USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=18 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 847 LEU H : A 847 LEU N : A 871 TYR OH :(H bumps) USER MOD NoAdj-H: A 890 HIS H : A 890 HIS N : A 855 ARG O :(H bumps) USER MOD Single : A 836 SER OG : rot 180:sc= 0.0346 USER MOD Single : A 840 THR OG1 : rot 180:sc= 0 USER MOD Single : A 842 CYS SG : rot -115:sc= -2.76! USER MOD Single : A 843 GLN : amide:sc= -0.338 K(o=-0.34,f=-3.2!) USER MOD Single : A 844 THR OG1 : rot 180:sc= 0 USER MOD Single : A 845 LYS NZ :NH3+ 142:sc= -12.7! (180deg=-14.3!) USER MOD Single : A 852 THR OG1 : rot 180:sc= 0 USER MOD Single : A 857 TYR OH : rot 180:sc= -0.42 USER MOD Single : A 861 SER OG : rot 180:sc= 0 USER MOD Single : A 862 THR OG1 : rot 106:sc= -12.3! USER MOD Single : A 866 SER OG : rot 180:sc= 0 USER MOD Single : A 881 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 885 MET CE :methyl -142:sc= -35.2! (180deg=-42!) USER MOD Single : A 886 THR OG1 : rot 180:sc= -0.401 USER MOD Single : A 887 SER OG : rot 180:sc= 0 USER MOD Single : A 890 HIS : no HD1:sc= -21.7! C(o=-22!,f=-26!) USER MOD Single : A 894 SER OG : rot 180:sc= -0.0113 USER MOD Single : A 897 LYS NZ :NH3+ 162:sc= -20.2! (180deg=-21.9!) USER MOD Single : A 898 ASN : amide:sc= -17.7! C(o=-18!,f=-24!) USER MOD Single : A 902 GLN : amide:sc= -2.29 K(o=-2.3,f=-0.67) USER MOD Single : A 903 GLN : amide:sc= -13.1! C(o=-13!,f=-14!) USER MOD Single : A 905 SER OG : rot -119:sc= -4.98! USER MOD Single : A 912 CYS SG : rot 180:sc= -16.8! USER MOD Single : A 915 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 922 CYS SG : rot 180:sc= -0.014 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 835 -13.740 -2.827 12.038 1.00 0.00 N ATOM 2 CA GLY A 835 -14.444 -1.622 11.646 1.00 0.00 C ATOM 3 C GLY A 835 -13.621 -0.835 10.636 1.00 0.00 C ATOM 4 O GLY A 835 -13.190 0.281 10.917 1.00 0.00 O ATOM 0 HA2 GLY A 835 -15.411 -1.881 11.215 1.00 0.00 H new ATOM 0 HA3 GLY A 835 -14.641 -1.006 12.523 1.00 0.00 H new ATOM 8 N SER A 836 -13.404 -1.420 9.456 1.00 0.00 N ATOM 9 CA SER A 836 -12.636 -0.772 8.412 1.00 0.00 C ATOM 10 C SER A 836 -12.607 -1.652 7.170 1.00 0.00 C ATOM 11 O SER A 836 -13.579 -1.702 6.419 1.00 0.00 O ATOM 12 CB SER A 836 -11.221 -0.501 8.916 1.00 0.00 C ATOM 13 OG SER A 836 -10.788 -1.587 9.705 1.00 0.00 O ATOM 0 H SER A 836 -13.754 -2.345 9.207 1.00 0.00 H new ATOM 0 HA SER A 836 -13.102 0.178 8.149 1.00 0.00 H new ATOM 0 HB2 SER A 836 -10.545 -0.357 8.074 1.00 0.00 H new ATOM 0 HB3 SER A 836 -11.202 0.418 9.501 1.00 0.00 H new ATOM 0 HG SER A 836 -9.879 -1.415 10.028 1.00 0.00 H new ATOM 19 N ALA A 837 -11.488 -2.348 6.956 1.00 0.00 N ATOM 20 CA ALA A 837 -11.338 -3.221 5.809 1.00 0.00 C ATOM 21 C ALA A 837 -12.663 -3.906 5.506 1.00 0.00 C ATOM 22 O ALA A 837 -13.244 -3.695 4.444 1.00 0.00 O ATOM 23 CB ALA A 837 -10.249 -4.251 6.094 1.00 0.00 C ATOM 0 H ALA A 837 -10.674 -2.318 7.570 1.00 0.00 H new ATOM 0 HA ALA A 837 -11.047 -2.636 4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -10.135 -4.908 5.232 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -9.306 -3.740 6.287 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -10.527 -4.842 6.967 1.00 0.00 H new ATOM 29 N ASP A 838 -13.140 -4.729 6.443 1.00 0.00 N ATOM 30 CA ASP A 838 -14.391 -5.440 6.271 1.00 0.00 C ATOM 31 C ASP A 838 -15.449 -4.495 5.721 1.00 0.00 C ATOM 32 O ASP A 838 -16.346 -4.919 4.995 1.00 0.00 O ATOM 33 CB ASP A 838 -14.831 -6.025 7.610 1.00 0.00 C ATOM 34 CG ASP A 838 -13.792 -7.000 8.145 1.00 0.00 C ATOM 35 OD1 ASP A 838 -12.591 -6.677 8.017 1.00 0.00 O ATOM 36 OD2 ASP A 838 -14.218 -8.051 8.671 1.00 0.00 O ATOM 0 H ASP A 838 -12.670 -4.914 7.329 1.00 0.00 H new ATOM 0 HA ASP A 838 -14.256 -6.255 5.560 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -14.985 -5.221 8.329 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -15.787 -6.535 7.492 1.00 0.00 H new ATOM 41 N GLU A 839 -15.344 -3.210 6.068 1.00 0.00 N ATOM 42 CA GLU A 839 -16.292 -2.216 5.605 1.00 0.00 C ATOM 43 C GLU A 839 -15.799 -1.592 4.308 1.00 0.00 C ATOM 44 O GLU A 839 -16.598 -1.190 3.465 1.00 0.00 O ATOM 45 CB GLU A 839 -16.476 -1.151 6.682 1.00 0.00 C ATOM 46 CG GLU A 839 -17.783 -1.401 7.428 1.00 0.00 C ATOM 47 CD GLU A 839 -18.869 -0.445 6.956 1.00 0.00 C ATOM 48 OE1 GLU A 839 -18.707 0.768 7.209 1.00 0.00 O ATOM 49 OE2 GLU A 839 -19.842 -0.946 6.351 1.00 0.00 O ATOM 0 H GLU A 839 -14.607 -2.841 6.670 1.00 0.00 H new ATOM 0 HA GLU A 839 -17.254 -2.690 5.411 1.00 0.00 H new ATOM 0 HB2 GLU A 839 -15.638 -1.174 7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 839 -16.487 -0.159 6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 839 -18.105 -2.430 7.270 1.00 0.00 H new ATOM 0 HG3 GLU A 839 -17.624 -1.277 8.499 1.00 0.00 H new ATOM 56 N THR A 840 -14.476 -1.512 4.147 1.00 0.00 N ATOM 57 CA THR A 840 -13.887 -0.939 2.953 1.00 0.00 C ATOM 58 C THR A 840 -13.606 -2.035 1.936 1.00 0.00 C ATOM 59 O THR A 840 -14.286 -2.130 0.916 1.00 0.00 O ATOM 60 CB THR A 840 -12.603 -0.203 3.323 1.00 0.00 C ATOM 61 OG1 THR A 840 -12.921 0.954 4.064 1.00 0.00 O ATOM 62 CG2 THR A 840 -11.860 0.196 2.051 1.00 0.00 C ATOM 0 H THR A 840 -13.798 -1.840 4.835 1.00 0.00 H new ATOM 0 HA THR A 840 -14.583 -0.228 2.507 1.00 0.00 H new ATOM 0 HB THR A 840 -11.970 -0.857 3.923 1.00 0.00 H new ATOM 0 HG1 THR A 840 -12.096 1.426 4.303 1.00 0.00 H new ATOM 0 HG21 THR A 840 -10.943 0.722 2.315 1.00 0.00 H new ATOM 0 HG22 THR A 840 -11.614 -0.698 1.478 1.00 0.00 H new ATOM 0 HG23 THR A 840 -12.492 0.849 1.450 1.00 0.00 H new ATOM 70 N LEU A 841 -12.599 -2.866 2.216 1.00 0.00 N ATOM 71 CA LEU A 841 -12.233 -3.951 1.328 1.00 0.00 C ATOM 72 C LEU A 841 -13.445 -4.832 1.060 1.00 0.00 C ATOM 73 O LEU A 841 -13.347 -5.824 0.342 1.00 0.00 O ATOM 74 CB LEU A 841 -11.103 -4.763 1.956 1.00 0.00 C ATOM 75 CG LEU A 841 -10.634 -5.829 0.970 1.00 0.00 C ATOM 76 CD1 LEU A 841 -11.325 -7.153 1.286 1.00 0.00 C ATOM 77 CD2 LEU A 841 -10.986 -5.398 -0.451 1.00 0.00 C ATOM 0 H LEU A 841 -12.026 -2.800 3.057 1.00 0.00 H new ATOM 0 HA LEU A 841 -11.887 -3.545 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 841 -10.274 -4.107 2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 841 -11.446 -5.231 2.878 1.00 0.00 H new ATOM 0 HG LEU A 841 -9.554 -5.953 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 841 -10.991 -7.915 0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 841 -11.074 -7.461 2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 841 -12.405 -7.029 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 841 -10.651 -6.159 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 841 -12.066 -5.274 -0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 841 -10.493 -4.452 -0.677 1.00 0.00 H new ATOM 89 N CYS A 842 -14.589 -4.465 1.641 1.00 0.00 N ATOM 90 CA CYS A 842 -15.816 -5.216 1.465 1.00 0.00 C ATOM 91 C CYS A 842 -16.214 -5.206 -0.004 1.00 0.00 C ATOM 92 O CYS A 842 -17.148 -5.901 -0.399 1.00 0.00 O ATOM 93 CB CYS A 842 -16.915 -4.604 2.329 1.00 0.00 C ATOM 94 SG CYS A 842 -17.759 -3.320 1.373 1.00 0.00 S ATOM 0 H CYS A 842 -14.683 -3.645 2.240 1.00 0.00 H new ATOM 0 HA CYS A 842 -15.665 -6.250 1.775 1.00 0.00 H new ATOM 0 HB2 CYS A 842 -17.624 -5.372 2.638 1.00 0.00 H new ATOM 0 HB3 CYS A 842 -16.489 -4.179 3.238 1.00 0.00 H new ATOM 0 HG CYS A 842 -17.560 -2.163 1.930 1.00 0.00 H new ATOM 100 N GLN A 843 -15.505 -4.416 -0.813 1.00 0.00 N ATOM 101 CA GLN A 843 -15.790 -4.321 -2.231 1.00 0.00 C ATOM 102 C GLN A 843 -14.701 -5.029 -3.025 1.00 0.00 C ATOM 103 O GLN A 843 -14.202 -4.492 -4.012 1.00 0.00 O ATOM 104 CB GLN A 843 -15.883 -2.852 -2.632 1.00 0.00 C ATOM 105 CG GLN A 843 -16.499 -2.050 -1.489 1.00 0.00 C ATOM 106 CD GLN A 843 -17.810 -1.409 -1.920 1.00 0.00 C ATOM 107 OE1 GLN A 843 -18.106 -1.337 -3.111 1.00 0.00 O ATOM 108 NE2 GLN A 843 -18.597 -0.943 -0.948 1.00 0.00 N ATOM 0 H GLN A 843 -14.728 -3.834 -0.501 1.00 0.00 H new ATOM 0 HA GLN A 843 -16.742 -4.805 -2.448 1.00 0.00 H new ATOM 0 HB2 GLN A 843 -14.892 -2.465 -2.869 1.00 0.00 H new ATOM 0 HB3 GLN A 843 -16.489 -2.747 -3.532 1.00 0.00 H new ATOM 0 HG2 GLN A 843 -16.673 -2.703 -0.634 1.00 0.00 H new ATOM 0 HG3 GLN A 843 -15.802 -1.278 -1.164 1.00 0.00 H new ATOM 0 HE21 GLN A 843 -18.307 -1.026 0.027 1.00 0.00 H new ATOM 0 HE22 GLN A 843 -19.488 -0.504 -1.180 1.00 0.00 H new ATOM 117 N THR A 844 -14.334 -6.238 -2.594 1.00 0.00 N ATOM 118 CA THR A 844 -13.309 -7.008 -3.269 1.00 0.00 C ATOM 119 C THR A 844 -12.134 -6.108 -3.626 1.00 0.00 C ATOM 120 O THR A 844 -12.190 -5.370 -4.607 1.00 0.00 O ATOM 121 CB THR A 844 -13.899 -7.649 -4.522 1.00 0.00 C ATOM 122 OG1 THR A 844 -13.933 -9.049 -4.362 1.00 0.00 O ATOM 123 CG2 THR A 844 -13.034 -7.296 -5.729 1.00 0.00 C ATOM 0 H THR A 844 -14.738 -6.698 -1.778 1.00 0.00 H new ATOM 0 HA THR A 844 -12.948 -7.796 -2.608 1.00 0.00 H new ATOM 0 HB THR A 844 -14.911 -7.276 -4.679 1.00 0.00 H new ATOM 0 HG1 THR A 844 -14.313 -9.461 -5.166 1.00 0.00 H new ATOM 0 HG21 THR A 844 -13.455 -7.753 -6.624 1.00 0.00 H new ATOM 0 HG22 THR A 844 -13.007 -6.213 -5.853 1.00 0.00 H new ATOM 0 HG23 THR A 844 -12.022 -7.669 -5.573 1.00 0.00 H new ATOM 131 N LYS A 845 -11.068 -6.172 -2.825 1.00 0.00 N ATOM 132 CA LYS A 845 -9.888 -5.365 -3.061 1.00 0.00 C ATOM 133 C LYS A 845 -10.294 -3.986 -3.560 1.00 0.00 C ATOM 134 O LYS A 845 -9.444 -3.126 -3.777 1.00 0.00 O ATOM 135 CB LYS A 845 -8.989 -6.063 -4.077 1.00 0.00 C ATOM 136 CG LYS A 845 -8.194 -7.164 -3.381 1.00 0.00 C ATOM 137 CD LYS A 845 -9.149 -8.077 -2.617 1.00 0.00 C ATOM 138 CE LYS A 845 -9.185 -7.662 -1.149 1.00 0.00 C ATOM 139 NZ LYS A 845 -8.758 -8.767 -0.277 1.00 0.00 N ATOM 0 H LYS A 845 -11.006 -6.779 -2.007 1.00 0.00 H new ATOM 0 HA LYS A 845 -9.336 -5.244 -2.129 1.00 0.00 H new ATOM 0 HB2 LYS A 845 -9.591 -6.487 -4.881 1.00 0.00 H new ATOM 0 HB3 LYS A 845 -8.310 -5.343 -4.533 1.00 0.00 H new ATOM 0 HG2 LYS A 845 -7.632 -7.741 -4.115 1.00 0.00 H new ATOM 0 HG3 LYS A 845 -7.468 -6.726 -2.697 1.00 0.00 H new ATOM 0 HD2 LYS A 845 -10.149 -8.017 -3.047 1.00 0.00 H new ATOM 0 HD3 LYS A 845 -8.826 -9.114 -2.705 1.00 0.00 H new ATOM 0 HE2 LYS A 845 -8.535 -6.801 -0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 845 -10.195 -7.351 -0.