USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, 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 NoAdj-H: A 890 HIS H : A 890 HIS N : A 855 ARG O :(H bumps) USER MOD Single : A 836 SER OG : rot 144:sc= 0.186! USER MOD Single : A 840 THR OG1 : rot 73:sc= 0.578 USER MOD Single : A 842 CYS SG : rot 11:sc= 0.873 USER MOD Single : A 843 GLN : amide:sc= -0.401 K(o=-0.4,f=-2.6!) USER MOD Single : A 844 THR OG1 : rot 180:sc= 0 USER MOD Single : A 845 LYS NZ :NH3+ 164:sc= -19.3! (180deg=-21.1!) USER MOD Single : A 852 THR OG1 : rot 180:sc= 0 USER MOD Single : A 857 TYR OH : rot 180:sc= -0.273 USER MOD Single : A 861 SER OG : rot 180:sc= 0 USER MOD Single : A 862 THR OG1 : rot -89:sc= -2.52! USER MOD Single : A 866 SER OG : rot 180:sc= 0 USER MOD Single : A 871 TYR OH : rot 111:sc= -34.8! USER MOD Single : A 881 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 885 MET CE :methyl 141:sc= -17.1! (180deg=-25.5!) USER MOD Single : A 886 THR OG1 : rot 180:sc= -0.549 USER MOD Single : A 887 SER OG : rot 180:sc= 0 USER MOD Single : A 889 THR OG1 : rot -160:sc= -0.796 USER MOD Single : A 890 HIS : no HD1:sc= -18.5! C(o=-19!,f=-22!) USER MOD Single : A 894 SER OG : rot 180:sc= -0.0035 USER MOD Single : A 897 LYS NZ :NH3+ 151:sc= -18.7! (180deg=-19.5!) USER MOD Single : A 898 ASN : amide:sc= -26.7! C(o=-27!,f=-33!) USER MOD Single : A 902 GLN : amide:sc= -2.48! C(o=-2.5!,f=-0.91!) USER MOD Single : A 903 GLN : amide:sc= -13.7! C(o=-14!,f=-15!) USER MOD Single : A 905 SER OG : rot 163:sc= -1.35! USER MOD Single : A 912 CYS SG : rot 178:sc= -13.6! USER MOD Single : A 915 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 922 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 835 -13.084 -1.891 12.368 1.00 0.00 N ATOM 2 CA GLY A 835 -13.049 -2.643 11.130 1.00 0.00 C ATOM 3 C GLY A 835 -12.709 -1.725 9.964 1.00 0.00 C ATOM 4 O GLY A 835 -13.464 -0.806 9.654 1.00 0.00 O ATOM 0 HA2 GLY A 835 -12.309 -3.440 11.202 1.00 0.00 H new ATOM 0 HA3 GLY A 835 -14.015 -3.118 10.958 1.00 0.00 H new ATOM 8 N SER A 836 -11.569 -1.977 9.317 1.00 0.00 N ATOM 9 CA SER A 836 -11.137 -1.174 8.190 1.00 0.00 C ATOM 10 C SER A 836 -11.264 -1.978 6.904 1.00 0.00 C ATOM 11 O SER A 836 -12.225 -1.811 6.157 1.00 0.00 O ATOM 12 CB SER A 836 -9.695 -0.727 8.409 1.00 0.00 C ATOM 13 OG SER A 836 -8.851 -1.856 8.429 1.00 0.00 O ATOM 0 H SER A 836 -10.932 -2.735 9.562 1.00 0.00 H new ATOM 0 HA SER A 836 -11.769 -0.290 8.105 1.00 0.00 H new ATOM 0 HB2 SER A 836 -9.390 -0.045 7.615 1.00 0.00 H new ATOM 0 HB3 SER A 836 -9.611 -0.180 9.348 1.00 0.00 H new ATOM 0 HG SER A 836 -7.998 -1.635 8.000 1.00 0.00 H new ATOM 19 N ALA A 837 -10.289 -2.854 6.648 1.00 0.00 N ATOM 20 CA ALA A 837 -10.295 -3.678 5.456 1.00 0.00 C ATOM 21 C ALA A 837 -11.675 -4.289 5.260 1.00 0.00 C ATOM 22 O ALA A 837 -12.316 -4.064 4.235 1.00 0.00 O ATOM 23 CB ALA A 837 -9.235 -4.768 5.587 1.00 0.00 C ATOM 0 H ALA A 837 -9.486 -3.005 7.259 1.00 0.00 H new ATOM 0 HA ALA A 837 -10.062 -3.066 4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -9.239 -5.389 4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -8.254 -4.309 5.706 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -9.455 -5.386 6.457 1.00 0.00 H new ATOM 29 N ASP A 838 -12.133 -5.065 6.246 1.00 0.00 N ATOM 30 CA ASP A 838 -13.432 -5.704 6.175 1.00 0.00 C ATOM 31 C ASP A 838 -14.500 -4.666 5.863 1.00 0.00 C ATOM 32 O ASP A 838 -15.582 -5.009 5.392 1.00 0.00 O ATOM 33 CB ASP A 838 -13.726 -6.402 7.500 1.00 0.00 C ATOM 34 CG ASP A 838 -13.412 -7.888 7.413 1.00 0.00 C ATOM 35 OD1 ASP A 838 -13.153 -8.349 6.280 1.00 0.00 O ATOM 36 OD2 ASP A 838 -13.435 -8.537 8.481 1.00 0.00 O ATOM 0 H ASP A 838 -11.615 -5.261 7.102 1.00 0.00 H new ATOM 0 HA ASP A 838 -13.434 -6.448 5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -13.134 -5.947 8.294 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -14.774 -6.263 7.764 1.00 0.00 H new ATOM 41 N GLU A 839 -14.195 -3.393 6.126 1.00 0.00 N ATOM 42 CA GLU A 839 -15.130 -2.317 5.870 1.00 0.00 C ATOM 43 C GLU A 839 -14.739 -1.580 4.596 1.00 0.00 C ATOM 44 O GLU A 839 -15.459 -0.693 4.143 1.00 0.00 O ATOM 45 CB GLU A 839 -15.146 -1.364 7.062 1.00 0.00 C ATOM 46 CG GLU A 839 -16.289 -1.742 8.000 1.00 0.00 C ATOM 47 CD GLU A 839 -17.262 -0.584 8.166 1.00 0.00 C ATOM 48 OE1 GLU A 839 -17.031 0.223 9.092 1.00 0.00 O ATOM 49 OE2 GLU A 839 -18.218 -0.527 7.363 1.00 0.00 O ATOM 0 H GLU A 839 -13.303 -3.091 6.517 1.00 0.00 H new ATOM 0 HA GLU A 839 -16.131 -2.727 5.734 1.00 0.00 H new ATOM 0 HB2 GLU A 839 -14.195 -1.412 7.592 1.00 0.00 H new ATOM 0 HB3 GLU A 839 -15.268 -0.337 6.718 1.00 0.00 H new ATOM 0 HG2 GLU A 839 -16.816 -2.611 7.606 1.00 0.00 H new ATOM 0 HG3 GLU A 839 -15.887 -2.027 8.972 1.00 0.00 H new ATOM 56 N THR A 840 -13.595 -1.951 4.018 1.00 0.00 N ATOM 57 CA THR A 840 -13.119 -1.325 2.801 1.00 0.00 C ATOM 58 C THR A 840 -12.917 -2.377 1.720 1.00 0.00 C ATOM 59 O THR A 840 -13.738 -2.507 0.815 1.00 0.00 O ATOM 60 CB THR A 840 -11.814 -0.587 3.087 1.00 0.00 C ATOM 61 OG1 THR A 840 -12.002 0.297 4.169 1.00 0.00 O ATOM 62 CG2 THR A 840 -11.396 0.205 1.851 1.00 0.00 C ATOM 0 H THR A 840 -12.986 -2.684 4.381 1.00 0.00 H new ATOM 0 HA THR A 840 -13.858 -0.607 2.445 1.00 0.00 H new ATOM 0 HB THR A 840 -11.036 -1.308 3.337 1.00 0.00 H new ATOM 0 HG1 THR A 840 -12.061 -0.214 5.003 1.00 0.00 H new ATOM 0 HG21 THR A 840 -10.464 0.732 2.055 1.00 0.00 H new ATOM 0 HG22 THR A 840 -11.251 -0.477 1.013 1.00 0.00 H new ATOM 0 HG23 THR A 840 -12.174 0.926 1.601 1.00 0.00 H new ATOM 70 N LEU A 841 -11.819 -3.130 1.817 1.00 0.00 N ATOM 71 CA LEU A 841 -11.514 -4.166 0.850 1.00 0.00 C ATOM 72 C LEU A 841 -12.598 -5.234 0.879 1.00 0.00 C ATOM 73 O LEU A 841 -12.531 -6.211 0.135 1.00 0.00 O ATOM 74 CB LEU A 841 -10.150 -4.772 1.168 1.00 0.00 C ATOM 75 CG LEU A 841 -9.917 -5.992 0.282 1.00 0.00 C ATOM 76 CD1 LEU A 841 -10.303 -7.257 1.044 1.00 0.00 C ATOM 77 CD2 LEU A 841 -10.771 -5.876 -0.978 1.00 0.00 C ATOM 0 H LEU A 841 -11.129 -3.034 2.562 1.00 0.00 H new ATOM 0 HA LEU A 841 -11.482 -3.736 -0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 841 -9.365 -4.034 1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 841 -10.103 -5.058 2.219 1.00 0.00 H new ATOM 0 HG LEU A 841 -8.864 -6.043 0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 841 -10.136 -8.128 0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 841 -9.693 -7.340 1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 841 -11.356 -7.207 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 841 -10.605 -6.747 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 841 -11.824 -5.824 -0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 841 -10.495 -4.973 -1.523 1.00 0.00 H new ATOM 89 N CYS A 842 -13.600 -5.045 1.741 1.00 0.00 N ATOM 90 CA CYS A 842 -14.695 -5.986 1.865 1.00 0.00 C ATOM 91 C CYS A 842 -15.459 -6.056 0.550 1.00 0.00 C ATOM 92 O CYS A 842 -16.275 -6.954 0.353 1.00 0.00 O ATOM 93 CB CYS A 842 -15.613 -5.550 3.003 1.00 0.00 C ATOM 94 SG CYS A 842 -17.293 -6.125 2.648 1.00 0.00 S ATOM 0 H CYS A 842 -13.667 -4.240 2.364 1.00 0.00 H new ATOM 0 HA CYS A 842 -14.307 -6.979 2.092 1.00 0.00 H new ATOM 0 HB2 CYS A 842 -15.264 -5.964 3.949 1.00 0.00 H new ATOM 0 HB3 CYS A 842 -15.599 -4.465 3.105 1.00 0.00 H new ATOM 0 HG CYS A 842 -17.267 -6.948 1.642 1.00 0.00 H new ATOM 100 N GLN A 843 -15.194 -5.107 -0.350 1.00 0.00 N ATOM 101 CA GLN A 843 -15.858 -5.067 -1.637 1.00 0.00 C ATOM 102 C GLN A 843 -15.003 -5.770 -2.682 1.00 0.00 C ATOM 103 O GLN A 843 -14.563 -5.149 -3.647 1.00 0.00 O ATOM 104 CB GLN A 843 -16.111 -3.615 -2.033 1.00 0.00 C ATOM 105 CG GLN A 843 -16.466 -2.803 -0.791 1.00 0.00 C ATOM 106 CD GLN A 843 -17.949 -2.461 -0.772 1.00 0.00 C ATOM 107 OE1 GLN A 843 -18.594 -2.428 -1.817 1.00 0.00 O ATOM 108 NE2 GLN A 843 -18.489 -2.207 0.423 1.00 0.00 N ATOM 0 H GLN A 843 -14.520 -4.356 -0.202 1.00 0.00 H new ATOM 0 HA GLN A 843 -16.815 -5.585 -1.572 1.00 0.00 H new ATOM 0 HB2 GLN A 843 -15.225 -3.198 -2.512 1.00 0.00 H new ATOM 0 HB3 GLN A 843 -16.922 -3.561 -2.760 1.00 0.00 H new ATOM 0 HG2 GLN A 843 -16.207 -3.368 0.104 1.00 0.00 H new ATOM 0 HG3 GLN A 843 -15.877 -1.886 -0.770 1.00 0.00 H new ATOM 0 HE21 GLN A 843 -17.911 -2.247 1.263 1.00 0.00 H new ATOM 0 HE22 GLN A 843 -19.479 -1.973 0.496 1.00 0.00 H new ATOM 117 N THR A 844 -14.768 -7.070 -2.488 1.00 0.00 N ATOM 118 CA THR A 844 -13.969 -7.845 -3.415 1.00 0.00 C ATOM 119 C THR A 844 -12.530 -7.350 -3.400 1.00 0.00 C ATOM 120 O THR A 844 -11.614 -8.105 -3.081 1.00 0.00 O ATOM 121 CB THR A 844 -14.565 -7.733 -4.816 1.00 0.00 C ATOM 122 OG1 THR A 844 -14.741 -9.024 -5.356 1.00 0.00 O ATOM 123 CG2 THR A 844 -13.620 -6.933 -5.708 1.00 0.00 C ATOM 0 H THR A 844 -15.124 -7.601 -1.693 1.00 0.00 H new ATOM 0 HA THR A 844 -13.973 -8.893 -3.114 1.00 0.00 H new ATOM 0 HB THR A 844 -15.529 -7.227 -4.762 1.00 0.00 H new ATOM 0 HG1 THR A 844 -15.125 -8.953 -6.255 1.00 0.00 H new ATOM 0 HG21 THR A 844 -14.045 -6.853 -6.709 1.00 0.00 H new ATOM 0 HG22 THR A 844 -13.483 -5.935 -5.291 1.00 0.00 H new ATOM 0 HG23 THR A 844 -12.656 -7.439 -5.763 1.00 0.00 H new ATOM 131 N LYS A 845 -12.333 -6.076 -3.747 1.00 0.00 N ATOM 132 CA LYS A 845 -11.009 -5.488 -3.771 1.00 0.00 C ATOM 133 C LYS A 845 -11.117 -3.970 -3.799 1.00 0.00 C ATOM 134 O LYS A 845 -10.124 -3.271 -3.607 1.00 0.00 O ATOM 135 CB LYS A 845 -10.249 -5.998 -4.992 1.00 0.00 C ATOM 136 CG LYS A 845 -8.969 -6.694 -4.540 1.00 0.00 C ATOM 137 CD LYS A 845 -9.276 -7.607 -3.356 1.00 0.00 C ATOM 138 CE LYS A 845 -8.311 -7.302 -2.214 1.00 0.00 C ATOM 139 NZ LYS A 845 -7.036 -8.012 -2.397 1.00 0.00 N ATOM 0 H LYS A 845 -13.082 -5.437 -4.015 1.00 0.00 H new ATOM 0 HA LYS A 845 -10.464 -5.776 -2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 845 -10.872 -6.691 -5.558 1.00 0.00 H new ATOM 0 HB3 LYS A 845 -10.009 -5.168 -5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 845 -8.549 -7.275 -5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 845 -8.220 -5.954 -4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 845 -10.304 -7.459 -3.026 1.00 0.00 H new ATOM 0 HD3 LYS A 845 -9.184 -8.651 -3.655 1.00 0.00 H new ATOM 0 HE2 LYS A 845 -8.129 -6.228 -2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 845 -8.761 -7.594 -1.