USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 689 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 855 ARGHH11 : A 855 ARG NH1 : A 889 THR OG1 :(H bumps) USER MOD NoAdj-H: A 890 HIS H : A 890 HIS N : A 855 ARG O :(H bumps) USER MOD NoAdj-H: A 913 ILE H : A 913 ILE N : A 850 ILE CG2 :(H bumps) USER MOD Single : A 840 THR OG1 : rot 180:sc= 0 USER MOD Single : A 842 CYS SG : rot 67:sc= 0.7 USER MOD Single : A 843 GLN : amide:sc= -0.473 K(o=-0.47,f=-3.7!) USER MOD Single : A 844 THR OG1 : rot 180:sc= 0 USER MOD Single : A 845 LYS NZ :NH3+ -139:sc= -6.9! (180deg=-9.63!) USER MOD Single : A 852 THR OG1 : rot 180:sc= 0 USER MOD Single : A 857 TYR OH : rot 180:sc= -0.152 USER MOD Single : A 861 SER OG : rot 180:sc= 0 USER MOD Single : A 862 THR OG1 : rot -100:sc= -1.5! USER MOD Single : A 866 SER OG : rot 180:sc= 0 USER MOD Single : A 881 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 885 MET CE :methyl 141:sc= -17.7! (180deg=-26.3!) USER MOD Single : A 886 THR OG1 : rot 180:sc= -0.541 USER MOD Single : A 887 SER OG : rot 180:sc= 0 USER MOD Single : A 890 HIS : no HD1:sc= -18.7! C(o=-19!,f=-21!) USER MOD Single : A 894 SER OG : rot 180:sc= 0 USER MOD Single : A 897 LYS NZ :NH3+ 150:sc= -17.7! (180deg=-18.4!) USER MOD Single : A 898 ASN : amide:sc= -31.6! C(o=-32!,f=-40!) USER MOD Single : A 902 GLN : amide:sc= -1.91 K(o=-1.9,f=-0.63) USER MOD Single : A 903 GLN : amide:sc= -9.69! C(o=-9.7!,f=-15!) USER MOD Single : A 905 SER OG : rot 163:sc= -1.69! USER MOD Single : A 912 CYS SG : rot -176:sc= -14.5! USER MOD Single : A 915 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 922 CYS SG : rot -62:sc= 0.97 USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 837 -9.937 -2.923 6.458 1.00 0.00 N ATOM 20 CA ALA A 837 -9.906 -3.936 5.422 1.00 0.00 C ATOM 21 C ALA A 837 -11.290 -4.548 5.257 1.00 0.00 C ATOM 22 O ALA A 837 -12.043 -4.153 4.370 1.00 0.00 O ATOM 23 CB ALA A 837 -8.881 -5.006 5.788 1.00 0.00 C ATOM 0 HA ALA A 837 -9.616 -3.483 4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -8.857 -5.768 5.009 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -7.895 -4.550 5.879 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -9.158 -5.465 6.737 1.00 0.00 H new ATOM 29 N ASP A 838 -11.623 -5.514 6.116 1.00 0.00 N ATOM 30 CA ASP A 838 -12.911 -6.175 6.060 1.00 0.00 C ATOM 31 C ASP A 838 -13.995 -5.162 5.720 1.00 0.00 C ATOM 32 O ASP A 838 -14.905 -5.459 4.950 1.00 0.00 O ATOM 33 CB ASP A 838 -13.197 -6.844 7.401 1.00 0.00 C ATOM 34 CG ASP A 838 -12.551 -8.221 7.471 1.00 0.00 C ATOM 35 OD1 ASP A 838 -12.875 -9.045 6.589 1.00 0.00 O ATOM 36 OD2 ASP A 838 -11.745 -8.423 8.405 1.00 0.00 O ATOM 0 H ASP A 838 -11.010 -5.851 6.858 1.00 0.00 H new ATOM 0 HA ASP A 838 -12.899 -6.940 5.283 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -12.820 -6.220 8.211 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -14.274 -6.936 7.544 1.00 0.00 H new ATOM 41 N GLU A 839 -13.897 -3.962 6.298 1.00 0.00 N ATOM 42 CA GLU A 839 -14.868 -2.916 6.051 1.00 0.00 C ATOM 43 C GLU A 839 -14.583 -2.247 4.713 1.00 0.00 C ATOM 44 O GLU A 839 -15.499 -1.774 4.045 1.00 0.00 O ATOM 45 CB GLU A 839 -14.817 -1.898 7.186 1.00 0.00 C ATOM 46 CG GLU A 839 -16.070 -2.031 8.046 1.00 0.00 C ATOM 47 CD GLU A 839 -16.956 -0.800 7.910 1.00 0.00 C ATOM 48 OE1 GLU A 839 -17.139 -0.359 6.755 1.00 0.00 O ATOM 49 OE2 GLU A 839 -17.432 -0.325 8.963 1.00 0.00 O ATOM 0 H GLU A 839 -13.150 -3.699 6.940 1.00 0.00 H new ATOM 0 HA GLU A 839 -15.868 -3.348 6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 839 -13.927 -2.060 7.794 1.00 0.00 H new ATOM 0 HB3 GLU A 839 -14.747 -0.889 6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 839 -16.627 -2.920 7.749 1.00 0.00 H new ATOM 0 HG3 GLU A 839 -15.787 -2.167 9.090 1.00 0.00 H new ATOM 56 N THR A 840 -13.307 -2.209 4.323 1.00 0.00 N ATOM 57 CA THR A 840 -12.912 -1.600 3.069 1.00 0.00 C ATOM 58 C THR A 840 -12.961 -2.634 1.953 1.00 0.00 C ATOM 59 O THR A 840 -13.432 -2.344 0.855 1.00 0.00 O ATOM 60 CB THR A 840 -11.507 -1.020 3.206 1.00 0.00 C ATOM 61 OG1 THR A 840 -11.418 -0.284 4.406 1.00 0.00 O ATOM 62 CG2 THR A 840 -11.218 -0.101 2.023 1.00 0.00 C ATOM 0 H THR A 840 -12.534 -2.596 4.865 1.00 0.00 H new ATOM 0 HA THR A 840 -13.602 -0.794 2.820 1.00 0.00 H new ATOM 0 HB THR A 840 -10.779 -1.831 3.222 1.00 0.00 H new ATOM 0 HG1 THR A 840 -10.516 0.087 4.496 1.00 0.00 H new ATOM 0 HG21 THR A 840 -10.215 0.313 2.121 1.00 0.00 H new ATOM 0 HG22 THR A 840 -11.287 -0.669 1.095 1.00 0.00 H new ATOM 0 HG23 THR A 840 -11.946 0.710 2.006 1.00 0.00 H new ATOM 70 N LEU A 841 -12.473 -3.844 2.236 1.00 0.00 N ATOM 71 CA LEU A 841 -12.464 -4.913 1.258 1.00 0.00 C ATOM 72 C LEU A 841 -13.873 -5.459 1.076 1.00 0.00 C ATOM 73 O LEU A 841 -14.083 -6.400 0.314 1.00 0.00 O ATOM 74 CB LEU A 841 -11.513 -6.015 1.719 1.00 0.00 C ATOM 75 CG LEU A 841 -10.691 -6.507 0.532 1.00 0.00 C ATOM 76 CD1 LEU A 841 -11.459 -6.247 -0.761 1.00 0.00 C ATOM 77 CD2 LEU A 841 -9.360 -5.763 0.492 1.00 0.00 C ATOM 0 H LEU A 841 -12.079 -4.100 3.141 1.00 0.00 H new ATOM 0 HA LEU A 841 -12.118 -4.529 0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 841 -10.853 -5.637 2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 841 -12.078 -6.841 2.151 1.00 0.00 H new ATOM 0 HG LEU A 841 -10.506 -7.576 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 841 -10.872 -6.598 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 841 -12.410 -6.779 -0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 841 -11.644 -5.178 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 841 -8.772 -6.114 -0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 841 -9.544 -4.694 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 841 -8.811 -5.949 1.415 1.00 0.00 H new ATOM 89 N CYS A 842 -14.839 -4.863 1.778 1.00 0.00 N ATOM 90 CA CYS A 842 -16.223 -5.285 1.694 1.00 0.00 C ATOM 91 C CYS A 842 -16.727 -5.099 0.270 1.00 0.00 C ATOM 92 O CYS A 842 -17.861 -5.457 -0.040 1.00 0.00 O ATOM 93 CB CYS A 842 -17.063 -4.474 2.677 1.00 0.00 C ATOM 94 SG CYS A 842 -17.509 -5.536 4.073 1.00 0.00 S ATOM 0 H CYS A 842 -14.678 -4.081 2.413 1.00 0.00 H new ATOM 0 HA CYS A 842 -16.305 -6.340 1.955 1.00 0.00 H new ATOM 0 HB2 CYS A 842 -16.503 -3.606 3.026 1.00 0.00 H new ATOM 0 HB3 CYS A 842 -17.961 -4.098 2.186 1.00 0.00 H new ATOM 0 HG CYS A 842 -16.438 -5.847 4.741 1.00 0.00 H new ATOM 100 N GLN A 843 -15.881 -4.538 -0.598 1.00 0.00 N ATOM 101 CA GLN A 843 -16.247 -4.308 -1.981 1.00 0.00 C ATOM 102 C GLN A 843 -15.362 -5.144 -2.896 1.00 0.00 C ATOM 103 O GLN A 843 -14.398 -4.635 -3.464 1.00 0.00 O ATOM 104 CB GLN A 843 -16.107 -2.823 -2.302 1.00 0.00 C ATOM 105 CG GLN A 843 -16.551 -1.997 -1.098 1.00 0.00 C ATOM 106 CD GLN A 843 -17.742 -1.118 -1.452 1.00 0.00 C ATOM 107 OE1 GLN A 843 -18.158 -1.069 -2.607 1.00 0.00 O ATOM 108 NE2 GLN A 843 -18.290 -0.423 -0.453 1.00 0.00 N ATOM 0 H GLN A 843 -14.937 -4.237 -0.358 1.00 0.00 H new ATOM 0 HA GLN A 843 -17.283 -4.605 -2.141 1.00 0.00 H new ATOM 0 HB2 GLN A 843 -15.072 -2.591 -2.554 1.00 0.00 H new ATOM 0 HB3 GLN A 843 -16.712 -2.570 -3.173 1.00 0.00 H new ATOM 0 HG2 GLN A 843 -16.815 -2.660 -0.274 1.00 0.00 H new ATOM 0 HG3 GLN A 843 -15.725 -1.375 -0.754 1.00 0.00 H new ATOM 0 HE21 GLN A 843 -17.908 -0.498 0.490 1.00 0.00 H new ATOM 0 HE22 GLN A 843 -19.091 0.183 -0.632 1.00 0.00 H new ATOM 117 N THR A 844 -15.691 -6.430 -3.038 1.00 0.00 N ATOM 118 CA THR A 844 -14.925 -7.323 -3.883 1.00 0.00 C ATOM 119 C THR A 844 -13.464 -7.315 -3.455 1.00 0.00 C ATOM 120 O THR A 844 -13.020 -8.208 -2.736 1.00 0.00 O ATOM 121 CB THR A 844 -15.064 -6.888 -5.339 1.00 0.00 C ATOM 122 OG1 THR A 844 -15.609 -7.947 -6.095 1.00 0.00 O ATOM 123 CG2 THR A 844 -13.691 -6.521 -5.894 1.00 0.00 C ATOM 0 H THR A 844 -16.486 -6.869 -2.574 1.00 0.00 H new ATOM 0 HA THR A 844 -15.306 -8.339 -3.782 1.00 0.00 H new ATOM 0 HB THR A 844 -15.723 -6.022 -5.398 1.00 0.00 H new ATOM 0 HG1 THR A 844 -15.700 -7.668 -7.030 1.00 0.00 H new ATOM 0 HG21 THR A 844 -13.790 -6.210 -6.934 1.00 0.00 H new ATOM 0 HG22 THR A 844 -13.269 -5.703 -5.310 1.00 0.00 H new ATOM 0 HG23 THR A 844 -13.032 -7.387 -5.835 1.00 0.00 H new ATOM 131 N LYS A 845 -12.716 -6.303 -3.900 1.00 0.00 N ATOM 132 CA LYS A 845 -11.312 -6.185 -3.562 1.00 0.00 C ATOM 133 C LYS A 845 -10.951 -4.721 -3.354 1.00 0.00 C ATOM 134 O LYS A 845 -9.802 -4.399 -3.059 1.00 0.00 O ATOM 135 CB LYS A 845 -10.468 -6.797 -4.676 1.00 0.00 C ATOM 136 CG LYS A 845 -9.393 -7.692 -4.066 1.00 0.00 C ATOM 137 CD LYS A 845 -10.045 -8.706 -3.131 1.00 0.00 C ATOM 138 CE LYS A 845 -9.647 -8.400 -1.690 1.00 0.00 C ATOM 139 NZ LYS A 845 -8.443 -9.153 -1.304 1.00 0.00 N ATOM 0 H LYS A 845 -13.069 -5.555 -4.497 1.00 0.00 H new ATOM 0 HA LYS A 845 -11.112 -6.722 -2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 845 -11.100 -7.376 -5.349 1.00 0.00 H new ATOM 0 HB3 LYS A 845 -10.006 -6.009 -5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 845 -8.845 -8.208 -4.854 1.00 0.00 H new ATOM 0 HG3 LYS A 845 -8.670 -7.088 -3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 845 -11.129 -8.668 -3.236 1.00 0.00 H new ATOM 0 HD3 LYS A 845 -9.734 -9.716 -3.399 1.00 0.00 H new ATOM 0 HE2 LYS A 845 -9.463 -7.331 -1.579 1.00 0.00 H new ATOM 0 HE3 LYS A 845 -10.469 -8.653 -1.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 -8.554 -9.512 -0.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 -8.310 -9.953 -1.