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 -8.191 -8.390 0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 -9.595 -9.254 0.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 -8.185 -9.440 -0.825 1.00 0.00 H new ATOM 153 N VAL A 846 -11.601 -3.777 -3.741 1.00 0.00 N ATOM 154 CA VAL A 846 -12.114 -2.506 -4.212 1.00 0.00 C ATOM 155 C VAL A 846 -11.044 -1.788 -5.022 1.00 0.00 C ATOM 156 O VAL A 846 -11.264 -1.451 -6.183 1.00 0.00 O ATOM 157 CB VAL A 846 -12.549 -1.660 -3.019 1.00 0.00 C ATOM 158 CG1 VAL A 846 -12.907 -2.574 -1.850 1.00 0.00 C ATOM 159 CG2 VAL A 846 -11.407 -0.734 -2.609 1.00 0.00 C ATOM 0 H VAL A 846 -12.318 -4.480 -3.565 1.00 0.00 H new ATOM 0 HA VAL A 846 -12.978 -2.673 -4.855 1.00 0.00 H new ATOM 0 HB VAL A 846 -13.419 -1.064 -3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -13.218 -1.970 -0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -13.722 -3.236 -2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -12.037 -3.170 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -11.717 -0.129 -1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -10.537 -1.330 -2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -11.151 -0.081 -3.443 1.00 0.00 H new ATOM 169 N LEU A 847 -9.883 -1.553 -4.406 1.00 0.00 N ATOM 170 CA LEU A 847 -8.787 -0.877 -5.071 1.00 0.00 C ATOM 171 C LEU A 847 -9.093 0.609 -5.190 1.00 0.00 C ATOM 172 O LEU A 847 -9.280 1.289 -4.184 1.00 0.00 O ATOM 173 CB LEU A 847 -8.570 -1.497 -6.449 1.00 0.00 C ATOM 174 CG LEU A 847 -8.563 -3.018 -6.327 1.00 0.00 C ATOM 175 CD1 LEU A 847 -7.525 -3.441 -5.292 1.00 0.00 C ATOM 176 CD2 LEU A 847 -9.944 -3.499 -5.890 1.00 0.00 C ATOM 0 HA LEU A 847 -7.874 -0.993 -4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 847 -9.359 -1.180 -7.131 1.00 0.00 H new ATOM 0 HB3 LEU A 847 -7.626 -1.151 -6.871 1.00 0.00 H new ATOM 0 HG LEU A 847 -8.313 -3.459 -7.292 1.00 0.00 H new ATOM 0 HD11 LEU A 847 -7.520 -4.527 -5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 847 -6.539 -3.097 -5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 847 -7.774 -3.001 -4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 847 -9.940 -4.585 -5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 847 -10.194 -3.058 -4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 847 -10.685 -3.197 -6.630 1.00 0.00 H new ATOM 188 N LEU A 848 -9.143 1.112 -6.426 1.00 0.00 N ATOM 189 CA LEU A 848 -9.425 2.513 -6.670 1.00 0.00 C ATOM 190 C LEU A 848 -8.123 3.298 -6.736 1.00 0.00 C ATOM 191 O LEU A 848 -7.046 2.736 -6.552 1.00 0.00 O ATOM 192 CB LEU A 848 -10.326 3.051 -5.562 1.00 0.00 C ATOM 193 CG LEU A 848 -11.708 3.354 -6.133 1.00 0.00 C ATOM 194 CD1 LEU A 848 -12.730 3.391 -5.000 1.00 0.00 C ATOM 195 CD2 LEU A 848 -11.681 4.708 -6.838 1.00 0.00 C ATOM 0 H LEU A 848 -8.990 0.561 -7.271 1.00 0.00 H new ATOM 0 HA LEU A 848 -9.940 2.623 -7.624 1.00 0.00 H new ATOM 0 HB2 LEU A 848 -10.406 2.321 -4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 848 -9.892 3.954 -5.132 1.00 0.00 H new ATOM 0 HG LEU A 848 -11.985 2.578 -6.846 1.00 0.00 H new ATOM 0 HD11 LEU A 848 -13.717 3.607 -5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 848 -12.749 2.425 -4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 848 -12.454 4.167 -4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 848 -12.668 4.925 -7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 848 -11.404 5.484 -6.125 1.00 0.00 H new ATOM 0 HD23 LEU A 848 -10.951 4.682 -7.647 1.00 0.00 H new ATOM 207 N ASP A 849 -8.224 4.603 -6.998 1.00 0.00 N ATOM 208 CA ASP A 849 -7.057 5.458 -7.087 1.00 0.00 C ATOM 209 C ASP A 849 -6.559 5.796 -5.689 1.00 0.00 C ATOM 210 O ASP A 849 -6.310 6.959 -5.381 1.00 0.00 O ATOM 211 CB ASP A 849 -7.414 6.727 -7.855 1.00 0.00 C ATOM 212 CG ASP A 849 -7.772 6.405 -9.299 1.00 0.00 C ATOM 213 OD1 ASP A 849 -8.531 5.431 -9.493 1.00 0.00 O ATOM 214 OD2 ASP A 849 -7.279 7.139 -10.183 1.00 0.00 O ATOM 0 H ASP A 849 -9.110 5.085 -7.152 1.00 0.00 H new ATOM 0 HA ASP A 849 -6.260 4.939 -7.620 1.00 0.00 H new ATOM 0 HB2 ASP A 849 -8.253 7.226 -7.371 1.00 0.00 H new ATOM 0 HB3 ASP A 849 -6.573 7.420 -7.830 1.00 0.00 H new ATOM 219 N ILE A 850 -6.415 4.774 -4.841 1.00 0.00 N ATOM 220 CA ILE A 850 -5.947 4.965 -3.483 1.00 0.00 C ATOM 221 C ILE A 850 -4.479 5.367 -3.496 1.00 0.00 C ATOM 222 O ILE A 850 -4.151 6.534 -3.293 1.00 0.00 O ATOM 223 CB ILE A 850 -6.149 3.678 -2.690 1.00 0.00 C ATOM 224 CG1 ILE A 850 -7.638 3.470 -2.427 1.00 0.00 C ATOM 225 CG2 ILE A 850 -5.407 3.777 -1.360 1.00 0.00 C ATOM 226 CD1 ILE A 850 -8.405 3.562 -3.743 1.00 0.00 C ATOM 0 H ILE A 850 -6.619 3.804 -5.081 1.00 0.00 H new ATOM 0 HA ILE A 850 -6.517 5.762 -3.006 1.00 0.00 H new ATOM 0 HB ILE A 850 -5.760 2.835 -3.261 1.00 0.00 H new ATOM 0 HG12 ILE A 850 -7.804 2.497 -1.964 1.00 0.00 H new ATOM 0 HG13 ILE A 850 -8.003 4.222 -1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 850 -5.552 2.857 -0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 850 -4.343 3.925 -1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 850 -5.795 4.620 -0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 850 -9.468 3.413 -3.555 1.00 0.00 H new ATOM 0 HD12 ILE A 850 -8.249 4.545 -4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 850 -8.046 2.793 -4.428 1.00 0.00 H new ATOM 238 N PHE A 851 -3.593 4.397 -3.735 1.00 0.00 N ATOM 239 CA PHE A 851 -2.168 4.657 -3.773 1.00 0.00 C ATOM 240 C PHE A 851 -1.759 5.089 -5.174 1.00 0.00 C ATOM 241 O PHE A 851 -0.657 4.782 -5.624 1.00 0.00 O ATOM 242 CB PHE A 851 -1.412 3.400 -3.352 1.00 0.00 C ATOM 243 CG PHE A 851 -2.056 2.667 -2.199 1.00 0.00 C ATOM 244 CD1 PHE A 851 -3.085 1.750 -2.440 1.00 0.00 C ATOM 245 CD2 PHE A 851 -1.622 2.904 -0.889 1.00 0.00 C ATOM 246 CE1 PHE A 851 -3.681 1.069 -1.372 1.00 0.00 C ATOM 247 CE2 PHE A 851 -2.217 2.223 0.179 1.00 0.00 C ATOM 248 CZ PHE A 851 -3.246 1.305 -0.062 1.00 0.00 C ATOM 0 H PHE A 851 -3.847 3.424 -3.905 1.00 0.00 H new ATOM 0 HA PHE A 851 -1.922 5.462 -3.081 1.00 0.00 H new ATOM 0 HB2 PHE A 851 -1.340 2.726 -4.206 1.00 0.00 H new ATOM 0 HB3 PHE A 851 -0.394 3.674 -3.075 1.00 0.00 H new ATOM 0 HD1 PHE A 851 -3.420 1.568 -3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 851 -0.828 3.612 -0.703 1.00 0.00 H new ATOM 0 HE1 PHE A 851 -4.476 0.362 -1.558 1.00 0.00 H new ATOM 0 HE2 PHE A 851 -1.882 2.406 1.189 1.00 0.00 H new ATOM 0 HZ PHE A 851 -3.704 0.779 0.762 1.00 0.00 H new ATOM 258 N THR A 852 -2.650 5.804 -5.865 1.00 0.00 N ATOM 259 CA THR A 852 -2.373 6.273 -7.208 1.00 0.00 C ATOM 260 C THR A 852 -0.881 6.524 -7.372 1.00 0.00 C ATOM 261 O THR A 852 -0.347 7.488 -6.829 1.00 0.00 O ATOM 262 CB THR A 852 -3.168 7.548 -7.475 1.00 0.00 C ATOM 263 OG1 THR A 852 -3.681 7.515 -8.787 1.00 0.00 O ATOM 264 CG2 THR A 852 -2.255 8.760 -7.316 1.00 0.00 C ATOM 0 H THR A 852 -3.569 6.067 -5.508 1.00 0.00 H new ATOM 0 HA THR A 852 -2.674 5.514 -7.930 1.00 0.00 H new ATOM 0 HB THR A 852 -3.991 7.618 -6.764 1.00 0.00 H new ATOM 0 HG1 THR A 852 -4.193 8.333 -8.959 1.00 0.00 H new ATOM 0 HG21 THR A 852 -2.823 9.671 -7.507 1.00 0.00 H new ATOM 0 HG22 THR A 852 -1.858 8.786 -6.301 1.00 0.00 H new ATOM 0 HG23 THR A 852 -1.431 8.691 -8.026 1.00 0.00 H new ATOM 272 N GLY A 853 -0.207 5.652 -8.125 1.00 0.00 N ATOM 273 CA GLY A 853 1.218 5.786 -8.355 1.00 0.00 C ATOM 274 C GLY A 853 1.991 5.435 -7.091 1.00 0.00 C ATOM 275 O GLY A 853 3.012 4.753 -7.154 1.00 0.00 O ATOM 0 H GLY A 853 -0.634 4.847 -8.583 1.00 0.00 H new ATOM 0 HA2 GLY A 853 1.525 5.132 -9.171 1.00 0.00 H new ATOM 0 HA3 GLY A 853 1.450 6.806 -8.660 1.00 0.00 H new ATOM 279 N VAL A 854 1.502 5.905 -5.941 1.00 0.00 N ATOM 280 CA VAL A 854 2.146 5.640 -4.671 1.00 0.00 C ATOM 281 C VAL A 854 2.801 4.266 -4.702 1.00 0.00 C ATOM 282 O VAL A 854 2.115 3.252 -4.802 1.00 0.00 O ATOM 283 CB VAL A 854 1.114 5.722 -3.551 1.00 0.00 C ATOM 284 CG1 VAL A 854 1.376 4.614 -2.535 1.00 0.00 C ATOM 285 CG2 VAL A 854 1.218 7.079 -2.861 1.00 0.00 C ATOM 0 H VAL A 854 0.657 6.473 -5.873 1.00 0.00 H new ATOM 0 HA VAL A 854 2.920 6.386 -4.489 1.00 0.00 H new ATOM 0 HB VAL A 854 0.115 5.603 -3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 854 0.639 4.673 -1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 854 1.301 3.644 -3.027 1.00 0.00 H new ATOM 0 HG13 VAL A 854 2.376 4.733 -2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 854 0.480 7.138 -2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 854 2.217 7.199 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 854 1.030 7.871 -3.586 1.00 0.00 H new ATOM 295 N ARG A 855 4.133 4.236 -4.616 1.00 0.00 N ATOM 296 CA ARG A 855 4.872 2.990 -4.636 1.00 0.00 C ATOM 297 C ARG A 855 5.394 2.678 -3.240 1.00 0.00 C ATOM 298 O ARG A 855 6.473 3.131 -2.863 1.00 0.00 O ATOM 299 CB ARG A 855 6.024 3.099 -5.631 1.00 0.00 C ATOM 300 CG ARG A 855 7.201 3.812 -4.972 1.00 0.00 C ATOM 301 CD ARG A 855 8.137 4.353 -6.049 1.00 0.00 C ATOM 302 NE ARG A 855 8.552 5.722 -5.745 1.00 0.00 N ATOM 303 CZ ARG A 855 7.848 6.796 -6.129 1.00 0.00 C ATOM 304 NH1 ARG A 855 6.711 6.640 -6.820 1.00 0.00 N ATOM 305 NH2 ARG A 855 8.281 8.026 -5.821 1.00 0.00 N ATOM 0 H ARG A 855 4.716 5.069 -4.532 1.00 0.00 H new ATOM 0 HA ARG A 855 4.215 2.178 -4.947 1.00 0.00 H new ATOM 0 HB2 ARG A 855 6.327 2.106 -5.963 1.00 0.00 H new ATOM 0 HB3 ARG A 855 5.703 3.647 -6.517 1.00 0.00 H new ATOM 0 HG2 ARG A 855 6.841 4.628 -4.345 1.00 0.00 H new ATOM 0 HG3 ARG A 855 7.739 3.123 -4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 855 9.015 3.712 -6.128 1.00 0.00 H new ATOM 0 HD3 ARG A 855 7.636 4.328 -7.017 1.00 0.00 H new ATOM 0 HE ARG A 855 9.414 5.866 -5.218 1.00 0.00 H new ATOM 0 HH11 ARG A 855 6.381 5.704 -7.054 1.00 0.00 H new ATOM 0 HH12 ARG A 855 6.175 7.457 -7.112 1.00 0.00 H new ATOM 0 HH21 ARG A 855 9.146 8.145 -5.294 1.00 0.00 H new ATOM 0 HH22 ARG A 855 7.745 8.843 -6.113 1.00 0.00 H new ATOM 319 N LEU A 856 4.625 1.902 -2.473 1.00 0.00 N ATOM 320 CA LEU A 856 5.012 1.533 -1.126 1.00 0.00 C ATOM 321 C LEU A 856 5.469 0.082 -1.098 1.00 0.00 C ATOM 322 O LEU A 856 4.861 -0.775 -1.737 1.00 0.00 O ATOM 323 CB LEU A 856 3.833 1.747 -0.182 1.00 0.00 C ATOM 324 CG LEU A 856 3.220 0.397 0.180 1.00 0.00 C ATOM 325 CD1 LEU A 856 4.328 -0.574 