USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 611 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 18 HIS HE2 : A 18 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 83 SER OG : rot 127:sc= 1.01 USER MOD Set 1.2: A 85 THR OG1 : rot 180:sc= 0.9 USER MOD Set 2.1: A 53 CYS SG : rot 50:sc= 1.06 USER MOD Set 2.2: A 64 LYS NZ :NH3+ -140:sc= 1.47 (180deg=-0.115) USER MOD Set 3.1: A 46 ASN : amide:sc= -0.123 X(o=0.21,f=-0.014) USER MOD Set 3.2: A 52 LYS NZ :NH3+ -159:sc= 0.328 (180deg=0) USER MOD Set 4.1: A 26 ASN : amide:sc= -0.876 K(o=-0.32,f=-1.2) USER MOD Set 4.2: A 33 THR OG1 : rot 90:sc= 0.56 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0 (180deg=-0.119) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.406 K(o=-0.41,f=-4.2!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.775 K(o=-0.78,f=-1.8) USER MOD Single : A 54 SER OG : rot 46:sc= 0.533 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 70 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0217 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 43.687 12.210 29.206 1.00 0.00 N ATOM 2 CA MET A 1 44.379 11.472 30.300 1.00 0.00 C ATOM 3 C MET A 1 43.335 10.854 31.224 1.00 0.00 C ATOM 4 O MET A 1 42.413 11.535 31.677 1.00 0.00 O ATOM 5 CB MET A 1 45.275 12.440 31.096 1.00 0.00 C ATOM 6 CG MET A 1 46.549 12.789 30.301 1.00 0.00 C ATOM 7 SD MET A 1 47.783 11.461 30.464 1.00 0.00 S ATOM 8 CE MET A 1 48.724 12.113 31.869 1.00 0.00 C ATOM 0 H1 MET A 1 44.364 12.415 28.443 1.00 0.00 H new ATOM 0 H2 MET A 1 42.910 11.629 28.832 1.00 0.00 H new ATOM 0 H3 MET A 1 43.304 13.103 29.578 1.00 0.00 H new ATOM 0 HA MET A 1 45.001 10.685 29.874 1.00 0.00 H new ATOM 0 HB2 MET A 1 44.722 13.351 31.322 1.00 0.00 H new ATOM 0 HB3 MET A 1 45.549 11.988 32.049 1.00 0.00 H new ATOM 0 HG2 MET A 1 46.300 12.936 29.250 1.00 0.00 H new ATOM 0 HG3 MET A 1 46.966 13.728 30.664 1.00 0.00 H new ATOM 0 HE1 MET A 1 49.533 11.425 32.116 1.00 0.00 H new ATOM 0 HE2 MET A 1 49.142 13.085 31.607 1.00 0.00 H new ATOM 0 HE3 MET A 1 48.064 12.221 32.730 1.00 0.00 H new ATOM 20 N GLY A 2 43.488 9.560 31.493 1.00 0.00 N ATOM 21 CA GLY A 2 42.559 8.849 32.364 1.00 0.00 C ATOM 22 C GLY A 2 41.230 8.627 31.666 1.00 0.00 C ATOM 23 O GLY A 2 40.207 8.442 32.332 1.00 0.00 O ATOM 0 H GLY A 2 44.244 8.985 31.121 1.00 0.00 H new ATOM 0 HA2 GLY A 2 42.987 7.890 32.654 1.00 0.00 H new ATOM 0 HA3 GLY A 2 42.403 9.419 33.280 1.00 0.00 H new ATOM 27 N ALA A 3 41.254 8.655 30.322 1.00 0.00 N ATOM 28 CA ALA A 3 40.038 8.456 29.534 1.00 0.00 C ATOM 29 C ALA A 3 40.381 