USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=20 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 Set 1.1: A 889 THR OG1 : rot 160:sc= -1.86 USER MOD Set 1.2: A 890 HIS : no HE2:sc= -39.2! C(o=-41!,f=-51!) USER MOD Single : A 836 SER OG : rot 180:sc= 0 USER MOD Single : A 840 THR OG1 : rot 180:sc= -0.09 USER MOD Single : A 842 CYS SG : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 852 THR OG1 : rot 180:sc= 0 USER MOD Single : A 857 TYR OH : rot 180:sc= -0.0193 USER MOD Single : A 861 SER OG : rot 180:sc= 0 USER MOD Single : A 862 THR OG1 : rot -113:sc= -0.616 USER MOD Single : A 866 SER OG : rot 180:sc= 0 USER MOD Single : A 871 TYR OH : rot -104:sc= -2.68! USER MOD Single : A 881 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 885 MET CE :methyl -140:sc= -23.7! (180deg=-30.6!) USER MOD Single : A 886 THR OG1 : rot 180:sc= -0.575 USER MOD Single : A 887 SER OG : rot 180:sc= 0 USER MOD Single : A 894 SER OG : rot 180:sc= 0 USER MOD Single : A 897 LYS NZ :NH3+ 150:sc= -18.9! (180deg=-22.7!) USER MOD Single : A 898 ASN : amide:sc= -9.65! C(o=-9.7!,f=-8.8!) USER MOD Single : A 902 GLN : amide:sc= -6.52! C(o=-6.5!,f=-2.6!) USER MOD Single : A 903 GLN : amide:sc= -17.5! C(o=-17!,f=-7.9!) USER MOD Single : A 905 SER OG : rot 158:sc= -1.01! USER MOD Single : A 912 CYS SG : rot -174:sc= -15.6! USER MOD Single : A 915 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 922 CYS SG : rot 1:sc= 0.858 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 835 -12.093 -6.013 10.139 1.00 0.00 N ATOM 2 CA GLY A 835 -12.550 -4.699 10.544 1.00 0.00 C ATOM 3 C GLY A 835 -12.495 -3.735 9.367 1.00 0.00 C ATOM 4 O GLY A 835 -13.289 -3.844 8.435 1.00 0.00 O ATOM 0 HA2 GLY A 835 -13.570 -4.762 10.924 1.00 0.00 H new ATOM 0 HA3 GLY A 835 -11.929 -4.325 11.358 1.00 0.00 H new ATOM 8 N SER A 836 -11.553 -2.790 9.412 1.00 0.00 N ATOM 9 CA SER A 836 -11.399 -1.815 8.351 1.00 0.00 C ATOM 10 C SER A 836 -11.313 -2.524 7.006 1.00 0.00 C ATOM 11 O SER A 836 -12.280 -2.542 6.248 1.00 0.00 O ATOM 12 CB SER A 836 -10.146 -0.982 8.605 1.00 0.00 C ATOM 13 OG SER A 836 -10.511 0.250 9.186 1.00 0.00 O ATOM 0 H SER A 836 -10.888 -2.686 10.178 1.00 0.00 H new ATOM 0 HA SER A 836 -12.263 -1.151 8.334 1.00 0.00 H new ATOM 0 HB2 SER A 836 -9.466 -1.520 9.265 1.00 0.00 H new ATOM 0 HB3 SER A 836 -9.614 -0.812 7.669 1.00 0.00 H new ATOM 0 HG SER A 836 -9.707 0.785 9.351 1.00 0.00 H new ATOM 19 N ALA A 837 -10.150 -3.109 6.713 1.00 0.00 N ATOM 20 CA ALA A 837 -9.943 -3.814 5.464 1.00 0.00 C ATOM 21 C ALA A 837 -11.216 -4.550 5.070 1.00 0.00 C ATOM 22 O ALA A 837 -11.809 -4.258 4.035 1.00 0.00 O ATOM 23 CB ALA A 837 -8.780 -4.790 5.619 1.00 0.00 C ATOM 0 H ALA A 837 -9.339 -3.104 7.332 1.00 0.00 H new ATOM 0 HA ALA A 837 -9.700 -3.102 4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -8.623 -5.321 4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -7.876 -4.240 5.880 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -9.009 -5.507 6.407 1.00 0.00 H new ATOM 29 N ASP A 838 -11.634 -5.508 5.900 1.00 0.00 N ATOM 30 CA ASP A 838 -12.832 -6.280 5.635 1.00 0.00 C ATOM 31 C ASP A 838 -13.968 -5.348 5.241 1.00 0.00 C ATOM 32 O ASP A 838 -14.728 -5.646 4.323 1.00 0.00 O ATOM 33 CB ASP A 838 -13.200 -7.089 6.875 1.00 0.00 C ATOM 34 CG ASP A 838 -12.031 -7.954 7.327 1.00 0.00 C ATOM 35 OD1 ASP A 838 -10.927 -7.386 7.468 1.00 0.00 O ATOM 36 OD2 ASP A 838 -12.265 -9.166 7.523 1.00 0.00 O ATOM 0 H ASP A 838 -11.153 -5.762 6.763 1.00 0.00 H new ATOM 0 HA ASP A 838 -12.651 -6.969 4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -13.491 -6.415 7.680 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -14.062 -7.720 6.660 1.00 0.00 H new ATOM 41 N GLU A 839 -14.085 -4.216 5.940 1.00 0.00 N ATOM 42 CA GLU A 839 -15.127 -3.250 5.657 1.00 0.00 C ATOM 43 C GLU A 839 -14.798 -2.490 4.379 1.00 0.00 C ATOM 44 O GLU A 839 -15.692 -1.963 3.720 1.00 0.00 O ATOM 45 CB GLU A 839 -15.263 -2.291 6.836 1.00 0.00 C ATOM 46 CG GLU A 839 -16.187 -2.904 7.885 1.00 0.00 C ATOM 47 CD GLU A 839 -15.861 -4.374 8.104 1.00 0.00 C ATOM 48 OE1 GLU A 839 -16.096 -5.154 7.156 1.00 0.00 O ATOM 49 OE2 GLU A 839 -15.383 -4.691 9.214 1.00 0.00 O ATOM 0 H GLU A 839 -13.465 -3.954 6.706 1.00 0.00 H new ATOM 0 HA GLU A 839 -16.076 -3.767 5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 839 -14.284 -2.091 7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 839 -15.663 -1.335 6.497 1.00 0.00 H new ATOM 0 HG2 GLU A 839 -16.087 -2.361 8.825 1.00 0.00 H new ATOM 0 HG3 GLU A 839 -17.224 -2.801 7.566 1.00 0.00 H new ATOM 56 N THR A 840 -13.511 -2.435 4.030 1.00 0.00 N ATOM 57 CA THR A 840 -13.076 -1.742 2.834 1.00 0.00 C ATOM 58 C THR A 840 -13.215 -2.656 1.625 1.00 0.00 C ATOM 59 O THR A 840 -13.755 -2.252 0.597 1.00 0.00 O ATOM 60 CB THR A 840 -11.628 -1.291 3.007 1.00 0.00 C ATOM 61 OG1 THR A 840 -11.432 -0.839 4.328 1.00 0.00 O ATOM 62 CG2 THR A 840 -11.328 -0.157 2.031 1.00 0.00 C ATOM 0 H THR A 840 -12.757 -2.866 4.565 1.00 0.00 H new ATOM 0 HA THR A 840 -13.701 -0.864 2.672 1.00 0.00 H new ATOM 0 HB THR A 840 -10.960 -2.128 2.806 1.00 0.00 H new ATOM 0 HG1 THR A 840 -10.502 -0.551 4.441 1.00 0.00 H new ATOM 0 HG21 THR A 840 -10.294 0.165 2.154 1.00 0.00 H new ATOM 0 HG22 THR A 840 -11.480 -0.506 1.010 1.00 0.00 H new ATOM 0 HG23 THR A 840 -11.996 0.681 2.231 1.00 0.00 H new ATOM 70 N LEU A 841 -12.727 -3.892 1.751 1.00 0.00 N ATOM 71 CA LEU A 841 -12.799 -4.856 0.671 1.00 0.00 C ATOM 72 C LEU A 841 -14.247 -5.261 0.436 1.00 0.00 C ATOM 73 O LEU A 841 -14.535 -6.053 -0.458 1.00 0.00 O ATOM 74 CB LEU A 841 -11.947 -6.073 1.020 1.00 0.00 C ATOM 75 CG LEU A 841 -10.509 -5.834 0.569 1.00 0.00 C ATOM 76 CD1 LEU A 841 -10.338 -6.323 -0.866 1.00 0.00 C ATOM 77 CD2 LEU A 841 -10.197 -4.342 0.638 1.00 0.00 C ATOM 0 H LEU A 841 -12.278 -4.242 2.597 1.00 0.00 H new ATOM 0 HA LEU A 841 -12.414 -4.410 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 841 -11.977 -6.255 2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 841 -12.348 -6.963 0.535 1.00 0.00 H new ATOM 0 HG LEU A 841 -9.828 -6.379 1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 841 -9.311 -6.152 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 841 -10.562 -7.389 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 841 -11.019 -5.778 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 841 -9.170 -4.170 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 841 -10.878 -3.797 -0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 841 -10.320 -3.992 1.663 1.00 0.00 H new ATOM 89 N CYS A 842 -15.159 -4.714 1.244 1.00 0.00 N ATOM 90 CA CYS A 842 -16.571 -5.016 1.124 1.00 0.00 C ATOM 91 C CYS A 842 -17.044 -4.692 -0.286 1.00 0.00 C ATOM 92 O CYS A 842 -18.196 -4.949 -0.629 1.00 0.00 O ATOM 93 CB CYS A 842 -17.353 -4.208 2.157 1.00 0.00 C ATOM 94 SG CYS A 842 -18.860 -5.115 2.585 1.00 0.00 S ATOM 0 H CYS A 842 -14.933 -4.056 1.990 1.00 0.00 H new ATOM 0 HA CYS A 842 -16.740 -6.077 1.310 1.00 0.00 H new ATOM 0 HB2 CYS A 842 -16.745 -4.044 3.047 1.00 0.00 H new ATOM 0 HB3 CYS A 842 -17.604 -3.226 1.757 1.00 0.00 H new ATOM 0 HG CYS A 842 -19.537 -4.440 3.466 1.00 0.00 H new ATOM 100 N GLN A 843 -16.153 -4.127 -1.103 1.00 0.00 N ATOM 101 CA GLN A 843 -16.485 -3.772 -2.468 1.00 0.00 C ATOM 102 C GLN A 843 -15.614 -4.562 -3.435 1.00 0.00 C ATOM 103 O GLN A 843 -14.728 -4.001 -4.076 1.00 0.00 O ATOM 104 CB GLN A 843 -16.287 -2.272 -2.665 1.00 0.00 C ATOM 105 CG GLN A 843 -16.740 -1.530 -1.411 1.00 0.00 C ATOM 106 CD GLN A 843 -17.958 -0.666 -1.701 1.00 0.00 C ATOM 107 OE1 GLN A 843 -17.840 0.391 -2.318 1.00 0.00 O ATOM 108 NE2 GLN A 843 -19.133 -1.118 -1.254 1.00 0.00 N ATOM 0 H GLN A 843 -15.194 -3.908 -0.833 1.00 0.00 H new ATOM 0 HA GLN A 843 -17.528 -4.018 -2.667 1.00 0.00 H new ATOM 0 HB2 GLN A 843 -15.238 -2.057 -2.869 1.00 0.00 H new ATOM 0 HB3 GLN A 843 -16.857 -1.930 -3.529 1.00 0.00 H new ATOM 0 HG2 GLN A 843 -16.977 -2.247 -0.625 1.00 0.00 H new ATOM 0 HG3 GLN A 843 -15.927 -0.906 -1.039 1.00 0.00 H new ATOM 0 HE21 GLN A 843 -19.180 -2.002 -0.747 1.00 0.00 H new ATOM 0 HE22 GLN A 843 -19.983 -0.579 -1.420 1.00 0.00 H new ATOM 117 N THR A 844 -15.867 -5.869 -3.539 1.00 0.00 N ATOM 118 CA THR A 844 -15.105 -6.724 -4.427 1.00 0.00 C ATOM 119 C THR A 844 -13.650 -6.767 -3.983 1.00 0.00 C ATOM 120 O THR A 844 -13.199 -7.762 -3.420 1.00 0.00 O ATOM 121 CB THR A 844 -15.219 -6.201 -5.856 1.00 0.00 C ATOM 122 OG1 THR A 844 -15.707 -7.224 -6.694 1.00 0.00 O ATOM 123 CG2 THR A 844 -13.844 -5.756 -6.346 1.00 0.00 C ATOM 0 H THR A 844 -16.597 -6.351 -3.014 1.00 0.00 H new ATOM 0 HA THR A 844 -15.504 -7.738 -4.391 1.00 0.00 H new ATOM 0 HB THR A 844 -15.905 -5.354 -5.879 1.00 0.00 H new ATOM 0 HG1 THR A 844 -15.782 -6.888 -7.611 1.00 0.00 H new ATOM 0 HG21 THR A 844 -13.925 -5.382 -7.367 1.00 0.00 H new ATOM 0 HG22 THR A 844 -13.466 -4.965 -5.699 1.00 0.00 H new ATOM 0 HG23 THR A 844 -13.158 -6.603 -6.323 1.00 0.00 H new ATOM 131 N LYS A 845 -12.915 -5.682 -4.238 1.00 0.00 N ATOM 132 CA LYS A 845 -11.517 -5.603 -3.864 1.00 0.00 C ATOM 133 C LYS A 845 -11.146 -4.160 -3.551 1.00 0.00 C ATOM 134 O LYS A 845 -10.031 -3.884 -3.114 1.00 0.00 O ATOM 135 CB LYS A 845 -10.656 -6.149 -4.999 1.00 0.00 C ATOM 136 CG LYS A 845 -10.490 -7.656 -4.831 1.00 0.00 C ATOM 137 CD LYS A 845 -9.728 -7.945 -3.541 1.00 0.00 C ATOM 138 CE LYS A 845 -10.650 -8.654 -2.553 1.00 0.00 C ATOM 139 NZ LYS A 845 -10.824 -10.069 -2.916 1.00 0.00 N ATOM 0 H LYS A 845 -13.274 -4.848 -4.704 1.00 0.00 H new ATOM 0 HA LYS A 845 -11.341 -6.203 -2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 845 -11.120 -5.928 -5.960 1.00 0.00 H new ATOM 0 HB3 LYS A 845 -9.681 -5.662 -4.997 1.00 0.00 H new ATOM 0 HG2 LYS A 845 -11.467 -8.139 -4.805 1.00 0.00 H new ATOM 0 HG3 LYS A 845 -9.952 -8.070 -5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 845 -8.857 -8.566 -3.752 1.00 0.00 H new ATOM 0 HD3 LYS A 845 -9.359 -7.015 -3.108 1.00 0.00 H new ATOM 0 HE2 LYS A 845 -10.236 -8.581 -1.547 1.00 0.00 H new ATOM 0 HE3 LYS A 845 -11.620 -8.158 -2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 -11.455 -10.529 -2.