USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 697 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 NoAdj-H: A 890 HIS H : A 890 HIS N : A 855 ARG O :(H bumps) USER MOD NoAdj-H: A 913 ILE H : A 913 ILE N : A 850 ILE CG2 :(H bumps) USER MOD Single : A 836 SER OG : rot 180:sc= -0.0421 USER MOD Single : A 840 THR OG1 : rot 180:sc= -0.747! USER MOD Single : A 842 CYS SG : rot 2:sc= 0.832 USER MOD Single : A 843 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 844 THR OG1 : rot 180:sc= 0 USER MOD Single : A 845 LYS NZ :NH3+ 174:sc= -6.2! (180deg=-6.7!) USER MOD Single : A 852 THR OG1 : rot 180:sc= 0 USER MOD Single : A 857 TYR OH : rot 180:sc= -0.112 USER MOD Single : A 861 SER OG : rot 180:sc= 0 USER MOD Single : A 862 THR OG1 : rot -100:sc= -2.12! USER MOD Single : A 866 SER OG : rot 180:sc= -0.164 USER MOD Single : A 871 TYR OH : rot 116:sc= -34.1! USER MOD Single : A 881 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 885 MET CE :methyl 142:sc= -17.1! (180deg=-25.2!) USER MOD Single : A 886 THR OG1 : rot 180:sc= -0.598 USER MOD Single : A 887 SER OG : rot 180:sc= 0 USER MOD Single : A 889 THR OG1 : rot -160:sc= -0.0116 USER MOD Single : A 890 HIS : no HD1:sc= -18.1! C(o=-18!,f=-21!) USER MOD Single : A 894 SER OG : rot 180:sc= 0 USER MOD Single : A 897 LYS NZ :NH3+ 149:sc= -18.6! (180deg=-20!) USER MOD Single : A 898 ASN : amide:sc= -18.7! C(o=-19!,f=-19!) USER MOD Single : A 902 GLN : amide:sc= -2.45! K(o=-2.5!,f=-1) USER MOD Single : A 903 GLN : amide:sc= -12.1! C(o=-12!,f=-18!) USER MOD Single : A 905 SER OG : rot 180:sc= -3.08! USER MOD Single : A 912 CYS SG : rot -179:sc= -11! USER MOD Single : A 915 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00182) USER MOD Single : A 922 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 835 -7.659 0.301 11.471 1.00 0.00 N ATOM 2 CA GLY A 835 -7.762 -0.805 10.540 1.00 0.00 C ATOM 3 C GLY A 835 -8.767 -0.480 9.444 1.00 0.00 C ATOM 4 O GLY A 835 -8.404 0.081 8.412 1.00 0.00 O ATOM 0 HA2 GLY A 835 -6.786 -1.010 10.099 1.00 0.00 H new ATOM 0 HA3 GLY A 835 -8.069 -1.707 11.069 1.00 0.00 H new ATOM 8 N SER A 836 -10.034 -0.835 9.670 1.00 0.00 N ATOM 9 CA SER A 836 -11.082 -0.579 8.703 1.00 0.00 C ATOM 10 C SER A 836 -10.925 -1.512 7.511 1.00 0.00 C ATOM 11 O SER A 836 -11.542 -1.302 6.469 1.00 0.00 O ATOM 12 CB SER A 836 -11.019 0.880 8.260 1.00 0.00 C ATOM 13 OG SER A 836 -12.163 1.561 8.724 1.00 0.00 O ATOM 0 H SER A 836 -10.351 -1.302 10.520 1.00 0.00 H new ATOM 0 HA SER A 836 -12.055 -0.765 9.158 1.00 0.00 H new ATOM 0 HB2 SER A 836 -10.118 1.352 8.652 1.00 0.00 H new ATOM 0 HB3 SER A 836 -10.963 0.939 7.173 1.00 0.00 H new ATOM 0 HG SER A 836 -12.123 2.498 8.441 1.00 0.00 H new ATOM 19 N ALA A 837 -10.096 -2.547 7.667 1.00 0.00 N ATOM 20 CA ALA A 837 -9.862 -3.506 6.606 1.00 0.00 C ATOM 21 C ALA A 837 -11.191 -4.047 6.098 1.00 0.00 C ATOM 22 O ALA A 837 -11.360 -4.256 4.899 1.00 0.00 O ATOM 23 CB ALA A 837 -8.981 -4.637 7.129 1.00 0.00 C ATOM 0 H ALA A 837 -9.578 -2.735 8.525 1.00 0.00 H new ATOM 0 HA ALA A 837 -9.350 -3.019 5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -8.804 -5.359 6.332 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -8.028 -4.229 7.467 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -9.480 -5.132 7.962 1.00 0.00 H new ATOM 29 N ASP A 838 -12.134 -4.275 7.015 1.00 0.00 N ATOM 30 CA ASP A 838 -13.440 -4.791 6.655 1.00 0.00 C ATOM 31 C ASP A 838 -14.392 -3.637 6.380 1.00 0.00 C ATOM 32 O ASP A 838 -15.590 -3.846 6.208 1.00 0.00 O ATOM 33 CB ASP A 838 -13.967 -5.669 7.787 1.00 0.00 C ATOM 34 CG ASP A 838 -14.328 -4.830 9.004 1.00 0.00 C ATOM 35 OD1 ASP A 838 -13.381 -4.371 9.678 1.00 0.00 O ATOM 36 OD2 ASP A 838 -15.545 -4.663 9.237 1.00 0.00 O ATOM 0 H ASP A 838 -12.009 -4.107 8.013 1.00 0.00 H new ATOM 0 HA ASP A 838 -13.362 -5.394 5.750 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -14.844 -6.219 7.447 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -13.213 -6.408 8.060 1.00 0.00 H new ATOM 41 N GLU A 839 -13.856 -2.414 6.338 1.00 0.00 N ATOM 42 CA GLU A 839 -14.662 -1.237 6.082 1.00 0.00 C ATOM 43 C GLU A 839 -14.478 -0.785 4.641 1.00 0.00 C ATOM 44 O GLU A 839 -15.258 0.020 4.136 1.00 0.00 O ATOM 45 CB GLU A 839 -14.262 -0.129 7.052 1.00 0.00 C ATOM 46 CG GLU A 839 -15.111 -0.229 8.316 1.00 0.00 C ATOM 47 CD GLU A 839 -15.774 1.104 8.632 1.00 0.00 C ATOM 48 OE1 GLU A 839 -16.834 1.369 8.024 1.00 0.00 O ATOM 49 OE2 GLU A 839 -15.209 1.834 9.475 1.00 0.00 O ATOM 0 H GLU A 839 -12.864 -2.222 6.479 1.00 0.00 H new ATOM 0 HA GLU A 839 -15.715 -1.474 6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 839 -13.205 -0.215 7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 839 -14.400 0.846 6.584 1.00 0.00 H new ATOM 0 HG2 GLU A 839 -15.873 -0.997 8.187 1.00 0.00 H new ATOM 0 HG3 GLU A 839 -14.487 -0.537 9.155 1.00 0.00 H new ATOM 56 N THR A 840 -13.443 -1.305 3.977 1.00 0.00 N ATOM 57 CA THR A 840 -13.167 -0.952 2.599 1.00 0.00 C ATOM 58 C THR A 840 -12.977 -2.213 1.768 1.00 0.00 C ATOM 59 O THR A 840 -13.853 -2.585 0.990 1.00 0.00 O ATOM 60 CB THR A 840 -11.921 -0.073 2.540 1.00 0.00 C ATOM 61 OG1 THR A 840 -10.941 -0.701 1.745 1.00 0.00 O ATOM 62 CG2 THR A 840 -11.377 0.133 3.951 1.00 0.00 C ATOM 0 H THR A 840 -12.786 -1.973 4.380 1.00 0.00 H new ATOM 0 HA THR A 840 -14.009 -0.396 2.188 1.00 0.00 H new ATOM 0 HB THR A 840 -12.177 0.893 2.105 1.00 0.00 H new ATOM 0 HG1 THR A 840 -10.141 -0.136 1.705 1.00 0.00 H new ATOM 0 HG21 THR A 840 -10.487 0.761 3.910 1.00 0.00 H new ATOM 0 HG22 THR A 840 -12.135 0.618 4.566 1.00 0.00 H new ATOM 0 HG23 THR A 840 -11.120 -0.833 4.386 1.00 0.00 H new ATOM 70 N LEU A 841 -11.828 -2.872 1.936 1.00 0.00 N ATOM 71 CA LEU A 841 -11.528 -4.086 1.204 1.00 0.00 C ATOM 72 C LEU A 841 -12.610 -5.125 1.462 1.00 0.00 C ATOM 73 O LEU A 841 -12.724 -6.102 0.724 1.00 0.00 O ATOM 74 CB LEU A 841 -10.161 -4.612 1.631 1.00 0.00 C ATOM 75 CG LEU A 841 -10.033 -6.079 1.230 1.00 0.00 C ATOM 76 CD1 LEU A 841 -10.187 -6.960 2.465 1.00 0.00 C ATOM 77 CD2 LEU A 841 -11.120 -6.426 0.217 1.00 0.00 C ATOM 0 H LEU A 841 -11.092 -2.576 2.578 1.00 0.00 H new ATOM 0 HA LEU A 841 -11.503 -3.874 0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 841 -9.371 -4.025 1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 841 -10.039 -4.507 2.709 1.00 0.00 H new ATOM 0 HG LEU A 841 -9.053 -6.249 0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 841 -10.096 -8.008 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 841 -9.410 -6.712 3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 841 -11.166 -6.791 2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 841 -11.029 -7.474 -0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 841 -12.100 -6.255 0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 841 -11.008 -5.797 -0.666 1.00 0.00 H new ATOM 89 N CYS A 842 -13.406 -4.911 2.512 1.00 0.00 N ATOM 90 CA CYS A 842 -14.475 -5.824 2.865 1.00 0.00 C ATOM 91 C CYS A 842 -15.303 -6.142 1.629 1.00 0.00 C ATOM 92 O CYS A 842 -16.119 -7.060 1.647 1.00 0.00 O ATOM 93 CB CYS A 842 -15.342 -5.194 3.952 1.00 0.00 C ATOM 94 SG CYS A 842 -17.014 -5.877 3.829 1.00 0.00 S ATOM 0 H CYS A 842 -13.322 -4.105 3.131 1.00 0.00 H new ATOM 0 HA CYS A 842 -14.057 -6.754 3.249 1.00 0.00 H new ATOM 0 HB2 CYS A 842 -14.922 -5.399 4.937 1.00 0.00 H new ATOM 0 HB3 CYS A 842 -15.367 -4.111 3.835 1.00 0.00 H new ATOM 0 HG CYS A 842 -17.053 -6.761 2.876 1.00 0.00 H new ATOM 100 N GLN A 843 -15.092 -5.380 0.553 1.00 0.00 N ATOM 101 CA GLN A 843 -15.821 -5.585 -0.683 1.00 0.00 C ATOM 102 C GLN A 843 -14.956 -6.356 -1.671 1.00 0.00 C ATOM 103 O GLN A 843 -14.711 -5.888 -2.781 1.00 0.00 O ATOM 104 CB GLN A 843 -16.228 -4.233 -1.262 1.00 0.00 C ATOM 105 CG GLN A 843 -16.404 -3.226 -0.129 1.00 0.00 C ATOM 106 CD GLN A 843 -17.859 -2.797 -0.005 1.00 0.00 C ATOM 107 OE1 GLN A 843 -18.248 -1.755 -0.527 1.00 0.00 O ATOM 108 NE2 GLN A 843 -18.664 -3.605 0.691 1.00 0.00 N ATOM 0 H GLN A 843 -14.418 -4.615 0.522 1.00 0.00 H new ATOM 0 HA GLN A 843 -16.721 -6.168 -0.487 1.00 0.00 H new ATOM 0 HB2 GLN A 843 -15.469 -3.881 -1.961 1.00 0.00 H new ATOM 0 HB3 GLN A 843 -17.157 -4.331 -1.823 1.00 0.00 H new ATOM 0 HG2 GLN A 843 -16.069 -3.667 0.810 1.00 0.00 H new ATOM 0 HG3 GLN A 843 -15.778 -2.353 -0.312 1.00 0.00 H new ATOM 0 HE21 GLN A 843 -18.294 -4.460 1.106 1.00 0.00 H new ATOM 0 HE22 GLN A 843 -19.649 -3.367 0.807 1.00 0.00 H new ATOM 117 N THR A 844 -14.494 -7.541 -1.265 1.00 0.00 N ATOM 118 CA THR A 844 -13.662 -8.365 -2.118 1.00 0.00 C ATOM 119 C THR A 844 -12.253 -7.794 -2.178 1.00 0.00 C ATOM 120 O THR A 844 -11.336 -8.330 -1.559 1.00 0.00 O ATOM 121 CB THR A 844 -14.277 -8.435 -3.513 1.00 0.00 C ATOM 122 OG1 THR A 844 -14.609 -9.771 -3.814 1.00 0.00 O ATOM 123 CG2 THR A 844 -13.272 -7.917 -4.538 1.00 0.00 C ATOM 0 H THR A 844 -14.687 -7.944 -0.348 1.00 0.00 H new ATOM 0 HA THR A 844 -13.605 -9.374 -1.709 1.00 0.00 H new ATOM 0 HB THR A 844 -15.177 -7.821 -3.544 1.00 0.00 H new ATOM 0 HG1 THR A 844 -15.006 -9.816 -4.709 1.00 0.00 H new ATOM 0 HG21 THR A 844 -13.710 -7.967 -5.535 1.00 0.00 H new ATOM 0 HG22 THR A 844 -13.015 -6.883 -4.306 1.00 0.00 H new ATOM 0 HG23 THR A 844 -12.372 -8.530 -4.507 1.00 0.00 H new ATOM 131 N LYS A 845 -12.081 -6.702 -2.926 1.00 0.00 N ATOM 132 CA LYS A 845 -10.787 -6.065 -3.061 1.00 0.00 C ATOM 133 C LYS A 845 -10.966 -4.571 -3.290 1.00 0.00 C ATOM 134 O LYS A 845 -10.015 -3.802 -3.164 1.00 0.00 O ATOM 135 CB LYS A 845 -10.027 -6.702 -4.221 1.00 0.00 C ATOM 136 CG LYS A 845 -8.645 -7.140 -3.744 1.00 0.00 C ATOM 137 CD LYS A 845 -8.795 -8.168 -2.626 1.00 0.00 C ATOM 138 CE LYS A 845 -8.468 -7.516 -1.286 1.00 0.00 C ATOM 139 NZ LYS A 845 -8.684 -8.455 -0.175 1.00 0.00 N ATOM 0 H LYS A 845 -12.830 -6.246 -3.446 1.00 0.00 H new ATOM 0 HA LYS A 845 -10.212 -6.204 -2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 845 -10.580 -7.560 -4.605 1.00 0.00 H new ATOM 0 HB3 LYS A 845 -9.932 -5.991 -5.042 1.00 0.00 H new ATOM 0 HG2 LYS A 845 -8.081 -7.568 -4.573 1.00 0.00 H new ATOM 0 HG3 LYS A 845 -8.082 -6.278 -3.387 1.00 0.00 H new ATOM 0 HD2 LYS A 845 -9.812 -8.560 -2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 845 -8.130 -9.013 -2.803 1.00 0.00 H new ATOM 0 HE2 LYS A 845 -7.431 -7.179 -1.285 1.00 0.00 H new ATOM 0 HE3 LYS A 845 -9.091 -6.632 -1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 -8.359 -8.023 0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 -9.697 -8.678 -0.