.098 -2.189 12.561 1.00 0.00 O ATOM 1412 CB ILE A 867 15.697 -2.688 10.326 1.00 0.00 C ATOM 1413 CG1 ILE A 867 15.052 -3.858 9.580 1.00 0.00 C ATOM 1414 CG2 ILE A 867 16.956 -2.234 9.605 1.00 0.00 C ATOM 1415 CD1 ILE A 867 14.067 -3.428 8.517 1.00 0.00 C ATOM 0 H ILE A 867 13.962 -2.861 12.141 1.00 0.00 H new ATOM 0 HA ILE A 867 16.541 -4.042 11.764 1.00 0.00 H new ATOM 0 HB ILE A 867 14.995 -1.854 10.346 1.00 0.00 H new ATOM 0 HG12 ILE A 867 15.835 -4.459 9.117 1.00 0.00 H new ATOM 0 HG13 ILE A 867 14.542 -4.499 10.299 1.00 0.00 H new ATOM 0 HG21 ILE A 867 16.709 -1.957 8.580 1.00 0.00 H new ATOM 0 HG22 ILE A 867 17.380 -1.373 10.121 1.00 0.00 H new ATOM 0 HG23 ILE A 867 17.683 -3.046 9.596 1.00 0.00 H new ATOM 0 HD11 ILE A 867 13.650 -4.309 8.030 1.00 0.00 H new ATOM 0 HD12 ILE A 867 13.263 -2.853 8.977 1.00 0.00 H new ATOM 0 HD13 ILE A 867 14.577 -2.811 7.777 1.00 0.00 H new ATOM 1427 N ARG A 868 16.236 -0.964 12.876 1.00 0.00 N ATOM 1428 CA ARG A 868 16.902 0.120 13.570 1.00 0.00 C ATOM 1429 C ARG A 868 17.543 -0.385 14.866 1.00 0.00 C ATOM 1430 O ARG A 868 18.621 0.061 15.255 1.00 0.00 O ATOM 1431 CB ARG A 868 15.888 1.244 13.837 1.00 0.00 C ATOM 1432 CG ARG A 868 15.462 1.392 15.280 1.00 0.00 C ATOM 1433 CD ARG A 868 16.317 2.420 15.986 1.00 0.00 C ATOM 1434 NE ARG A 868 15.545 3.560 16.473 1.00 0.00 N ATOM 1435 CZ ARG A 868 15.534 3.960 17.741 1.00 0.00 C ATOM 1436 NH1 ARG A 868 16.138 3.241 18.678 1.00 0.00 N ATOM 1437 NH2 ARG A 868 14.877 5.059 18.082 1.00 0.00 N ATOM 0 H ARG A 868 15.232 -0.828 12.760 1.00 0.00 H new ATOM 0 HA ARG A 868 17.705 0.517 12.950 1.00 0.00 H new ATOM 0 HB2 ARG A 868 16.318 2.188 13.503 1.00 0.00 H new ATOM 0 HB3 ARG A 868 15.001 1.065 13.229 1.00 0.00 H new ATOM 0 HG2 ARG A 868 14.414 1.689 15.327 1.00 0.00 H new ATOM 0 HG3 ARG A 868 15.544 0.432 15.789 1.00 0.00 H new ATOM 0 HD2 ARG A 868 16.827 1.947 16.825 1.00 0.00 H new ATOM 0 HD3 ARG A 868 17.089 2.775 15.303 1.00 0.00 H new ATOM 0 HE ARG A 868 14.981 4.080 15.801 1.00 0.00 H new ATOM 0 HH11 ARG A 868 16.615 2.375 18.428 1.00 0.00 H new ATOM 0 HH12 ARG A 868 16.125 3.554 19.649 1.00 0.00 H new ATOM 0 HH21 ARG A 868 14.380 5.597 17.372 1.00 0.00 H new ATOM 0 HH22 ARG A 868 14.868 5.367 19.054 1.00 0.00 H new ATOM 1451 N GLU A 869 16.881 -1.338 15.511 1.00 0.00 N ATOM 1452 CA GLU A 869 17.374 -1.908 16.758 1.00 0.00 C ATOM 1453 C GLU A 869 18.277 -3.105 16.484 1.00 0.00 C ATOM 1454 O GLU A 869 18.753 -3.764 17.412 1.00 0.00 O ATOM 1455 CB GLU A 869 16.198 -2.324 17.640 1.00 0.00 C ATOM 1456 CG GLU A 869 15.348 -1.156 18.107 1.00 0.00 C ATOM 1457 CD GLU A 869 16.055 -0.293 19.128 1.00 0.00 C ATOM 1458 OE1 GLU A 869 16.779 0.637 18.730 1.00 0.00 O ATOM 1459 OE2 GLU A 869 15.883 -0.542 20.341 1.00 0.00 O ATOM 0 H GLU A 869 15.998 -1.733 15.189 1.00 0.00 H new ATOM 0 HA GLU A 869 17.960 -1.151 17.279 1.00 0.00 H new ATOM 0 HB2 GLU A 