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 -11.241 -10.135 -3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 -9.899 -10.545 -2.910 1.00 0.00 H new ATOM 153 N VAL A 846 -12.085 -3.239 -3.777 1.00 0.00 N ATOM 154 CA VAL A 846 -11.854 -1.832 -3.520 1.00 0.00 C ATOM 155 C VAL A 846 -10.510 -1.416 -4.101 1.00 0.00 C ATOM 156 O VAL A 846 -9.469 -1.916 -3.681 1.00 0.00 O ATOM 157 CB VAL A 846 -11.895 -1.577 -2.016 1.00 0.00 C ATOM 158 CG1 VAL A 846 -13.259 -1.011 -1.633 1.00 0.00 C ATOM 159 CG2 VAL A 846 -11.660 -2.888 -1.272 1.00 0.00 C ATOM 0 H VAL A 846 -13.014 -3.452 -4.139 1.00 0.00 H new ATOM 0 HA VAL A 846 -12.634 -1.238 -3.997 1.00 0.00 H new ATOM 0 HB VAL A 846 -11.117 -0.862 -1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -13.289 -0.829 -0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -13.427 -0.074 -2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -14.038 -1.725 -1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -11.689 -2.707 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -12.437 -3.603 -1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -10.685 -3.292 -1.546 1.00 0.00 H new ATOM 169 N LEU A 847 -10.535 -0.498 -5.070 1.00 0.00 N ATOM 170 CA LEU A 847 -9.321 -0.020 -5.703 1.00 0.00 C ATOM 171 C LEU A 847 -9.526 1.402 -6.205 1.00 0.00 C ATOM 172 O LEU A 847 -9.775 1.614 -7.390 1.00 0.00 O ATOM 173 CB LEU A 847 -8.948 -0.951 -6.853 1.00 0.00 C ATOM 174 CG LEU A 847 -9.162 -2.400 -6.425 1.00 0.00 C ATOM 175 CD1 LEU A 847 -8.135 -2.772 -5.359 1.00 0.00 C ATOM 176 CD2 LEU A 847 -10.568 -2.560 -5.855 1.00 0.00 C ATOM 0 H LEU A 847 -11.391 -0.074 -5.429 1.00 0.00 H new ATOM 0 HA LEU A 847 -8.507 -0.014 -4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 847 -9.556 -0.726 -7.729 1.00 0.00 H new ATOM 0 HB3 LEU A 847 -7.908 -0.795 -7.139 1.00 0.00 H new ATOM 0 HG LEU A 847 -9.044 -3.055 -7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 847 -8.287 -3.807 -5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 847 -7.130 -2.658 -5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 847 -8.253 -2.117 -4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 847 -10.721 -3.595 -5.549 1.00 0.00 H new ATOM 0 HD22 LEU A 847 -10.687 -1.905 -4.992 1.00 0.00 H new ATOM 0 HD23 LEU A 847 -11.302 -2.294 -6.616 1.00 0.00 H new ATOM 188 N LEU A 848 -9.420 2.377 -5.300 1.00 0.00 N ATOM 189 CA LEU A 848 -9.593 3.772 -5.654 1.00 0.00 C ATOM 190 C LEU A 848 -8.243 4.393 -5.980 1.00 0.00 C ATOM 191 O LEU A 848 -7.211 3.735 -5.869 1.00 0.00 O ATOM 192 CB LEU A 848 -10.263 4.510 -4.498 1.00 0.00 C ATOM 193 CG LEU A 848 -11.759 4.632 -4.772 1.00 0.00 C ATOM 194 CD1 LEU A 848 -12.518 4.659 -3.448 1.00 0.00 C ATOM 195 CD2 LEU A 848 -12.032 5.922 -5.541 1.00 0.00 C ATOM 0 H LEU A 848 -9.214 2.217 -4.314 1.00 0.00 H new ATOM 0 HA LEU A 848 -10.229 3.851 -6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 848 -10.096 3.973 -3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 848 -9.822 5.500 -4.380 1.00 0.00 H new ATOM 0 HG LEU A 848 -12.091 3.779 -5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 848 -13.587 4.746 -3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 848 -12.323 3.738 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 848 -12.187 5.512 -2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 848 -13.101 6.010 -5.737 1.00 0.00 H new ATOM 0 HD22 LEU A 848 -11.700 6.775 -4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 848 -11.490 5.904 -6.487 1.00 0.00 H new ATOM 207 N ASP A 849 -8.251 5.666 -6.384 1.00 0.00 N ATOM 208 CA ASP A 849 -7.030 6.368 -6.725 1.00 0.00 C ATOM 209 C ASP A 849 -6.302 6.781 -5.454 1.00 0.00 C ATOM 210 O ASP A 849 -5.788 7.893 -5.365 1.00 0.00 O ATOM 211 CB ASP A 849 -7.367 7.588 -7.576 1.00 0.00 C ATOM 212 CG ASP A 849 -8.179 8.600 -6.780 1.00 0.00 C ATOM 213 OD1 ASP A 849 -9.386 8.335 -6.589 1.00 0.00 O ATOM 214 OD2 ASP A 849 -7.578 9.619 -6.377 1.00 0.00 O ATOM 0 H ASP A 849 -9.098 6.226 -6.480 1.00 0.00 H new ATOM 0 HA ASP A 849 -6.375 5.712 -7.298 1.00 0.00 H new ATOM 0 HB2 ASP A 849 -6.448 8.053 -7.932 1.00 0.00 H new ATOM 0 HB3 ASP A 849 -7.929 7.278 -8.457 1.00 0.00 H new ATOM 219 N ILE A 850 -6.261 5.881 -4.468 1.00 0.00 N ATOM 220 CA ILE A 850 -5.597 6.154 -3.209 1.00 0.00 C ATOM 221 C ILE A 850 -4.100 6.311 -3.440 1.00 0.00 C ATOM 222 O ILE A 850 -3.619 7.419 -3.669 1.00 0.00 O ATOM 223 CB ILE A 850 -5.878 5.018 -2.230 1.00 0.00 C ATOM 224 CG1 ILE A 850 -6.994 4.135 -2.781 1.00 0.00 C ATOM 225 CG2 ILE A 850 -6.306 5.599 -0.886 1.00 0.00 C ATOM 226 CD1 ILE A 850 -8.346 4.760 -2.452 1.00 0.00 C ATOM 0 H ILE A 850 -6.685 4.955 -4.527 1.00 0.00 H new ATOM 0 HA ILE A 850 -5.978 7.083 -2.785 1.00 0.00 H new ATOM 0 HB ILE A 850 -4.975 4.422 -2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 850 -6.885 4.024 -3.860 1.00 0.00 H new ATOM 0 HG13 ILE A 850 -6.928 3.136 -2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 850 -6.507 4.788 -0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 850 -5.509 6.229 -0.492 1.00 0.00 H new ATOM 0 HG23 ILE A 850 -7.208 6.196 -1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 850 -9.144 4.130 -2.845 1.00 0.00 H new ATOM 0 HD12 ILE A 850 -8.453 4.848 -1.371 1.00 0.00 H new ATOM 0 HD13 ILE A 850 -8.409 5.750 -2.904 1.00 0.00 H new ATOM 238 N PHE A 851 -3.364 5.199 -3.379 1.00 0.00 N ATOM 239 CA PHE A 851 -1.930 5.222 -3.582 1.00 0.00 C ATOM 240 C PHE A 851 -1.614 5.711 -4.988 1.00 0.00 C ATOM 241 O PHE A 851 -0.633 5.282 -5.592 1.00 0.00 O ATOM 242 CB PHE A 851 -1.363 3.823 -3.355 1.00 0.00 C ATOM 243 CG PHE A 851 -1.991 3.101 -2.187 1.00 0.00 C ATOM 244 CD1 PHE A 851 -2.001 3.694 -0.919 1.00 0.00 C ATOM 245 CD2 PHE A 851 -2.566 1.838 -2.373 1.00 0.00 C ATOM 246 CE1 PHE A 851 -2.585 3.025 0.162 1.00 0.00 C ATOM 247 CE2 PHE A 851 -3.150 1.168 -1.291 1.00 0.00 C ATOM 248 CZ PHE A 851 -3.160 1.762 -0.024 1.00 0.00 C ATOM 0 H PHE A 851 -3.747 4.273 -3.190 1.00 0.00 H new ATOM 0 HA PHE A 851 -1.469 5.907 -2.870 1.00 0.00 H new ATOM 0 HB2 PHE A 851 -1.507 3.230 -4.258 1.00 0.00 H new ATOM 0 HB3 PHE A 851 -0.288 3.897 -3.191 1.00 0.00 H new ATOM 0 HD1 PHE A 851 -1.558 4.668 -0.775 1.00 0.00 H new ATOM 0 HD2 PHE A 851 -2.559 1.380 -3.351 1.00 0.00 H new ATOM 0 HE1 PHE A 851 -2.592 3.483 1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 851 -3.592 0.193 -1.434 1.00 0.00 H new ATOM 0 HZ PHE A 851 -3.611 1.246 0.811 1.00 0.00 H new ATOM 258 N THR A 852 -2.449 6.612 -5.511 1.00 0.00 N ATOM 259 CA THR A 852 -2.252 7.151 -6.841 1.00 0.00 C ATOM 260 C THR A 852 -0.771 7.407 -7.083 1.00 0.00 C ATOM 261 O THR A 852 -0.220 8.389 -6.590 1.00 0.00 O ATOM 262 CB THR A 852 -3.055 8.440 -6.991 1.00 0.00 C ATOM 263 OG1 THR A 852 -3.596 8.508 -8.291 1.00 0.00 O ATOM 264 CG2 THR A 852 -2.140 9.639 -6.757 1.00 0.00 C ATOM 0 H THR A 852 -3.267 6.979 -5.025 1.00 0.00 H new ATOM 0 HA THR A 852 -2.601 6.432 -7.583 1.00 0.00 H new ATOM 0 HB THR A 852 -3.864 8.452 -6.260 1.00 0.00 H new ATOM 0 HG1 THR A 852 -4.113 9.335 -8.387 1.00 0.00 H new ATOM 0 HG21 THR A 852 -2.713 10.560 -6.864 1.00 0.00 H new ATOM 0 HG22 THR A 852 -1.721 9.587 -5.752 1.00 0.00 H new ATOM 0 HG23 THR A 852 -1.331 9.628 -7.488 1.00 0.00 H new ATOM 272 N GLY A 853 -0.126 6.520 -7.844 1.00 0.00 N ATOM 273 CA GLY A 853 1.285 6.658 -8.144 1.00 0.00 C ATOM 274 C GLY A 853 2.118 6.374 -6.902 1.00 0.00 C ATOM 275 O GLY A 853 3.344 6.451 -6.943 1.00 0.00 O ATOM 0 H GLY A 853 -0.567 5.700 -8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 853 1.563 5.970 -8.942 1.00 0.00 H new ATOM 0 HA3 GLY A 853 1.490 7.666 -8.506 1.00 0.00 H new ATOM 279 N VAL A 854 1.448 6.044 -5.796 1.00 0.00 N ATOM 280 CA VAL A 854 2.127 5.751 -4.549 1.00 0.00 C ATOM 281 C VAL A 854 2.807 4.392 -4.641 1.00 0.00 C ATOM 282 O VAL A 854 2.138 3.361 -4.663 1.00 0.00 O ATOM 283 CB VAL A 854 1.119 5.775 -3.404 1.00 0.00 C ATOM 284 CG1 VAL A 854 1.600 4.858 -2.283 1.00 0.00 C ATOM 285 CG2 VAL A 854 0.987 7.200 -2.874 1.00 0.00 C ATOM 0 H VAL A 854 0.432 5.975 -5.747 1.00 0.00 H new ATOM 0 HA VAL A 854 2.890 6.506 -4.359 1.00 0.00 H new ATOM 0 HB VAL A 854 0.150 5.430 -3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 854 0.880 4.875 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 854 1.696 3.840 -2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 854 2.569 5.203 -1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 854 0.267 7.219 -2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 854 1.956 7.545 -2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 854 0.644 7.856 -3.674 1.00 0.00 H new ATOM 295 N ARG A 855 4.141 4.393 -4.693 1.00 0.00 N ATOM 296 CA ARG A 855 4.903 3.163 -4.783 1.00 0.00 C ATOM 297 C ARG A 855 5.561 2.866 -3.443 1.00 0.00 C ATOM 298 O ARG A 855 6.596 3.443 -3.116 1.00 0.00 O ATOM 299 CB ARG A 855 5.952 3.296 -5.882 1.00 0.00 C ATOM 300 CG ARG A 855 7.196 3.977 -5.319 1.00 0.00 C ATOM 301 CD ARG A 855 8.087 4.442 -6.468 1.00 0.00 C ATOM 302 NE ARG A 855 8.581 5.799 -6.235 1.00 0.00 N ATOM 303 CZ ARG A 855 8.869 6.648 -7.230 1.00 0.00 C ATOM 304 NH1 ARG A 855 8.706 6.266 -8.505 1.00 0.00 N ATOM 305 NH2 ARG A 855 9.320 7.879 -6.952 1.00 0.00 N ATOM 0 H ARG A 855 4.710 5.239 -4.674 1.00 0.00 H new ATOM 0 HA ARG A 855 4.239 2.335 -5.031 1.00 0.00 H new ATOM 0 HB2 ARG A 855 6.209 2.312 -6.275 1.00 0.00 H new ATOM 0 HB3 ARG A 855 5.552 3.876 -6.713 1.00 0.00 H new ATOM 0 HG2 ARG A 855 6.909 4.827 -4.700 1.00 0.00 H new ATOM 0 HG3 ARG A 855 7.743 3.286 -4.678 1.00 0.00 H new ATOM 0 HD2 ARG A 855 8.929 3.759 -6.579 1.00 0.00 H new ATOM 0 HD3 ARG A 855 7.527 4.411 -7.402 1.00 0.00 H new ATOM 0 HE ARG A 855 8.712 6.112 -5.273 1.00 0.00 H new ATOM 0 HH11 ARG A 855 8.363 5.329 -8.717 1.00 0.00 H new ATOM 0 HH12 ARG A 855 8.925 6.912 -9.263 1.00 0.00 H new ATOM 0 HH21 ARG A 855 9.444 8.170 -5.982 1.00 0.00 H new ATOM 0 HH22 ARG A 855 9.539 8.525 -7.710 1.00 0.00 H new ATOM 319 N LEU A 856 4.958 1.962 -2.667 1.00 0.00 N ATOM 320 CA LEU A 856 5.487 1.594 -1.369 1.00 0.00 C ATOM 321 C LEU A 856 5.793 0.103 -1.341 1.00 0.00 C ATOM 322 O LEU A 856 5.077 -0.692 -1.946 1.00 0.00 O ATOM 323 CB LEU A 856 4.476 1.959 -0.286 1.00 0.00 C ATOM 324 CG LEU A 856 3.475 0.819 -0.120 1.00 0.00 C ATOM 325 CD1 LEU A 856 4.223 -0.508 -0.034 1.00 0.00 C ATOM 326 CD2 LEU A 856 2.668 1.032 1.158 1.00 0.00 C ATOM 0 H LEU A 856 4.100 1.474 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 