0.577 1.00 0.00 C ATOM 326 CD2 LEU A 856 2.254 0.574 1.348 1.00 0.00 C ATOM 0 H LEU A 856 3.728 1.520 -2.771 1.00 0.00 H new ATOM 0 HA LEU A 856 5.841 2.160 -0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 856 4.164 2.262 0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 856 3.085 2.383 -0.655 1.00 0.00 H new ATOM 0 HG LEU A 856 2.680 -0.000 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 856 3.891 -1.538 0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 856 5.018 -0.700 -0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 856 4.868 -0.178 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 856 1.816 -0.390 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 856 2.793 0.971 2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 856 1.463 1.268 1.064 1.00 0.00 H new ATOM 338 N TYR A 857 6.543 -0.194 -0.356 1.00 0.00 N ATOM 339 CA TYR A 857 7.074 -1.539 -0.251 1.00 0.00 C ATOM 340 C TYR A 857 6.247 -2.345 0.740 1.00 0.00 C ATOM 341 O TYR A 857 6.471 -2.267 1.946 1.00 0.00 O ATOM 342 CB TYR A 857 8.534 -1.475 0.188 1.00 0.00 C ATOM 343 CG TYR A 857 8.885 -2.479 1.260 1.00 0.00 C ATOM 344 CD1 TYR A 857 8.723 -3.848 1.017 1.00 0.00 C ATOM 345 CD2 TYR A 857 9.372 -2.040 2.497 1.00 0.00 C ATOM 346 CE1 TYR A 857 9.048 -4.778 2.011 1.00 0.00 C ATOM 347 CE2 TYR A 857 9.697 -2.970 3.491 1.00 0.00 C ATOM 348 CZ TYR A 857 9.535 -4.340 3.248 1.00 0.00 C ATOM 349 OH TYR A 857 9.852 -5.246 4.217 1.00 0.00 O ATOM 0 H TYR A 857 7.058 0.504 0.180 1.00 0.00 H new ATOM 0 HA TYR A 857 7.021 -2.032 -1.222 1.00 0.00 H new ATOM 0 HB2 TYR A 857 9.173 -1.642 -0.679 1.00 0.00 H new ATOM 0 HB3 TYR A 857 8.751 -0.472 0.555 1.00 0.00 H new ATOM 0 HD1 TYR A 857 8.347 -4.186 0.063 1.00 0.00 H new ATOM 0 HD2 TYR A 857 9.497 -0.984 2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 857 8.923 -5.834 1.824 1.00 0.00 H new ATOM 0 HE2 TYR A 857 10.073 -2.631 4.445 1.00 0.00 H new ATOM 0 HH TYR A 857 10.176 -4.774 5.012 1.00 0.00 H new ATOM 359 N LEU A 858 5.288 -3.121 0.229 1.00 0.00 N ATOM 360 CA LEU A 858 4.434 -3.936 1.069 1.00 0.00 C ATOM 361 C LEU A 858 5.136 -5.245 1.403 1.00 0.00 C ATOM 362 O LEU A 858 5.358 -6.074 0.524 1.00 0.00 O ATOM 363 CB LEU A 858 3.114 -4.199 0.349 1.00 0.00 C ATOM 364 CG LEU A 858 2.181 -4.981 1.269 1.00 0.00 C ATOM 365 CD1 LEU A 858 2.664 -4.855 2.711 1.00 0.00 C ATOM 366 CD2 LEU A 858 0.767 -4.419 1.154 1.00 0.00 C ATOM 0 H LEU A 858 5.090 -3.196 -0.769 1.00 0.00 H new ATOM 0 HA LEU A 858 4.226 -3.410 2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 858 2.651 -3.256 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 858 3.293 -4.760 -0.568 1.00 0.00 H new ATOM 0 HG LEU A 858 2.180 -6.031 0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 858 1.997 -5.414 3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 858 3.674 -5.256 2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 858 2.666 -3.805 3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 858 0.099 -4.977 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 858 0.768 -3.369 1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 858 0.422 -4.510 0.124 1.00 0.00 H new ATOM 378 N PRO A 859 5.484 -5.428 2.679 1.00 0.00 N ATOM 379 CA PRO A 859 6.155 -6.608 3.180 1.00 0.00 C ATOM 380 C PRO A 859 5.181 -7.778 3.204 1.00 0.00 C ATOM 381 O PRO A 859 3.969 -7.578 3.243 1.00 0.00 O ATOM 382 CB PRO A 859 6.598 -6.236 4.593 1.00 0.00 C ATOM 383 CG PRO A 859 5.531 -5.233 5.030 1.00 0.00 C ATOM 384 CD PRO A 859 5.237 -4.474 3.738 1.00 0.00 C ATOM 0 HA PRO A 859 7.000 -6.910 2.562 1.00 0.00 H new ATOM 0 HB2 PRO A 859 6.628 -7.106 5.249 1.00 0.00 H new ATOM 0 HB3 PRO A 859 7.595 -5.795 4.601 1.00 0.00 H new ATOM 0 HG2 PRO A 859 4.642 -5.730 5.419 1.00 0.00 H new ATOM 0 HG3 PRO A 859 5.895 -4.571 5.815 1.00 0.00 H new ATOM 0 HD2 PRO A 859 4.207 -4.117 3.715 1.00 0.00 H new ATOM 0 HD3 PRO A 859 5.880 -3.599 3.639 1.00 0.00 H new ATOM 392 N PRO A 860 5.715 -9.001 3.179 1.00 0.00 N ATOM 393 CA PRO A 860 4.946 -10.227 3.196 1.00 0.00 C ATOM 394 C PRO A 860 4.351 -10.438 4.581 1.00 0.00 C ATOM 395 O PRO A 860 3.268 -11.003 4.714 1.00 0.00 O ATOM 396 CB PRO A 860 5.952 -11.325 2.859 1.00 0.00 C ATOM 397 CG PRO A 860 7.261 -10.767 3.417 1.00 0.00 C ATOM 398 CD PRO A 860 7.135 -9.272 3.133 1.00 0.00 C ATOM 0 HA PRO A 860 4.115 -10.216 2.491 1.00 0.00 H new ATOM 0 HB2 PRO A 860 5.686 -12.274 3.324 1.00 0.00 H new ATOM 0 HB3 PRO A 860 6.013 -11.502 1.785 1.00 0.00 H new ATOM 0 HG2 PRO A 860 7.366 -10.969 4.483 1.00 0.00 H new ATOM 0 HG3 PRO A 860 8.130 -11.201 2.923 1.00 0.00 H new ATOM 0 HD2 PRO A 860 7.674 -8.682 3.875 1.00 0.00 H new ATOM 0 HD3 PRO A 860 7.554 -9.018 2.159 1.00 0.00 H new ATOM 406 N SER A 861 5.064 -9.983 5.614 1.00 0.00 N ATOM 407 CA SER A 861 4.604 -10.125 6.980 1.00 0.00 C ATOM 408 C SER A 861 3.405 -9.217 7.218 1.00 0.00 C ATOM 409 O SER A 861 2.779 -9.276 8.275 1.00 0.00 O ATOM 410 CB SER A 861 5.741 -9.780 7.938 1.00 0.00 C ATOM 411 OG SER A 861 6.083 -10.922 8.690 1.00 0.00 O ATOM 0 H SER A 861 5.964 -9.513 5.520 1.00 0.00 H new ATOM 0 HA SER A 861 4.296 -11.155 7.158 1.00 0.00 H new ATOM 0 HB2 SER A 861 6.607 -9.426 7.379 1.00 0.00 H new ATOM 0 HB3 SER A 861 5.438 -8.971 8.603 1.00 0.00 H new ATOM 0 HG SER A 861 6.814 -10.702 9.304 1.00 0.00 H new ATOM 417 N THR A 862 3.083 -8.378 6.231 1.00 0.00 N ATOM 418 CA THR A 862 1.961 -7.467 6.341 1.00 0.00 C ATOM 419 C THR A 862 0.660 -8.253 6.401 1.00 0.00 C ATOM 420 O THR A 862 0.539 -9.308 5.782 1.00 0.00 O ATOM 421 CB THR A 862 1.963 -6.514 5.150 1.00 0.00 C ATOM 422 OG1 THR A 862 3.286 -6.114 4.870 1.00 0.00 O ATOM 423 CG2 THR A 862 1.119 -5.286 5.480 1.00 0.00 C ATOM 0 H THR A 862 3.590 -8.317 5.348 1.00 0.00 H new ATOM 0 HA THR A 862 2.051 -6.883 7.257 1.00 0.00 H new ATOM 0 HB THR A 862 1.545 -7.019 4.280 1.00 0.00 H new ATOM 0 HG1 THR A 862 3.603 -6.572 4.064 1.00 0.00 H new ATOM 0 HG21 THR A 862 1.120 -4.605 4.629 1.00 0.00 H new ATOM 0 HG22 THR A 862 0.096 -5.595 5.696 1.00 0.00 H new ATOM 0 HG23 THR A 862 1.537 -4.780 6.350 1.00 0.00 H new ATOM 431 N PRO A 863 -0.317 -7.736 7.150 1.00 0.00 N ATOM 432 CA PRO A 863 -1.620 -8.341 7.323 1.00 0.00 C ATOM 433 C PRO A 863 -2.427 -8.190 6.042 1.00 0.00 C ATOM 434 O PRO A 863 -2.430 -7.125 5.429 1.00 0.00 O ATOM 435 CB PRO A 863 -2.263 -7.564 8.470 1.00 0.00 C ATOM 436 CG PRO A 863 -1.635 -6.178 8.333 1.00 0.00 C ATOM 437 CD PRO A 863 -0.209 -6.499 7.892 1.00 0.00 C ATOM 0 HA PRO A 863 -1.567 -9.408 7.542 1.00 0.00 H new ATOM 0 HB2 PRO A 863 -3.348 -7.528 8.376 1.00 0.00 H new ATOM 0 HB3 PRO A 863 -2.042 -8.014 9.438 1.00 0.00 H new ATOM 0 HG2 PRO A 863 -2.159 -5.567 7.598 1.00 0.00 H new ATOM 0 HG3 PRO A 863 -1.654 -5.630 9.275 1.00 0.00 H new ATOM 0 HD2 PRO A 863 0.202 -5.702 7.273 1.00 0.00 H new ATOM 0 HD3 PRO A 863 0.454 -6.610 8.750 1.00 0.00 H new ATOM 445 N ASP A 864 -3.112 -9.262 5.636 1.00 0.00 N ATOM 446 CA ASP A 864 -3.915 -9.244 4.430 1.00 0.00 C ATOM 447 C ASP A 864 -3.017 -9.052 3.216 1.00 0.00 C ATOM 448 O ASP A 864 -3.506 -8.866 2.104 1.00 0.00 O ATOM 449 CB ASP A 864 -4.946 -8.123 4.524 1.00 0.00 C ATOM 450 CG ASP A 864 -6.286 -8.655 5.012 1.00 0.00 C ATOM 451 OD1 ASP A 864 -6.262 -9.453 5.974 1.00 0.00 O ATOM 452 OD2 ASP A 864 -7.308 -8.255 4.414 1.00 0.00 O ATOM 0 H ASP A 864 -3.121 -10.153 6.133 1.00 0.00 H new ATOM 0 HA ASP A 864 -4.439 -10.194 4.322 1.00 0.00 H new ATOM 0 HB2 ASP A 864 -4.588 -7.350 5.204 1.00 0.00 H new ATOM 0 HB3 ASP A 864 -5.070 -7.655 3.547 1.00 0.00 H new ATOM 457 N PHE A 865 -1.701 -9.097 3.431 1.00 0.00 N ATOM 458 CA PHE A 865 -0.746 -8.928 2.354 1.00 0.00 C ATOM 459 C PHE A 865 -1.285 -9.564 1.081 1.00 0.00 C ATOM 460 O PHE A 865 -1.320 -8.925 0.032 1.00 0.00 O ATOM 461 CB PHE A 865 0.585 -9.559 2.753 1.00 0.00 C ATOM 462 CG PHE A 865 1.698 -9.293 1.767 1.00 0.00 C ATOM 463 CD1 PHE A 865 2.160 -7.986 1.570 1.00 0.00 C ATOM 464 CD2 PHE A 865 2.269 -10.353 1.053 1.00 0.00 C ATOM 465 CE1 PHE A 865 3.193 -7.740 0.657 1.00 0.00 C ATOM 466 CE2 PHE A 865 3.302 -10.106 0.141 1.00 0.00 C ATOM 467 CZ PHE A 865 3.764 -8.800 -0.057 1.00 0.00 C ATOM 0 H PHE A 865 -1.279 -9.250 4.347 1.00 0.00 H new ATOM 0 HA PHE A 865 -0.588 -7.866 2.166 1.00 0.00 H new ATOM 0 HB2 PHE A 865 0.879 -9.179 3.732 1.00 0.00 H new ATOM 0 HB3 PHE A 865 0.451 -10.636 2.856 1.00 0.00 H new ATOM 0 HD1 PHE A 865 1.720 -7.168 2.122 1.00 0.00 H new ATOM 0 HD2 PHE A 865 1.913 -11.361 1.206 1.00 0.00 H new ATOM 0 HE1 PHE A 865 3.549 -6.732 0.504 1.00 0.00 H new ATOM 0 HE2 PHE A 865 3.743 -10.924 -0.410 1.00 0.00 H new ATOM 0 HZ PHE A 865 4.561 -8.610 -0.761 1.00 0.00 H new ATOM 477 N SER A 866 -1.707 -10.827 1.175 1.00 0.00 N ATOM 478 CA SER A 866 -2.242 -11.540 0.033 1.00 0.00 C ATOM 479 C SER A 866 -2.990 -10.574 -0.875 1.00 0.00 C ATOM 480 O SER A 866 -3.012 -10.753 -2.091 1.00 0.00 O ATOM 481 CB SER A 866 -3.167 -12.653 0.517 1.00 0.00 C ATOM 482 OG SER A 866 -2.557 -13.904 0.288 1.00 0.00 O ATOM 0 H SER A 866 -1.685 -11.371 2.037 1.00 0.00 H new ATOM 0 HA SER A 866 -1.426 -11.985 -0.537 1.00 0.00 H new ATOM 0 HB2 SER A 866 -3.379 -12.529 1.579 1.00 0.00 H new ATOM 0 HB3 SER A 866 -4.122 -12.601 -0.007 1.00 0.00 H new ATOM 0 HG SER A 866 -3.150 -14.619 0.600 1.00 0.00 H new ATOM 488 N ARG A 867 -3.602 -9.547 -0.281 1.00 0.00 N ATOM 489 CA ARG A 867 -4.346 -8.560 -1.037 1.00 0.00 C ATOM 490 C ARG A 867 -3.539 -7.273 -1.139 1.00 0.00 C ATOM 491 O ARG A 867 -3.150 -6.868 -2.232 1.00 0.00 O ATOM 492 CB ARG A 867 -5.687 -8.303 -0.354 1.00 0.00 C ATOM 493 CG ARG A 867 -6.143 -9.571 0.362 1.00 0.00 C ATOM 494 CD ARG A 867 -6.889 -9.193 1.639 1.00 0.00 C ATOM 495 NE ARG A 867 -6.599 -10.140 2.716 1.00 0.00 N ATOM 496 CZ ARG A 867 -7.366 -11.209 2.968 1.00 0.00 C ATOM 497 NH1 ARG A 867 -8.450 -11.448 2.218 1.00 0.00 N ATOM 498 NH2 ARG A 867 -7.049 -12.040 3.971 1.00 0.00 N ATOM 0 H ARG A 867 -3.592 -9.385 0.726 1.00 0.00 H new ATOM 0 HA ARG A 867 -4.531 -8.931 -2.045 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -5.593 -7.484 0.359 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -6.431 -8.001 -1.091 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -6.790 -10.157 -0.290 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -5.283 -10.196 