7.969 28.108 1.00 0.00 C ATOM 30 O ALA A 3 41.552 8.016 27.724 1.00 0.00 O ATOM 31 CB ALA A 3 39.255 9.775 29.448 1.00 0.00 C ATOM 0 H ALA A 3 42.096 8.812 29.769 1.00 0.00 H new ATOM 0 HA ALA A 3 39.430 7.696 30.026 1.00 0.00 H new ATOM 0 HB1 ALA A 3 38.350 9.623 28.860 1.00 0.00 H new ATOM 0 HB2 ALA A 3 38.985 10.104 30.452 1.00 0.00 H new ATOM 0 HB3 ALA A 3 39.874 10.535 28.971 1.00 0.00 H new ATOM 37 N PRO A 4 39.411 7.519 27.299 1.00 0.00 N ATOM 38 CA PRO A 4 39.710 7.061 25.904 1.00 0.00 C ATOM 39 C PRO A 4 40.331 8.167 25.060 1.00 0.00 C ATOM 40 O PRO A 4 40.001 9.343 25.253 1.00 0.00 O ATOM 41 CB PRO A 4 38.350 6.663 25.317 1.00 0.00 C ATOM 42 CG PRO A 4 37.399 6.564 26.457 1.00 0.00 C ATOM 43 CD PRO A 4 37.958 7.388 27.598 1.00 0.00 C ATOM 0 HA PRO A 4 40.430 6.242 25.910 1.00 0.00 H new ATOM 0 HB2 PRO A 4 38.010 7.404 24.594 1.00 0.00 H new ATOM 0 HB3 PRO A 4 38.421 5.712 24.789 1.00 0.00 H new ATOM 0 HG2 PRO A 4 36.415 6.932 26.167 1.00 0.00 H new ATOM 0 HG3 PRO A 4 37.274 5.525 26.761 1.00 0.00 H new ATOM 0 HD2 PRO A 4 37.476 8.364 27.654 1.00 0.00 H new ATOM 0 HD3 PRO A 4 37.795 6.897 28.557 1.00 0.00 H new ATOM 51 N VAL A 5 41.231 7.767 24.142 1.00 0.00 N ATOM 52 CA VAL A 5 41.928 8.702 23.256 1.00 0.00 C ATOM 53 C VAL A 5 42.046 8.093 21.836 1.00 0.00 C ATOM 54 O VAL A 5 42.016 6.864 21.722 1.00 0.00 O ATOM 55 CB VAL A 5 43.353 8.998 23.802 1.00 0.00 C ATOM 56 CG1 VAL A 5 43.342 10.213 24.745 1.00 0.00 C ATOM 57 CG2 VAL A 5 43.910 7.789 24.567 1.00 0.00 C ATOM 0 H VAL A 5 41.490 6.791 23.999 1.00 0.00 H new ATOM 0 HA VAL A 5 41.358 9.630 23.212 1.00 0.00 H new ATOM 0 HB VAL A 5 43.988 9.211 22.942 1.00 0.00 H new ATOM 0 HG11 VAL A 5 44.351 10.398 25.112 1.00 0.00 H new ATOM 0 HG12 VAL A 5 42.987 11.090 24.204 1.00 0.00 H new ATOM 0 HG13 VAL A 5 42.680 10.014 25.588 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.908 8.022 24.939 1.00 0.00 H new ATOM 0 HG22 VAL A 5 43.255 7.557 25.407 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.963 6.929 23.899 1.00 0.00 H new ATOM 67 N PRO A 6 42.179 8.891 20.751 1.00 0.00 N ATOM 68 CA PRO A 6 42.321 8.336 19.361 1.00 0.00 C ATOM 69 C PRO A 6 43.410 7.277 19.261 1.00 0.00 C ATOM 70 O PRO A 6 43.263 6.284 18.546 1.00 0.00 O ATOM 71 CB PRO A 6 42.721 9.538 18.501 1.00 0.00 C ATOM 72 CG PRO A 6 42.318 10.754 19.252 1.00 0.00 C ATOM 73 CD PRO A 6 42.192 10.379 20.714 1.00 0.00 C ATOM 0 HA PRO A 6 41.394 7.854 19.049 1.00 0.00 H new ATOM 0 HB2 PRO A 6 43.794 9.538 18.312 1.00 0.00 H new ATOM 0 HB3 PRO A 6 42.226 9.501 17.530 1.00 0.00 H new ATOM 