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 -6.313 -7.592 -1.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 -7.160 -9.016 -2.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 -6.733 -7.931 -3.388 1.00 0.00 H new ATOM 153 N VAL A 846 -12.327 -3.461 -4.039 1.00 0.00 N ATOM 154 CA VAL A 846 -12.560 -2.031 -4.091 1.00 0.00 C ATOM 155 C VAL A 846 -11.373 -1.341 -4.748 1.00 0.00 C ATOM 156 O VAL A 846 -11.532 -0.654 -5.755 1.00 0.00 O ATOM 157 CB VAL A 846 -12.779 -1.501 -2.677 1.00 0.00 C ATOM 158 CG1 VAL A 846 -13.156 -2.655 -1.753 1.00 0.00 C ATOM 159 CG2 VAL A 846 -11.496 -0.845 -2.175 1.00 0.00 C ATOM 0 H VAL A 846 -13.160 -4.028 -4.200 1.00 0.00 H new ATOM 0 HA VAL A 846 -13.451 -1.824 -4.684 1.00 0.00 H new ATOM 0 HB VAL A 846 -13.584 -0.766 -2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -13.312 -2.276 -0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -14.073 -3.123 -2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -12.352 -3.391 -1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -11.652 -0.466 -1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -10.691 -1.580 -2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -11.227 -0.020 -2.834 1.00 0.00 H new ATOM 169 N LEU A 847 -10.181 -1.525 -4.176 1.00 0.00 N ATOM 170 CA LEU A 847 -8.976 -0.921 -4.708 1.00 0.00 C ATOM 171 C LEU A 847 -9.117 0.595 -4.713 1.00 0.00 C ATOM 172 O LEU A 847 -8.618 1.270 -3.815 1.00 0.00 O ATOM 173 CB LEU A 847 -8.725 -1.445 -6.119 1.00 0.00 C ATOM 174 CG LEU A 847 -9.049 -2.935 -6.173 1.00 0.00 C ATOM 175 CD1 LEU A 847 -8.252 -3.669 -5.099 1.00 0.00 C ATOM 176 CD2 LEU A 847 -10.542 -3.140 -5.929 1.00 0.00 C ATOM 0 H LEU A 847 -10.033 -2.092 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 847 -8.125 -1.185 -4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 847 -9.341 -0.902 -6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 847 -7.686 -1.277 -6.401 1.00 0.00 H new ATOM 0 HG LEU A 847 -8.784 -3.329 -7.154 1.00 0.00 H new ATOM 0 HD11 LEU A 847 -8.484 -4.733 -5.138 1.00 0.00 H new ATOM 0 HD12 LEU A 847 -7.186 -3.523 -5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 847 -8.516 -3.276 -4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 847 -10.774 -4.204 -5.967 1.00 0.00 H new ATOM 0 HD22 LEU A 847 -10.808 -2.746 -4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 847 -11.111 -2.616 -6.697 1.00 0.00 H new ATOM 188 N LEU A 848 -9.799 1.129 -5.729 1.00 0.00 N ATOM 189 CA LEU A 848 -10.002 2.559 -5.846 1.00 0.00 C ATOM 190 C LEU A 848 -8.689 3.240 -6.207 1.00 0.00 C ATOM 191 O LEU A 848 -7.624 2.636 -6.100 1.00 0.00 O ATOM 192 CB LEU A 848 -10.549 3.104 -4.530 1.00 0.00 C ATOM 193 CG LEU A 848 -12.075 3.085 -4.566 1.00 0.00 C ATOM 194 CD1 LEU A 848 -12.621 3.351 -3.167 1.00 0.00 C ATOM 195 CD2 LEU A 848 -12.574 4.165 -5.522 1.00 0.00 C ATOM 0 H LEU A 848 -10.218 0.582 -6.481 1.00 0.00 H new ATOM 0 HA LEU A 848 -10.723 2.763 -6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 848 -10.187 2.502 -3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 848 -10.191 4.121 -4.368 1.00 0.00 H new ATOM 0 HG LEU A 848 -12.418 2.109 -4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 848 -13.711 3.337 -3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 848 -12.265 2.579 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 848 -12.278 4.327 -2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 848 -13.664 4.152 -5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 848 -12.231 5.141 -5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 848 -12.185 3.974 -6.522 1.00 0.00 H new ATOM 207 N ASP A 849 -8.767 4.502 -6.635 1.00 0.00 N ATOM 208 CA ASP A 849 -7.588 5.256 -7.009 1.00 0.00 C ATOM 209 C ASP A 849 -6.899 5.787 -5.761 1.00 0.00 C ATOM 210 O ASP A 849 -6.695 6.991 -5.626 1.00 0.00 O ATOM 211 CB ASP A 849 -7.991 6.402 -7.933 1.00 0.00 C ATOM 212 CG ASP A 849 -9.179 7.166 -7.367 1.00 0.00 C ATOM 213 OD1 ASP A 849 -9.217 7.318 -6.126 1.00 0.00 O ATOM 214 OD2 ASP A 849 -10.028 7.584 -8.184 1.00 0.00 O ATOM 0 H ASP A 849 -9.642 5.017 -6.728 1.00 0.00 H new ATOM 0 HA ASP A 849 -6.889 4.608 -7.538 1.00 0.00 H new ATOM 0 HB2 ASP A 849 -7.148 7.080 -8.066 1.00 0.00 H new ATOM 0 HB3 ASP A 849 -8.243 6.009 -8.918 1.00 0.00 H new ATOM 219 N ILE A 850 -6.539 4.884 -4.846 1.00 0.00 N ATOM 220 CA ILE A 850 -5.874 5.262 -3.615 1.00 0.00 C ATOM 221 C ILE A 850 -4.396 5.509 -3.883 1.00 0.00 C ATOM 222 O ILE A 850 -4.021 6.576 -4.365 1.00 0.00 O ATOM 223 CB ILE A 850 -6.060 4.159 -2.577 1.00 0.00 C ATOM 224 CG1 ILE A 850 -7.214 3.254 -2.997 1.00 0.00 C ATOM 225 CG2 ILE A 850 -6.371 4.784 -1.220 1.00 0.00 C ATOM 226 CD1 ILE A 850 -8.539 3.971 -2.750 1.00 0.00 C ATOM 0 H ILE A 850 -6.702 3.882 -4.944 1.00 0.00 H new ATOM 0 HA ILE A 850 -6.311 6.182 -3.228 1.00 0.00 H new ATOM 0 HB ILE A 850 -5.145 3.571 -2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 850 -7.120 2.993 -4.051 1.00 0.00 H new ATOM 0 HG13 ILE A 850 -7.182 2.321 -2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 850 -6.504 3.996 -0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 850 -5.546 5.430 -0.919 1.00 0.00 H new ATOM 0 HG23 ILE A 850 -7.285 5.373 -1.292 1.00 0.00 H new ATOM 0 HD11 ILE A 850 -9.364 3.325 -3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 850 -8.632 4.209 -1.690 1.00 0.00 H new ATOM 0 HD13 ILE A 850 -8.569 4.892 -3.333 1.00 0.00 H new ATOM 238 N PHE A 851 -3.557 4.520 -3.570 1.00 0.00 N ATOM 239 CA PHE A 851 -2.128 4.637 -3.779 1.00 0.00 C ATOM 240 C PHE A 851 -1.848 5.040 -5.220 1.00 0.00 C ATOM 241 O PHE A 851 -0.827 4.657 -5.787 1.00 0.00 O ATOM 242 CB PHE A 851 -1.456 3.307 -3.449 1.00 0.00 C ATOM 243 CG PHE A 851 -2.081 2.591 -2.276 1.00 0.00 C ATOM 244 CD1 PHE A 851 -1.955 3.118 -0.986 1.00 0.00 C ATOM 245 CD2 PHE A 851 -2.789 1.400 -2.480 1.00 0.00 C ATOM 246 CE1 PHE A 851 -2.537 2.454 0.101 1.00 0.00 C ATOM 247 CE2 PHE A 851 -3.371 0.737 -1.393 1.00 0.00 C ATOM 248 CZ PHE A 851 -3.245 1.264 -0.102 1.00 0.00 C ATOM 0 H PHE A 851 -3.852 3.629 -3.170 1.00 0.00 H new ATOM 0 HA PHE A 851 -1.723 5.407 -3.123 1.00 0.00 H new ATOM 0 HB2 PHE A 851 -1.500 2.660 -4.325 1.00 0.00 H new ATOM 0 HB3 PHE A 851 -0.402 3.485 -3.236 1.00 0.00 H new ATOM 0 HD1 PHE A 851 -1.409 4.037 -0.829 1.00 0.00 H new ATOM 0 HD2 PHE A 851 -2.886 0.993 -3.476 1.00 0.00 H new ATOM 0 HE1 PHE A 851 -2.439 2.861 1.097 1.00 0.00 H new ATOM 0 HE2 PHE A 851 -3.917 -0.181 -1.550 1.00 0.00 H new ATOM 0 HZ PHE A 851 -3.694 0.753 0.737 1.00 0.00 H new ATOM 258 N THR A 852 -2.759 5.816 -5.813 1.00 0.00 N ATOM 259 CA THR A 852 -2.601 6.264 -7.182 1.00 0.00 C ATOM 260 C THR A 852 -1.145 6.618 -7.448 1.00 0.00 C ATOM 261 O THR A 852 -0.667 7.663 -7.012 1.00 0.00 O ATOM 262 CB THR A 852 -3.504 7.470 -7.428 1.00 0.00 C ATOM 263 OG1 THR A 852 -4.096 7.361 -8.703 1.00 0.00 O ATOM 264 CG2 THR A 852 -2.674 8.749 -7.359 1.00 0.00 C ATOM 0 H THR A 852 -3.612 6.143 -5.358 1.00 0.00 H new ATOM 0 HA THR A 852 -2.888 5.464 -7.865 1.00 0.00 H new ATOM 0 HB THR A 852 -4.284 7.502 -6.667 1.00 0.00 H new ATOM 0 HG1 THR A 852 -4.677 8.134 -8.861 1.00 0.00 H new ATOM 0 HG21 THR A 852 -3.318 9.611 -7.535 1.00 0.00 H new ATOM 0 HG22 THR A 852 -2.216 8.833 -6.373 1.00 0.00 H new ATOM 0 HG23 THR A 852 -1.894 8.718 -8.120 1.00 0.00 H new ATOM 272 N GLY A 853 -0.438 5.743 -8.167 1.00 0.00 N ATOM 273 CA GLY A 853 0.957 5.970 -8.485 1.00 0.00 C ATOM 274 C GLY A 853 1.806 5.885 -7.224 1.00 0.00 C ATOM 275 O GLY A 853 2.965 6.294 -7.224 1.00 0.00 O ATOM 0 H GLY A 853 -0.818 4.871 -8.537 1.00 0.00 H new ATOM 0 HA2 GLY A 853 1.297 5.231 -9.211 1.00 0.00 H new ATOM 0 HA3 GLY A 853 1.077 6.950 -8.947 1.00 0.00 H new ATOM 279 N VAL A 854 1.225 5.351 -6.147 1.00 0.00 N ATOM 280 CA VAL A 854 1.927 5.215 -4.887 1.00 0.00 C ATOM 281 C VAL A 854 2.625 3.864 -4.830 1.00 0.00 C ATOM 282 O VAL A 854 1.982 2.840 -4.611 1.00 0.00 O ATOM 283 CB VAL A 854 0.937 5.362 -3.735 1.00 0.00 C ATOM 284 CG1 VAL A 854 1.521 4.724 -2.478 1.00 0.00 C ATOM 285 CG2 VAL A 854 0.672 6.843 -3.478 1.00 0.00 C ATOM 0 H VAL A 854 0.265 5.007 -6.132 1.00 0.00 H new ATOM 0 HA VAL A 854 2.682 5.996 -4.800 1.00 0.00 H new ATOM 0 HB VAL A 854 0.002 4.865 -3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 854 0.814 4.829 -1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 854 1.711 3.666 -2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 854 2.456 5.221 -2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -0.035 6.949 -2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 854 1.607 7.340 -3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 854 0.255 7.299 -4.376 1.00 0.00 H new ATOM 295 N ARG A 855 3.945 3.864 -5.029 1.00 0.00 N ATOM 296 CA ARG A 855 4.722 2.641 -5.000 1.00 0.00 C ATOM 297 C ARG A 855 5.263 2.406 -3.596 1.00 0.00 C ATOM 298 O ARG A 855 6.363 2.847 -3.271 1.00 0.00 O ATOM 299 CB ARG A 855 5.864 2.741 -6.008 1.00 0.00 C ATOM 300 CG ARG A 855 7.033 3.495 -5.380 1.00 0.00 C ATOM 301 CD ARG A 855 7.972 3.984 -6.479 1.00 0.00 C ATOM 302 NE ARG A 855 7.235 4.705 -7.517 1.00 0.00 N ATOM 303 CZ ARG A 855 7.817 5.588 -8.340 1.00 0.00 C ATOM 304 NH1 ARG A 855 9.129 5.841 -8.232 1.00 0.00 N ATOM 305 NH2 ARG A 855 7.088 6.218 -9.271 1.00 0.00 N ATOM 0 H ARG A 855 4.492 4.705 -5.212 1.00 0.00 H new ATOM 0 HA ARG A 855 4.088 1.797 -5.270 1.00 0.00 H new ATOM 0 HB2 ARG A 855 6.182 1.744 -6.313 1.00 0.00 H new ATOM 0 HB3 ARG A 855 5.526 3.257 -6.907 1.00 0.00 H new ATOM 0 HG2 ARG A 855 6.664 4.340 -4.799 1.00 0.00 H new ATOM 0 HG3 ARG A 855 7.571 2.845 -4.690 1.00 0.00 H new ATOM 0 HD2 ARG A 855 8.732 4.636 -6.049 1.00 0.00 H new ATOM 0 HD3 ARG A 855 8.493 3.135 -6.921 1.00 0.00 H new ATOM 0 HE ARG A 855 6.236 4.528 -7.619 1.00 0.00 H new ATOM 0 HH11 ARG A 855 9.684 5.361 -7.523 1.00 0.00 H new ATOM 0 HH12 ARG A 855 9.572 6.513 -8.858 1.00 0.00 H new ATOM 0 HH21 ARG A 855 6.090 6.026 -9.353 1.00 0.00 H new ATOM 0 HH22 ARG A 855 7.531 6.890 -9.897 1.00 0.00 H new ATOM 319 N LEU A 856 4.485 1.709 -2.764 1.00 0.00 N ATOM 320 CA LEU A 856 4.888 1.420 -1.403 1.00 0.00 C ATOM 321 C LEU A 856 5.372 -0.020 -1.302 1.00 0.00 C ATOM 322 O LEU A 856 4.765 -0.923 -1.874 1.00 0.00 O ATOM 323 CB LEU A 856 3.711 1.661 -0.462 1.00 0.00 C ATOM 324 CG LEU A 856 3.078 0.324 -0.087 1.00 0.00 