0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -6.603 -8.187 1.947 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -7.962 -9.174 1.446 1.00 0.00 H new ATOM 0 HE ARG A 867 -5.778 -9.979 3.300 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -8.692 -10.816 1.455 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -9.034 -12.262 2.410 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -6.224 -11.858 4.542 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -7.633 -12.854 4.163 1.00 0.00 H new ATOM 512 N LEU A 868 -3.288 -6.632 0.004 1.00 0.00 N ATOM 513 CA LEU A 868 -2.529 -5.397 0.038 1.00 0.00 C ATOM 514 C LEU A 868 -1.541 -5.366 -1.120 1.00 0.00 C ATOM 515 O LEU A 868 -1.456 -4.373 -1.839 1.00 0.00 O ATOM 516 CB LEU A 868 -1.800 -5.285 1.374 1.00 0.00 C ATOM 517 CG LEU A 868 -2.818 -5.100 2.495 1.00 0.00 C ATOM 518 CD1 LEU A 868 -2.095 -5.067 3.839 1.00 0.00 C ATOM 519 CD2 LEU A 868 -3.570 -3.788 2.289 1.00 0.00 C ATOM 0 H LEU A 868 -3.604 -6.956 0.918 1.00 0.00 H new ATOM 0 HA LEU A 868 -3.205 -4.548 -0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 868 -1.206 -6.181 1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 868 -1.108 -4.443 1.354 1.00 0.00 H new ATOM 0 HG LEU A 868 -3.525 -5.929 2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 868 -2.822 -4.935 4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 868 -1.559 -6.004 3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 868 -1.387 -4.238 3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 868 -4.297 -3.656 3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 868 -2.863 -2.958 2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 868 -4.087 -3.812 1.330 1.00 0.00 H new ATOM 531 N ARG A 869 -0.794 -6.458 -1.298 1.00 0.00 N ATOM 532 CA ARG A 869 0.183 -6.550 -2.364 1.00 0.00 C ATOM 533 C ARG A 869 -0.523 -6.537 -3.712 1.00 0.00 C ATOM 534 O ARG A 869 -0.606 -5.498 -4.362 1.00 0.00 O ATOM 535 CB ARG A 869 1.000 -7.827 -2.194 1.00 0.00 C ATOM 536 CG ARG A 869 2.472 -7.529 -2.467 1.00 0.00 C ATOM 537 CD ARG A 869 3.096 -8.698 -3.224 1.00 0.00 C ATOM 538 NE ARG A 869 2.679 -9.978 -2.650 1.00 0.00 N ATOM 539 CZ ARG A 869 3.035 -11.159 -3.174 1.00 0.00 C ATOM 540 NH1 ARG A 869 3.805 -11.201 -4.270 1.00 0.00 N ATOM 541 NH2 ARG A 869 2.620 -12.298 -2.603 1.00 0.00 N ATOM 0 H ARG A 869 -0.854 -7.290 -0.710 1.00 0.00 H new ATOM 0 HA ARG A 869 0.857 -5.694 -2.321 1.00 0.00 H new ATOM 0 HB2 ARG A 869 0.878 -8.218 -1.184 1.00 0.00 H new ATOM 0 HB3 ARG A 869 0.640 -8.595 -2.878 1.00 0.00 H new ATOM 0 HG2 ARG A 869 2.567 -6.613 -3.050 1.00 0.00 H new ATOM 0 HG3 ARG A 869 3.001 -7.366 -1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 869 2.804 -8.654 -4.273 1.00 0.00 H new ATOM 0 HD3 ARG A 869 4.183 -8.618 -3.192 1.00 0.00 H new ATOM 0 HE ARG A 869 2.092 -9.971 -1.816 1.00 0.00 H new ATOM 0 HH11 ARG A 869 4.120 -10.334 -4.705 1.00 0.00 H new ATOM 0 HH12 ARG A 869 4.076 -12.100 -4.669 1.00 0.00 H new ATOM 0 HH21 ARG A 869 2.033 -12.266 -1.769 1.00 0.00 H new ATOM 0 HH22 ARG A 869 2.891 -13.197 -3.002 1.00 0.00 H new ATOM 555 N ARG A 870 -1.034 -7.698 -4.132 1.00 0.00 N ATOM 556 CA ARG A 870 -1.728 -7.814 -5.398 1.00 0.00 C ATOM 557 C ARG A 870 -2.690 -6.648 -5.568 1.00 0.00 C ATOM 558 O ARG A 870 -2.920 -6.187 -6.684 1.00 0.00 O ATOM 559 CB ARG A 870 -2.476 -9.144 -5.446 1.00 0.00 C ATOM 560 CG ARG A 870 -2.313 -9.769 -6.828 1.00 0.00 C ATOM 561 CD ARG A 870 -0.931 -10.406 -6.939 1.00 0.00 C ATOM 562 NE ARG A 870 -0.779 -11.501 -5.981 1.00 0.00 N ATOM 563 CZ ARG A 870 -1.287 -12.723 -6.188 1.00 0.00 C ATOM 564 NH1 ARG A 870 -1.968 -12.984 -7.313 1.00 0.00 N ATOM 565 NH2 ARG A 870 -1.115 -13.685 -5.271 1.00 0.00 N ATOM 0 H ARG A 870 -0.975 -8.569 -3.604 1.00 0.00 H new ATOM 0 HA ARG A 870 -1.008 -7.787 -6.216 1.00 0.00 H new ATOM 0 HB2 ARG A 870 -2.090 -9.819 -4.682 1.00 0.00 H new ATOM 0 HB3 ARG A 870 -3.532 -8.987 -5.228 1.00 0.00 H new ATOM 0 HG2 ARG A 870 -3.086 -10.520 -6.992 1.00 0.00 H new ATOM 0 HG3 ARG A 870 -2.438 -9.009 -7.599 1.00 0.00 H new ATOM 0 HD2 ARG A 870 -0.780 -10.780 -7.951 1.00 0.00 H new ATOM 0 HD3 ARG A 870 -0.164 -9.652 -6.760 1.00 0.00 H new ATOM 0 HE ARG A 870 -0.264 -11.326 -5.118 1.00 0.00 H new ATOM 0 HH11 ARG A 870 -2.099 -12.252 -8.011 1.00 0.00 H new ATOM 0 HH12 ARG A 870 -2.355 -13.915 -7.471 1.00 0.00 H new ATOM 0 HH21 ARG A 870 -0.597 -13.487 -4.415 1.00 0.00 H new ATOM 0 HH22 ARG A 870 -1.502 -14.615 -5.429 1.00 0.00 H new ATOM 579 N TYR A 871 -3.254 -6.169 -4.457 1.00 0.00 N ATOM 580 CA TYR A 871 -4.188 -5.062 -4.490 1.00 0.00 C ATOM 581 C TYR A 871 -3.446 -3.770 -4.802 1.00 0.00 C ATOM 582 O TYR A 871 -3.538 -3.251 -5.913 1.00 0.00 O ATOM 583 CB TYR A 871 -4.906 -4.963 -3.148 1.00 0.00 C ATOM 584 CG TYR A 871 -6.162 -4.126 -3.196 1.00 0.00 C ATOM 585 CD1 TYR A 871 -6.322 -3.161 -4.197 1.00 0.00 C ATOM 586 CD2 TYR A 871 -7.167 -4.316 -2.239 1.00 0.00 C ATOM 587 CE1 TYR A 871 -7.487 -2.385 -4.242 1.00 0.00 C ATOM 588 CE2 TYR A 871 -8.331 -3.540 -2.284 1.00 0.00 C ATOM 589 CZ TYR A 871 -8.491 -2.575 -3.285 1.00 0.00 C ATOM 590 OH TYR A 871 -9.626 -1.819 -3.328 1.00 0.00 O ATOM 0 H TYR A 871 -3.073 -6.538 -3.524 1.00 0.00 H new ATOM 0 HA TYR A 871 -4.929 -5.230 -5.272 1.00 0.00 H new ATOM 0 HB2 TYR A 871 -5.161 -5.966 -2.806 1.00 0.00 H new ATOM 0 HB3 TYR A 871 -4.224 -4.539 -2.411 1.00 0.00 H new ATOM 0 HD1 TYR A 871 -5.547 -3.015 -4.935 1.00 0.00 H new ATOM 0 HD2 TYR A 871 -7.044 -5.061 -1.467 1.00 0.00 H new ATOM 0 HE1 TYR A 871 -7.611 -1.640 -5.014 1.00 0.00 H new ATOM 0 HE2 TYR A 871 -9.106 -3.686 -1.546 1.00 0.00 H new ATOM 600 N PHE A 872 -2.708 -3.251 -3.818 1.00 0.00 N ATOM 601 CA PHE A 872 -1.956 -2.025 -3.994 1.00 0.00 C ATOM 602 C PHE A 872 -1.433 -1.940 -5.421 1.00 0.00 C ATOM 603 O PHE A 872 -1.975 -1.201 -6.240 1.00 0.00 O ATOM 604 CB PHE A 872 -0.805 -1.988 -2.993 1.00 0.00 C ATOM 605 CG PHE A 872 -0.054 -0.677 -2.986 1.00 0.00 C ATOM 606 CD1 PHE A 872 0.473 -0.166 -4.178 1.00 0.00 C ATOM 607 CD2 PHE A 872 0.117 0.025 -1.787 1.00 0.00 C ATOM 608 CE1 PHE A 872 1.171 1.047 -4.171 1.00 0.00 C ATOM 609 CE2 PHE A 872 0.815 1.239 -1.781 1.00 0.00 C ATOM 610 CZ PHE A 872 1.342 1.750 -2.973 1.00 0.00 C ATOM 0 H PHE A 872 -2.621 -3.669 -2.892 1.00 0.00 H new ATOM 0 HA PHE A 872 -2.604 -1.167 -3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -1.197 -2.178 -1.994 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -0.109 -2.795 -3.222 1.00 0.00 H new ATOM 0 HD1 PHE A 872 0.341 -0.708 -5.103 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -0.289 -0.369 -0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 872 1.578 1.441 -5.091 1.00 0.00 H new ATOM 0 HE2 PHE A 872 0.947 1.781 -0.856 1.00 0.00 H new ATOM 0 HZ PHE A 872 1.880 2.686 -2.968 1.00 0.00 H new ATOM 620 N VAL A 873 -0.376 -2.701 -5.718 1.00 0.00 N ATOM 621 CA VAL A 873 0.214 -2.708 -7.041 1.00 0.00 C ATOM 622 C VAL A 873 -0.884 -2.768 -8.094 1.00 0.00 C ATOM 623 O VAL A 873 -0.723 -2.238 -9.191 1.00 0.00 O ATOM 624 CB VAL A 873 1.154 -3.904 -7.171 1.00 0.00 C ATOM 625 CG1 VAL A 873 0.507 -5.131 -6.536 1.00 0.00 C ATOM 626 CG2 VAL A 873 1.425 -4.178 -8.648 1.00 0.00 C ATOM 0 H VAL A 873 0.084 -3.320 -5.050 1.00 0.00 H new ATOM 0 HA VAL A 873 0.787 -1.794 -7.194 1.00 0.00 H new ATOM 0 HB VAL A 873 2.093 -3.686 -6.663 1.00 0.00 H new ATOM 0 HG11 VAL A 873 1.178 -5.985 -6.629 1.00 0.00 H new ATOM 0 HG12 VAL A 873 0.312 -4.935 -5.482 1.00 0.00 H new ATOM 0 HG13 VAL A 873 -0.432 -5.351 -7.043 1.00 0.00 H new ATOM 0 HG21 VAL A 873 2.096 -5.032 -8.743 1.00 0.00 H new ATOM 0 HG22 VAL A 873 0.486 -4.397 -9.156 1.00 0.00 H new ATOM 0 HG23 VAL A 873 1.887 -3.301 -9.102 1.00 0.00 H new ATOM 636 N ALA A 874 -2.002 -3.414 -7.756 1.00 0.00 N ATOM 637 CA ALA A 874 -3.118 -3.540 -8.672 1.00 0.00 C ATOM 638 C ALA A 874 -3.679 -2.162 -8.992 1.00 0.00 C ATOM 639 O ALA A 874 -3.583 -1.699 -10.127 1.00 0.00 O ATOM 640 CB ALA A 874 -4.190 -4.428 -8.047 1.00 0.00 C ATOM 0 H ALA A 874 -2.151 -3.857 -6.849 1.00 0.00 H new ATOM 0 HA ALA A 874 -2.781 -3.999 -9.602 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -5.030 -4.523 -8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -3.773 -5.414 -7.845 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -4.534 -3.981 -7.114 1.00 0.00 H new ATOM 646 N PHE A 875 -4.267 -1.506 -7.989 1.00 0.00 N ATOM 647 CA PHE A 875 -4.839 -0.187 -8.172 1.00 0.00 C ATOM 648 C PHE A 875 -4.214 0.483 -9.387 1.00 0.00 C ATOM 649 O PHE A 875 -4.924 0.975 -10.261 1.00 0.00 O ATOM 650 CB PHE A 875 -4.605 0.646 -6.914 1.00 0.00 C ATOM 651 CG PHE A 875 -5.199 0.035 -5.668 1.00 0.00 C ATOM 652 CD1 PHE A 875 -4.555 -1.038 -5.039 1.00 0.00 C ATOM 653 CD2 PHE A 875 -6.395 0.538 -5.143 1.00 0.00 C ATOM 654 CE1 PHE A 875 -5.107 -1.606 -3.884 1.00 0.00 C ATOM 655 CE2 PHE A 875 -6.947 -0.030 -3.988 1.00 0.00 C ATOM 656 CZ PHE A 875 -6.303 -1.102 -3.359 1.00 0.00 C ATOM 0 H PHE A 875 -4.355 -1.875 -7.042 1.00 0.00 H new ATOM 0 HA PHE A 875 -5.912 -0.272 -8.342 1.00 0.00 H new ATOM 0 HB2 PHE A 875 -3.533 0.777 -6.769 1.00 0.00 H new ATOM 0 HB3 PHE A 875 -5.031 1.639 -7.061 1.00 0.00 H new ATOM 0 HD1 PHE A 875 -3.633 -1.427 -5.445 1.00 0.00 H new ATOM 0 HD2 PHE A 875 -6.892 1.364 -5.629 1.00 0.00 H new ATOM 0 HE1 PHE A 875 -4.610 -2.433 -3.398 1.00 0.00 H new ATOM 0 HE2 PHE A 875 -7.869 0.359 -3.583 1.00 0.00 H new ATOM 0 HZ PHE A 875 -6.729 -1.540 -2.469 1.00 0.00 H new ATOM 666 N ASP A 876 -2.880 0.502 -9.441 1.00 0.00 N ATOM 667 CA ASP A 876 -2.168 1.111 -10.546 1.00 0.00 C ATOM 668 C ASP A 876 -0.843 1.677 -10.056 1.00 0.00 C ATOM 669 O ASP A 876 -0.218 2.482 -10.742 1.00 0.00 O ATOM 670 CB ASP A 876 -3.031 2.209 -11.162 1.00 0.00 C ATOM 671 CG ASP A 876 -3.714 1.717 -12.430 1.00 0.00 C ATOM 672 OD1 ASP A 876 -3.114 0.848 -13.098 1.00 0.00 O ATOM 673 OD2 ASP A 876 -4.825 2.219 -12.707 1.00 0.00 O ATOM 0 H ASP A 876 -2.277 0.098 -8.724 1.00 0.00 H new ATOM 0 HA ASP A 876 -1.960 0.360 -11.308 1.00 0.00 H new ATOM 0 HB2 ASP A 876 -3.782 2.533 -10.442 1.00 0.00 H new ATOM 0 HB3 ASP A 876 -2.413 3.077 -11.391 1.00 0.00 H new ATOM 678 N GLY A 877 -0.414 1.254 -8.864 1.00 0.00 N ATOM 679 CA GLY A 877 0.833 1.723 -8.294 1.00 0.00 C ATOM 680 C GLY A 877 1.951 0.732 -8.583 1.00 0.00 C ATOM 681 O GLY A 877 2.034 0.188 -9.682 1.00 0.00 O ATOM 0 H GLY A 877 -0.919 0.587 -8.281 1.00 0.00 H new ATOM 0 HA2 GLY A 877 1.086 2.699 -8.709 1.00 0.00 H new ATOM 0 HA3 GLY A 877 0.722 1.853 -7.217 1.00 0.00 H new ATOM 685 N ASP A 878 2.813 0.497 -7.591 1.00 0.00 N ATOM 686 CA ASP A 878 3.921 -0.424 -7.744 1.00 0.00 C ATOM 687 C ASP A 878 4.396 -0.889 -6.374 1.00 0.00 C ATOM 688 O ASP A 878 4.184 -0.204 -5.377 1.00 0.00 O ATOM 689 CB ASP A 878 5.052 0.262 -8.505 1.00 0.00 C ATOM 690 CG ASP A 878 4.920 0.028 -10.003 1.00 0.00 C ATOM 691 OD1 ASP A 878 4.397 -1.048 -10.365 1.00 0.00 O ATOM 692 OD2 ASP A 878 5.344 0.929 -10.758 1.00 0.00 O ATOM 0 H ASP A 878 2.757 0.938 -6.673 1.00 0.00 H new ATOM 0 HA ASP A 878 3.598 -1.297 -8.311 1.00 0.00 H new ATOM 0 HB2 ASP A 878 5.038 1.332 -8.298 1.00 0.00 H new ATOM 0 HB3 ASP A 878 6.013 -0.118 -8.157 1.00 0.00 H new ATOM 697 N LEU A 879 5.041 -2.057 -6.329 1.00 0.00 N ATOM 698 CA LEU A 879 5.542 -2.606 -5.085 1.00 0.00 C ATOM 699 C LEU A 879 6.933 -3.186 -5.299 1.00 0.00 C ATOM 700 O LEU A 879 7.138 -3.999 -6.198 1.00 0.00 O ATOM 701 CB LEU A 879 4.582 -3.678 -4.579 1.00 0.00 C ATOM 702 CG LEU A 879 3.208 -3.058 -4.339 1.00 0.00 C ATOM 703 CD1 LEU A 879 2.247 -4.130 -3.832 1.00 0.00 C ATOM 704 CD2 LEU A 879 3.327 -1.947 -3.299 1.00 0.00 C ATOM 0 H LEU A 879 5.225 -2.636 -7.148 1.00 0.00 H new ATOM 0 HA LEU A 879 5.611 -1.816 -4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 879 4.506 -4.486 -5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 879 4.962 -4.115 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 879 2.828 -2.643 -5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 879 1.266 -3.687 -3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 879 2.162 -4.923 -4.575 1.00 0.00 H new ATOM 0 HD13 LEU A 879 2.626 -4.546 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 879 2.346 -1.503 -3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 879 3.707 -2.362 -2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 879 4.013 -1.181 -3.661 1.00 0.00 H new ATOM 716 N VAL A 880 7.891 -2.766 -4.469 1.00 0.00 N ATOM 717 CA VAL A 880 9.255 -3.244 -4.570 1.00 0.00 C ATOM 718 C VAL A 880 9.583 -4.122 -3.371 1.00 0.00 C ATOM 719 O VAL A 880 9.178 -3.821 -2.250 1.00 0.00 O ATOM 720 CB VAL A 880 10.206 -2.054 -4.646 1.00 0.00 C ATOM 721 CG1 VAL A 880 10.868 -2.018 -6.021 1.00 0.00 C ATOM 722 CG2 VAL A 880 9.423 -0.763 -4.425 1.00 0.00 C ATOM 0 H VAL A 880 7.737 -2.092 -3.719 1.00 0.00 H new ATOM 0 HA VAL A 880 9.370 -3.841 -5.475 1.00 0.00 H new ATOM 0 HB VAL A 880 10.972 -2.151 -3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 880 11.548 -1.168 -6.075 1.00 0.00 H new ATOM 0 HG12 VAL A 880 11.427 -2.940 -6.180 1.00 0.00 H new ATOM 0 HG13 VAL A 880 10.103 -1.921 -6.791 1.00 0.00 H new ATOM 0 HG21 VAL A 880 10.102 0.088 -4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 880 8.657 -0.666 -5.194 1.00 0.00 H new ATOM 0 HG23 VAL A 880 8.950 -0.788 -3.443 1.00 0.00 H new ATOM 732 N GLN A 881 10.320 -5.209 -3.608 1.00 0.00 N ATOM 733 CA GLN A 881 10.698 -6.123 -2.548 1.00 0.00 C ATOM 734 C GLN A 881 11.747 -5.474 -1.657 1.00 0.00 C ATOM 735 O GLN A 881 12.718 -4.905 -2.150 1.00 0.00 O ATOM 736 CB GLN A 881 11.231 -7.415 -3.159 1.00 0.00 C ATOM 737 CG GLN A 881 10.192 -7.994 -4.115 1.00 0.00 C ATOM 738 CD GLN A 881 10.828 -9.001 -5.063 1.00 0.00 C ATOM 739 OE1 GLN A 881 11.580 -8.624 -5.959 1.00 0.00 O ATOM 740 NE2 GLN A 881 10.522 -10.285 -4.864 1.00 0.00 N ATOM 0 H GLN A 881 10.664 -5.472 -4.532 1.00 0.00 H new ATOM 0 HA GLN A 881 9.827 -6.358 -1.936 1.00 0.00 H new ATOM 0 HB2 GLN A 881 12.162 -7.221 -3.692 1.00 0.00 H new ATOM 0 HB3 GLN A 881 11.458 -8.135 -2.373 1.00 0.00 H new ATOM 0 HG2 GLN A 881 9.397 -8.476 -3.546 1.00 0.00 H new ATOM 0 HG3 GLN A 881 9.731 -7.190 -4.688 1.00 0.00 H new ATOM 0 HE21 GLN A 881 9.892 -10.548 -4.106 1.00 0.00 H new ATOM 0 HE22 GLN A 881 10.918 -11.004 -5.470 1.00 0.00 H new ATOM 749 N GLU A 882 11.551 -5.562 -0.339 1.00 0.00 N ATOM 750 CA GLU A 882 12.482 -4.985 0.610 1.00 0.00 C ATOM 751 C GLU A 882 13.876 -4.927 0.001 1.00 0.00 C ATOM 752 O GLU A 882 14.427 -3.846 -0.192 1.00 0.00 O ATOM 753 CB GLU A 882 12.485 -5.819 1.888 1.00 0.00 C ATOM 754 CG GLU A 882 13.424 -5.183 2.909 1.00 0.00 C ATOM 755 CD GLU A 882 14.320 -6.232 3.551 1.00 0.00 C ATOM 756 OE1 GLU A 882 14.705 -7.171 2.823 1.00 0.00 O ATOM 757 OE2 GLU A 882 14.603 -6.074 4.759 1.00 0.00 O ATOM 0 H GLU A 882 10.751 -6.030 0.087 1.00 0.00 H new ATOM 0 HA GLU A 882 12.173 -3.968 0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 882 11.476 -5.882 2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 882 12.805 -6.838 1.669 1.00 0.00 H new ATOM 0 HG2 GLU A 882 14.037 -4.424 2.422 1.00 0.00 H new ATOM 0 HG3 GLU A 882 12.841 -4.676 3.679 1.00 0.00 H new ATOM 764 N PHE A 883 14.445 -6.096 -0.303 1.00 0.00 N ATOM 765 CA PHE A 883 15.768 -6.170 -0.888 1.00 0.00 C ATOM 766 C PHE A 883 15.727 -5.665 -2.324 1.00 0.00 C ATOM 767 O PHE A 883 16.609 -5.980 -3.120 1.00 0.00 O ATOM 768 CB PHE A 883 16.266 -7.611 -0.835 1.00 0.00 C ATOM 769 CG PHE A 883 15.578 -8.524 -1.822 1.00 0.00 C ATOM 770 CD1 PHE A 883 14.360 -9.126 -1.486 1.00 0.00 C ATOM 771 CD2 PHE A 883 16.156 -8.765 -3.074 1.00 0.00 C ATOM 772 CE1 PHE A 883 13.720 -9.970 -2.402 1.00 0.00 C ATOM 773 CE2 PHE A 883 15.516 -9.608 -3.990 1.00 0.00 C ATOM 774 CZ PHE A 883 14.298 -10.211 -3.653 1.00 0.00 C ATOM 0 H PHE A 883 14.001 -7.002 -0.150 1.00 0.00 H new ATOM 0 HA PHE A 883 16.456 -5.541 -0.323 1.00 0.00 H new ATOM 0 HB2 PHE A 883 17.339 -7.623 -1.028 1.00 0.00 H new ATOM 0 HB3 PHE A 883 16.119 -8.001 0.172 1.00 0.00 H new ATOM 0 HD1 PHE A 883 13.914 -8.940 -0.520 1.00 0.00 H new ATOM 0 HD2 PHE A 883 17.096 -8.300 -3.333 1.00 0.00 H new ATOM 0 HE1 PHE A 883 12.780 -10.435 -2.143 1.00 0.00 H new ATOM 0 HE2 PHE A 883 15.961 -9.793 -4.956 1.00 0.00 H new ATOM 0 HZ PHE A 883 13.805 -10.862 -4.359 1.00 0.00 H new ATOM 784 N ASP A 884 14.700 -4.879 -2.652 1.00 0.00 N ATOM 785 CA ASP A 884 14.549 -4.336 -3.988 1.00 0.00 C ATOM 786 C ASP A 884 13.671 -3.094 -3.943 1.00 0.00 C ATOM 787 O ASP A 884 12.448 -3.198 -3.894 1.00 0.00 O ATOM 788 CB ASP A 884 13.940 -5.396 -4.901 1.00 0.00 C ATOM 789 CG ASP A 884 14.914 -6.544 -5.126 1.00 0.00 C ATOM 790 OD1 ASP A 884 16.126 -6.251 -5.213 1.00 0.00 O ATOM 791 OD2 ASP A 884 14.428 -7.693 -5.207 1.00 0.00 O ATOM 0 H ASP A 884 13.962 -4.608 -2.002 1.00 0.00 H new ATOM 0 HA ASP A 884 15.525 -4.053 -4.383 1.00 0.00 H new ATOM 0 HB2 ASP A 884 13.019 -5.777 -4.459 1.00 0.00 H new ATOM 0 HB3 ASP A 884 13.673 -4.948 -5.858 1.00 0.00 H new ATOM 796 N MET A 885 14.298 -1.915 -3.959 1.00 0.00 N ATOM 797 CA MET A 885 13.570 -0.663 -3.918 1.00 0.00 C ATOM 798 C MET A 885 14.437 0.459 -4.470 1.00 0.00 C ATOM 799 O MET A 885 14.109 1.053 -5.495 1.00 0.00 O ATOM 800 CB MET A 885 13.153 -0.366 -2.480 1.00 0.00 C ATOM 801 CG MET A 885 13.801 -1.380 -1.542 1.00 0.00 C ATOM 802 SD MET A 885 12.649 -2.608 -0.879 1.00 0.00 S ATOM 803 CE MET A 885 12.222 -1.793 0.680 1.00 0.00 C ATOM 0 H MET A 885 15.312 -1.811 -4.000 1.00 0.00 H new ATOM 0 HA MET A 885 12.675 -0.739 -4.535 1.00 0.00 H new ATOM 0 HB2 MET A 885 13.454 0.645 -2.204 1.00 0.00 H new ATOM 0 HB3 MET A 885 12.068 -0.411 -2.388 1.00 0.00 H new ATOM 0 HG2 MET A 885 14.599 -1.896 -2.076 1.00 0.00 H new ATOM 0 HG3 MET A 885 14.266 -0.847 -0.712 1.00 0.00 H new ATOM 0 HE1 MET A 885 12.125 -2.541 1.467 1.00 0.00 H new ATOM 0 HE2 MET A 885 13.006 -1.085 0.947 1.00 0.00 H new ATOM 0 HE3 MET A 885 11.277 -1.262 0.566 1.00 0.00 H new ATOM 813 N THR A 886 15.547 0.749 -3.788 1.00 0.00 N ATOM 814 CA THR A 886 16.452 1.796 -4.216 1.00 0.00 C ATOM 815 C THR A 886 15.696 2.831 -5.037 1.00 0.00 C ATOM 816 O THR A 886 15.791 4.028 -4.772 1.00 0.00 O ATOM 817 CB THR A 886 17.587 1.184 -5.032 1.00 0.00 C ATOM 818 OG1 THR A 886 17.123 0.881 -6.329 1.00 0.00 O ATOM 819 CG2 THR A 886 18.070 -0.094 -4.353 1.00 0.00 C ATOM 0 H THR A 886 15.834 0.267 -2.936 1.00 0.00 H new ATOM 0 HA THR A 886 16.875 2.293 -3.343 1.00 0.00 H new ATOM 0 HB THR A 886 18.411 1.894 -5.098 1.00 0.00 H new ATOM 0 HG1 THR A 886 17.852 0.489 -6.854 1.00 0.00 H new ATOM 0 HG21 THR A 886 18.881 -0.531 -4.936 1.00 0.00 H new ATOM 0 HG22 THR A 886 18.429 0.140 -3.351 1.00 0.00 H new ATOM 0 HG23 THR A 886 17.246 -0.805 -4.287 1.00 0.00 H new ATOM 827 N SER A 887 14.943 2.367 -6.037 1.00 0.00 N ATOM 828 CA SER A 887 14.175 3.253 -6.889 1.00 0.00 C ATOM 829 C SER A 887 12.730 3.305 -6.412 1.00 0.00 C ATOM 830 O SER A 887 11.961 4.158 -6.847 1.00 0.00 O ATOM 831 CB SER A 887 14.251 2.762 -8.332 1.00 0.00 C ATOM 832 OG SER A 887 15.133 3.584 -9.062 1.00 0.00 O ATOM 0 H SER A 887 14.854 1.378 -6.270 1.00 0.00 H new ATOM 0 HA SER A 887 14.589 4.260 -6.839 1.00 0.00 H new ATOM 0 HB2 SER A 887 14.595 1.728 -8.358 1.00 0.00 H new ATOM 0 HB3 SER A 887 13.260 2.780 -8.786 1.00 0.00 H new ATOM 0 HG SER A 887 15.184 3.268 -9.988 1.00 0.00 H new ATOM 838 N ALA A 888 12.364 2.387 -5.513 1.00 0.00 N ATOM 839 CA ALA A 888 11.017 2.333 -4.983 1.00 0.00 C ATOM 840 C ALA A 888 10.524 3.741 -4.681 1.00 0.00 C ATOM 841 O ALA A 888 11.299 4.694 -4.723 1.00 0.00 O ATOM 842 CB ALA A 888 11.003 1.472 -3.722 1.00 0.00 C ATOM 0 H ALA A 888 12.991 1.673 -5.142 1.00 0.00 H new ATOM 0 HA ALA A 888 10.349 1.887 -5.720 1.00 0.00 H new ATOM 0 HB1 ALA A 888 9.990 1.430 -3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 888 11.339 0.464 -3.966 1.00 0.00 H new ATOM 0 HB3 ALA A 888 11.670 1.906 -2.977 1.00 0.00 H new ATOM 848 N THR A 889 9.231 3.871 -4.375 1.00 0.00 N ATOM 849 CA THR A 889 8.648 5.161 -4.068 1.00 0.00 C ATOM 850 C THR A 889 8.072 5.148 -2.660 1.00 0.00 C ATOM 851 O THR A 889 8.224 6.115 -1.915 1.00 0.00 O ATOM 852 CB THR A 889 7.563 5.484 -5.092 1.00 0.00 C ATOM 853 OG1 THR A 889 7.596 6.861 -5.393 1.00 0.00 O ATOM 854 CG2 THR A 889 6.197 5.122 -4.518 1.00 0.00 C ATOM 0 H THR A 889 8.574 3.092 -4.336 1.00 0.00 H new ATOM 0 HA THR A 889 9.418 5.931 -4.116 1.00 0.00 H new ATOM 0 HB THR A 889 7.739 4.909 -6.001 1.00 0.00 H new ATOM 0 HG21 THR A 889 5.422 5.353 -5.249 1.00 0.00 H new ATOM 0 HG22 THR A 889 6.171 4.058 -4.285 1.00 0.00 H new ATOM 0 HG23 THR A 889 6.020 5.697 -3.609 1.00 0.00 H new ATOM 862 N HIS A 890 