856 6.412 2.138 -1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 856 4.989 2.147 0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 856 3.955 2.878 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 856 2.801 0.801 -0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 856 3.508 -1.322 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 856 4.799 -0.661 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 856 4.898 -0.491 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 856 1.953 0.218 1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 856 3.342 1.051 2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 856 2.132 1.979 1.096 1.00 0.00 H new ATOM 338 N TYR A 857 6.860 -0.276 -0.634 1.00 0.00 N ATOM 339 CA TYR A 857 7.254 -1.667 -0.533 1.00 0.00 C ATOM 340 C TYR A 857 6.329 -2.396 0.430 1.00 0.00 C ATOM 341 O TYR A 857 6.421 -2.212 1.642 1.00 0.00 O ATOM 342 CB TYR A 857 8.703 -1.751 -0.061 1.00 0.00 C ATOM 343 CG TYR A 857 8.959 -2.891 0.896 1.00 0.00 C ATOM 344 CD1 TYR A 857 8.898 -4.213 0.442 1.00 0.00 C ATOM 345 CD2 TYR A 857 9.259 -2.624 2.238 1.00 0.00 C ATOM 346 CE1 TYR A 857 9.137 -5.270 1.329 1.00 0.00 C ATOM 347 CE2 TYR A 857 9.497 -3.681 3.125 1.00 0.00 C ATOM 348 CZ TYR A 857 9.436 -5.004 2.670 1.00 0.00 C ATOM 349 OH TYR A 857 9.669 -6.033 3.534 1.00 0.00 O ATOM 0 H TYR A 857 7.463 0.370 -0.124 1.00 0.00 H new ATOM 0 HA TYR A 857 7.176 -2.144 -1.510 1.00 0.00 H new ATOM 0 HB2 TYR A 857 9.354 -1.862 -0.928 1.00 0.00 H new ATOM 0 HB3 TYR A 857 8.974 -0.813 0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 857 8.667 -4.418 -0.593 1.00 0.00 H new ATOM 0 HD2 TYR A 857 9.307 -1.604 2.588 1.00 0.00 H new ATOM 0 HE1 TYR A 857 9.091 -6.290 0.978 1.00 0.00 H new ATOM 0 HE2 TYR A 857 9.728 -3.476 4.160 1.00 0.00 H new ATOM 0 HH TYR A 857 9.863 -5.674 4.425 1.00 0.00 H new ATOM 359 N LEU A 858 5.435 -3.228 -0.111 1.00 0.00 N ATOM 360 CA LEU A 858 4.500 -3.980 0.701 1.00 0.00 C ATOM 361 C LEU A 858 5.142 -5.283 1.156 1.00 0.00 C ATOM 362 O LEU A 858 5.398 -6.168 0.343 1.00 0.00 O ATOM 363 CB LEU A 858 3.234 -4.254 -0.105 1.00 0.00 C ATOM 364 CG LEU A 858 2.196 -4.923 0.791 1.00 0.00 C ATOM 365 CD1 LEU A 858 2.539 -4.658 2.254 1.00 0.00 C ATOM 366 CD2 LEU A 858 0.814 -4.355 0.480 1.00 0.00 C ATOM 0 H LEU A 858 5.346 -3.392 -1.114 1.00 0.00 H new ATOM 0 HA LEU A 858 4.234 -3.401 1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 858 2.837 -3.322 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 858 3.463 -4.896 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 858 2.196 -5.998 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 858 1.797 -5.136 2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 858 3.526 -5.065 2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 858 2.539 -3.584 2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 858 0.072 -4.833 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 858 0.813 -3.280 0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 858 0.569 -4.546 -0.565 1.00 0.00 H new ATOM 378 N PRO A 859 5.402 -5.398 2.460 1.00 0.00 N ATOM 379 CA PRO A 859 6.006 -6.562 3.072 1.00 0.00 C ATOM 380 C PRO A 859 5.001 -7.704 3.099 1.00 0.00 C ATOM 381 O PRO A 859 3.807 -7.479 3.280 1.00 0.00 O ATOM 382 CB PRO A 859 6.368 -6.117 4.487 1.00 0.00 C ATOM 383 CG PRO A 859 5.303 -5.065 4.793 1.00 0.00 C ATOM 384 CD PRO A 859 5.114 -4.377 3.443 1.00 0.00 C ATOM 0 HA PRO A 859 6.881 -6.921 2.529 1.00 0.00 H new ATOM 0 HB2 PRO A 859 6.332 -6.946 5.194 1.00 0.00 H new ATOM 0 HB3 PRO A 859 7.374 -5.700 4.535 1.00 0.00 H new ATOM 0 HG2 PRO A 859 4.378 -5.517 5.150 1.00 0.00 H new ATOM 0 HG3 PRO A 859 5.633 -4.366 5.561 1.00 0.00 H new ATOM 0 HD2 PRO A 859 4.098 -3.997 3.332 1.00 0.00 H new ATOM 0 HD3 PRO A 859 5.786 -3.525 3.336 1.00 0.00 H new ATOM 392 N PRO A 860 5.488 -8.934 2.917 1.00 0.00 N ATOM 393 CA PRO A 860 4.684 -10.137 2.911 1.00 0.00 C ATOM 394 C PRO A 860 4.226 -10.452 4.328 1.00 0.00 C ATOM 395 O PRO A 860 3.241 -11.161 4.521 1.00 0.00 O ATOM 396 CB PRO A 860 5.613 -11.227 2.382 1.00 0.00 C ATOM 397 CG PRO A 860 6.990 -10.752 2.845 1.00 0.00 C ATOM 398 CD PRO A 860 6.887 -9.235 2.702 1.00 0.00 C ATOM 0 HA PRO A 860 3.787 -10.044 2.299 1.00 0.00 H new ATOM 0 HB2 PRO A 860 5.364 -12.205 2.792 1.00 0.00 H new ATOM 0 HB3 PRO A 860 5.559 -11.313 1.297 1.00 0.00 H new ATOM 0 HG2 PRO A 860 7.196 -11.049 3.873 1.00 0.00 H new ATOM 0 HG3 PRO A 860 7.789 -11.164 2.228 1.00 0.00 H new ATOM 0 HD2 PRO A 860 7.517 -8.726 3.431 1.00 0.00 H new ATOM 0 HD3 PRO A 860 7.214 -8.908 1.715 1.00 0.00 H new ATOM 406 N SER A 861 4.945 -9.923 5.321 1.00 0.00 N ATOM 407 CA SER A 861 4.609 -10.150 6.712 1.00 0.00 C ATOM 408 C SER A 861 3.446 -9.255 7.116 1.00 0.00 C ATOM 409 O SER A 861 2.814 -9.481 8.145 1.00 0.00 O ATOM 410 CB SER A 861 5.832 -9.874 7.582 1.00 0.00 C ATOM 411 OG SER A 861 6.235 -11.066 8.217 1.00 0.00 O ATOM 0 H SER A 861 5.765 -9.334 5.178 1.00 0.00 H new ATOM 0 HA SER A 861 4.307 -11.188 6.852 1.00 0.00 H new ATOM 0 HB2 SER A 861 6.645 -9.482 6.971 1.00 0.00 H new ATOM 0 HB3 SER A 861 5.598 -9.114 8.327 1.00 0.00 H new ATOM 0 HG SER A 861 7.021 -10.890 8.775 1.00 0.00 H new ATOM 417 N THR A 862 3.164 -8.236 6.301 1.00 0.00 N ATOM 418 CA THR A 862 2.079 -7.317 6.579 1.00 0.00 C ATOM 419 C THR A 862 0.748 -8.054 6.527 1.00 0.00 C ATOM 420 O THR A 862 0.557 -8.938 5.695 1.00 0.00 O ATOM 421 CB THR A 862 2.106 -6.177 5.565 1.00 0.00 C ATOM 422 OG1 THR A 862 2.186 -4.945 6.244 1.00 0.00 O ATOM 423 CG2 THR A 862 0.831 -6.213 4.725 1.00 0.00 C ATOM 0 H THR A 862 3.678 -8.034 5.444 1.00 0.00 H new ATOM 0 HA THR A 862 2.200 -6.900 7.579 1.00 0.00 H new ATOM 0 HB THR A 862 2.974 -6.290 4.915 1.00 0.00 H new ATOM 0 HG1 THR A 862 1.356 -4.442 6.108 1.00 0.00 H new ATOM 0 HG21 THR A 862 0.850 -5.399 4.000 1.00 0.00 H new ATOM 0 HG22 THR A 862 0.769 -7.166 4.199 1.00 0.00 H new ATOM 0 HG23 THR A 862 -0.036 -6.100 5.375 1.00 0.00 H new ATOM 431 N PRO A 863 -0.174 -7.686 7.419 1.00 0.00 N ATOM 432 CA PRO A 863 -1.494 -8.272 7.517 1.00 0.00 C ATOM 433 C PRO A 863 -2.345 -7.812 6.343 1.00 0.00 C ATOM 434 O PRO A 863 -2.333 -6.636 5.988 1.00 0.00 O ATOM 435 CB PRO A 863 -2.056 -7.751 8.838 1.00 0.00 C ATOM 436 CG PRO A 863 -1.375 -6.391 8.983 1.00 0.00 C ATOM 437 CD PRO A 863 0.017 -6.650 8.411 1.00 0.00 C ATOM 0 HA PRO A 863 -1.478 -9.362 7.490 1.00 0.00 H new ATOM 0 HB2 PRO A 863 -3.142 -7.658 8.807 1.00 0.00 H new ATOM 0 HB3 PRO A 863 -1.816 -8.414 9.669 1.00 0.00 H new ATOM 0 HG2 PRO A 863 -1.902 -5.613 8.430 1.00 0.00 H new ATOM 0 HG3 PRO A 863 -1.332 -6.069 10.023 1.00 0.00 H new ATOM 0 HD2 PRO A 863 0.435 -5.748 7.964 1.00 0.00 H new ATOM 0 HD3 PRO A 863 0.710 -6.971 9.189 1.00 0.00 H new ATOM 445 N ASP A 864 -3.085 -8.744 5.738 1.00 0.00 N ATOM 446 CA ASP A 864 -3.935 -8.431 4.607 1.00 0.00 C ATOM 447 C ASP A 864 -3.087 -8.282 3.352 1.00 0.00 C ATOM 448 O ASP A 864 -3.582 -7.844 2.316 1.00 0.00 O ATOM 449 CB ASP A 864 -4.708 -7.147 4.894 1.00 0.00 C ATOM 450 CG ASP A 864 -6.198 -7.343 4.649 1.00 0.00 C ATOM 451 OD1 ASP A 864 -6.535 -7.801 3.536 1.00 0.00 O ATOM 452 OD2 ASP A 864 -6.971 -7.031 5.580 1.00 0.00 O ATOM 0 H ASP A 864 -3.106 -9.724 6.021 1.00 0.00 H new ATOM 0 HA ASP A 864 -4.648 -9.240 4.446 1.00 0.00 H new ATOM 0 HB2 ASP A 864 -4.542 -6.841 5.927 1.00 0.00 H new ATOM 0 HB3 ASP A 864 -4.334 -6.343 4.260 1.00 0.00 H new ATOM 457 N PHE A 865 -1.807 -8.648 3.447 1.00 0.00 N ATOM 458 CA PHE A 865 -0.901 -8.552 2.320 1.00 0.00 C ATOM 459 C PHE A 865 -1.575 -9.097 1.068 1.00 0.00 C ATOM 460 O PHE A 865 -1.505 -8.482 0.006 1.00 0.00 O ATOM 461 CB PHE A 865 0.376 -9.328 2.628 1.00 0.00 C ATOM 462 CG PHE A 865 1.479 -9.098 1.622 1.00 0.00 C ATOM 463 CD1 PHE A 865 2.095 -7.844 1.532 1.00 0.00 C ATOM 464 CD2 PHE A 865 1.887 -10.141 0.781 1.00 0.00 C ATOM 465 CE1 PHE A 865 3.118 -7.632 0.601 1.00 0.00 C ATOM 466 CE2 PHE A 865 2.911 -9.929 -0.150 1.00 0.00 C ATOM 467 CZ PHE A 865 3.526 -8.675 -0.240 1.00 0.00 C ATOM 0 H PHE A 865 -1.382 -9.014 4.299 1.00 0.00 H new ATOM 0 HA PHE A 865 -0.643 -7.508 2.144 1.00 0.00 H new ATOM 0 HB2 PHE A 865 0.734 -9.045 3.618 1.00 0.00 H new ATOM 0 HB3 PHE A 865 0.145 -10.393 2.665 1.00 0.00 H new ATOM 0 HD1 PHE A 865 1.781 -7.040 2.181 1.00 0.00 H new ATOM 0 HD2 PHE A 865 1.412 -11.108 0.851 1.00 0.00 H new ATOM 0 HE1 PHE A 865 3.593 -6.664 0.531 1.00 0.00 H new ATOM 0 HE2 PHE A 865 3.226 -10.733 -0.799 1.00 0.00 H new ATOM 0 HZ PHE A 865 4.316 -8.512 -0.958 1.00 0.00 H new ATOM 477 N SER A 866 -2.229 -10.253 1.195 1.00 0.00 N ATOM 478 CA SER A 866 -2.911 -10.872 0.076 1.00 0.00 C ATOM 479 C SER A 866 -3.301 -9.810 -0.942 1.00 0.00 C ATOM 480 O SER A 866 -2.574 -9.574 -1.905 1.00 0.00 O ATOM 481 CB SER A 866 -4.145 -11.614 0.582 1.00 0.00 C ATOM 482 OG SER A 866 -3.795 -12.943 0.901 1.00 0.00 O ATOM 0 H SER A 866 -2.296 -10.775 2.069 1.00 0.00 H new ATOM 0 HA SER A 866 -2.247 -11.586 -0.410 1.00 0.00 H new ATOM 0 HB2 SER A 866 -4.550 -11.112 1.461 1.00 0.00 H new ATOM 0 HB3 SER A 866 -4.926 -11.605 -0.178 1.00 0.00 H new ATOM 0 HG SER A 866 -4.586 -13.420 1.228 1.00 0.00 H new ATOM 488 N ARG A 867 -4.451 -9.167 -0.727 1.00 0.00 N ATOM 489 CA ARG A 867 -4.931 -8.136 -1.624 1.00 0.00 C ATOM 490 C ARG A 867 -4.004 -6.930 -1.566 1.00 0.00 C ATOM 491 O ARG A 867 -3.726 -6.308 -2.589 1.00 0.00 O ATOM 492 CB ARG A 867 -6.353 -7.744 -1.234 1.00 0.00 C ATOM 493 CG ARG A 867 -7.192 -9.004 -1.040 1.00 0.00 C ATOM 494 CD ARG A 867 -7.951 -8.911 0.281 1.00 0.00 C ATOM 495 NE ARG A 867 -9.151 -9.749 0.257 1.00 0.00 N ATOM 496 CZ ARG A 867 -9.117 -11.070 0.478 1.00 0.00 C ATOM 497 NH1 ARG A 867 -7.951 -11.678 0.735 1.00 0.00 N ATOM 498 NH2 ARG A 867 -10.251 -11.785 0.442 1.00 0.00 N ATOM 0 H ARG A 867 -5.064 -9.350 0.068 1.00 0.00 H new ATOM 0 HA ARG A 867 -4.940 -8.514 -2.646 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -6.341 -7.157 -0.316 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -6.794 -7.116 -2.008 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -7.893 -9.118 -1.867 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -6.550 -9.885 -1.042 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -7.302 -9.222 1.100 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -8.230 -7.875 0.472 1.00 0.00 H new ATOM 0 HE ARG A 867 -10.051 -9.309 0.064 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -7.088 -11.135 0.763 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -7.926 -12.684 0.903 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -11.139 -11.323 0.246 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -10.225 -12.791 0.610 1.00 0.00 H new ATOM 512 N LEU A 868 -3.525 -6.600 -0.364 1.00 0.00 N ATOM 513 CA LEU A 868 -2.634 -5.473 -0.178 1.00 0.00 C ATOM 514 C LEU A 868 -1.759 -5.298 -1.411 1.00 0.00 C ATOM 515 O LEU A 868 -1.715 -4.217 -1.995 1.00 0.00 O ATOM 516 CB LEU A 868 -1.777 -5.702 1.064 1.00 0.00 C ATOM 517 CG LEU A 868 -2.414 -4.996 2.258 1.00 0.00 C ATOM 518 CD1 LEU A 868 -1.380 -4.844 3.370 1.00 0.00 C ATOM 519 CD2 LEU A 868 -2.908 -3.617 1.829 1.00 0.00 C ATOM 0 H LEU A 868 -3.746 -7.106 0.494 1.00 0.00 H new ATOM 0 HA LEU A 868 -3.218 -4.563 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 868 -1.686 -6.770 1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 868 -0.769 -5.322 0.899 1.00 0.00 H new ATOM 0 HG LEU A 868 -3.255 -5.585 2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 868 -1.834 -4.340 4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 868 -1.028 -5.829 3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 868 -0.538 -4.254 3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 868 -3.363 -3.112 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 868 -2.067 -3.027 1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 868 -3.647 -3.726 1.035 1.00 0.00 H new ATOM 531 N ARG A 869 -1.061 -6.365 -1.806 1.00 0.00 N ATOM 532 CA ARG A 869 -0.192 -6.325 -2.965 1.00 0.00 C ATOM 533 C ARG A 869 -0.988 -5.904 -4.192 1.00 0.00 C ATOM 534 O ARG A 869 -1.036 -4.723 -4.528 1.00 0.00 O ATOM 535 CB ARG A 869 0.439 -7.698 -3.174 1.00 0.00 C ATOM 536 CG ARG A 869 1.574 -7.587 -4.188 1.00 0.00 C ATOM 537 CD ARG A 869 2.914 -7.639 -3.459 1.00 0.00 C ATOM 538 NE ARG A 869 3.285 -9.017 -3.138 1.00 0.00 N ATOM 539 CZ ARG A 869 3.996 -9.790 -3.969 1.00 0.00 C ATOM 540 NH1 ARG A 869 4.399 -9.308 -5.153 1.00 0.00 N ATOM 541 NH2 ARG A 869 4.303 -11.046 -3.618 1.00 0.00 N ATOM 0 H ARG A 869 -1.087 -7.268 -1.332 1.00 0.00 H new ATOM 0 HA ARG A 869 0.602 -5.596 -2.804 1.00 0.00 H new ATOM 0 HB2 ARG A 869 0.819 -8.083 -2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 869 -0.311 -8.405 -3.528 1.00 0.00 H new ATOM 0 HG2 ARG A 869 1.510 -8.399 -4.912 1.00 0.00 H new ATOM 0 HG3 ARG A 869 1.487 -6.655 -4.746 1.00 0.00 H new ATOM 0 HD2 ARG A 869 3.687 -7.186 -4.080 1.00 0.00 H new ATOM 0 HD3 ARG A 869 2.856 -7.052 -2.543 1.00 0.00 H new ATOM 0 HE ARG A 869 2.989 -9.406 -2.243 1.00 0.00 H new ATOM 0 HH11 ARG A 869 4.164 -8.352 -5.421 1.00 0.00 H new ATOM 0 HH12 ARG A 869 4.941 -9.897 -5.786 1.00 0.00 H new ATOM 0 HH21 ARG A 869 3.995 -11.414 -2.718 1.00 0.00 H new ATOM 0 HH22 ARG A 869 4.844 -11.635 -4.251 1.00 0.00 H new ATOM 555 N ARG A 870 -1.613 -6.875 -4.861 1.00 0.00 N ATOM 556 CA ARG A 870 -2.402 -6.602 -6.046 1.00 0.00 C ATOM 557 C ARG A 870 -3.209 -5.328 -5.845 1.00 0.00 C ATOM 558 O ARG A 870 -3.149 -4.417 -6.668 1.00 0.00 O ATOM 559 CB ARG A 870 -3.323 -7.787 -6.326 1.00 0.00 C ATOM 560 CG ARG A 870 -3.159 -8.224 -7.779 1.00 0.00 C ATOM 561 CD ARG A 870 -1.767 -8.815 -7.979 1.00 0.00 C ATOM 562 NE ARG A 870 -1.771 -10.260 -7.747 1.00 0.00 N ATOM 563 CZ ARG A 870 -0.655 -10.958 -7.495 1.00 0.00 C ATOM 564 NH1 ARG A 870 0.530 -10.333 -7.447 1.00 0.00 N ATOM 565 NH2 ARG A 870 -0.723 -12.281 -7.292 1.00 0.00 N ATOM 0 H ARG A 870 -1.583 -7.859 -4.594 1.00 0.00 H new ATOM 0 HA ARG A 870 -1.743 -6.460 -6.903 1.00 0.00 H new ATOM 0 HB2 ARG A 870 -3.084 -8.614 -5.657 1.00 0.00 H new ATOM 0 HB3 ARG A 870 -4.359 -7.510 -6.133 1.00 0.00 H new ATOM 0 HG2 ARG A 870 -3.919 -8.962 -8.036 1.00 0.00 H new ATOM 0 HG3 ARG A 870 -3.303 -7.373 -8.444 1.00 0.00 H new ATOM 0 HD2 ARG A 870 -1.422 -8.607 -8.992 1.00 0.00 H new ATOM 0 HD3 ARG A 870 -1.064 -8.336 -7.298 1.00 0.00 H new ATOM 0 HE ARG A 870 -2.661 -10.757 -7.778 1.00 0.00 H new ATOM 0 HH11 ARG A 870 0.582 -9.326 -7.602 1.00 0.00 H new ATOM 0 HH12 ARG A 870 1.379 -10.864 -7.255 1.00 0.00 H new ATOM 0 HH21 ARG A 870 -1.624 -12.757 -7.329 1.00 0.00 H new ATOM 0 HH22 ARG A 870 0.127 -12.812 -7.100 1.00 0.00 H new ATOM 579 N TYR A 871 -3.967 -5.265 -4.748 1.00 0.00 N ATOM 580 CA TYR A 871 -4.781 -4.104 -4.448 1.00 0.00 C ATOM 581 C TYR A 871 -3.986 -2.833 -4.713 1.00 0.00 C ATOM 582 O TYR A 871 -4.384 -2.009 -5.534 1.00 0.00 O ATOM 583 CB TYR A 871 -5.234 -4.164 -2.992 1.00 0.00 C ATOM 584 CG TYR A 871 -6.319 -3.169 -2.657 1.00 0.00 C ATOM 585 CD1 TYR A 871 -7.450 -3.065 -3.475 1.00 0.00 C ATOM 586 CD2 TYR A 871 -6.194 -2.351 -1.528 1.00 0.00 C ATOM 587 CE1 TYR A 871 -8.457 -2.142 -3.164 1.00 0.00 C ATOM 588 CE2 TYR A 871 -7.200 -1.429 -1.217 1.00 0.00 C ATOM 589 CZ TYR A 871 -8.332 -1.324 -2.035 1.00 0.00 C ATOM 590 OH TYR A 871 -9.312 -0.426 -1.732 1.00 0.00 O ATOM 0 H TYR A 871 -4.028 -6.012 -4.056 1.00 0.00 H new ATOM 0 HA TYR A 871 -5.662 -4.098 -5.090 1.00 0.00 H new ATOM 0 HB2 TYR A 871 -5.594 -5.169 -2.773 1.00 0.00 H new ATOM 0 HB3 TYR A 871 -4.375 -3.985 -2.345 1.00 0.00 H new ATOM 0 HD1 TYR A 871 -7.546 -3.696 -4.346 1.00 0.00 H new ATOM 0 HD2 TYR A 871 -5.321 -2.431 -0.897 1.00 0.00 H new ATOM 0 HE1 TYR A 871 -9.330 -2.062 -3.795 1.00 0.00 H new ATOM 0 HE2 TYR A 871 -7.103 -0.798 -0.346 1.00 0.00 H new ATOM 0 HH TYR A 871 -9.016 0.476 -1.977 1.00 0.00 H new ATOM 600 N PHE A 872 -2.858 -2.676 -4.016 1.00 0.00 N ATOM 601 CA PHE A 872 -2.016 -1.508 -4.181 1.00 0.00 C ATOM 602 C PHE A 872 -1.707 -1.299 -5.657 1.00 0.00 C ATOM 603 O PHE A 872 -2.474 -0.655 -6.369 1.00 0.00 O ATOM 604 CB PHE A 872 -0.731 -1.692 -3.379 1.00 0.00 C ATOM 605 CG PHE A 872 0.014 -0.402 -3.130 1.00 0.00 C ATOM 606 CD1 PHE A 872 0.531 0.327 -4.207 1.00 0.00 C ATOM 607 CD2 PHE A 872 0.184 0.066 -1.821 1.00 0.00 C ATOM 608 CE1 PHE A 872 1.220 1.524 -3.976 1.00 0.00 C ATOM 609 CE2 PHE A 872 0.873 1.263 -1.590 1.00 0.00 C ATOM 610 CZ PHE A 872 1.391 1.992 -2.667 1.00 0.00 C ATOM 0 H PHE A 872 -2.513 -3.350 -3.332 1.00 0.00 H new ATOM 0 HA PHE A 872 -2.536 -0.624 -3.811 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -0.973 -2.153 -2.421 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -0.077 -2.384 -3.910 1.00 0.00 H new ATOM 0 HD1 PHE A 872 0.399 -0.034 -5.216 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -0.216 -0.496 -0.990 1.00 0.00 H new ATOM 0 HE1 PHE A 872 1.619 2.086 -4.807 1.00 0.00 H new ATOM 0 HE2 PHE A 872 1.005 1.624 -0.581 1.00 0.00 H new ATOM 0 HZ PHE A 872 1.922 2.915 -2.489 1.00 0.00 H new ATOM 620 N VAL A 873 -0.578 -1.846 -6.115 1.00 0.00 N ATOM 621 CA VAL A 873 -0.173 -1.718 -7.500 1.00 0.00 C ATOM 622 C VAL A 873 -1.405 -1.643 -8.392 1.00 0.00 C ATOM 623 O VAL A 873 -1.397 -0.951 -9.408 1.00 0.00 O ATOM 624 CB VAL A 873 0.702 -2.906 -7.886 1.00 0.00 C ATOM 625 CG1 VAL A 873 0.535 -4.018 -6.854 1.00 0.00 C ATOM 626 CG2 VAL A 873 0.284 -3.421 -9.260 1.00 0.00 C ATOM 0 H VAL A 873 0.068 -2.383 -5.537 1.00 0.00 H new ATOM 0 HA VAL A 873 0.403 -0.802 -7.631 1.00 0.00 H new ATOM 0 HB VAL A 873 1.746 -2.593 -7.917 1.00 0.00 H new ATOM 0 HG11 VAL A 873 1.160 -4.867 -7.130 1.00 0.00 H new ATOM 0 HG12 VAL A 873 0.834 -3.651 -5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 873 -0.509 -4.331 -6.822 1.00 0.00 H new ATOM 0 HG21 VAL A 873 0.909 -4.270 -9.536 1.00 0.00 H new ATOM 0 HG22 VAL A 873 -0.760 -3.734 -9.229 1.00 0.00 H new ATOM 0 HG23 VAL A 873 0.403 -2.628 -9.998 1.00 0.00 H new ATOM 636 N ALA A 874 -2.465 -2.357 -8.008 1.00 0.00 N ATOM 637 CA ALA A 874 -3.696 -2.369 -8.773 1.00 0.00 C ATOM 638 C ALA A 874 -4.227 -0.950 -8.917 1.00 0.00 C ATOM 639 O ALA A 874 -4.429 -0.471 -10.031 1.00 0.00 O ATOM 640 CB ALA A 874 -4.719 -3.260 -8.075 1.00 0.00 C ATOM 0 H ALA A 874 -2.487 -2.934 -7.167 1.00 0.00 H new ATOM 0 HA ALA A 874 -3.506 -2.768 -9.769 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -5.645 -3.270 -8.650 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -4.327 -4.275 -8.001 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -4.916 -2.873 -7.075 1.00 0.00 H new ATOM 646 N PHE A 875 -4.452 -0.276 -7.787 1.00 0.00 N ATOM 647 CA PHE A 875 -4.957 1.082 -7.796 1.00 0.00 C ATOM 648 C PHE A 875 -4.319 1.863 -8.936 1.00 0.00 C ATOM 649 O PHE A 875 -5.001 2.599 -9.645 1.00 0.00 O ATOM 650 CB PHE A 875 -4.659 1.743 -6.453 1.00 0.00 C ATOM 651 CG PHE A 875 -5.191 0.971 -5.270 1.00 0.00 C ATOM 652 CD1 PHE A 875 -5.862 -0.242 -5.469 1.00 0.00 C ATOM 653 CD2 PHE A 875 -5.012 1.466 -3.973 1.00 0.00 C ATOM 654 CE1 PHE A 875 -6.354 -0.959 -4.372 1.00 0.00 C ATOM 655 CE2 PHE A 875 -5.504 0.749 -2.875 1.00 0.00 C ATOM 656 CZ PHE A 875 -6.175 -0.463 -3.075 1.00 0.00 C ATOM 0 H PHE A 875 -4.289 -0.658 -6.855 1.00 0.00 H new ATOM 0 HA PHE A 875 -6.036 1.072 -7.950 1.00 0.00 H new ATOM 0 HB2 PHE A 875 -3.581 1.859 -6.346 1.00 0.00 H new ATOM 0 HB3 PHE A 875 -5.090 2.744 -6.447 1.00 0.00 H new ATOM 0 HD1 PHE A 875 -6.000 -0.625 -6.470 1.00 0.00 H new ATOM 0 HD2 PHE A 875 -4.494 2.401 -3.819 1.00 0.00 H new ATOM 0 HE1 PHE A 875 -6.871 -1.894 -4.526 1.00 0.00 H new ATOM 0 HE2 PHE A 875 -5.366 1.131 -1.874 1.00 0.00 H new ATOM 0 HZ PHE A 875 -6.555 -1.016 -2.228 1.00 0.00 H new ATOM 666 N ASP A 876 -3.005 1.701 -9.111 1.00 0.00 N ATOM 667 CA ASP A 876 -2.283 2.390 -10.161 1.00 0.00 C ATOM 668 C ASP A 876 -0.886 2.749 -9.675 1.00 0.00 C ATOM 669 O ASP A 876 -0.170 3.498 -10.336 1.00 0.00 O ATOM 670 CB ASP A 876 -3.053 3.643 -10.568 1.00 0.00 C ATOM 671 CG ASP A 876 -3.963 3.360 -11.755 1.00 0.00 C ATOM 672 OD1 ASP A 876 -3.798 2.273 -12.350 1.00 0.00 O ATOM 673 OD2 ASP A 876 -4.805 4.237 -12.046 1.00 0.00 O ATOM 0 H ASP A 876 -2.425 1.094 -8.531 1.00 0.00 H new ATOM 0 HA ASP A 876 -2.188 1.740 -11.031 1.00 0.00 H new ATOM 0 HB2 ASP A 876 -3.647 3.999 -9.726 1.00 0.00 H new ATOM 0 HB3 ASP A 876 -2.353 4.438 -10.823 1.00 0.00 H new ATOM 678 N GLY A 877 -0.498 2.214 -8.515 1.00 0.00 N ATOM 679 CA GLY A 877 0.810 2.484 -7.952 1.00 0.00 C ATOM 680 C GLY A 877 1.799 1.407 -8.375 1.00 0.00 C ATOM 681 O GLY A 877 1.765 0.942 -9.512 1.00 0.00 O ATOM 0 H GLY A 877 -1.078 1.591 -7.953 1.00 