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 -7.613 -8.528 -1.349 1.00 0.00 H new ATOM 153 N VAL A 846 -11.936 -3.834 -3.509 1.00 0.00 N ATOM 154 CA VAL A 846 -11.719 -2.411 -3.338 1.00 0.00 C ATOM 155 C VAL A 846 -10.374 -2.021 -3.935 1.00 0.00 C ATOM 156 O VAL A 846 -9.332 -2.484 -3.477 1.00 0.00 O ATOM 157 CB VAL A 846 -11.774 -2.064 -1.854 1.00 0.00 C ATOM 158 CG1 VAL A 846 -13.158 -1.523 -1.508 1.00 0.00 C ATOM 159 CG2 VAL A 846 -11.496 -3.316 -1.028 1.00 0.00 C ATOM 0 H VAL A 846 -12.894 -4.086 -3.754 1.00 0.00 H new ATOM 0 HA VAL A 846 -12.500 -1.854 -3.856 1.00 0.00 H new ATOM 0 HB VAL A 846 -11.022 -1.307 -1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -13.197 -1.275 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -13.357 -0.628 -2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -13.911 -2.279 -1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -11.535 -3.068 0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -12.247 -4.074 -1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -10.507 -3.702 -1.274 1.00 0.00 H new ATOM 169 N LEU A 847 -10.400 -1.165 -4.960 1.00 0.00 N ATOM 170 CA LEU A 847 -9.186 -0.717 -5.612 1.00 0.00 C ATOM 171 C LEU A 847 -9.413 0.648 -6.246 1.00 0.00 C ATOM 172 O LEU A 847 -9.729 0.740 -7.431 1.00 0.00 O ATOM 173 CB LEU A 847 -8.768 -1.739 -6.666 1.00 0.00 C ATOM 174 CG LEU A 847 -8.926 -3.147 -6.099 1.00 0.00 C ATOM 175 CD1 LEU A 847 -7.982 -3.328 -4.914 1.00 0.00 C ATOM 176 CD2 LEU A 847 -10.367 -3.352 -5.638 1.00 0.00 C ATOM 0 H LEU A 847 -11.256 -0.772 -5.351 1.00 0.00 H new ATOM 0 HA LEU A 847 -8.387 -0.625 -4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 847 -9.379 -1.625 -7.561 1.00 0.00 H new ATOM 0 HB3 LEU A 847 -7.733 -1.569 -6.963 1.00 0.00 H new ATOM 0 HG LEU A 847 -8.684 -3.878 -6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 847 -8.095 -4.334 -4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 847 -6.953 -3.183 -5.243 1.00 0.00 H new ATOM 0 HD13 LEU A 847 -8.223 -2.597 -4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 847 -10.480 -4.358 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 847 -10.610 -2.621 -4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 847 -11.042 -3.224 -6.485 1.00 0.00 H new ATOM 188 N LEU A 848 -9.253 1.710 -5.453 1.00 0.00 N ATOM 189 CA LEU A 848 -9.441 3.062 -5.939 1.00 0.00 C ATOM 190 C LEU A 848 -8.093 3.677 -6.291 1.00 0.00 C ATOM 191 O LEU A 848 -7.055 3.042 -6.118 1.00 0.00 O ATOM 192 CB LEU A 848 -10.150 3.891 -4.872 1.00 0.00 C ATOM 193 CG LEU A 848 -11.633 4.003 -5.218 1.00 0.00 C ATOM 194 CD1 LEU A 848 -12.450 4.093 -3.932 1.00 0.00 C ATOM 195 CD2 LEU A 848 -11.866 5.255 -6.059 1.00 0.00 C ATOM 0 H LEU A 848 -8.992 1.650 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 848 -10.057 3.046 -6.838 1.00 0.00 H new ATOM 0 HB2 LEU A 848 -10.028 3.426 -3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 848 -9.704 4.884 -4.811 1.00 0.00 H new ATOM 0 HG LEU A 848 -11.942 3.124 -5.783 1.00 0.00 H new ATOM 0 HD11 LEU A 848 -13.509 4.173 -4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 848 -12.284 3.198 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 848 -12.142 4.972 -3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 848 -12.925 5.335 -6.306 1.00 0.00 H new ATOM 0 HD22 LEU A 848 -11.557 6.135 -5.495 1.00 0.00 H new ATOM 0 HD23 LEU A 848 -11.283 5.190 -6.978 1.00 0.00 H new ATOM 207 N ASP A 849 -8.112 4.916 -6.786 1.00 0.00 N ATOM 208 CA ASP A 849 -6.895 5.608 -7.160 1.00 0.00 C ATOM 209 C ASP A 849 -6.189 6.119 -5.912 1.00 0.00 C ATOM 210 O ASP A 849 -5.766 7.271 -5.864 1.00 0.00 O ATOM 211 CB ASP A 849 -7.235 6.762 -8.099 1.00 0.00 C ATOM 212 CG ASP A 849 -7.566 6.248 -9.493 1.00 0.00 C ATOM 213 OD1 ASP A 849 -8.396 5.317 -9.573 1.00 0.00 O ATOM 214 OD2 ASP A 849 -6.982 6.796 -10.453 1.00 0.00 O ATOM 0 H ASP A 849 -8.965 5.456 -6.934 1.00 0.00 H new ATOM 0 HA ASP A 849 -6.225 4.921 -7.677 1.00 0.00 H new ATOM 0 HB2 ASP A 849 -8.082 7.321 -7.702 1.00 0.00 H new ATOM 0 HB3 ASP A 849 -6.394 7.453 -8.152 1.00 0.00 H new ATOM 219 N ILE A 850 -6.063 5.256 -4.900 1.00 0.00 N ATOM 220 CA ILE A 850 -5.410 5.621 -3.659 1.00 0.00 C ATOM 221 C ILE A 850 -3.912 5.769 -3.890 1.00 0.00 C ATOM 222 O ILE A 850 -3.438 6.852 -4.225 1.00 0.00 O ATOM 223 CB ILE A 850 -5.693 4.556 -2.604 1.00 0.00 C ATOM 224 CG1 ILE A 850 -6.767 3.602 -3.118 1.00 0.00 C ATOM 225 CG2 ILE A 850 -6.179 5.227 -1.322 1.00 0.00 C ATOM 226 CD1 ILE A 850 -8.140 4.247 -2.955 1.00 0.00 C ATOM 0 H ILE A 850 -6.410 4.297 -4.925 1.00 0.00 H new ATOM 0 HA ILE A 850 -5.799 6.576 -3.305 1.00 0.00 H new ATOM 0 HB ILE A 850 -4.780 3.997 -2.398 1.00 0.00 H new ATOM 0 HG12 ILE A 850 -6.587 3.365 -4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 850 -6.727 2.662 -2.568 1.00 0.00 H new ATOM 0 HG21 ILE A 850 -6.381 4.467 -0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 850 -5.411 5.908 -0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 850 -7.092 5.786 -1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 850 -8.908 3.566 -3.322 1.00 0.00 H new ATOM 0 HD12 ILE A 850 -8.319 4.461 -1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 850 -8.176 5.175 -3.525 1.00 0.00 H new ATOM 238 N PHE A 851 -3.167 4.676 -3.709 1.00 0.00 N ATOM 239 CA PHE A 851 -1.730 4.693 -3.899 1.00 0.00 C ATOM 240 C PHE A 851 -1.404 5.078 -5.335 1.00 0.00 C ATOM 241 O PHE A 851 -0.319 4.778 -5.829 1.00 0.00 O ATOM 242 CB PHE A 851 -1.159 3.318 -3.564 1.00 0.00 C ATOM 243 CG PHE A 851 -1.804 2.673 -2.361 1.00 0.00 C ATOM 244 CD1 PHE A 851 -1.787 3.327 -1.123 1.00 0.00 C ATOM 245 CD2 PHE A 851 -2.422 1.423 -2.484 1.00 0.00 C ATOM 246 CE1 PHE A 851 -2.388 2.730 -0.008 1.00 0.00 C ATOM 247 CE2 PHE A 851 -3.022 0.826 -1.369 1.00 0.00 C ATOM 248 CZ PHE A 851 -3.005 1.480 -0.131 1.00 0.00 C ATOM 0 H PHE A 851 -3.544 3.770 -3.430 1.00 0.00 H new ATOM 0 HA PHE A 851 -1.279 5.431 -3.236 1.00 0.00 H new ATOM 0 HB2 PHE A 851 -1.281 2.663 -4.427 1.00 0.00 H new ATOM 0 HB3 PHE A 851 -0.088 3.412 -3.385 1.00 0.00 H new ATOM 0 HD1 PHE A 851 -1.311 4.292 -1.028 1.00 0.00 H new ATOM 0 HD2 PHE A 851 -2.436 0.919 -3.439 1.00 0.00 H new ATOM 0 HE1 PHE A 851 -2.375 3.234 0.947 1.00 0.00 H new ATOM 0 HE2 PHE A 851 -3.498 -0.139 -1.464 1.00 0.00 H new ATOM 0 HZ PHE A 851 -3.468 1.020 0.729 1.00 0.00 H new ATOM 258 N THR A 852 -2.345 5.746 -6.005 1.00 0.00 N ATOM 259 CA THR A 852 -2.148 6.168 -7.378 1.00 0.00 C ATOM 260 C THR A 852 -0.712 6.630 -7.577 1.00 0.00 C ATOM 261 O THR A 852 -0.344 7.722 -7.149 1.00 0.00 O ATOM 262 CB THR A 852 -3.129 7.289 -7.710 1.00 0.00 C ATOM 263 OG1 THR A 852 -3.568 7.149 -9.042 1.00 0.00 O ATOM 264 CG2 THR A 852 -2.435 8.638 -7.542 1.00 0.00 C ATOM 0 H THR A 852 -3.250 6.003 -5.611 1.00 0.00 H new ATOM 0 HA THR A 852 -2.333 5.330 -8.050 1.00 0.00 H new ATOM 0 HB THR A 852 -3.985 7.235 -7.037 1.00 0.00 H new ATOM 0 HG1 THR A 852 -4.199 7.867 -9.256 1.00 0.00 H new ATOM 0 HG21 THR A 852 -3.135 9.439 -7.779 1.00 0.00 H new ATOM 0 HG22 THR A 852 -2.095 8.746 -6.512 1.00 0.00 H new ATOM 0 HG23 THR A 852 -1.579 8.693 -8.215 1.00 0.00 H new ATOM 272 N GLY A 853 0.100 5.797 -8.231 1.00 0.00 N ATOM 273 CA GLY A 853 1.488 6.127 -8.482 1.00 0.00 C ATOM 274 C GLY A 853 2.303 5.987 -7.204 1.00 0.00 C ATOM 275 O GLY A 853 3.473 6.363 -7.165 1.00 0.00 O ATOM 0 H GLY A 853 -0.189 4.889 -8.594 1.00 0.00 H new ATOM 0 HA2 GLY A 853 1.892 5.470 -9.253 1.00 0.00 H new ATOM 0 HA3 GLY A 853 1.564 7.146 -8.860 1.00 0.00 H new ATOM 279 N VAL A 854 1.681 5.443 -6.155 1.00 0.00 N ATOM 280 CA VAL A 854 2.349 5.255 -4.883 1.00 0.00 C ATOM 281 C VAL A 854 3.027 3.893 -4.853 1.00 0.00 C ATOM 282 O VAL A 854 2.361 2.869 -4.719 1.00 0.00 O ATOM 283 CB VAL A 854 1.331 5.377 -3.752 1.00 0.00 C ATOM 284 CG1 VAL A 854 1.943 4.854 -2.457 1.00 0.00 C ATOM 285 CG2 VAL A 854 0.941 6.842 -3.575 1.00 0.00 C ATOM 0 H VAL A 854 0.711 5.127 -6.171 1.00 0.00 H new ATOM 0 HA VAL A 854 3.112 6.022 -4.752 1.00 0.00 H new ATOM 0 HB VAL A 854 0.445 4.791 -3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 854 1.216 4.941 -1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 854 2.222 3.808 -2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 854 2.830 5.439 -2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 854 0.214 6.930 -2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 854 1.827 7.428 -3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 854 0.503 7.216 -4.500 1.00 0.00 H new ATOM 295 N ARG A 855 4.356 3.883 -4.978 1.00 0.00 N ATOM 296 CA ARG A 855 5.116 2.650 -4.966 1.00 0.00 C ATOM 297 C ARG A 855 5.620 2.369 -3.558 1.00 0.00 C ATOM 298 O ARG A 855 6.735 2.751 -3.207 1.00 0.00 O ATOM 299 CB ARG A 855 6.282 2.763 -5.944 1.00 0.00 C ATOM 300 CG ARG A 855 7.441 3.493 -5.272 1.00 0.00 C ATOM 301 CD ARG A 855 8.400 4.016 -6.338 1.00 0.00 C ATOM 302 NE ARG A 855 7.679 4.748 -7.380 1.00 0.00 N ATOM 303 CZ ARG A 855 7.875 6.052 -7.618 1.00 0.00 C ATOM 304 NH1 ARG A 855 8.763 6.741 -6.887 1.00 0.00 N ATOM 305 NH2 ARG A 855 7.182 6.668 -8.586 1.00 0.00 N ATOM 0 H ARG A 855 4.922 4.724 -5.089 1.00 0.00 H new ATOM 0 HA ARG A 855 4.478 1.822 -5.275 1.00 0.00 H new ATOM 0 HB2 ARG A 855 6.600 1.771 -6.264 1.00 0.00 H new ATOM 0 HB3 ARG A 855 5.969 3.301 -6.839 1.00 0.00 H new ATOM 0 HG2 ARG A 855 7.064 4.320 -4.670 1.00 0.00 H new ATOM 0 HG3 ARG A 855 7.966 2.819 -4.595 1.00 0.00 H new ATOM 0 HD2 ARG A 855 9.141 4.669 -5.877 1.00 0.00 H new ATOM 0 HD3 ARG A 855 8.943 3.183 -6.784 1.00 0.00 H new ATOM 0 HE ARG A 855 6.999 4.244 -7.949 1.00 0.00 H new ATOM 0 HH12 ARG A 855 8.912 7.734 -7.068 1.00 0.00 H new ATOM 0 HH21 ARG A 855 6.506 6.144 -9.141 1.00 0.00 H new ATOM 0 HH22 ARG A 855 7.331 7.661 -8.767 1.00 0.00 H new ATOM 319 N LEU A 856 4.796 1.698 -2.750 1.00 0.00 N ATOM 320 CA LEU A 856 5.160 1.369 -1.386 1.00 0.00 C ATOM 321 C LEU A 856 5.576 -0.092 -1.301 1.00 0.00 C ATOM 322 O LEU A 856 4.931 -0.959 -1.887 1.00 0.00 O ATOM 323 CB LEU A 856 3.979 1.650 -0.462 1.00 0.00 C ATOM 324 CG LEU A 856 3.271 0.340 -0.129 1.00 0.00 C ATOM 325 CD1 LEU A 856 4.293 -0.677 0.372 1.00 0.00 C ATOM 326 CD2 LEU A 856 2.226 0.588 0.954 1.00 0.00 C ATOM 0 H LEU A 856 3.869 1.374 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 856 6.003 1.985 -1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 856 4.326 2.131 0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 856 3.284 2.340 -0.942 1.00 0.00 H new ATOM 0 HG LEU A 856 2.782 -0.047 -1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 856 3.788 -1.613 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 856 5.040 -0.854 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 856 4.782 -0.291 1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 856 1.720 -0.347 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 856 2.714 