C ATOM 325 CD1 LEU A 856 4.161 -0.634 0.400 1.00 0.00 C ATOM 326 CD2 LEU A 856 2.053 0.540 1.023 1.00 0.00 C ATOM 0 H LEU A 856 3.570 1.337 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 856 5.707 2.079 -1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 856 4.049 2.180 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 856 2.973 2.303 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 856 2.584 -0.101 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 856 3.709 -1.589 0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 856 4.893 -0.789 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 856 4.656 -0.210 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 856 1.601 -0.415 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 856 2.547 0.966 1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 856 1.279 1.224 0.675 1.00 0.00 H new ATOM 338 N TYR A 857 6.469 -0.234 -0.573 1.00 0.00 N ATOM 339 CA TYR A 857 7.027 -1.560 -0.404 1.00 0.00 C ATOM 340 C TYR A 857 6.195 -2.346 0.599 1.00 0.00 C ATOM 341 O TYR A 857 6.314 -2.139 1.805 1.00 0.00 O ATOM 342 CB TYR A 857 8.475 -1.445 0.066 1.00 0.00 C ATOM 343 CG TYR A 857 8.836 -2.431 1.151 1.00 0.00 C ATOM 344 CD1 TYR A 857 8.509 -3.784 1.005 1.00 0.00 C ATOM 345 CD2 TYR A 857 9.499 -1.992 2.303 1.00 0.00 C ATOM 346 CE1 TYR A 857 8.844 -4.698 2.011 1.00 0.00 C ATOM 347 CE2 TYR A 857 9.833 -2.905 3.310 1.00 0.00 C ATOM 348 CZ TYR A 857 9.506 -4.259 3.164 1.00 0.00 C ATOM 349 OH TYR A 857 9.832 -5.149 4.144 1.00 0.00 O ATOM 0 H TYR A 857 6.984 0.503 -0.092 1.00 0.00 H new ATOM 0 HA TYR A 857 7.009 -2.091 -1.356 1.00 0.00 H new ATOM 0 HB2 TYR A 857 9.138 -1.595 -0.786 1.00 0.00 H new ATOM 0 HB3 TYR A 857 8.651 -0.433 0.432 1.00 0.00 H new ATOM 0 HD1 TYR A 857 7.998 -4.123 0.116 1.00 0.00 H new ATOM 0 HD2 TYR A 857 9.753 -0.948 2.415 1.00 0.00 H new ATOM 0 HE1 TYR A 857 8.592 -5.742 1.898 1.00 0.00 H new ATOM 0 HE2 TYR A 857 10.343 -2.565 4.199 1.00 0.00 H new ATOM 0 HH TYR A 857 10.288 -4.680 4.874 1.00 0.00 H new ATOM 359 N LEU A 858 5.352 -3.252 0.099 1.00 0.00 N ATOM 360 CA LEU A 858 4.506 -4.064 0.951 1.00 0.00 C ATOM 361 C LEU A 858 5.298 -5.248 1.487 1.00 0.00 C ATOM 362 O LEU A 858 5.660 -6.148 0.733 1.00 0.00 O ATOM 363 CB LEU A 858 3.293 -4.540 0.158 1.00 0.00 C ATOM 364 CG LEU A 858 2.304 -5.220 1.100 1.00 0.00 C ATOM 365 CD1 LEU A 858 2.629 -4.838 2.541 1.00 0.00 C ATOM 366 CD2 LEU A 858 0.886 -4.769 0.761 1.00 0.00 C ATOM 0 H LEU A 858 5.243 -3.436 -0.898 1.00 0.00 H new ATOM 0 HA LEU A 858 4.160 -3.471 1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 858 2.816 -3.695 -0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 858 3.605 -5.234 -0.622 1.00 0.00 H new ATOM 0 HG LEU A 858 2.378 -6.301 0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 858 1.923 -5.324 3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 858 3.642 -5.160 2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 858 2.555 -3.757 2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 858 0.179 -5.255 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 858 0.811 -3.688 0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 858 0.654 -5.042 -0.268 1.00 0.00 H new ATOM 378 N PRO A 859 5.566 -5.245 2.795 1.00 0.00 N ATOM 379 CA PRO A 859 6.304 -6.286 3.479 1.00 0.00 C ATOM 380 C PRO A 859 5.442 -7.536 3.586 1.00 0.00 C ATOM 381 O PRO A 859 4.225 -7.443 3.729 1.00 0.00 O ATOM 382 CB PRO A 859 6.605 -5.709 4.860 1.00 0.00 C ATOM 383 CG PRO A 859 5.422 -4.773 5.102 1.00 0.00 C ATOM 384 CD PRO A 859 5.156 -4.203 3.711 1.00 0.00 C ATOM 0 HA PRO A 859 7.217 -6.572 2.957 1.00 0.00 H new ATOM 0 HB2 PRO A 859 6.666 -6.489 5.619 1.00 0.00 H new ATOM 0 HB3 PRO A 859 7.554 -5.173 4.876 1.00 0.00 H new ATOM 0 HG2 PRO A 859 4.556 -5.307 5.493 1.00 0.00 H new ATOM 0 HG3 PRO A 859 5.665 -3.990 5.821 1.00 0.00 H new ATOM 0 HD2 PRO A 859 4.103 -3.955 3.581 1.00 0.00 H new ATOM 0 HD3 PRO A 859 5.722 -3.286 3.545 1.00 0.00 H new ATOM 392 N PRO A 860 6.077 -8.708 3.515 1.00 0.00 N ATOM 393 CA PRO A 860 5.423 -9.996 3.598 1.00 0.00 C ATOM 394 C PRO A 860 4.970 -10.248 5.029 1.00 0.00 C ATOM 395 O PRO A 860 4.082 -11.064 5.267 1.00 0.00 O ATOM 396 CB PRO A 860 6.489 -11.005 3.175 1.00 0.00 C ATOM 397 CG PRO A 860 7.787 -10.330 3.618 1.00 0.00 C ATOM 398 CD PRO A 860 7.506 -8.854 3.347 1.00 0.00 C ATOM 0 HA PRO A 860 4.536 -10.063 2.968 1.00 0.00 H new ATOM 0 HB2 PRO A 860 6.348 -11.970 3.661 1.00 0.00 H new ATOM 0 HB3 PRO A 860 6.473 -11.184 2.100 1.00 0.00 H new ATOM 0 HG2 PRO A 860 8.001 -10.515 4.671 1.00 0.00 H new ATOM 0 HG3 PRO A 860 8.645 -10.690 3.050 1.00 0.00 H new ATOM 0 HD2 PRO A 860 8.052 -8.214 4.040 1.00 0.00 H new ATOM 0 HD3 PRO A 860 7.816 -8.571 2.341 1.00 0.00 H new ATOM 406 N SER A 861 5.584 -9.545 5.983 1.00 0.00 N ATOM 407 CA SER A 861 5.242 -9.697 7.383 1.00 0.00 C ATOM 408 C SER A 861 4.035 -8.831 7.716 1.00 0.00 C ATOM 409 O SER A 861 3.452 -8.962 8.790 1.00 0.00 O ATOM 410 CB SER A 861 6.440 -9.308 8.244 1.00 0.00 C ATOM 411 OG SER A 861 6.911 -10.445 8.933 1.00 0.00 O ATOM 0 H SER A 861 6.322 -8.865 5.802 1.00 0.00 H new ATOM 0 HA SER A 861 4.986 -10.737 7.588 1.00 0.00 H new ATOM 0 HB2 SER A 861 7.232 -8.894 7.619 1.00 0.00 H new ATOM 0 HB3 SER A 861 6.155 -8.531 8.954 1.00 0.00 H new ATOM 0 HG SER A 861 7.682 -10.197 9.485 1.00 0.00 H new ATOM 417 N THR A 862 3.660 -7.944 6.792 1.00 0.00 N ATOM 418 CA THR A 862 2.525 -7.067 6.994 1.00 0.00 C ATOM 419 C THR A 862 1.236 -7.875 6.986 1.00 0.00 C ATOM 420 O THR A 862 1.099 -8.824 6.216 1.00 0.00 O ATOM 421 CB THR A 862 2.503 -6.004 5.900 1.00 0.00 C ATOM 422 OG1 THR A 862 2.800 -4.745 6.462 1.00 0.00 O ATOM 423 CG2 THR A 862 1.119 -5.961 5.259 1.00 0.00 C ATOM 0 H THR A 862 4.133 -7.821 5.897 1.00 0.00 H new ATOM 0 HA THR A 862 2.613 -6.573 7.962 1.00 0.00 H new ATOM 0 HB THR A 862 3.247 -6.248 5.142 1.00 0.00 H new ATOM 0 HG1 THR A 862 1.971 -4.317 6.762 1.00 0.00 H new ATOM 0 HG21 THR A 862 1.103 -5.201 4.477 1.00 0.00 H new ATOM 0 HG22 THR A 862 0.889 -6.934 4.824 1.00 0.00 H new ATOM 0 HG23 THR A 862 0.374 -5.717 6.017 1.00 0.00 H new ATOM 431 N PRO A 863 0.287 -7.497 7.846 1.00 0.00 N ATOM 432 CA PRO A 863 -1.000 -8.144 7.978 1.00 0.00 C ATOM 433 C PRO A 863 -1.864 -7.812 6.770 1.00 0.00 C ATOM 434 O PRO A 863 -1.805 -6.700 6.249 1.00 0.00 O ATOM 435 CB PRO A 863 -1.601 -7.564 9.256 1.00 0.00 C ATOM 436 CG PRO A 863 -0.994 -6.163 9.310 1.00 0.00 C ATOM 437 CD PRO A 863 0.414 -6.387 8.765 1.00 0.00 C ATOM 0 HA PRO A 863 -0.926 -9.230 8.028 1.00 0.00 H new ATOM 0 HB2 PRO A 863 -2.690 -7.532 9.213 1.00 0.00 H new ATOM 0 HB3 PRO A 863 -1.334 -8.154 10.133 1.00 0.00 H new ATOM 0 HG2 PRO A 863 -1.556 -5.454 8.702 1.00 0.00 H new ATOM 0 HG3 PRO A 863 -0.977 -5.768 10.326 1.00 0.00 H new ATOM 0 HD2 PRO A 863 0.788 -5.497 8.259 1.00 0.00 H new ATOM 0 HD3 PRO A 863 1.116 -6.617 9.567 1.00 0.00 H new ATOM 445 N ASP A 864 -2.668 -8.780 6.324 1.00 0.00 N ATOM 446 CA ASP A 864 -3.536 -8.587 5.180 1.00 0.00 C ATOM 447 C ASP A 864 -2.701 -8.480 3.912 1.00 0.00 C ATOM 448 O ASP A 864 -3.199 -8.055 2.872 1.00 0.00 O ATOM 449 CB ASP A 864 -4.372 -7.326 5.384 1.00 0.00 C ATOM 450 CG ASP A 864 -5.844 -7.673 5.557 1.00 0.00 C ATOM 451 OD1 ASP A 864 -6.179 -8.201 6.640 1.00 0.00 O ATOM 452 OD2 ASP A 864 -6.607 -7.403 4.605 1.00 0.00 O ATOM 0 H ASP A 864 -2.730 -9.707 6.746 1.00 0.00 H new ATOM 0 HA ASP A 864 -4.207 -9.440 5.079 1.00 0.00 H new ATOM 0 HB2 ASP A 864 -4.016 -6.787 6.262 1.00 0.00 H new ATOM 0 HB3 ASP A 864 -4.249 -6.661 4.529 1.00 0.00 H new ATOM 457 N PHE A 865 -1.426 -8.869 3.999 1.00 0.00 N ATOM 458 CA PHE A 865 -0.533 -8.814 2.859 1.00 0.00 C ATOM 459 C PHE A 865 -1.222 -9.399 1.634 1.00 0.00 C ATOM 460 O PHE A 865 -1.217 -8.790 0.567 1.00 0.00 O ATOM 461 CB PHE A 865 0.746 -9.583 3.180 1.00 0.00 C ATOM 462 CG PHE A 865 1.861 -9.336 2.193 1.00 0.00 C ATOM 463 CD1 PHE A 865 2.439 -8.064 2.094 1.00 0.00 C ATOM 464 CD2 PHE A 865 2.317 -10.377 1.376 1.00 0.00 C ATOM 465 CE1 PHE A 865 3.472 -7.834 1.177 1.00 0.00 C ATOM 466 CE2 PHE A 865 3.350 -10.147 0.459 1.00 0.00 C ATOM 467 CZ PHE A 865 3.927 -8.875 0.360 1.00 0.00 C ATOM 0 H PHE A 865 -0.997 -9.225 4.853 1.00 0.00 H new ATOM 0 HA PHE A 865 -0.274 -7.777 2.644 1.00 0.00 H new ATOM 0 HB2 PHE A 865 1.087 -9.306 4.178 1.00 0.00 H new ATOM 0 HB3 PHE A 865 0.523 -10.650 3.204 1.00 0.00 H new ATOM 0 HD1 PHE A 865 2.088 -7.261 2.725 1.00 0.00 H new ATOM 0 HD2 PHE A 865 1.872 -11.358 1.453 1.00 0.00 H new ATOM 0 HE1 PHE A 865 3.918 -6.853 1.100 1.00 0.00 H new ATOM 0 HE2 PHE A 865 3.701 -10.950 -0.172 1.00 0.00 H new ATOM 0 HZ PHE A 865 4.724 -8.697 -0.347 1.00 0.00 H new ATOM 477 N SER A 866 -1.816 -10.584 1.790 1.00 0.00 N ATOM 478 CA SER A 866 -2.505 -11.243 0.699 1.00 0.00 C ATOM 479 C SER A 866 -3.024 -10.204 -0.285 1.00 0.00 C ATOM 480 O SER A 866 -2.446 -10.013 -1.353 1.00 0.00 O ATOM 481 CB SER A 866 -3.652 -12.082 1.255 1.00 0.00 C ATOM 482 OG SER A 866 -3.598 -13.377 0.700 1.00 0.00 O ATOM 0 H SER A 866 -1.829 -11.102 2.669 1.00 0.00 H new ATOM 0 HA SER A 866 -1.814 -11.901 0.172 1.00 0.00 H new ATOM 0 HB2 SER A 866 -3.583 -12.137 2.341 1.00 0.00 H new ATOM 0 HB3 SER A 866 -4.607 -11.613 1.019 1.00 0.00 H new ATOM 0 HG SER A 866 -4.333 -13.917 1.058 1.00 0.00 H new ATOM 488 N ARG A 867 -4.119 -9.531 0.078 1.00 0.00 N ATOM 489 CA ARG A 867 -4.710 -8.517 -0.772 1.00 0.00 C ATOM 490 C ARG A 867 -3.813 -7.289 -0.810 1.00 0.00 C ATOM 491 O ARG A 867 -3.634 -6.681 -1.863 1.00 0.00 O ATOM 492 CB ARG A 867 -6.096 -8.157 -0.244 1.00 0.00 C ATOM 493 CG ARG A 867 -6.961 -9.413 -0.187 1.00 0.00 C ATOM 494 CD ARG A 867 -7.203 -9.799 1.269 1.00 0.00 C ATOM 495 NE ARG A 867 -8.621 -10.065 1.513 1.00 0.00 N ATOM 496 CZ ARG A 867 -9.198 -11.242 1.235 1.00 0.00 C ATOM 497 NH1 ARG A 867 -8.469 -12.238 0.713 1.00 0.00 N ATOM 498 NH2 ARG A 867 -10.502 -11.424 1.480 1.00 0.00 N ATOM 0 H ARG A 867 -4.609 -9.677 0.960 1.00 0.00 H new ATOM 0 HA ARG A 867 -4.810 -8.901 -1.787 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -6.015 -7.713 0.748 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -6.560 -7.412 -0.890 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -7.912 -9.236 -0.690 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -6.469 -10.230 -0.714 