0.00 H new ATOM 0 HA2 GLY A 877 1.162 3.461 -8.284 1.00 0.00 H new ATOM 0 HA3 GLY A 877 0.745 2.521 -6.865 1.00 0.00 H new ATOM 685 N ASP A 878 2.682 1.011 -7.455 1.00 0.00 N ATOM 686 CA ASP A 878 3.675 -0.006 -7.737 1.00 0.00 C ATOM 687 C ASP A 878 4.206 -0.582 -6.432 1.00 0.00 C ATOM 688 O ASP A 878 4.047 0.023 -5.375 1.00 0.00 O ATOM 689 CB ASP A 878 4.806 0.603 -8.560 1.00 0.00 C ATOM 690 CG ASP A 878 4.576 0.380 -10.049 1.00 0.00 C ATOM 691 OD1 ASP A 878 3.707 -0.459 -10.369 1.00 0.00 O ATOM 692 OD2 ASP A 878 5.274 1.053 -10.837 1.00 0.00 O ATOM 0 H ASP A 878 2.722 1.386 -6.507 1.00 0.00 H new ATOM 0 HA ASP A 878 3.222 -0.815 -8.311 1.00 0.00 H new ATOM 0 HB2 ASP A 878 4.876 1.671 -8.355 1.00 0.00 H new ATOM 0 HB3 ASP A 878 5.756 0.159 -8.264 1.00 0.00 H new ATOM 697 N LEU A 879 4.839 -1.755 -6.509 1.00 0.00 N ATOM 698 CA LEU A 879 5.390 -2.406 -5.337 1.00 0.00 C ATOM 699 C LEU A 879 6.803 -2.889 -5.630 1.00 0.00 C ATOM 700 O LEU A 879 7.032 -3.582 -6.618 1.00 0.00 O ATOM 701 CB LEU A 879 4.492 -3.572 -4.934 1.00 0.00 C ATOM 702 CG LEU A 879 3.561 -3.132 -3.809 1.00 0.00 C ATOM 703 CD1 LEU A 879 3.142 -1.682 -4.032 1.00 0.00 C ATOM 704 CD2 LEU A 879 2.322 -4.023 -3.797 1.00 0.00 C ATOM 0 H LEU A 879 4.979 -2.269 -7.379 1.00 0.00 H new ATOM 0 HA LEU A 879 5.435 -1.697 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 879 3.910 -3.909 -5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 879 5.099 -4.417 -4.609 1.00 0.00 H new ATOM 0 HG LEU A 879 4.080 -3.217 -2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 879 2.477 -1.368 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 879 4.026 -1.045 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 879 2.623 -1.596 -4.987 1.00 0.00 H new ATOM 0 HD21 LEU A 879 1.656 -3.709 -2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 879 1.803 -3.938 -4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 879 2.620 -5.059 -3.637 1.00 0.00 H new ATOM 716 N VAL A 880 7.752 -2.520 -4.766 1.00 0.00 N ATOM 717 CA VAL A 880 9.136 -2.916 -4.935 1.00 0.00 C ATOM 718 C VAL A 880 9.517 -3.926 -3.862 1.00 0.00 C ATOM 719 O VAL A 880 9.082 -3.812 -2.718 1.00 0.00 O ATOM 720 CB VAL A 880 10.030 -1.682 -4.860 1.00 0.00 C ATOM 721 CG1 VAL A 880 10.945 -1.641 -6.080 1.00 0.00 C ATOM 722 CG2 VAL A 880 9.163 -0.427 -4.832 1.00 0.00 C ATOM 0 H VAL A 880 7.577 -1.945 -3.942 1.00 0.00 H new ATOM 0 HA VAL A 880 9.269 -3.385 -5.910 1.00 0.00 H new ATOM 0 HB VAL A 880 10.635 -1.726 -3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 880 11.584 -0.759 -6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 880 11.565 -2.537 -6.100 1.00 0.00 H new ATOM 0 HG13 VAL A 880 10.341 -1.597 -6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 880 9.801 0.455 -4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 880 8.558 -0.383 -5.738 1.00 0.00 H new ATOM 0 HG23 VAL A 880 8.510 -0.456 -3.960 1.00 0.00 H new ATOM 732 N GLN A 881 10.333 -4.915 -4.233 1.00 0.00 N ATOM 733 CA GLN A 881 10.766 -5.938 -3.302 1.00 0.00 C ATOM 734 C GLN A 881 11.775 -5.352 -2.325 1.00 0.00 C ATOM 735 O GLN A 881 12.686 -4.632 -2.727 1.00 0.00 O ATOM 736 CB GLN A 881 11.377 -7.102 -4.077 1.00 0.00 C ATOM 737 CG GLN A 881 10.398 -7.571 -5.149 1.00 0.00 C ATOM 738 CD GLN A 881 11.087 -7.688 -6.501 1.00 0.00 C ATOM 739 OE1 GLN A 881 11.963 -8.530 -6.682 1.00 0.00 O ATOM 740 NE2 GLN A 881 10.690 -6.838 -7.450 1.00 0.00 N ATOM 0 H GLN A 881 10.704 -5.022 -5.177 1.00 0.00 H new ATOM 0 HA GLN A 881 9.911 -6.305 -2.734 1.00 0.00 H new ATOM 0 HB2 GLN A 881 12.316 -6.793 -4.537 1.00 0.00 H new ATOM 0 HB3 GLN A 881 11.609 -7.922 -3.398 1.00 0.00 H new ATOM 0 HG2 GLN A 881 9.978 -8.536 -4.866 1.00 0.00 H new ATOM 0 HG3 GLN A 881 9.567 -6.870 -5.220 1.00 0.00 H new ATOM 0 HE21 GLN A 881 9.958 -6.156 -7.250 1.00 0.00 H new ATOM 0 HE22 GLN A 881 11.119 -6.870 -8.375 1.00 0.00 H new ATOM 749 N GLU A 882 11.611 -5.662 -1.037 1.00 0.00 N ATOM 750 CA GLU A 882 12.509 -5.166 -0.013 1.00 0.00 C ATOM 751 C GLU A 882 13.873 -4.866 -0.619 1.00 0.00 C ATOM 752 O GLU A 882 14.242 -3.704 -0.777 1.00 0.00 O ATOM 753 CB GLU A 882 12.629 -6.201 1.102 1.00 0.00 C ATOM 754 CG GLU A 882 13.732 -5.782 2.069 1.00 0.00 C ATOM 755 CD GLU A 882 14.670 -6.946 2.360 1.00 0.00 C ATOM 756 OE1 GLU A 882 15.017 -7.651 1.388 1.00 0.00 O ATOM 757 OE2 GLU A 882 15.021 -7.108 3.548 1.00 0.00 O ATOM 0 H GLU A 882 10.860 -6.256 -0.686 1.00 0.00 H new ATOM 0 HA GLU A 882 12.111 -4.242 0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 882 11.681 -6.291 1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 882 12.853 -7.181 0.680 1.00 0.00 H new ATOM 0 HG2 GLU A 882 14.297 -4.952 1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 882 13.290 -5.425 2.999 1.00 0.00 H new ATOM 764 N PHE A 883 14.621 -5.917 -0.959 1.00 0.00 N ATOM 765 CA PHE A 883 15.936 -5.760 -1.546 1.00 0.00 C ATOM 766 C PHE A 883 15.819 -5.078 -2.902 1.00 0.00 C ATOM 767 O PHE A 883 16.636 -5.313 -3.790 1.00 0.00 O ATOM 768 CB PHE A 883 16.598 -7.128 -1.683 1.00 0.00 C ATOM 769 CG PHE A 883 15.920 -8.027 -2.690 1.00 0.00 C ATOM 770 CD1 PHE A 883 14.856 -8.845 -2.292 1.00 0.00 C ATOM 771 CD2 PHE A 883 16.357 -8.044 -4.020 1.00 0.00 C ATOM 772 CE1 PHE A 883 14.229 -9.680 -3.225 1.00 0.00 C ATOM 773 CE2 PHE A 883 15.730 -8.879 -4.952 1.00 0.00 C ATOM 774 CZ PHE A 883 14.666 -9.697 -4.555 1.00 0.00 C ATOM 0 H PHE A 883 14.330 -6.886 -0.834 1.00 0.00 H new ATOM 0 HA PHE A 883 16.554 -5.135 -0.901 1.00 0.00 H new ATOM 0 HB2 PHE A 883 17.640 -6.991 -1.973 1.00 0.00 H new ATOM 0 HB3 PHE A 883 16.600 -7.621 -0.711 1.00 0.00 H new ATOM 0 HD1 PHE A 883 14.519 -8.832 -1.266 1.00 0.00 H new ATOM 0 HD2 PHE A 883 17.178 -7.413 -4.327 1.00 0.00 H new ATOM 0 HE1 PHE A 883 13.408 -10.311 -2.918 1.00 0.00 H new ATOM 0 HE2 PHE A 883 16.067 -8.892 -5.978 1.00 0.00 H new ATOM 0 HZ PHE A 883 14.182 -10.341 -5.274 1.00 0.00 H new ATOM 784 N ASP A 884 14.799 -4.231 -3.060 1.00 0.00 N ATOM 785 CA ASP A 884 14.581 -3.522 -4.305 1.00 0.00 C ATOM 786 C ASP A 884 13.628 -2.358 -4.073 1.00 0.00 C ATOM 787 O ASP A 884 12.413 -2.543 -4.054 1.00 0.00 O ATOM 788 CB ASP A 884 14.016 -4.485 -5.345 1.00 0.00 C ATOM 789 CG ASP A 884 15.073 -5.486 -5.790 1.00 0.00 C ATOM 790 OD1 ASP A 884 16.168 -5.021 -6.175 1.00 0.00 O ATOM 791 OD2 ASP A 884 14.767 -6.697 -5.736 1.00 0.00 O ATOM 0 H ASP A 884 14.114 -4.025 -2.333 1.00 0.00 H new ATOM 0 HA ASP A 884 15.527 -3.124 -4.674 1.00 0.00 H new ATOM 0 HB2 ASP A 884 13.160 -5.015 -4.928 1.00 0.00 H new ATOM 0 HB3 ASP A 884 13.655 -3.924 -6.207 1.00 0.00 H new ATOM 796 N MET A 885 14.181 -1.156 -3.898 1.00 0.00 N ATOM 797 CA MET A 885 13.377 0.027 -3.667 1.00 0.00 C ATOM 798 C MET A 885 14.123 1.263 -4.148 1.00 0.00 C ATOM 799 O MET A 885 13.521 2.177 -4.707 1.00 0.00 O ATOM 800 CB MET A 885 13.051 0.138 -2.180 1.00 0.00 C ATOM 801 CG MET A 885 14.036 -0.708 -1.379 1.00 0.00 C ATOM 802 SD MET A 885 13.620 -0.857 0.376 1.00 0.00 S ATOM 803 CE MET A 885 12.727 -2.430 0.330 1.00 0.00 C ATOM 0 H MET A 885 15.186 -0.985 -3.913 1.00 0.00 H new ATOM 0 HA MET A 885 12.445 -0.050 -4.226 1.00 0.00 H new ATOM 0 HB2 MET A 885 13.106 1.179 -1.861 1.00 0.00 H new ATOM 0 HB3 MET A 885 12.031 -0.199 -1.994 1.00 0.00 H new ATOM 0 HG2 MET A 885 14.083 -1.705 -1.817 1.00 0.00 H new ATOM 0 HG3 MET A 885 15.031 -0.273 -1.470 1.00 0.00 H new ATOM 0 HE1 MET A 885 11.862 -2.377 0.991 1.00 0.00 H new ATOM 0 HE2 MET A 885 12.394 -2.630 -0.689 1.00 0.00 H new ATOM 0 HE3 MET A 885 13.387 -3.233 0.660 1.00 0.00 H new ATOM 813 N THR A 886 15.440 1.289 -3.931 1.00 0.00 N ATOM 814 CA THR A 886 16.257 2.412 -4.345 1.00 0.00 C ATOM 815 C THR A 886 15.425 3.384 -5.168 1.00 0.00 C ATOM 816 O THR A 886 15.407 4.581 -4.888 1.00 0.00 O ATOM 817 CB THR A 886 17.448 1.902 -5.152 1.00 0.00 C ATOM 818 OG1 THR A 886 17.033 1.609 -6.468 1.00 0.00 O ATOM 819 CG2 THR A 886 18.001 0.638 -4.501 1.00 0.00 C ATOM 0 H THR A 886 15.956 0.540 -3.470 1.00 0.00 H new ATOM 0 HA THR A 886 16.628 2.939 -3.466 1.00 0.00 H new ATOM 0 HB THR A 886 18.224 2.667 -5.177 1.00 0.00 H new ATOM 0 HG1 THR A 886 17.798 1.283 -6.987 1.00 0.00 H new ATOM 0 HG21 THR A 886 18.851 0.274 -5.078 1.00 0.00 H new ATOM 0 HG22 THR A 886 18.322 0.863 -3.484 1.00 0.00 H new ATOM 0 HG23 THR A 886 17.225 -0.127 -4.476 1.00 0.00 H new ATOM 827 N SER A 887 14.734 2.866 -6.186 1.00 0.00 N ATOM 828 CA SER A 887 13.904 3.689 -7.042 1.00 0.00 C ATOM 829 C SER A 887 12.458 3.633 -6.569 1.00 0.00 C ATOM 830 O SER A 887 11.652 4.489 -6.926 1.00 0.00 O ATOM 831 CB SER A 887 14.020 3.202 -8.484 1.00 0.00 C ATOM 832 OG SER A 887 14.901 4.043 -9.194 1.00 0.00 O ATOM 0 H SER A 887 14.739 1.876 -6.431 1.00 0.00 H new ATOM 0 HA SER A 887 14.241 4.724 -6.994 1.00 0.00 H new ATOM 0 HB2 SER A 887 14.385 2.175 -8.504 1.00 0.00 H new ATOM 0 HB3 SER A 887 13.039 3.201 -8.959 1.00 0.00 H new ATOM 0 HG SER A 887 14.977 3.730 -10.120 1.00 0.00 H new ATOM 838 N ALA A 888 12.133 2.622 -5.760 1.00 0.00 N ATOM 839 CA ALA A 888 10.789 2.459 -5.242 1.00 0.00 C ATOM 840 C ALA A 888 10.251 3.804 -4.775 1.00 0.00 C ATOM 841 O ALA A 888 10.987 4.787 -4.727 1.00 0.00 O ATOM 842 CB ALA A 888 10.806 1.454 -4.094 1.00 0.00 C ATOM 0 H ALA A 888 12.791 1.906 -5.453 1.00 0.00 H new ATOM 0 HA ALA A 888 10.134 2.081 -6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 888 9.796 1.331 -3.704 1.00 0.00 H new ATOM 0 HB2 ALA A 888 11.175 0.494 -4.456 1.00 0.00 H new ATOM 0 HB3 ALA A 888 11.459 1.818 -3.301 1.00 0.00 H new ATOM 848 N THR A 889 8.962 3.846 -4.429 1.00 0.00 N ATOM 849 CA THR A 889 8.337 5.069 -3.968 1.00 0.00 C ATOM 850 C THR A 889 8.193 5.040 -2.454 1.00 0.00 C ATOM 851 O THR A 889 8.605 5.974 -1.769 1.00 0.00 O ATOM 852 CB THR A 889 6.975 5.227 -4.638 1.00 0.00 C ATOM 853 OG1 THR A 889 6.617 6.591 -4.659 1.00 0.00 O ATOM 854 CG2 THR A 889 5.929 4.439 -3.854 1.00 0.00 C ATOM 0 H THR A 889 8.337 3.041 -4.463 1.00 0.00 H new ATOM 0 HA THR A 889 8.961 5.922 -4.235 1.00 0.00 H new ATOM 0 HB THR A 889 7.026 4.849 -5.659 1.00 0.00 H new ATOM 0 HG1 THR A 889 5.933 6.739 -5.345 1.00 0.00 H new ATOM 0 HG21 THR A 889 4.956 4.551 -4.332 1.00 0.00 H new ATOM 0 HG22 THR A 889 6.205 3.385 -3.837 1.00 0.00 H new ATOM 0 HG23 THR A 889 5.878 4.818 -2.833 1.00 0.00 H new ATOM 862 N HIS A 