869 15.569 -3.023 17.088 1.00 0.00 H new ATOM 0 HB3 GLU A 869 16.578 -2.857 18.511 1.00 0.00 H new ATOM 0 HG2 GLU A 869 15.074 -0.544 17.247 1.00 0.00 H new ATOM 0 HG3 GLU A 869 14.421 -1.535 18.537 1.00 0.00 H new ATOM 1466 N LYS A 870 18.500 -3.373 15.198 1.00 0.00 N ATOM 1467 CA LYS A 870 19.353 -4.465 14.743 1.00 0.00 C ATOM 1468 C LYS A 870 18.924 -5.811 15.327 1.00 0.00 C ATOM 1469 O LYS A 870 19.754 -6.614 15.756 1.00 0.00 O ATOM 1470 CB LYS A 870 20.821 -4.173 15.069 1.00 0.00 C ATOM 1471 CG LYS A 870 21.681 -3.993 13.829 1.00 0.00 C ATOM 1472 CD LYS A 870 22.294 -2.603 13.761 1.00 0.00 C ATOM 1473 CE LYS A 870 23.621 -2.627 13.021 1.00 0.00 C ATOM 1474 NZ LYS A 870 24.155 -1.264 12.757 1.00 0.00 N ATOM 0 H LYS A 870 18.089 -2.832 14.437 1.00 0.00 H new ATOM 0 HA LYS A 870 19.242 -4.535 13.661 1.00 0.00 H new ATOM 0 HB2 LYS A 870 20.879 -3.271 15.679 1.00 0.00 H new ATOM 0 HB3 LYS A 870 21.224 -4.990 15.668 1.00 0.00 H new ATOM 0 HG2 LYS A 870 22.475 -4.740 13.826 1.00 0.00 H new ATOM 0 HG3 LYS A 870 21.076 -4.167 12.939 1.00 0.00 H new ATOM 0 HD2 LYS A 870 21.606 -1.923 13.259 1.00 0.00 H new ATOM 0 HD3 LYS A 870 22.443 -2.218 14.770 1.00 0.00 H new ATOM 0 HE2 LYS A 870 24.348 -3.191 13.605 1.00 0.00 H new ATOM 0 HE3 LYS A 870 23.495 -3.153 12.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 25.060 -1.338 12.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 23.476 -0.732 12.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 24.302 -0.768 13.659 1.00 0.00 H new ATOM 1488 N ASP A 871 17.622 -6.052 15.337 1.00 0.00 N ATOM 1489 CA ASP A 871 17.081 -7.339 15.758 1.00 0.00 C ATOM 1490 C ASP A 871 17.071 -8.281 14.565 1.00 0.00 C ATOM 1491 O ASP A 871 16.017 -8.564 14.005 1.00 0.00 O ATOM 1492 CB ASP A 871 15.657 -7.176 16.314 1.00 0.00 C ATOM 1493 CG ASP A 871 15.170 -8.401 17.076 1.00 0.00 C ATOM 1494 OD1 ASP A 871 15.920 -9.396 17.171 1.00 0.00 O ATOM 1495 OD2 ASP A 871 14.037 -8.366 17.602 1.00 0.00 O ATOM 0 H ASP A 871 16.916 -5.371 15.057 1.00 0.00 H new ATOM 0 HA ASP A 871 17.707 -7.750 16.551 1.00 0.00 H new ATOM 0 HB2 ASP A 871 15.628 -6.309 16.974 1.00 0.00 H new ATOM 0 HB3 ASP A 871 14.973 -6.972 15.490 1.00 0.00 H new ATOM 1500 N VAL A 872 18.260 -8.743 14.174 1.00 0.00 N ATOM 1501 CA VAL A 872 18.435 -9.550 12.962 1.00 0.00 C ATOM 1502 C VAL A 872 17.419 -10.696 12.864 1.00 0.00 C ATOM 1503 O VAL A 872 16.674 -10.766 11.884 1.00 0.00 O ATOM 1504 CB VAL A 872 19.868 -10.116 12.843 1.00 0.00 C ATOM 1505 CG1 VAL A 872 20.180 -10.485 11.398 1.00 0.00 C ATOM 1506 CG2 VAL A 872 20.889 -9.117 13.373 1.00 0.00 C ATOM 0 H VAL A 872 19.126 -8.570 14.685 1.00 0.00 H new ATOM 0 HA VAL A 872 18.258 -8.868 12.131 1.00 0.00 H new ATOM 0 HB VAL A 872 19.929 -11.020 13.450 1.00 0.00 H new ATOM 0 HG11 VAL A 872 21.193 -10.882 11.334 1.00 0.00 H new ATOM 0 HG12 VAL A 872 19.473 -11.240 11.054 1.00 0.00 H new