0.975 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 856 1.496 1.314 0.596 1.00 0.00 H new ATOM 338 N TYR A 857 6.657 -0.366 -0.567 1.00 0.00 N ATOM 339 CA TYR A 857 7.151 -1.719 -0.412 1.00 0.00 C ATOM 340 C TYR A 857 6.270 -2.481 0.568 1.00 0.00 C ATOM 341 O TYR A 857 6.401 -2.319 1.779 1.00 0.00 O ATOM 342 CB TYR A 857 8.596 -1.678 0.079 1.00 0.00 C ATOM 343 CG TYR A 857 8.899 -2.701 1.147 1.00 0.00 C ATOM 344 CD1 TYR A 857 8.564 -4.045 0.945 1.00 0.00 C ATOM 345 CD2 TYR A 857 9.514 -2.305 2.341 1.00 0.00 C ATOM 346 CE1 TYR A 857 8.845 -4.994 1.935 1.00 0.00 C ATOM 347 CE2 TYR A 857 9.795 -3.254 3.332 1.00 0.00 C ATOM 348 CZ TYR A 857 9.461 -4.598 3.129 1.00 0.00 C ATOM 349 OH TYR A 857 9.735 -5.522 4.093 1.00 0.00 O ATOM 0 H TYR A 857 7.202 0.340 -0.073 1.00 0.00 H new ATOM 0 HA TYR A 857 7.121 -2.234 -1.372 1.00 0.00 H new ATOM 0 HB2 TYR A 857 9.264 -1.840 -0.767 1.00 0.00 H new ATOM 0 HB3 TYR A 857 8.811 -0.683 0.469 1.00 0.00 H new ATOM 0 HD1 TYR A 857 8.088 -4.350 0.025 1.00 0.00 H new ATOM 0 HD2 TYR A 857 9.772 -1.268 2.498 1.00 0.00 H new ATOM 0 HE1 TYR A 857 8.587 -6.031 1.778 1.00 0.00 H new ATOM 0 HE2 TYR A 857 10.269 -2.949 4.253 1.00 0.00 H new ATOM 0 HH TYR A 857 10.164 -5.081 4.856 1.00 0.00 H new ATOM 359 N LEU A 858 5.371 -3.315 0.040 1.00 0.00 N ATOM 360 CA LEU A 858 4.474 -4.097 0.868 1.00 0.00 C ATOM 361 C LEU A 858 5.185 -5.350 1.358 1.00 0.00 C ATOM 362 O LEU A 858 5.503 -6.236 0.567 1.00 0.00 O ATOM 363 CB LEU A 858 3.229 -4.460 0.066 1.00 0.00 C ATOM 364 CG LEU A 858 2.221 -5.153 0.978 1.00 0.00 C ATOM 365 CD1 LEU A 858 2.568 -4.862 2.435 1.00 0.00 C ATOM 366 CD2 LEU A 858 0.819 -4.632 0.675 1.00 0.00 C ATOM 0 H LEU A 858 5.251 -3.461 -0.962 1.00 0.00 H new ATOM 0 HA LEU A 858 4.172 -3.512 1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 858 2.787 -3.562 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 858 3.496 -5.115 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 858 2.254 -6.229 0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 858 1.848 -5.357 3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 858 3.569 -5.234 2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 858 2.535 -3.786 2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 858 0.098 -5.127 1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 858 0.785 -3.556 0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 858 0.570 -4.840 -0.366 1.00 0.00 H new ATOM 378 N PRO A 859 5.434 -5.424 2.668 1.00 0.00 N ATOM 379 CA PRO A 859 6.097 -6.538 3.311 1.00 0.00 C ATOM 380 C PRO A 859 5.160 -7.736 3.350 1.00 0.00 C ATOM 381 O PRO A 859 3.949 -7.576 3.487 1.00 0.00 O ATOM 382 CB PRO A 859 6.413 -6.044 4.721 1.00 0.00 C ATOM 383 CG PRO A 859 5.285 -5.050 4.992 1.00 0.00 C ATOM 384 CD PRO A 859 5.074 -4.401 3.626 1.00 0.00 C ATOM 0 HA PRO A 859 6.998 -6.856 2.787 1.00 0.00 H new ATOM 0 HB2 PRO A 859 6.416 -6.860 5.444 1.00 0.00 H new ATOM 0 HB3 PRO A 859 7.392 -5.568 4.773 1.00 0.00 H new ATOM 0 HG2 PRO A 859 4.383 -5.548 5.347 1.00 0.00 H new ATOM 0 HG3 PRO A 859 5.564 -4.318 5.750 1.00 0.00 H new ATOM 0 HD2 PRO A 859 4.039 -4.084 3.495 1.00 0.00 H new ATOM 0 HD3 PRO A 859 5.697 -3.514 3.510 1.00 0.00 H new ATOM 392 N PRO A 860 5.723 -8.940 3.227 1.00 0.00 N ATOM 393 CA PRO A 860 4.991 -10.189 3.241 1.00 0.00 C ATOM 394 C PRO A 860 4.507 -10.481 4.654 1.00 0.00 C ATOM 395 O PRO A 860 3.563 -11.244 4.844 1.00 0.00 O ATOM 396 CB PRO A 860 5.998 -11.239 2.779 1.00 0.00 C ATOM 397 CG PRO A 860 7.330 -10.667 3.265 1.00 0.00 C ATOM 398 CD PRO A 860 7.143 -9.165 3.063 1.00 0.00 C ATOM 0 HA PRO A 860 4.110 -10.171 2.600 1.00 0.00 H new ATOM 0 HB2 PRO A 860 5.793 -12.216 3.217 1.00 0.00 H new ATOM 0 HB3 PRO A 860 5.983 -11.365 1.696 1.00 0.00 H new ATOM 0 HG2 PRO A 860 7.520 -10.915 4.309 1.00 0.00 H new ATOM 0 HG3 PRO A 860 8.171 -11.052 2.688 1.00 0.00 H new ATOM 0 HD2 PRO A 860 7.720 -8.594 3.790 1.00 0.00 H new ATOM 0 HD3 PRO A 860 7.480 -8.855 2.074 1.00 0.00 H new ATOM 406 N SER A 861 5.160 -9.873 5.648 1.00 0.00 N ATOM 407 CA SER A 861 4.794 -10.071 7.035 1.00 0.00 C ATOM 408 C SER A 861 3.628 -9.162 7.398 1.00 0.00 C ATOM 409 O SER A 861 3.024 -9.316 8.457 1.00 0.00 O ATOM 410 CB SER A 861 6.000 -9.785 7.925 1.00 0.00 C ATOM 411 OG SER A 861 6.377 -10.964 8.600 1.00 0.00 O ATOM 0 H SER A 861 5.947 -9.239 5.507 1.00 0.00 H new ATOM 0 HA SER A 861 4.483 -11.104 7.188 1.00 0.00 H new ATOM 0 HB2 SER A 861 6.831 -9.417 7.323 1.00 0.00 H new ATOM 0 HB3 SER A 861 5.757 -9.003 8.645 1.00 0.00 H new ATOM 0 HG SER A 861 7.153 -10.781 9.170 1.00 0.00 H new ATOM 417 N THR A 862 3.312 -8.212 6.515 1.00 0.00 N ATOM 418 CA THR A 862 2.221 -7.288 6.748 1.00 0.00 C ATOM 419 C THR A 862 0.896 -8.035 6.732 1.00 0.00 C ATOM 420 O THR A 862 0.721 -8.979 5.964 1.00 0.00 O ATOM 421 CB THR A 862 2.241 -6.199 5.679 1.00 0.00 C ATOM 422 OG1 THR A 862 2.581 -4.965 6.272 1.00 0.00 O ATOM 423 CG2 THR A 862 0.860 -6.091 5.037 1.00 0.00 C ATOM 0 H THR A 862 3.803 -8.070 5.632 1.00 0.00 H new ATOM 0 HA THR A 862 2.339 -6.822 7.726 1.00 0.00 H new ATOM 0 HB THR A 862 2.978 -6.452 4.916 1.00 0.00 H new ATOM 0 HG1 THR A 862 1.768 -4.438 6.420 1.00 0.00 H new ATOM 0 HG21 THR A 862 0.874 -5.313 4.273 1.00 0.00 H new ATOM 0 HG22 THR A 862 0.596 -7.044 4.579 1.00 0.00 H new ATOM 0 HG23 THR A 862 0.123 -5.838 5.799 1.00 0.00 H new ATOM 431 N PRO A 863 -0.041 -7.610 7.583 1.00 0.00 N ATOM 432 CA PRO A 863 -1.358 -8.196 7.705 1.00 0.00 C ATOM 433 C PRO A 863 -2.196 -7.828 6.489 1.00 0.00 C ATOM 434 O PRO A 863 -2.103 -6.712 5.983 1.00 0.00 O ATOM 435 CB PRO A 863 -1.942 -7.584 8.977 1.00 0.00 C ATOM 436 CG PRO A 863 -1.271 -6.212 9.031 1.00 0.00 C ATOM 437 CD PRO A 863 0.130 -6.503 8.499 1.00 0.00 C ATOM 0 HA PRO A 863 -1.335 -9.284 7.758 1.00 0.00 H new ATOM 0 HB2 PRO A 863 -3.028 -7.502 8.925 1.00 0.00 H new ATOM 0 HB3 PRO A 863 -1.710 -8.183 9.858 1.00 0.00 H new ATOM 0 HG2 PRO A 863 -1.794 -5.481 8.415 1.00 0.00 H new ATOM 0 HG3 PRO A 863 -1.244 -5.814 10.045 1.00 0.00 H new ATOM 0 HD2 PRO A 863 0.549 -5.633 7.993 1.00 0.00 H new ATOM 0 HD3 PRO A 863 0.814 -6.762 9.308 1.00 0.00 H new ATOM 445 N ASP A 864 -3.016 -8.771 6.019 1.00 0.00 N ATOM 446 CA ASP A 864 -3.862 -8.543 4.865 1.00 0.00 C ATOM 447 C ASP A 864 -3.002 -8.381 3.620 1.00 0.00 C ATOM 448 O ASP A 864 -3.463 -7.855 2.610 1.00 0.00 O ATOM 449 CB ASP A 864 -4.715 -7.299 5.099 1.00 0.00 C ATOM 450 CG ASP A 864 -6.166 -7.676 5.359 1.00 0.00 C ATOM 451 OD1 ASP A 864 -6.373 -8.666 6.094 1.00 0.00 O ATOM 452 OD2 ASP A 864 -7.042 -6.968 4.817 1.00 0.00 O ATOM 0 H ASP A 864 -3.106 -9.701 6.428 1.00 0.00 H new ATOM 0 HA ASP A 864 -4.522 -9.398 4.718 1.00 0.00 H new ATOM 0 HB2 ASP A 864 -4.323 -6.739 5.948 1.00 0.00 H new ATOM 0 HB3 ASP A 864 -4.656 -6.644 4.230 1.00 0.00 H new ATOM 457 N PHE A 865 -1.748 -8.835 3.694 1.00 0.00 N ATOM 458 CA PHE A 865 -0.834 -8.737 2.574 1.00 0.00 C ATOM 459 C PHE A 865 -1.489 -9.305 1.322 1.00 0.00 C ATOM 460 O PHE A 865 -1.575 -8.625 0.302 1.00 0.00 O ATOM 461 CB PHE A 865 0.452 -9.491 2.902 1.00 0.00 C ATOM 462 CG PHE A 865 1.546 -9.288 1.881 1.00 0.00 C ATOM 463 CD1 PHE A 865 2.194 -8.051 1.786 1.00 0.00 C ATOM 464 CD2 PHE A 865 1.910 -10.336 1.027 1.00 0.00 C ATOM 465 CE1 PHE A 865 3.207 -7.862 0.838 1.00 0.00 C ATOM 466 CE2 PHE A 865 2.923 -10.147 0.079 1.00 0.00 C ATOM 467 CZ PHE A 865 3.571 -8.910 -0.015 1.00 0.00 C ATOM 0 H PHE A 865 -1.350 -9.274 4.524 1.00 0.00 H new ATOM 0 HA PHE A 865 -0.590 -7.691 2.389 1.00 0.00 H new ATOM 0 HB2 PHE A 865 0.813 -9.169 3.879 1.00 0.00 H new ATOM 0 HB3 PHE A 865 0.230 -10.555 2.979 1.00 0.00 H new ATOM 0 HD1 PHE A 865 1.913 -7.242 2.444 1.00 0.00 H new ATOM 0 HD2 PHE A 865 1.409 -11.290 1.099 1.00 0.00 H new ATOM 0 HE1 PHE A 865 3.707 -6.908 0.765 1.00 0.00 H new ATOM 0 HE2 PHE A 865 3.204 -10.956 -0.579 1.00 0.00 H new ATOM 0 HZ PHE A 865 4.352 -8.764 -0.746 1.00 0.00 H new ATOM 477 N SER A 866 -1.951 -10.555 1.402 1.00 0.00 N ATOM 478 CA SER A 866 -2.595 -11.204 0.279 1.00 0.00 C ATOM 479 C SER A 866 -3.299 -10.166 -0.584 1.00 0.00 C ATOM 480 O SER A 866 -3.239 -10.230 -1.810 1.00 0.00 O ATOM 481 CB SER A 866 -3.587 -12.243 0.793 1.00 0.00 C ATOM 482 OG SER A 866 -3.669 -13.309 -0.126 1.00 0.00 O ATOM 0 H SER A 866 -1.886 -11.132 2.240 1.00 0.00 H new ATOM 0 HA SER A 866 -1.846 -11.707 -0.333 1.00 0.00 H new ATOM 0 HB2 SER A 866 -3.270 -12.613 1.768 1.00 0.00 H new ATOM 0 HB3 SER A 866 -4.569 -11.789 0.928 1.00 0.00 H new ATOM 0 HG SER A 866 -4.305 -13.978 0.204 1.00 0.00 H new ATOM 488 N ARG A 867 -3.967 -9.206 0.061 1.00 0.00 N ATOM 489 CA ARG A 867 -4.678 -8.161 -0.647 1.00 0.00 C ATOM 490 C ARG A 867 -3.759 -6.967 -0.862 1.00 0.00 C ATOM 491 O ARG A 867 -3.505 -6.573 -1.998 1.00 0.00 O ATOM 492 CB ARG A 867 -5.913 -7.756 0.152 1.00 0.00 C ATOM 493 CG ARG A 867 -6.619 -9.007 0.666 1.00 0.00 C ATOM 494 CD ARG A 867 -6.019 -9.416 2.008 1.00 0.00 C ATOM 495 NE ARG A 867 -7.052 -9.912 2.917 1.00 0.00 N ATOM 496 CZ ARG A 867 -8.058 -9.145 3.360 1.00 0.00 C ATOM 497 NH1 ARG A 867 -8.147 -7.866 2.971 1.00 0.00 N ATOM 498 NH2 ARG A 867 -8.974 -9.657 4.193 1.00 0.00 N ATOM 0 H ARG A 867 -4.025 -9.139 1.077 1.00 0.00 H new ATOM 0 HA ARG A 867 -4.997 -8.529 -1.622 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -5.625 -7.118 0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -6.590 -7.175 -0.474 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -7.686 -8.816 0.776 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -6.513 -9.819 -0.054 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -5.265 -10.188 1.853 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -5.513 -8.562 2.459 1.00 0.00 H new ATOM 0 HE ARG A 867 -7.005 -10.883 3.227 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -7.449 -7.476 2.338 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -8.913 -7.282 3.308 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -8.906 -10.630 4.490 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -9.740 -9.073 4.530 1.00 0.00 H new ATOM 512 N LEU A 868 -3.260 -6.391 0.234 1.00 0.00 N ATOM 513 CA LEU A 868 -2.373 -5.247 0.161 1.00 0.00 C ATOM 514 C