890 7.606 3.961 -1.929 1.00 0.00 N ATOM 863 CA HIS A 890 7.411 3.820 -0.500 1.00 0.00 C ATOM 864 C HIS A 890 7.854 2.434 -0.049 1.00 0.00 C ATOM 865 O HIS A 890 8.218 1.598 -0.873 1.00 0.00 O ATOM 866 CB HIS A 890 5.942 4.054 -0.162 1.00 0.00 C ATOM 867 CG HIS A 890 5.297 5.077 -1.056 1.00 0.00 C ATOM 868 ND1 HIS A 890 5.953 5.989 -1.851 1.00 0.00 N ATOM 869 CD2 HIS A 890 3.952 5.267 -1.226 1.00 0.00 C ATOM 870 CE1 HIS A 890 5.015 6.715 -2.485 1.00 0.00 C ATOM 871 NE2 HIS A 890 3.781 6.313 -2.138 1.00 0.00 N ATOM 0 H HIS A 890 7.260 3.176 -2.481 1.00 0.00 H new ATOM 0 HA HIS A 890 8.014 4.560 0.026 1.00 0.00 H new ATOM 0 HB2 HIS A 890 5.400 3.112 -0.244 1.00 0.00 H new ATOM 0 HB3 HIS A 890 5.859 4.380 0.875 1.00 0.00 H new ATOM 0 HD1 HIS A 890 6.963 6.095 -1.942 1.00 0.00 H new ATOM 0 HD2 HIS A 890 3.164 4.709 -0.742 1.00 0.00 H new ATOM 0 HE1 HIS A 890 5.226 7.514 -3.180 1.00 0.00 H new ATOM 879 N VAL A 891 7.822 2.194 1.263 1.00 0.00 N ATOM 880 CA VAL A 891 8.218 0.914 1.816 1.00 0.00 C ATOM 881 C VAL A 891 7.389 0.610 3.056 1.00 0.00 C ATOM 882 O VAL A 891 7.709 1.075 4.148 1.00 0.00 O ATOM 883 CB VAL A 891 9.706 0.946 2.155 1.00 0.00 C ATOM 884 CG1 VAL A 891 10.517 0.573 0.918 1.00 0.00 C ATOM 885 CG2 VAL A 891 10.093 2.350 2.612 1.00 0.00 C ATOM 0 H VAL A 891 7.523 2.878 1.959 1.00 0.00 H new ATOM 0 HA VAL A 891 8.042 0.126 1.083 1.00 0.00 H new ATOM 0 HB VAL A 891 9.912 0.234 2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 891 11.580 0.596 1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 891 10.241 -0.429 0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 891 10.311 1.286 0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 891 11.155 2.374 2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 891 9.887 3.062 1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 891 9.513 2.618 3.495 1.00 0.00 H new ATOM 895 N LEU A 892 6.321 -0.172 2.885 1.00 0.00 N ATOM 896 CA LEU A 892 5.454 -0.534 3.988 1.00 0.00 C ATOM 897 C LEU A 892 6.273 -1.167 5.104 1.00 0.00 C ATOM 898 O LEU A 892 7.108 -2.033 4.850 1.00 0.00 O ATOM 899 CB LEU A 892 4.378 -1.498 3.494 1.00 0.00 C ATOM 900 CG LEU A 892 3.056 -1.183 4.188 1.00 0.00 C ATOM 901 CD1 LEU A 892 1.962 -1.001 3.139 1.00 0.00 C ATOM 902 CD2 LEU A 892 2.683 -2.334 5.118 1.00 0.00 C ATOM 0 H LEU A 892 6.042 -0.564 1.986 1.00 0.00 H new ATOM 0 HA LEU A 892 4.970 0.360 4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 892 4.264 -1.410 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 892 4.673 -2.527 3.701 1.00 0.00 H new ATOM 0 HG LEU A 892 3.159 -0.266 4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 892 1.017 -0.776 3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 892 2.228 -0.179 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 892 1.858 -1.918 2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 892 1.739 -2.110 5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 892 2.579 -3.251 4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 892 3.464 -2.464 5.867 1.00 0.00 H new ATOM 914 N GLY A 893 6.033 -0.735 6.344 1.00 0.00 N ATOM 915 CA GLY A 893 6.751 -1.263 7.487 1.00 0.00 C ATOM 916 C GLY A 893 7.988 -0.421 7.768 1.00 0.00 C ATOM 917 O GLY A 893 7.951 0.483 8.599 1.00 0.00 O ATOM 0 H GLY A 893 5.344 -0.019 6.574 1.00 0.00 H new ATOM 0 HA2 GLY A 893 6.101 -1.270 8.362 1.00 0.00 H new ATOM 0 HA3 GLY A 893 7.041 -2.296 7.297 1.00 0.00 H new ATOM 921 N SER A 894 9.086 -0.722 7.072 1.00 0.00 N ATOM 922 CA SER A 894 10.326 0.007 7.249 1.00 0.00 C ATOM 923 C SER A 894 10.690 0.728 5.959 1.00 0.00 C ATOM 924 O SER A 894 9.875 0.819 5.044 1.00 0.00 O ATOM 925 CB SER A 894 11.431 -0.963 7.657 1.00 0.00 C ATOM 926 OG SER A 894 11.221 -1.382 8.987 1.00 0.00 O ATOM 0 H SER A 894 9.133 -1.470 6.380 1.00 0.00 H new ATOM 0 HA SER A 894 10.205 0.752 8.036 1.00 0.00 H new ATOM 0 HB2 SER A 894 11.438 -1.825 6.990 1.00 0.00 H new ATOM 0 HB3 SER A 894 12.405 -0.481 7.566 1.00 0.00 H new ATOM 0 HG SER A 894 11.929 -2.006 9.249 1.00 0.00 H new ATOM 932 N ARG A 895 11.921 1.239 5.887 1.00 0.00 N ATOM 933 CA ARG A 895 12.388 1.948 4.713 1.00 0.00 C ATOM 934 C ARG A 895 13.850 1.614 4.456 1.00 0.00 C ATOM 935 O ARG A 895 14.297 1.615 3.311 1.00 0.00 O ATOM 936 CB ARG A 895 12.205 3.449 4.920 1.00 0.00 C ATOM 937 CG ARG A 895 12.849 3.863 6.240 1.00 0.00 C ATOM 938 CD ARG A 895 14.032 4.786 5.962 1.00 0.00 C ATOM 939 NE ARG A 895 14.738 5.121 7.199 1.00 0.00 N ATOM 940 CZ ARG A 895 15.404 6.272 7.365 1.00 0.00 C ATOM 941 NH1 ARG A 895 15.441 7.174 6.374 1.00 0.00 N ATOM 942 NH2 ARG A 895 16.032 6.522 8.522 1.00 0.00 N ATOM 0 H ARG A 895 12.609 1.170 6.637 1.00 0.00 H new ATOM 0 HA ARG A 895 11.807 1.641 3.843 1.00 0.00 H new ATOM 0 HB2 ARG A 895 12.657 3.999 4.094 1.00 0.00 H new ATOM 0 HB3 ARG A 895 11.144 3.699 4.926 1.00 0.00 H new ATOM 0 HG2 ARG A 895 12.118 4.370 6.870 1.00 0.00 H new ATOM 0 HG3 ARG A 895 13.183 2.981 6.786 1.00 0.00 H new ATOM 0 HD2 ARG A 895 14.719 4.303 5.266 1.00 0.00 H new ATOM 0 HD3 ARG A 895 13.680 5.699 5.481 1.00 0.00 H new ATOM 0 HE ARG A 895 14.723 4.450 7.967 1.00 0.00 H new ATOM 0 HH11 ARG A 895 14.962 6.984 5.494 1.00 0.00 H new ATOM 0 HH12 ARG A 895 15.948 8.050 6.500 1.00 0.00 H new ATOM 0 HH21 ARG A 895 16.003 5.836 9.276 1.00 0.00 H new ATOM 0 HH22 ARG A 895 16.539 7.398 8.648 1.00 0.00 H new ATOM 956 N ASP A 896 14.596 1.328 5.525 1.00 0.00 N ATOM 957 CA ASP A 896 16.001 0.994 5.410 1.00 0.00 C ATOM 958 C ASP A 896 16.334 0.661 3.962 1.00 0.00 C ATOM 959 O ASP A 896 16.893 1.488 3.246 1.00 0.00 O ATOM 960 CB ASP A 896 16.320 -0.185 6.324 1.00 0.00 C ATOM 961 CG ASP A 896 17.594 -0.889 5.879 1.00 0.00 C ATOM 962 OD1 ASP A 896 18.382 -0.237 5.160 1.00 0.00 O ATOM 963 OD2 ASP A 896 17.757 -2.066 6.266 1.00 0.00 O ATOM 0 H ASP A 896 14.240 1.323 6.481 1.00 0.00 H new ATOM 0 HA ASP A 896 16.608 1.846 5.715 1.00 0.00 H new ATOM 0 HB2 ASP A 896 16.433 0.165 7.350 1.00 0.00 H new ATOM 0 HB3 ASP A 896 15.489 -0.890 6.318 1.00 0.00 H new ATOM 968 N LYS A 897 15.989 -0.556 3.533 1.00 0.00 N ATOM 969 CA LYS A 897 16.254 -0.989 2.176 1.00 0.00 C ATOM 970 C LYS A 897 16.231 0.208 1.236 1.00 0.00 C ATOM 971 O LYS A 897 16.999 0.263 0.279 1.00 0.00 O ATOM 972 CB LYS A 897 15.210 -2.022 1.761 1.00 0.00 C ATOM 973 CG LYS A 897 14.206 -2.214 2.894 1.00 0.00 C ATOM 974 CD LYS A 897 13.246 -1.029 2.930 1.00 0.00 C ATOM 975 CE LYS A 897 12.636 -0.911 4.324 1.00 0.00 C ATOM 976 NZ LYS A 897 11.186 -0.673 4.246 1.00 0.00 N ATOM 0 H LYS A 897 15.525 -1.254 4.114 1.00 0.00 H new ATOM 0 HA LYS A 897 17.242 -1.446 2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 897 14.696 -1.693 0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 897 15.694 -2.970 1.525 1.00 0.00 H new ATOM 0 HG2 LYS A 897 13.651 -3.141 2.749 1.00 0.00 H new ATOM 0 HG3 LYS A 897 14.729 -2.301 3.846 1.00 0.00 H new ATOM 0 HD2 LYS A 897 13.775 -0.111 2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 897 12.459 -1.162 2.187 1.00 0.00 H new ATOM 0 HE2 LYS A 897 12.829 -1.824 4.888 1.00 0.00 H new ATOM 0 HE3 LYS A 897 13.114 -0.095 4.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 897 10.722 -1.083 5.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 897 11.003 0.350 4.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 897 10.807 -1.118 3.386 1.00 0.00 H new ATOM 990 N ASN A 898 15.346 1.168 1.512 1.00 0.00 N ATOM 991 CA ASN A 898 15.229 2.357 0.691 1.00 0.00 C ATOM 992 C ASN A 898 14.592 3.482 1.494 1.00 0.00 C ATOM 993 O ASN A 898 13.371 3.538 1.628 1.00 0.00 O ATOM 994 CB ASN A 898 14.396 2.038 -0.547 1.00 0.00 C ATOM 995 CG ASN A 898 14.626 3.074 -1.638 1.00 0.00 C ATOM 996 OD1 ASN A 898 15.734 3.584 -1.789 1.00 0.00 O ATOM 997 ND2 ASN A 898 13.575 3.385 -2.400 1.00 0.00 N ATOM 0 H ASN A 898 14.702 1.137 2.302 1.00 0.00 H new ATOM 0 HA ASN A 898 16.220 2.682 0.374 1.00 0.00 H new ATOM 0 HB2 ASN A 898 14.656 1.047 -0.920 1.00 0.00 H new ATOM 0 HB3 ASN A 898 13.339 2.011 -0.282 1.00 0.00 H new ATOM 0 HD21 ASN A 898 13.672 4.073 -3.146 1.00 0.00 H new ATOM 0 HD22 ASN A 898 12.675 2.934 -2.236 1.00 0.00 H new ATOM 1004 N PRO A 899 15.423 4.379 2.029 1.00 0.00 N ATOM 1005 CA PRO A 899 14.998 5.514 2.820 1.00 0.00 C ATOM 1006 C PRO A 899 14.347 6.551 1.916 1.00 0.00 C ATOM 1007 O PRO A 899 13.711 7.486 2.397 1.00 0.00 O ATOM 1008 CB PRO A 899 16.281 6.060 3.443 1.00 0.00 C ATOM 1009 CG PRO A 899 17.342 5.700 2.403 1.00 0.00 C ATOM 1010 CD PRO A 899 16.862 4.343 1.892 1.00 0.00 C ATOM 0 HA PRO A 899 14.264 5.249 3.581 1.00 0.00 H new ATOM 0 HB2 PRO A 899 16.225 7.136 3.608 1.00 0.00 H new ATOM 0 HB3 PRO A 899 16.489 5.600 4.409 1.00 0.00 H new ATOM 0 HG2 PRO A 899 17.393 6.439 1.604 1.00 0.00 H new ATOM 0 HG3 PRO A 899 18.337 5.638 2.844 1.00 0.00 H new ATOM 0 HD2 PRO A 899 17.156 4.186 0.854 1.00 0.00 H new ATOM 0 HD3 PRO A 899 17.293 3.528 2.473 1.00 0.00 H new ATOM 1018 N ALA A 900 14.509 6.385 0.601 1.00 0.00 N ATOM 1019 CA ALA A 900 13.940 7.306 -0.362 1.00 0.00 C ATOM 1020 C ALA A 900 12.492 6.929 -0.643 1.00 0.00 C ATOM 1021 O ALA A 900 11.792 7.640 -1.360 1.00 0.00 O ATOM 1022 CB ALA A 900 14.766 7.274 -1.644 1.00 0.00 C ATOM 0 H ALA A 900 15.034 5.615 0.186 1.00 0.00 H new ATOM 0 HA ALA A 900 13.959 8.318 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 900 14.339 7.966 -2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 900 15.792 7.567 -1.423 1.00 0.00 H new ATOM 0 HB3 ALA A 900 14.758 6.265 -2.057 1.00 0.00 H new ATOM 1028 N ALA A 901 12.045 5.806 -0.076 1.00 0.00 N ATOM 1029 CA ALA A 901 10.687 5.341 -0.269 1.00 0.00 C ATOM 1030 C ALA A 901 9.834 5.728 0.930 1.00 0.00 C ATOM 1031 O ALA A 901 10.301 5.687 2.066 1.00 0.00 O ATOM 1032 CB ALA A 901 10.692 3.827 -0.463 1.00 0.00 C ATOM 0 H ALA A 901 12.614 5.206 0.521 1.00 0.00 H new ATOM 0 HA ALA A 901 10.261 5.807 -1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 901 9.671 3.475 -0.608 1.00 0.00 H new ATOM 0 HB2 ALA A 901 11.291 3.574 -1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 901 11.118 3.349 0.419 1.00 0.00 H new ATOM 1038 N GLN A 902 8.579 6.105 0.676 1.00 0.00 N ATOM 1039 CA GLN A 902 7.670 6.499 1.734 1.00 0.00 C ATOM 1040 C GLN A 902 7.450 5.332 2.686 1.00 0.00 C ATOM 1041 O GLN A 902 7.041 4.252 2.265 1.00 0.00 O ATOM 1042 CB GLN A 