ATOM 0 HG13 VAL A 872 20.098 -9.598 10.770 1.00 0.00 H new ATOM 0 HG21 VAL A 872 21.891 -9.536 13.279 1.00 0.00 H new ATOM 0 HG22 VAL A 872 20.827 -8.193 12.797 1.00 0.00 H new ATOM 0 HG23 VAL A 872 20.681 -8.906 14.422 1.00 0.00 H new ATOM 1516 N PRO A 873 17.351 -11.599 13.871 1.00 0.00 N ATOM 1517 CA PRO A 873 16.387 -12.704 13.862 1.00 0.00 C ATOM 1518 C PRO A 873 14.950 -12.208 13.727 1.00 0.00 C ATOM 1519 O PRO A 873 14.149 -12.789 12.995 1.00 0.00 O ATOM 1520 CB PRO A 873 16.595 -13.396 15.217 1.00 0.00 C ATOM 1521 CG PRO A 873 17.366 -12.425 16.045 1.00 0.00 C ATOM 1522 CD PRO A 873 18.192 -11.627 15.082 1.00 0.00 C ATOM 0 HA PRO A 873 16.545 -13.370 13.014 1.00 0.00 H new ATOM 0 HB2 PRO A 873 15.641 -13.639 15.684 1.00 0.00 H new ATOM 0 HB3 PRO A 873 17.141 -14.332 15.100 1.00 0.00 H new ATOM 0 HG2 PRO A 873 16.697 -11.779 16.614 1.00 0.00 H new ATOM 0 HG3 PRO A 873 17.999 -12.943 16.766 1.00 0.00 H new ATOM 0 HD2 PRO A 873 18.393 -10.624 15.457 1.00 0.00 H new ATOM 0 HD3 PRO A 873 19.157 -12.096 14.893 1.00 0.00 H new ATOM 1530 N GLY A 874 14.642 -11.113 14.413 1.00 0.00 N ATOM 1531 CA GLY A 874 13.316 -10.533 14.335 1.00 0.00 C ATOM 1532 C GLY A 874 13.025 -9.958 12.964 1.00 0.00 C ATOM 1533 O GLY A 874 11.894 -10.030 12.481 1.00 0.00 O ATOM 0 H GLY A 874 15.290 -10.616 15.024 1.00 0.00 H new ATOM 0 HA2 GLY A 874 12.573 -11.294 14.573 1.00 0.00 H new ATOM 0 HA3 GLY A 874 13.220 -9.748 15.085 1.00 0.00 H new ATOM 1537 N ILE A 875 14.051 -9.395 12.336 1.00 0.00 N ATOM 1538 CA ILE A 875 13.925 -8.832 11.001 1.00 0.00 C ATOM 1539 C ILE A 875 13.494 -9.908 10.009 1.00 0.00 C ATOM 1540 O ILE A 875 12.473 -9.763 9.337 1.00 0.00 O ATOM 1541 CB ILE A 875 15.243 -8.179 10.523 1.00 0.00 C ATOM 1542 CG1 ILE A 875 15.576 -6.961 11.389 1.00 0.00 C ATOM 1543 CG2 ILE A 875 15.143 -7.775 9.059 1.00 0.00 C ATOM 1544 CD1 ILE A 875 17.033 -6.557 11.337 1.00 0.00 C ATOM 0 H ILE A 875 14.986 -9.317 12.736 1.00 0.00 H new ATOM 0 HA ILE A 875 13.163 -8.054 11.049 1.00 0.00 H new ATOM 0 HB ILE A 875 16.045 -8.910 10.623 1.00 0.00 H new ATOM 0 HG12 ILE A 875 14.963 -6.119 11.067 1.00 0.00 H new ATOM 0 HG13 ILE A 875 15.305 -7.176 12.423 1.00 0.00 H new ATOM 0 HG21 ILE A 875 16.081 -7.318 8.743 1.00 0.00 H new ATOM 0 HG22 ILE A 875 14.947 -8.658 8.451 1.00 0.00 H new ATOM 0 HG23 ILE A 875 14.330 -7.060 8.934 1.00 0.00 H new ATOM 0 HD11 ILE A 875 17.192 -5.688 11.975 1.00 0.00 H new ATOM 0 HD12 ILE A 875 17.652 -7.383 11.688 1.00 0.00 H new ATOM 0 HD13 ILE A 875 17.305 -6.309 10.311 1.00 0.00 H new ATOM 1556 N GLU A 876 14.252 -11.002 9.941 1.00 0.00 N ATOM 1557 CA GLU A 876 13.916 -12.086 9.018 1.00 0.00 C ATOM 1558 C GLU A 876 12.531 -12.637 9.329 1.00 0.00 C ATOM 1559 O GLU A 876 11.742 -12.904 8.422 1.00 0.00 O ATOM 1560 CB GLU A 876 14.938 -13.228 9.071 1.00 0.00 C ATOM 1561 CG GLU A 876 16.250 -12.883 9.751 1.00 0.00 C ATOM 1562 CD