LEU A 868 -1.620 -5.261 -1.162 1.00 0.00 C ATOM 515 O LEU A 868 -1.523 -4.237 -1.834 1.00 0.00 O ATOM 516 CB LEU A 868 -1.401 -5.282 1.337 1.00 0.00 C ATOM 517 CG LEU A 868 -2.162 -5.024 2.634 1.00 0.00 C ATOM 518 CD1 LEU A 868 -1.189 -4.554 3.711 1.00 0.00 C ATOM 519 CD2 LEU A 868 -3.219 -3.949 2.398 1.00 0.00 C ATOM 0 H LEU A 868 -3.461 -6.706 1.183 1.00 0.00 H new ATOM 0 HA LEU A 868 -2.955 -4.327 0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 868 -0.903 -6.250 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 868 -0.624 -4.529 1.203 1.00 0.00 H new ATOM 0 HG LEU A 868 -2.646 -5.944 2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 868 -1.733 -4.370 4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 868 -0.434 -5.322 3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 868 -0.703 -3.634 3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 868 -3.763 -3.764 3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 868 -2.735 -3.028 2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 868 -3.915 -4.285 1.629 1.00 0.00 H new ATOM 531 N ARG A 869 -1.086 -6.426 -1.534 1.00 0.00 N ATOM 532 CA ARG A 869 -0.345 -6.568 -2.771 1.00 0.00 C ATOM 533 C ARG A 869 -1.299 -6.499 -3.954 1.00 0.00 C ATOM 534 O ARG A 869 -1.518 -5.427 -4.516 1.00 0.00 O ATOM 535 CB ARG A 869 0.409 -7.895 -2.762 1.00 0.00 C ATOM 536 CG ARG A 869 1.911 -7.626 -2.731 1.00 0.00 C ATOM 537 CD ARG A 869 2.656 -8.839 -3.279 1.00 0.00 C ATOM 538 NE ARG A 869 2.019 -10.085 -2.851 1.00 0.00 N ATOM 539 CZ ARG A 869 2.398 -11.287 -3.306 1.00 0.00 C ATOM 540 NH1 ARG A 869 3.400 -11.384 -4.190 1.00 0.00 N ATOM 541 NH2 ARG A 869 1.774 -12.393 -2.877 1.00 0.00 N ATOM 0 H ARG A 869 -1.158 -7.284 -0.987 1.00 0.00 H new ATOM 0 HA ARG A 869 0.376 -5.756 -2.863 1.00 0.00 H new ATOM 0 HB2 ARG A 869 0.117 -8.486 -1.894 1.00 0.00 H new ATOM 0 HB3 ARG A 869 0.151 -8.478 -3.646 1.00 0.00 H new ATOM 0 HG2 ARG A 869 2.145 -6.743 -3.325 1.00 0.00 H new ATOM 0 HG3 ARG A 869 2.233 -7.418 -1.711 1.00 0.00 H new ATOM 0 HD2 ARG A 869 2.679 -8.794 -4.368 1.00 0.00 H new ATOM 0 HD3 ARG A 869 3.691 -8.820 -2.937 1.00 0.00 H new ATOM 0 HE ARG A 869 1.254 -10.036 -2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 869 3.875 -10.543 -4.517 1.00 0.00 H new ATOM 0 HH12 ARG A 869 3.688 -12.299 -4.536 1.00 0.00 H new ATOM 0 HH21 ARG A 869 1.011 -12.320 -2.204 1.00 0.00 H new ATOM 0 HH22 ARG A 869 2.062 -13.308 -3.223 1.00 0.00 H new ATOM 555 N ARG A 870 -1.868 -7.645 -4.332 1.00 0.00 N ATOM 556 CA ARG A 870 -2.794 -7.710 -5.445 1.00 0.00 C ATOM 557 C ARG A 870 -3.732 -6.512 -5.405 1.00 0.00 C ATOM 558 O ARG A 870 -4.289 -6.122 -6.429 1.00 0.00 O ATOM 559 CB ARG A 870 -3.581 -9.015 -5.377 1.00 0.00 C ATOM 560 CG ARG A 870 -3.982 -9.442 -6.786 1.00 0.00 C ATOM 561 CD ARG A 870 -3.542 -10.884 -7.025 1.00 0.00 C ATOM 562 NE ARG A 870 -4.637 -11.681 -7.579 1.00 0.00 N ATOM 563 CZ ARG A 870 -4.453 -12.900 -8.104 1.00 0.00 C ATOM 564 NH1 ARG A 870 -3.226 -13.438 -8.135 1.00 0.00 N ATOM 565 NH2 ARG A 870 -5.495 -13.582 -8.597 1.00 0.00 N ATOM 0 H ARG A 870 -1.697 -8.541 -3.876 1.00 0.00 H new ATOM 0 HA ARG A 870 -2.242 -7.684 -6.384 1.00 0.00 H new ATOM 0 HB2 ARG A 870 -2.977 -9.792 -4.908 1.00 0.00 H new ATOM 0 HB3 ARG A 870 -4.469 -8.885 -4.759 1.00 0.00 H new ATOM 0 HG2 ARG A 870 -5.061 -9.354 -6.911 1.00 0.00 H new ATOM 0 HG3 ARG A 870 -3.521 -8.783 -7.522 1.00 0.00 H new ATOM 0 HD2 ARG A 870 -2.693 -10.900 -7.709 1.00 0.00 H new ATOM 0 HD3 ARG A 870 -3.204 -11.325 -6.087 1.00 0.00 H new ATOM 0 HE ARG A 870 -5.580 -11.292 -7.565 1.00 0.00 H new ATOM 0 HH11 ARG A 870 -2.432 -12.920 -7.759 1.00 0.00 H new ATOM 0 HH12 ARG A 870 -3.086 -14.366 -8.535 1.00 0.00 H new ATOM 0 HH21 ARG A 870 -6.429 -13.173 -8.573 1.00 0.00 H new ATOM 0 HH22 ARG A 870 -5.354 -14.510 -8.997 1.00 0.00 H new ATOM 579 N TYR A 871 -3.907 -5.927 -4.218 1.00 0.00 N ATOM 580 CA TYR A 871 -4.776 -4.780 -4.053 1.00 0.00 C ATOM 581 C TYR A 871 -4.033 -3.509 -4.439 1.00 0.00 C ATOM 582 O TYR A 871 -4.363 -2.874 -5.439 1.00 0.00 O ATOM 583 CB TYR A 871 -5.253 -4.709 -2.605 1.00 0.00 C ATOM 584 CG TYR A 871 -6.340 -3.686 -2.378 1.00 0.00 C ATOM 585 CD1 TYR A 871 -7.469 -3.668 -3.206 1.00 0.00 C ATOM 586 CD2 TYR A 871 -6.219 -2.755 -1.339 1.00 0.00 C ATOM 587 CE1 TYR A 871 -8.476 -2.718 -2.995 1.00 0.00 C ATOM 588 CE2 TYR A 871 -7.226 -1.806 -1.128 1.00 0.00 C ATOM 589 CZ TYR A 871 -8.355 -1.787 -1.957 1.00 0.00 C ATOM 590 OH TYR A 871 -9.336 -0.862 -1.752 1.00 0.00 O ATOM 0 H TYR A 871 -3.452 -6.237 -3.359 1.00 0.00 H new ATOM 0 HA TYR A 871 -5.645 -4.880 -4.704 1.00 0.00 H new ATOM 0 HB2 TYR A 871 -5.620 -5.690 -2.303 1.00 0.00 H new ATOM 0 HB3 TYR A 871 -4.404 -4.474 -1.962 1.00 0.00 H new ATOM 0 HD1 TYR A 871 -7.563 -4.386 -4.007 1.00 0.00 H new ATOM 0 HD2 TYR A 871 -5.348 -2.769 -0.700 1.00 0.00 H new ATOM 0 HE1 TYR A 871 -9.347 -2.704 -3.634 1.00 0.00 H new ATOM 0 HE2 TYR A 871 -7.133 -1.089 -0.326 1.00 0.00 H new ATOM 600 N PHE A 872 -3.028 -3.138 -3.643 1.00 0.00 N ATOM 601 CA PHE A 872 -2.246 -1.947 -3.907 1.00 0.00 C ATOM 602 C PHE A 872 -1.776 -1.947 -5.355 1.00 0.00 C ATOM 603 O PHE A 872 -2.428 -1.369 -6.222 1.00 0.00 O ATOM 604 CB PHE A 872 -1.056 -1.899 -2.952 1.00 0.00 C ATOM 605 CG PHE A 872 -0.224 -0.647 -3.089 1.00 0.00 C ATOM 606 CD1 PHE A 872 0.377 -0.336 -4.315 1.00 0.00 C ATOM 607 CD2 PHE A 872 -0.050 0.202 -1.989 1.00 0.00 C ATOM 608 CE1 PHE A 872 1.150 0.824 -4.441 1.00 0.00 C ATOM 609 CE2 PHE A 872 0.724 1.362 -2.116 1.00 0.00 C ATOM 610 CZ PHE A 872 1.324 1.673 -3.342 1.00 0.00 C ATOM 0 H PHE A 872 -2.743 -3.653 -2.810 1.00 0.00 H new ATOM 0 HA PHE A 872 -2.861 -1.061 -3.746 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -1.420 -1.974 -1.927 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -0.422 -2.768 -3.130 1.00 0.00 H new ATOM 0 HD1 PHE A 872 0.244 -0.991 -5.163 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -0.513 -0.038 -1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 872 1.613 1.064 -5.387 1.00 0.00 H new ATOM 0 HE2 PHE A 872 0.858 2.017 -1.268 1.00 0.00 H new ATOM 0 HZ PHE A 872 1.921 2.568 -3.440 1.00 0.00 H new ATOM 620 N VAL A 873 -0.641 -2.600 -5.616 1.00 0.00 N ATOM 621 CA VAL A 873 -0.090 -2.673 -6.954 1.00 0.00 C ATOM 622 C VAL A 873 -1.219 -2.680 -7.975 1.00 0.00 C ATOM 623 O VAL A 873 -1.075 -2.133 -9.066 1.00 0.00 O ATOM 624 CB VAL A 873 0.765 -3.930 -7.084 1.00 0.00 C ATOM 625 CG1 VAL A 873 0.080 -5.088 -6.363 1.00 0.00 C ATOM 626 CG2 VAL A 873 0.935 -4.279 -8.560 1.00 0.00 C ATOM 0 H VAL A 873 -0.090 -3.085 -4.908 1.00 0.00 H new ATOM 0 HA VAL A 873 0.538 -1.802 -7.141 1.00 0.00 H new ATOM 0 HB VAL A 873 1.743 -3.752 -6.638 1.00 0.00 H new ATOM 0 HG11 VAL A 873 0.690 -5.986 -6.456 1.00 0.00 H new ATOM 0 HG12 VAL A 873 -0.042 -4.839 -5.309 1.00 0.00 H new ATOM 0 HG13 VAL A 873 -0.898 -5.267 -6.809 1.00 0.00 H new ATOM 0 HG21 VAL A 873 1.546 -5.177 -8.654 1.00 0.00 H new ATOM 0 HG22 VAL A 873 -0.043 -4.457 -9.007 1.00 0.00 H new ATOM 0 HG23 VAL A 873 1.424 -3.452 -9.075 1.00 0.00 H new ATOM 636 N ALA A 874 -2.345 -3.302 -7.618 1.00 0.00 N ATOM 637 CA ALA A 874 -3.490 -3.378 -8.503 1.00 0.00 C ATOM 638 C ALA A 874 -4.025 -1.979 -8.774 1.00 0.00 C ATOM 639 O ALA A 874 -4.090 -1.549 -9.924 1.00 0.00 O ATOM 640 CB ALA A 874 -4.566 -4.254 -7.868 1.00 0.00 C ATOM 0 H ALA A 874 -2.480 -3.759 -6.716 1.00 0.00 H new ATOM 0 HA ALA A 874 -3.192 -3.823 -9.452 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -5.428 -4.312 -8.533 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -4.169 -5.255 -7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -4.872 -3.822 -6.915 1.00 0.00 H new ATOM 646 N PHE A 875 -4.409 -1.268 -7.712 1.00 0.00 N ATOM 647 CA PHE A 875 -4.935 0.076 -7.843 1.00 0.00 C ATOM 648 C PHE A 875 -4.358 0.738 -9.087 1.00 0.00 C ATOM 649 O PHE A 875 -5.087 1.357 -9.859 1.00 0.00 O ATOM 650 CB PHE A 875 -4.590 0.880 -6.593 1.00 0.00 C ATOM 651 CG PHE A 875 -5.119 0.269 -5.318 1.00 0.00 C ATOM 652 CD1 PHE A 875 -5.774 -0.968 -5.354 1.00 0.00 C ATOM 653 CD2 PHE A 875 -4.952 0.937 -4.099 1.00 0.00 C ATOM 654 CE1 PHE A 875 -6.263 -1.536 -4.171 1.00 0.00 C ATOM 655 CE2 PHE A 875 -5.441 0.369 -2.917 1.00 0.00 C ATOM 656 CZ PHE A 875 -6.096 -0.868 -2.953 1.00 0.00 C ATOM 0 H PHE A 875 -4.362 -1.609 -6.752 1.00 0.00 H new ATOM 0 HA PHE A 875 -6.019 0.038 -7.947 1.00 0.00 H new ATOM 0 HB2 PHE A 875 -3.507 0.974 -6.519 1.00 0.00 H new ATOM 0 HB3 PHE A 875 -4.991 1.888 -6.697 1.00 0.00 H new ATOM 0 HD1 PHE A 875 -5.902 -1.484 -6.294 1.00 0.00 H new ATOM 0 HD2 PHE A 875 -4.446 1.891 -4.071 1.00 0.00 H new ATOM 0 HE1 PHE A 875 -6.769 -2.490 -4.199 1.00 0.00 H new ATOM 0 HE2 PHE A 875 -5.313 0.885 -1.977 1.00 0.00 H new ATOM 0 HZ PHE A 875 -6.472 -1.307 -2.041 1.00 0.00 H new ATOM 666 N ASP A 876 -3.043 0.605 -9.280 1.00 0.00 N ATOM 667 CA ASP A 876 -2.377 1.190 -10.426 1.00 0.00 C ATOM 668 C ASP A 876 -0.990 1.673 -10.024 1.00 0.00 C ATOM 669 O ASP A 876 -0.336 2.385 -10.782 1.00 0.00 O ATOM 670 CB ASP A 876 -3.216 2.344 -10.968 1.00 0.00 C ATOM 671 CG ASP A 876 -4.125 1.874 -12.094 1.00 0.00 C ATOM 672 OD1 ASP A 876 -3.846 0.778 -12.628 1.00 0.00 O ATOM 673 OD2 ASP A 876 -5.080 2.618 -12.401 1.00 0.00 O ATOM 0 H ASP A 876 -2.425 0.094 -8.650 1.00 0.00 H new ATOM 0 HA ASP A 876 -2.267 0.440 -11.210 1.00 0.00 H new ATOM 0 HB2 ASP A 876 -3.817 2.771 -10.165 1.00 0.00 H new ATOM 0 HB3 ASP A 876 -2.561 3.136 -11.331 1.00 0.00 H new ATOM 678 N GLY A 877 -0.543 1.284 -8.828 1.00 0.00 N ATOM 679 CA GLY A 877 0.762 1.681 -8.338 1.00 0.00 C ATOM 680 C GLY A 877 1.789 0.598 -8.633 1.00 0.00 C ATOM 681 O GLY A 877 1.724 -0.057 -9.672 1.00 0.00 O ATOM 0 H GLY A 877 -1.073 0.694 -8.186 1.00 0.00 H new ATOM 0 HA2 GLY A 877 1.065 2.617 -8.808 1.00 0.00 H new ATOM 0 HA3 GLY A 877 0.715 1.864 -7.265 1.00 0.00 H new ATOM 685 N ASP A 878 2.741 0.409 -7.716 1.00 0.00 N ATOM 686 CA ASP A 878 3.776 -0.591 -7.882 1.00 0.00 C ATOM 687 C ASP A 878 4.283 -1.039 -6.519 1.00 0.00 C ATOM 688 O ASP A 878 4.138 -0.319 -5.534 1.00 0.00 O ATOM 689 CB ASP A 878 4.913 -0.010 -8.718 1.00 0.00 C ATOM 690 CG ASP A 878 4.683 -0.265 -10.201 1.00 0.00 C ATOM 691 OD1 ASP A 878 4.754 -1.451 -10.591 1.00 0.00 O ATOM 692 OD2 ASP A 878 4.440 0.730 -10.917 1.00 0.00 O ATOM 0 H ASP A 878 2.809 0.943 -6.850 1.00 0.00 H new ATOM 0 HA ASP A 878 3.369 -1.460 -8.399 1.00 0.00 H new ATOM 0 HB2 ASP A 878 4.991 1.062 -8.537 1.00 0.00 H new ATOM 0 HB3 ASP A 878 5.859 -0.455 -8.411 1.00 0.00 H new ATOM 697 N LEU A 879 4.879 -2.233 -6.464 1.00 0.00 N ATOM 698 CA LEU A 879 5.403 -2.770 -5.224 1.00 0.00 C ATOM 699 C LEU A 879 6.807 -3.313 -5.449 1.00 0.00 C ATOM 700 O LEU A 879 7.039 -4.067 -6.392 1.00 0.00 O ATOM 701 CB LEU A 879 4.474 -3.867 -4.713 1.00 0.00 C ATOM 702 CG LEU A 879 3.547 -3.293 -3.646 1.00 0.00 C ATOM 703 CD1 LEU A 879 3.125 -1.881 -4.045 1.00 0.00 C ATOM 704 CD2 LEU A 879 2.310 -4.177 -3.518 1.00 0.00 C ATOM 0 H LEU A 879 5.007 -2.842 -7.272 1.00 0.00 H new ATOM 0 HA LEU A 879 5.457 -1.980 -4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 879 3.889 -4.275 -5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 879 5.058 -4.689 -4.299 1.00 0.00 H new ATOM 0 HG LEU A 879 4.070 -3.259 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 879 2.463 -1.470 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 879 4.009 -1.249 -4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 879 2.602 -1.914 -5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 879 1.647 -3.767 -2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 879 1.787 -4.211 -4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 879 2.611 -5.185 -3.233 1.00 0.00 H new ATOM 716 N VAL A 880 7.744 -2.928 -4.580 1.00 0.00 N ATOM 717 CA VAL A 880 9.117 -3.376 -4.687 1.00 0.00 C ATOM 718 C VAL A 880 9.460 -4.272 -3.505 1.00 0.00 C ATOM 719 O VAL A 880 9.016 -4.023 -2.386 1.00 0.00 O ATOM 720 CB VAL A 880 10.045 -2.166 -4.735 1.00 0.00 C ATOM 721 CG1 VAL A 880 11.001 -2.304 -5.916 1.00 0.00 C ATOM 722 CG2 VAL A 880 9.215 -0.896 -4.898 1.00 0.00 C ATOM 0 H VAL A 880 7.566 -2.303 -3.793 1.00 0.00 H new ATOM 0 HA VAL A 880 9.245 -3.951 -5.604 1.00 0.00 H new ATOM 0 HB VAL A 880 10.618 -2.110 -3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 880 11.664 -1.440 -5.950 1.00 0.00 H new ATOM 0 HG12 VAL A 880 11.594 -3.211 -5.800 1.00 0.00 H new ATOM 0 HG13 VAL A 880 10.429 -2.360 -6.842 1.00 0.00 H new ATOM 0 HG21 VAL A 880 9.877 -0.031 -4.932 1.00 0.00 H new ATOM 0 HG22 VAL A 880 8.642 -0.952 -5.824 1.00 0.00 H new ATOM 0 HG23 VAL A 880 8.532 -0.797 -4.054 1.00 0.00 H new ATOM 732 N GLN A 881 10.251 -5.317 -3.755 1.00 0.00 N ATOM 733 CA GLN A 881 10.647 -6.243 -2.712 1.00 0.00 C ATOM 734 C GLN A 881 11.594 -5.552 -1.741 1.00 0.00 C ATOM 735 O GLN A 881 12.535 -4.881 -2.158 1.00 0.00 O ATOM 736 CB GLN A 881 11.315 -7.461 -3.343 1.00 0.00 C ATOM 737 CG GLN A 881 10.436 -7.999 -4.468 1.00 0.00 C ATOM 738 CD GLN A 881 11.250 -8.219 -5.735 1.00 0.00 C ATOM 739 OE1 GLN A 881 11.926 -9.236 -5.872 1.00 0.00 O ATOM 740 NE2 GLN A 881 11.183 -7.261 -6.663 1.00 0.00 N ATOM 0 H GLN A 881 10.627 -5.537 -4.677 1.00 0.00 H new ATOM 0 HA GLN A 881 9.767 -6.572 -2.159 1.00 0.00 H new ATOM 0 HB2 GLN A 881 12.296 -7.190 -3.732 1.00 0.00 H new ATOM 0 HB3 GLN A 881 11.473 -8.233 -2.590 1.00 0.00 H new ATOM 0 HG2 GLN A 881 9.976 -8.938 -4.159 1.00 0.00 H new ATOM 0 HG3 GLN A 881 9.626 -7.298 -4.669 1.00 0.00 H new ATOM 0 HE21 GLN A 881 10.607 -6.435 -6.502 1.00 0.00 H new ATOM 0 HE22 GLN A 881 11.708 -7.356 -7.533 1.00 0.00 H new ATOM 749 N GLU A 882 11.342 -5.718 -0.440 1.00 0.00 N ATOM 750 CA GLU A 882 12.174 -5.111 0.580 1.00 0.00 C ATOM 751 C GLU A 882 13.582 -4.898 0.044 1.00 0.00 C ATOM 752 O GLU A 882 13.995 -3.765 -0.192 1.00 0.00 O ATOM 753 CB GLU A 882 12.195 -6.006 1.816 1.00 0.00 C ATOM 754 CG GLU A 882 12.959 -5.308 2.937 1.00 0.00 C ATOM 755 CD GLU A 882 13.616 -6.323 3.862 1.00 0.00 C ATOM 756 OE1 GLU A 882 14.024 -7.384 3.341 1.00 0.00 O ATOM 757 OE2 GLU A 882 13.696 -6.020 5.071 1.00 0.00 O ATOM 0 H GLU A 882 10.565 -6.270 -0.076 1.00 0.00 H new ATOM 0 HA GLU A 882 11.764 -4.140 0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 882 11.177 -6.225 2.137 1.00 0.00 H new ATOM 0 HB3 GLU A 882 12.666 -6.960 1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 882 13.719 -4.653 2.511 1.00 0.00 H new ATOM 0 HG3 GLU A 882 12.278 -4.677 3.508 1.00 0.00 H new ATOM 764 N PHE A 883 14.321 -5.994 -0.150 1.00 0.00 N ATOM 765 CA PHE A 883 15.676 -5.921 -0.657 1.00 0.00 C ATOM 766 C PHE A 883 15.666 -5.382 -2.081 1.00 0.00 C ATOM 767 O PHE A 883 16.666 -5.475 -2.789 1.00 0.00 O ATOM 768 CB PHE A 883 16.312 -7.307 -0.607 1.00 0.00 C ATOM 769 CG PHE A 883 15.707 -8.284 -1.586 1.00 0.00 C ATOM 770 CD1 PHE A 883 14.571 -9.021 -1.229 1.00 0.00 C ATOM 771 CD2 PHE A 883 16.280 -8.450 -2.853 1.00 0.00 C ATOM 772 CE1 PHE A 883 14.009 -9.925 -2.139 1.00 0.00 C ATOM 773 CE2 PHE A 883 15.718 -9.354 -3.762 1.00 0.00 C ATOM 774 CZ PHE A 883 14.582 -10.092 -3.405 1.00 0.00 C ATOM 0 H PHE A 883 13.994 -6.941 0.040 1.00 0.00 H new ATOM 0 HA PHE A 883 16.264 -5.243 -0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 883 17.379 -7.216 -0.810 1.00 0.00 H new ATOM 0 HB3 PHE A 883 16.212 -7.707 0.402 1.00 0.00 H new ATOM 0 HD1 PHE A 883 14.128 -8.892 -0.252 1.00 0.00 H new ATOM 0 HD2 PHE A 883 17.155 -7.881 -3.129 1.00 0.00 H new ATOM 0 HE1 PHE A 883 13.133 -10.494 -1.864 1.00 0.00 H new ATOM 0 HE2 PHE A 883 16.160 -9.483 -4.739 1.00 0.00 H new ATOM 0 HZ PHE A 883 14.149 -10.790 -4.106 1.00 0.00 H new ATOM 784 N ASP A 884 14.530 -4.818 -2.500 1.00 0.00 N ATOM 785 CA ASP A 884 14.396 -4.270 -3.835 1.00 0.00 C ATOM 786 C ASP A 884 13.527 -3.022 -3.794 1.00 0.00 C ATOM 787 O ASP A 884 12.308 -3.108 -3.925 1.00 0.00 O ATOM 788 CB ASP A 884 13.789 -5.323 -4.757 1.00 0.00 C ATOM 789 CG ASP A 884 14.746 -6.489 -4.957 1.00 0.00 C ATOM 790 OD1 ASP A 884 15.969 -6.235 -4.903 1.00 0.00 O ATOM 791 OD2 ASP A 884 14.238 -7.613 -5.160 1.00 0.00 O ATOM 0 H ASP A 884 13.692 -4.733 -1.925 1.00 0.00 H new ATOM 0 HA ASP A 884 15.377 -3.992 -4.220 1.00 0.00 H new ATOM 0 HB2 ASP A 884 12.852 -5.685 -4.334 1.00 0.00 H new ATOM 0 HB3 ASP A 884 13.551 -4.874 -5.721 1.00 0.00 H new ATOM 796 N MET A 885 14.156 -1.859 -3.611 1.00 0.00 N ATOM 797 CA MET A 885 13.435 -0.603 -3.552 1.00 0.00 C ATOM 798 C MET A 885 14.278 0.508 -4.161 1.00 0.00 C ATOM 799 O MET A 885 13.748 1.419 -4.792 1.00 0.00 O ATOM 800 CB MET A 885 13.088 -0.284 -2.101 1.00 0.00 C ATOM 801 CG MET A 885 14.116 -0.933 -1.178 1.00 0.00 C ATOM 802 SD MET A 885 13.613 -0.986 0.560 1.00 0.00 S ATOM 803 CE MET A 885 12.243 -2.162 0.430 1.00 0.00 C ATOM 0 H MET A 885 15.166 -1.770 -3.502 1.00 0.00 H new ATOM 0 HA MET A 885 12.511 -0.684 -4.124 1.00 0.00 H new ATOM 0 HB2 MET A 885 13.076 0.795 -1.948 1.00 0.00 H new ATOM 0 HB3 MET A 885 12.089 -0.651 -1.866 1.00 0.00 H new ATOM 0 HG2 MET A 885 14.307 -1.950 -1.522 1.00 0.00 H new ATOM 0 HG3 MET A 885 15.056 -0.387 -1.257 1.00 0.00 H new ATOM 0 HE1 MET A 885 12.251 -2.827 1.294 1.00 0.00 H new ATOM 0 HE2 MET A 885 11.299 -1.619 0.399 1.00 0.00 H new ATOM 0 HE3 MET A 885 12.353 -2.750 -0.481 1.00 0.00 H new ATOM 813 N THR A 886 15.597 0.431 -3.970 1.00 0.00 N ATOM 814 CA THR A 886 16.503 1.429 -4.502 1.00 0.00 C ATOM 815 C THR A 886 15.750 2.370 -5.432 1.00 0.00 C ATOM 816 O THR A 886 15.825 3.587 -5.281 1.00 0.00 O ATOM 817 CB THR A 886 17.643 0.736 -5.242 1.00 0.00 C ATOM 818 OG1 THR A 886 17.214 0.378 -6.537 1.00 0.00 O ATOM 819 CG2 THR A 886 18.058 -0.519 -4.479 1.00 0.00 C ATOM 0 H THR A 886 16.054 -0.317 -3.449 1.00 0.00 H new ATOM 0 HA THR A 886 16.921 2.017 -3.685 1.00 0.00 H new ATOM 0 HB THR A 886 18.493 1.414 -5.315 1.00 0.00 H new ATOM 0 HG1 THR A 886 17.947 -0.066 -7.013 1.00 0.00 H new ATOM 0 HG21 THR A 886 18.872 -1.014 -5.008 1.00 0.00 H new ATOM 0 HG22 THR A 886 18.390 -0.243 -3.478 1.00 0.00 H new ATOM 0 HG23 THR A 886 17.208 -1.198 -4.405 1.00 0.00 H new ATOM 827 N SER A 887 15.022 1.801 -6.396 1.00 0.00 N ATOM 828 CA SER A 887 14.260 2.590 -7.342 1.00 0.00 C ATOM 829 C SER A 887 12.815 2.703 -6.876 1.00 0.00 C ATOM 830 O SER A 887 12.060 3.531 -7.380 1.00 0.00 O ATOM 831 CB SER A 887 14.333 1.940 -8.721 1.00 0.00 C ATOM 832 OG SER A 887 15.260 2.640 -9.521 1.00 0.00 O ATOM 0 H SER A 887 14.950 0.793 -6.535 1.00 0.00 H new ATOM 0 HA SER A 887 14.680 3.594 -7.404 1.00 0.00 H new ATOM 0 HB2 SER A 887 14.632 0.896 -8.628 1.00 0.00 H new ATOM 0 HB3 SER A 887 13.350 1.949 -9.192 1.00 0.00 H new ATOM 0 HG SER A 887 15.309 2.222 -10.406 1.00 0.00 H new ATOM 838 N ALA A 888 12.432 1.866 -5.908 1.00 0.00 N ATOM 839 CA ALA A 888 11.083 1.876 -5.379 1.00 0.00 C ATOM 840 C ALA A 888 10.635 3.310 -5.134 1.00 0.00 C ATOM 841 O ALA A 888 11.394 4.247 -5.370 1.00 0.00 O ATOM 842 CB ALA A 888 11.040 1.067 -4.085 1.00 0.00 C ATOM 0 H ALA A 888 13.046 1.174 -5.479 1.00 0.00 H new ATOM 0 HA ALA A 888 10.402 1.422 -6.099 1.00 0.00 H new ATOM 0 HB1 ALA A 888 10.026 1.073 -3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 888 11.344 0.040 -4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 888 11.720 1.509 -3.357 1.00 0.00 H new ATOM 848 N THR A 889 9.399 3.479 -4.661 1.00 0.00 N ATOM 849 CA THR A 889 8.862 4.797 -4.389 1.00 0.00 C ATOM 850 C THR A 889 8.290 4.843 -2.979 1.00 0.00 C ATOM 851 O THR A 889 8.468 5.828 -2.266 1.00 0.00 O ATOM 852 CB THR A 889 7.786 5.130 -5.419 1.00 0.00 C ATOM 853 OG1 THR A 889 7.865 6.497 -5.756 1.00 0.00 O ATOM 854 CG2 THR A 889 6.410 4.829 -4.833 1.00 0.00 C ATOM 0 H THR A 889 8.756 2.713 -4.461 1.00 0.00 H new ATOM 0 HA THR A 889 9.658 5.538 -4.460 1.00 0.00 H new ATOM 0 HB THR A 889 7.940 4.526 -6.313 1.00 0.00 H new ATOM 0 HG21 THR A 889 5.641 5.067 -5.568 1.00 0.00 H new ATOM 0 HG22 THR A 889 6.349 3.772 -4.573 1.00 0.00 H new ATOM 0 HG23 THR A 889 6.255 5.433 -3.939 1.00 0.00 H new ATOM 862 N HIS A 890 7.601 3.773 -2.576 1.00 0.00 N ATOM 863 CA HIS A 890 7.008 3.701 -1.256 1.00 0.00 C ATOM 864 C HIS A 890 7.429 2.411 -0.566 1.00 0.00 C ATOM 865 O HIS A 890 7.894 1.479 -1.218 1.00 0.00 O ATOM 866 CB HIS A 890 5.488 3.777 -1.378 1.00 0.00 C ATOM 867 CG HIS A 890 4.994 5.179 -1.609 1.00 0.00 C ATOM 868 ND1 HIS A 890 5.516 6.087 -2.502 1.00 0.00 N ATOM 