7.409 4.049 -2.293 1.00 0.00 N ATOM 863 CA HIS A 890 6.815 3.921 -0.977 1.00 0.00 C ATOM 864 C HIS A 890 7.313 2.649 -0.304 1.00 0.00 C ATOM 865 O HIS A 890 7.802 1.741 -0.972 1.00 0.00 O ATOM 866 CB HIS A 890 5.295 3.904 -1.107 1.00 0.00 C ATOM 867 CG HIS A 890 4.717 5.273 -1.338 1.00 0.00 C ATOM 868 ND1 HIS A 890 5.276 6.271 -2.103 1.00 0.00 N ATOM 869 CD2 HIS A 890 3.541 5.749 -0.825 1.00 0.00 C ATOM 870 CE1 HIS A 890 4.446 7.329 -2.049 1.00 0.00 C ATOM 871 NE2 HIS A 890 3.375 7.060 -1.282 1.00 0.00 N ATOM 0 HA HIS A 890 7.106 4.771 -0.359 1.00 0.00 H new ATOM 0 HB2 HIS A 890 5.012 3.251 -1.932 1.00 0.00 H new ATOM 0 HB3 HIS A 890 4.862 3.479 -0.202 1.00 0.00 H new ATOM 0 HD2 HIS A 890 2.862 5.209 -0.182 1.00 0.00 H new ATOM 0 HE1 HIS A 890 4.617 8.268 -2.554 1.00 0.00 H new ATOM 0 HE2 HIS A 890 2.597 7.687 -1.075 1.00 0.00 H new ATOM 879 N VAL A 891 7.187 2.587 1.024 1.00 0.00 N ATOM 880 CA VAL A 891 7.623 1.431 1.780 1.00 0.00 C ATOM 881 C VAL A 891 6.763 1.277 3.026 1.00 0.00 C ATOM 882 O VAL A 891 6.672 2.195 3.838 1.00 0.00 O ATOM 883 CB VAL A 891 9.094 1.594 2.154 1.00 0.00 C ATOM 884 CG1 VAL A 891 9.966 1.262 0.947 1.00 0.00 C ATOM 885 CG2 VAL A 891 9.351 3.034 2.588 1.00 0.00 C ATOM 0 H VAL A 891 6.784 3.332 1.592 1.00 0.00 H new ATOM 0 HA VAL A 891 7.514 0.532 1.174 1.00 0.00 H new ATOM 0 HB VAL A 891 9.338 0.918 2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 891 11.016 1.378 1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 891 9.782 0.233 0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 891 9.723 1.937 0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 891 10.401 3.152 2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 891 9.107 3.710 1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 891 8.728 3.271 3.451 1.00 0.00 H new ATOM 895 N LEU A 892 6.132 0.110 3.177 1.00 0.00 N ATOM 896 CA LEU A 892 5.284 -0.158 4.322 1.00 0.00 C ATOM 897 C LEU A 892 6.143 -0.471 5.539 1.00 0.00 C ATOM 898 O LEU A 892 6.910 -1.432 5.530 1.00 0.00 O ATOM 899 CB LEU A 892 4.354 -1.325 4.003 1.00 0.00 C ATOM 900 CG LEU A 892 2.914 -0.926 4.313 1.00 0.00 C ATOM 901 CD1 LEU A 892 2.020 -1.288 3.130 1.00 0.00 C ATOM 902 CD2 LEU A 892 2.437 -1.670 5.557 1.00 0.00 C ATOM 0 H LEU A 892 6.198 -0.662 2.513 1.00 0.00 H new ATOM 0 HA LEU A 892 4.680 0.721 4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 892 4.448 -1.603 2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 892 4.635 -2.199 4.590 1.00 0.00 H new ATOM 0 HG LEU A 892 2.865 0.148 4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 892 0.991 -1.003 3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 892 2.361 -0.757 2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 892 2.069 -2.362 2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 892 1.408 -1.386 5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 892 2.486 -2.744 5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 892 3.075 -1.412 6.402 1.00 0.00 H new ATOM 914 N GLY A 893 6.014 0.343 6.589 1.00 0.00 N ATOM 915 CA GLY A 893 6.779 0.145 7.804 1.00 0.00 C ATOM 916 C GLY A 893 8.268 0.109 7.489 1.00 0.00 C ATOM 917 O GLY A 893 8.756 -0.849 6.893 1.00 0.00 O ATOM 0 H GLY A 893 5.384 1.144 6.614 1.00 0.00 H new ATOM 0 HA2 GLY A 893 6.569 0.949 8.510 1.00 0.00 H new ATOM 0 HA3 GLY A 893 6.479 -0.787 8.283 1.00 0.00 H new ATOM 921 N SER A 894 8.990 1.157 7.892 1.00 0.00 N ATOM 922 CA SER A 894 10.416 1.239 7.653 1.00 0.00 C ATOM 923 C SER A 894 10.675 1.796 6.260 1.00 0.00 C ATOM 924 O SER A 894 9.747 1.952 5.469 1.00 0.00 O ATOM 925 CB SER A 894 11.038 -0.147 7.805 1.00 0.00 C ATOM 926 OG SER A 894 10.716 -0.668 9.075 1.00 0.00 O ATOM 0 H SER A 894 8.600 1.959 8.387 1.00 0.00 H new ATOM 0 HA SER A 894 10.872 1.909 8.381 1.00 0.00 H new ATOM 0 HB2 SER A 894 10.669 -0.811 7.023 1.00 0.00 H new ATOM 0 HB3 SER A 894 12.120 -0.087 7.688 1.00 0.00 H new ATOM 0 HG SER A 894 11.113 -1.559 9.174 1.00 0.00 H new ATOM 932 N ARG A 895 11.941 2.094 5.961 1.00 0.00 N ATOM 933 CA ARG A 895 12.316 2.631 4.668 1.00 0.00 C ATOM 934 C ARG A 895 13.676 2.085 4.257 1.00 0.00 C ATOM 935 O ARG A 895 13.937 1.892 3.072 1.00 0.00 O ATOM 936 CB ARG A 895 12.345 4.155 4.740 1.00 0.00 C ATOM 937 CG ARG A 895 13.185 4.592 5.937 1.00 0.00 C ATOM 938 CD ARG A 895 13.497 6.081 5.824 1.00 0.00 C ATOM 939 NE ARG A 895 14.919 6.339 6.048 1.00 0.00 N ATOM 940 CZ ARG A 895 15.435 7.575 6.092 1.00 0.00 C ATOM 941 NH1 ARG A 895 14.637 8.640 5.930 1.00 0.00 N ATOM 942 NH2 ARG A 895 16.747 7.747 6.300 1.00 0.00 N ATOM 0 H ARG A 895 12.721 1.969 6.606 1.00 0.00 H new ATOM 0 HA ARG A 895 11.584 2.329 3.919 1.00 0.00 H new ATOM 0 HB2 ARG A 895 12.762 4.565 3.820 1.00 0.00 H new ATOM 0 HB3 ARG A 895 11.331 4.545 4.832 1.00 0.00 H new ATOM 0 HG2 ARG A 895 12.648 4.392 6.864 1.00 0.00 H new ATOM 0 HG3 ARG A 895 14.111 4.018 5.974 1.00 0.00 H new ATOM 0 HD2 ARG A 895 13.210 6.442 4.836 1.00 0.00 H new ATOM 0 HD3 ARG A 895 12.904 6.636 6.551 1.00 0.00 H new ATOM 0 HE ARG A 895 15.545 5.544 6.176 1.00 0.00 H new ATOM 0 HH11 ARG A 895 13.638 8.509 5.773 1.00 0.00 H new ATOM 0 HH12 ARG A 895 15.029 9.581 5.963 1.00 0.00 H new ATOM 0 HH21 ARG A 895 17.354 6.937 6.425 1.00 0.00 H new ATOM 0 HH22 ARG A 895 17.139 8.688 6.333 1.00 0.00 H new ATOM 956 N ASP A 896 14.543 1.836 5.241 1.00 0.00 N ATOM 957 CA ASP A 896 15.869 1.315 4.977 1.00 0.00 C ATOM 958 C ASP A 896 15.955 0.830 3.537 1.00 0.00 C ATOM 959 O ASP A 896 16.492 1.524 2.677 1.00 0.00 O ATOM 960 CB ASP A 896 16.172 0.179 5.950 1.00 0.00 C ATOM 961 CG ASP A 896 17.305 -0.694 5.431 1.00 0.00 C ATOM 962 OD1 ASP A 896 18.058 -0.193 4.568 1.00 0.00 O ATOM 963 OD2 ASP A 896 17.398 -1.846 5.908 1.00 0.00 O ATOM 0 H ASP A 896 14.341 1.990 6.229 1.00 0.00 H new ATOM 0 HA ASP A 896 16.609 2.103 5.119 1.00 0.00 H new ATOM 0 HB2 ASP A 896 16.441 0.590 6.923 1.00 0.00 H new ATOM 0 HB3 ASP A 896 15.278 -0.428 6.097 1.00 0.00 H new ATOM 968 N LYS A 897 15.422 -0.367 3.275 1.00 0.00 N ATOM 969 CA LYS A 897 15.442 -0.935 1.943 1.00 0.00 C ATOM 970 C LYS A 897 15.398 0.176 0.904 1.00 0.00 C ATOM 971 O LYS A 897 16.025 0.072 -0.147 1.00 0.00 O ATOM 972 CB LYS A 897 14.254 -1.879 1.775 1.00 0.00 C ATOM 973 CG LYS A 897 13.371 -1.809 3.018 1.00 0.00 C ATOM 974 CD LYS A 897 12.527 -0.539 2.972 1.00 0.00 C ATOM 975 CE LYS A 897 12.026 -0.209 4.376 1.00 0.00 C ATOM 976 NZ LYS A 897 10.654 0.319 4.336 1.00 0.00 N ATOM 0 H LYS A 897 14.972 -0.955 3.977 1.00 0.00 H new ATOM 0 HA LYS A 897 16.363 -1.500 1.801 1.00 0.00 H new ATOM 0 HB2 LYS A 897 13.679 -1.604 0.891 1.00 0.00 H new ATOM 0 HB3 LYS A 897 14.605 -2.899 1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 897 12.725 -2.686 3.068 1.00 0.00 H new ATOM 0 HG3 LYS A 897 13.988 -1.816 3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 897 13.118 0.289 2.581 1.00 0.00 H new ATOM 0 HD3 LYS A 897 11.683 -0.675 2.296 1.00 0.00 H new ATOM 0 HE2 LYS A 897 12.057 -1.104 4.997 1.00 0.00 H new ATOM 0 HE3 LYS A 897 12.688 0.523 4.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 897 10.228 0.250 5.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 897 10.674 1.315 4.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 897 10.089 -0.234 3.660 1.00 0.00 H new ATOM 990 N ASN A 898 14.654 1.244 1.202 1.00 0.00 N ATOM 991 CA ASN A 898 14.534 2.367 0.294 1.00 0.00 C ATOM 992 C ASN A 898 14.155 3.622 1.068 1.00 0.00 C ATOM 993 O ASN A 898 12.981 3.849 1.351 1.00 0.00 O ATOM 994 CB ASN A 898 13.485 2.050 -0.768 1.00 0.00 C ATOM 995 CG ASN A 898 13.355 3.196 -1.762 1.00 0.00 C ATOM 996 OD1 ASN A 898 13.385 4.362 -1.375 1.00 0.00 O ATOM 997 ND2 ASN A 898 13.212 2.861 -3.046 1.00 0.00 N ATOM 0 H ASN A 898 14.128 1.346 2.070 1.00 0.00 H new ATOM 0 HA ASN A 898 15.490 2.544 -0.198 1.00 0.00 H new ATOM 0 HB2 ASN A 898 13.759 1.136 -1.295 1.00 0.00 H new ATOM 0 HB3 ASN A 898 12.522 1.866 -0.291 1.00 0.00 H new ATOM 0 HD21 ASN A 898 13.122 3.588 -3.756 1.00 0.00 H new ATOM 0 HD22 ASN A 898 13.193 1.878 -3.318 1.00 0.00 H new ATOM 1004 N PRO A 899 15.155 4.437 1.410 1.00 0.00 N ATOM 1005 CA PRO A 899 14.986 5.673 2.144 1.00 0.00 C ATOM 1006 C PRO A 899 14.347 6.719 1.241 1.00 0.00 C ATOM 1007 O PRO A 899 13.907 7.765 1.714 1.00 0.00 O ATOM 1008 CB PRO A 899 16.400 6.087 2.546 1.00 0.00 C ATOM 1009 CG PRO A 899 17.254 5.515 1.416 1.00 0.00 C ATOM 1010 CD PRO A 899 16.547 4.200 1.094 1.00 0.00 C ATOM 0 HA PRO A 899 14.338 5.565 3.014 1.00 0.00 H new ATOM 0 HB2 PRO A 899 16.499 7.170 2.619 1.00 0.00 H new ATOM 0 HB3 PRO A 899 16.682 5.675 3.515 1.00 0.00 H new ATOM 0 HG2 PRO A 899 17.283 6.181 0.554 1.00 0.00 H new ATOM 0 HG3 PRO A 899 18.285 5.354 1.729 1.00 0.00 H new ATOM 0 HD2 PRO A 899 16.673 3.930 0.046 1.00 0.00 H new ATOM 0 HD3 PRO A 899 16.952 3.379 1.686 1.00 0.00 H new ATOM 1018 N ALA A 900 14.299 6.435 -0.063 1.00 0.00 N ATOM 1019 CA ALA A 900 13.719 7.352 -1.024 1.00 0.00 C ATOM 1020 C ALA A 900 12.239 7.043 -1.201 1.00 0.00 C ATOM 1021 O ALA A 900 11.560 7.686 -1.998 1.00 0.00 O ATOM 1022 CB ALA A 900 14.460 7.231 -2.352 1.00 0.00 C ATOM 0 H ALA A 900 14.659 5.572 -0.470 1.00 0.00 H new ATOM 0 HA ALA A 900 13.816 8.376 -0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 900 14.025 7.920 -3.076 1.00 0.00 H new ATOM 0 HB2 ALA A 900 15.512 7.476 -2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 900 14.373 6.211 -2.725 1.00 0.00 H new ATOM 1028 N ALA A 901 11.740 6.054 -0.455 1.00 0.00 N ATOM 1029 CA ALA A 901 10.347 5.665 -0.535 1.00 0.00 C ATOM 1030 C ALA A 901 9.550 6.376 0.550 1.00 0.00 C ATOM 1031 O ALA A 901 9.937 7.450 1.003 1.00 0.00 O ATOM 1032 CB ALA A 901 10.233 4.151 -0.386 1.00 0.00 C ATOM 0 H ALA A 901 12.290 5.512 0.211 1.00 0.00 H new ATOM 0 HA ALA A 901 9.940 5.953 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 901 9.185 3.857 -0.446 1.00 0.00 H new ATOM 0 HB2 ALA A 901 10.793 3.664 -1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 901 10.640 3.849 0.579 1.00 0.00 H new ATOM 1038 N GLN A 902 8.434 5.772 0.966 1.00 0.00 N ATOM 1039 CA GLN A 902 7.590 6.350 1.992 1.00 0.00 C ATOM 1040 C GLN A 902 7.363 5.337 3.105 1.00 0.00 C ATOM 1041 O GLN A 902 7.017 4.187 2.840 1.00 0.00 O ATOM 1042 CB GLN A 902 6.263 6.782 1.374 1.00 0.00 C ATOM 1043 CG GLN A 902 6.381 8.215 