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 -8.149 -9.329 -0.350 1.00 0.00 H new ATOM 153 N VAL A 846 -12.191 -4.160 -3.628 1.00 0.00 N ATOM 154 CA VAL A 846 -12.489 -2.764 -3.873 1.00 0.00 C ATOM 155 C VAL A 846 -11.321 -2.107 -4.594 1.00 0.00 C ATOM 156 O VAL A 846 -11.487 -1.569 -5.687 1.00 0.00 O ATOM 157 CB VAL A 846 -12.769 -2.064 -2.546 1.00 0.00 C ATOM 158 CG1 VAL A 846 -13.356 -3.066 -1.556 1.00 0.00 C ATOM 159 CG2 VAL A 846 -11.467 -1.499 -1.986 1.00 0.00 C ATOM 0 H VAL A 846 -12.990 -4.785 -3.736 1.00 0.00 H new ATOM 0 HA VAL A 846 -13.373 -2.682 -4.505 1.00 0.00 H new ATOM 0 HB VAL A 846 -13.479 -1.253 -2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -13.556 -2.566 -0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -14.286 -3.471 -1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -12.646 -3.878 -1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -11.665 -0.999 -1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -10.757 -2.311 -1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -11.047 -0.784 -2.693 1.00 0.00 H new ATOM 169 N LEU A 847 -10.136 -2.151 -3.980 1.00 0.00 N ATOM 170 CA LEU A 847 -8.949 -1.562 -4.565 1.00 0.00 C ATOM 171 C LEU A 847 -9.123 -0.055 -4.680 1.00 0.00 C ATOM 172 O LEU A 847 -8.647 0.694 -3.829 1.00 0.00 O ATOM 173 CB LEU A 847 -8.696 -2.183 -5.936 1.00 0.00 C ATOM 174 CG LEU A 847 -8.940 -3.688 -5.865 1.00 0.00 C ATOM 175 CD1 LEU A 847 -8.104 -4.287 -4.738 1.00 0.00 C ATOM 176 CD2 LEU A 847 -10.419 -3.951 -5.598 1.00 0.00 C ATOM 0 H LEU A 847 -9.982 -2.593 -3.074 1.00 0.00 H new ATOM 0 HA LEU A 847 -8.088 -1.760 -3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 847 -9.354 -1.732 -6.679 1.00 0.00 H new ATOM 0 HB3 LEU A 847 -7.673 -1.984 -6.254 1.00 0.00 H new ATOM 0 HG LEU A 847 -8.655 -4.148 -6.811 1.00 0.00 H new ATOM 0 HD11 LEU A 847 -8.278 -5.362 -4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 847 -7.047 -4.099 -4.929 1.00 0.00 H new ATOM 0 HD13 LEU A 847 -8.388 -3.828 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 847 -10.594 -5.026 -5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 847 -10.705 -3.492 -4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 847 -11.016 -3.524 -6.404 1.00 0.00 H new ATOM 188 N LEU A 848 -9.808 0.390 -5.736 1.00 0.00 N ATOM 189 CA LEU A 848 -10.041 1.803 -5.957 1.00 0.00 C ATOM 190 C LEU A 848 -8.741 2.485 -6.358 1.00 0.00 C ATOM 191 O LEU A 848 -7.664 1.912 -6.206 1.00 0.00 O ATOM 192 CB LEU A 848 -10.610 2.429 -4.687 1.00 0.00 C ATOM 193 CG LEU A 848 -12.108 2.662 -4.862 1.00 0.00 C ATOM 194 CD1 LEU A 848 -12.754 2.870 -3.495 1.00 0.00 C ATOM 195 CD2 LEU A 848 -12.332 3.902 -5.724 1.00 0.00 C ATOM 0 H LEU A 848 -10.209 -0.218 -6.450 1.00 0.00 H new ATOM 0 HA LEU A 848 -10.761 1.934 -6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 848 -10.430 1.775 -3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 848 -10.106 3.373 -4.477 1.00 0.00 H new ATOM 0 HG LEU A 848 -12.556 1.795 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 848 -13.824 3.036 -3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 848 -12.594 1.985 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 848 -12.306 3.737 -3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 848 -13.402 4.069 -5.850 1.00 0.00 H new ATOM 0 HD22 LEU A 848 -11.884 4.769 -5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 848 -11.871 3.754 -6.700 1.00 0.00 H new ATOM 207 N ASP A 849 -8.843 3.713 -6.871 1.00 0.00 N ATOM 208 CA ASP A 849 -7.678 4.466 -7.291 1.00 0.00 C ATOM 209 C ASP A 849 -7.004 5.091 -6.079 1.00 0.00 C ATOM 210 O ASP A 849 -6.812 6.304 -6.030 1.00 0.00 O ATOM 211 CB ASP A 849 -8.100 5.540 -8.290 1.00 0.00 C ATOM 212 CG ASP A 849 -8.759 4.917 -9.512 1.00 0.00 C ATOM 213 OD1 ASP A 849 -9.311 3.807 -9.355 1.00 0.00 O ATOM 214 OD2 ASP A 849 -8.698 5.563 -10.581 1.00 0.00 O ATOM 0 H ASP A 849 -9.729 4.202 -7.003 1.00 0.00 H new ATOM 0 HA ASP A 849 -6.964 3.799 -7.775 1.00 0.00 H new ATOM 0 HB2 ASP A 849 -8.792 6.234 -7.813 1.00 0.00 H new ATOM 0 HB3 ASP A 849 -7.229 6.119 -8.597 1.00 0.00 H new ATOM 219 N ILE A 850 -6.646 4.259 -5.097 1.00 0.00 N ATOM 220 CA ILE A 850 -5.995 4.732 -3.892 1.00 0.00 C ATOM 221 C ILE A 850 -4.519 4.982 -4.167 1.00 0.00 C ATOM 222 O ILE A 850 -4.143 6.065 -4.609 1.00 0.00 O ATOM 223 CB ILE A 850 -6.172 3.700 -2.781 1.00 0.00 C ATOM 224 CG1 ILE A 850 -7.305 2.746 -3.148 1.00 0.00 C ATOM 225 CG2 ILE A 850 -6.510 4.413 -1.475 1.00 0.00 C ATOM 226 CD1 ILE A 850 -8.647 3.420 -2.875 1.00 0.00 C ATOM 0 H ILE A 850 -6.801 3.251 -5.122 1.00 0.00 H new ATOM 0 HA ILE A 850 -6.448 5.671 -3.573 1.00 0.00 H new ATOM 0 HB ILE A 850 -5.248 3.135 -2.659 1.00 0.00 H new ATOM 0 HG12 ILE A 850 -7.233 2.467 -4.199 1.00 0.00 H new ATOM 0 HG13 ILE A 850 -7.223 1.827 -2.568 1.00 0.00 H new ATOM 0 HG21 ILE A 850 -6.637 3.677 -0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 850 -5.701 5.094 -1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 850 -7.434 4.977 -1.597 1.00 0.00 H new ATOM 0 HD11 ILE A 850 -9.456 2.739 -3.137 1.00 0.00 H new ATOM 0 HD12 ILE A 850 -8.717 3.677 -1.818 1.00 0.00 H new ATOM 0 HD13 ILE A 850 -8.727 4.327 -3.475 1.00 0.00 H new ATOM 238 N PHE A 851 -3.682 3.975 -3.905 1.00 0.00 N ATOM 239 CA PHE A 851 -2.255 4.093 -4.127 1.00 0.00 C ATOM 240 C PHE A 851 -1.983 4.399 -5.593 1.00 0.00 C ATOM 241 O PHE A 851 -1.015 3.902 -6.164 1.00 0.00 O ATOM 242 CB PHE A 851 -1.567 2.797 -3.708 1.00 0.00 C ATOM 243 CG PHE A 851 -2.145 2.186 -2.454 1.00 0.00 C ATOM 244 CD1 PHE A 851 -2.087 2.888 -1.243 1.00 0.00 C ATOM 245 CD2 PHE A 851 -2.737 0.918 -2.500 1.00 0.00 C ATOM 246 CE1 PHE A 851 -2.621 2.321 -0.080 1.00 0.00 C ATOM 247 CE2 PHE A 851 -3.271 0.352 -1.337 1.00 0.00 C ATOM 248 CZ PHE A 851 -3.213 1.053 -0.126 1.00 0.00 C ATOM 0 H PHE A 851 -3.978 3.070 -3.538 1.00 0.00 H new ATOM 0 HA PHE A 851 -1.857 4.911 -3.527 1.00 0.00 H new ATOM 0 HB2 PHE A 851 -1.642 2.076 -4.522 1.00 0.00 H new ATOM 0 HB3 PHE A 851 -0.506 2.992 -3.552 1.00 0.00 H new ATOM 0 HD1 PHE A 851 -1.631 3.866 -1.207 1.00 0.00 H new ATOM 0 HD2 PHE A 851 -2.782 0.377 -3.433 1.00 0.00 H new ATOM 0 HE1 PHE A 851 -2.576 2.862 0.854 1.00 0.00 H new ATOM 0 HE2 PHE A 851 -3.728 -0.626 -1.373 1.00 0.00 H new ATOM 0 HZ PHE A 851 -3.625 0.616 0.772 1.00 0.00 H new ATOM 258 N THR A 852 -2.841 5.219 -6.204 1.00 0.00 N ATOM 259 CA THR A 852 -2.686 5.584 -7.597 1.00 0.00 C ATOM 260 C THR A 852 -1.218 5.847 -7.904 1.00 0.00 C ATOM 261 O THR A 852 -0.678 6.884 -7.524 1.00 0.00 O ATOM 262 CB THR A 852 -3.530 6.820 -7.896 1.00 0.00 C ATOM 263 OG1 THR A 852 -4.187 6.652 -9.132 1.00 0.00 O ATOM 264 CG2 THR A 852 -2.628 8.049 -7.961 1.00 0.00 C ATOM 0 H THR A 852 -3.650 5.639 -5.746 1.00 0.00 H new ATOM 0 HA THR A 852 -3.027 4.765 -8.230 1.00 0.00 H new ATOM 0 HB THR A 852 -4.270 6.955 -7.107 1.00 0.00 H new ATOM 0 HG1 THR A 852 -4.731 7.445 -9.324 1.00 0.00 H new ATOM 0 HG21 THR A 852 -3.231 8.932 -8.175 1.00 0.00 H new ATOM 0 HG22 THR A 852 -2.120 8.179 -7.005 1.00 0.00 H new ATOM 0 HG23 THR A 852 -1.888 7.916 -8.750 1.00 0.00 H new ATOM 272 N GLY A 853 -0.573 4.904 -8.594 1.00 0.00 N ATOM 273 CA GLY A 853 0.826 5.042 -8.946 1.00 0.00 C ATOM 274 C GLY A 853 1.685 5.085 -7.689 1.00 0.00 C ATOM 275 O GLY A 853 2.870 5.404 -7.753 1.00 0.00 O ATOM 0 H GLY A 853 -1.005 4.038 -8.917 1.00 0.00 H new ATOM 0 HA2 GLY A 853 1.133 4.208 -9.577 1.00 0.00 H new ATOM 0 HA3 GLY A 853 0.974 5.952 -9.527 1.00 0.00 H new ATOM 279 N VAL A 854 1.082 4.761 -6.542 1.00 0.00 N ATOM 280 CA VAL A 854 1.790 4.763 -5.278 1.00 0.00 C ATOM 281 C VAL A 854 2.557 3.458 -5.115 1.00 0.00 C ATOM 282 O VAL A 854 1.968 2.426 -4.803 1.00 0.00 O ATOM 283 CB VAL A 854 0.794 4.952 -4.138 1.00 0.00 C ATOM 284 CG1 VAL A 854 1.413 4.457 -2.834 1.00 0.00 C ATOM 285 CG2 VAL A 854 0.446 6.432 -4.007 1.00 0.00 C ATOM 0 H VAL A 854 0.100 4.494 -6.473 1.00 0.00 H new ATOM 0 HA VAL A 854 2.504 5.586 -5.258 1.00 0.00 H new ATOM 0 HB VAL A 854 -0.112 4.383 -4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 854 0.702 4.592 -2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 854 1.661 3.400 -2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 854 2.319 5.025 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -0.266 6.568 -3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 854 1.351 7.001 -3.796 1.00 0.00 H new ATOM 0 HG23 VAL A 854 0.003 6.786 -4.938 1.00 0.00 H new ATOM 295 N ARG A 855 3.874 3.507 -5.328 1.00 0.00 N ATOM 296 CA ARG A 855 4.712 2.332 -5.205 1.00 0.00 C ATOM 297 C ARG A 855 5.244 2.225 -3.782 1.00 0.00 C ATOM 298 O ARG A 855 6.307 2.758 -3.473 1.00 0.00 O ATOM 299 CB ARG A 855 5.861 2.421 -6.205 1.00 0.00 C ATOM 300 CG ARG A 855 6.995 3.247 -5.605 1.00 0.00 C ATOM 301 CD ARG A 855 7.923 3.724 -6.720 1.00 0.00 C ATOM 302 NE ARG A 855 7.160 4.292 -7.831 1.00 0.00 N ATOM 303 CZ ARG A 855 7.742 4.868 -8.891 1.00 0.00 C ATOM 304 NH1 ARG A 855 9.078 4.939 -8.966 1.00 0.00 N ATOM 305 NH2 ARG A 855 6.988 5.373 -9.878 1.00 0.00 N ATOM 0 H ARG A 855 4.376 4.356 -5.587 1.00 0.00 H new ATOM 0 HA ARG A 855 4.126 1.439 -5.422 1.00 0.00 H new ATOM 0 HB2 ARG A 855 6.218 1.422 -6.455 1.00 0.00 H new ATOM 0 HB3 ARG A 855 5.515 2.878 -7.132 1.00 0.00 H new ATOM 0 HG2 ARG A 855 6.590 4.102 -5.064 1.00 0.00 H new ATOM 0 HG3 ARG A 855 7.553 2.649 -4.884 1.00 0.00 H new ATOM 0 HD2 ARG A 855 8.613 4.471 -6.329 1.00 0.00 H new ATOM 0 HD3 ARG A 855 8.526 2.890 -7.078 1.00 0.00 H new ATOM 0 HE ARG A 855 6.142 4.248 -7.797 1.00 0.00 H new ATOM 0 HH11 ARG A 855 9.652 4.554 -8.216 1.00 0.00 H new ATOM 0 HH12 ARG A 855 9.521 5.378 -9.773 1.00 0.00 H new ATOM 0 HH21 ARG A 855 5.971 5.319 -9.822 1.00 0.00 H new ATOM 0 HH22 ARG A 855 7.431 5.812 -10.685 1.00 0.00 H new ATOM 319 N LEU A 856 4.500 1.533 -2.916 1.00 0.00 N ATOM 320 CA LEU A 856 4.899 1.359 -1.534 1.00 0.00 C ATOM 321 C LEU A 856 5.424 -0.054 -1.321 1.00 0.00 C ATOM 322 O LEU A 856 4.841 -1.016 -1.817 1.00 0.00 O ATOM 323 CB LEU A 856 3.707 1.635 -0.622 1.00 0.00 C ATOM 324 CG LEU A 856 3.103 0.312 -0.159 1.00 0.00 