869 CD2 HIS A 890 3.945 5.780 -0.968 1.00 0.00 C ATOM 870 CE1 HIS A 890 4.790 7.214 -2.396 1.00 0.00 C ATOM 871 NE2 HIS A 890 3.821 7.077 -1.476 1.00 0.00 N ATOM 0 HA HIS A 890 7.355 4.540 -0.653 1.00 0.00 H new ATOM 0 HB2 HIS A 890 5.161 3.141 -2.201 1.00 0.00 H new ATOM 0 HB3 HIS A 890 5.034 3.381 -0.469 1.00 0.00 H new ATOM 0 HD2 HIS A 890 3.324 5.333 -0.206 1.00 0.00 H new ATOM 0 HE1 HIS A 890 4.963 8.110 -2.974 1.00 0.00 H new ATOM 0 HE2 HIS A 890 3.133 7.778 -1.203 1.00 0.00 H new ATOM 879 N VAL A 891 7.266 2.360 0.758 1.00 0.00 N ATOM 880 CA VAL A 891 7.629 1.188 1.529 1.00 0.00 C ATOM 881 C VAL A 891 6.729 1.078 2.751 1.00 0.00 C ATOM 882 O VAL A 891 6.578 2.039 3.502 1.00 0.00 O ATOM 883 CB VAL A 891 9.094 1.287 1.942 1.00 0.00 C ATOM 884 CG1 VAL A 891 9.984 1.036 0.728 1.00 0.00 C ATOM 885 CG2 VAL A 891 9.373 2.680 2.499 1.00 0.00 C ATOM 0 H VAL A 891 6.882 3.125 1.313 1.00 0.00 H new ATOM 0 HA VAL A 891 7.496 0.292 0.923 1.00 0.00 H new ATOM 0 HB VAL A 891 9.306 0.541 2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 891 11.031 1.107 1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 891 9.786 0.040 0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 891 9.772 1.781 -0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 891 10.420 2.751 2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 891 9.160 3.427 1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 891 8.738 2.859 3.367 1.00 0.00 H new ATOM 895 N LEU A 892 6.131 -0.100 2.950 1.00 0.00 N ATOM 896 CA LEU A 892 5.252 -0.330 4.079 1.00 0.00 C ATOM 897 C LEU A 892 6.076 -0.633 5.322 1.00 0.00 C ATOM 898 O LEU A 892 6.833 -1.601 5.348 1.00 0.00 O ATOM 899 CB LEU A 892 4.309 -1.487 3.760 1.00 0.00 C ATOM 900 CG LEU A 892 2.883 -1.101 4.144 1.00 0.00 C ATOM 901 CD1 LEU A 892 1.962 -1.297 2.944 1.00 0.00 C ATOM 902 CD2 LEU A 892 2.411 -1.982 5.298 1.00 0.00 C ATOM 0 H LEU A 892 6.246 -0.906 2.336 1.00 0.00 H new ATOM 0 HA LEU A 892 4.658 0.564 4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 892 4.358 -1.729 2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 892 4.615 -2.380 4.305 1.00 0.00 H new ATOM 0 HG LEU A 892 2.860 -0.056 4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 892 0.944 -1.021 3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 892 2.299 -0.668 2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 892 1.984 -2.342 2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 892 1.393 -1.707 5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 892 2.434 -3.028 4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 892 3.069 -1.841 6.156 1.00 0.00 H new ATOM 914 N GLY A 893 5.927 0.197 6.357 1.00 0.00 N ATOM 915 CA GLY A 893 6.658 0.010 7.594 1.00 0.00 C ATOM 916 C GLY A 893 8.156 -0.013 7.324 1.00 0.00 C ATOM 917 O GLY A 893 8.654 -0.911 6.648 1.00 0.00 O ATOM 0 H GLY A 893 5.303 1.004 6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 893 6.419 0.814 8.290 1.00 0.00 H new ATOM 0 HA3 GLY A 893 6.353 -0.923 8.067 1.00 0.00 H new ATOM 921 N SER A 894 8.874 0.979 7.854 1.00 0.00 N ATOM 922 CA SER A 894 10.309 1.067 7.668 1.00 0.00 C ATOM 923 C SER A 894 10.618 1.577 6.267 1.00 0.00 C ATOM 924 O SER A 894 9.736 1.621 5.412 1.00 0.00 O ATOM 925 CB SER A 894 10.935 -0.306 7.894 1.00 0.00 C ATOM 926 OG SER A 894 11.144 -0.505 9.275 1.00 0.00 O ATOM 0 H SER A 894 8.476 1.731 8.416 1.00 0.00 H new ATOM 0 HA SER A 894 10.731 1.768 8.389 1.00 0.00 H new ATOM 0 HB2 SER A 894 10.283 -1.085 7.498 1.00 0.00 H new ATOM 0 HB3 SER A 894 11.881 -0.379 7.358 1.00 0.00 H new ATOM 0 HG SER A 894 11.544 -1.387 9.421 1.00 0.00 H new ATOM 932 N ARG A 895 11.875 1.960 6.034 1.00 0.00 N ATOM 933 CA ARG A 895 12.294 2.464 4.741 1.00 0.00 C ATOM 934 C ARG A 895 13.697 1.965 4.424 1.00 0.00 C ATOM 935 O ARG A 895 14.034 1.754 3.261 1.00 0.00 O ATOM 936 CB ARG A 895 12.252 3.989 4.752 1.00 0.00 C ATOM 937 CG ARG A 895 13.021 4.510 5.963 1.00 0.00 C ATOM 938 CD ARG A 895 13.411 5.967 5.730 1.00 0.00 C ATOM 939 NE ARG A 895 13.228 6.760 6.946 1.00 0.00 N ATOM 940 CZ ARG A 895 14.062 6.687 7.992 1.00 0.00 C ATOM 941 NH1 ARG A 895 15.118 5.862 7.952 1.00 0.00 N ATOM 942 NH2 ARG A 895 13.841 7.439 9.079 1.00 0.00 N ATOM 0 H ARG A 895 12.617 1.927 6.733 1.00 0.00 H new ATOM 0 HA ARG A 895 11.617 2.101 3.968 1.00 0.00 H new ATOM 0 HB2 ARG A 895 12.689 4.382 3.834 1.00 0.00 H new ATOM 0 HB3 ARG A 895 11.219 4.335 4.787 1.00 0.00 H new ATOM 0 HG2 ARG A 895 12.408 4.426 6.860 1.00 0.00 H new ATOM 0 HG3 ARG A 895 13.913 3.906 6.128 1.00 0.00 H new ATOM 0 HD2 ARG A 895 14.451 6.022 5.409 1.00 0.00 H new ATOM 0 HD3 ARG A 895 12.807 6.385 4.925 1.00 0.00 H new ATOM 0 HE ARG A 895 12.432 7.395 7.000 1.00 0.00 H new ATOM 0 HH11 ARG A 895 15.287 5.289 7.125 1.00 0.00 H new ATOM 0 HH12 ARG A 895 15.753 5.807 8.749 1.00 0.00 H new ATOM 0 HH21 ARG A 895 13.038 8.067 9.110 1.00 0.00 H new ATOM 0 HH22 ARG A 895 14.476 7.383 9.875 1.00 0.00 H new ATOM 956 N ASP A 896 14.514 1.777 5.462 1.00 0.00 N ATOM 957 CA ASP A 896 15.874 1.306 5.288 1.00 0.00 C ATOM 958 C ASP A 896 16.060 0.780 3.872 1.00 0.00 C ATOM 959 O ASP A 896 16.629 1.464 3.025 1.00 0.00 O ATOM 960 CB ASP A 896 16.167 0.214 6.314 1.00 0.00 C ATOM 961 CG ASP A 896 17.414 -0.571 5.930 1.00 0.00 C ATOM 962 OD1 ASP A 896 18.260 0.018 5.223 1.00 0.00 O ATOM 963 OD2 ASP A 896 17.497 -1.745 6.351 1.00 0.00 O ATOM 0 H ASP A 896 14.249 1.947 6.432 1.00 0.00 H new ATOM 0 HA ASP A 896 16.572 2.129 5.443 1.00 0.00 H new ATOM 0 HB2 ASP A 896 16.303 0.661 7.299 1.00 0.00 H new ATOM 0 HB3 ASP A 896 15.315 -0.462 6.386 1.00 0.00 H new ATOM 968 N LYS A 897 15.578 -0.438 3.617 1.00 0.00 N ATOM 969 CA LYS A 897 15.695 -1.046 2.307 1.00 0.00 C ATOM 970 C LYS A 897 15.667 0.031 1.232 1.00 0.00 C ATOM 971 O LYS A 897 16.326 -0.098 0.203 1.00 0.00 O ATOM 972 CB LYS A 897 14.555 -2.040 2.105 1.00 0.00 C ATOM 973 CG LYS A 897 13.585 -1.947 3.279 1.00 0.00 C ATOM 974 CD LYS A 897 12.650 -0.758 3.074 1.00 0.00 C ATOM 975 CE LYS A 897 12.010 -0.379 4.406 1.00 0.00 C ATOM 976 NZ LYS A 897 10.635 0.107 4.211 1.00 0.00 N ATOM 0 H LYS A 897 15.103 -1.018 4.309 1.00 0.00 H new ATOM 0 HA LYS A 897 16.643 -1.579 2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 897 14.034 -1.827 1.171 1.00 0.00 H new ATOM 0 HB3 LYS A 897 14.951 -3.052 2.026 1.00 0.00 H new ATOM 0 HG2 LYS A 897 13.007 -2.868 3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 897 14.137 -1.833 4.212 1.00 0.00 H new ATOM 0 HD2 LYS A 897 13.205 0.089 2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 897 11.879 -1.010 2.346 1.00 0.00 H new ATOM 0 HE2 LYS A 897 12.003 -1.244 5.069 1.00 0.00 H new ATOM 0 HE3 LYS A 897 12.606 0.392 4.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 897 10.065 -0.118 5.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 897 10.648 1.137 4.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 897 10.219 -0.354 3.377 1.00 0.00 H new ATOM 990 N ASN A 898 14.901 1.098 1.473 1.00 0.00 N ATOM 991 CA ASN A 898 14.793 2.189 0.526 1.00 0.00 C ATOM 992 C ASN A 898 14.314 3.447 1.237 1.00 0.00 C ATOM 993 O ASN A 898 13.117 3.628 1.445 1.00 0.00 O ATOM 994 CB ASN A 898 13.828 1.799 -0.590 1.00 0.00 C ATOM 995 CG ASN A 898 14.496 1.916 -1.952 1.00 0.00 C ATOM 996 OD1 ASN A 898 15.634 1.484 -2.126 1.00 0.00 O ATOM 997 ND2 ASN A 898 13.787 2.501 -2.919 1.00 0.00 N ATOM 0 H ASN A 898 14.348 1.221 2.321 1.00 0.00 H new ATOM 0 HA ASN A 898 15.771 2.393 0.090 1.00 0.00 H new ATOM 0 HB2 ASN A 898 13.483 0.777 -0.437 1.00 0.00 H new ATOM 0 HB3 ASN A 898 12.948 2.441 -0.556 1.00 0.00 H new ATOM 0 HD21 ASN A 898 14.186 2.606 -3.852 1.00 0.00 H new ATOM 0 HD22 ASN A 898 12.846 2.844 -2.725 1.00 0.00 H new ATOM 1004 N PRO A 899 15.255 4.318 1.609 1.00 0.00 N ATOM 1005 CA PRO A 899 14.988 5.566 2.292 1.00 0.00 C ATOM 1006 C PRO A 899 14.357 6.554 1.322 1.00 0.00 C ATOM 1007 O PRO A 899 13.848 7.593 1.735 1.00 0.00 O ATOM 1008 CB PRO A 899 16.356 6.056 2.761 1.00 0.00 C ATOM 1009 CG PRO A 899 17.300 5.492 1.699 1.00 0.00 C ATOM 1010 CD PRO A 899 16.672 4.137 1.380 1.00 0.00 C ATOM 0 HA PRO A 899 14.296 5.454 3.126 1.00 0.00 H new ATOM 0 HB2 PRO A 899 16.402 7.144 2.806 1.00 0.00 H new ATOM 0 HB3 PRO A 899 16.599 5.685 3.757 1.00 0.00 H new ATOM 0 HG2 PRO A 899 17.349 6.133 0.819 1.00 0.00 H new ATOM 0 HG3 PRO A 899 18.318 5.388 2.075 1.00 0.00 H new ATOM 0 HD2 PRO A 899 16.871 3.843 0.350 1.00 0.00 H new ATOM 0 HD3 PRO A 899 17.078 3.353 2.019 1.00 0.00 H new ATOM 1018 N ALA A 900 14.393 6.228 0.027 1.00 0.00 N ATOM 1019 CA ALA A 900 13.829 7.087 -0.993 1.00 0.00 C ATOM 1020 C ALA A 900 12.356 6.756 -1.190 1.00 0.00 C ATOM 1021 O ALA A 900 11.673 7.401 -1.982 1.00 0.00 O ATOM 1022 CB ALA A 900 14.603 6.904 -2.296 1.00 0.00 C ATOM 0 H ALA A 900 14.811 5.369 -0.331 1.00 0.00 H new ATOM 0 HA ALA A 900 13.908 8.128 -0.681 1.00 0.00 H new ATOM 0 HB1 ALA A 900 14.179 7.550 -3.065 1.00 0.00 H new ATOM 0 HB2 ALA A 900 15.649 7.166 -2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 900 14.534 5.865 -2.617 1.00 0.00 H new ATOM 1028 N ALA A 901 11.868 5.746 -0.466 1.00 0.00 N ATOM 1029 CA ALA A 901 10.483 5.333 -0.565 1.00 0.00 C ATOM 1030 C ALA A 901 9.656 6.045 0.496 1.00 0.00 C ATOM 1031 O ALA A 901 10.031 7.119 0.961 1.00 0.00 O ATOM 1032 CB ALA A 901 10.390 3.819 -0.398 1.00 0.00 C ATOM 0 H ALA A 901 12.422 5.202 0.196 1.00 0.00 H new ATOM 0 HA ALA A 901 10.089 5.601 -1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 901 9.348 3.508 -0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 901 10.971 3.330 -1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 901 10.784 3.536 0.578 1.00 0.00 H new ATOM 1038 N GLN A 902 8.527 5.443 0.879 1.00 0.00 N ATOM 1039 CA GLN A 902 7.655 6.022 1.881 1.00 0.00 C ATOM 1040 C GLN A 902 7.366 4.998 2.969 1.00 0.00 C ATOM 1041 O GLN A 902 7.039 3.851 2.674 1.00 0.00 O ATOM 1042 CB GLN A 902 6.361 6.487 1.219 1.00 0.00 C ATOM 1043 CG GLN A 902 6.574 7.863 0.593 1.00 0.00 C ATOM 1044 CD GLN A 902 7.025 8.871 1.640 1.00 0.00 C ATOM 1045 OE1 GLN A 902 7.774 9.796 1.332 1.00 0.00 O ATOM 1046 NE2 GLN A 902 6.567 8.691 2.881 1.00 0.00 N ATOM 0 H GLN A 902 8.202 