0.864 1.00 0.00 C ATOM 1044 CD GLN A 902 6.858 9.147 1.968 1.00 0.00 C ATOM 1045 OE1 GLN A 902 7.507 10.155 1.696 1.00 0.00 O ATOM 1046 NE2 GLN A 902 6.535 8.808 3.219 1.00 0.00 N ATOM 0 H GLN A 902 8.101 4.880 0.601 1.00 0.00 H new ATOM 0 HA GLN A 902 8.079 7.225 2.420 1.00 0.00 H new ATOM 0 HB2 GLN A 902 5.997 6.114 0.555 1.00 0.00 H new ATOM 0 HB3 GLN A 902 5.466 6.713 2.114 1.00 0.00 H new ATOM 0 HG2 GLN A 902 7.077 8.251 0.026 1.00 0.00 H new ATOM 0 HG3 GLN A 902 5.415 8.553 0.490 1.00 0.00 H new ATOM 0 HE21 GLN A 902 5.994 7.961 3.394 1.00 0.00 H new ATOM 0 HE22 GLN A 902 6.829 9.396 3.999 1.00 0.00 H new ATOM 1055 N GLN A 903 7.557 5.766 4.354 1.00 0.00 N ATOM 1056 CA GLN A 903 7.372 4.895 5.498 1.00 0.00 C ATOM 1057 C GLN A 903 5.912 4.909 5.928 1.00 0.00 C ATOM 1058 O GLN A 903 5.594 5.322 7.041 1.00 0.00 O ATOM 1059 CB GLN A 903 8.276 5.358 6.638 1.00 0.00 C ATOM 1060 CG GLN A 903 9.701 4.873 6.387 1.00 0.00 C ATOM 1061 CD GLN A 903 10.680 6.038 6.395 1.00 0.00 C ATOM 1062 OE1 GLN A 903 11.298 6.325 7.418 1.00 0.00 O ATOM 1063 NE2 GLN A 903 10.819 6.710 5.250 1.00 0.00 N ATOM 0 H GLN A 903 7.843 6.716 4.591 1.00 0.00 H new ATOM 0 HA GLN A 903 7.640 3.873 5.229 1.00 0.00 H new ATOM 0 HB2 GLN A 903 8.258 6.445 6.712 1.00 0.00 H new ATOM 0 HB3 GLN A 903 7.910 4.968 7.588 1.00 0.00 H new ATOM 0 HG2 GLN A 903 9.984 4.150 7.152 1.00 0.00 H new ATOM 0 HG3 GLN A 903 9.750 4.358 5.428 1.00 0.00 H new ATOM 0 HE21 GLN A 903 10.283 6.433 4.428 1.00 0.00 H new ATOM 0 HE22 GLN A 903 11.461 7.501 5.198 1.00 0.00 H new ATOM 1072 N VAL A 904 5.023 4.456 5.041 1.00 0.00 N ATOM 1073 CA VAL A 904 3.604 4.418 5.332 1.00 0.00 C ATOM 1074 C VAL A 904 3.285 3.194 6.179 1.00 0.00 C ATOM 1075 O VAL A 904 4.149 2.350 6.404 1.00 0.00 O ATOM 1076 CB VAL A 904 2.818 4.391 4.024 1.00 0.00 C ATOM 1077 CG1 VAL A 904 3.744 4.751 2.866 1.00 0.00 C ATOM 1078 CG2 VAL A 904 2.248 2.993 3.803 1.00 0.00 C ATOM 0 H VAL A 904 5.271 4.111 4.114 1.00 0.00 H new ATOM 0 HA VAL A 904 3.319 5.308 5.893 1.00 0.00 H new ATOM 0 HB VAL A 904 2.003 5.113 4.075 1.00 0.00 H new ATOM 0 HG11 VAL A 904 3.183 4.732 1.932 1.00 0.00 H new ATOM 0 HG12 VAL A 904 4.152 5.749 3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 904 4.559 4.029 2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 904 1.686 2.973 2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 904 3.063 2.271 3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 904 1.586 2.735 4.630 1.00 0.00 H new ATOM 1088 N SER A 905 2.038 3.099 6.647 1.00 0.00 N ATOM 1089 CA SER A 905 1.613 1.980 7.464 1.00 0.00 C ATOM 1090 C SER A 905 0.399 1.312 6.834 1.00 0.00 C ATOM 1091 O SER A 905 0.017 1.643 5.714 1.00 0.00 O ATOM 1092 CB SER A 905 1.290 2.472 8.872 1.00 0.00 C ATOM 1093 OG SER A 905 1.891 3.731 9.078 1.00 0.00 O ATOM 0 H SER A 905 1.309 3.790 6.469 1.00 0.00 H new ATOM 0 HA SER A 905 2.416 1.245 7.526 1.00 0.00 H new ATOM 0 HB2 SER A 905 0.211 2.546 9.004 1.00 0.00 H new ATOM 0 HB3 SER A 905 1.654 1.758 9.611 1.00 0.00 H new ATOM 0 HG SER A 905 2.530 3.671 9.819 1.00 0.00 H new ATOM 1099 N PRO A 906 -0.210 0.371 7.559 1.00 0.00 N ATOM 1100 CA PRO A 906 -1.377 -0.366 7.124 1.00 0.00 C ATOM 1101 C PRO A 906 -2.596 0.544 7.155 1.00 0.00 C ATOM 1102 O PRO A 906 -3.537 0.350 6.389 1.00 0.00 O ATOM 1103 CB PRO A 906 -1.518 -1.505 8.133 1.00 0.00 C ATOM 1104 CG PRO A 906 -0.934 -0.901 9.409 1.00 0.00 C ATOM 1105 CD PRO A 906 0.212 -0.043 8.879 1.00 0.00 C ATOM 0 HA PRO A 906 -1.287 -0.742 6.105 1.00 0.00 H new ATOM 0 HB2 PRO A 906 -2.558 -1.802 8.265 1.00 0.00 H new ATOM 0 HB3 PRO A 906 -0.971 -2.394 7.819 1.00 0.00 H new ATOM 0 HG2 PRO A 906 -1.670 -0.305 9.949 1.00 0.00 H new ATOM 0 HG3 PRO A 906 -0.580 -1.670 10.096 1.00 0.00 H new ATOM 0 HD2 PRO A 906 0.392 0.817 9.524 1.00 0.00 H new ATOM 0 HD3 PRO A 906 1.142 -0.610 8.836 1.00 0.00 H new ATOM 1113 N GLU A 907 -2.578 1.540 8.044 1.00 0.00 N ATOM 1114 CA GLU A 907 -3.681 2.471 8.167 1.00 0.00 C ATOM 1115 C GLU A 907 -3.687 3.429 6.984 1.00 0.00 C ATOM 1116 O GLU A 907 -4.731 3.970 6.624 1.00 0.00 O ATOM 1117 CB GLU A 907 -3.555 3.237 9.481 1.00 0.00 C ATOM 1118 CG GLU A 907 -3.964 2.331 10.639 1.00 0.00 C ATOM 1119 CD GLU A 907 -2.778 1.516 11.136 1.00 0.00 C ATOM 1120 OE1 GLU A 907 -1.649 2.046 11.049 1.00 0.00 O ATOM 1121 OE2 GLU A 907 -3.023 0.379 11.593 1.00 0.00 O ATOM 0 H GLU A 907 -1.806 1.715 8.687 1.00 0.00 H new ATOM 0 HA GLU A 907 -4.623 1.923 8.168 1.00 0.00 H new ATOM 0 HB2 GLU A 907 -2.529 3.579 9.618 1.00 0.00 H new ATOM 0 HB3 GLU A 907 -4.187 4.125 9.459 1.00 0.00 H new ATOM 0 HG2 GLU A 907 -4.363 2.934 11.454 1.00 0.00 H new ATOM 0 HG3 GLU A 907 -4.762 1.661 10.318 1.00 0.00 H new ATOM 1128 N TRP A 908 -2.517 3.638 6.376 1.00 0.00 N ATOM 1129 CA TRP A 908 -2.398 4.526 5.237 1.00 0.00 C ATOM 1130 C TRP A 908 -3.215 3.987 4.072 1.00 0.00 C ATOM 1131 O TRP A 908 -4.043 4.699 3.509 1.00 0.00 O ATOM 1132 CB TRP A 908 -0.928 4.661 4.851 1.00 0.00 C ATOM 1133 CG TRP A 908 -0.665 5.554 3.681 1.00 0.00 C ATOM 1134 CD1 TRP A 908 -0.665 6.905 3.715 1.00 0.00 C ATOM 1135 CD2 TRP A 908 -0.362 5.190 2.300 1.00 0.00 C ATOM 1136 NE1 TRP A 908 -0.385 7.398 2.458 1.00 0.00 N ATOM 1137 CE2 TRP A 908 -0.189 6.382 1.545 1.00 0.00 C ATOM 1138 CE3 TRP A 908 -0.216 3.975 1.607 1.00 0.00 C ATOM 1139 CZ2 TRP A 908 0.111 6.371 0.180 1.00 0.00 C ATOM 1140 CZ3 TRP A 908 0.086 3.952 0.238 1.00 0.00 C ATOM 1141 CH2 TRP A 908 0.250 5.145 -0.477 1.00 0.00 C ATOM 0 H TRP A 908 -1.641 3.199 6.661 1.00 0.00 H new ATOM 0 HA TRP A 908 -2.784 5.511 5.498 1.00 0.00 H new ATOM 0 HB2 TRP A 908 -0.375 5.040 5.710 1.00 0.00 H new ATOM 0 HB3 TRP A 908 -0.533 3.670 4.629 1.00 0.00 H new ATOM 0 HD1 TRP A 908 -0.855 7.506 4.592 1.00 0.00 H new ATOM 0 HE1 TRP A 908 -0.330 8.391 2.231 1.00 0.00 H new ATOM 0 HE3 TRP A 908 -0.339 3.043 2.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 908 0.234 7.298 -0.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 908 0.193 3.005 -0.270 1.00 0.00 H new ATOM 0 HH2 TRP A 908 0.483 5.118 -1.531 1.00 0.00 H new ATOM 1152 N ILE A 909 -2.980 2.723 3.711 1.00 0.00 N ATOM 1153 CA ILE A 909 -3.693 2.093 2.618 1.00 0.00 C ATOM 1154 C ILE A 909 -5.185 2.361 2.754 1.00 0.00 C ATOM 1155 O ILE A 909 -5.808 2.890 1.837 1.00 0.00 O ATOM 1156 CB ILE A 909 -3.409 0.593 2.625 1.00 0.00 C ATOM 1157 CG1 ILE A 909 -2.149 0.310 1.812 1.00 0.00 C ATOM 1158 CG2 ILE A 909 -4.590 -0.150 2.008 1.00 0.00 C ATOM 1159 CD1 ILE A 909 -1.109 -0.361 2.704 1.00 0.00 C ATOM 0 H ILE A 909 -2.296 2.120 4.168 1.00 0.00 H new ATOM 0 HA ILE A 909 -3.355 2.509 1.669 1.00 0.00 H new ATOM 0 HB ILE A 909 -3.263 0.255 3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 909 -2.387 -0.333 0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 909 -1.750 1.239 1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 909 -4.388 -1.221 2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 909 -5.490 0.052 2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 909 -4.736 0.187 0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 909 -0.209 -0.564 2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 909 -0.864 0.299 3.536 1.00 0.00 H new ATOM 0 HD13 ILE A 909 -1.511 -1.298 3.090 1.00 0.00 H new ATOM 1171 N TRP A 910 -5.758 1.995 3.903 1.00 0.00 N ATOM 1172 CA TRP A 910 -7.172 2.201 4.148 1.00 0.00 C ATOM 1173 C TRP A 910 -7.553 3.634 3.806 1.00 0.00 C ATOM 1174 O TRP A 910 -8.243 3.877 2.818 1.00 0.00 O ATOM 1175 CB TRP A 910 -7.484 1.893 5.610 1.00 0.00 C ATOM 1176 CG TRP A 910 -7.069 0.532 6.068 1.00 0.00 C ATOM 1177 CD1 TRP A 910 -6.379 0.266 7.199 1.00 0.00 C ATOM 1178 CD2 TRP A 910 -7.302 -0.761 5.431 1.00 0.00 C ATOM 1179 NE1 TRP A 910 -6.170 -1.093 7.304 1.00 0.00 N ATOM 1180 CE2 TRP A 910 -6.720 -1.775 6.238 1.00 0.00 C ATOM 1181 CE3 TRP A 910 -7.946 -1.180 4.253 1.00 0.00 C ATOM 1182 CZ2 TRP A 910 -6.772 -3.130 5.897 1.00 0.00 C ATOM 1183 CZ3 TRP A 910 -8.005 -2.536 3.901 1.00 0.00 C ATOM 1184 CH2 TRP A 910 -7.420 -3.511 4.719 1.00 0.00 C ATOM 0 H TRP A 910 -5.257 1.554 4.674 1.00 0.00 H new ATOM 0 HA TRP A 910 -7.755 1.531 3.516 1.00 0.00 H new ATOM 0 HB2 TRP A 910 -6.992 2.637 6.236 1.00 0.00 H new ATOM 0 HB3 TRP A 910 -8.557 2.002 5.768 1.00 0.00 H new ATOM 0 HD1 TRP A 910 -6.043 1.005 7.912 1.00 0.00 H new ATOM 0 HE1 TRP A 910 -5.671 -1.539 8.074 1.00 0.00 H new ATOM 0 HE3 TRP A 910 -8.403 -0.444 3.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 910 -6.317 -3.873 6.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 910 -8.506 -2.831 2.991 1.00 0.00 H new ATOM 0 HH2 TRP A 910 -7.470 -4.553 4.440 1.00 0.00 H new ATOM 1195 N ALA A 911 -7.101 4.585 4.626 1.00 0.00 N ATOM 1196 CA ALA A 911 -7.397 5.987 4.408 1.00 0.00 C ATOM 1197 C ALA A 911 -7.157 6.343 2.948 1.00 0.00 C ATOM 1198 O ALA A 911 -7.956 7.053 2.341 1.00 0.00 O ATOM 1199 CB ALA A 911 -6.522 6.839 5.324 1.00 0.00 C ATOM 0 H ALA A 911 -6.527 4.400 5.448 1.00 0.00 H new ATOM 0 HA ALA A 911 -8.443 6.183 4.642 1.00 0.00 H new ATOM 0 HB1 ALA A 911 -6.744 7.894 5.161 1.00 0.00 H new ATOM 0 HB2 ALA A 911 -6.725 6.582 6.364 1.00 0.00 H new ATOM 0 HB3 ALA A 911 -5.472 6.651 5.102 1.00 0.00 H new ATOM 1205 N CYS A 912 -6.053 5.848 2.386 1.00 0.00 N ATOM 1206 CA CYS A 912 -5.709 6.112 1.003 1.00 0.00 C ATOM 1207 C CYS A 912 -6.658 5.351 0.088 1.00 0.00 C ATOM 1208 O CYS A 912 -6.967 5.813 -1.008 1.00 0.00 O ATOM 1209 CB CYS A 912 -4.263 5.697 0.750 1.00 0.00 C ATOM 1210 SG CYS A 912 -3.214 6.436 2.027 1.00 0.00 S ATOM 0 H CYS A 912 -5.382 5.258 2.879 1.00 0.00 H new ATOM 0 HA CYS A 912 -5.806 7.177 0.794 1.00 0.00 H new ATOM 0 HB2 CYS A 912 -4.173 4.611 0.769 1.00 0.00 H new ATOM 0 HB3 CYS A 912 -3.943 6.026 -0.239 1.00 0.00 H new ATOM 0 HG CYS A 912 -1.978 6.086 1.829 1.00 0.00 H new ATOM 1216 N ILE A 913 -7.121 4.183 0.540 1.00 0.00 N ATOM 1217 CA ILE A 913 -8.031 3.367 -0.237 1.00 0.00 C ATOM 1218 C ILE A 913 -9.281 4.167 -0.574 1.00 0.00 C ATOM 1219 O ILE A 913 -9.603 4.356 -1.745 1.00 0.00 O ATOM 1220 CB ILE A 913 -8.389 2.111 0.553 1.00 0.00 C ATOM 1221 CG1 ILE A 913 -7.117 1.330 0.871 1.00 0.00 C ATOM 1222 CG2 ILE A 913 -9.327 1.239 -0.275 1.00 0.00 C ATOM 1223 CD1 ILE A 913 -7.481 -0.102 1.252 1.00 0.00 C ATOM 0 H ILE A 913 -6.873 3.787 1.447 1.00 0.00 H new ATOM 0 HA