C ATOM 325 CD1 LEU A 856 4.210 -0.594 0.372 1.00 0.00 C ATOM 326 CD2 LEU A 856 2.087 0.577 0.948 1.00 0.00 C ATOM 0 H LEU A 856 3.616 1.086 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 856 5.696 2.062 -1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 856 4.023 2.224 0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 856 2.958 2.223 -1.153 1.00 0.00 H new ATOM 0 HG LEU A 856 2.607 -0.175 -0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 856 3.779 -1.539 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 856 4.936 -0.783 -0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 856 4.707 -0.108 1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 856 1.655 -0.367 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 856 2.583 1.064 1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 856 1.296 1.224 0.569 1.00 0.00 H new ATOM 338 N TYR A 857 6.528 -0.178 -0.582 1.00 0.00 N ATOM 339 CA TYR A 857 7.123 -1.471 -0.310 1.00 0.00 C ATOM 340 C TYR A 857 6.305 -2.206 0.741 1.00 0.00 C ATOM 341 O TYR A 857 6.405 -1.908 1.929 1.00 0.00 O ATOM 342 CB TYR A 857 8.562 -1.278 0.162 1.00 0.00 C ATOM 343 CG TYR A 857 8.948 -2.186 1.304 1.00 0.00 C ATOM 344 CD1 TYR A 857 8.645 -3.552 1.246 1.00 0.00 C ATOM 345 CD2 TYR A 857 9.610 -1.664 2.422 1.00 0.00 C ATOM 346 CE1 TYR A 857 9.004 -4.395 2.305 1.00 0.00 C ATOM 347 CE2 TYR A 857 9.969 -2.506 3.480 1.00 0.00 C ATOM 348 CZ TYR A 857 9.666 -3.872 3.422 1.00 0.00 C ATOM 349 OH TYR A 857 10.016 -4.693 4.453 1.00 0.00 O ATOM 0 H TYR A 857 7.023 0.609 -0.164 1.00 0.00 H new ATOM 0 HA TYR A 857 7.129 -2.071 -1.220 1.00 0.00 H new ATOM 0 HB2 TYR A 857 9.237 -1.453 -0.675 1.00 0.00 H new ATOM 0 HB3 TYR A 857 8.699 -0.241 0.470 1.00 0.00 H new ATOM 0 HD1 TYR A 857 8.134 -3.955 0.384 1.00 0.00 H new ATOM 0 HD2 TYR A 857 9.844 -0.611 2.468 1.00 0.00 H new ATOM 0 HE1 TYR A 857 8.770 -5.448 2.260 1.00 0.00 H new ATOM 0 HE2 TYR A 857 10.480 -2.102 4.342 1.00 0.00 H new ATOM 0 HH TYR A 857 10.469 -4.171 5.148 1.00 0.00 H new ATOM 359 N LEU A 858 5.492 -3.170 0.301 1.00 0.00 N ATOM 360 CA LEU A 858 4.662 -3.942 1.204 1.00 0.00 C ATOM 361 C LEU A 858 5.481 -5.062 1.830 1.00 0.00 C ATOM 362 O LEU A 858 5.882 -5.999 1.143 1.00 0.00 O ATOM 363 CB LEU A 858 3.469 -4.508 0.438 1.00 0.00 C ATOM 364 CG LEU A 858 2.491 -5.146 1.420 1.00 0.00 C ATOM 365 CD1 LEU A 858 2.795 -4.655 2.833 1.00 0.00 C ATOM 366 CD2 LEU A 858 1.065 -4.758 1.042 1.00 0.00 C ATOM 0 H LEU A 858 5.397 -3.429 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 858 4.293 -3.299 2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 858 2.973 -3.715 -0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 858 3.807 -5.248 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 858 2.594 -6.230 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 858 2.096 -5.111 3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 858 3.814 -4.933 3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 858 2.692 -3.571 2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 858 0.366 -5.214 1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 858 0.961 -3.674 1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 858 0.848 -5.109 0.033 1.00 0.00 H new ATOM 378 N PRO A 859 5.730 -4.962 3.137 1.00 0.00 N ATOM 379 CA PRO A 859 6.489 -5.930 3.900 1.00 0.00 C ATOM 380 C PRO A 859 5.664 -7.196 4.081 1.00 0.00 C ATOM 381 O PRO A 859 4.441 -7.133 4.183 1.00 0.00 O ATOM 382 CB PRO A 859 6.753 -5.251 5.242 1.00 0.00 C ATOM 383 CG PRO A 859 5.537 -4.339 5.405 1.00 0.00 C ATOM 384 CD PRO A 859 5.275 -3.873 3.974 1.00 0.00 C ATOM 0 HA PRO A 859 7.418 -6.223 3.411 1.00 0.00 H new ATOM 0 HB2 PRO A 859 6.828 -5.975 6.054 1.00 0.00 H new ATOM 0 HB3 PRO A 859 7.685 -4.685 5.233 1.00 0.00 H new ATOM 0 HG2 PRO A 859 4.682 -4.873 5.820 1.00 0.00 H new ATOM 0 HG3 PRO A 859 5.744 -3.502 6.072 1.00 0.00 H new ATOM 0 HD2 PRO A 859 4.217 -3.667 3.813 1.00 0.00 H new ATOM 0 HD3 PRO A 859 5.816 -2.953 3.753 1.00 0.00 H new ATOM 392 N PRO A 860 6.337 -8.348 4.121 1.00 0.00 N ATOM 393 CA PRO A 860 5.722 -9.648 4.287 1.00 0.00 C ATOM 394 C PRO A 860 5.234 -9.802 5.720 1.00 0.00 C ATOM 395 O PRO A 860 4.326 -10.586 5.988 1.00 0.00 O ATOM 396 CB PRO A 860 6.832 -10.649 3.976 1.00 0.00 C ATOM 397 CG PRO A 860 8.093 -9.899 4.400 1.00 0.00 C ATOM 398 CD PRO A 860 7.775 -8.459 4.005 1.00 0.00 C ATOM 0 HA PRO A 860 4.858 -9.795 3.639 1.00 0.00 H new ATOM 0 HB2 PRO A 860 6.707 -11.577 4.533 1.00 0.00 H new ATOM 0 HB3 PRO A 860 6.854 -10.912 2.919 1.00 0.00 H new ATOM 0 HG2 PRO A 860 8.280 -9.994 5.470 1.00 0.00 H new ATOM 0 HG3 PRO A 860 8.979 -10.274 3.887 1.00 0.00 H new ATOM 0 HD2 PRO A 860 8.280 -7.749 4.660 1.00 0.00 H new ATOM 0 HD3 PRO A 860 8.107 -8.246 2.989 1.00 0.00 H new ATOM 406 N SER A 861 5.840 -9.052 6.643 1.00 0.00 N ATOM 407 CA SER A 861 5.465 -9.110 8.042 1.00 0.00 C ATOM 408 C SER A 861 4.191 -8.309 8.268 1.00 0.00 C ATOM 409 O SER A 861 3.551 -8.438 9.310 1.00 0.00 O ATOM 410 CB SER A 861 6.606 -8.566 8.897 1.00 0.00 C ATOM 411 OG SER A 861 7.143 -9.608 9.681 1.00 0.00 O ATOM 0 H SER A 861 6.595 -8.397 6.437 1.00 0.00 H new ATOM 0 HA SER A 861 5.275 -10.144 8.329 1.00 0.00 H new ATOM 0 HB2 SER A 861 7.381 -8.139 8.260 1.00 0.00 H new ATOM 0 HB3 SER A 861 6.243 -7.763 9.539 1.00 0.00 H new ATOM 0 HG SER A 861 7.877 -9.260 10.229 1.00 0.00 H new ATOM 417 N THR A 862 3.822 -7.480 7.289 1.00 0.00 N ATOM 418 CA THR A 862 2.627 -6.667 7.390 1.00 0.00 C ATOM 419 C THR A 862 1.392 -7.556 7.380 1.00 0.00 C ATOM 420 O THR A 862 1.352 -8.560 6.671 1.00 0.00 O ATOM 421 CB THR A 862 2.589 -5.676 6.230 1.00 0.00 C ATOM 422 OG1 THR A 862 2.869 -4.380 6.710 1.00 0.00 O ATOM 423 CG2 THR A 862 1.203 -5.693 5.592 1.00 0.00 C ATOM 0 H THR A 862 4.341 -7.360 6.419 1.00 0.00 H new ATOM 0 HA THR A 862 2.640 -6.111 8.327 1.00 0.00 H new ATOM 0 HB THR A 862 3.335 -5.958 5.487 1.00 0.00 H new ATOM 0 HG1 THR A 862 2.031 -3.883 6.818 1.00 0.00 H new ATOM 0 HG21 THR A 862 1.175 -4.985 4.763 1.00 0.00 H new ATOM 0 HG22 THR A 862 0.985 -6.695 5.221 1.00 0.00 H new ATOM 0 HG23 THR A 862 0.457 -5.411 6.335 1.00 0.00 H new ATOM 431 N PRO A 863 0.382 -7.185 8.170 1.00 0.00 N ATOM 432 CA PRO A 863 -0.868 -7.904 8.288 1.00 0.00 C ATOM 433 C PRO A 863 -1.692 -7.708 7.024 1.00 0.00 C ATOM 434 O PRO A 863 -1.629 -6.653 6.397 1.00 0.00 O ATOM 435 CB PRO A 863 -1.564 -7.283 9.497 1.00 0.00 C ATOM 436 CG PRO A 863 -1.048 -5.845 9.482 1.00 0.00 C ATOM 437 CD PRO A 863 0.396 -6.012 9.016 1.00 0.00 C ATOM 0 HA PRO A 863 -0.729 -8.978 8.413 1.00 0.00 H new ATOM 0 HB2 PRO A 863 -2.649 -7.324 9.405 1.00 0.00 H new ATOM 0 HB3 PRO A 863 -1.303 -7.797 10.422 1.00 0.00 H new ATOM 0 HG2 PRO A 863 -1.623 -5.216 8.802 1.00 0.00 H new ATOM 0 HG3 PRO A 863 -1.105 -5.384 10.468 1.00 0.00 H new ATOM 0 HD2 PRO A 863 0.738 -5.134 8.468 1.00 0.00 H new ATOM 0 HD3 PRO A 863 1.071 -6.143 9.862 1.00 0.00 H new ATOM 445 N ASP A 864 -2.465 -8.730 6.648 1.00 0.00 N ATOM 446 CA ASP A 864 -3.293 -8.665 5.461 1.00 0.00 C ATOM 447 C ASP A 864 -2.413 -8.565 4.224 1.00 0.00 C ATOM 448 O ASP A 864 -2.898 -8.255 3.138 1.00 0.00 O ATOM 449 CB ASP A 864 -4.228 -7.462 5.559 1.00 0.00 C ATOM 450 CG ASP A 864 -5.680 -7.887 5.394 1.00 0.00 C ATOM 451 OD1 ASP A 864 -5.941 -8.661 4.448 1.00 0.00 O ATOM 452 OD2 ASP A 864 -6.502 -7.431 6.218 1.00 0.00 O ATOM 0 H ASP A 864 -2.528 -9.612 7.157 1.00 0.00 H new ATOM 0 HA ASP A 864 -3.895 -9.570 5.382 1.00 0.00 H new ATOM 0 HB2 ASP A 864 -4.096 -6.972 6.523 1.00 0.00 H new ATOM 0 HB3 ASP A 864 -3.969 -6.732 4.792 1.00 0.00 H new ATOM 457 N PHE A 865 -1.115 -8.829 4.389 1.00 0.00 N ATOM 458 CA PHE A 865 -0.178 -8.767 3.285 1.00 0.00 C ATOM 459 C PHE A 865 -0.801 -9.386 2.043 1.00 0.00 C ATOM 460 O PHE A 865 -0.853 -8.753 0.990 1.00 0.00 O ATOM 461 CB PHE A 865 1.106 -9.499 3.668 1.00 0.00 C ATOM 462 CG PHE A 865 2.255 -9.232 2.726 1.00 0.00 C ATOM 463 CD1 PHE A 865 2.708 -7.923 2.527 1.00 0.00 C ATOM 464 CD2 PHE A 865 2.866 -10.295 2.049 1.00 0.00 C ATOM 465 CE1 PHE A 865 3.772 -7.676 1.651 1.00 0.00 C ATOM 466 CE2 PHE A 865 3.931 -10.048 1.174 1.00 0.00 C ATOM 467 CZ PHE A 865 4.384 -8.738 0.975 1.00 0.00 C ATOM 0 H PHE A 865 -0.696 -9.088 5.282 1.00 0.00 H new ATOM 0 HA PHE A 865 0.063 -7.727 3.065 1.00 0.00 H new ATOM 0 HB2 PHE A 865 1.397 -9.203 4.676 1.00 0.00 H new ATOM 0 HB3 PHE A 865 0.910 -10.571 3.694 1.00 0.00 H new ATOM 0 HD1 PHE A 865 2.237 -7.103 3.049 1.00 0.00 H new ATOM 0 HD2 PHE A 865 2.516 -11.305 2.202 1.00 0.00 H new ATOM 0 HE1 PHE A 865 4.121 -6.666 1.497 1.00 0.00 H new ATOM 0 HE2 PHE A 865 4.403 -10.868 0.653 1.00 0.00 H new ATOM 0 HZ PHE A 865 5.205 -8.547 0.300 1.00 0.00 H new ATOM 477 N SER A 866 -1.276 -10.628 2.166 1.00 0.00 N ATOM 478 CA SER A 866 -1.894 -11.323 1.055 1.00 0.00 C ATOM 479 C SER A 866 -2.555 -10.319 0.121 1.00 0.00 C ATOM 480 O SER A 866 -2.114 -10.138 -1.012 1.00 0.00 O ATOM 481 CB SER A 866 -2.917 -12.322 1.587 1.00 0.00 C ATOM 482 OG SER A 866 -3.458 -13.058 0.512 1.00 0.00 O ATOM 0 H SER A 866 -1.240 -11.167 3.031 1.00 0.00 H new ATOM 0 HA SER A 866 -1.134 -11.866 0.493 1.00 0.00 H new ATOM 0 HB2 SER A 866 -2.445 -12.996 2.302 1.00 0.00 H new ATOM 0 HB3 SER A 866 -3.711 -11.798 2.119 1.00 0.00 H new ATOM 0 HG SER A 866 -4.114 -13.701 0.853 1.00 0.00 H new ATOM 488 N ARG A 867 -3.617 -9.666 0.599 1.00 0.00 N ATOM 489 CA ARG A 867 -4.333 -8.686 -0.192 1.00 0.00 C ATOM 490 C ARG A 867 -3.464 -7.452 -0.393 1.00 0.00 C ATOM 491 O ARG A 867 -3.293 -6.988 -1.519 1.00 0.00 O ATOM 492 CB ARG A 867 -5.637 -8.321 0.511 1.00 0.00 C ATOM 493 CG ARG A 867 -6.278 -9.582 1.082 1.00 0.00 C ATOM 494 CD ARG A 867 -5.988 -10.763 0.160 1.00 0.00 C ATOM 495 NE ARG A 867 -7.071 -11.745 0.208 1.00 0.00 N ATOM 496 CZ ARG A 867 -7.184 -12.745 -0.677 1.00 0.00 C ATOM 497 NH1 ARG A 867 -6.280 -12.877 -1.658 1.00 0.00 N ATOM 498 NH2 ARG A 867 -8.200 -13.613 -0.582 1.00 0.00 N ATOM 0 H ARG A 867 -3.995 -9.806 1.536 1.00 0.00 H new ATOM 0 HA ARG A 867 -4.568 -9.104 -1.171 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -5.444 -7.605 1.310 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -6.318 -7.840 -0.191 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -5.887 -9.781 2.080 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -7.354 -9.442 