GLU A 876 16.915 -14.103 10.351 1.00 0.00 C ATOM 1563 OE1 GLU A 876 16.245 -15.149 10.482 1.00 0.00 O ATOM 1564 OE2 GLU A 876 18.112 -14.028 10.691 1.00 0.00 O ATOM 0 H GLU A 876 15.088 -11.161 10.503 1.00 0.00 H new ATOM 0 HA GLU A 876 13.932 -11.664 8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 876 14.488 -14.074 9.590 1.00 0.00 H new ATOM 0 HB3 GLU A 876 15.149 -13.555 8.053 1.00 0.00 H new ATOM 0 HG2 GLU A 876 16.923 -12.422 9.028 1.00 0.00 H new ATOM 0 HG3 GLU A 876 16.070 -12.146 10.534 1.00 0.00 H new ATOM 1571 N LYS A 877 12.239 -12.782 10.617 1.00 0.00 N ATOM 1572 CA LYS A 877 10.946 -13.286 11.064 1.00 0.00 C ATOM 1573 C LYS A 877 9.811 -12.396 10.571 1.00 0.00 C ATOM 1574 O LYS A 877 8.835 -12.881 10.002 1.00 0.00 O ATOM 1575 CB LYS A 877 10.905 -13.372 12.589 1.00 0.00 C ATOM 1576 CG LYS A 877 11.516 -14.647 13.141 1.00 0.00 C ATOM 1577 CD LYS A 877 10.798 -15.093 14.401 1.00 0.00 C ATOM 1578 CE LYS A 877 11.700 -14.999 15.618 1.00 0.00 C ATOM 1579 NZ LYS A 877 11.388 -16.058 16.610 1.00 0.00 N ATOM 0 H LYS A 877 12.885 -12.556 11.374 1.00 0.00 H new ATOM 0 HA LYS A 877 10.814 -14.283 10.644 1.00 0.00 H new ATOM 0 HB2 LYS A 877 11.433 -12.515 13.007 1.00 0.00 H new ATOM 0 HB3 LYS A 877 9.869 -13.302 12.921 1.00 0.00 H new ATOM 0 HG2 LYS A 877 11.463 -15.435 12.390 1.00 0.00 H new ATOM 0 HG3 LYS A 877 12.572 -14.484 13.358 1.00 0.00 H new ATOM 0 HD2 LYS A 877 9.913 -14.476 14.554 1.00 0.00 H new ATOM 0 HD3 LYS A 877 10.454 -16.120 14.281 1.00 0.00 H new ATOM 0 HE2 LYS A 877 12.741 -15.085 15.308 1.00 0.00 H new ATOM 0 HE3 LYS A 877 11.586 -14.019 16.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 877 12.023 -15.965 17.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 877 10.401 -15.960 16.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 877 11.521 -16.993 16.174 1.00 0.00 H new ATOM 1593 N TYR A 878 9.948 -11.094 10.768 1.00 0.00 N ATOM 1594 CA TYR A 878 8.900 -10.161 10.380 1.00 0.00 C ATOM 1595 C TYR A 878 8.783 -10.055 8.865 1.00 0.00 C ATOM 1596 O TYR A 878 7.687 -9.872 8.336 1.00 0.00 O ATOM 1597 CB TYR A 878 9.139 -8.788 11.001 1.00 0.00 C ATOM 1598 CG TYR A 878 8.142 -8.463 12.086 1.00 0.00 C ATOM 1599 CD1 TYR A 878 8.091 -9.217 13.249 1.00 0.00 C ATOM 1600 CD2 TYR A 878 7.244 -7.417 11.941 1.00 0.00 C ATOM 1601 CE1 TYR A 878 7.175 -8.938 14.242 1.00 0.00 C ATOM 1602 CE2 TYR A 878 6.320 -7.130 12.929 1.00 0.00 C ATOM 1603 CZ TYR A 878 6.291 -7.894 14.079 1.00 0.00 C ATOM 1604 OH TYR A 878 5.370 -7.617 15.067 1.00 0.00 O ATOM 0 H TYR A 878 10.769 -10.661 11.191 1.00 0.00 H new ATOM 0 HA TYR A 878 7.955 -10.549 10.759 1.00 0.00 H new ATOM 0 HB2 TYR A 878 10.147 -8.750 11.415 1.00 0.00 H new ATOM 0 HB3 TYR A 878 9.085 -8.027 10.223 1.00 0.00 H new ATOM 0 HD1 TYR A 878 8.781 -10.038 13.380 1.00 0.00 H new ATOM 0 HD2 TYR A 878 7.266 -6.817 11.043 1.00 0.00 H new ATOM 0 HE1 TYR A 878 