4.552 0.504 1.00 0.00 H new ATOM 0 HA GLN A 902 8.143 6.882 2.340 1.00 0.00 H new ATOM 0 HB2 GLN A 902 6.054 5.772 0.456 1.00 0.00 H new ATOM 0 HB3 GLN A 902 5.559 6.531 1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 902 7.321 7.796 -0.198 1.00 0.00 H new ATOM 0 HG3 GLN A 902 5.648 8.204 0.129 1.00 0.00 H new ATOM 0 HE21 GLN A 902 5.947 7.908 3.087 1.00 0.00 H new ATOM 0 HE22 GLN A 902 6.837 9.337 3.623 1.00 0.00 H new ATOM 1055 N GLN A 903 7.487 5.415 4.232 1.00 0.00 N ATOM 1056 CA GLN A 903 7.240 4.534 5.355 1.00 0.00 C ATOM 1057 C GLN A 903 5.768 4.588 5.740 1.00 0.00 C ATOM 1058 O GLN A 903 5.428 5.012 6.842 1.00 0.00 O ATOM 1059 CB GLN A 903 8.121 4.949 6.529 1.00 0.00 C ATOM 1060 CG GLN A 903 9.582 4.657 6.198 1.00 0.00 C ATOM 1061 CD GLN A 903 10.388 5.945 6.114 1.00 0.00 C ATOM 1062 OE1 GLN A 903 10.928 6.408 7.116 1.00 0.00 O ATOM 1063 NE2 GLN A 903 10.466 6.525 4.913 1.00 0.00 N ATOM 0 H GLN A 903 7.756 6.363 4.494 1.00 0.00 H new ATOM 0 HA GLN A 903 7.485 3.509 5.078 1.00 0.00 H new ATOM 0 HB2 GLN A 903 7.990 6.011 6.738 1.00 0.00 H new ATOM 0 HB3 GLN A 903 7.826 4.408 7.428 1.00 0.00 H new ATOM 0 HG2 GLN A 903 10.009 4.006 6.961 1.00 0.00 H new ATOM 0 HG3 GLN A 903 9.644 4.122 5.250 1.00 0.00 H new ATOM 0 HE21 GLN A 903 10.000 6.101 4.111 1.00 0.00 H new ATOM 0 HE22 GLN A 903 10.992 7.391 4.798 1.00 0.00 H new ATOM 1072 N VAL A 904 4.894 4.157 4.827 1.00 0.00 N ATOM 1073 CA VAL A 904 3.466 4.158 5.074 1.00 0.00 C ATOM 1074 C VAL A 904 3.078 2.910 5.854 1.00 0.00 C ATOM 1075 O VAL A 904 3.889 2.000 6.018 1.00 0.00 O ATOM 1076 CB VAL A 904 2.721 4.218 3.744 1.00 0.00 C ATOM 1077 CG1 VAL A 904 3.690 4.617 2.635 1.00 0.00 C ATOM 1078 CG2 VAL A 904 2.127 2.847 3.432 1.00 0.00 C ATOM 0 H VAL A 904 5.161 3.803 3.908 1.00 0.00 H new ATOM 0 HA VAL A 904 3.195 5.032 5.666 1.00 0.00 H new ATOM 0 HB VAL A 904 1.921 4.955 3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 904 3.158 4.660 1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 904 4.115 5.596 2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 904 4.491 3.881 2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 904 1.594 2.889 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 904 2.927 2.110 3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 904 1.434 2.562 4.224 1.00 0.00 H new ATOM 1088 N SER A 905 1.834 2.868 6.337 1.00 0.00 N ATOM 1089 CA SER A 905 1.347 1.734 7.095 1.00 0.00 C ATOM 1090 C SER A 905 0.041 1.233 6.494 1.00 0.00 C ATOM 1091 O SER A 905 -0.326 1.625 5.388 1.00 0.00 O ATOM 1092 CB SER A 905 1.150 2.143 8.552 1.00 0.00 C ATOM 1093 OG SER A 905 -0.198 2.500 8.761 1.00 0.00 O ATOM 0 H SER A 905 1.150 3.614 6.211 1.00 0.00 H new ATOM 0 HA SER A 905 2.076 0.925 7.054 1.00 0.00 H new ATOM 0 HB2 SER A 905 1.426 1.321 9.212 1.00 0.00 H new ATOM 0 HB3 SER A 905 1.802 2.982 8.797 1.00 0.00 H new ATOM 0 HG SER A 905 -0.392 2.497 9.722 1.00 0.00 H new ATOM 1099 N PRO A 906 -0.661 0.366 7.227 1.00 0.00 N ATOM 1100 CA PRO A 906 -1.924 -0.212 6.819 1.00 0.00 C ATOM 1101 C PRO A 906 -3.017 0.845 6.894 1.00 0.00 C ATOM 1102 O PRO A 906 -3.989 0.788 6.145 1.00 0.00 O ATOM 1103 CB PRO A 906 -2.181 -1.336 7.820 1.00 0.00 C ATOM 1104 CG PRO A 906 -1.490 -0.828 9.085 1.00 0.00 C ATOM 1105 CD PRO A 906 -0.259 -0.115 8.531 1.00 0.00 C ATOM 0 HA PRO A 906 -1.910 -0.583 5.794 1.00 0.00 H new ATOM 0 HB2 PRO A 906 -3.247 -1.500 7.979 1.00 0.00 H new ATOM 0 HB3 PRO A 906 -1.760 -2.283 7.482 1.00 0.00 H new ATOM 0 HG2 PRO A 906 -2.129 -0.151 9.652 1.00 0.00 H new ATOM 0 HG3 PRO A 906 -1.218 -1.645 9.754 1.00 0.00 H new ATOM 0 HD2 PRO A 906 0.046 0.707 9.178 1.00 0.00 H new ATOM 0 HD3 PRO A 906 0.590 -0.794 8.457 1.00 0.00 H new ATOM 1113 N GLU A 907 -2.856 1.810 7.802 1.00 0.00 N ATOM 1114 CA GLU A 907 -3.830 2.871 7.966 1.00 0.00 C ATOM 1115 C GLU A 907 -3.802 3.794 6.756 1.00 0.00 C ATOM 1116 O GLU A 907 -4.824 4.370 6.388 1.00 0.00 O ATOM 1117 CB GLU A 907 -3.524 3.646 9.244 1.00 0.00 C ATOM 1118 CG GLU A 907 -3.956 2.823 10.455 1.00 0.00 C ATOM 1119 CD GLU A 907 -2.753 2.421 11.295 1.00 0.00 C ATOM 1120 OE1 GLU A 907 -1.874 3.290 11.482 1.00 0.00 O ATOM 1121 OE2 GLU A 907 -2.734 1.251 11.735 1.00 0.00 O ATOM 0 H GLU A 907 -2.056 1.871 8.432 1.00 0.00 H new ATOM 0 HA GLU A 907 -4.829 2.442 8.045 1.00 0.00 H new ATOM 0 HB2 GLU A 907 -2.458 3.866 9.302 1.00 0.00 H new ATOM 0 HB3 GLU A 907 -4.047 4.602 9.236 1.00 0.00 H new ATOM 0 HG2 GLU A 907 -4.652 3.401 11.063 1.00 0.00 H new ATOM 0 HG3 GLU A 907 -4.487 1.931 10.123 1.00 0.00 H new ATOM 1128 N TRP A 908 -2.629 3.933 6.135 1.00 0.00 N ATOM 1129 CA TRP A 908 -2.480 4.782 4.971 1.00 0.00 C ATOM 1130 C TRP A 908 -3.267 4.205 3.804 1.00 0.00 C ATOM 1131 O TRP A 908 -4.138 4.870 3.249 1.00 0.00 O ATOM 1132 CB TRP A 908 -1.000 4.905 4.618 1.00 0.00 C ATOM 1133 CG TRP A 908 -0.704 5.773 3.437 1.00 0.00 C ATOM 1134 CD1 TRP A 908 -0.654 7.123 3.454 1.00 0.00 C ATOM 1135 CD2 TRP A 908 -0.416 5.381 2.060 1.00 0.00 C ATOM 1136 NE1 TRP A 908 -0.356 7.590 2.191 1.00 0.00 N ATOM 1137 CE2 TRP A 908 -0.199 6.556 1.291 1.00 0.00 C ATOM 1138 CE3 TRP A 908 -0.316 4.152 1.383 1.00 0.00 C ATOM 1139 CZ2 TRP A 908 0.100 6.516 -0.073 1.00 0.00 C ATOM 1140 CZ3 TRP A 908 -0.016 4.101 0.014 1.00 0.00 C ATOM 1141 CH2 TRP A 908 0.192 5.278 -0.716 1.00 0.00 C ATOM 0 H TRP A 908 -1.772 3.464 6.426 1.00 0.00 H new ATOM 0 HA TRP A 908 -2.872 5.775 5.190 1.00 0.00 H new ATOM 0 HB2 TRP A 908 -0.467 5.299 5.483 1.00 0.00 H new ATOM 0 HB3 TRP A 908 -0.603 3.908 4.426 1.00 0.00 H new ATOM 0 HD1 TRP A 908 -0.822 7.742 4.323 1.00 0.00 H new ATOM 0 HE1 TRP A 908 -0.263 8.577 1.952 1.00 0.00 H new ATOM 0 HE3 TRP A 908 -0.473 3.232 1.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 908 0.258 7.431 -0.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 908 0.055 3.144 -0.482 1.00 0.00 H new ATOM 0 HH2 TRP A 908 0.422 5.230 -1.770 1.00 0.00 H new ATOM 1152 N ILE A 909 -2.957 2.960 3.432 1.00 0.00 N ATOM 1153 CA ILE A 909 -3.635 2.297 2.336 1.00 0.00 C ATOM 1154 C ILE A 909 -5.133 2.552 2.426 1.00 0.00 C ATOM 1155 O ILE A 909 -5.754 2.965 1.449 1.00 0.00 O ATOM 1156 CB ILE A 909 -3.336 0.801 2.385 1.00 0.00 C ATOM 1157 CG1 ILE A 909 -2.130 0.493 1.503 1.00 0.00 C ATOM 1158 CG2 ILE A 909 -4.548 0.024 1.878 1.00 0.00 C ATOM 1159 CD1 ILE A 909 -1.069 -0.232 2.327 1.00 0.00 C ATOM 0 H ILE A 909 -2.236 2.396 3.882 1.00 0.00 H new ATOM 0 HA ILE A 909 -3.276 2.695 1.387 1.00 0.00 H new ATOM 0 HB ILE A 909 -3.119 0.508 3.412 1.00 0.00 H new ATOM 0 HG12 ILE A 909 -2.433 -0.124 0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 909 -1.720 1.416 1.094 1.00 0.00 H new ATOM 0 HG21 ILE A 909 -4.336 -1.045 1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 909 -5.410 0.243 2.508 1.00 0.00 H new ATOM 0 HG23 ILE A 909 -4.765 0.318 0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 909 -0.207 -0.452 1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 909 -0.759 0.401 3.158 1.00 0.00 H new ATOM 0 HD13 ILE A 909 -1.483 -1.163 2.715 1.00 0.00 H new ATOM 1171 N TRP A 910 -5.713 2.306 3.603 1.00 0.00 N ATOM 1172 CA TRP A 910 -7.133 2.513 3.809 1.00 0.00 C ATOM 1173 C TRP A 910 -7.483 3.975 3.571 1.00 0.00 C ATOM 1174 O TRP A 910 -8.130 4.308 2.581 1.00 0.00 O ATOM 1175 CB TRP A 910 -7.506 2.092 5.228 1.00 0.00 C ATOM 1176 CG TRP A 910 -6.993 0.750 5.641 1.00 0.00 C ATOM 1177 CD1 TRP A 910 -6.280 0.498 6.761 1.00 0.00 C ATOM 1178 CD2 TRP A 910 -7.136 -0.535 4.963 1.00 0.00 C ATOM 1179 NE1 TRP A 910 -5.974 -0.845 6.822 1.00 0.00 N ATOM 1180 CE2 TRP A 910 -6.478 -1.530 5.735 1.00 0.00 C ATOM 1181 CE3 TRP A 910 -7.753 -0.961 3.773 1.00 0.00 C ATOM 1182 CZ2 TRP A 910 -6.435 -2.873 5.351 1.00 0.00 C ATOM 1183 CZ3 TRP A 910 -7.716 -2.307 3.378 1.00 0.00 C ATOM 1184 CH2 TRP A 910 -7.059 -3.263 4.162 1.00 0.00 C ATOM 0 H TRP A 910 -5.214 1.963 4.424 1.00 0.00 H new ATOM 0 HA TRP A 910 -7.699 1.906 3.102 1.00 0.00 H new ATOM 0 HB2 TRP A 910 -7.127 2.840 5.925 1.00 0.00 H new ATOM 0 HB3 TRP A 910 -8.592 2.093 5.318 1.00 0.00 H new ATOM 0 HD1 TRP A 910 -5.994 1.236 7.496 1.00 0.00 H new ATOM 0 HE1 TRP A 910 -5.442 -1.278 7.576 1.00 0.00 H new ATOM 0 HE3 TRP A 910 -8.264 -0.240 3.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 910 -5.926 -3.601 5.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 910 -8.199 -2.608 2.460 1.00 0.00 H new ATOM 0 HH2 TRP A 910 -7.034 -4.297 3.850 1.00 0.00 H new ATOM 1195 N ALA A 911 -7.053 4.849 4.485 1.00 0.00 N ATOM 1196 CA ALA A 911 -7.323 6.268 4.371 1.00 0.00 C ATOM 1197 C ALA A 911 -7.056 6.731 2.946 1.00 0.00 C ATOM 1198 O ALA A 911 -7.694 7.666 2.466 1.00 0.00 O ATOM 1199 CB ALA A 911 -6.448 7.032 5.361 1.00 0.00 C ATOM 0 H ALA A 911 -6.515 4.589 5.312 1.00 0.00 H new ATOM 0 HA ALA A 911 -8.370 6.463 4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 911 -6.650 8.100 5.276 1.00 0.00 H new ATOM 0 HB2 ALA A 911 -6.671 6.700 6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 911 -5.398 6.843 5.140 1.00 0.00 H new ATOM 1205 N CYS A 912 -6.110 6.074 2.272 1.00 0.00 N ATOM 1206 CA CYS A 912 -5.761 6.416 0.907 1.00 0.00 C ATOM 1207 C CYS A 912 -6.858 5.941 -0.034 1.00 0.00 C ATOM 1208 O CYS A 912 -7.695 6.732 -0.462 1.00 0.00 O ATOM 1209 CB CYS A 912 -4.423 5.775 0.549 1.00 0.00 C ATOM 1210 SG CYS A 912 -3.156 6.403 1.680 1.00 0.00 S ATOM 0 H CYS A 912 -5.573 5.298 2.660 1.00 0.00 H new ATOM 0 HA CYS A 912 -5.666 7.497 0.808 1.00 0.00 H new ATOM 0 HB2 CYS A 912 -4.492 4.690 0.624 1.00 0.00 H new ATOM 0 HB3 CYS A 912 -4.157 6.007 -0.482 1.00 0.00 H new ATOM 0 HG CYS A 912 -1.996 5.922 1.342 1.00 0.00 H new ATOM 1216 N ILE A 913 -6.852 4.645 -0.356 1.00 0.00 N ATOM 1217 CA ILE A 913 -7.845 4.071 -1.243 1.00 0.00 C ATOM 1218 C ILE A 913 -9.217 4.647 -0.921 1.00 0.00 C ATOM 1219 O ILE A 913 -10.013 4.901 -1.822 1.00 0.00 O ATOM 1220 CB ILE A 913 -7.845 2.553 -1.091 1.00 0.00 C ATOM 1221 CG1 ILE A 913 -9.033 1.965 -1.847 1.00 0.00 C ATOM 1222 CG2 ILE A 913 -7.954 2.190 0.388 1.00 0.00 C ATOM 1223 CD1 ILE A 913 -8.995 0.443 -1.751 1.00 0.00 C ATOM 0 HA ILE A 913 -7.603 4.318 -2.277 1.00 0.00 H new ATOM 0 HB ILE A 913 -6.919 2.148 -1.498 1.00 0.00 H new