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -6.616 -10.683 1.517 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -6.862 -8.996 1.923 1.00 0.00 H new ATOM 0 HE ARG A 867 -9.195 -9.322 1.912 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -7.476 -12.100 0.528 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -8.908 -13.134 0.501 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -11.057 -10.666 1.878 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -10.941 -12.320 1.268 1.00 0.00 H new ATOM 512 N LEU A 868 -3.246 -6.925 0.342 1.00 0.00 N ATOM 513 CA LEU A 868 -2.371 -5.774 0.435 1.00 0.00 C ATOM 514 C LEU A 868 -1.559 -5.638 -0.845 1.00 0.00 C ATOM 515 O LEU A 868 -1.465 -4.551 -1.411 1.00 0.00 O ATOM 516 CB LEU A 868 -1.452 -5.930 1.643 1.00 0.00 C ATOM 517 CG LEU A 868 -2.071 -5.225 2.847 1.00 0.00 C ATOM 518 CD1 LEU A 868 -0.966 -4.612 3.702 1.00 0.00 C ATOM 519 CD2 LEU A 868 -3.011 -4.124 2.364 1.00 0.00 C ATOM 0 H LEU A 868 -3.384 -7.419 1.223 1.00 0.00 H new ATOM 0 HA LEU A 868 -2.967 -4.870 0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 868 -1.301 -6.987 1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 868 -0.472 -5.507 1.425 1.00 0.00 H new ATOM 0 HG LEU A 868 -2.632 -5.946 3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 868 -1.408 -4.109 4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 868 -0.295 -5.398 4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 868 -0.405 -3.891 3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 868 -3.453 -3.620 3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 868 -2.451 -3.402 1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 868 -3.801 -4.562 1.754 1.00 0.00 H new ATOM 531 N ARG A 869 -0.971 -6.747 -1.301 1.00 0.00 N ATOM 532 CA ARG A 869 -0.171 -6.747 -2.509 1.00 0.00 C ATOM 533 C ARG A 869 -1.063 -6.505 -3.719 1.00 0.00 C ATOM 534 O ARG A 869 -1.267 -5.362 -4.123 1.00 0.00 O ATOM 535 CB ARG A 869 0.559 -8.081 -2.635 1.00 0.00 C ATOM 536 CG ARG A 869 1.722 -7.935 -3.612 1.00 0.00 C ATOM 537 CD ARG A 869 3.036 -7.896 -2.838 1.00 0.00 C ATOM 538 NE ARG A 869 3.525 -9.247 -2.564 1.00 0.00 N ATOM 539 CZ ARG A 869 4.826 -9.532 -2.415 1.00 0.00 C ATOM 540 NH1 ARG A 869 5.741 -8.558 -2.514 1.00 0.00 N ATOM 541 NH2 ARG A 869 5.212 -10.791 -2.168 1.00 0.00 N ATOM 0 H ARG A 869 -1.040 -7.656 -0.843 1.00 0.00 H new ATOM 0 HA ARG A 869 0.567 -5.946 -2.460 1.00 0.00 H new ATOM 0 HB2 ARG A 869 0.927 -8.400 -1.660 1.00 0.00 H new ATOM 0 HB3 ARG A 869 -0.128 -8.852 -2.984 1.00 0.00 H new ATOM 0 HG2 ARG A 869 1.727 -8.768 -4.315 1.00 0.00 H new ATOM 0 HG3 ARG A 869 1.606 -7.023 -4.198 1.00 0.00 H new ATOM 0 HD2 ARG A 869 3.782 -7.345 -3.410 1.00 0.00 H new ATOM 0 HD3 ARG A 869 2.893 -7.360 -1.900 1.00 0.00 H new ATOM 0 HE ARG A 869 2.847 -10.005 -2.483 1.00 0.00 H new ATOM 0 HH11 ARG A 869 5.447 -7.600 -2.703 1.00 0.00 H new ATOM 0 HH12 ARG A 869 6.731 -8.775 -2.401 1.00 0.00 H new ATOM 0 HH21 ARG A 869 4.516 -11.533 -2.093 1.00 0.00 H new ATOM 0 HH22 ARG A 869 6.202 -11.008 -2.055 1.00 0.00 H new ATOM 555 N ARG A 870 -1.595 -7.585 -4.296 1.00 0.00 N ATOM 556 CA ARG A 870 -2.460 -7.485 -5.454 1.00 0.00 C ATOM 557 C ARG A 870 -3.282 -6.207 -5.375 1.00 0.00 C ATOM 558 O ARG A 870 -3.151 -5.329 -6.226 1.00 0.00 O ATOM 559 CB ARG A 870 -3.369 -8.709 -5.515 1.00 0.00 C ATOM 560 CG ARG A 870 -3.460 -9.205 -6.955 1.00 0.00 C ATOM 561 CD ARG A 870 -2.536 -10.405 -7.140 1.00 0.00 C ATOM 562 NE ARG A 870 -1.434 -10.085 -8.047 1.00 0.00 N ATOM 563 CZ ARG A 870 -0.603 -11.015 -8.537 1.00 0.00 C ATOM 564 NH1 ARG A 870 -0.764 -12.302 -8.199 1.00 0.00 N ATOM 565 NH2 ARG A 870 0.389 -10.660 -9.364 1.00 0.00 N ATOM 0 H ARG A 870 -1.436 -8.539 -3.972 1.00 0.00 H new ATOM 0 HA ARG A 870 -1.857 -7.450 -6.361 1.00 0.00 H new ATOM 0 HB2 ARG A 870 -2.978 -9.497 -4.872 1.00 0.00 H new ATOM 0 HB3 ARG A 870 -4.362 -8.457 -5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 870 -4.487 -9.484 -7.190 1.00 0.00 H new ATOM 0 HG3 ARG A 870 -3.180 -8.408 -7.644 1.00 0.00 H new ATOM 0 HD2 ARG A 870 -2.138 -10.714 -6.174 1.00 0.00 H new ATOM 0 HD3 ARG A 870 -3.103 -11.248 -7.535 1.00 0.00 H new ATOM 0 HE ARG A 870 -1.292 -9.112 -8.318 1.00 0.00 H new ATOM 0 HH11 ARG A 870 -1.519 -12.573 -7.569 1.00 0.00 H new ATOM 0 HH12 ARG A 870 -0.132 -13.010 -8.572 1.00 0.00 H new ATOM 0 HH21 ARG A 870 0.513 -9.681 -9.621 1.00 0.00 H new ATOM 0 HH22 ARG A 870 1.021 -11.369 -9.736 1.00 0.00 H new ATOM 579 N TYR A 871 -4.131 -6.102 -4.350 1.00 0.00 N ATOM 580 CA TYR A 871 -4.968 -4.934 -4.169 1.00 0.00 C ATOM 581 C TYR A 871 -4.189 -3.679 -4.537 1.00 0.00 C ATOM 582 O TYR A 871 -4.400 -3.105 -5.603 1.00 0.00 O ATOM 583 CB TYR A 871 -5.444 -4.870 -2.721 1.00 0.00 C ATOM 584 CG TYR A 871 -6.577 -3.897 -2.500 1.00 0.00 C ATOM 585 CD1 TYR A 871 -7.705 -3.936 -3.329 1.00 0.00 C ATOM 586 CD2 TYR A 871 -6.500 -2.955 -1.467 1.00 0.00 C ATOM 587 CE1 TYR A 871 -8.755 -3.034 -3.125 1.00 0.00 C ATOM 588 CE2 TYR A 871 -7.551 -2.053 -1.263 1.00 0.00 C ATOM 589 CZ TYR A 871 -8.678 -2.092 -2.091 1.00 0.00 C ATOM 590 OH TYR A 871 -9.702 -1.213 -1.892 1.00 0.00 O ATOM 0 H TYR A 871 -4.250 -6.820 -3.635 1.00 0.00 H new ATOM 0 HA TYR A 871 -5.839 -5.001 -4.821 1.00 0.00 H new ATOM 0 HB2 TYR A 871 -5.763 -5.864 -2.408 1.00 0.00 H new ATOM 0 HB3 TYR A 871 -4.605 -4.589 -2.084 1.00 0.00 H new ATOM 0 HD1 TYR A 871 -7.764 -4.662 -4.126 1.00 0.00 H new ATOM 0 HD2 TYR A 871 -5.630 -2.924 -0.828 1.00 0.00 H new ATOM 0 HE1 TYR A 871 -9.625 -3.064 -3.765 1.00 0.00 H new ATOM 0 HE2 TYR A 871 -7.492 -1.327 -0.466 1.00 0.00 H new ATOM 0 HH TYR A 871 -10.159 -1.428 -1.052 1.00 0.00 H new ATOM 600 N PHE A 872 -3.286 -3.253 -3.650 1.00 0.00 N ATOM 601 CA PHE A 872 -2.483 -2.071 -3.887 1.00 0.00 C ATOM 602 C PHE A 872 -2.090 -1.999 -5.356 1.00 0.00 C ATOM 603 O PHE A 872 -2.846 -1.488 -6.179 1.00 0.00 O ATOM 604 CB PHE A 872 -1.245 -2.112 -2.997 1.00 0.00 C ATOM 605 CG PHE A 872 -0.432 -0.839 -3.035 1.00 0.00 C ATOM 606 CD1 PHE A 872 0.116 -0.395 -4.245 1.00 0.00 C ATOM 607 CD2 PHE A 872 -0.224 -0.106 -1.861 1.00 0.00 C ATOM 608 CE1 PHE A 872 0.871 0.783 -4.281 1.00 0.00 C ATOM 609 CE2 PHE A 872 0.532 1.073 -1.897 1.00 0.00 C ATOM 610 CZ PHE A 872 1.079 1.517 -3.107 1.00 0.00 C ATOM 0 H PHE A 872 -3.099 -3.717 -2.761 1.00 0.00 H new ATOM 0 HA PHE A 872 -3.061 -1.179 -3.643 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -1.552 -2.307 -1.970 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -0.614 -2.946 -3.304 1.00 0.00 H new ATOM 0 HD1 PHE A 872 -0.044 -0.962 -5.150 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -0.646 -0.449 -0.928 1.00 0.00 H new ATOM 0 HE1 PHE A 872 1.293 1.126 -5.214 1.00 0.00 H new ATOM 0 HE2 PHE A 872 0.693 1.639 -0.992 1.00 0.00 H new ATOM 0 HZ PHE A 872 1.662 2.426 -3.135 1.00 0.00 H new ATOM 620 N VAL A 873 -0.902 -2.515 -5.683 1.00 0.00 N ATOM 621 CA VAL A 873 -0.415 -2.508 -7.048 1.00 0.00 C ATOM 622 C VAL A 873 -1.590 -2.553 -8.014 1.00 0.00 C ATOM 623 O VAL A 873 -1.573 -1.886 -9.046 1.00 0.00 O ATOM 624 CB VAL A 873 0.509 -3.703 -7.263 1.00 0.00 C ATOM 625 CG1 VAL A 873 0.126 -4.823 -6.301 1.00 0.00 C ATOM 626 CG2 VAL A 873 0.374 -4.197 -8.701 1.00 0.00 C ATOM 0 H VAL A 873 -0.264 -2.942 -5.012 1.00 0.00 H new ATOM 0 HA VAL A 873 0.147 -1.593 -7.234 1.00 0.00 H new ATOM 0 HB VAL A 873 1.540 -3.403 -7.077 1.00 0.00 H new ATOM 0 HG11 VAL A 873 0.786 -5.676 -6.455 1.00 0.00 H new ATOM 0 HG12 VAL A 873 0.223 -4.470 -5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 873 -0.905 -5.124 -6.485 1.00 0.00 H new ATOM 0 HG21 VAL A 873 1.034 -5.051 -8.856 1.00 0.00 H new ATOM 0 HG22 VAL A 873 -0.657 -4.497 -8.887 1.00 0.00 H new ATOM 0 HG23 VAL A 873 0.649 -3.397 -9.388 1.00 0.00 H new ATOM 636 N ALA A 874 -2.612 -3.343 -7.677 1.00 0.00 N ATOM 637 CA ALA A 874 -3.788 -3.471 -8.514 1.00 0.00 C ATOM 638 C ALA A 874 -4.425 -2.105 -8.721 1.00 0.00 C ATOM 639 O ALA A 874 -4.904 -1.800 -9.811 1.00 0.00 O ATOM 640 CB ALA A 874 -4.774 -4.435 -7.861 1.00 0.00 C ATOM 0 H ALA A 874 -2.640 -3.903 -6.825 1.00 0.00 H new ATOM 0 HA ALA A 874 -3.504 -3.868 -9.489 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -5.659 -4.532 -8.490 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -4.304 -5.411 -7.743 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -5.064 -4.051 -6.883 1.00 0.00 H new ATOM 646 N PHE A 875 -4.432 -1.282 -7.670 1.00 0.00 N ATOM 647 CA PHE A 875 -5.010 0.045 -7.744 1.00 0.00 C ATOM 648 C PHE A 875 -4.443 0.790 -8.944 1.00 0.00 C ATOM 649 O PHE A 875 -5.187 1.402 -9.706 1.00 0.00 O ATOM 650 CB PHE A 875 -4.717 0.799 -6.450 1.00 0.00 C ATOM 651 CG PHE A 875 -5.213 0.089 -5.213 1.00 0.00 C ATOM 652 CD1 PHE A 875 -5.693 -1.223 -5.304 1.00 0.00 C ATOM 653 CD2 PHE A 875 -5.191 0.742 -3.975 1.00 0.00 C ATOM 654 CE1 PHE A 875 -6.150 -1.882 -4.156 1.00 0.00 C ATOM 655 CE2 PHE A 875 -5.648 0.083 -2.828 1.00 0.00 C ATOM 656 CZ PHE A 875 -6.128 -1.229 -2.918 1.00 0.00 C ATOM 0 H PHE A 875 -4.041 -1.520 -6.759 1.00 0.00 H new ATOM 0 HA PHE A 875 -6.090 -0.031 -7.868 1.00 0.00 H new ATOM 0 HB2 PHE A 875 -3.641 0.953 -6.364 1.00 0.00 H new ATOM 0 HB3 PHE A 875 -5.177 1.786 -6.502 1.00 0.00 H new ATOM 0 HD1 PHE A 875 -5.711 -1.727 -6.259 1.00 0.00 H new ATOM 0 HD2 PHE A 875 -4.821 1.754 -3.905 1.00 0.00 H new ATOM 0 HE1 PHE A 875 -6.520 -2.894 -4.226 1.00 0.00 H new ATOM 0 HE2 PHE A 875 -5.630 0.587 -1.873 1.00 0.00 H new ATOM 0 HZ PHE A 875 -6.481 -1.737 -2.033 1.00 0.00 H new ATOM 666 N ASP A 876 -3.119 0.737 -9.110 1.00 0.00 N ATOM 667 CA ASP A 876 -2.460 1.406 -10.213 1.00 0.00 C ATOM 668 C ASP A 876 -1.059 1.830 -9.795 1.00 0.00 C ATOM 669 O ASP A 876 -0.393 2.572 -10.514 1.00 0.00 O ATOM 670 CB ASP A 876 -3.286 2.615 -10.641 1.00 0.00 C ATOM 671 CG ASP A 876 -4.177 2.273 -11.826 1.00 0.00 C ATOM 672 OD1 ASP A 876 -4.194 1.079 -12.198 1.00 0.00 O ATOM 673 OD2 ASP A 876 -4.825 3.211 -12.340 1.00 0.00 O ATOM 0 H ASP A 876 -2.488 0.233 -8.487 1.00 0.00 H new ATOM 0 HA ASP A 876 -2.375 0.724 -11.059 1.00 0.00 H new ATOM 0 HB2 ASP A 876 -3.899 2.955 -9.806 1.00 0.00 H new ATOM 0 HB3 ASP A 876 -2.623 3.438 -10.906 1.00 0.00 H new ATOM 678 N GLY A 877 -0.612 1.359 -8.629 1.00 0.00 N ATOM 679 CA GLY A 877 0.705 1.695 -8.127 1.00 0.00 C ATOM 680 C GLY A 877 1.687 0.571 -8.429 1.00 0.00 C