7.151 -9.535 15.142 1.00 0.00 H new ATOM 0 HE2 TYR A 878 5.625 -6.313 12.802 1.00 0.00 H new ATOM 0 HH TYR A 878 4.822 -6.850 14.798 1.00 0.00 H new ATOM 1614 N ILE A 879 9.905 -10.178 8.164 1.00 0.00 N ATOM 1615 CA ILE A 879 9.870 -10.240 6.707 1.00 0.00 C ATOM 1616 C ILE A 879 9.071 -11.466 6.276 1.00 0.00 C ATOM 1617 O ILE A 879 8.255 -11.403 5.356 1.00 0.00 O ATOM 1618 CB ILE A 879 11.290 -10.299 6.091 1.00 0.00 C ATOM 1619 CG1 ILE A 879 12.048 -8.996 6.362 1.00 0.00 C ATOM 1620 CG2 ILE A 879 11.221 -10.563 4.589 1.00 0.00 C ATOM 1621 CD1 ILE A 879 13.524 -9.077 6.037 1.00 0.00 C ATOM 0 H ILE A 879 10.837 -10.236 8.573 1.00 0.00 H new ATOM 0 HA ILE A 879 9.395 -9.329 6.344 1.00 0.00 H new ATOM 0 HB ILE A 879 11.827 -11.122 6.562 1.00 0.00 H new ATOM 0 HG12 ILE A 879 11.598 -8.195 5.775 1.00 0.00 H new ATOM 0 HG13 ILE A 879 11.929 -8.728 7.412 1.00 0.00 H new ATOM 0 HG21 ILE A 879 12.230 -10.600 4.179 1.00 0.00 H new ATOM 0 HG22 ILE A 879 10.721 -11.515 4.409 1.00 0.00 H new ATOM 0 HG23 ILE A 879 10.662 -9.763 4.104 1.00 0.00 H new ATOM 0 HD11 ILE A 879 13.997 -8.119 6.253 1.00 0.00 H new ATOM 0 HD12 ILE A 879 13.988 -9.856 6.643 1.00 0.00 H new ATOM 0 HD13 ILE A 879 13.652 -9.315 4.981 1.00 0.00 H new ATOM 1633 N SER A 880 9.289 -12.572 6.982 1.00 0.00 N ATOM 1634 CA SER A 880 8.555 -13.802 6.726 1.00 0.00 C ATOM 1635 C SER A 880 7.074 -13.627 7.047 1.00 0.00 C ATOM 1636 O SER A 880 6.225 -14.229 6.401 1.00 0.00 O ATOM 1637 CB SER A 880 9.131 -14.953 7.553 1.00 0.00 C ATOM 1638 OG SER A 880 10.545 -15.016 7.440 1.00 0.00 O ATOM 0 H SER A 880 9.971 -12.639 7.738 1.00 0.00 H new ATOM 0 HA SER A 880 8.658 -14.039 5.667 1.00 0.00 H new ATOM 0 HB2 SER A 880 8.854 -14.825 8.599 1.00 0.00 H new ATOM 0 HB3 SER A 880 8.696 -15.895 7.220 1.00 0.00 H new ATOM 0 HG SER A 880 10.953 -14.442 8.121 1.00 0.00 H new ATOM 1644 N ASP A 881 6.774 -12.792 8.036 1.00 0.00 N ATOM 1645 CA ASP A 881 5.392 -12.541 8.446 1.00 0.00 C ATOM 1646 C ASP A 881 4.638 -11.779 7.367 1.00 0.00 C ATOM 1647 O ASP A 881 3.465 -12.043 7.111 1.00 0.00 O ATOM 1648 CB ASP A 881 5.357 -11.757 9.761 1.00 0.00 C ATOM 1649 CG ASP A 881 4.697 -12.525 10.889 1.00 0.00 C ATOM 1650 OD1 ASP A 881 4.038 -13.552 10.615 1.00 0.00 O ATOM 1651 OD2 ASP A 881 4.838 -12.112 12.060 1.00 0.00 O ATOM 0 H ASP A 881 7.471 -12.274 8.572 1.00 0.00 H new ATOM 0 HA ASP A 881 4.904 -13.504 8.596 1.00 0.00 H new ATOM 0 HB2 ASP A 881 6.375 -11.499 10.051 1.00 0.00 H new ATOM 0 HB3 ASP A 881 4.823 -10.820 9.605 1.00 0.00 H new ATOM 1656 N ILE A 882 5.313 -10.835 6.727 1.00 0.00 N ATOM 1657 CA ILE A 882 4.726 -10.115 5.603 1.00 0.00 C ATOM 1658 C ILE A 882 4.611 -11.043 4.395 1.00 0.00 C ATOM 1659 O ILE A 882 3.655 -10.971 3.624 1.00 0.00 O ATOM 1660 CB ILE A 882 5.551 -8.864 5.222 1.00 0.00 C ATOM 1661 CG1 ILE A 882 5.682 -7.932 6.429 1.00 0.00 C ATOM 1662 CG2 ILE A 882 4.907 -8.133 4.049 