0 HG2 PRO A 6 43.058 11.544 19.123 1.00 0.00 H new ATOM 0 HG3 PRO A 6 41.371 11.139 18.874 1.00 0.00 H new ATOM 0 HD2 PRO A 6 43.025 10.777 21.293 1.00 0.00 H new ATOM 0 HD3 PRO A 6 41.279 10.789 21.146 1.00 0.00 H new ATOM 81 N TYR A 7 44.502 7.508 19.985 1.00 0.00 N ATOM 82 CA TYR A 7 45.619 6.579 19.983 1.00 0.00 C ATOM 83 C TYR A 7 45.153 5.191 20.513 1.00 0.00 C ATOM 84 O TYR A 7 44.739 5.128 21.673 1.00 0.00 O ATOM 85 CB TYR A 7 46.724 7.103 20.897 1.00 0.00 C ATOM 86 CG TYR A 7 47.744 7.875 20.050 1.00 0.00 C ATOM 87 CD1 TYR A 7 47.414 9.168 19.616 1.00 0.00 C ATOM 88 CD2 TYR A 7 48.980 7.319 19.718 1.00 0.00 C ATOM 89 CE1 TYR A 7 48.329 9.898 18.849 1.00 0.00 C ATOM 90 CE2 TYR A 7 49.896 8.048 18.953 1.00 0.00 C ATOM 91 CZ TYR A 7 49.570 9.338 18.520 1.00 0.00 C ATOM 92 OH TYR A 7 50.472 10.057 17.761 1.00 0.00 O ATOM 0 H TYR A 7 44.633 8.328 20.577 1.00 0.00 H new ATOM 0 HA TYR A 7 45.992 6.480 18.964 1.00 0.00 H new ATOM 0 HB2 TYR A 7 46.302 7.752 21.664 1.00 0.00 H new ATOM 0 HB3 TYR A 7 47.211 6.275 21.412 1.00 0.00 H new ATOM 0 HD1 TYR A 7 46.457 9.598 19.873 1.00 0.00 H new ATOM 0 HD2 TYR A 7 49.230 6.323 20.053 1.00 0.00 H new ATOM 0 HE1 TYR A 7 48.078 10.893 18.511 1.00 0.00 H new ATOM 0 HE2 TYR A 7 50.852 7.616 18.697 1.00 0.00 H new ATOM 0 HH TYR A 7 51.283 9.524 17.625 1.00 0.00 H new ATOM 102 N PRO A 8 45.183 4.084 19.749 1.00 0.00 N ATOM 103 CA PRO A 8 44.718 2.758 20.275 1.00 0.00 C ATOM 104 C PRO A 8 45.753 2.082 21.176 1.00 0.00 C ATOM 105 O PRO A 8 45.584 0.924 21.566 1.00 0.00 O ATOM 106 CB PRO A 8 44.463 1.945 19.000 1.00 0.00 C ATOM 107 CG PRO A 8 45.421 2.476 17.998 1.00 0.00 C ATOM 108 CD PRO A 8 45.645 3.940 18.338 1.00 0.00 C ATOM 0 HA PRO A 8 43.838 2.853 20.911 1.00 0.00 H new ATOM 0 HB2 PRO A 8 44.625 0.881 19.173 1.00 0.00 H new ATOM 0 HB3 PRO A 8 43.434 2.060 18.660 1.00 0.00 H new ATOM 0 HG2 PRO A 8 46.360 1.924 18.030 1.00 0.00 H new ATOM 0 HG3 PRO A 8 45.023 2.370 16.989 1.00 0.00 H new ATOM 0 HD2 PRO A 8 46.696 4.212 18.237 1.00 0.00 H new ATOM 0 HD3 PRO A 8 45.081 4.591 17.670 1.00 0.00 H new ATOM 116 N ASP A 9 46.816 2.823 21.494 1.00 0.00 N ATOM 117 CA ASP A 9 47.908 2.323 22.350 1.00 0.00 C ATOM 118 C ASP A 9 48.514 3.469 23.191 1.00 0.00 C ATOM 119 O ASP A 9 49.618 3.916 22.897 1.00 0.00 O ATOM 120 CB ASP A 9 49.001 1.696 21.474 1.00 0.00 C ATOM 121 CG ASP A 9 48.475 0.413 20.835 1.00 0.00 C ATOM 122 OD1 ASP A 9 48.407 -0.588 21.531 1.00 0.00 O ATOM 123 OD2 ASP A 9 48.127 0.455 19.664 1.00 0.00 O ATOM 0 H ASP A 9 46.950 3.781 21.171 1.00 0.00 H new ATOM 0 HA