902 6.347 6.954 1.123 1.00 0.00 C ATOM 1043 CG GLN A 902 6.136 8.437 1.413 1.00 0.00 C ATOM 1044 CD GLN A 902 6.696 8.808 2.779 1.00 0.00 C ATOM 1045 OE1 GLN A 902 7.255 9.889 2.950 1.00 0.00 O ATOM 1046 NE2 GLN A 902 6.545 7.907 3.752 1.00 0.00 N ATOM 0 H GLN A 902 8.176 6.143 -0.260 1.00 0.00 H new ATOM 0 HA GLN A 902 8.099 7.327 2.298 1.00 0.00 H new ATOM 0 HB2 GLN A 902 6.352 6.780 0.047 1.00 0.00 H new ATOM 0 HB3 GLN A 902 5.524 6.371 1.536 1.00 0.00 H new ATOM 0 HG2 GLN A 902 6.621 9.035 0.642 1.00 0.00 H new ATOM 0 HG3 GLN A 902 5.072 8.671 1.376 1.00 0.00 H new ATOM 0 HE21 GLN A 902 6.073 7.023 3.560 1.00 0.00 H new ATOM 0 HE22 GLN A 902 6.901 8.102 4.688 1.00 0.00 H new ATOM 1055 N GLN A 903 7.723 5.552 3.975 1.00 0.00 N ATOM 1056 CA GLN A 903 7.554 4.519 4.978 1.00 0.00 C ATOM 1057 C GLN A 903 6.124 4.533 5.498 1.00 0.00 C ATOM 1058 O GLN A 903 5.870 4.994 6.609 1.00 0.00 O ATOM 1059 CB GLN A 903 8.546 4.751 6.115 1.00 0.00 C ATOM 1060 CG GLN A 903 9.135 3.415 6.557 1.00 0.00 C ATOM 1061 CD GLN A 903 9.958 3.579 7.827 1.00 0.00 C ATOM 1062 OE1 GLN A 903 9.482 4.145 8.809 1.00 0.00 O ATOM 1063 NE2 GLN A 903 11.197 3.081 7.805 1.00 0.00 N ATOM 0 H GLN A 903 8.062 6.442 4.341 1.00 0.00 H new ATOM 0 HA GLN A 903 7.748 3.541 4.536 1.00 0.00 H new ATOM 0 HB2 GLN A 903 9.341 5.420 5.787 1.00 0.00 H new ATOM 0 HB3 GLN A 903 8.047 5.236 6.954 1.00 0.00 H new ATOM 0 HG2 GLN A 903 8.332 2.698 6.729 1.00 0.00 H new ATOM 0 HG3 GLN A 903 9.761 3.008 5.763 1.00 0.00 H new ATOM 0 HE21 GLN A 903 11.546 2.620 6.965 1.00 0.00 H new ATOM 0 HE22 GLN A 903 11.794 3.162 8.628 1.00 0.00 H new ATOM 1072 N VAL A 904 5.189 4.025 4.692 1.00 0.00 N ATOM 1073 CA VAL A 904 3.792 3.981 5.074 1.00 0.00 C ATOM 1074 C VAL A 904 3.518 2.719 5.880 1.00 0.00 C ATOM 1075 O VAL A 904 4.419 1.912 6.098 1.00 0.00 O ATOM 1076 CB VAL A 904 2.922 4.022 3.821 1.00 0.00 C ATOM 1077 CG1 VAL A 904 3.773 4.433 2.623 1.00 0.00 C ATOM 1078 CG2 VAL A 904 2.325 2.640 3.571 1.00 0.00 C ATOM 0 H VAL A 904 5.384 3.639 3.768 1.00 0.00 H new ATOM 0 HA VAL A 904 3.553 4.844 5.695 1.00 0.00 H new ATOM 0 HB VAL A 904 2.119 4.745 3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 904 3.151 4.462 1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 904 4.199 5.420 2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 904 4.577 3.711 2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 904 1.703 2.669 2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 904 3.128 1.916 3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 904 1.716 2.346 4.426 1.00 0.00 H new ATOM 1088 N SER A 905 2.270 2.550 6.322 1.00 0.00 N ATOM 1089 CA SER A 905 1.886 1.389 7.098 1.00 0.00 C ATOM 1090 C SER A 905 0.659 0.735 6.478 1.00 0.00 C ATOM 1091 O SER A 905 0.227 1.123 5.395 1.00 0.00 O ATOM 1092 CB SER A 905 1.604 1.811 8.537 1.00 0.00 C ATOM 1093 OG SER A 905 0.214 1.964 8.718 1.00 0.00 O ATOM 0 H SER A 905 1.512 3.210 6.150 1.00 0.00 H new ATOM 0 HA SER A 905 2.699 0.663 7.098 1.00 0.00 H new ATOM 0 HB2 SER A 905 1.992 1.063 9.229 1.00 0.00 H new ATOM 0 HB3 SER A 905 2.116 2.747 8.760 1.00 0.00 H new ATOM 0 HG SER A 905 -0.004 1.876 9.669 1.00 0.00 H new ATOM 1099 N PRO A 906 0.099 -0.261 7.168 1.00 0.00 N ATOM 1100 CA PRO A 906 -1.071 -0.996 6.736 1.00 0.00 C ATOM 1101 C PRO A 906 -2.305 -0.115 6.869 1.00 0.00 C ATOM 1102 O PRO A 906 -3.231 -0.216 6.068 1.00 0.00 O ATOM 1103 CB PRO A 906 -1.150 -2.195 7.678 1.00 0.00 C ATOM 1104 CG PRO A 906 -0.526 -1.656 8.965 1.00 0.00 C ATOM 1105 CD PRO A 906 0.582 -0.744 8.443 1.00 0.00 C ATOM 0 HA PRO A 906 -1.015 -1.309 5.693 1.00 0.00 H new ATOM 0 HB2 PRO A 906 -2.179 -2.521 7.833 1.00 0.00 H new ATOM 0 HB3 PRO A 906 -0.599 -3.052 7.289 1.00 0.00 H new ATOM 0 HG2 PRO A 906 -1.250 -1.109 9.568 1.00 0.00 H new ATOM 0 HG3 PRO A 906 -0.131 -2.457 9.590 1.00 0.00 H new ATOM 0 HD2 PRO A 906 0.772 0.080 9.131 1.00 0.00 H new ATOM 0 HD3 PRO A 906 1.520 -1.287 8.330 1.00 0.00 H new ATOM 1113 N GLU A 907 -2.316 0.751 7.885 1.00 0.00 N ATOM 1114 CA GLU A 907 -3.436 1.642 8.115 1.00 0.00 C ATOM 1115 C GLU A 907 -3.480 2.711 7.032 1.00 0.00 C ATOM 1116 O GLU A 907 -4.533 3.284 6.765 1.00 0.00 O ATOM 1117 CB GLU A 907 -3.304 2.276 9.497 1.00 0.00 C ATOM 1118 CG GLU A 907 -3.493 1.207 10.568 1.00 0.00 C ATOM 1119 CD GLU A 907 -2.164 0.846 11.216 1.00 0.00 C ATOM 1120 OE1 GLU A 907 -1.393 1.789 11.492 1.00 0.00 O ATOM 1121 OE2 GLU A 907 -1.945 -0.368 11.424 1.00 0.00 O ATOM 0 H GLU A 907 -1.556 0.848 8.558 1.00 0.00 H new ATOM 0 HA GLU A 907 -4.368 1.078 8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 907 -2.324 2.742 9.603 1.00 0.00 H new ATOM 0 HB3 GLU A 907 -4.047 3.064 9.620 1.00 0.00 H new ATOM 0 HG2 GLU A 907 -4.187 1.567 11.328 1.00 0.00 H new ATOM 0 HG3 GLU A 907 -3.939 0.317 10.124 1.00 0.00 H new ATOM 1128 N TRP A 908 -2.331 2.978 6.408 1.00 0.00 N ATOM 1129 CA TRP A 908 -2.249 3.974 5.359 1.00 0.00 C ATOM 1130 C TRP A 908 -3.039 3.512 4.143 1.00 0.00 C ATOM 1131 O TRP A 908 -3.942 4.210 3.684 1.00 0.00 O ATOM 1132 CB TRP A 908 -0.785 4.209 4.995 1.00 0.00 C ATOM 1133 CG TRP A 908 -0.562 5.169 3.870 1.00 0.00 C ATOM 1134 CD1 TRP A 908 -0.576 6.515 3.980 1.00 0.00 C ATOM 1135 CD2 TRP A 908 -0.292 4.886 2.464 1.00 0.00 C ATOM 1136 NE1 TRP A 908 -0.335 7.081 2.746 1.00 0.00 N ATOM 1137 CE2 TRP A 908 -0.152 6.120 1.773 1.00 0.00 C ATOM 1138 CE3 TRP A 908 -0.151 3.713 1.701 1.00 0.00 C ATOM 1139 CZ2 TRP A 908 0.113 6.188 0.402 1.00 0.00 C ATOM 1140 CZ3 TRP A 908 0.115 3.770 0.325 1.00 0.00 C ATOM 1141 CH2 TRP A 908 0.247 5.002 -0.326 1.00 0.00 C ATOM 0 H TRP A 908 -1.448 2.513 6.618 1.00 0.00 H new ATOM 0 HA TRP A 908 -2.679 4.912 5.710 1.00 0.00 H new ATOM 0 HB2 TRP A 908 -0.261 4.577 5.877 1.00 0.00 H new ATOM 0 HB3 TRP A 908 -0.333 3.253 4.732 1.00 0.00 H new ATOM 0 HD1 TRP A 908 -0.749 7.064 4.894 1.00 0.00 H new ATOM 0 HE1 TRP A 908 -0.297 8.086 2.574 1.00 0.00 H new ATOM 0 HE3 TRP A 908 -0.249 2.752 2.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 908 0.213 7.145 -0.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 908 0.219 2.854 -0.238 1.00 0.00 H new ATOM 0 HH2 TRP A 908 0.451 5.036 -1.386 1.00 0.00 H new ATOM 1152 N ILE A 909 -2.698 2.332 3.621 1.00 0.00 N ATOM 1153 CA ILE A 909 -3.375 1.780 2.465 1.00 0.00 C ATOM 1154 C ILE A 909 -4.879 1.961 2.614 1.00 0.00 C ATOM 1155 O ILE A 909 -5.529 2.525 1.737 1.00 0.00 O ATOM 1156 CB ILE A 909 -3.018 0.303 2.323 1.00 0.00 C ATOM 1157 CG1 ILE A 909 -1.820 0.156 1.390 1.00 0.00 C ATOM 1158 CG2 ILE A 909 -4.210 -0.455 1.745 1.00 0.00 C ATOM 1159 CD1 ILE A 909 -0.698 -0.583 2.114 1.00 0.00 C ATOM 0 H ILE A 909 -1.951 1.743 3.990 1.00 0.00 H new ATOM 0 HA ILE A 909 -3.053 2.305 1.565 1.00 0.00 H new ATOM 0 HB ILE A 909 -2.767 -0.106 3.302 1.00 0.00 H new ATOM 0 HG12 ILE A 909 -2.110 -0.390 0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 909 -1.474 1.138 1.068 1.00 0.00 H new ATOM 0 HG21 ILE A 909 -3.956 -1.510 1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 909 -5.066 -0.351 2.412 1.00 0.00 H new ATOM 0 HG23 ILE A 909 -4.461 -0.046 0.766 1.00 0.00 H new ATOM 0 HD11 ILE A 909 0.158 -0.688 1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 909 -0.402 -0.019 2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 909 -1.047 -1.571 2.414 1.00 0.00 H new ATOM 1171 N TRP A 910 -5.434 1.480 3.729 1.00 0.00 N ATOM 1172 CA TRP A 910 -6.856 1.594 3.983 1.00 0.00 C ATOM 1173 C TRP A 910 -7.276 3.056 3.929 1.00 0.00 C ATOM 1174 O TRP A 910 -8.019 3.459 3.037 1.00 0.00 O ATOM 1175 CB TRP A 910 -7.178 0.988 5.346 1.00 0.00 C ATOM 1176 CG TRP A 910 -6.543 -0.338 5.612 1.00 0.00 C ATOM 1177 CD1 TRP A 910 -5.802 -0.645 6.699 1.00 0.00 C ATOM 1178 CD2 TRP A 910 -6.574 -1.549 4.797 1.00 0.00 C ATOM 1179 NE1 TRP A 910 -5.375 -1.953 6.613 1.00 0.00 N ATOM 1180 CE2 TRP A 910 -5.823 -2.559 5.457 1.00 0.00 C ATOM 1181 CE3 TRP A 910 -7.159 -1.898 3.566 1.00 0.00 C ATOM 1182 CZ2 TRP A 910 -5.661 -3.843 4.929 1.00 0.00 C ATOM 1183 CZ3 TRP A 910 -7.003 -3.183 3.027 1.00 0.00 C ATOM 1184 CH2 TRP A 910 -6.257 -4.155 3.703 1.00 0.00 C ATOM 0 H TRP A 910 -4.911 1.008 4.467 1.00 0.00 H new ATOM 0 HA TRP A 910 -7.410 1.051 3.218 1.00 0.00 H new ATOM 0 HB2 TRP A 910 -6.864 1.687 6.121 1.00 0.00 H new ATOM 0 HB3 TRP A 910 -8.259 0.881 5.433 1.00 0.00 H new ATOM 0 HD1 TRP A 910 -5.578 0.031 7.511 1.00 0.00 H new ATOM 0 HE1 TRP A 910 -4.799 -2.415 7.317 1.00 0.00 H new ATOM 0 HE3 TRP A 910 -7.738 -1.163 3.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 910 -5.083 -4.584 5.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 910 -7.463 -3.425 2.080 1.00 0.00 H new ATOM 0 HH2 TRP A 910 -6.142 -5.142 3.280 1.00 0.00 H new ATOM 1195 N ALA A 911 -6.797 3.851 4.889 1.00 0.00 N ATOM 1196 CA ALA A 911 -7.124 5.261 4.948 1.00 0.00 C ATOM 1197 C ALA A 911 -6.948 5.889 3.573 1.00 0.00 C ATOM 1198 O ALA A 911 -7.673 6.814 3.213 1.00 0.00 O ATOM 1199 CB ALA A 911 -6.229 5.948 5.975 1.00 0.00 C ATOM 0 H ALA A 911 -6.179 3.532 5.635 1.00 0.00 H new ATOM 0 HA ALA A 911 -8.164 5.385 5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 911 -6.475 7.009 6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 911 -6.387 5.497 6.955 1.00 0.00 H new ATOM 0 HB3 ALA A 911 -5.185 5.829 5.685 1.00 0.00 H new ATOM 1205 N CYS A 912 -5.980 5.383 2.805 1.00 0.00 N ATOM 1206 CA CYS A 912 -5.710 5.891 1.475 1.00 0.00 C ATOM 1207 C CYS A 912 -6.830 5.474 0.532 1.00 0.00 C ATOM 1208 O CYS A 912 -7.724 6.266 0.241 1.00 0.00 O ATOM 1209 CB CYS A 912 -4.365 5.355 0.990 1.00 0.00 C ATOM 1210 SG CYS A 912 -3.092 5.804 2.196 1.00 0.00 S ATOM 0 H CYS A 912 -5.371 4.617 3.092 1.00 0.00 H new ATOM 0 HA CYS A 912 -5.664 6.980 1.496 1.00 0.00 H new ATOM 0 HB2 CYS A 912 -4.410 4.272 0.873 1.00 0.00 H new ATOM 0 HB3 CYS A 912 -4.123 5.771 0.012 1.00 0.00 H new ATOM 0 HG CYS A 912 -1.922 5.471 1.737 1.00 0.00 H new ATOM 1216 N ILE A 913 -6.780 4.228 0.055 1.00 0.00 N ATOM 1217 CA ILE A 913 -7.788 3.713 -0.850 1.00 0.00 C ATOM 1218 C ILE A 913 -9.165 4.191 -0.411 1.00 0.00 C ATOM 1219 O ILE A 913 -9.986 4.571 -1.244 1.00 0.00 O ATOM 1220 CB ILE A 913 -7.724 2.188 -0.867 1.00 0.00 C ATOM 1221 CG1 ILE A 913 -8.916 1.637 -1.644 1.00 0.00 C ATOM 1222 CG2 ILE A 913 -7.763 1.662 0.565 1.00 0.00 C ATOM 1223 CD1 ILE A 913 -8.808 0.117 -1.730 1.00 0.00 C ATOM 0 H ILE A 913 -6.044 3.561 0.287 1.00 0.00 H new ATOM 0 HA ILE A 913 -7.601 4.082 -1.859 1.00 0.00 H new ATOM 0 HB ILE A 913 -6.799 1.868 -1.347 1.00 0.00 H new ATOM 0 HG12 ILE A 913 -9.847 1.919 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 913 -8.942 2.068 -2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 913 -7.717 0.573 0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 913 -6.912 2.055 1.120 1.00 0.00 H new ATOM 0 HG23 ILE A 913 -8.688 1.982 1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 913 -9.659 -0.277 -2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 913 -7.884 -0.154 -2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 913 -8.803 -0.305 -0.725 1.00 0.00 H new ATOM 1235 N ARG A 914 -9.417 4.172 0.900 1.00 0.00 N ATOM 1236 CA ARG A 914 -10.691 4.601 1.440 1.00 0.00 C ATOM 1237 C ARG A 914 -10.858 6.100 1.236 1.00 0.00 C ATOM 1238 O ARG A 914 -11.979 6.592 1.129 1.00 0.00 O ATOM 1239 CB ARG A 914 -10.758 4.247 2.923 1.00 0.00 C ATOM 1240 CG ARG A 914 -12.217 4.175 3.363 1.00 0.00 C ATOM 1241 CD ARG A 914 -12.636 5.517 3.959 1.00 0.00 C ATOM 1242 NE ARG A 914 -13.711 5.345 4.935 1.00 0.00 N ATOM 1243 CZ ARG A 914 -13.499 4.884 6.175 1.00 0.00 C ATOM 1244 NH1 ARG A 914 -12.259 4.558 6.566 1.00 0.00 N ATOM 1245 NH2 ARG A 914 -14.527 4.748 7.025 1.00 0.00 N ATOM 0 H ARG A 914 -8.746 3.861 1.603 1.00 0.00 H new ATOM 0 HA ARG A 914 -11.502 4.091 0.920 1.00 0.00 H new ATOM 0 HB2 ARG A 914 -10.265 3.291 3.102 1.00 0.00 H new ATOM 0 HB3 ARG A 914 -10.226 4.995 3.511 1.00 0.00 H new ATOM 0 HG2 ARG A 914 -12.853 3.928 2.513 1.00 0.00 H new ATOM 0 HG3 ARG A 914 -12.347 3.382 4.099 1.00 0.00 H new ATOM 0 HD2 ARG A 914 -11.778 5.990 4.437 1.00 0.00 H new ATOM 0 HD3 ARG A 914 -12.966 6.185 3.163 1.00 0.00 H new ATOM 0 HE ARG A 914 -14.663 5.586 4.660 1.00 0.00 H new ATOM 0 HH11 ARG A 914 -11.477 4.661 5.920 1.00 0.00 H new ATOM 0 HH12 ARG A 914 -12.098 4.207 7.510 1.00 0.00 H new ATOM 0 HH21 ARG A 914 -15.471 4.996 6.728 1.00 0.00 H new ATOM 0 HH22 ARG A 914 -14.365 4.397 7.969 1.00 0.00 H new ATOM 1259 N LYS A 915 -9.739 6.827 1.183 1.00 0.00 N ATOM 1260 CA LYS A 915 -9.770 8.263 0.992 1.00 0.00 C ATOM 1261 C LYS A 915 -9.718 8.589 -0.494 1.00 0.00 C ATOM 1262 O LYS A 915 -9.909 9.738 -0.887 1.00 0.00 O ATOM 1263 CB LYS A 915 -8.593 8.898 1.726 1.00 0.00 C ATOM 1264 CG LYS A 915 -8.894 8.949 3.221 1.00 0.00 C ATOM 1265 CD LYS A 915 -9.850 10.103 3.509 1.00 0.00 C ATOM 1266 CE LYS A 915 -10.409 9.961 4.922 1.00 0.00 C ATOM 1267 NZ LYS A 915 -9.626 10.753 5.882 1.00 0.00 N ATOM 0 H LYS A 915 -8.802 6.435 1.271 1.00 0.00 H new ATOM 0 HA LYS A 915 -10.697 8.667 1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 915 -7.685 8.322 1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 915 -8.413 9.904 1.346 1.00 0.00 H new ATOM 0 HG2 LYS A 915 -9.336 8.007 3.546 1.00 0.00 H new ATOM 0 HG3 LYS A 915 -7.970 9.079 3.785 1.00 0.00 H new ATOM 0 HD2 LYS A 915 -9.329 11.055 3.407 1.00 0.00 H new ATOM 0 HD3 LYS A 915 -10.663 10.105 2.783 1.00 0.00 H new ATOM 0 HE2 LYS A 915 -11.449 10.287 4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 915 -10.399 8.912 5.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 915 -10.027 10.639 6.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 915 -8.639 10.424 5.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 915 -9.657 11.757 5.611 1.00 0.00 H new ATOM 1281 N ARG A 916 -9.458 7.573 -1.320 1.00 0.00 N ATOM 1282 CA ARG A 916 -9.380 7.755 -2.756 1.00 0.00 C ATOM 1283 C ARG A 916 -8.183 8.630 -3.101 1.00 0.00 C ATOM 1284 O ARG A 916 -7.920 8.890 -4.272 1.00 0.00 O ATOM 1285 CB ARG A 916 -10.675 8.389 -3.257 1.00 0.00 C ATOM 1286 CG ARG A 916 -11.704 7.296 -3.530 1.00 0.00 C ATOM 1287 CD ARG A 916 -12.121 6.650 -2.212 1.00 0.00 C ATOM 1288 NE ARG A 916 -12.836 7.603 -1.363 1.00 0.00 N ATOM 1289 CZ ARG A 916 -13.780 7.230 -0.488 1.00 0.00 C ATOM 1290 NH1 ARG A 916 -14.103 5.935 -0.362 1.00 0.00 N ATOM 1291 NH2 ARG A 916 -14.401 8.151 0.262 1.00 0.00 N ATOM 0 H ARG A 916 -9.299 6.615 -1.009 1.00 0.00 H new ATOM 0 HA ARG A 916 -9.250 6.789 -3.243 1.00 0.00 H new ATOM 0 HB2 ARG A 916 -11.060 9.089 -2.516 1.00 0.00 H new ATOM 0 HB3 ARG A 916 -10.485 8.960 -4.166 1.00 0.00 H new ATOM 0 HG2 ARG A 916 -12.575 7.718 -4.032 1.00 0.00 H new ATOM 0 HG3 ARG A 916 -11.284 6.545 -4.199 1.00 0.00 H new ATOM 0 HD2 ARG A 916 -12.757 5.787 -2.411 1.00 0.00 H new ATOM 0 HD3 ARG A 916 -11.239 6.282 -1.688 1.00 0.00 H new ATOM 0 HE ARG A 916 -12.606 8.594 -1.440 1.00 0.00 H new ATOM 0 HH11 ARG A 916 -13.630 5.234 -0.932 1.00 0.00 H new ATOM 0 HH12 ARG A 916 -14.821 5.651 0.304 1.00 0.00 H new ATOM 0 HH21 ARG A 916 -14.155 9.136 0.167 1.00 0.00 H new ATOM 0 HH22 ARG A 916 -15.119 7.867 0.928 1.00 0.00 H new ATOM 1305 N ARG A 917 -7.458 9.083 -2.076 1.00 0.00 N ATOM 1306 CA ARG A 917 -6.296 9.925 -2.274 1.00 0.00 C ATOM 1307 C ARG A 917 -5.244 9.608 -1.221 1.00 0.00 C ATOM 1308 O ARG A 917 -5.491 9.764 -0.027 1.00 0.00 O ATOM 1309 CB ARG A 917 -6.712 11.391 -2.198 1.00 0.00 C ATOM 1310 CG ARG A 917 -8.064 11.501 -1.500 1.00 0.00 C ATOM 1311 CD ARG A 917 -9.180 11.444 -2.539 1.00 0.00 C ATOM 1312 NE ARG A 917 -10.436 11.956 -1.990 1.00 0.00 N ATOM 1313 CZ ARG A 917 -11.598 11.888 -2.653 1.00 0.00 C ATOM 1314 NH1 ARG A 917 -11.644 11.332 -3.871 1.00 0.00 N ATOM 1315 NH2 ARG A 917 -12.716 12.376 -2.097 1.00 0.00 N ATOM 0 H ARG A 917 -7.664 8.875 -1.099 1.00 0.00 H new ATOM 0 HA ARG A 917 -5.867 9.733 -3.257 1.00 0.00 H new ATOM 0 HB2 ARG A 917 -5.962 11.965 -1.654 1.00 0.00 H new ATOM 0 HB3 ARG A 917 -6.773 11.815 -3.200 1.00 0.00 H new ATOM 0 HG2 ARG A 917 -8.181 10.690 -0.781 1.00 0.00 H new ATOM 0 HG3 ARG A 917 -8.121 12.435 -0.940 1.00 0.00 H new ATOM 0 HD2 ARG A 917 -8.897 12.029 -3.414 1.00 0.00 H new ATOM 0 HD3 ARG A 917 -9.318 10.416 -2.873 1.00 0.00 H new ATOM 0 HE ARG A 917 -10.426 12.383 -1.064 1.00 0.00 H new ATOM 0 HH11 ARG A 917 -10.794 10.960 -4.294 1.00 0.00 H new ATOM 0 HH12 ARG A 917 -12.529 11.281 -4.375 1.00 0.00 H new ATOM 0 HH21 ARG A 917 -12.682 12.799 -1.169 1.00 0.00 H new ATOM 0 HH22 ARG A 917 -13.601 12.324 -2.602 1.00 0.00 H new ATOM 1329 N LEU A 918 -4.066 9.162 -1.665 1.00 0.00 N ATOM 1330 CA LEU A 918 -2.984 8.827 -0.762 1.00 0.00 C ATOM 1331 C LEU A 918 -2.995 9.773 0.431 1.00 0.00 C ATOM 1332 O LEU A 918 -2.948 10.989 0.261 1.00 0.00 O ATOM 1333 CB LEU A 918 -1.655 8.911 -1.507 1.00 0.00 C ATOM 1334 CG LEU A 918 -1.429 7.621 -2.290 1.00 0.00 C ATOM 1335 CD1 LEU A 918 -2.522 6.615 -1.942 1.00 0.00 C ATOM 1336 CD2 LEU A 918 -1.469 7.920 -3.786 1.00 0.00 C ATOM 0 H LEU A 918 -3.846 9.027 -2.652 1.00 0.00 H new ATOM 0 HA LEU A 918 -3.115 7.809 -0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 918 -1.659 9.765 -2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 918 -0.839 9.068 -0.801 1.00 0.00 H new ATOM 0 HG LEU A 918 -0.456 7.204 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 918 -2.360 5.694 -2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 918 -2.492 6.401 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 918 -3.495 7.031 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 918 -1.308 6.999 -4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 918 -2.441 8.338 -4.048 1.00 0.00 H new ATOM 0 HD23 LEU A 918 -0.687 8.637 -4.035 1.00 0.00 H new ATOM 1348 N VAL A 919 -3.057 9.211 1.640 1.00 0.00 N ATOM 1349 CA VAL A 919 -3.073 10.004 2.852 1.00 0.00 C ATOM 1350 C VAL A 919 -1.665 10.100 3.423 1.00 0.00 C ATOM 1351 O VAL A 919 -0.696 9.750 2.754 1.00 0.00 O ATOM 1352 CB VAL A 919 -4.024 9.369 3.862 1.00 0.00 C ATOM 1353 CG1 VAL A 919 -5.153 8.658 3.121 1.00 0.00 C ATOM 1354 CG2 VAL A 919 -3.261 8.359 4.715 1.00 0.00 C ATOM 0 H VAL A 919 -3.097 8.204 1.797 1.00 0.00 H new ATOM 0 HA VAL A 919 -3.423 11.012 2.628 1.00 0.00 H new ATOM 0 HB VAL A 919 -4.442 10.145 4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 919 -5.833 8.204 3.842 1.00 0.00 H new ATOM 0 HG12 VAL A 919 -5.699 9.379 2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 919 -4.735 7.883 2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 919 -3.940 7.905 5.437 1.00 0.00 H new ATOM 0 HG22 VAL A 919 -2.842 7.584 4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 919 -2.455 8.866 5.245 1.00 0.00 H new ATOM 1364 N ALA A 920 -1.555 10.576 4.666 1.00 0.00 N ATOM 1365 CA ALA A 920 -0.269 10.717 5.319 1.00 0.00 C ATOM 1366 C ALA A 920 0.319 9.341 5.599 1.00 0.00 C ATOM 1367 O ALA A 920 -0.218 8.587 6.408 1.00 0.00 O ATOM 1368 CB ALA A 920 -0.441 11.505 6.614 1.00 0.00 C ATOM 0 H ALA A 920 -2.349 10.869 5.235 1.00 0.00 H new ATOM 0 HA ALA A 920 0.417 11.259 4.668 1.00 0.00 H new ATOM 0 HB1 ALA A 920 0.526 11.612 7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 920 -0.844 12.492 6.388 1.00 0.00 H new ATOM 0 HB3 ALA A 920 -1.128 10.975 7.274 1.00 0.00 H new ATOM 1374 N PRO A 921 1.426 9.016 4.928 1.00 0.00 N ATOM 1375 CA PRO A 921 2.123 7.755 5.067 1.00 0.00 C ATOM 1376 C PRO A 921 2.840 7.712 6.409 1.00 0.00 C ATOM 1377 O PRO A 921 3.546 8.652 6.768 1.00 0.00 O ATOM 1378 CB PRO A 921 3.122 7.731 3.912 1.00 0.00 C ATOM 1379 CG PRO A 921 3.432 9.213 3.702 1.00 0.00 C ATOM 1380 CD PRO A 921 2.084 9.878 3.970 1.00 0.00 C ATOM 0 HA PRO A 921 1.454 6.895 5.036 1.00 0.00 H new ATOM 0 HB2 PRO A 921 4.017 7.162 4.163 1.00 0.00 H new ATOM 0 HB3 PRO A 921 2.696 7.276 3.018 1.00 0.00 H new ATOM 0 HG2 PRO A 921 4.202 9.567 4.388 1.00 0.00 H new ATOM 0 HG3 PRO A 921 3.789 9.413 2.692 1.00 0.00 H new ATOM 0 HD2 PRO A 921 2.213 10.885 4.368 1.00 0.00 H new ATOM 0 HD3 PRO A 921 1.500 9.969 3.054 1.00 0.00 H new ATOM 1388 N CYS A 922 2.654 6.618 7.150 1.00 0.00 N ATOM 1389 CA CYS A 922 3.279 6.454 8.448 1.00 0.00 C ATOM 1390 C CYS A 922 4.641 7.132 8.447 1.00 0.00 C ATOM 1391 O CYS A 922 5.131 7.543 9.497 1.00 0.00 O ATOM 1392 CB CYS A 922 3.414 4.966 8.762 1.00 0.00 C ATOM 1393 SG CYS A 922 4.666 4.757 10.052 1.00 0.00 S ATOM 0 H CYS A 922 2.070 5.832 6.864 1.00 0.00 H new ATOM 0 HA CYS A 922 2.663 6.918 9.218 1.00 0.00 H new ATOM 0 HB2 CYS A 922 2.458 4.562 9.094 1.00 0.00 H new ATOM 0 HB3 CYS A 922 3.699 4.415 7.866 1.00 0.00 H new ATOM 0 HG CYS A 922 5.121 5.922 10.408 1.00 0.00 H new TER 1399 CYS A 922