1.00 0.00 C ATOM 1663 CD1 ILE A 882 6.497 -6.687 6.153 1.00 0.00 C ATOM 0 H ILE A 882 6.263 -10.550 6.964 1.00 0.00 H new ATOM 0 HA ILE A 882 3.735 -9.779 5.909 1.00 0.00 H new ATOM 0 HB ILE A 882 6.548 -9.184 4.918 1.00 0.00 H new ATOM 0 HG12 ILE A 882 4.686 -7.637 6.759 1.00 0.00 H new ATOM 0 HG13 ILE A 882 6.141 -8.480 7.252 1.00 0.00 H new ATOM 0 HG21 ILE A 882 5.502 -7.256 3.796 1.00 0.00 H new ATOM 0 HG22 ILE A 882 4.858 -8.799 3.188 1.00 0.00 H new ATOM 0 HG23 ILE A 882 3.899 -7.821 4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 882 6.545 -6.076 7.055 1.00 0.00 H new ATOM 0 HD12 ILE A 882 7.506 -6.971 5.853 1.00 0.00 H new ATOM 0 HD13 ILE A 882 6.028 -6.115 5.352 1.00 0.00 H new ATOM 1675 N ASP A 883 5.577 -11.942 4.272 1.00 0.00 N ATOM 1676 CA ASP A 883 5.648 -12.863 3.144 1.00 0.00 C ATOM 1677 C ASP A 883 4.538 -13.890 3.255 1.00 0.00 C ATOM 1678 O ASP A 883 3.830 -14.174 2.289 1.00 0.00 O ATOM 1679 CB ASP A 883 7.019 -13.540 3.132 1.00 0.00 C ATOM 1680 CG ASP A 883 7.051 -14.854 2.374 1.00 0.00 C ATOM 1681 OD1 ASP A 883 7.098 -14.835 1.129 1.00 0.00 O ATOM 1682 OD2 ASP A 883 7.058 -15.918 3.027 1.00 0.00 O ATOM 0 H ASP A 883 6.332 -12.054 4.948 1.00 0.00 H new ATOM 0 HA ASP A 883 5.519 -12.319 2.209 1.00 0.00 H new ATOM 0 HB2 ASP A 883 7.745 -12.859 2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 883 7.334 -13.718 4.160 1.00 0.00 H new ATOM 1687 N SER A 884 4.380 -14.417 4.456 1.00 0.00 N ATOM 1688 CA SER A 884 3.314 -15.348 4.757 1.00 0.00 C ATOM 1689 C SER A 884 1.958 -14.668 4.575 1.00 0.00 C ATOM 1690 O SER A 884 1.021 -15.256 4.029 1.00 0.00 O ATOM 1691 CB SER A 884 3.480 -15.856 6.189 1.00 0.00 C ATOM 1692 OG SER A 884 3.778 -14.798 7.076 1.00 0.00 O ATOM 0 H SER A 884 4.988 -14.210 5.248 1.00 0.00 H new ATOM 0 HA SER A 884 3.361 -16.196 4.073 1.00 0.00 H new ATOM 0 HB2 SER A 884 2.565 -16.355 6.509 1.00 0.00 H new ATOM 0 HB3 SER A 884 4.277 -16.599 6.224 1.00 0.00 H new ATOM 0 HG SER A 884 4.749 -14.731 7.191 1.00 0.00 H new ATOM 1698 N TYR A 885 1.891 -13.407 4.999 1.00 0.00 N ATOM 1699 CA TYR A 885 0.667 -12.611 4.907 1.00 0.00 C ATOM 1700 C TYR A 885 0.250 -12.474 3.460 1.00 0.00 C ATOM 1701 O TYR A 885 -0.855 -12.854 3.053 1.00 0.00 O ATOM 1702 CB TYR A 885 0.918 -11.208 5.459 1.00 0.00 C ATOM 1703 CG TYR A 885 -0.287 -10.566 6.114 1.00 0.00 C ATOM 1704 CD1 TYR A 885 -1.187 -11.311 6.863 1.00 0.00 C ATOM 1705 CD2 TYR A 885 -0.523 -9.205 5.970 1.00 0.00 C ATOM 1706 CE1 TYR A 885 -2.290 -10.719 7.451 1.00 0.00 C ATOM 1707 CE2 TYR A 885 -1.620 -8.604 6.555 1.00 0.00 C ATOM 1708 CZ TYR A 885 -2.501 -9.365 7.294 1.00 0.00 C ATOM 1709 OH TYR A 885 -3.599 -8.771 7.877 1.00 0.00 O ATOM 0 H TYR A 885 2.679 -12.910 5.414 1.00 0.00 H new ATOM 0 HA TYR A 885 -0.113 -13.111 5.481 1.00 0.00 H new ATOM 0 HB2 TYR A 885 1.728 -11.257 6.187 1.00 0.00 H new ATOM 0 HB3 TYR A 885 1.258 -10.567 4.646 1.00 