1.183 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -5.860 -10.408 -0.862 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -5.051 -11.236 0.453 1.00 0.00 H new ATOM 0 HE ARG A 867 -7.770 -11.665 0.947 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -5.506 -12.216 -1.731 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -6.366 -13.638 -2.332 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -8.888 -13.513 0.164 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -8.285 -14.374 -1.256 1.00 0.00 H new ATOM 512 N LEU A 868 -2.915 -6.921 0.702 1.00 0.00 N ATOM 513 CA LEU A 868 -2.069 -5.747 0.640 1.00 0.00 C ATOM 514 C LEU A 868 -1.282 -5.744 -0.663 1.00 0.00 C ATOM 515 O LEU A 868 -1.240 -4.735 -1.363 1.00 0.00 O ATOM 516 CB LEU A 868 -1.126 -5.737 1.840 1.00 0.00 C ATOM 517 CG LEU A 868 -1.891 -5.294 3.084 1.00 0.00 C ATOM 518 CD1 LEU A 868 -0.936 -4.595 4.047 1.00 0.00 C ATOM 519 CD2 LEU A 868 -3.004 -4.331 2.681 1.00 0.00 C ATOM 0 H LEU A 868 -3.048 -7.294 1.642 1.00 0.00 H new ATOM 0 HA LEU A 868 -2.686 -4.849 0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 868 -0.705 -6.731 1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 868 -0.291 -5.062 1.654 1.00 0.00 H new ATOM 0 HG LEU A 868 -2.325 -6.166 3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 868 -1.482 -4.279 4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 868 -0.142 -5.283 4.335 1.00 0.00 H new ATOM 0 HD13 LEU A 868 -0.501 -3.723 3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 868 -3.551 -4.014 3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 868 -2.571 -3.459 2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 868 -3.687 -4.831 1.994 1.00 0.00 H new ATOM 531 N ARG A 869 -0.658 -6.879 -0.987 1.00 0.00 N ATOM 532 CA ARG A 869 0.123 -7.002 -2.201 1.00 0.00 C ATOM 533 C ARG A 869 -0.786 -6.870 -3.415 1.00 0.00 C ATOM 534 O ARG A 869 -0.982 -5.772 -3.930 1.00 0.00 O ATOM 535 CB ARG A 869 0.842 -8.348 -2.208 1.00 0.00 C ATOM 536 CG ARG A 869 2.017 -8.292 -3.180 1.00 0.00 C ATOM 537 CD ARG A 869 3.321 -8.183 -2.396 1.00 0.00 C ATOM 538 NE ARG A 869 3.759 -9.495 -1.918 1.00 0.00 N ATOM 539 CZ ARG A 869 4.507 -10.324 -2.658 1.00 0.00 C ATOM 540 NH1 ARG A 869 4.887 -9.963 -3.891 1.00 0.00 N ATOM 541 NH2 ARG A 869 4.875 -11.515 -2.165 1.00 0.00 N ATOM 0 H ARG A 869 -0.684 -7.724 -0.417 1.00 0.00 H new ATOM 0 HA ARG A 869 0.867 -6.207 -2.241 1.00 0.00 H new ATOM 0 HB2 ARG A 869 1.197 -8.588 -1.206 1.00 0.00 H new ATOM 0 HB3 ARG A 869 0.152 -9.140 -2.500 1.00 0.00 H new ATOM 0 HG2 ARG A 869 2.029 -9.185 -3.804 1.00 0.00 H new ATOM 0 HG3 ARG A 869 1.910 -7.438 -3.848 1.00 0.00 H new ATOM 0 HD2 ARG A 869 4.094 -7.746 -3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 869 3.185 -7.511 -1.549 1.00 0.00 H new ATOM 0 HE ARG A 869 3.483 -9.791 -0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 869 4.607 -9.057 -4.266 1.00 0.00 H new ATOM 0 HH12 ARG A 869 5.457 -10.594 -4.454 1.00 0.00 H new ATOM 0 HH21 ARG A 869 4.585 -11.790 -1.226 1.00 0.00 H new ATOM 0 HH22 ARG A 869 5.445 -12.146 -2.728 1.00 0.00 H new ATOM 555 N ARG A 870 -1.343 -7.995 -3.870 1.00 0.00 N ATOM 556 CA ARG A 870 -2.226 -8.000 -5.019 1.00 0.00 C ATOM 557 C ARG A 870 -3.090 -6.747 -5.011 1.00 0.00 C ATOM 558 O ARG A 870 -3.058 -5.963 -5.957 1.00 0.00 O ATOM 559 CB ARG A 870 -3.094 -9.255 -4.986 1.00 0.00 C ATOM 560 CG ARG A 870 -4.029 -9.259 -6.192 1.00 0.00 C ATOM 561 CD ARG A 870 -3.361 -9.995 -7.350 1.00 0.00 C ATOM 562 NE ARG A 870 -3.236 -9.128 -8.522 1.00 0.00 N ATOM 563 CZ ARG A 870 -2.687 -9.538 -9.673 1.00 0.00 C ATOM 564 NH1 ARG A 870 -2.226 -10.791 -9.787 1.00 0.00 N ATOM 565 NH2 ARG A 870 -2.599 -8.696 -10.712 1.00 0.00 N ATOM 0 H ARG A 870 -1.192 -8.913 -3.452 1.00 0.00 H new ATOM 0 HA ARG A 870 -1.637 -8.005 -5.936 1.00 0.00 H new ATOM 0 HB2 ARG A 870 -2.465 -10.145 -4.997 1.00 0.00 H new ATOM 0 HB3 ARG A 870 -3.673 -9.285 -4.063 1.00 0.00 H new ATOM 0 HG2 ARG A 870 -4.971 -9.743 -5.934 1.00 0.00 H new ATOM 0 HG3 ARG A 870 -4.266 -8.236 -6.485 1.00 0.00 H new ATOM 0 HD2 ARG A 870 -2.374 -10.342 -7.044 1.00 0.00 H new ATOM 0 HD3 ARG A 870 -3.944 -10.879 -7.608 1.00 0.00 H new ATOM 0 HE ARG A 870 -3.582 -8.170 -8.460 1.00 0.00 H new ATOM 0 HH11 ARG A 870 -2.293 -11.433 -8.997 1.00 0.00 H new ATOM 0 HH12 ARG A 870 -1.808 -11.103 -10.664 1.00 0.00 H new ATOM 0 HH21 ARG A 870 -2.950 -7.742 -10.627 1.00 0.00 H new ATOM 0 HH22 ARG A 870 -2.181 -9.009 -11.588 1.00 0.00 H new ATOM 579 N TYR A 871 -3.863 -6.559 -3.939 1.00 0.00 N ATOM 580 CA TYR A 871 -4.730 -5.404 -3.817 1.00 0.00 C ATOM 581 C TYR A 871 -3.991 -4.154 -4.272 1.00 0.00 C ATOM 582 O TYR A 871 -4.274 -3.617 -5.341 1.00 0.00 O ATOM 583 CB TYR A 871 -5.188 -5.265 -2.368 1.00 0.00 C ATOM 584 CG TYR A 871 -6.357 -4.326 -2.193 1.00 0.00 C ATOM 585 CD1 TYR A 871 -7.505 -4.482 -2.980 1.00 0.00 C ATOM 586 CD2 TYR A 871 -6.293 -3.298 -1.244 1.00 0.00 C ATOM 587 CE1 TYR A 871 -8.588 -3.611 -2.818 1.00 0.00 C ATOM 588 CE2 TYR A 871 -7.377 -2.427 -1.082 1.00 0.00 C ATOM 589 CZ TYR A 871 -8.525 -2.583 -1.869 1.00 0.00 C ATOM 590 OH TYR A 871 -9.580 -1.734 -1.711 1.00 0.00 O ATOM 0 H TYR A 871 -3.900 -7.199 -3.145 1.00 0.00 H new ATOM 0 HA TYR A 871 -5.607 -5.533 -4.451 1.00 0.00 H new ATOM 0 HB2 TYR A 871 -5.462 -6.248 -1.986 1.00 0.00 H new ATOM 0 HB3 TYR A 871 -4.353 -4.910 -1.764 1.00 0.00 H new ATOM 0 HD1 TYR A 871 -7.554 -5.275 -3.712 1.00 0.00 H new ATOM 0 HD2 TYR A 871 -5.408 -3.177 -0.637 1.00 0.00 H new ATOM 0 HE1 TYR A 871 -9.473 -3.732 -3.425 1.00 0.00 H new ATOM 0 HE2 TYR A 871 -7.328 -1.635 -0.350 1.00 0.00 H new ATOM 0 HH TYR A 871 -9.954 -1.841 -0.812 1.00 0.00 H new ATOM 600 N PHE A 872 -3.041 -3.689 -3.456 1.00 0.00 N ATOM 601 CA PHE A 872 -2.269 -2.507 -3.780 1.00 0.00 C ATOM 602 C PHE A 872 -1.883 -2.529 -5.252 1.00 0.00 C ATOM 603 O PHE A 872 -2.636 -2.056 -6.101 1.00 0.00 O ATOM 604 CB PHE A 872 -1.027 -2.454 -2.895 1.00 0.00 C ATOM 605 CG PHE A 872 -0.270 -1.151 -2.996 1.00 0.00 C ATOM 606 CD1 PHE A 872 0.322 -0.778 -4.209 1.00 0.00 C ATOM 607 CD2 PHE A 872 -0.158 -0.318 -1.877 1.00 0.00 C ATOM 608 CE1 PHE A 872 1.026 0.429 -4.302 1.00 0.00 C ATOM 609 CE2 PHE A 872 0.546 0.888 -1.970 1.00 0.00 C ATOM 610 CZ PHE A 872 1.138 1.262 -3.182 1.00 0.00 C ATOM 0 H PHE A 872 -2.795 -4.121 -2.566 1.00 0.00 H new ATOM 0 HA PHE A 872 -2.868 -1.615 -3.597 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -1.322 -2.614 -1.858 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -0.362 -3.274 -3.167 1.00 0.00 H new ATOM 0 HD1 PHE A 872 0.236 -1.421 -5.072 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -0.615 -0.606 -0.942 1.00 0.00 H new ATOM 0 HE1 PHE A 872 1.482 0.717 -5.237 1.00 0.00 H new ATOM 0 HE2 PHE A 872 0.633 1.530 -1.106 1.00 0.00 H new ATOM 0 HZ PHE A 872 1.681 2.193 -3.253 1.00 0.00 H new ATOM 620 N VAL A 873 -0.705 -3.080 -5.554 1.00 0.00 N ATOM 621 CA VAL A 873 -0.226 -3.161 -6.919 1.00 0.00 C ATOM 622 C VAL A 873 -1.406 -3.267 -7.874 1.00 0.00 C ATOM 623 O VAL A 873 -1.381 -2.694 -8.961 1.00 0.00 O ATOM 624 CB VAL A 873 0.696 -4.369 -7.063 1.00 0.00 C ATOM 625 CG1 VAL A 873 0.320 -5.423 -6.025 1.00 0.00 C ATOM 626 CG2 VAL A 873 0.547 -4.958 -8.463 1.00 0.00 C ATOM 0 H VAL A 873 -0.069 -3.476 -4.862 1.00 0.00 H new ATOM 0 HA VAL A 873 0.336 -2.260 -7.165 1.00 0.00 H new ATOM 0 HB VAL A 873 1.729 -4.058 -6.907 1.00 0.00 H new ATOM 0 HG11 VAL A 873 0.978 -6.286 -6.128 1.00 0.00 H new ATOM 0 HG12 VAL A 873 0.426 -5.003 -5.025 1.00 0.00 H new ATOM 0 HG13 VAL A 873 -0.713 -5.734 -6.180 1.00 0.00 H new ATOM 0 HG21 VAL A 873 1.205 -5.821 -8.567 1.00 0.00 H new ATOM 0 HG22 VAL A 873 -0.486 -5.269 -8.619 1.00 0.00 H new ATOM 0 HG23 VAL A 873 0.815 -4.206 -9.205 1.00 0.00 H new ATOM 636 N ALA A 874 -2.443 -4.001 -7.465 1.00 0.00 N ATOM 637 CA ALA A 874 -3.625 -4.178 -8.284 1.00 0.00 C ATOM 638 C ALA A 874 -4.265 -2.826 -8.564 1.00 0.00 C ATOM 639 O ALA A 874 -4.664 -2.548 -9.693 1.00 0.00 O ATOM 640 CB ALA A 874 -4.606 -5.103 -7.568 1.00 0.00 C ATOM 0 H ALA A 874 -2.480 -4.481 -6.566 1.00 0.00 H new ATOM 0 HA ALA A 874 -3.348 -4.631 -9.236 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -5.496 -5.237 -8.184 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -4.135 -6.071 -7.397 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -4.889 -4.663 -6.612 1.00 0.00 H new ATOM 646 N PHE A 875 -4.363 -1.984 -7.533 1.00 0.00 N ATOM 647 CA PHE A 875 -4.954 -0.669 -7.675 1.00 0.00 C ATOM 648 C PHE A 875 -4.400 0.014 -8.918 1.00 0.00 C ATOM 649 O PHE A 875 -5.148 0.625 -9.678 1.00 0.00 O ATOM 650 CB PHE A 875 -4.658 0.158 -6.427 1.00 0.00 C ATOM 651 CG PHE A 875 -5.156 -0.478 -5.151 1.00 0.00 C ATOM 652 CD1 PHE A 875 -5.646 -1.789 -5.167 1.00 0.00 C ATOM 653 CD2 PHE A 875 -5.125 0.243 -3.951 1.00 0.00 C ATOM 654 CE1 PHE A 875 -6.106 -2.379 -3.984 1.00 0.00 C ATOM 655 CE2 PHE A 875 -5.585 -0.347 -2.768 1.00 0.00 C ATOM 656 CZ PHE A 875 -6.075 -1.658 -2.784 1.00 0.00 C ATOM 0 H PHE A 875 -4.037 -2.199 -6.591 1.00 0.00 H new ATOM 0 HA PHE A 875 -6.034 -0.762 -7.786 1.00 0.00 H new ATOM 0 HB2 PHE A 875 -3.582 0.313 -6.350 1.00 0.00 H new ATOM 0 HB3 PHE A 875 -5.115 1.142 -6.536 1.00 0.00 H new ATOM 0 HD1 PHE A 875 -5.669 -2.345 -6.092 1.00 0.00 H new ATOM 0 HD2 PHE A 875 -4.746 1.254 -3.938 1.00 0.00 H new ATOM 0 HE1 PHE A 875 -6.485 -3.390 -3.997 1.00 0.00 H new ATOM 0 HE2 PHE A 875 -5.562 0.209 -1.843 1.00 0.00 H new ATOM 0 HZ PHE A 875 -6.429 -2.113 -1.871 1.00 0.00 H new ATOM 666 N ASP A 876 -3.085 -0.092 -9.124 1.00 0.00 N ATOM 667 CA ASP A 876 -2.440 0.515 -10.271 1.00 0.00 C ATOM 668 C ASP A 876 -1.064 1.030 -9.875 1.00 0.00 C ATOM 669 O ASP A 876 -0.477 1.845 -10.583 1.00 0.00 O ATOM 670 CB ASP A 876 -3.311 1.650 -10.802 1.00 0.00 C ATOM 671 CG ASP A 876 -4.252 1.152 -11.889 1.00 0.00 C ATOM 672 OD1 ASP A 876 -4.057 -0.005 -12.322 1.00 0.00 O ATOM 673 OD2 ASP A 876 -5.148 1.936 -12.268 1.00 0.00 O ATOM 0 H ASP A 876 -2.451 -0.596 -8.504 1.00 0.00 H new ATOM 0 HA ASP A 876 -2.315 -0.228 -11.059 1.00 0.00 H new ATOM 0 HB2 ASP A 876 -3.889 2.082 -9.985 1.00 0.00 H new ATOM 0 HB3 ASP A 876 -2.678 2.444 -11.199 1.00 0.00 H new ATOM 678 N GLY A 877 -0.549 0.554 -8.739 1.00 0.00 N ATOM 679 CA GLY A 877 0.753 0.972 -8.260 1.00 0.00 C ATOM 680 C GLY A 877 1.774 -0.137 -8.473 1.00 0.00 C ATOM 681 O GLY A 877 1.711 -0.862 -9.463 1.00 0.00 O ATOM 0 H GLY A 877 -1.022 -0.122 -8.139 1.00 0.00 H new ATOM 0 HA2 GLY A 877 1.069 1.873 -8.785 1.00 0.00 H new ATOM 0 HA3 GLY A 877 0.695 1.224 -7.201 1.00 0.00 H new ATOM 685 N ASP A 878 2.718 -0.268 -7.538 1.00 0.00 N ATOM 686 CA ASP A 878 3.747 -1.285 -7.628 1.00 0.00 C ATOM 687 C ASP A 878 4.296 -1.586 -6.240 1.00 0.00 C ATOM 688 O ASP A 878 4.160 -0.774 -5.328 1.00 0.00 O ATOM 689 CB ASP A 878 4.858 -0.803 -8.556 1.00 0.00 C ATOM 690 CG ASP A 878 4.821 -1.550 -9.882 1.00 0.00 C ATOM 691 OD1 ASP A 878 4.564 -2.773 -9.837 1.00 0.00 O ATOM 692 OD2 ASP A 878 5.051 -0.885 -10.915 1.00 0.00 O ATOM 0 H ASP A 878 2.784 0.324 -6.710 1.00 0.00 H new ATOM 0 HA ASP A 878 3.323 -2.202 -8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 878 4.750 0.267 -8.734 1.00 0.00 H new ATOM 0 HB3 ASP A 878 5.826 -0.951 -8.078 1.00 0.00 H new ATOM 697 N LEU A 879 4.917 -2.757 -6.083 1.00 0.00 N ATOM 698 CA LEU A 879 5.482 -3.158 -4.810 1.00 0.00 C ATOM 699 C LEU A 879 6.903 -3.665 -5.012 1.00 0.00 C ATOM 700 O LEU A 879 7.130 -4.593 -5.785 1.00 0.00 O ATOM 701 CB LEU A 879 4.607 -4.240 -4.184 1.00 0.00 C ATOM 702 CG LEU A 879 3.140 -3.839 -4.302 1.00 0.00 C ATOM 703 CD1 LEU A 879 2.296 -4.714 -3.379 1.00 0.00 C ATOM 704 CD2 LEU A 879 2.979 -2.375 -3.903 1.00 0.00 C ATOM 0 H LEU A 879 5.037 -3.441 -6.830 1.00 0.00 H new ATOM 0 HA LEU A 879 5.515 -2.301 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 879 4.776 -5.194 -4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 879 4.874 -4.378 -3.136 1.00 0.00 H new ATOM 0 HG LEU A 879 2.809 -3.974 -5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 879 1.248 -4.427 -3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 879 2.410 -5.760 -3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 879 2.627 -4.581 -2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 879 1.931 -2.088 -3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 879 3.311 -2.240 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 879 3.580 -1.750 -4.563 1.00 0.00 H new ATOM 716 N VAL A 880 7.862 -3.052 -4.313 1.00 0.00 N ATOM 717 CA VAL A 880 9.253 -3.442 -4.418 1.00 0.00 C ATOM 718 C VAL A 880 9.668 -4.210 -3.172 1.00 0.00 C ATOM 719 O VAL A 880 9.304 -3.836 -2.060 1.00 0.00 O ATOM 720 CB VAL A 880 10.117 -2.197 -4.599 1.00 0.00 C ATOM 721 CG1 VAL A 880 11.013 -2.373 -5.822 1.00 0.00 C ATOM 722 CG2 VAL A 880 9.219 -0.980 -4.797 1.00 0.00 C ATOM 0 H VAL A 880 7.690 -2.281 -3.668 1.00 0.00 H new ATOM 0 HA VAL A 880 9.389 -4.091 -5.283 1.00 0.00 H new ATOM 0 HB VAL A 880 10.736 -2.052 -3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 880 11.630 -1.484 -5.952 1.00 0.00 H new ATOM 0 HG12 VAL A 880 11.655 -3.243 -5.681 1.00 0.00 H new ATOM 0 HG13 VAL A 880 10.395 -2.518 -6.708 1.00 0.00 H new ATOM 0 HG21 VAL A 880 9.835 -0.090 -4.926 1.00 0.00 H new ATOM 0 HG22 VAL A 880 8.600 -1.125 -5.683 1.00 0.00 H new ATOM 0 HG23 VAL A 880 8.579 -0.854 -3.924 1.00 0.00 H new ATOM 732 N GLN A 881 10.433 -5.288 -3.360 1.00 0.00 N ATOM 733 CA GLN A 881 10.891 -6.102 -2.252 1.00 0.00 C ATOM 734 C GLN A 881 11.823 -5.289 -1.364 1.00 0.00 C ATOM 735 O GLN A 881 12.742 -4.637 -1.857 1.00 0.00 O ATOM 736 CB GLN A 881 11.602 -7.340 -2.792 1.00 0.00 C ATOM 737 CG GLN A 881 10.605 -8.209 -3.552 1.00 0.00 C ATOM 738 CD GLN A 881 11.302 -9.400 -4.195 1.00 0.00 C ATOM 739 OE1 GLN A 881 11.489 -10.432 -3.555 1.00 0.00 O ATOM 740 NE2 GLN A 881 11.688 -9.253 -5.464 1.00 0.00 N ATOM 0 H GLN A 881 10.745 -5.611 -4.276 1.00 0.00 H new ATOM 0 HA GLN A 881 10.038 -6.421 -1.653 1.00 0.00 H new ATOM 0 HB2 GLN A 881 12.419 -7.045 -3.450 1.00 0.00 H new ATOM 0 HB3 GLN A 881 12.043 -7.906 -1.971 1.00 0.00 H new ATOM 0 HG2 GLN A 881 9.830 -8.560 -2.871 1.00 0.00 H new ATOM 0 HG3 GLN A 881 10.110 -7.615 -4.320 1.00 0.00 H new ATOM 0 HE21 GLN A 881 11.510 -8.376 -5.953 1.00 0.00 H new ATOM 0 HE22 GLN A 881 12.161 -10.018 -5.945 1.00 0.00 H new ATOM 749 N GLU A 882 11.586 -5.329 -0.051 1.00 0.00 N ATOM 750 CA GLU A 882 12.406 -4.597 0.894 1.00 0.00 C ATOM 751 C GLU A 882 13.799 -4.384 0.317 1.00 0.00 C ATOM 752 O GLU A 882 14.155 -3.267 -0.054 1.00 0.00 O ATOM 753 CB GLU A 882 12.478 -5.370 2.208 1.00 0.00 C ATOM 754 CG GLU A 882 13.244 -4.549 3.240 1.00 0.00 C ATOM 755 CD GLU A 882 13.923 -5.453 4.259 1.00 0.00 C ATOM 756 OE1 GLU A 882 14.391 -6.532 3.836 1.00 0.00 O ATOM 757 OE2 GLU A 882 13.962 -5.048 5.440 1.00 0.00 O ATOM 0 H GLU A 882 10.829 -5.864 0.375 1.00 0.00 H new ATOM 0 HA GLU A 882 11.962 -3.620 1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 882 11.473 -5.584 2.572 1.00 0.00 H new ATOM 0 HB3 GLU A 882 12.972 -6.329 2.051 1.00 0.00 H new ATOM 0 HG2 GLU A 882 13.991 -3.934 2.739 1.00 0.00 H new ATOM 0 HG3 GLU A 882 12.561 -3.869 3.749 1.00 0.00 H new ATOM 764 N PHE A 883 14.586 -5.459 0.240 1.00 0.00 N ATOM 765 CA PHE A 883 15.932 -5.383 -0.291 1.00 0.00 C ATOM 766 C PHE A 883 15.884 -5.023 -1.770 1.00 0.00 C ATOM 767 O PHE A 883 16.840 -5.268 -2.501 1.00 0.00 O ATOM 768 CB PHE A 883 16.637 -6.720 -0.082 1.00 0.00 C ATOM 769 CG PHE A 883 16.005 -7.860 -0.844 1.00 0.00 C ATOM 770 CD1 PHE A 883 16.411 -8.137 -2.155 1.00 0.00 C ATOM 771 CD2 PHE A 883 15.014 -8.643 -0.239 1.00 0.00 C ATOM 772 CE1 PHE A 883 15.827 -9.195 -2.860 1.00 0.00 C ATOM 773 CE2 PHE A 883 14.430 -9.701 -0.944 1.00 0.00 C ATOM 774 CZ PHE A 883 14.836 -9.977 -2.255 1.00 0.00 C ATOM 0 H PHE A 883 14.305 -6.392 0.542 1.00 0.00 H new ATOM 0 HA PHE A 883 16.490 -4.607 0.233 1.00 0.00 H new ATOM 0 HB2 PHE A 883 17.679 -6.624 -0.386 1.00 0.00 H new ATOM 0 HB3 PHE A 883 16.636 -6.960 0.981 1.00 0.00 H new ATOM 0 HD1 PHE A 883 17.175 -7.534 -2.622 1.00 0.00 H new ATOM 0 HD2 PHE A 883 14.700 -8.430 0.772 1.00 0.00 H new ATOM 0 HE1 PHE A 883 16.141 -9.408 -3.871 1.00 0.00 H new ATOM 0 HE2 PHE A 883 13.666 -10.305 -0.477 1.00 0.00 H new ATOM 0 HZ PHE A 883 14.385 -10.793 -2.800 1.00 0.00 H new ATOM 784 N ASP A 884 14.765 -4.441 -2.208 1.00 0.00 N ATOM 785 CA ASP A 884 14.598 -4.053 -3.594 1.00 0.00 C ATOM 786 C ASP A 884 13.664 -2.855 -3.684 1.00 0.00 C ATOM 787 O ASP A 884 12.448 -3.019 -3.763 1.00 0.00 O ATOM 788 CB ASP A 884 14.045 -5.232 -4.389 1.00 0.00 C ATOM 789 CG ASP A 884 15.053 -6.371 -4.445 1.00 0.00 C ATOM 790 OD1 ASP A 884 16.260 -6.057 -4.540 1.00 0.00 O ATOM 791 OD2 ASP A 884 14.599 -7.534 -4.391 1.00 0.00 O ATOM 0 H ASP A 884 13.963 -4.231 -1.613 1.00 0.00 H new ATOM 0 HA ASP A 884 15.562 -3.769 -4.016 1.00 0.00 H new ATOM 0 HB2 ASP A 884 13.120 -5.582 -3.931 1.00 0.00 H new ATOM 0 HB3 ASP A 884 13.798 -4.910 -5.401 1.00 0.00 H new ATOM 796 N MET A 885 14.233 -1.648 -3.673 1.00 0.00 N ATOM 797 CA MET A 885 13.447 -0.433 -3.751 1.00 0.00 C ATOM 798 C MET A 885 14.215 0.633 -4.520 1.00 0.00 C ATOM 799 O MET A 885 13.712 1.180 -5.499 1.00 0.00 O ATOM 800 CB MET A 885 13.117 0.050 -2.342 1.00 0.00 C ATOM 801 CG MET A 885 14.133 -0.522 -1.357 1.00 0.00 C ATOM 802 SD MET A 885 13.638 -0.376 0.377 1.00 0.00 S ATOM 803 CE MET A 885 12.366 -1.663 0.426 1.00 0.00 C ATOM 0 H MET A 885 15.239 -1.494 -3.610 1.00 0.00 H new ATOM 0 HA MET A 885 12.516 -0.633 -4.281 1.00 0.00 H new ATOM 0 HB2 MET A 885 13.133 1.139 -2.306 1.00 0.00 H new ATOM 0 HB3 MET A 885 12.110 -0.263 -2.065 1.00 0.00 H new ATOM 0 HG2 MET A 885 14.297 -1.574 -1.590 1.00 0.00 H new ATOM 0 HG3 MET A 885 15.086 -0.012 -1.496 1.00 0.00 H new ATOM 0 HE1 MET A 885 12.417 -2.189 1.380 1.00 0.00 H new ATOM 0 HE2 MET A 885 11.382 -1.207 0.315 1.00 0.00 H new ATOM 0 HE3 MET A 885 12.532 -2.370 -0.387 1.00 0.00 H new ATOM 813 N THR A 886 15.438 0.927 -4.074 1.00 0.00 N ATOM 814 CA THR A 886 16.266 1.924 -4.724 1.00 0.00 C ATOM 815 C THR A 886 15.432 2.727 -5.711 1.00 0.00 C ATOM 816 O THR A 886 15.378 3.952 -5.630 1.00 0.00 O ATOM 817 CB THR A 886 17.428 1.234 -5.433 1.00 0.00 C ATOM 818 OG1 THR A 886 16.977 0.690 -6.653 1.00 0.00 O ATOM 819 CG2 THR A 886 17.974 0.117 -4.549 1.00 0.00 C ATOM 0 H THR A 886 15.870 0.484 -3.263 1.00 0.00 H new ATOM 0 HA THR A 886 16.667 2.610 -3.978 1.00 0.00 H new ATOM 0 HB THR A 886 18.217 1.960 -5.628 1.00 0.00 H new ATOM 0 HG1 THR A 886 17.723 0.248 -7.110 1.00 0.00 H new ATOM 0 HG21 THR A 886 18.804 -0.375 -5.056 1.00 0.00 H new ATOM 0 HG22 THR A 886 18.323 0.537 -3.606 1.00 0.00 H new ATOM 0 HG23 THR A 886 17.186 -0.610 -4.353 1.00 0.00 H new ATOM 827 N SER A 887 14.779 2.033 -6.646 1.00 0.00 N ATOM 828 CA SER A 887 13.951 2.683 -7.641 1.00 0.00 C ATOM 829 C SER A 887 12.506 2.725 -7.165 1.00 0.00 C ATOM 830 O SER A 887 11.682 3.435 -7.736 1.00 0.00 O ATOM 831 CB SER A 887 14.063 1.932 -8.965 1.00 0.00 C ATOM 832 OG SER A 887 14.919 2.637 -9.835 1.00 0.00 O ATOM 0 H SER A 887 14.814 1.017 -6.727 1.00 0.00 H new ATOM 0 HA SER A 887 14.293 3.707 -7.789 1.00 0.00 H new ATOM 0 HB2 SER A 887 14.449 0.927 -8.794 1.00 0.00 H new ATOM 0 HB3 SER A 887 13.077 1.822 -9.417 1.00 0.00 H new ATOM 0 HG SER A 887 14.992 2.154 -10.684 1.00 0.00 H new ATOM 838 N ALA A 888 12.201 1.961 -6.113 1.00 0.00 N ATOM 839 CA ALA A 888 10.860 1.913 -5.566 1.00 0.00 C ATOM 840 C ALA A 888 10.314 3.326 -5.417 1.00 0.00 C ATOM 841 O ALA A 888 11.009 4.296 -5.710 1.00 0.00 O ATOM 842 CB ALA A 888 10.887 1.198 -4.218 1.00 0.00 C ATOM 0 H ALA A 888 12.874 1.368 -5.627 1.00 0.00 H new ATOM 0 HA ALA A 888 10.206 1.361 -6.241 1.00 0.00 H new ATOM 0 HB1 ALA A 888 9.879 1.161 -3.805 1.00 0.00 H new ATOM 0 HB2 ALA A 888 11.262 0.183 -4.352 1.00 0.00 H new ATOM 0 HB3 ALA A 888 11.540 1.738 -3.533 1.00 0.00 H new ATOM 848 N THR A 889 9.065 3.441 -4.959 1.00 0.00 N ATOM 849 CA THR A 889 8.439 4.734 -4.775 1.00 0.00 C ATOM 850 C THR A 889 7.911 4.857 -3.352 1.00 0.00 C ATOM 851 O THR A 889 8.068 5.898 -2.717 1.00 0.00 O ATOM 852 CB THR A 889 7.308 4.899 -5.786 1.00 0.00 C ATOM 853 OG1 THR A 889 7.278 6.233 -6.244 1.00 0.00 O ATOM 854 CG2 THR A 889 5.977 4.560 -5.122 1.00 0.00 C ATOM 0 H THR A 889 8.474 2.648 -4.711 1.00 0.00 H new ATOM 0 HA THR A 889 9.174 5.523 -4.937 1.00 0.00 H new ATOM 0 HB THR A 889 7.474 4.228 -6.629 1.00 0.00 H new ATOM 0 HG1 THR A 889 6.398 6.427 -6.628 1.00 0.00 H new ATOM 0 HG21 THR A 889 5.169 4.678 -5.845 1.00 0.00 H new ATOM 0 HG22 THR A 889 5.999 3.529 -4.768 1.00 0.00 H new ATOM 0 HG23 THR A 889 5.810 5.230 -4.279 1.00 0.00 H new ATOM 862 N HIS A 890 7.284 3.790 -2.852 1.00 0.00 N ATOM 863 CA HIS A 890 6.738 3.788 -1.509 1.00 0.00 C ATOM 864 C HIS A 890 7.258 2.583 -0.739 1.00 0.00 C ATOM 865 O HIS A 890 7.728 1.617 -1.335 1.00 0.00 O ATOM 866 CB HIS A 890 5.213 3.766 -1.583 1.00 0.00 C ATOM 867 CG HIS A 890 4.632 5.098 -1.970 1.00 0.00 C ATOM 868 ND1 HIS A 890 5.150 5.970 -2.901 1.00 0.00 N ATOM 869 CD2 HIS A 890 3.492 5.660 -1.461 1.00 0.00 C ATOM 870 CE1 HIS A 890 4.333 7.037 -2.947 1.00 0.00 C ATOM 871 NE2 HIS A 890 3.309 6.895 -2.089 1.00 0.00 N ATOM 0 HA HIS A 890 7.052 4.690 -0.984 1.00 0.00 H new ATOM 0 HB2 HIS A 890 4.899 3.013 -2.306 1.00 0.00 H new ATOM 0 HB3 HIS A 890 4.811 3.466 -0.616 1.00 0.00 H new ATOM 0 HD2 HIS A 890 2.849 5.227 -0.709 1.00 0.00 H new ATOM 0 HE1 HIS A 890 4.480 7.894 -3.588 1.00 0.00 H new ATOM 0 HE2 HIS A 890 2.550 7.557 -1.928 1.00 0.00 H new ATOM 879 N VAL A 891 7.171 2.642 0.593 1.00 0.00 N ATOM 880 CA VAL A 891 7.632 1.559 1.438 1.00 0.00 C ATOM 881 C VAL A 891 6.787 1.497 2.702 1.00 0.00 C ATOM 882 O VAL A 891 6.696 2.476 3.439 1.00 0.00 O ATOM 883 CB VAL A 891 9.103 1.773 1.781 1.00 0.00 C ATOM 884 CG1 VAL A 891 9.956 1.529 0.539 1.00 0.00 C ATOM 885 CG2 VAL A 891 9.309 3.205 2.266 1.00 0.00 C ATOM 0 H VAL A 891 6.782 3.436 1.102 1.00 0.00 H new ATOM 0 HA VAL A 891 7.530 0.611 0.909 1.00 0.00 H new ATOM 0 HB VAL A 891 9.398 1.077 2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 891 11.007 1.682 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 891 9.809 0.506 0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 891 9.662 2.225 -0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 891 10.360 3.358 2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 891 9.014 3.901 1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 891 8.700 3.380 3.153 1.00 0.00 H new ATOM 895 N LEU A 892 6.166 0.341 2.951 1.00 0.00 N ATOM 896 CA LEU A 892 5.333 0.157 4.123 1.00 0.00 C ATOM 897 C LEU A 892 6.207 0.017 5.361 1.00 0.00 C ATOM 898 O LEU A 892 7.022 -0.899 5.448 1.00 0.00 O ATOM 899 CB LEU A 892 4.459 -1.080 3.936 1.00 0.00 C ATOM 900 CG LEU A 892 3.018 -0.745 4.310 1.00 0.00 C ATOM 901 CD1 LEU A 892 2.099 -1.068 3.135 1.00 0.00 C ATOM 902 CD2 LEU A 892 2.602 -1.572 5.523 1.00 0.00 C ATOM 0 H LEU A 892 6.230 -0.480 2.349 1.00 0.00 H new ATOM 0 HA LEU A 892 4.688 1.026 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 892 4.508 -1.420 2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 892 4.827 -1.896 4.558 1.00 0.00 H new ATOM 0 HG LEU A 892 2.942 0.316 4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 892 1.070 -0.829 3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 892 2.396 -0.478 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 892 2.175 -2.129 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 892 1.573 -1.333 5.791 1.00 0.00 H new ATOM 0 HD22 LEU A 892 2.678 -2.633 5.284 1.00 0.00 H new ATOM 0 HD23 LEU A 892 3.258 -1.342 6.363 1.00 0.00 H new ATOM 914 N GLY A 893 6.036 0.929 6.322 1.00 0.00 N ATOM 915 CA GLY A 893 6.810 0.898 7.546 1.00 0.00 C ATOM 916 C GLY A 893 8.299 0.889 7.229 1.00 0.00 C ATOM 917 O GLY A 893 8.800 -0.049 6.612 1.00 0.00 O ATOM 0 H GLY A 893 5.365 1.695 6.267 1.00 0.00 H new ATOM 0 HA2 GLY A 893 6.567 1.765 8.160 1.00 0.00 H new ATOM 0 HA3 GLY A 893 6.549 0.013 8.127 1.00 0.00 H new ATOM 921 N SER A 894 9.007 1.939 7.653 1.00 0.00 N ATOM 922 CA SER A 894 10.432 2.045 7.413 1.00 0.00 C ATOM 923 C SER A 894 10.683 2.474 5.975 1.00 0.00 C ATOM 924 O SER A 894 9.768 2.470 5.154 1.00 0.00 O ATOM 925 CB SER A 894 11.098 0.703 7.701 1.00 0.00 C ATOM 926 OG SER A 894 11.556 0.682 9.034 1.00 0.00 O ATOM 0 H SER A 894 8.607 2.725 8.165 1.00 0.00 H new ATOM 0 HA SER A 894 10.860 2.797 8.075 1.00 0.00 H new ATOM 0 HB2 SER A 894 10.390 -0.109 7.536 1.00 0.00 H new ATOM 0 HB3 SER A 894 11.931 0.544 7.016 1.00 0.00 H new ATOM 0 HG SER A 894 11.982 -0.181 9.220 1.00 0.00 H new ATOM 932 N ARG A 895 11.929 2.845 5.670 1.00 0.00 N ATOM 933 CA ARG A 895 12.294 3.274 4.335 1.00 0.00 C ATOM 934 C ARG A 895 13.719 2.836 4.024 1.00 0.00 C ATOM 935 O ARG A 895 14.052 2.573 2.871 1.00 0.00 O ATOM 936 CB ARG A 895 12.162 4.791 4.235 1.00 0.00 C ATOM 937 CG ARG A 895 12.991 5.447 5.335 1.00 0.00 C ATOM 938 CD ARG A 895 13.308 6.887 4.942 1.00 0.00 C ATOM 939 NE ARG A 895 13.018 7.808 6.041 1.00 0.00 N ATOM 940 CZ ARG A 895 13.790 7.901 7.133 1.00 0.00 C ATOM 941 NH1 ARG A 895 14.881 7.132 7.250 1.00 0.00 N ATOM 942 NH2 ARG A 895 13.471 8.764 8.107 1.00 0.00 N ATOM 0 H ARG A 895 12.699 2.854 6.339 1.00 0.00 H new ATOM 0 HA ARG A 895 11.626 2.815 3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 895 12.501 5.133 3.257 1.00 0.00 H new ATOM 0 HB3 ARG A 895 11.116 5.083 4.330 1.00 0.00 H new ATOM 0 HG2 ARG A 895 12.444 5.428 6.278 1.00 0.00 H new ATOM 0 HG3 ARG A 895 13.915 4.889 5.491 1.00 0.00 H new ATOM 0 HD2 ARG A 895 14.358 6.968 4.663 1.00 0.00 H new ATOM 0 HD3 ARG A 895 12.723 7.166 4.066 1.00 0.00 H new ATOM 0 HE ARG A 895 12.193 8.405 5.974 1.00 0.00 H new ATOM 0 HH11 ARG A 895 15.124 6.476 6.508 1.00 0.00 H new ATOM 0 HH12 ARG A 895 15.468 7.203 8.081 1.00 0.00 H new ATOM 0 HH21 ARG A 895 12.641 9.350 8.017 1.00 0.00 H new ATOM 0 HH22 ARG A 895 14.058 8.835 8.938 1.00 0.00 H new ATOM 956 N ASP A 896 14.560 2.758 5.058 1.00 0.00 N ATOM 957 CA ASP A 896 15.941 2.354 4.890 1.00 0.00 C ATOM 958 C ASP A 896 16.131 1.724 3.517 1.00 0.00 C ATOM 959 O ASP A 896 16.681 2.351 2.615 1.00 0.00 O ATOM 960 CB ASP A 896 16.321 1.370 5.993 1.00 0.00 C ATOM 961 CG ASP A 896 15.115 0.549 6.427 1.00 0.00 C ATOM 962 OD1 ASP A 896 14.112 1.180 6.824 1.00 0.00 O ATOM 963 OD2 ASP A 896 15.219 -0.695 6.353 1.00 0.00 O ATOM 0 H ASP A 896 14.299 2.972 6.020 1.00 0.00 H new ATOM 0 HA ASP A 896 16.590 3.227 4.961 1.00 0.00 H new ATOM 0 HB2 ASP A 896 17.109 0.706 5.638 1.00 0.00 H new ATOM 0 HB3 ASP A 896 16.723 1.913 6.848 1.00 0.00 H new ATOM 968 N LYS A 897 15.672 0.480 3.361 1.00 0.00 N ATOM 969 CA LYS A 897 15.794 -0.225 2.100 1.00 0.00 C ATOM 970 C LYS A 897 15.717 0.762 0.945 1.00 0.00 C ATOM 971 O LYS A 897 16.360 0.569 -0.084 1.00 0.00 O ATOM 972 CB LYS A 897 14.686 -1.269 1.993 1.00 0.00 C ATOM 973 CG LYS A 897 13.746 -1.137 3.188 1.00 0.00 C ATOM 974 CD LYS A 897 12.770 0.011 2.943 1.00 0.00 C ATOM 975 CE LYS A 897 12.151 0.445 4.269 1.00 0.00 C ATOM 976 NZ LYS A 897 10.750 0.853 4.088 1.00 0.00 N ATOM 0 H LYS A 897 15.213 -0.054 4.099 1.00 0.00 H new ATOM 0 HA LYS A 897 16.759 -0.730 2.055 1.00 0.00 H new ATOM 0 HB2 LYS A 897 14.132 -1.133 1.064 1.00 0.00 H new ATOM 0 HB3 LYS A 897 15.116 -2.270 1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 897 13.199 -2.068 3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 897 14.319 -0.954 4.097 1.00 0.00 H new ATOM 0 HD2 LYS A 897 13.288 0.850 2.480 1.00 0.00 H new ATOM 0 HD3 LYS A 897 11.989 -0.303 2.250 1.00 0.00 H new ATOM 0 HE2 LYS A 897 12.205 -0.375 4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 897 12.723 1.273 4.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 897 10.212 0.641 4.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 897 10.708 1.874 3.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 897 10.338 0.333 3.288 1.00 0.00 H new ATOM 990 N ASN A 898 14.926 1.825 1.117 1.00 0.00 N ATOM 991 CA ASN A 898 14.771 2.835 0.090 1.00 0.00 C ATOM 992 C ASN A 898 14.204 4.110 0.697 1.00 0.00 C ATOM 993 O ASN A 898 12.996 4.224 0.892 1.00 0.00 O ATOM 994 CB ASN A 898 13.853 2.304 -1.008 1.00 0.00 C ATOM 995 CG ASN A 898 14.271 2.838 -2.370 1.00 0.00 C ATOM 996 OD1 ASN A 898 15.432 3.183 -2.574 1.00 0.00 O ATOM 997 ND2 ASN A 898 13.320 2.903 -3.305 1.00 0.00 N ATOM 0 H ASN A 898 14.385 2.000 1.964 1.00 0.00 H new ATOM 0 HA ASN A 898 15.743 3.067 -0.346 1.00 0.00 H new ATOM 0 HB2 ASN A 898 13.881 1.214 -1.016 1.00 0.00 H new ATOM 0 HB3 ASN A 898 12.823 2.595 -0.799 1.00 0.00 H new ATOM 0 HD21 ASN A 898 13.544 3.251 -4.237 1.00 0.00 H new ATOM 0 HD22 ASN A 898 12.369 2.604 -3.087 1.00 0.00 H new ATOM 1004 N PRO A 899 15.081 5.071 0.996 1.00 0.00 N ATOM 1005 CA PRO A 899 14.726 6.348 1.576 1.00 0.00 C ATOM 1006 C PRO A 899 14.032 7.209 0.530 1.00 0.00 C ATOM 1007 O PRO A 899 13.463 8.247 0.856 1.00 0.00 O ATOM 1008 CB PRO A 899 16.055 6.968 2.002 1.00 0.00 C ATOM 1009 CG PRO A 899 17.040 6.386 0.988 1.00 0.00 C ATOM 1010 CD PRO A 899 16.508 4.970 0.780 1.00 0.00 C ATOM 0 HA PRO A 899 14.040 6.255 2.418 1.00 0.00 H new ATOM 0 HB2 PRO A 899 16.026 8.057 1.959 1.00 0.00 H new ATOM 0 HB3 PRO A 899 16.319 6.697 3.024 1.00 0.00 H new ATOM 0 HG2 PRO A 899 17.049 6.956 0.059 1.00 0.00 H new ATOM 0 HG3 PRO A 899 18.061 6.383 1.370 1.00 0.00 H new ATOM 0 HD2 PRO A 899 16.731 4.608 -0.224 1.00 0.00 H new ATOM 0 HD3 PRO A 899 16.965 4.270 1.480 1.00 0.00 H new ATOM 1018 N ALA A 900 14.083 6.774 -0.731 1.00 0.00 N ATOM 1019 CA ALA A 900 13.464 7.507 -1.818 1.00 0.00 C ATOM 1020 C ALA A 900 12.008 7.086 -1.958 1.00 0.00 C ATOM 1021 O ALA A 900 11.294 7.592 -2.822 1.00 0.00 O ATOM 1022 CB ALA A 900 14.231 7.242 -3.110 1.00 0.00 C ATOM 0 H ALA A 900 14.550 5.914 -1.017 1.00 0.00 H new ATOM 0 HA ALA A 900 13.494 8.576 -1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 900 13.767 7.792 -3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 900 15.264 7.569 -2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 900 14.211 6.175 -3.333 1.00 0.00 H new ATOM 1028 N ALA A 901 11.568 6.157 -1.106 1.00 0.00 N ATOM 1029 CA ALA A 901 10.203 5.673 -1.140 1.00 0.00 C ATOM 1030 C ALA A 901 9.362 6.429 -0.121 1.00 0.00 C ATOM 1031 O ALA A 901 9.708 7.543 0.268 1.00 0.00 O ATOM 1032 CB ALA A 901 10.188 4.176 -0.850 1.00 0.00 C ATOM 0 H ALA A 901 12.147 5.729 -0.384 1.00 0.00 H new ATOM 0 HA ALA A 901 9.777 5.842 -2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 901 9.161 3.811 -0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 901 10.778 3.654 -1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 901 10.614 3.992 0.136 1.00 0.00 H new ATOM 1038 N GLN A 902 8.255 5.821 0.311 1.00 0.00 N ATOM 1039 CA GLN A 902 7.373 6.440 1.280 1.00 0.00 C ATOM 1040 C GLN A 902 7.187 5.514 2.475 1.00 0.00 C ATOM 1041 O GLN A 902 6.946 4.321 2.306 1.00 0.00 O ATOM 1042 CB GLN A 902 6.032 6.747 0.621 1.00 0.00 C