ATOM 681 O GLY A 877 1.603 -0.065 -9.477 1.00 0.00 O ATOM 0 H GLY A 877 -1.150 0.743 -8.020 1.00 0.00 H new ATOM 0 HA2 GLY A 877 1.051 2.622 -8.584 1.00 0.00 H new ATOM 0 HA3 GLY A 877 0.659 1.868 -7.052 1.00 0.00 H new ATOM 685 N ASP A 878 2.622 0.330 -7.507 1.00 0.00 N ATOM 686 CA ASP A 878 3.614 -0.712 -7.680 1.00 0.00 C ATOM 687 C ASP A 878 4.143 -1.150 -6.321 1.00 0.00 C ATOM 688 O ASP A 878 4.044 -0.408 -5.347 1.00 0.00 O ATOM 689 CB ASP A 878 4.748 -0.192 -8.559 1.00 0.00 C ATOM 690 CG ASP A 878 4.583 -0.668 -9.996 1.00 0.00 C ATOM 691 OD1 ASP A 878 4.829 -1.872 -10.226 1.00 0.00 O ATOM 692 OD2 ASP A 878 4.216 0.181 -10.836 1.00 0.00 O ATOM 0 H ASP A 878 2.706 0.849 -6.633 1.00 0.00 H new ATOM 0 HA ASP A 878 3.160 -1.575 -8.167 1.00 0.00 H new ATOM 0 HB2 ASP A 878 4.764 0.898 -8.532 1.00 0.00 H new ATOM 0 HB3 ASP A 878 5.705 -0.535 -8.166 1.00 0.00 H new ATOM 697 N LEU A 879 4.705 -2.359 -6.258 1.00 0.00 N ATOM 698 CA LEU A 879 5.244 -2.889 -5.022 1.00 0.00 C ATOM 699 C LEU A 879 6.651 -3.420 -5.258 1.00 0.00 C ATOM 700 O LEU A 879 6.856 -4.284 -6.107 1.00 0.00 O ATOM 701 CB LEU A 879 4.330 -3.993 -4.500 1.00 0.00 C ATOM 702 CG LEU A 879 2.886 -3.501 -4.501 1.00 0.00 C ATOM 703 CD1 LEU A 879 2.041 -4.399 -3.602 1.00 0.00 C ATOM 704 CD2 LEU A 879 2.837 -2.067 -3.979 1.00 0.00 C ATOM 0 H LEU A 879 4.795 -2.986 -7.058 1.00 0.00 H new ATOM 0 HA LEU A 879 5.297 -2.097 -4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 879 4.423 -4.882 -5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 879 4.627 -4.279 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 879 2.493 -3.532 -5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 879 1.009 -4.047 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 879 2.076 -5.423 -3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 879 2.434 -4.369 -2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 879 1.806 -1.715 -3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 879 3.231 -2.036 -2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 879 3.440 -1.425 -4.621 1.00 0.00 H new ATOM 716 N VAL A 880 7.621 -2.899 -4.503 1.00 0.00 N ATOM 717 CA VAL A 880 9.001 -3.322 -4.632 1.00 0.00 C ATOM 718 C VAL A 880 9.384 -4.200 -3.449 1.00 0.00 C ATOM 719 O VAL A 880 8.963 -3.945 -2.323 1.00 0.00 O ATOM 720 CB VAL A 880 9.904 -2.094 -4.709 1.00 0.00 C ATOM 721 CG1 VAL A 880 10.825 -2.214 -5.919 1.00 0.00 C ATOM 722 CG2 VAL A 880 9.045 -0.840 -4.846 1.00 0.00 C ATOM 0 H VAL A 880 7.466 -2.181 -3.795 1.00 0.00 H new ATOM 0 HA VAL A 880 9.123 -3.904 -5.545 1.00 0.00 H new ATOM 0 HB VAL A 880 10.504 -2.027 -3.802 1.00 0.00 H new ATOM 0 HG11 VAL A 880 11.470 -1.337 -5.974 1.00 0.00 H new ATOM 0 HG12 VAL A 880 11.438 -3.110 -5.822 1.00 0.00 H new ATOM 0 HG13 VAL A 880 10.226 -2.281 -6.827 1.00 0.00 H new ATOM 0 HG21 VAL A 880 9.689 0.038 -4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 880 8.445 -0.907 -5.753 1.00 0.00 H new ATOM 0 HG23 VAL A 880 8.387 -0.754 -3.981 1.00 0.00 H new ATOM 732 N GLN A 881 10.185 -5.237 -3.707 1.00 0.00 N ATOM 733 CA GLN A 881 10.618 -6.145 -2.664 1.00 0.00 C ATOM 734 C GLN A 881 11.587 -5.435 -1.730 1.00 0.00 C ATOM 735 O GLN A 881 12.520 -4.775 -2.184 1.00 0.00 O ATOM 736 CB GLN A 881 11.276 -7.367 -3.298 1.00 0.00 C ATOM 737 CG GLN A 881 10.364 -7.930 -4.385 1.00 0.00 C ATOM 738 CD GLN A 881 10.985 -9.161 -5.030 1.00 0.00 C ATOM 739 OE1 GLN A 881 11.601 -9.066 -6.089 1.00 0.00 O ATOM 740 NE2 GLN A 881 10.820 -10.320 -4.388 1.00 0.00 N ATOM 0 H GLN A 881 10.543 -5.462 -4.635 1.00 0.00 H new ATOM 0 HA GLN A 881 9.757 -6.472 -2.081 1.00 0.00 H new ATOM 0 HB2 GLN A 881 12.241 -7.093 -3.724 1.00 0.00 H new ATOM 0 HB3 GLN A 881 11.466 -8.126 -2.539 1.00 0.00 H new ATOM 0 HG2 GLN A 881 9.396 -8.188 -3.956 1.00 0.00 H new ATOM 0 HG3 GLN A 881 10.183 -7.169 -5.144 1.00 0.00 H new ATOM 0 HE21 GLN A 881 10.300 -10.348 -3.511 1.00 0.00 H new ATOM 0 HE22 GLN A 881 11.214 -11.178 -4.775 1.00 0.00 H new ATOM 749 N GLU A 882 11.366 -5.571 -0.420 1.00 0.00 N ATOM 750 CA GLU A 882 12.222 -4.943 0.566 1.00 0.00 C ATOM 751 C GLU A 882 13.615 -4.734 -0.011 1.00 0.00 C ATOM 752 O GLU A 882 14.011 -3.605 -0.289 1.00 0.00 O ATOM 753 CB GLU A 882 12.280 -5.817 1.816 1.00 0.00 C ATOM 754 CG GLU A 882 13.092 -5.107 2.896 1.00 0.00 C ATOM 755 CD GLU A 882 13.845 -6.110 3.757 1.00 0.00 C ATOM 756 OE1 GLU A 882 14.159 -7.195 3.222 1.00 0.00 O ATOM 757 OE2 GLU A 882 14.093 -5.773 4.935 1.00 0.00 O ATOM 0 H GLU A 882 10.597 -6.114 -0.026 1.00 0.00 H new ATOM 0 HA GLU A 882 11.815 -3.968 0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 882 11.272 -6.020 2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 882 12.733 -6.780 1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 882 13.798 -4.418 2.432 1.00 0.00 H new ATOM 0 HG3 GLU A 882 12.429 -4.510 3.522 1.00 0.00 H new ATOM 764 N PHE A 883 14.358 -5.828 -0.192 1.00 0.00 N ATOM 765 CA PHE A 883 15.699 -5.758 -0.736 1.00 0.00 C ATOM 766 C PHE A 883 15.652 -5.218 -2.158 1.00 0.00 C ATOM 767 O PHE A 883 16.639 -5.297 -2.887 1.00 0.00 O ATOM 768 CB PHE A 883 16.332 -7.147 -0.705 1.00 0.00 C ATOM 769 CG PHE A 883 15.708 -8.116 -1.680 1.00 0.00 C ATOM 770 CD1 PHE A 883 14.609 -8.891 -1.290 1.00 0.00 C ATOM 771 CD2 PHE A 883 16.229 -8.242 -2.973 1.00 0.00 C ATOM 772 CE1 PHE A 883 14.031 -9.791 -2.193 1.00 0.00 C ATOM 773 CE2 PHE A 883 15.651 -9.142 -3.876 1.00 0.00 C ATOM 774 CZ PHE A 883 14.552 -9.917 -3.486 1.00 0.00 C ATOM 0 H PHE A 883 14.045 -6.772 0.034 1.00 0.00 H new ATOM 0 HA PHE A 883 16.306 -5.083 -0.133 1.00 0.00 H new ATOM 0 HB2 PHE A 883 17.396 -7.058 -0.925 1.00 0.00 H new ATOM 0 HB3 PHE A 883 16.248 -7.553 0.303 1.00 0.00 H new ATOM 0 HD1 PHE A 883 14.207 -8.794 -0.292 1.00 0.00 H new ATOM 0 HD2 PHE A 883 17.077 -7.645 -3.274 1.00 0.00 H new ATOM 0 HE1 PHE A 883 13.183 -10.388 -1.892 1.00 0.00 H new ATOM 0 HE2 PHE A 883 16.053 -9.239 -4.874 1.00 0.00 H new ATOM 0 HZ PHE A 883 14.106 -10.612 -4.183 1.00 0.00 H new ATOM 784 N ASP A 884 14.502 -4.667 -2.552 1.00 0.00 N ATOM 785 CA ASP A 884 14.333 -4.118 -3.882 1.00 0.00 C ATOM 786 C ASP A 884 13.441 -2.886 -3.822 1.00 0.00 C ATOM 787 O ASP A 884 12.219 -2.999 -3.890 1.00 0.00 O ATOM 788 CB ASP A 884 13.728 -5.180 -4.797 1.00 0.00 C ATOM 789 CG ASP A 884 14.666 -6.370 -4.942 1.00 0.00 C ATOM 790 OD1 ASP A 884 15.886 -6.154 -4.783 1.00 0.00 O ATOM 791 OD2 ASP A 884 14.144 -7.474 -5.208 1.00 0.00 O ATOM 0 H ASP A 884 13.675 -4.593 -1.959 1.00 0.00 H new ATOM 0 HA ASP A 884 15.302 -3.821 -4.283 1.00 0.00 H new ATOM 0 HB2 ASP A 884 12.772 -5.513 -4.392 1.00 0.00 H new ATOM 0 HB3 ASP A 884 13.527 -4.749 -5.778 1.00 0.00 H new ATOM 796 N MET A 885 14.054 -1.707 -3.694 1.00 0.00 N ATOM 797 CA MET A 885 13.311 -0.465 -3.623 1.00 0.00 C ATOM 798 C MET A 885 14.109 0.653 -4.279 1.00 0.00 C ATOM 799 O MET A 885 13.537 1.536 -4.916 1.00 0.00 O ATOM 800 CB MET A 885 13.016 -0.133 -2.164 1.00 0.00 C ATOM 801 CG MET A 885 14.091 -0.749 -1.274 1.00 0.00 C ATOM 802 SD MET A 885 13.649 -0.808 0.480 1.00 0.00 S ATOM 803 CE MET A 885 12.277 -1.986 0.393 1.00 0.00 C ATOM 0 H MET A 885 15.066 -1.595 -3.638 1.00 0.00 H new ATOM 0 HA MET A 885 12.367 -0.571 -4.157 1.00 0.00 H new ATOM 0 HB2 MET A 885 12.989 0.948 -2.024 1.00 0.00 H new ATOM 0 HB3 MET A 885 12.034 -0.515 -1.884 1.00 0.00 H new ATOM 0 HG2 MET A 885 14.299 -1.762 -1.620 1.00 0.00 H new ATOM 0 HG3 MET A 885 15.013 -0.178 -1.387 1.00 0.00 H new ATOM 0 HE1 MET A 885 12.316 -2.654 1.254 1.00 0.00 H new ATOM 0 HE2 MET A 885 11.331 -1.444 0.397 1.00 0.00 H new ATOM 0 HE3 MET A 885 12.357 -2.570 -0.524 1.00 0.00 H new ATOM 813 N THR A 886 15.434 0.615 -4.123 1.00 0.00 N ATOM 814 CA THR A 886 16.298 1.624 -4.701 1.00 0.00 C ATOM 815 C THR A 886 15.496 2.522 -5.632 1.00 0.00 C ATOM 816 O THR A 886 15.541 3.744 -5.510 1.00 0.00 O ATOM 817 CB THR A 886 17.438 0.944 -5.455 1.00 0.00 C ATOM 818 OG1 THR A 886 16.984 0.539 -6.727 1.00 0.00 O ATOM 819 CG2 THR A 886 17.909 -0.277 -4.671 1.00 0.00 C ATOM 0 H THR A 886 15.925 -0.109 -3.598 1.00 0.00 H new ATOM 0 HA THR A 886 16.720 2.243 -3.909 1.00 0.00 H new ATOM 0 HB THR A 886 18.266 1.644 -5.570 1.00 0.00 H new ATOM 0 HG1 THR A 886 17.716 0.104 -7.212 1.00 0.00 H new ATOM 0 HG21 THR A 886 18.723 -0.763 -5.209 1.00 0.00 H new ATOM 0 HG22 THR A 886 18.260 0.035 -3.687 1.00 0.00 H new ATOM 0 HG23 THR A 886 17.081 -0.977 -4.556 1.00 0.00 H new ATOM 827 N SER A 887 14.761 1.912 -6.564 1.00 0.00 N ATOM 828 CA SER A 887 13.953 2.658 -7.508 1.00 0.00 C ATOM 829 C SER A 887 12.520 2.749 -7.003 1.00 0.00 C ATOM 830 O SER A 887 11.733 3.550 -7.503 1.00 0.00 O ATOM 831 CB SER A 887 14.004 1.974 -8.871 1.00 0.00 C ATOM 832 OG SER A 887 14.897 2.669 -9.713 1.00 0.00 O ATOM 0 H SER A 887 14.714 0.900 -6.679 1.00 0.00 H new ATOM 0 HA SER A 887 14.346 3.670 -7.609 1.00 0.00 H new ATOM 0 HB2 SER A 887 14.325 0.938 -8.758 1.00 0.00 H new ATOM 0 HB3 SER A 887 13.009 1.953 -9.316 1.00 0.00 H new ATOM 0 HG SER A 887 14.931 2.229 -10.588 1.00 0.00 H new ATOM 838 N ALA A 888 12.183 1.924 -6.009 1.00 0.00 N ATOM 839 CA ALA A 888 10.850 1.916 -5.442 1.00 0.00 C ATOM 840 C ALA A 888 10.385 3.344 -5.195 1.00 0.00 C ATOM 841 O ALA A 888 11.122 4.292 -5.455 1.00 0.00 O ATOM 842 CB ALA A 888 10.855 1.116 -4.143 1.00 0.00 C ATOM 0 H ALA A 888 12.824 1.254 -5.585 1.00 0.00 H new ATOM 0 HA ALA A 888 10.157 1.446 -6.140 1.00 0.00 H new ATOM 0 HB1 ALA A 888 9.852 1.110 -3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 888 11.169 0.092 -4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 888 11.547 1.574 -3.436 1.00 0.00 H new ATOM 848 N THR A 889 9.159 3.496 -4.690 1.00 0.00 N ATOM 849 CA THR A 889 8.608 4.807 -4.411 1.00 0.00 C ATOM 850 C THR A 889 8.068 4.852 -2.989 1.00 0.00 C ATOM 851 O THR A 889 8.256 5.839 -2.281 1.00 0.00 O ATOM 852 CB THR A 889 7.504 5.119 -5.418 1.00 0.00 C ATOM 853 OG1 THR A 889 7.578 6.477 -5.791 1.00 0.00 O ATOM 854 CG2 THR A 889 6.144 4.837 -4.786 1.00 0.00 C ATOM 0 H THR A 889 8.534 2.721 -4.468 1.00 0.00 H new ATOM 0 HA THR A 889 9.391 5.560 -4.503 1.00 0.00 H new ATOM 0 HB THR A 889 7.630 4.493 -6.301 1.00 0.00 H new ATOM 0 HG1 THR A 889 6.719 6.760 -6.168 1.00 0.00 H new ATOM 0 HG21 THR A 889 5.356 5.060 -5.505 1.00 0.00 H new ATOM 0 HG22 THR A 889 6.087 3.787 -4.499 1.00 