ATOM 0 HG12 ILE A 913 -9.966 2.343 -1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 913 -9.002 2.275 -2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 913 -7.954 1.106 0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 913 -7.106 2.609 0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 913 -8.880 2.596 0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 913 -9.844 0.023 -2.291 1.00 0.00 H new ATOM 0 HD12 ILE A 913 -8.068 0.074 -2.189 1.00 0.00 H new ATOM 0 HD13 ILE A 913 -9.047 0.143 -0.704 1.00 0.00 H new ATOM 1235 N ARG A 914 -9.492 4.853 0.369 1.00 0.00 N ATOM 1236 CA ARG A 914 -10.764 5.395 0.803 1.00 0.00 C ATOM 1237 C ARG A 914 -10.852 6.867 0.426 1.00 0.00 C ATOM 1238 O ARG A 914 -11.943 7.392 0.218 1.00 0.00 O ATOM 1239 CB ARG A 914 -10.905 5.214 2.312 1.00 0.00 C ATOM 1240 CG ARG A 914 -12.384 5.201 2.686 1.00 0.00 C ATOM 1241 CD ARG A 914 -12.762 6.540 3.313 1.00 0.00 C ATOM 1242 NE ARG A 914 -13.516 6.346 4.552 1.00 0.00 N ATOM 1243 CZ ARG A 914 -14.822 6.048 4.568 1.00 0.00 C ATOM 1244 NH1 ARG A 914 -15.493 5.915 3.416 1.00 0.00 N ATOM 1245 NH2 ARG A 914 -15.458 5.884 5.736 1.00 0.00 N ATOM 0 H ARG A 914 -8.842 4.649 1.128 1.00 0.00 H new ATOM 0 HA ARG A 914 -11.578 4.864 0.309 1.00 0.00 H new ATOM 0 HB2 ARG A 914 -10.432 4.283 2.623 1.00 0.00 H new ATOM 0 HB3 ARG A 914 -10.394 6.022 2.835 1.00 0.00 H new ATOM 0 HG2 ARG A 914 -12.992 5.017 1.800 1.00 0.00 H new ATOM 0 HG3 ARG A 914 -12.586 4.390 3.385 1.00 0.00 H new ATOM 0 HD2 ARG A 914 -11.860 7.117 3.519 1.00 0.00 H new ATOM 0 HD3 ARG A 914 -13.357 7.120 2.608 1.00 0.00 H new ATOM 0 HE ARG A 914 -13.026 6.442 5.442 1.00 0.00 H new ATOM 0 HH11 ARG A 914 -15.009 6.041 2.527 1.00 0.00 H new ATOM 0 HH12 ARG A 914 -16.487 5.688 3.428 1.00 0.00 H new ATOM 0 HH21 ARG A 914 -14.948 5.986 6.613 1.00 0.00 H new ATOM 0 HH22 ARG A 914 -16.452 5.657 5.748 1.00 0.00 H new ATOM 1259 N LYS A 915 -9.698 7.533 0.339 1.00 0.00 N ATOM 1260 CA LYS A 915 -9.653 8.939 -0.011 1.00 0.00 C ATOM 1261 C LYS A 915 -9.485 9.092 -1.517 1.00 0.00 C ATOM 1262 O LYS A 915 -9.451 10.208 -2.029 1.00 0.00 O ATOM 1263 CB LYS A 915 -8.502 9.611 0.732 1.00 0.00 C ATOM 1264 CG LYS A 915 -8.884 9.798 2.197 1.00 0.00 C ATOM 1265 CD LYS A 915 -9.897 10.933 2.319 1.00 0.00 C ATOM 1266 CE LYS A 915 -10.526 10.907 3.709 1.00 0.00 C ATOM 1267 NZ LYS A 915 -10.086 12.061 4.509 1.00 0.00 N ATOM 0 H LYS A 915 -8.784 7.112 0.508 1.00 0.00 H new ATOM 0 HA LYS A 915 -10.587 9.420 0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 915 -7.601 9.003 0.655 1.00 0.00 H new ATOM 0 HB3 LYS A 915 -8.276 10.576 0.278 1.00 0.00 H new ATOM 0 HG2 LYS A 915 -9.307 8.875 2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 915 -7.997 10.023 2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 915 -9.407 11.892 2.148 1.00 0.00 H new ATOM 0 HD3 LYS A 915 -10.669 10.829 1.557 1.00 0.00 H new ATOM 0 HE2 LYS A 915 -11.612 10.914 3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 915 -10.254 9.982 4.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 915 -10.528 12.020 5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 915 -9.051 12.038 4.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 915 -10.368 12.941 4.032 1.00 0.00 H new ATOM 1281 N ARG A 916 -9.379 7.964 -2.224 1.00 0.00 N ATOM 1282 CA ARG A 916 -9.214 7.977 -3.663 1.00 0.00 C ATOM 1283 C ARG A 916 -7.997 8.812 -4.035 1.00 0.00 C ATOM 1284 O ARG A 916 -7.727 9.029 -5.215 1.00 0.00 O ATOM 1285 CB ARG A 916 -10.474 8.540 -4.314 1.00 0.00 C ATOM 1286 CG ARG A 916 -11.531 7.444 -4.408 1.00 0.00 C ATOM 1287 CD ARG A 916 -11.976 7.043 -3.004 1.00 0.00 C ATOM 1288 NE ARG A 916 -12.625 8.162 -2.319 1.00 0.00 N ATOM 1289 CZ ARG A 916 -13.578 7.991 -1.393 1.00 0.00 C ATOM 1290 NH1 ARG A 916 -13.973 6.755 -1.058 1.00 0.00 N ATOM 1291 NH2 ARG A 916 -14.136 9.056 -0.802 1.00 0.00 N ATOM 0 H ARG A 916 -9.406 7.031 -1.813 1.00 0.00 H new ATOM 0 HA ARG A 916 -9.057 6.960 -4.024 1.00 0.00 H new ATOM 0 HB2 ARG A 916 -10.855 9.378 -3.730 1.00 0.00 H new ATOM 0 HB3 ARG A 916 -10.243 8.923 -5.308 1.00 0.00 H new ATOM 0 HG2 ARG A 916 -12.386 7.797 -4.985 1.00 0.00 H new ATOM 0 HG3 ARG A 916 -11.127 6.579 -4.934 1.00 0.00 H new ATOM 0 HD2 ARG A 916 -12.665 6.200 -3.064 1.00 0.00 H new ATOM 0 HD3 ARG A 916 -11.114 6.710 -2.427 1.00 0.00 H new ATOM 0 HE ARG A 916 -12.340 9.112 -2.557 1.00 0.00 H new ATOM 0 HH11 ARG A 916 -13.548 5.944 -1.508 1.00 0.00 H new ATOM 0 HH12 ARG A 916 -14.699 6.625 -0.353 1.00 0.00 H new ATOM 0 HH21 ARG A 916 -13.835 9.997 -1.057 1.00 0.00 H new ATOM 0 HH22 ARG A 916 -14.862 8.926 -0.097 1.00 0.00 H new ATOM 1305 N ARG A 917 -7.260 9.280 -3.025 1.00 0.00 N ATOM 1306 CA ARG A 917 -6.078 10.087 -3.249 1.00 0.00 C ATOM 1307 C ARG A 917 -5.061 9.830 -2.147 1.00 0.00 C ATOM 1308 O ARG A 917 -5.355 10.025 -0.970 1.00 0.00 O ATOM 1309 CB ARG A 917 -6.471 11.562 -3.288 1.00 0.00 C ATOM 1310 CG ARG A 917 -6.472 12.125 -1.870 1.00 0.00 C ATOM 1311 CD ARG A 917 -5.043 12.461 -1.454 1.00 0.00 C ATOM 1312 NE ARG A 917 -4.893 13.893 -1.199 1.00 0.00 N ATOM 1313 CZ ARG A 917 -4.573 14.772 -2.159 1.00 0.00 C ATOM 1314 NH1 ARG A 917 -4.378 14.350 -3.416 1.00 0.00 N ATOM 1315 NH2 ARG A 917 -4.449 16.073 -1.862 1.00 0.00 N ATOM 0 H ARG A 917 -7.470 9.108 -2.042 1.00 0.00 H new ATOM 0 HA ARG A 917 -5.625 9.819 -4.203 1.00 0.00 H new ATOM 0 HB2 ARG A 917 -5.772 12.119 -3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 917 -7.458 11.675 -3.736 1.00 0.00 H new ATOM 0 HG2 ARG A 917 -7.095 13.018 -1.822 1.00 0.00 H new ATOM 0 HG3 ARG A 917 -6.902 11.399 -1.180 1.00 0.00 H new ATOM 0 HD2 ARG A 917 -4.780 11.899 -0.558 1.00 0.00 H new ATOM 0 HD3 ARG A 917 -4.351 12.153 -2.238 1.00 0.00 H new ATOM 0 HE ARG A 917 -5.038 14.238 -0.250 1.00 0.00 H new ATOM 0 HH11 ARG A 917 -4.473 13.360 -3.642 1.00 0.00 H new ATOM 0 HH12 ARG A 917 -4.135 15.019 -4.147 1.00 0.00 H new ATOM 0 HH21 ARG A 917 -4.598 16.394 -0.905 1.00 0.00 H new ATOM 0 HH22 ARG A 917 -4.205 16.742 -2.593 1.00 0.00 H new ATOM 1329 N LEU A 918 -3.860 9.390 -2.532 1.00 0.00 N ATOM 1330 CA LEU A 918 -2.807 9.109 -1.577 1.00 0.00 C ATOM 1331 C LEU A 918 -2.808 10.164 -0.480 1.00 0.00 C ATOM 1332 O LEU A 918 -2.745 11.358 -0.765 1.00 0.00 O ATOM 1333 CB LEU A 918 -1.462 9.080 -2.298 1.00 0.00 C ATOM 1334 CG LEU A 918 -1.272 7.721 -2.965 1.00 0.00 C ATOM 1335 CD1 LEU A 918 -2.327 6.747 -2.447 1.00 0.00 C ATOM 1336 CD2 LEU A 918 -1.415 7.871 -4.476 1.00 0.00 C ATOM 0 H LEU A 918 -3.601 9.223 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 918 -2.979 8.136 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 918 -1.421 9.873 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 918 -0.654 9.266 -1.591 1.00 0.00 H new ATOM 0 HG LEU A 918 -0.279 7.338 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 918 -2.191 5.776 -2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 918 -2.223 6.639 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 918 -3.321 7.130 -2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 918 -1.279 6.900 -4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 918 -2.408 8.255 -4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 918 -0.660 8.565 -4.846 1.00 0.00 H new ATOM 1348 N VAL A 919 -2.879 9.721 0.777 1.00 0.00 N ATOM 1349 CA VAL A 919 -2.888 10.626 1.908 1.00 0.00 C ATOM 1350 C VAL A 919 -1.500 10.686 2.530 1.00 0.00 C ATOM 1351 O VAL A 919 -0.531 10.219 1.936 1.00 0.00 O ATOM 1352 CB VAL A 919 -3.919 10.153 2.929 1.00 0.00 C ATOM 1353 CG1 VAL A 919 -5.066 9.453 2.207 1.00 0.00 C ATOM 1354 CG2 VAL A 919 -3.260 9.180 3.902 1.00 0.00 C ATOM 0 H VAL A 919 -2.931 8.734 1.029 1.00 0.00 H new ATOM 0 HA VAL A 919 -3.159 11.628 1.576 1.00 0.00 H new ATOM 0 HB VAL A 919 -4.307 11.011 3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 919 -5.803 9.115 2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 919 -5.536 10.148 1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 919 -4.680 8.595 1.657 1.00 0.00 H new ATOM 0 HG21 VAL A 919 -3.995 8.841 4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 919 -2.873 8.322 3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 919 -2.441 9.680 4.418 1.00 0.00 H new ATOM 1364 N ALA A 920 -1.407 11.264 3.730 1.00 0.00 N ATOM 1365 CA ALA A 920 -0.141 11.383 4.425 1.00 0.00 C ATOM 1366 C ALA A 920 0.372 10.000 4.803 1.00 0.00 C ATOM 1367 O ALA A 920 -0.217 9.327 5.646 1.00 0.00 O ATOM 1368 CB ALA A 920 -0.322 12.251 5.666 1.00 0.00 C ATOM 0 H ALA A 920 -2.202 11.656 4.235 1.00 0.00 H new ATOM 0 HA ALA A 920 0.593 11.855 3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 920 0.630 12.341 6.189 1.00 0.00 H new ATOM 0 HB2 ALA A 920 -0.668 13.241 5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 920 -1.057 11.792 6.327 1.00 0.00 H new ATOM 1374 N PRO A 921 1.472 9.577 4.176 1.00 0.00 N ATOM 1375 CA PRO A 921 2.101 8.295 4.408 1.00 0.00 C ATOM 1376 C PRO A 921 2.791 8.302 5.764 1.00 0.00 C ATOM 1377 O PRO A 921 3.565 9.208 6.064 1.00 0.00 O ATOM 1378 CB PRO A 921 3.117 8.147 3.277 1.00 0.00 C ATOM 1379 CG PRO A 921 3.506 9.595 2.981 1.00 0.00 C ATOM 1380 CD PRO A 921 2.190 10.343 3.180 1.00 0.00 C ATOM 0 HA PRO A 921 1.390 7.469 4.418 1.00 0.00 H new ATOM 0 HB2 PRO A 921 3.977 7.551 3.581 1.00 0.00 H new ATOM 0 HB3 PRO A 921 2.683 7.658 2.405 1.00 0.00 H new ATOM 0 HG2 PRO A 921 4.282 9.953 3.658 1.00 0.00 H new ATOM 0 HG3 PRO A 921 3.889 9.712 1.967 1.00 0.00 H new ATOM 0 HD2 PRO A 921 2.364 11.365 3.517 1.00 0.00 H new ATOM 0 HD3 PRO A 921 1.627 10.406 2.249 1.00 0.00 H new ATOM 1388 N CYS A 922 2.505 7.288 6.585 1.00 0.00 N ATOM 1389 CA CYS A 922 3.094 7.178 7.904 1.00 0.00 C ATOM 1390 C CYS A 922 2.765 5.816 8.498 1.00 0.00 C ATOM 1391 O CYS A 922 3.602 5.209 9.162 1.00 0.00 O ATOM 1392 CB CYS A 922 2.564 8.300 8.793 1.00 0.00 C ATOM 1393 SG CYS A 922 0.800 8.523 8.456 1.00 0.00 S ATOM 0 H CYS A 922 1.863 6.531 6.349 1.00 0.00 H new ATOM 0 HA CYS A 922 4.178 7.272 7.834 1.00 0.00 H new ATOM 0 HB2 CYS A 922 2.720 8.055 9.844 1.00 0.00 H new ATOM 0 HB3 CYS A 922 3.106 9.225 8.597 1.00 0.00 H new ATOM 0 HG CYS A 922 0.637 8.880 7.217 1.00 0.00 H new