ASP A 9 47.502 1.572 23.028 1.00 0.00 H new ATOM 0 HB2 ASP A 9 49.309 2.399 20.700 1.00 0.00 H new ATOM 0 HB3 ASP A 9 49.883 1.479 22.076 1.00 0.00 H new ATOM 128 N PRO A 10 47.829 3.966 24.224 1.00 0.00 N ATOM 129 CA PRO A 10 48.374 5.071 25.083 1.00 0.00 C ATOM 130 C PRO A 10 49.727 4.714 25.696 1.00 0.00 C ATOM 131 O PRO A 10 50.575 5.582 25.907 1.00 0.00 O ATOM 132 CB PRO A 10 47.329 5.254 26.188 1.00 0.00 C ATOM 133 CG PRO A 10 46.078 4.628 25.682 1.00 0.00 C ATOM 134 CD PRO A 10 46.479 3.558 24.682 1.00 0.00 C ATOM 0 HA PRO A 10 48.543 5.975 24.497 1.00 0.00 H new ATOM 0 HB2 PRO A 10 47.655 4.780 27.114 1.00 0.00 H new ATOM 0 HB3 PRO A 10 47.175 6.311 26.407 1.00 0.00 H new ATOM 0 HG2 PRO A 10 45.508 4.192 26.502 1.00 0.00 H new ATOM 0 HG3 PRO A 10 45.439 5.374 25.210 1.00 0.00 H new ATOM 0 HD2 PRO A 10 46.498 2.571 25.143 1.00 0.00 H new ATOM 0 HD3 PRO A 10 45.776 3.508 23.851 1.00 0.00 H new ATOM 142 N LEU A 11 49.903 3.430 25.995 1.00 0.00 N ATOM 143 CA LEU A 11 51.148 2.938 26.591 1.00 0.00 C ATOM 144 C LEU A 11 52.269 2.941 25.577 1.00 0.00 C ATOM 145 O LEU A 11 53.403 3.236 25.954 1.00 0.00 O ATOM 146 CB LEU A 11 50.974 1.510 27.133 1.00 0.00 C ATOM 147 CG LEU A 11 50.005 1.479 28.355 1.00 0.00 C ATOM 148 CD1 LEU A 11 49.629 0.028 28.691 1.00 0.00 C ATOM 149 CD2 LEU A 11 50.602 2.143 29.629 1.00 0.00 C ATOM 0 H LEU A 11 49.200 2.708 25.835 1.00 0.00 H new ATOM 0 HA LEU A 11 51.399 3.608 27.413 1.00 0.00 H new ATOM 0 HB2 LEU A 11 50.588 0.864 26.344 1.00 0.00 H new ATOM 0 HB3 LEU A 11 51.945 1.110 27.426 1.00 0.00 H new ATOM 0 HG LEU A 11 49.127 2.054 28.061 1.00 0.00 H new ATOM 0 HD11 LEU A 11 48.952 0.016 29.545 1.00 0.00 H new ATOM 0 HD12 LEU A 11 49.137 -0.429 27.832 1.00 0.00 H new ATOM 0 HD13 LEU A 11 50.530 -0.534 28.934 1.00 0.00 H new ATOM 0 HD21 LEU A 11 49.878 2.088 30.442 1.00 0.00 H new ATOM 0 HD22 LEU A 11 51.513 1.620 29.919 1.00 0.00 H new ATOM 0 HD23 LEU A 11 50.834 3.187 29.420 1.00 0.00 H new ATOM 161 N GLU A 12 51.922 2.596 24.311 1.00 0.00 N ATOM 162 CA GLU A 12 52.878 2.521 23.170 1.00 0.00 C ATOM 163 C GLU A 12 54.327 2.224 23.639 1.00 0.00 C ATOM 164 O GLU A 12 55.190 3.100 23.582 1.00 0.00 O ATOM 165 CB GLU A 12 52.830 3.825 22.326 1.00 0.00 C ATOM 166 CG GLU A 12 52.781 5.084 23.214 1.00 0.00 C ATOM 167 CD GLU A 12 53.046 6.335 22.378 1.00 0.00 C ATOM 168 OE1 GLU A 12 52.770 6.314 21.191 1.00 0.00 O ATOM 169 OE2 GLU A 12 53.524 7.301 22.952 1.00 0.00 O ATOM 0 H GLU A 12 50.965 2.360 24.049 1.00 0.00 H new ATOM 0 HA GLU A 12 52.565 1.686 22.543 1.00 0.00 H new ATOM 0 