0.00 H new ATOM 0 HG23 THR A 889 6.017 5.462 -3.902 1.00 0.00 H new ATOM 862 N HIS A 890 7.395 3.778 -2.570 1.00 0.00 N ATOM 863 CA HIS A 890 6.832 3.704 -1.236 1.00 0.00 C ATOM 864 C HIS A 890 7.314 2.440 -0.538 1.00 0.00 C ATOM 865 O HIS A 890 7.781 1.508 -1.189 1.00 0.00 O ATOM 866 CB HIS A 890 5.309 3.724 -1.327 1.00 0.00 C ATOM 867 CG HIS A 890 4.761 5.103 -1.571 1.00 0.00 C ATOM 868 ND1 HIS A 890 5.307 6.059 -2.397 1.00 0.00 N ATOM 869 CD2 HIS A 890 3.629 5.632 -1.012 1.00 0.00 C ATOM 870 CE1 HIS A 890 4.514 7.144 -2.332 1.00 0.00 C ATOM 871 NE2 HIS A 890 3.479 6.933 -1.502 1.00 0.00 N ATOM 0 HA HIS A 890 7.161 4.563 -0.651 1.00 0.00 H new ATOM 0 HB2 HIS A 890 4.988 3.062 -2.132 1.00 0.00 H new ATOM 0 HB3 HIS A 890 4.888 3.329 -0.402 1.00 0.00 H new ATOM 0 HD2 HIS A 890 2.970 5.134 -0.317 1.00 0.00 H new ATOM 0 HE1 HIS A 890 4.686 8.062 -2.875 1.00 0.00 H new ATOM 0 HE2 HIS A 890 2.733 7.590 -1.275 1.00 0.00 H new ATOM 879 N VAL A 891 7.199 2.410 0.791 1.00 0.00 N ATOM 880 CA VAL A 891 7.622 1.264 1.571 1.00 0.00 C ATOM 881 C VAL A 891 6.746 1.132 2.808 1.00 0.00 C ATOM 882 O VAL A 891 6.615 2.077 3.583 1.00 0.00 O ATOM 883 CB VAL A 891 9.088 1.428 1.961 1.00 0.00 C ATOM 884 CG1 VAL A 891 9.964 1.274 0.721 1.00 0.00 C ATOM 885 CG2 VAL A 891 9.301 2.812 2.566 1.00 0.00 C ATOM 0 H VAL A 891 6.813 3.175 1.345 1.00 0.00 H new ATOM 0 HA VAL A 891 7.518 0.356 0.977 1.00 0.00 H new ATOM 0 HB VAL A 891 9.357 0.666 2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 891 11.012 1.391 0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 891 9.812 0.285 0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 891 9.695 2.036 -0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 891 10.348 2.930 2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 891 9.032 3.574 1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 891 8.675 2.922 3.452 1.00 0.00 H new ATOM 895 N LEU A 892 6.144 -0.046 2.993 1.00 0.00 N ATOM 896 CA LEU A 892 5.286 -0.296 4.133 1.00 0.00 C ATOM 897 C LEU A 892 6.133 -0.547 5.373 1.00 0.00 C ATOM 898 O LEU A 892 6.970 -1.447 5.384 1.00 0.00 O ATOM 899 CB LEU A 892 4.389 -1.495 3.841 1.00 0.00 C ATOM 900 CG LEU A 892 2.952 -1.163 4.232 1.00 0.00 C ATOM 901 CD1 LEU A 892 2.039 -1.349 3.024 1.00 0.00 C ATOM 902 CD2 LEU A 892 2.503 -2.092 5.357 1.00 0.00 C ATOM 0 H LEU A 892 6.242 -0.839 2.359 1.00 0.00 H new ATOM 0 HA LEU A 892 4.658 0.576 4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 892 4.439 -1.751 2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 892 4.736 -2.366 4.396 1.00 0.00 H new ATOM 0 HG LEU A 892 2.898 -0.129 4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 892 1.013 -1.112 3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 892 2.359 -0.685 2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 892 2.092 -2.383 2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 892 1.476 -1.855 5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 892 2.557 -3.127 5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 892 3.154 -1.959 6.221 1.00 0.00 H new ATOM 914 N GLY A 893 5.915 0.252 6.420 1.00 0.00 N ATOM 915 CA GLY A 893 6.660 0.109 7.655 1.00 0.00 C ATOM 916 C GLY A 893 8.153 0.041 7.365 1.00 0.00 C ATOM 917 O GLY A 893 8.629 -0.920 6.765 1.00 0.00 O ATOM 0 H GLY A 893 5.225 1.004 6.429 1.00 0.00 H new ATOM 0 HA2 GLY A 893 6.449 0.950 8.315 1.00 0.00 H new ATOM 0 HA3 GLY A 893 6.342 -0.793 8.177 1.00 0.00 H new ATOM 921 N SER A 894 8.892 1.067 7.794 1.00 0.00 N ATOM 922 CA SER A 894 10.324 1.118 7.579 1.00 0.00 C ATOM 923 C SER A 894 10.620 1.685 6.198 1.00 0.00 C ATOM 924 O SER A 894 9.725 1.784 5.360 1.00 0.00 O ATOM 925 CB SER A 894 10.910 -0.283 7.725 1.00 0.00 C ATOM 926 OG SER A 894 10.566 -0.807 8.988 1.00 0.00 O ATOM 0 H SER A 894 8.513 1.872 8.293 1.00 0.00 H new ATOM 0 HA SER A 894 10.783 1.769 8.323 1.00 0.00 H new ATOM 0 HB2 SER A 894 10.531 -0.931 6.935 1.00 0.00 H new ATOM 0 HB3 SER A 894 11.994 -0.248 7.617 1.00 0.00 H new ATOM 0 HG SER A 894 10.941 -1.708 9.082 1.00 0.00 H new ATOM 932 N ARG A 895 11.880 2.057 5.961 1.00 0.00 N ATOM 933 CA ARG A 895 12.287 2.611 4.686 1.00 0.00 C ATOM 934 C ARG A 895 13.700 2.155 4.353 1.00 0.00 C ATOM 935 O ARG A 895 14.030 1.951 3.187 1.00 0.00 O ATOM 936 CB ARG A 895 12.211 4.134 4.747 1.00 0.00 C ATOM 937 CG ARG A 895 13.033 4.638 5.930 1.00 0.00 C ATOM 938 CD ARG A 895 13.263 6.140 5.788 1.00 0.00 C ATOM 939 NE ARG A 895 14.687 6.464 5.874 1.00 0.00 N ATOM 940 CZ ARG A 895 15.148 7.721 5.834 1.00 0.00 C ATOM 941 NH1 ARG A 895 14.293 8.746 5.711 1.00 0.00 N ATOM 942 NH2 ARG A 895 16.465 7.955 5.917 1.00 0.00 N ATOM 0 H ARG A 895 12.633 1.980 6.645 1.00 0.00 H new ATOM 0 HA ARG A 895 11.618 2.258 3.901 1.00 0.00 H new ATOM 0 HB2 ARG A 895 12.587 4.565 3.819 1.00 0.00 H new ATOM 0 HB3 ARG A 895 11.174 4.453 4.849 1.00 0.00 H new ATOM 0 HG2 ARG A 895 12.513 4.426 6.864 1.00 0.00 H new ATOM 0 HG3 ARG A 895 13.989 4.115 5.971 1.00 0.00 H new ATOM 0 HD2 ARG A 895 12.866 6.483 4.833 1.00 0.00 H new ATOM 0 HD3 ARG A 895 12.718 6.670 6.569 1.00 0.00 H new ATOM 0 HE ARG A 895 15.357 5.701 5.968 1.00 0.00 H new ATOM 0 HH11 ARG A 895 13.290 8.569 5.648 1.00 0.00 H new ATOM 0 HH12 ARG A 895 14.645 9.703 5.681 1.00 0.00 H new ATOM 0 HH21 ARG A 895 17.117 7.176 6.011 1.00 0.00 H new ATOM 0 HH22 ARG A 895 16.816 8.912 5.886 1.00 0.00 H new ATOM 956 N ASP A 896 14.535 1.994 5.382 1.00 0.00 N ATOM 957 CA ASP A 896 15.906 1.564 5.193 1.00 0.00 C ATOM 958 C ASP A 896 16.089 1.031 3.779 1.00 0.00 C ATOM 959 O ASP A 896 16.650 1.713 2.925 1.00 0.00 O ATOM 960 CB ASP A 896 16.248 0.492 6.224 1.00 0.00 C ATOM 961 CG ASP A 896 17.423 -0.356 5.757 1.00 0.00 C ATOM 962 OD1 ASP A 896 18.201 0.160 4.926 1.00 0.00 O ATOM 963 OD2 ASP A 896 17.521 -1.505 6.240 1.00 0.00 O ATOM 0 H ASP A 896 14.276 2.158 6.355 1.00 0.00 H new ATOM 0 HA ASP A 896 16.579 2.410 5.331 1.00 0.00 H new ATOM 0 HB2 ASP A 896 16.490 0.962 7.177 1.00 0.00 H new ATOM 0 HB3 ASP A 896 15.380 -0.145 6.394 1.00 0.00 H new ATOM 968 N LYS A 897 15.613 -0.192 3.534 1.00 0.00 N ATOM 969 CA LYS A 897 15.728 -0.807 2.227 1.00 0.00 C ATOM 970 C LYS A 897 15.660 0.261 1.144 1.00 0.00 C ATOM 971 O LYS A 897 16.306 0.138 0.106 1.00 0.00 O ATOM 972 CB LYS A 897 14.609 -1.829 2.047 1.00 0.00 C ATOM 973 CG LYS A 897 13.657 -1.756 3.237 1.00 0.00 C ATOM 974 CD LYS A 897 12.690 -0.591 3.044 1.00 0.00 C ATOM 975 CE LYS A 897 12.047 -0.236 4.382 1.00 0.00 C ATOM 976 NZ LYS A 897 10.671 0.247 4.195 1.00 0.00 N ATOM 0 H LYS A 897 15.144 -0.770 4.231 1.00 0.00 H new ATOM 0 HA LYS A 897 16.688 -1.318 2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 897 14.067 -1.632 1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 897 15.028 -2.832 1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 897 13.103 -2.690 3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 897 14.221 -1.625 4.160 1.00 0.00 H new ATOM 0 HD2 LYS A 897 13.220 0.273 2.643 1.00 0.00 H new ATOM 0 HD3 LYS A 897 11.922 -0.859 2.319 1.00 0.00 H new ATOM 0 HE2 LYS A 897 12.044 -1.112 5.031 1.00 0.00 H new ATOM 0 HE3 LYS A 897 12.640 0.530 4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 897 10.106 0.021 5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 897 10.681 1.277 4.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 897 10.251 -0.215 3.363 1.00 0.00 H new ATOM 990 N ASN A 898 14.875 1.313 1.389 1.00 0.00 N ATOM 991 CA ASN A 898 14.729 2.394 0.436 1.00 0.00 C ATOM 992 C ASN A 898 14.209 3.640 1.140 1.00 0.00 C ATOM 993 O ASN A 898 13.006 3.779 1.352 1.00 0.00 O ATOM 994 CB ASN A 898 13.778 1.965 -0.677 1.00 0.00 C ATOM 995 CG ASN A 898 14.406 2.188 -2.045 1.00 0.00 C ATOM 996 OD1 ASN A 898 15.597 1.950 -2.229 1.00 0.00 O ATOM 997 ND2 ASN A 898 13.600 2.644 -3.007 1.00 0.00 N ATOM 0 H ASN A 898 14.333 1.431 2.245 1.00 0.00 H new ATOM 0 HA ASN A 898 15.699 2.629 -0.003 1.00 0.00 H new ATOM 0 HB2 ASN A 898 13.523 0.912 -0.557 1.00 0.00 H new ATOM 0 HB3 ASN A 898 12.848 2.529 -0.603 1.00 0.00 H new ATOM 0 HD21 ASN A 898 13.967 2.810 -3.944 1.00 0.00 H new ATOM 0 HD22 ASN A 898 12.617 2.827 -2.805 1.00 0.00 H new ATOM 1004 N PRO A 899 15.119 4.547 1.501 1.00 0.00 N ATOM 1005 CA PRO A 899 14.809 5.789 2.176 1.00 0.00 C ATOM 1006 C PRO A 899 14.139 6.746 1.201 1.00 0.00 C ATOM 1007 O PRO A 899 13.597 7.771 1.608 1.00 0.00 O ATOM 1008 CB PRO A 899 16.161 6.333 2.634 1.00 0.00 C ATOM 1009 CG PRO A 899 17.120 5.795 1.573 1.00 0.00 C ATOM 1010 CD PRO A 899 16.541 4.416 1.267 1.00 0.00 C ATOM 0 HA PRO A 899 14.125 5.657 3.014 1.00 0.00 H new ATOM 0 HB2 PRO A 899 16.167 7.422 2.670 1.00 0.00 H new ATOM 0 HB3 PRO A 899 16.422 5.980 3.632 1.00 0.00 H new ATOM 0 HG2 PRO A 899 17.142 6.430 0.688 1.00 0.00 H new ATOM 0 HG3 PRO A 899 18.142 5.732 1.946 1.00 0.00 H new ATOM 0 HD2 PRO A 899 16.746 4.121 0.238 1.00 0.00 H new ATOM 0 HD3 PRO A 899 16.978 3.653 1.910 1.00 0.00 H new ATOM 1018 N ALA A 900 14.178 6.410 -0.090 1.00 0.00 N ATOM 1019 CA ALA A 900 13.577 7.240 -1.115 1.00 0.00 C ATOM 1020 C ALA A 900 12.112 6.866 -1.289 1.00 0.00 C ATOM 1021 O ALA A 900 11.396 7.497 -2.063 1.00 0.00 O ATOM 1022 CB ALA A 900 14.340 7.061 -2.425 1.00 0.00 C ATOM 0 H ALA A 900 14.624 5.563 -0.443 1.00 0.00 H new ATOM 0 HA ALA A 900 13.631 8.287 -0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 900 13.889 7.685 -3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 900 15.380 7.354 -2.283 1.00 0.00 H new ATOM 0 HB3 ALA A 900 14.296 6.016 -2.732 1.00 0.00 H new ATOM 1028 N ALA A 901 11.667 5.837 -0.565 1.00 0.00 N ATOM 1029 CA ALA A 901 10.293 5.384 -0.643 1.00 0.00 C ATOM 1030 C ALA A 901 9.455 6.097 0.409 1.00 0.00 C ATOM 1031 O ALA A 901 9.803 7.192 0.845 1.00 0.00 O ATOM 1032 CB ALA A 901 10.244 3.873 -0.441 1.00 0.00 C ATOM 0 H ALA A 901 12.248 5.305 0.083 1.00 0.00 H new ATOM 0 HA ALA A 901 9.883 5.619 -1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 901 9.211 3.531 -0.500 1.00 0.00 H new ATOM 0 HB2 ALA A 901 10.833 3.383 -1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 901 10.654 3.623 0.538 1.00 0.00 H new ATOM 1038 N GLN A 902 8.348 5.472 0.816 1.00 0.00 N ATOM 1039 CA GLN A 902 7.467 6.049 1.812 1.00 0.00 C ATOM 1040 C GLN A 902 7.243 5.055 2.942 1.00 0.00 C ATOM 1041 O GLN A 902 6.948 3.887 2.696 1.00 0.00 O ATOM 1042 