ILE A 913 -7.552 3.069 -1.170 1.00 0.00 H new ATOM 0 HB ILE A 913 -8.883 2.395 1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 913 -6.452 1.330 0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 913 -6.578 1.809 1.688 1.00 0.00 H new ATOM 0 HG21 ILE A 913 -9.583 0.342 0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 913 -10.236 1.796 -0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 913 -8.834 0.955 -1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 913 -6.573 -0.660 1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 913 -8.129 -0.092 2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 913 -8.001 -0.578 0.421 1.00 0.00 H new ATOM 1235 N ARG A 914 -9.986 4.639 0.457 1.00 0.00 N ATOM 1236 CA ARG A 914 -11.195 5.414 0.266 1.00 0.00 C ATOM 1237 C ARG A 914 -10.854 6.750 -0.379 1.00 0.00 C ATOM 1238 O ARG A 914 -11.569 7.215 -1.264 1.00 0.00 O ATOM 1239 CB ARG A 914 -11.882 5.624 1.612 1.00 0.00 C ATOM 1240 CG ARG A 914 -13.388 5.438 1.449 1.00 0.00 C ATOM 1241 CD ARG A 914 -14.008 6.735 0.935 1.00 0.00 C ATOM 1242 NE ARG A 914 -14.632 7.487 2.024 1.00 0.00 N ATOM 1243 CZ ARG A 914 -15.032 8.759 1.891 1.00 0.00 C ATOM 1244 NH1 ARG A 914 -14.867 9.395 0.723 1.00 0.00 N ATOM 1245 NH2 ARG A 914 -15.596 9.395 2.927 1.00 0.00 N ATOM 0 H ARG A 914 -9.731 4.492 1.434 1.00 0.00 H new ATOM 0 HA ARG A 914 -11.876 4.877 -0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 914 -11.495 4.916 2.345 1.00 0.00 H new ATOM 0 HB3 ARG A 914 -11.667 6.623 1.990 1.00 0.00 H new ATOM 0 HG2 ARG A 914 -13.592 4.624 0.753 1.00 0.00 H new ATOM 0 HG3 ARG A 914 -13.836 5.161 2.403 1.00 0.00 H new ATOM 0 HD2 ARG A 914 -13.240 7.346 0.460 1.00 0.00 H new ATOM 0 HD3 ARG A 914 -14.752 6.509 0.172 1.00 0.00 H new ATOM 0 HE ARG A 914 -14.768 7.023 2.922 1.00 0.00 H new ATOM 0 HH11 ARG A 914 -14.437 8.911 -0.065 1.00 0.00 H new ATOM 0 HH12 ARG A 914 -15.172 10.363 0.622 1.00 0.00 H new ATOM 0 HH21 ARG A 914 -15.721 8.911 3.816 1.00 0.00 H new ATOM 0 HH22 ARG A 914 -15.901 10.363 2.826 1.00 0.00 H new ATOM 1259 N LYS A 915 -9.758 7.368 0.067 1.00 0.00 N ATOM 1260 CA LYS A 915 -9.330 8.645 -0.468 1.00 0.00 C ATOM 1261 C LYS A 915 -9.104 8.528 -1.969 1.00 0.00 C ATOM 1262 O LYS A 915 -8.733 9.501 -2.621 1.00 0.00 O ATOM 1263 CB LYS A 915 -8.053 9.090 0.238 1.00 0.00 C ATOM 1264 CG LYS A 915 -8.390 9.562 1.649 1.00 0.00 C ATOM 1265 CD LYS A 915 -9.033 10.945 1.583 1.00 0.00 C ATOM 1266 CE LYS A 915 -9.685 11.267 2.925 1.00 0.00 C ATOM 1267 NZ LYS A 915 -8.804 12.108 3.751 1.00 0.00 N ATOM 0 H LYS A 915 -9.154 6.996 0.800 1.00 0.00 H new ATOM 0 HA LYS A 915 -10.104 9.393 -0.295 1.00 0.00 H new ATOM 0 HB2 LYS A 915 -7.341 8.265 0.279 1.00 0.00 H new ATOM 0 HB3 LYS A 915 -7.577 9.895 -0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 915 -9.069 8.856 2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 915 -7.486 9.598 2.257 1.00 0.00 H new ATOM 0 HD2 LYS A 915 -8.281 11.696 1.342 1.00 0.00 H new ATOM 0 HD3 LYS A 915 -9.778 10.974 0.788 1.00 0.00 H new ATOM 0 HE2 LYS A 915 -10.632 11.780 2.759 1.00 0.00 H new ATOM 0 HE3 LYS A 915 -9.912 10.342 3.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 915 -9.270 12.313 4.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 915 -7.910 11.606 3.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 915 -8.609 13.000 3.253 1.00 0.00 H new ATOM 1281 N ARG A 916 -9.328 7.330 -2.515 1.00 0.00 N ATOM 1282 CA ARG A 916 -9.147 7.091 -3.933 1.00 0.00 C ATOM 1283 C ARG A 916 -7.810 7.660 -4.385 1.00 0.00 C ATOM 1284 O ARG A 916 -7.561 7.788 -5.582 1.00 0.00 O ATOM 1285 CB ARG A 916 -10.296 7.731 -4.707 1.00 0.00 C ATOM 1286 CG ARG A 916 -11.365 6.680 -4.991 1.00 0.00 C ATOM 1287 CD ARG A 916 -12.045 6.278 -3.685 1.00 0.00 C ATOM 1288 NE ARG A 916 -12.802 7.396 -3.122 1.00 0.00 N ATOM 1289 CZ ARG A 916 -14.065 7.670 -3.476 1.00 0.00 C ATOM 1290 NH1 ARG A 916 -14.687 6.904 -4.383 1.00 0.00 N ATOM 1291 NH2 ARG A 916 -14.705 8.709 -2.925 1.00 0.00 N ATOM 0 H ARG A 916 -9.636 6.513 -1.987 1.00 0.00 H new ATOM 0 HA ARG A 916 -9.148 6.019 -4.128 1.00 0.00 H new ATOM 0 HB2 ARG A 916 -10.723 8.553 -4.132 1.00 0.00 H new ATOM 0 HB3 ARG A 916 -9.928 8.153 -5.642 1.00 0.00 H new ATOM 0 HG2 ARG A 916 -12.102 7.075 -5.690 1.00 0.00 H new ATOM 0 HG3 ARG A 916 -10.915 5.807 -5.463 1.00 0.00 H new ATOM 0 HD2 ARG A 916 -12.713 5.435 -3.863 1.00 0.00 H new ATOM 0 HD3 ARG A 916 -11.295 5.944 -2.968 1.00 0.00 H new ATOM 0 HE ARG A 916 -12.349 7.993 -2.430 1.00 0.00 H new ATOM 0 HH11 ARG A 916 -14.199 6.113 -4.803 1.00 0.00 H new ATOM 0 HH12 ARG A 916 -15.648 7.112 -4.653 1.00 0.00 H new ATOM 0 HH21 ARG A 916 -14.231 9.292 -2.235 1.00 0.00 H new ATOM 0 HH22 ARG A 916 -15.666 8.917 -3.195 1.00 0.00 H new ATOM 1305 N ARG A 917 -6.949 8.001 -3.424 1.00 0.00 N ATOM 1306 CA ARG A 917 -5.644 8.554 -3.727 1.00 0.00 C ATOM 1307 C ARG A 917 -4.684 8.269 -2.581 1.00 0.00 C ATOM 1308 O ARG A 917 -5.005 7.500 -1.677 1.00 0.00 O ATOM 1309 CB ARG A 917 -5.772 10.056 -3.964 1.00 0.00 C ATOM 1310 CG ARG A 917 -6.198 10.741 -2.668 1.00 0.00 C ATOM 1311 CD ARG A 917 -4.981 10.925 -1.766 1.00 0.00 C ATOM 1312 NE ARG A 917 -5.163 12.064 -0.865 1.00 0.00 N ATOM 1313 CZ ARG A 917 -5.109 13.336 -1.283 1.00 0.00 C ATOM 1314 NH1 ARG A 917 -4.881 13.608 -2.575 1.00 0.00 N ATOM 1315 NH2 ARG A 917 -5.282 14.336 -0.409 1.00 0.00 N ATOM 0 H ARG A 917 -7.141 7.900 -2.427 1.00 0.00 H new ATOM 0 HA ARG A 917 -5.248 8.089 -4.630 1.00 0.00 H new ATOM 0 HB2 ARG A 917 -4.821 10.463 -4.308 1.00 0.00 H new ATOM 0 HB3 ARG A 917 -6.504 10.250 -4.748 1.00 0.00 H new ATOM 0 HG2 ARG A 917 -6.651 11.708 -2.887 1.00 0.00 H new ATOM 0 HG3 ARG A 917 -6.954 10.143 -2.159 1.00 0.00 H new ATOM 0 HD2 ARG A 917 -4.815 10.019 -1.183 1.00 0.00 H new ATOM 0 HD3 ARG A 917 -4.091 11.078 -2.377 1.00 0.00 H new ATOM 0 HE ARG A 917 -5.338 11.882 0.123 1.00 0.00 H new ATOM 0 HH11 ARG A 917 -4.748 12.847 -3.241 1.00 0.00 H new ATOM 0 HH12 ARG A 917 -4.840 14.576 -2.893 1.00 0.00 H new ATOM 0 HH21 ARG A 917 -5.455 14.129 0.575 1.00 0.00 H new ATOM 0 HH22 ARG A 917 -5.241 15.304 -0.727 1.00 0.00 H new ATOM 1329 N LEU A 918 -3.504 8.891 -2.620 1.00 0.00 N ATOM 1330 CA LEU A 918 -2.505 8.702 -1.586 1.00 0.00 C ATOM 1331 C LEU A 918 -2.625 9.805 -0.544 1.00 0.00 C ATOM 1332 O LEU A 918 -2.605 10.986 -0.881 1.00 0.00 O ATOM 1333 CB LEU A 918 -1.115 8.704 -2.217 1.00 0.00 C ATOM 1334 CG LEU A 918 -0.914 7.414 -3.007 1.00 0.00 C ATOM 1335 CD1 LEU A 918 -1.720 6.291 -2.361 1.00 0.00 C ATOM 1336 CD2 LEU A 918 -1.386 7.619 -4.444 1.00 0.00 C ATOM 0 H LEU A 918 -3.223 9.531 -3.363 1.00 0.00 H new ATOM 0 HA LEU A 918 -2.665 7.744 -1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 918 -1.003 9.567 -2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 918 -0.353 8.792 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 918 0.143 7.148 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 918 -1.577 5.369 -2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 918 -1.383 6.145 -1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 918 -2.777 6.556 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 918 -1.243 6.698 -5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 918 -2.443 7.885 -4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 918 -0.810 8.421 -4.905 1.00 0.00 H new ATOM 1348 N VAL A 919 -2.751 9.415 0.727 1.00 0.00 N ATOM 1349 CA VAL A 919 -2.873 10.368 1.811 1.00 0.00 C ATOM 1350 C VAL A 919 -1.536 10.513 2.523 1.00 0.00 C ATOM 1351 O VAL A 919 -0.497 10.144 1.979 1.00 0.00 O ATOM 1352 CB VAL A 919 -3.954 9.900 2.780 1.00 0.00 C ATOM 1353 CG1 VAL A 919 -4.936 8.991 2.047 1.00 0.00 C ATOM 1354 CG2 VAL A 919 -3.308 9.129 3.928 1.00 0.00 C ATOM 0 H VAL A 919 -2.770 8.439 1.022 1.00 0.00 H new ATOM 0 HA VAL A 919 -3.158 11.342 1.413 1.00 0.00 H new ATOM 0 HB VAL A 919 -4.486 10.765 3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 919 -5.709 8.657 2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 919 -5.397 9.540 1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 919 -4.405 8.126 1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 919 -4.080 8.794 4.621 1.00 0.00 H new ATOM 0 HG22 VAL A 919 -2.776 8.264 3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 919 -2.606 9.777 4.452 1.00 0.00 H new ATOM 1364 N ALA A 920 -1.563 11.052 3.744 1.00 0.00 N ATOM 1365 CA ALA A 920 -0.356 11.242 4.523 1.00 0.00 C ATOM 1366 C ALA A 920 0.176 9.894 4.987 1.00 0.00 C ATOM 1367 O ALA A 920 -0.457 9.220 5.797 1.00 0.00 O ATOM 1368 CB ALA A 920 -0.658 12.144 5.716 1.00 0.00 C ATOM 0 H ALA A 920 -2.416 11.363 4.209 1.00 0.00 H new ATOM 0 HA ALA A 920 0.407 11.719 3.908 1.00 0.00 H new ATOM 0 HB1 ALA A 920 0.249 12.287 6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 920 -1.017 13.110 5.360 1.00 0.00 H new ATOM 0 HB3 ALA A 920 -1.423 11.680 6.339 1.00 0.00 H new ATOM 1374 N PRO A 921 1.344 9.502 4.472 1.00 0.00 N ATOM 1375 CA PRO A 921 2.001 8.254 4.798 1.00 0.00 C ATOM 1376 C PRO A 921 2.568 8.329 6.208 1.00 0.00 C ATOM 1377 O PRO A 921 3.221 9.307 6.566 1.00 0.00 O ATOM 1378 CB PRO A 921 3.118 8.119 3.765 1.00 0.00 C ATOM 1379 CG PRO A 921 3.473 9.574 3.458 1.00 0.00 C ATOM 1380 CD PRO A 921 2.115 10.269 3.518 1.00 0.00 C ATOM 0 HA PRO A 921 1.326 7.399 4.772 1.00 0.00 H new ATOM 0 HB2 PRO A 921 3.972 7.569 4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 921 2.783 7.588 2.874 1.00 0.00 H new ATOM 0 HG2 PRO A 921 4.170 9.984 4.189 1.00 0.00 H new ATOM 0 HG3 PRO A 921 3.939 9.679 2.478 1.00 0.00 H new ATOM 0 HD2 PRO A 921 2.216 11.307 3.836 1.00 0.00 H new ATOM 0 HD3 PRO A 921 1.634 10.281 2.540 1.00 0.00 H new ATOM 1388 N CYS A 922 2.315 7.291 7.009 1.00 0.00 N ATOM 1389 CA CYS A 922 2.797 7.239 8.375 1.00 0.00 C ATOM 1390 C CYS A 922 3.055 5.792 8.770 1.00 0.00 C ATOM 1391 O CYS A 922 3.298 5.501 9.939 1.00 0.00 O ATOM 1392 CB CYS A 922 1.767 7.879 9.302 1.00 0.00 C ATOM 1393 SG CYS A 922 2.613 8.473 10.788 1.00 0.00 S ATOM 0 H CYS A 922 1.775 6.474 6.724 1.00 0.00 H new ATOM 0 HA CYS A 922 3.732 7.792 8.459 1.00 0.00 H new ATOM 0 HB2 CYS A 922 1.266 8.705 8.797 1.00 0.00 H new ATOM 0 HB3 CYS A 922 0.998 7.155 9.569 1.00 0.00 H new ATOM 0 HG CYS A 922 1.749 9.024 11.588 1.00 0.00 H new TER 1399 CYS A 922