HB2 GLU A 12 53.706 3.871 21.679 1.00 0.00 H new ATOM 0 HB3 GLU A 12 51.955 3.805 21.676 1.00 0.00 H new ATOM 0 HG2 GLU A 12 51.806 5.160 23.695 1.00 0.00 H new ATOM 0 HG3 GLU A 12 53.523 5.006 24.009 1.00 0.00 H new ATOM 176 N PRO A 13 54.625 1.033 24.148 1.00 0.00 N ATOM 177 CA PRO A 13 56.003 0.734 24.648 1.00 0.00 C ATOM 178 C PRO A 13 57.071 0.931 23.571 1.00 0.00 C ATOM 179 O PRO A 13 56.834 0.672 22.393 1.00 0.00 O ATOM 180 CB PRO A 13 55.949 -0.735 25.069 1.00 0.00 C ATOM 181 CG PRO A 13 54.507 -1.078 25.218 1.00 0.00 C ATOM 182 CD PRO A 13 53.728 -0.136 24.313 1.00 0.00 C ATOM 0 HA PRO A 13 56.278 1.407 25.460 1.00 0.00 H new ATOM 0 HB2 PRO A 13 56.424 -1.371 24.322 1.00 0.00 H new ATOM 0 HB3 PRO A 13 56.484 -0.890 26.006 1.00 0.00 H new ATOM 0 HG2 PRO A 13 54.327 -2.116 24.939 1.00 0.00 H new ATOM 0 HG3 PRO A 13 54.190 -0.967 26.255 1.00 0.00 H new ATOM 0 HD2 PRO A 13 53.500 -0.602 23.354 1.00 0.00 H new ATOM 0 HD3 PRO A 13 52.777 0.152 24.761 1.00 0.00 H new ATOM 190 N ARG A 14 58.241 1.405 23.990 1.00 0.00 N ATOM 191 CA ARG A 14 59.335 1.648 23.055 1.00 0.00 C ATOM 192 C ARG A 14 59.782 0.334 22.424 1.00 0.00 C ATOM 193 O ARG A 14 60.091 0.280 21.235 1.00 0.00 O ATOM 194 CB ARG A 14 60.526 2.287 23.792 1.00 0.00 C ATOM 195 CG ARG A 14 60.196 3.742 24.220 1.00 0.00 C ATOM 196 CD ARG A 14 61.325 4.331 25.086 1.00 0.00 C ATOM 197 NE ARG A 14 61.017 5.717 25.422 1.00 0.00 N ATOM 198 CZ ARG A 14 61.787 6.421 26.241 1.00 0.00 C ATOM 199 NH1 ARG A 14 62.860 5.878 26.755 1.00 0.00 N ATOM 200 NH2 ARG A 14 61.468 7.647 26.544 1.00 0.00 N ATOM 0 H ARG A 14 58.455 1.627 24.962 1.00 0.00 H new ATOM 0 HA ARG A 14 58.985 2.325 22.276 1.00 0.00 H new ATOM 0 HB2 ARG A 14 60.776 1.693 24.671 1.00 0.00 H new ATOM 0 HB3 ARG A 14 61.403 2.284 23.145 1.00 0.00 H new ATOM 0 HG2 ARG A 14 60.051 4.361 23.335 1.00 0.00 H new ATOM 0 HG3 ARG A 14 59.259 3.758 24.777 1.00 0.00 H new ATOM 0 HD2 ARG A 14 61.442 3.744 25.997 1.00 0.00 H new ATOM 0 HD3 ARG A 14 62.272 4.279 24.550 1.00 0.00 H new ATOM 0 HE ARG A 14 60.190 6.155 25.017 1.00 0.00 H new ATOM 0 HH11 ARG A 14 63.104 4.914 26.526 1.00 0.00 H new ATOM 0 HH12 ARG A 14 63.453 6.418 27.385 1.00 0.00 H new ATOM 0 HH21 ARG A 14 60.625 8.067 26.151 1.00 0.00 H new ATOM 0 HH22 ARG A 14 62.061 8.187 27.174 1.00 0.00 H new ATOM 214 N GLY A 15 59.810 -0.723 23.229 1.00 0.00 N ATOM 215 CA GLY A 15 60.218 -2.036 22.740 1.00 0.00 C ATOM 216 C GLY A 15 61.682 -2.035 22.310 1.00 0.00 C ATOM 217 O GLY A 15 62.547 -1.516 23.017 1.00 0.00 O ATOM 0 H GLY A 15 59.557 -0.698 24.217 