0.00 H new ATOM 0 HD1 TYR A 885 -1.023 -12.371 6.989 1.00 0.00 H new ATOM 0 HD2 TYR A 885 0.164 -8.606 5.390 1.00 0.00 H new ATOM 0 HE1 TYR A 885 -2.982 -11.313 8.030 1.00 0.00 H new ATOM 0 HE2 TYR A 885 -1.787 -7.544 6.434 1.00 0.00 H new ATOM 0 HH TYR A 885 -3.837 -9.255 8.695 1.00 0.00 H new ATOM 1719 N VAL A 886 1.175 -11.934 2.696 1.00 0.00 N ATOM 1720 CA VAL A 886 0.984 -11.663 1.296 1.00 0.00 C ATOM 1721 C VAL A 886 0.685 -12.950 0.533 1.00 0.00 C ATOM 1722 O VAL A 886 -0.140 -12.956 -0.373 1.00 0.00 O ATOM 1723 CB VAL A 886 2.239 -10.946 0.754 1.00 0.00 C ATOM 1724 CG1 VAL A 886 2.558 -11.333 -0.683 1.00 0.00 C ATOM 1725 CG2 VAL A 886 2.074 -9.443 0.882 1.00 0.00 C ATOM 0 H VAL A 886 2.097 -11.668 3.042 1.00 0.00 H new ATOM 0 HA VAL A 886 0.122 -11.011 1.156 1.00 0.00 H new ATOM 0 HB VAL A 886 3.086 -11.269 1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 886 3.449 -10.800 -1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 886 2.735 -12.407 -0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 886 1.718 -11.069 -1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 886 2.964 -8.945 0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 886 1.203 -9.123 0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 886 1.936 -9.180 1.931 1.00 0.00 H new ATOM 1735 N LYS A 887 1.324 -14.046 0.936 1.00 0.00 N ATOM 1736 CA LYS A 887 1.080 -15.347 0.325 1.00 0.00 C ATOM 1737 C LYS A 887 -0.388 -15.754 0.445 1.00 0.00 C ATOM 1738 O LYS A 887 -1.003 -16.173 -0.539 1.00 0.00 O ATOM 1739 CB LYS A 887 1.968 -16.411 0.968 1.00 0.00 C ATOM 1740 CG LYS A 887 2.941 -17.051 -0.003 1.00 0.00 C ATOM 1741 CD LYS A 887 4.380 -16.846 0.432 1.00 0.00 C ATOM 1742 CE LYS A 887 4.786 -17.836 1.511 1.00 0.00 C ATOM 1743 NZ LYS A 887 6.263 -17.968 1.605 1.00 0.00 N ATOM 0 H LYS A 887 2.016 -14.057 1.685 1.00 0.00 H new ATOM 0 HA LYS A 887 1.325 -15.266 -0.734 1.00 0.00 H new ATOM 0 HB2 LYS A 887 2.528 -15.960 1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 887 1.337 -17.186 1.402 1.00 0.00 H new ATOM 0 HG2 LYS A 887 2.732 -18.118 -0.079 1.00 0.00 H new ATOM 0 HG3 LYS A 887 2.797 -16.627 -0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 887 5.040 -16.955 -0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 887 4.507 -15.829 0.804 1.00 0.00 H new ATOM 0 HE2 LYS A 887 4.387 -17.511 2.472 1.00 0.00 H new ATOM 0 HE3 LYS A 887 4.346 -18.810 1.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 887 6.509 -18.946 1.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 887 6.692 -17.731 0.