ATOM 1043 CG GLN A 902 6.108 8.097 -0.085 1.00 0.00 C ATOM 1044 CD GLN A 902 6.594 9.181 0.867 1.00 0.00 C ATOM 1045 OE1 GLN A 902 7.201 10.160 0.439 1.00 0.00 O ATOM 1046 NE2 GLN A 902 6.326 9.002 2.163 1.00 0.00 N ATOM 0 H GLN A 902 7.955 4.898 -0.001 1.00 0.00 H new ATOM 0 HA GLN A 902 7.812 7.373 1.634 1.00 0.00 H new ATOM 0 HB2 GLN A 902 5.779 5.965 -0.094 1.00 0.00 H new ATOM 0 HB3 GLN A 902 5.241 6.761 1.371 1.00 0.00 H new ATOM 0 HG2 GLN A 902 6.782 8.028 -0.939 1.00 0.00 H new ATOM 0 HG3 GLN A 902 5.126 8.364 -0.475 1.00 0.00 H new ATOM 0 HE21 GLN A 902 5.819 8.172 2.469 1.00 0.00 H new ATOM 0 HE22 GLN A 902 6.629 9.696 2.847 1.00 0.00 H new ATOM 1055 N GLN A 903 7.300 6.068 3.684 1.00 0.00 N ATOM 1056 CA GLN A 903 7.145 5.291 4.897 1.00 0.00 C ATOM 1057 C GLN A 903 5.683 5.283 5.322 1.00 0.00 C ATOM 1058 O GLN A 903 5.343 5.783 6.393 1.00 0.00 O ATOM 1059 CB GLN A 903 8.024 5.884 5.995 1.00 0.00 C ATOM 1060 CG GLN A 903 9.481 5.517 5.735 1.00 0.00 C ATOM 1061 CD GLN A 903 10.341 6.765 5.605 1.00 0.00 C ATOM 1062 OE1 GLN A 903 10.890 7.249 6.593 1.00 0.00 O ATOM 1063 NE2 GLN A 903 10.457 7.288 4.382 1.00 0.00 N ATOM 0 H GLN A 903 7.499 7.056 3.840 1.00 0.00 H new ATOM 0 HA GLN A 903 7.455 4.262 4.717 1.00 0.00 H new ATOM 0 HB2 GLN A 903 7.910 6.968 6.021 1.00 0.00 H new ATOM 0 HB3 GLN A 903 7.711 5.507 6.969 1.00 0.00 H new ATOM 0 HG2 GLN A 903 9.855 4.896 6.549 1.00 0.00 H new ATOM 0 HG3 GLN A 903 9.554 4.924 4.823 1.00 0.00 H new ATOM 0 HE21 GLN A 903 9.982 6.850 3.593 1.00 0.00 H new ATOM 0 HE22 GLN A 903 11.021 8.126 4.237 1.00 0.00 H new ATOM 1072 N VAL A 904 4.818 4.713 4.480 1.00 0.00 N ATOM 1073 CA VAL A 904 3.400 4.642 4.771 1.00 0.00 C ATOM 1074 C VAL A 904 3.118 3.446 5.669 1.00 0.00 C ATOM 1075 O VAL A 904 4.005 2.632 5.917 1.00 0.00 O ATOM 1076 CB VAL A 904 2.618 4.535 3.465 1.00 0.00 C ATOM 1077 CG1 VAL A 904 3.538 4.863 2.293 1.00 0.00 C ATOM 1078 CG2 VAL A 904 2.082 3.115 3.309 1.00 0.00 C ATOM 0 H VAL A 904 5.085 4.294 3.589 1.00 0.00 H new ATOM 0 HA VAL A 904 3.086 5.546 5.293 1.00 0.00 H new ATOM 0 HB VAL A 904 1.785 5.238 3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 904 2.980 4.787 1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 904 3.922 5.877 2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 904 4.371 4.160 2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 904 1.523 3.037 2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 904 2.914 2.412 3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 904 1.425 2.880 4.146 1.00 0.00 H new ATOM 1088 N SER A 905 1.880 3.341 6.155 1.00 0.00 N ATOM 1089 CA SER A 905 1.489 2.245 7.019 1.00 0.00 C ATOM 1090 C SER A 905 0.216 1.599 6.490 1.00 0.00 C ATOM 1091 O SER A 905 -0.197 1.866 5.364 1.00 0.00 O ATOM 1092 CB SER A 905 1.282 2.767 8.438 1.00 0.00 C ATOM 1093 OG SER A 905 1.955 1.928 9.350 1.00 0.00 O ATOM 0 H SER A 905 1.134 4.009 5.959 1.00 0.00 H new ATOM 0 HA SER A 905 2.275 1.490 7.034 1.00 0.00 H new ATOM 0 HB2 SER A 905 1.658 3.787 8.520 1.00 0.00 H new ATOM 0 HB3 SER A 905 0.218 2.799 8.674 1.00 0.00 H new ATOM 0 HG SER A 905 1.824 2.264 10.261 1.00 0.00 H new ATOM 1099 N PRO A 906 -0.405 0.746 7.308 1.00 0.00 N ATOM 1100 CA PRO A 906 -1.626 0.042 6.978 1.00 0.00 C ATOM 1101 C PRO A 906 -2.796 1.015 6.988 1.00 0.00 C ATOM 1102 O PRO A 906 -3.806 0.781 6.329 1.00 0.00 O ATOM 1103 CB PRO A 906 -1.779 -1.011 8.074 1.00 0.00 C ATOM 1104 CG PRO A 906 -1.110 -0.346 9.277 1.00 0.00 C ATOM 1105 CD PRO A 906 0.053 0.409 8.638 1.00 0.00 C ATOM 0 HA PRO A 906 -1.599 -0.412 5.987 1.00 0.00 H new ATOM 0 HB2 PRO A 906 -2.826 -1.242 8.270 1.00 0.00 H new ATOM 0 HB3 PRO A 906 -1.291 -1.948 7.806 1.00 0.00 H new ATOM 0 HG2 PRO A 906 -1.791 0.326 9.799 1.00 0.00 H new ATOM 0 HG3 PRO A 906 -0.765 -1.080 10.006 1.00 0.00 H new ATOM 0 HD2 PRO A 906 0.303 1.304 9.208 1.00 0.00 H new ATOM 0 HD3 PRO A 906 0.951 -0.207 8.602 1.00 0.00 H new ATOM 1113 N GLU A 907 -2.658 2.109 7.741 1.00 0.00 N ATOM 1114 CA GLU A 907 -3.704 3.108 7.832 1.00 0.00 C ATOM 1115 C GLU A 907 -3.729 3.950 6.564 1.00 0.00 C ATOM 1116 O GLU A 907 -4.779 4.457 6.173 1.00 0.00 O ATOM 1117 CB GLU A 907 -3.465 3.984 9.058 1.00 0.00 C ATOM 1118 CG GLU A 907 -3.338 3.101 10.297 1.00 0.00 C ATOM 1119 CD GLU A 907 -2.048 3.399 11.047 1.00 0.00 C ATOM 1120 OE1 GLU A 907 -1.010 3.527 10.363 1.00 0.00 O ATOM 1121 OE2 GLU A 907 -2.124 3.494 12.291 1.00 0.00 O ATOM 0 H GLU A 907 -1.827 2.318 8.294 1.00 0.00 H new ATOM 0 HA GLU A 907 -4.671 2.616 7.935 1.00 0.00 H new ATOM 0 HB2 GLU A 907 -2.559 4.575 8.925 1.00 0.00 H new ATOM 0 HB3 GLU A 907 -4.289 4.687 9.182 1.00 0.00 H new ATOM 0 HG2 GLU A 907 -4.192 3.265 10.954 1.00 0.00 H new ATOM 0 HG3 GLU A 907 -3.359 2.051 10.004 1.00 0.00 H new ATOM 1128 N TRP A 908 -2.569 4.100 5.921 1.00 0.00 N ATOM 1129 CA TRP A 908 -2.468 4.877 4.703 1.00 0.00 C ATOM 1130 C TRP A 908 -3.241 4.191 3.585 1.00 0.00 C ATOM 1131 O TRP A 908 -3.996 4.837 2.862 1.00 0.00 O ATOM 1132 CB TRP A 908 -0.999 5.039 4.324 1.00 0.00 C ATOM 1133 CG TRP A 908 -0.753 5.840 3.086 1.00 0.00 C ATOM 1134 CD1 TRP A 908 -0.721 7.189 3.022 1.00 0.00 C ATOM 1135 CD2 TRP A 908 -0.503 5.371 1.725 1.00 0.00 C ATOM 1136 NE1 TRP A 908 -0.470 7.584 1.725 1.00 0.00 N ATOM 1137 CE2 TRP A 908 -0.327 6.501 0.882 1.00 0.00 C ATOM 1138 CE3 TRP A 908 -0.407 4.106 1.118 1.00 0.00 C ATOM 1139 CZ2 TRP A 908 -0.071 6.385 -0.487 1.00 0.00 C ATOM 1140 CZ3 TRP A 908 -0.151 3.978 -0.255 1.00 0.00 C ATOM 1141 CH2 TRP A 908 0.017 5.112 -1.058 1.00 0.00 C ATOM 0 H TRP A 908 -1.689 3.689 6.232 1.00 0.00 H new ATOM 0 HA TRP A 908 -2.900 5.865 4.862 1.00 0.00 H new ATOM 0 HB2 TRP A 908 -0.474 5.511 5.155 1.00 0.00 H new ATOM 0 HB3 TRP A 908 -0.562 4.049 4.192 1.00 0.00 H new ATOM 0 HD1 TRP A 908 -0.869 7.856 3.858 1.00 0.00 H new ATOM 0 HE1 TRP A 908 -0.399 8.557 1.426 1.00 0.00 H new ATOM 0 HE3 TRP A 908 -0.533 3.218 1.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 908 0.057 7.268 -1.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 908 -0.083 2.995 -0.697 1.00 0.00 H new ATOM 0 HH2 TRP A 908 0.214 5.004 -2.114 1.00 0.00 H new ATOM 1152 N ILE A 909 -3.050 2.877 3.446 1.00 0.00 N ATOM 1153 CA ILE A 909 -3.728 2.108 2.422 1.00 0.00 C ATOM 1154 C ILE A 909 -5.231 2.335 2.517 1.00 0.00 C ATOM 1155 O ILE A 909 -5.871 2.686 1.529 1.00 0.00 O ATOM 1156 CB ILE A 909 -3.392 0.629 2.590 1.00 0.00 C ATOM 1157 CG1 ILE A 909 -2.187 0.279 1.721 1.00 0.00 C ATOM 1158 CG2 ILE A 909 -4.589 -0.216 2.163 1.00 0.00 C ATOM 1159 CD1 ILE A 909 -1.099 -0.347 2.589 1.00 0.00 C ATOM 0 H ILE A 909 -2.426 2.329 4.038 1.00 0.00 H new ATOM 0 HA ILE A 909 -3.393 2.432 1.437 1.00 0.00 H new ATOM 0 HB ILE A 909 -3.158 0.426 3.635 1.00 0.00 H new ATOM 0 HG12 ILE A 909 -2.482 -0.414 0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 909 -1.806 1.175 1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 909 -4.350 -1.273 2.283 1.00 0.00 H new ATOM 0 HG22 ILE A 909 -5.450 0.034 2.783 1.00 0.00 H new ATOM 0 HG23 ILE A 909 -4.823 -0.013 1.118 1.00 0.00 H new ATOM 0 HD11 ILE A 909 -0.238 -0.597 1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 909 -0.797 0.361 3.361 1.00 0.00 H new ATOM 0 HD13 ILE A 909 -1.484 -1.253 3.058 1.00 0.00 H new ATOM 1171 N TRP A 910 -5.793 2.134 3.711 1.00 0.00 N ATOM 1172 CA TRP A 910 -7.214 2.320 3.924 1.00 0.00 C ATOM 1173 C TRP A 910 -7.593 3.770 3.658 1.00 0.00 C ATOM 1174 O TRP A 910 -8.361 4.055 2.743 1.00 0.00 O ATOM 1175 CB TRP A 910 -7.569 1.922 5.354 1.00 0.00 C ATOM 1176 CG TRP A 910 -6.933 0.656 5.832 1.00 0.00 C ATOM 1177 CD1 TRP A 910 -6.197 0.529 6.957 1.00 0.00 C ATOM 1178 CD2 TRP A 910 -6.960 -0.670 5.221 1.00 0.00 C ATOM 1179 NE1 TRP A 910 -5.768 -0.775 7.084 1.00 0.00 N ATOM 1180 CE2 TRP A 910 -6.211 -1.560 6.038 1.00 0.00 C ATOM 1181 CE3 TRP A 910 -7.539 -1.212 4.060 1.00 0.00 C ATOM 1182 CZ2 TRP A 910 -6.046 -2.911 5.723 1.00 0.00 C ATOM 1183 CZ3 TRP A 910 -7.380 -2.567 3.735 1.00 0.00 C ATOM 1184 CH2 TRP A 910 -6.635 -3.417 4.561 1.00 0.00 C ATOM 0 H TRP A 910 -5.277 1.842 4.541 1.00 0.00 H new ATOM 0 HA TRP A 910 -7.774 1.688 3.234 1.00 0.00 H new ATOM 0 HB2 TRP A 910 -7.280 2.732 6.023 1.00 0.00 H new ATOM 0 HB3 TRP A 910 -8.651 1.818 5.429 1.00 0.00 H new ATOM 0 HD1 TRP A 910 -5.978 1.327 7.651 1.00 0.00 H new ATOM 0 HE1 TRP A 910 -5.195 -1.117 7.855 1.00 0.00 H new ATOM 0 HE3 TRP A 910 -8.116 -0.574 3.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 910 -5.470 -3.557 6.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 910 -7.837 -2.959 2.838 1.00 0.00 H new ATOM 0 HH2 TRP A 910 -6.516 -4.459 4.302 1.00 0.00 H new ATOM 1195 N ALA A 911 -7.050 4.686 4.462 1.00 0.00 N ATOM 1196 CA ALA A 911 -7.333 6.100 4.311 1.00 0.00 C ATOM 1197 C ALA A 911 -7.179 6.503 2.852 1.00 0.00 C ATOM 1198 O ALA A 911 -7.926 7.344 2.356 1.00 0.00 O ATOM 1199 CB ALA A 911 -6.386 6.904 5.197 1.00 0.00 C ATOM 0 H ALA A 911 -6.410 4.465 5.225 1.00 0.00 H new ATOM 0 HA ALA A 911 -8.359 6.305 4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 911 -6.597 7.967 5.085 1.00 0.00 H new ATOM 0 HB2 ALA A 911 -6.528 6.614 6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 911 -5.356 6.706 4.902 1.00 0.00 H new ATOM 1205 N CYS A 912 -6.206 5.900 2.164 1.00 0.00 N ATOM 1206 CA CYS A 912 -5.956 6.194 0.768 1.00 0.00 C ATOM 1207 C CYS A 912 -7.060 5.587 -0.087 1.00 0.00 C ATOM 1208 O CYS A 912 -7.930 6.303 -0.577 1.00 0.00 O ATOM 1209 CB CYS A 912 -4.592 5.638 0.368 1.00 0.00 C ATOM 1210 SG CYS A 912 -3.305 6.596 1.206 1.00 0.00 S ATOM 0 H CYS A 912 -5.579 5.201 2.563 1.00 0.00 H new ATOM 0 HA CYS A 912 -5.951 7.273 0.611 1.00 0.00 H new ATOM 0 HB2 CYS A 912 -4.518 4.586 0.642 1.00 0.00 H new ATOM 0 HB3 CYS A 912 -4.463 5.696 -0.713 1.00 0.00 H new ATOM 0 HG CYS A 912 -2.135 6.141 0.867 1.00 0.00 H new ATOM 1216 N ILE A 913 -7.022 4.264 -0.265 1.00 0.00 N ATOM 1217 CA ILE A 913 -8.017 3.569 -1.056 1.00 0.00 C ATOM 1218 C ILE A 913 -9.401 4.119 -0.743 1.00 0.00 C ATOM 1219 O ILE A 913 -10.283 4.111 -1.599 1.00 0.00 O ATOM 1220 CB ILE A 913 -7.948 2.074 -0.760 1.00 0.00 C ATOM 1221 CG1 ILE A 913 -9.100 1.361 -1.463 1.00 0.00 C ATOM 1222 CG2 ILE A 913 -8.054 1.849 0.746 1.00 0.00 C ATOM 1223 CD1 ILE A 913 -8.831 -0.141 -1.485 1.00 0.00 C ATOM 0 HA ILE A 913 -7.818 3.725 -2.116 1.00 