CB GLN A 902 6.143 6.431 1.157 1.00 0.00 C ATOM 1043 CG GLN A 902 6.290 7.781 0.460 1.00 0.00 C ATOM 1044 CD GLN A 902 6.765 8.847 1.437 1.00 0.00 C ATOM 1045 OE1 GLN A 902 7.385 9.829 1.033 1.00 0.00 O ATOM 1046 NE2 GLN A 902 6.473 8.652 2.725 1.00 0.00 N ATOM 0 H GLN A 902 8.047 4.563 0.465 1.00 0.00 H new ATOM 0 HA GLN A 902 7.923 6.946 2.231 1.00 0.00 H new ATOM 0 HB2 GLN A 902 5.848 5.668 0.436 1.00 0.00 H new ATOM 0 HB3 GLN A 902 5.355 6.482 1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 902 6.999 7.695 -0.363 1.00 0.00 H new ATOM 0 HG3 GLN A 902 5.334 8.078 0.028 1.00 0.00 H new ATOM 0 HE21 GLN A 902 5.956 7.820 3.010 1.00 0.00 H new ATOM 0 HE22 GLN A 902 6.767 9.335 3.424 1.00 0.00 H new ATOM 1055 N GLN A 903 7.384 5.520 4.186 1.00 0.00 N ATOM 1056 CA GLN A 903 7.197 4.671 5.345 1.00 0.00 C ATOM 1057 C GLN A 903 5.728 4.657 5.744 1.00 0.00 C ATOM 1058 O GLN A 903 5.380 5.054 6.854 1.00 0.00 O ATOM 1059 CB GLN A 903 8.064 5.181 6.492 1.00 0.00 C ATOM 1060 CG GLN A 903 9.509 4.746 6.271 1.00 0.00 C ATOM 1061 CD GLN A 903 10.448 5.943 6.310 1.00 0.00 C ATOM 1062 OE1 GLN A 903 11.039 6.239 7.346 1.00 0.00 O ATOM 1063 NE2 GLN A 903 10.584 6.634 5.175 1.00 0.00 N ATOM 0 H GLN A 903 7.628 6.485 4.407 1.00 0.00 H new ATOM 0 HA GLN A 903 7.497 3.651 5.105 1.00 0.00 H new ATOM 0 HB2 GLN A 903 8.005 6.268 6.551 1.00 0.00 H new ATOM 0 HB3 GLN A 903 7.697 4.790 7.441 1.00 0.00 H new ATOM 0 HG2 GLN A 903 9.798 4.027 7.038 1.00 0.00 H new ATOM 0 HG3 GLN A 903 9.598 4.240 5.310 1.00 0.00 H new ATOM 0 HE21 GLN A 903 10.072 6.349 4.340 1.00 0.00 H new ATOM 0 HE22 GLN A 903 11.200 7.446 5.143 1.00 0.00 H new ATOM 1072 N VAL A 904 4.865 4.197 4.834 1.00 0.00 N ATOM 1073 CA VAL A 904 3.441 4.133 5.094 1.00 0.00 C ATOM 1074 C VAL A 904 3.119 2.877 5.892 1.00 0.00 C ATOM 1075 O VAL A 904 3.983 2.025 6.085 1.00 0.00 O ATOM 1076 CB VAL A 904 2.682 4.143 3.771 1.00 0.00 C ATOM 1077 CG1 VAL A 904 3.629 4.548 2.644 1.00 0.00 C ATOM 1078 CG2 VAL A 904 2.127 2.749 3.492 1.00 0.00 C ATOM 0 H VAL A 904 5.138 3.864 3.909 1.00 0.00 H new ATOM 0 HA VAL A 904 3.135 5.000 5.679 1.00 0.00 H new ATOM 0 HB VAL A 904 1.860 4.856 3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 904 3.087 4.555 1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 904 4.026 5.544 2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 904 4.451 3.835 2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 904 1.585 2.756 2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 904 2.949 2.035 3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 904 1.451 2.459 4.296 1.00 0.00 H new ATOM 1088 N SER A 905 1.872 2.765 6.354 1.00 0.00 N ATOM 1089 CA SER A 905 1.444 1.615 7.125 1.00 0.00 C ATOM 1090 C SER A 905 0.161 1.047 6.536 1.00 0.00 C ATOM 1091 O SER A 905 -0.237 1.418 5.434 1.00 0.00 O ATOM 1092 CB SER A 905 1.236 2.027 8.579 1.00 0.00 C ATOM 1093 OG SER A 905 -0.125 2.328 8.792 1.00 0.00 O ATOM 0 H SER A 905 1.145 3.464 6.202 1.00 0.00 H new ATOM 0 HA SER A 905 2.211 0.841 7.087 1.00 0.00 H new ATOM 0 HB2 SER A 905 1.550 1.223 9.245 1.00 0.00 H new ATOM 0 HB3 SER A 905 1.853 2.895 8.814 1.00 0.00 H new ATOM 0 HG SER A 905 -0.314 2.325 9.754 1.00 0.00 H new ATOM 1099 N PRO A 906 -0.487 0.143 7.275 1.00 0.00 N ATOM 1100 CA PRO A 906 -1.722 -0.500 6.880 1.00 0.00 C ATOM 1101 C PRO A 906 -2.868 0.497 6.965 1.00 0.00 C ATOM 1102 O PRO A 906 -3.862 0.366 6.254 1.00 0.00 O ATOM 1103 CB PRO A 906 -1.909 -1.637 7.882 1.00 0.00 C ATOM 1104 CG PRO A 906 -1.234 -1.093 9.141 1.00 0.00 C ATOM 1105 CD PRO A 906 -0.048 -0.316 8.575 1.00 0.00 C ATOM 0 HA PRO A 906 -1.699 -0.870 5.855 1.00 0.00 H new ATOM 0 HB2 PRO A 906 -2.963 -1.858 8.051 1.00 0.00 H new ATOM 0 HB3 PRO A 906 -1.441 -2.560 7.539 1.00 0.00 H new ATOM 0 HG2 PRO A 906 -1.903 -0.451 9.714 1.00 0.00 H new ATOM 0 HG3 PRO A 906 -0.913 -1.894 9.807 1.00 0.00 H new ATOM 0 HD2 PRO A 906 0.219 0.521 9.220 1.00 0.00 H new ATOM 0 HD3 PRO A 906 0.835 -0.949 8.492 1.00 0.00 H new ATOM 1113 N GLU A 907 -2.729 1.496 7.840 1.00 0.00 N ATOM 1114 CA GLU A 907 -3.754 2.506 8.012 1.00 0.00 C ATOM 1115 C GLU A 907 -3.743 3.463 6.828 1.00 0.00 C ATOM 1116 O GLU A 907 -4.773 4.038 6.482 1.00 0.00 O ATOM 1117 CB GLU A 907 -3.511 3.259 9.317 1.00 0.00 C ATOM 1118 CG GLU A 907 -4.730 3.113 10.223 1.00 0.00 C ATOM 1119 CD GLU A 907 -4.440 2.163 11.376 1.00 0.00 C ATOM 1120 OE1 GLU A 907 -3.964 2.664 12.417 1.00 0.00 O ATOM 1121 OE2 GLU A 907 -4.700 0.954 11.194 1.00 0.00 O ATOM 0 H GLU A 907 -1.912 1.620 8.438 1.00 0.00 H new ATOM 0 HA GLU A 907 -4.733 2.030 8.058 1.00 0.00 H new ATOM 0 HB2 GLU A 907 -2.625 2.867 9.816 1.00 0.00 H new ATOM 0 HB3 GLU A 907 -3.321 4.313 9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 907 -5.016 4.089 10.614 1.00 0.00 H new ATOM 0 HG3 GLU A 907 -5.576 2.741 9.644 1.00 0.00 H new ATOM 1128 N TRP A 908 -2.575 3.632 6.205 1.00 0.00 N ATOM 1129 CA TRP A 908 -2.441 4.515 5.064 1.00 0.00 C ATOM 1130 C TRP A 908 -3.219 3.956 3.882 1.00 0.00 C ATOM 1131 O TRP A 908 -3.964 4.681 3.226 1.00 0.00 O ATOM 1132 CB TRP A 908 -0.964 4.673 4.714 1.00 0.00 C ATOM 1133 CG TRP A 908 -0.684 5.575 3.555 1.00 0.00 C ATOM 1134 CD1 TRP A 908 -0.626 6.924 3.613 1.00 0.00 C ATOM 1135 CD2 TRP A 908 -0.424 5.224 2.162 1.00 0.00 C ATOM 1136 NE1 TRP A 908 -0.349 7.428 2.360 1.00 0.00 N ATOM 1137 CE2 TRP A 908 -0.214 6.421 1.426 1.00 0.00 C ATOM 1138 CE3 TRP A 908 -0.343 4.017 1.446 1.00 0.00 C ATOM 1139 CZ2 TRP A 908 0.060 6.422 0.055 1.00 0.00 C ATOM 1140 CZ3 TRP A 908 -0.069 4.007 0.070 1.00 0.00 C ATOM 1141 CH2 TRP A 908 0.133 5.204 -0.626 1.00 0.00 C ATOM 0 H TRP A 908 -1.711 3.164 6.479 1.00 0.00 H new ATOM 0 HA TRP A 908 -2.850 5.495 5.310 1.00 0.00 H new ATOM 0 HB2 TRP A 908 -0.437 5.055 5.588 1.00 0.00 H new ATOM 0 HB3 TRP A 908 -0.550 3.688 4.498 1.00 0.00 H new ATOM 0 HD1 TRP A 908 -0.774 7.516 4.504 1.00 0.00 H new ATOM 0 HE1 TRP A 908 -0.255 8.422 2.149 1.00 0.00 H new ATOM 0 HE3 TRP A 908 -0.494 3.081 1.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 908 0.213 7.353 -0.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 908 -0.013 3.066 -0.457 1.00 0.00 H new ATOM 0 HH2 TRP A 908 0.344 5.187 -1.685 1.00 0.00 H new ATOM 1152 N ILE A 909 -3.044 2.660 3.610 1.00 0.00 N ATOM 1153 CA ILE A 909 -3.729 2.008 2.512 1.00 0.00 C ATOM 1154 C ILE A 909 -5.226 2.263 2.614 1.00 0.00 C ATOM 1155 O ILE A 909 -5.844 2.731 1.661 1.00 0.00 O ATOM 1156 CB ILE A 909 -3.431 0.511 2.545 1.00 0.00 C ATOM 1157 CG1 ILE A 909 -2.216 0.215 1.670 1.00 0.00 C ATOM 1158 CG2 ILE A 909 -4.638 -0.259 2.018 1.00 0.00 C ATOM 1159 CD1 ILE A 909 -1.120 -0.421 2.520 1.00 0.00 C ATOM 0 H ILE A 909 -2.428 2.046 4.144 1.00 0.00 H new ATOM 0 HA ILE A 909 -3.376 2.414 1.564 1.00 0.00 H new ATOM 0 HB ILE A 909 -3.224 0.204 3.570 1.00 0.00 H new ATOM 0 HG12 ILE A 909 -2.495 -0.455 0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 909 -1.850 1.135 1.214 1.00 0.00 H new ATOM 0 HG21 ILE A 909 -4.426 -1.328 2.041 1.00 0.00 H new ATOM 0 HG22 ILE A 909 -5.506 -0.047 2.643 1.00 0.00 H new ATOM 0 HG23 ILE A 909 -4.846 0.048 0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 909 -0.252 -0.633 1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 909 -0.835 0.264 3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 909 -1.489 -1.350 2.955 1.00 0.00 H new ATOM 1171 N TRP A 910 -5.809 1.955 3.775 1.00 0.00 N ATOM 1172 CA TRP A 910 -7.228 2.155 3.990 1.00 0.00 C ATOM 1173 C TRP A 910 -7.564 3.636 3.885 1.00 0.00 C ATOM 1174 O TRP A 910 -8.373 4.033 3.050 1.00 0.00 O ATOM 1175 CB TRP A 910 -7.615 1.609 5.362 1.00 0.00 C ATOM 1176 CG TRP A 910 -6.966 0.313 5.730 1.00 0.00 C ATOM 1177 CD1 TRP A 910 -6.227 0.099 6.840 1.00 0.00 C ATOM 1178 CD2 TRP A 910 -6.980 -0.956 5.008 1.00 0.00 C ATOM 1179 NE1 TRP A 910 -5.785 -1.207 6.855 1.00 0.00 N ATOM 1180 CE2 TRP A 910 -6.221 -1.904 5.746 1.00 0.00 C ATOM 1181 CE3 TRP A 910 -7.555 -1.403 3.805 1.00 0.00 C ATOM 1182 CZ2 TRP A 910 -6.042 -3.222 5.317 1.00 0.00 C ATOM 1183 CZ3 TRP A 910 -7.382 -2.723 3.365 1.00 0.00 C ATOM 1184 CH2 TRP A 910 -6.628 -3.633 4.116 1.00 0.00 C ATOM 0 H TRP A 910 -5.312 1.566 4.576 1.00 0.00 H new ATOM 0 HA TRP A 910 -7.794 1.621 3.227 1.00 0.00 H new ATOM 0 HB2 TRP A 910 -7.362 2.353 6.117 1.00 0.00 H new ATOM 0 HB3 TRP A 910 -8.697 1.479 5.393 1.00 0.00 H new ATOM 0 HD1 TRP A 910 -6.015 0.837 7.599 1.00 0.00 H new ATOM 0 HE1 TRP A 910 -5.208 -1.608 7.594 1.00 0.00 H new ATOM 0 HE3 TRP A 910 -8.140 -0.718 3.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 910 -5.458 -3.914 5.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 910 -7.835 -3.041 2.438 1.00 0.00 H new ATOM 0 HH2 TRP A 910 -6.500 -4.648 3.769 1.00 0.00 H new ATOM 1195 N ALA A 911 -6.939 4.453 4.736 1.00 0.00 N ATOM 1196 CA ALA A 911 -7.175 5.882 4.736 1.00 0.00 C ATOM 1197 C ALA A 911 -7.003 6.433 3.328 1.00 0.00 C ATOM 1198 O ALA A 911 -7.716 7.349 2.926 1.00 0.00 O ATOM 1199 CB ALA A 911 -6.206 6.556 5.703 1.00 0.00 C ATOM 0 H ALA A 911 -6.264 4.139 5.433 1.00 0.00 H new ATOM 0 HA ALA A 911 -8.195 6.087 5.062 1.00 0.00 H new ATOM 0 HB1 ALA A 911 -6.382 7.632 5.704 1.00 0.00 H new ATOM 0 HB2 ALA A 911 -6.361 6.162 6.707 1.00 0.00 H new ATOM 0 HB3 ALA A 911 -5.181 6.357 5.389 1.00 0.00 H new ATOM 1205 N CYS A 912 -6.051 5.871 2.578 1.00 0.00 N ATOM 1206 CA CYS A 912 -5.787 6.302 1.221 1.00 0.00 C ATOM 1207 C CYS A 912 -6.899 5.812 0.304 1.00 0.00 C ATOM 1208 O CYS A 912 -7.728 6.601 -0.143 1.00 0.00 O ATOM 1209 CB CYS A 912 -4.433 5.760 0.770 1.00 0.00 C ATOM 1210 SG CYS A 912 -3.143 6.474 1.818 1.00 0.00 S ATOM 0 H CYS A 912 -5.451 5.111 2.900 1.00 0.00 H new ATOM 0 HA CYS A 912 -5.758 7.391 1.177 1.00 0.00 H new ATOM 0 HB2 CYS A 912 -4.419 4.672 0.841 1.00 0.00 H new ATOM 0 HB3 CYS A 912 -4.254 6.013 -0.275 1.00 0.00 H new ATOM 0 HG CYS A 912 -1.987 5.990 1.474 1.00 0.00 H new ATOM 1216 N ILE A 913 -6.914 4.507 0.024 1.00 0.00 N ATOM 1217 CA ILE A 913 -7.923 3.919 -0.835 1.00 0.00 C ATOM 1218 C ILE A 913 -9.296 4.461 -0.462 1.00 0.00 C ATOM 1219 O ILE A 913 -10.154 4.628 -1.326 1.00 0.00 O ATOM 1220 CB ILE A 913 -7.884 2.400 -0.698 1.00 0.00 C ATOM 1221 CG1 ILE A 913 -9.045 1.788 -1.477 1.00 0.00 C ATOM 1222 CG2 ILE A 913 -8.003 2.019 0.775 1.00 0.00 C ATOM 1223 CD1 ILE A 913 -8.818 0.287 -1.633 1.00 0.00 