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 887 6.624 -17.320 2.334 1.00 0.00 H new ATOM 1757 N SER A 888 -0.951 -15.624 1.642 1.00 0.00 N ATOM 1758 CA SER A 888 -2.350 -15.972 1.861 1.00 0.00 C ATOM 1759 C SER A 888 -3.279 -15.016 1.115 1.00 0.00 C ATOM 1760 O SER A 888 -4.382 -15.388 0.717 1.00 0.00 O ATOM 1761 CB SER A 888 -2.674 -15.946 3.355 1.00 0.00 C ATOM 1762 OG SER A 888 -1.647 -15.304 4.090 1.00 0.00 O ATOM 0 H SER A 888 -0.464 -15.282 2.470 1.00 0.00 H new ATOM 0 HA SER A 888 -2.509 -16.979 1.474 1.00 0.00 H new ATOM 0 HB2 SER A 888 -3.619 -15.427 3.516 1.00 0.00 H new ATOM 0 HB3 SER A 888 -2.804 -16.965 3.720 1.00 0.00 H new ATOM 0 HG SER A 888 -1.512 -14.398 3.741 1.00 0.00 H new ATOM 1768 N LEU A 889 -2.828 -13.783 0.933 1.00 0.00 N ATOM 1769 CA LEU A 889 -3.637 -12.764 0.275 1.00 0.00 C ATOM 1770 C LEU A 889 -3.486 -12.804 -1.245 1.00 0.00 C ATOM 1771 O LEU A 889 -4.308 -12.236 -1.967 1.00 0.00 O ATOM 1772 CB LEU A 889 -3.256 -11.381 0.801 1.00 0.00 C ATOM 1773 CG LEU A 889 -4.243 -10.773 1.800 1.00 0.00 C ATOM 1774 CD1 LEU A 889 -3.855 -11.129 3.228 1.00 0.00 C ATOM 1775 CD2 LEU A 889 -4.312 -9.263 1.624 1.00 0.00 C ATOM 0 H LEU A 889 -1.907 -13.463 1.231 1.00 0.00 H new ATOM 0 HA LEU A 889 -4.682 -12.972 0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 889 -2.277 -11.447 1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 889 -3.155 -10.702 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 889 -5.231 -11.190 1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 889 -4.571 -10.686 3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 889 -3.858 -12.213 3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 889 -2.858 -10.744 3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 889 -5.018 -8.845 2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 889 -3.325 -8.832 1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 889 -4.642 -9.029 0.612 1.00 0.00 H new ATOM 1787 N LEU A 890 -2.445 -13.478 -1.723 1.00 0.00 N ATOM 1788 CA LEU A 890 -2.146 -13.533 -3.151 1.00 0.00 C ATOM 1789 C LEU A 890 -3.254 -14.239 -3.918 1.00 0.00 C ATOM 1790 O LEU A 890 -3.793 -15.242 -3.403 1.00 0.00 O ATOM 1791 CB LEU A 890 -0.816 -14.252 -3.394 1.00 0.00 C ATOM 1792 CG LEU A 890 0.429 -13.370 -3.309 1.00 0.00 C ATOM 1793 CD1 LEU A 890 1.678 -14.175 -3.622 1.00 0.00 C ATOM 1794 CD2 LEU A 890 0.306 -12.183 -4.252 1.00 0.00 C ATOM 1795 OXT LEU A 890 -3.581 -13.798 -5.037 1.00 0.00 O ATOM 0 H LEU A 890 -1.790 -13.997 -1.138 1.00 0.00 H new ATOM 0 HA LEU A 890 -2.072 -12.507 -3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -0.720 -15.058 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -0.847 -14.714 -4.381 1.00 0.00 H new ATOM 0 HG LEU A 890 0.513 -12.992 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 890 2.553 -13.529 -3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 890 1.774 -14.991 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 890 1.604 -14.584 -4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 890 1.201 -11.566 -4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 890 0.195 -12.541 -5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -0.567 -11.590 -3.979 1.00 0.00 H new TER 1807 LEU A 890