0.00 H new ATOM 0 HB ILE A 913 -7.000 1.676 -1.122 1.00 0.00 H new ATOM 0 HG12 ILE A 913 -10.038 1.566 -0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 913 -9.208 1.737 -2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 913 -8.005 0.781 0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 913 -7.231 2.357 1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 913 -9.002 2.248 1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 913 -9.653 -0.651 -1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 913 -7.902 -0.336 -2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 913 -8.745 -0.510 -0.463 1.00 0.00 H new ATOM 1235 N ARG A 914 -9.590 4.598 0.489 1.00 0.00 N ATOM 1236 CA ARG A 914 -10.863 5.147 0.909 1.00 0.00 C ATOM 1237 C ARG A 914 -11.041 6.542 0.327 1.00 0.00 C ATOM 1238 O ARG A 914 -12.141 6.914 -0.073 1.00 0.00 O ATOM 1239 CB ARG A 914 -10.921 5.187 2.434 1.00 0.00 C ATOM 1240 CG ARG A 914 -12.378 5.205 2.887 1.00 0.00 C ATOM 1241 CD ARG A 914 -12.462 5.753 4.309 1.00 0.00 C ATOM 1242 NE ARG A 914 -13.633 6.615 4.471 1.00 0.00 N ATOM 1243 CZ ARG A 914 -13.763 7.479 5.487 1.00 0.00 C ATOM 1244 NH1 ARG A 914 -12.795 7.582 6.408 1.00 0.00 N ATOM 1245 NH2 ARG A 914 -14.861 8.241 5.582 1.00 0.00 N ATOM 0 H ARG A 914 -8.868 4.613 1.210 1.00 0.00 H new ATOM 0 HA ARG A 914 -11.673 4.516 0.543 1.00 0.00 H new ATOM 0 HB2 ARG A 914 -10.410 4.319 2.851 1.00 0.00 H new ATOM 0 HB3 ARG A 914 -10.403 6.071 2.805 1.00 0.00 H new ATOM 0 HG2 ARG A 914 -12.972 5.822 2.213 1.00 0.00 H new ATOM 0 HG3 ARG A 914 -12.794 4.198 2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 914 -12.513 4.927 5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 914 -11.557 6.316 4.540 1.00 0.00 H new ATOM 0 HE ARG A 914 -14.382 6.556 3.781 1.00 0.00 H new ATOM 0 HH11 ARG A 914 -11.959 7.003 6.336 1.00 0.00 H new ATOM 0 HH12 ARG A 914 -12.895 8.240 7.181 1.00 0.00 H new ATOM 0 HH21 ARG A 914 -15.598 8.163 4.881 1.00 0.00 H new ATOM 0 HH22 ARG A 914 -14.960 8.899 6.355 1.00 0.00 H new ATOM 1259 N LYS A 915 -9.952 7.314 0.279 1.00 0.00 N ATOM 1260 CA LYS A 915 -9.995 8.660 -0.255 1.00 0.00 C ATOM 1261 C LYS A 915 -9.928 8.618 -1.775 1.00 0.00 C ATOM 1262 O LYS A 915 -10.089 9.642 -2.434 1.00 0.00 O ATOM 1263 CB LYS A 915 -8.833 9.469 0.315 1.00 0.00 C ATOM 1264 CG LYS A 915 -9.054 9.696 1.807 1.00 0.00 C ATOM 1265 CD LYS A 915 -10.081 10.807 2.007 1.00 0.00 C ATOM 1266 CE LYS A 915 -10.532 10.827 3.464 1.00 0.00 C ATOM 1267 NZ LYS A 915 -9.455 11.305 4.345 1.00 0.00 N ATOM 0 H LYS A 915 -9.032 7.021 0.607 1.00 0.00 H new ATOM 0 HA LYS A 915 -10.931 9.138 0.033 1.00 0.00 H new ATOM 0 HB2 LYS A 915 -7.894 8.941 0.152 1.00 0.00 H new ATOM 0 HB3 LYS A 915 -8.754 10.426 -0.201 1.00 0.00 H new ATOM 0 HG2 LYS A 915 -9.401 8.776 2.278 1.00 0.00 H new ATOM 0 HG3 LYS A 915 -8.113 9.965 2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 915 -9.648 11.770 1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 915 -10.938 10.647 1.352 1.00 0.00 H new ATOM 0 HE2 LYS A 915 -11.405 11.471 3.569 1.00 0.00 H new ATOM 0 HE3 LYS A 915 -10.837 9.825 3.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 915 -9.794 11.325 5.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 915 -8.638 10.665 4.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 915 -9.171 12.263 4.057 1.00 0.00 H new ATOM 1281 N ARG A 916 -9.689 7.427 -2.330 1.00 0.00 N ATOM 1282 CA ARG A 916 -9.601 7.257 -3.766 1.00 0.00 C ATOM 1283 C ARG A 916 -8.406 8.029 -4.304 1.00 0.00 C ATOM 1284 O ARG A 916 -8.159 8.034 -5.508 1.00 0.00 O ATOM 1285 CB ARG A 916 -10.895 7.742 -4.415 1.00 0.00 C ATOM 1286 CG ARG A 916 -11.948 6.641 -4.334 1.00 0.00 C ATOM 1287 CD ARG A 916 -12.294 6.374 -2.872 1.00 0.00 C ATOM 1288 NE ARG A 916 -12.850 7.569 -2.237 1.00 0.00 N ATOM 1289 CZ ARG A 916 -14.109 7.980 -2.441 1.00 0.00 C ATOM 1290 NH1 ARG A 916 -14.917 7.287 -3.254 1.00 0.00 N ATOM 1291 NH2 ARG A 916 -14.561 9.085 -1.831 1.00 0.00 N ATOM 0 H ARG A 916 -9.554 6.568 -1.796 1.00 0.00 H new ATOM 0 HA ARG A 916 -9.464 6.202 -4.004 1.00 0.00 H new ATOM 0 HB2 ARG A 916 -11.253 8.640 -3.911 1.00 0.00 H new ATOM 0 HB3 ARG A 916 -10.714 8.011 -5.456 1.00 0.00 H new ATOM 0 HG2 ARG A 916 -12.842 6.937 -4.882 1.00 0.00 H new ATOM 0 HG3 ARG A 916 -11.574 5.731 -4.802 1.00 0.00 H new ATOM 0 HD2 ARG A 916 -13.012 5.557 -2.808 1.00 0.00 H new ATOM 0 HD3 ARG A 916 -11.400 6.055 -2.336 1.00 0.00 H new ATOM 0 HE ARG A 916 -12.254 8.112 -1.613 1.00 0.00 H new ATOM 0 HH11 ARG A 916 -14.574 6.446 -3.718 1.00 0.00 H new ATOM 0 HH12 ARG A 916 -15.875 7.600 -3.409 1.00 0.00 H new ATOM 0 HH21 ARG A 916 -13.946 9.613 -1.211 1.00 0.00 H new ATOM 0 HH22 ARG A 916 -15.519 9.398 -1.987 1.00 0.00 H new ATOM 1305 N ARG A 917 -7.662 8.683 -3.408 1.00 0.00 N ATOM 1306 CA ARG A 917 -6.499 9.454 -3.797 1.00 0.00 C ATOM 1307 C ARG A 917 -5.440 9.374 -2.706 1.00 0.00 C ATOM 1308 O ARG A 917 -5.686 9.772 -1.570 1.00 0.00 O ATOM 1309 CB ARG A 917 -6.910 10.902 -4.046 1.00 0.00 C ATOM 1310 CG ARG A 917 -8.279 11.157 -3.422 1.00 0.00 C ATOM 1311 CD ARG A 917 -9.369 10.856 -4.447 1.00 0.00 C ATOM 1312 NE ARG A 917 -10.620 11.530 -4.098 1.00 0.00 N ATOM 1313 CZ ARG A 917 -11.582 11.785 -4.995 1.00 0.00 C ATOM 1314 NH1 ARG A 917 -11.421 11.418 -6.273 1.00 0.00 N ATOM 1315 NH2 ARG A 917 -12.705 12.409 -4.614 1.00 0.00 N ATOM 0 H ARG A 917 -7.853 8.688 -2.406 1.00 0.00 H new ATOM 0 HA ARG A 917 -6.078 9.047 -4.716 1.00 0.00 H new ATOM 0 HB2 ARG A 917 -6.171 11.580 -3.618 1.00 0.00 H new ATOM 0 HB3 ARG A 917 -6.944 11.103 -5.117 1.00 0.00 H new ATOM 0 HG2 ARG A 917 -8.411 10.530 -2.540 1.00 0.00 H new ATOM 0 HG3 ARG A 917 -8.352 12.193 -3.091 1.00 0.00 H new ATOM 0 HD2 ARG A 917 -9.042 11.178 -5.436 1.00 0.00 H new ATOM 0 HD3 ARG A 917 -9.535 9.780 -4.501 1.00 0.00 H new ATOM 0 HE ARG A 917 -10.766 11.818 -3.130 1.00 0.00 H new ATOM 0 HH11 ARG A 917 -10.566 10.944 -6.564 1.00 0.00 H new ATOM 0 HH12 ARG A 917 -12.154 11.612 -6.956 1.00 0.00 H new ATOM 0 HH21 ARG A 917 -12.827 12.690 -3.641 1.00 0.00 H new ATOM 0 HH22 ARG A 917 -13.437 12.603 -5.297 1.00 0.00 H new ATOM 1329 N LEU A 918 -4.259 8.859 -3.055 1.00 0.00 N ATOM 1330 CA LEU A 918 -3.170 8.731 -2.107 1.00 0.00 C ATOM 1331 C LEU A 918 -3.198 9.895 -1.127 1.00 0.00 C ATOM 1332 O LEU A 918 -3.215 11.054 -1.537 1.00 0.00 O ATOM 1333 CB LEU A 918 -1.843 8.689 -2.859 1.00 0.00 C ATOM 1334 CG LEU A 918 -1.617 7.286 -3.414 1.00 0.00 C ATOM 1335 CD1 LEU A 918 -2.589 6.314 -2.752 1.00 0.00 C ATOM 1336 CD2 LEU A 918 -1.852 7.292 -4.922 1.00 0.00 C ATOM 0 H LEU A 918 -4.040 8.525 -3.994 1.00 0.00 H new ATOM 0 HA LEU A 918 -3.282 7.805 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 918 -1.850 9.416 -3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 918 -1.026 8.964 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 918 -0.593 6.974 -3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 918 -2.428 5.312 -3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 918 -2.422 6.309 -1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 918 -3.613 6.626 -2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 918 -1.691 6.290 -5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 918 -2.875 7.604 -5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 918 -1.158 7.986 -5.396 1.00 0.00 H new ATOM 1348 N VAL A 919 -3.203 9.585 0.171 1.00 0.00 N ATOM 1349 CA VAL A 919 -3.229 10.603 1.201 1.00 0.00 C ATOM 1350 C VAL A 919 -1.832 10.792 1.774 1.00 0.00 C ATOM 1351 O VAL A 919 -0.847 10.398 1.154 1.00 0.00 O ATOM 1352 CB VAL A 919 -4.211 10.195 2.295 1.00 0.00 C ATOM 1353 CG1 VAL A 919 -5.247 9.235 1.717 1.00 0.00 C ATOM 1354 CG2 VAL A 919 -3.454 9.506 3.427 1.00 0.00 C ATOM 0 H VAL A 919 -3.189 8.629 0.526 1.00 0.00 H new ATOM 0 HA VAL A 919 -3.556 11.550 0.773 1.00 0.00 H new ATOM 0 HB VAL A 919 -4.714 11.082 2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 919 -5.949 8.943 2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 919 -5.788 9.727 0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 919 -4.745 8.348 1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 919 -4.155 9.214 4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 919 -2.951 8.619 3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 919 -2.714 10.192 3.840 1.00 0.00 H new ATOM 1364 N ALA A 920 -1.748 11.397 2.961 1.00 0.00 N ATOM 1365 CA ALA A 920 -0.474 11.635 3.609 1.00 0.00 C ATOM 1366 C ALA A 920 0.103 10.319 4.111 1.00 0.00 C ATOM 1367 O ALA A 920 -0.451 9.702 5.019 1.00 0.00 O ATOM 1368 CB ALA A 920 -0.667 12.616 4.763 1.00 0.00 C ATOM 0 H ALA A 920 -2.556 11.729 3.488 1.00 0.00 H new ATOM 0 HA ALA A 920 0.227 12.067 2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 920 0.291 12.796 5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 920 -1.061 13.557 4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 920 -1.369 12.196 5.484 1.00 0.00 H new ATOM 1374 N PRO A 921 1.218 9.889 3.517 1.00 0.00 N ATOM 1375 CA PRO A 921 1.907 8.664 3.863 1.00 0.00 C ATOM 1376 C PRO A 921 2.602 8.830 5.206 1.00 0.00 C ATOM 1377 O PRO A 921 3.324 9.802 5.418 1.00 0.00 O ATOM 1378 CB PRO A 921 2.923 8.457 2.742 1.00 0.00 C ATOM 1379 CG PRO A 921 3.244 9.886 2.308 1.00 0.00 C ATOM 1380 CD PRO A 921 1.895 10.589 2.447 1.00 0.00 C ATOM 0 HA PRO A 921 1.235 7.811 3.957 1.00 0.00 H new ATOM 0 HB2 PRO A 921 3.811 7.932 3.093 1.00 0.00 H new ATOM 0 HB3 PRO A 921 2.508 7.869 1.923 1.00 0.00 H new ATOM 0 HG2 PRO A 921 4.005 10.341 2.942 1.00 0.00 H new ATOM 0 HG3 PRO A 921 3.617 9.924 1.285 1.00 0.00 H new ATOM 0 HD2 PRO A 921 2.023 11.645 2.685 1.00 0.00 H new ATOM 0 HD3 PRO A 921 1.325 10.538 1.519 1.00 0.00 H new ATOM 1388 N CYS A 922 2.380 7.878 6.116 1.00 0.00 N ATOM 1389 CA CYS A 922 2.981 7.919 7.433 1.00 0.00 C ATOM 1390 C CYS A 922 2.024 8.585 8.411 1.00 0.00 C ATOM 1391 O CYS A 922 0.929 8.991 8.028 1.00 0.00 O ATOM 1392 CB CYS A 922 4.303 8.679 7.366 1.00 0.00 C ATOM 1393 SG CYS A 922 5.047 8.699 9.016 1.00 0.00 S ATOM 0 H CYS A 922 1.782 7.067 5.954 1.00 0.00 H new ATOM 0 HA CYS A 922 3.180 6.905 7.780 1.00 0.00 H new ATOM 0 HB2 CYS A 922 4.977 8.203 6.654 1.00 0.00 H new ATOM 0 HB3 CYS A 922 4.136 9.697 7.015 1.00 0.00 H new ATOM 0 HG CYS A 922 6.176 9.342 8.975 1.00 0.00 H new TER 1399 CYS A 922