C ATOM 0 H ILE A 913 -6.231 3.841 0.386 1.00 0.00 H new ATOM 0 HA ILE A 913 -7.721 4.181 -1.874 1.00 0.00 H new ATOM 0 HB ILE A 913 -6.942 2.024 -1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 913 -9.984 1.972 -0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 913 -9.127 2.258 -2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 913 -7.975 0.934 0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 913 -7.174 2.455 1.332 1.00 0.00 H new ATOM 0 HG23 ILE A 913 -8.945 2.395 1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 913 -9.647 -0.150 -2.189 1.00 0.00 H new ATOM 0 HD12 ILE A 913 -7.887 0.114 -2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 913 -8.757 -0.176 -0.648 1.00 0.00 H new ATOM 1235 N ARG A 914 -9.501 4.734 0.828 1.00 0.00 N ATOM 1236 CA ARG A 914 -10.766 5.253 1.308 1.00 0.00 C ATOM 1237 C ARG A 914 -10.909 6.715 0.908 1.00 0.00 C ATOM 1238 O ARG A 914 -12.016 7.187 0.657 1.00 0.00 O ATOM 1239 CB ARG A 914 -10.836 5.099 2.824 1.00 0.00 C ATOM 1240 CG ARG A 914 -12.236 5.467 3.309 1.00 0.00 C ATOM 1241 CD ARG A 914 -12.210 6.864 3.923 1.00 0.00 C ATOM 1242 NE ARG A 914 -13.533 7.244 4.418 1.00 0.00 N ATOM 1243 CZ ARG A 914 -14.052 6.754 5.552 1.00 0.00 C ATOM 1244 NH1 ARG A 914 -13.352 5.878 6.286 1.00 0.00 N ATOM 1245 NH2 ARG A 914 -15.271 7.140 5.954 1.00 0.00 N ATOM 0 H ARG A 914 -8.799 4.601 1.555 1.00 0.00 H new ATOM 0 HA ARG A 914 -11.586 4.692 0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 914 -10.599 4.073 3.107 1.00 0.00 H new ATOM 0 HB3 ARG A 914 -10.094 5.740 3.300 1.00 0.00 H new ATOM 0 HG2 ARG A 914 -12.940 5.436 2.478 1.00 0.00 H new ATOM 0 HG3 ARG A 914 -12.580 4.741 4.045 1.00 0.00 H new ATOM 0 HD2 ARG A 914 -11.490 6.892 4.741 1.00 0.00 H new ATOM 0 HD3 ARG A 914 -11.875 7.586 3.178 1.00 0.00 H new ATOM 0 HE ARG A 914 -14.084 7.910 3.877 1.00 0.00 H new ATOM 0 HH11 ARG A 914 -12.424 5.584 5.981 1.00 0.00 H new ATOM 0 HH12 ARG A 914 -13.747 5.505 7.149 1.00 0.00 H new ATOM 0 HH21 ARG A 914 -15.804 7.807 5.397 1.00 0.00 H new ATOM 0 HH22 ARG A 914 -15.665 6.766 6.817 1.00 0.00 H new ATOM 1259 N LYS A 915 -9.784 7.432 0.848 1.00 0.00 N ATOM 1260 CA LYS A 915 -9.792 8.834 0.480 1.00 0.00 C ATOM 1261 C LYS A 915 -9.686 8.972 -1.032 1.00 0.00 C ATOM 1262 O LYS A 915 -9.654 10.083 -1.556 1.00 0.00 O ATOM 1263 CB LYS A 915 -8.632 9.546 1.170 1.00 0.00 C ATOM 1264 CG LYS A 915 -8.883 9.586 2.674 1.00 0.00 C ATOM 1265 CD LYS A 915 -9.819 10.746 3.004 1.00 0.00 C ATOM 1266 CE LYS A 915 -10.234 10.664 4.470 1.00 0.00 C ATOM 1267 NZ LYS A 915 -9.643 11.764 5.248 1.00 0.00 N ATOM 0 H LYS A 915 -8.858 7.056 1.052 1.00 0.00 H new ATOM 0 HA LYS A 915 -10.727 9.293 0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 915 -7.696 9.028 0.960 1.00 0.00 H new ATOM 0 HB3 LYS A 915 -8.529 10.559 0.780 1.00 0.00 H new ATOM 0 HG2 LYS A 915 -9.322 8.645 3.005 1.00 0.00 H new ATOM 0 HG3 LYS A 915 -7.940 9.703 3.208 1.00 0.00 H new ATOM 0 HD2 LYS A 915 -9.321 11.696 2.809 1.00 0.00 H new ATOM 0 HD3 LYS A 915 -10.700 10.710 2.363 1.00 0.00 H new ATOM 0 HE2 LYS A 915 -11.321 10.703 4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 915 -9.919 9.708 4.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 915 -9.940 11.686 6.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 915 -8.606 11.711 5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 915 -9.964 12.674 4.861 1.00 0.00 H new ATOM 1281 N ARG A 916 -9.631 7.837 -1.734 1.00 0.00 N ATOM 1282 CA ARG A 916 -9.528 7.836 -3.179 1.00 0.00 C ATOM 1283 C ARG A 916 -8.350 8.697 -3.613 1.00 0.00 C ATOM 1284 O ARG A 916 -8.230 9.042 -4.787 1.00 0.00 O ATOM 1285 CB ARG A 916 -10.830 8.359 -3.781 1.00 0.00 C ATOM 1286 CG ARG A 916 -11.497 7.251 -4.590 1.00 0.00 C ATOM 1287 CD ARG A 916 -11.057 7.349 -6.048 1.00 0.00 C ATOM 1288 NE ARG A 916 -12.145 7.838 -6.894 1.00 0.00 N ATOM 1289 CZ ARG A 916 -12.291 7.471 -8.175 1.00 0.00 C ATOM 1290 NH1 ARG A 916 -11.418 6.620 -8.731 1.00 0.00 N ATOM 1291 NH2 ARG A 916 -13.309 7.955 -8.899 1.00 0.00 N ATOM 0 H ARG A 916 -9.657 6.908 -1.314 1.00 0.00 H new ATOM 0 HA ARG A 916 -9.360 6.819 -3.535 1.00 0.00 H new ATOM 0 HB2 ARG A 916 -11.498 8.699 -2.990 1.00 0.00 H new ATOM 0 HB3 ARG A 916 -10.628 9.219 -4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 916 -11.228 6.276 -4.183 1.00 0.00 H new ATOM 0 HG3 ARG A 916 -12.581 7.337 -4.520 1.00 0.00 H new ATOM 0 HD2 ARG A 916 -10.201 8.018 -6.128 1.00 0.00 H new ATOM 0 HD3 ARG A 916 -10.731 6.370 -6.399 1.00 0.00 H new ATOM 0 HE ARG A 916 -12.822 8.486 -6.492 1.00 0.00 H new ATOM 0 HH11 ARG A 916 -10.643 6.252 -8.180 1.00 0.00 H new ATOM 0 HH12 ARG A 916 -11.529 6.340 -9.706 1.00 0.00 H new ATOM 0 HH21 ARG A 916 -13.973 8.603 -8.476 1.00 0.00 H new ATOM 0 HH22 ARG A 916 -13.420 7.676 -9.874 1.00 0.00 H new ATOM 1305 N ARG A 917 -7.479 9.042 -2.662 1.00 0.00 N ATOM 1306 CA ARG A 917 -6.317 9.859 -2.949 1.00 0.00 C ATOM 1307 C ARG A 917 -5.260 9.647 -1.876 1.00 0.00 C ATOM 1308 O ARG A 917 -5.534 9.815 -0.690 1.00 0.00 O ATOM 1309 CB ARG A 917 -6.733 11.326 -3.016 1.00 0.00 C ATOM 1310 CG ARG A 917 -6.725 11.921 -1.611 1.00 0.00 C ATOM 1311 CD ARG A 917 -5.297 12.292 -1.222 1.00 0.00 C ATOM 1312 NE ARG A 917 -5.173 13.730 -0.985 1.00 0.00 N ATOM 1313 CZ ARG A 917 -4.830 14.598 -1.946 1.00 0.00 C ATOM 1314 NH1 ARG A 917 -4.585 14.159 -3.188 1.00 0.00 N ATOM 1315 NH2 ARG A 917 -4.733 15.905 -1.666 1.00 0.00 N ATOM 0 H ARG A 917 -7.565 8.762 -1.685 1.00 0.00 H new ATOM 0 HA ARG A 917 -5.893 9.570 -3.911 1.00 0.00 H new ATOM 0 HB2 ARG A 917 -6.051 11.880 -3.661 1.00 0.00 H new ATOM 0 HB3 ARG A 917 -7.727 11.414 -3.454 1.00 0.00 H new ATOM 0 HG2 ARG A 917 -7.364 12.804 -1.575 1.00 0.00 H new ATOM 0 HG3 ARG A 917 -7.132 11.203 -0.899 1.00 0.00 H new ATOM 0 HD2 ARG A 917 -5.008 11.746 -0.324 1.00 0.00 H new ATOM 0 HD3 ARG A 917 -4.611 11.990 -2.013 1.00 0.00 H new ATOM 0 HE ARG A 917 -5.356 14.087 -0.047 1.00 0.00 H new ATOM 0 HH11 ARG A 917 -4.660 13.164 -3.401 1.00 0.00 H new ATOM 0 HH12 ARG A 917 -4.324 14.819 -3.920 1.00 0.00 H new ATOM 0 HH21 ARG A 917 -4.920 16.239 -0.721 1.00 0.00 H new ATOM 0 HH22 ARG A 917 -4.472 16.565 -2.398 1.00 0.00 H new ATOM 1329 N LEU A 918 -4.047 9.276 -2.295 1.00 0.00 N ATOM 1330 CA LEU A 918 -2.956 9.043 -1.370 1.00 0.00 C ATOM 1331 C LEU A 918 -2.975 10.098 -0.273 1.00 0.00 C ATOM 1332 O LEU A 918 -2.969 11.294 -0.559 1.00 0.00 O ATOM 1333 CB LEU A 918 -1.632 9.074 -2.127 1.00 0.00 C ATOM 1334 CG LEU A 918 -1.472 7.783 -2.925 1.00 0.00 C ATOM 1335 CD1 LEU A 918 -2.102 6.627 -2.154 1.00 0.00 C ATOM 1336 CD2 LEU A 918 -2.165 7.931 -4.277 1.00 0.00 C ATOM 0 H LEU A 918 -3.804 9.132 -3.275 1.00 0.00 H new ATOM 0 HA LEU A 918 -3.071 8.063 -0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 918 -1.604 9.934 -2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 918 -0.804 9.187 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 918 -0.412 7.581 -3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 918 -1.988 5.705 -2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 918 -1.607 6.521 -1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 918 -3.162 6.828 -1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 918 -2.051 7.009 -4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 918 -3.225 8.133 -4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 918 -1.715 8.757 -4.828 1.00 0.00 H new ATOM 1348 N VAL A 919 -2.997 9.653 0.985 1.00 0.00 N ATOM 1349 CA VAL A 919 -3.016 10.558 2.117 1.00 0.00 C ATOM 1350 C VAL A 919 -1.622 10.659 2.719 1.00 0.00 C ATOM 1351 O VAL A 919 -0.636 10.329 2.064 1.00 0.00 O ATOM 1352 CB VAL A 919 -4.018 10.055 3.152 1.00 0.00 C ATOM 1353 CG1 VAL A 919 -5.107 9.245 2.456 1.00 0.00 C ATOM 1354 CG2 VAL A 919 -3.299 9.173 4.169 1.00 0.00 C ATOM 0 H VAL A 919 -3.002 8.665 1.238 1.00 0.00 H new ATOM 0 HA VAL A 919 -3.321 11.552 1.789 1.00 0.00 H new ATOM 0 HB VAL A 919 -4.470 10.905 3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 919 -5.822 8.886 3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 919 -5.621 9.875 1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 919 -4.657 8.394 1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 919 -4.014 8.813 4.909 1.00 0.00 H new ATOM 0 HG22 VAL A 919 -2.847 8.323 3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 919 -2.522 9.752 4.668 1.00 0.00 H new ATOM 1364 N ALA A 920 -1.542 11.115 3.971 1.00 0.00 N ATOM 1365 CA ALA A 920 -0.272 11.257 4.654 1.00 0.00 C ATOM 1366 C ALA A 920 0.269 9.884 5.027 1.00 0.00 C ATOM 1367 O ALA A 920 -0.310 9.194 5.863 1.00 0.00 O ATOM 1368 CB ALA A 920 -0.458 12.122 5.897 1.00 0.00 C ATOM 0 H ALA A 920 -2.351 11.391 4.527 1.00 0.00 H new ATOM 0 HA ALA A 920 0.448 11.742 3.995 1.00 0.00 H new ATOM 0 HB1 ALA A 920 0.497 12.230 6.412 1.00 0.00 H new ATOM 0 HB2 ALA A 920 -0.825 13.106 5.604 1.00 0.00 H new ATOM 0 HB3 ALA A 920 -1.179 11.650 6.564 1.00 0.00 H new ATOM 1374 N PRO A 921 1.382 9.490 4.404 1.00 0.00 N ATOM 1375 CA PRO A 921 2.038 8.221 4.633 1.00 0.00 C ATOM 1376 C PRO A 921 2.720 8.236 5.993 1.00 0.00 C ATOM 1377 O PRO A 921 3.464 9.162 6.307 1.00 0.00 O ATOM 1378 CB PRO A 921 3.064 8.103 3.507 1.00 0.00 C ATOM 1379 CG PRO A 921 3.422 9.560 3.222 1.00 0.00 C ATOM 1380 CD PRO A 921 2.088 10.277 3.417 1.00 0.00 C ATOM 0 HA PRO A 921 1.345 7.379 4.634 1.00 0.00 H new ATOM 0 HB2 PRO A 921 3.936 7.525 3.813 1.00 0.00 H new ATOM 0 HB3 PRO A 921 2.646 7.610 2.629 1.00 0.00 H new ATOM 0 HG2 PRO A 921 4.185 9.931 3.906 1.00 0.00 H new ATOM 0 HG3 PRO A 921 3.809 9.692 2.212 1.00 0.00 H new ATOM 0 HD2 PRO A 921 2.236 11.301 3.761 1.00 0.00 H new ATOM 0 HD3 PRO A 921 1.529 10.332 2.483 1.00 0.00 H new ATOM 1388 N CYS A 922 2.463 7.205 6.802 1.00 0.00 N ATOM 1389 CA CYS A 922 3.048 7.100 8.123 1.00 0.00 C ATOM 1390 C CYS A 922 2.847 5.689 8.659 1.00 0.00 C ATOM 1391 O CYS A 922 3.466 5.307 9.650 1.00 0.00 O ATOM 1392 CB CYS A 922 2.403 8.128 9.048 1.00 0.00 C ATOM 1393 SG CYS A 922 3.577 8.546 10.361 1.00 0.00 S ATOM 0 H CYS A 922 1.848 6.430 6.554 1.00 0.00 H new ATOM 0 HA CYS A 922 4.118 7.301 8.071 1.00 0.00 H new ATOM 0 HB2 CYS A 922 2.130 9.022 8.487 1.00 0.00 H new ATOM 0 HB3 CYS A 922 1.484 7.727 9.476 1.00 0.00 H new ATOM 0 HG CYS A 922 3.043 9.424 11.158 1.00 0.00 H new TER 1399 CYS A 922