1.00 0.00 H new ATOM 0 HA2 GLY A 15 60.066 -2.781 23.521 1.00 0.00 H new ATOM 0 HA3 GLY A 15 59.589 -2.325 21.898 1.00 0.00 H new ATOM 221 N GLY A 16 61.952 -2.618 21.144 1.00 0.00 N ATOM 222 CA GLY A 16 63.315 -2.680 20.626 1.00 0.00 C ATOM 223 C GLY A 16 63.791 -1.307 20.186 1.00 0.00 C ATOM 224 O GLY A 16 63.021 -0.515 19.645 1.00 0.00 O ATOM 0 H GLY A 16 61.250 -3.051 20.544 1.00 0.00 H new ATOM 0 HA2 GLY A 16 63.982 -3.072 21.394 1.00 0.00 H new ATOM 0 HA3 GLY A 16 63.357 -3.371 19.784 1.00 0.00 H new ATOM 228 N LYS A 17 65.067 -1.036 20.414 1.00 0.00 N ATOM 229 CA LYS A 17 65.648 0.238 20.037 1.00 0.00 C ATOM 230 C LYS A 17 65.728 0.300 18.528 1.00 0.00 C ATOM 231 O LYS A 17 65.326 1.280 17.930 1.00 0.00 O ATOM 232 CB LYS A 17 67.061 0.371 20.658 1.00 0.00 C ATOM 233 CG LYS A 17 67.076 0.026 22.181 1.00 0.00 C ATOM 234 CD LYS A 17 66.107 0.924 22.985 1.00 0.00 C ATOM 235 CE LYS A 17 66.476 0.923 24.458 1.00 0.00 C ATOM 236 NZ LYS A 17 65.329 1.478 25.227 1.00 0.00 N ATOM 0 H LYS A 17 65.718 -1.683 20.859 1.00 0.00 H new ATOM 0 HA LYS A 17 65.032 1.059 20.405 1.00 0.00 H new ATOM 0 HB2 LYS A 17 67.750 -0.290 20.132 1.00 0.00 H new ATOM 0 HB3 LYS A 17 67.424 1.389 20.515 1.00 0.00 H new ATOM 0 HG2 LYS A 17 66.801 -1.020 22.319 1.00 0.00 H new ATOM 0 HG3 LYS A 17 68.087 0.144 22.570 1.00 0.00 H new ATOM 0 HD2 LYS A 17 66.139 1.942 22.597 1.00 0.00 H new ATOM 0 HD3 LYS A 17 65.084 0.568 22.860 1.00 0.00 H new ATOM 0 HE2 LYS A 17 66.703 -0.089 24.792 1.00 0.00 H new ATOM 0 HE3 LYS A 17 67.371 1.522 24.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 65.562 1.486 26.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 65.135 2.449 24.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 64.487 0.887 25.070 1.00 0.00 H new ATOM 250 N HIS A 18 66.294 -0.741 17.940 1.00 0.00 N ATOM 251 CA HIS A 18 66.484 -0.805 16.492 1.00 0.00 C ATOM 252 C HIS A 18 65.229 -0.489 15.684 1.00 0.00 C ATOM 253 O HIS A 18 65.342 0.028 14.571 1.00 0.00 O ATOM 254 CB HIS A 18 66.919 -2.217 16.094 1.00 0.00 C ATOM 255 CG HIS A 18 68.079 -2.216 15.128 1.00 0.00 C ATOM 256 ND1 HIS A 18 69.011 -3.231 15.142 1.00 0.00 N ATOM 257 CD2 HIS A 18 68.473 -1.353 14.142 1.00 0.00 C ATOM 258 CE1 HIS A 18 69.917 -2.952 14.191 1.00 0.00 C ATOM 259 NE2 HIS A 18 69.634 -1.805 13.541 1.00 0.00 N ATOM 0 H HIS A 18 66.633 -1.561 18.443 1.00 0.00 H new ATOM 0 HA HIS A 18 67.236 -0.049 16.266 1.00 0.00 H new ATOM 0 HB2 HIS A 18 67.197 -2.774 16.989 1.00 0.00 H new ATOM 0 HB3 HIS A 18 66.076 -2.739 15.643 1.00 0.00 H new ATOM 0 HD1 HIS A 18 69.012 -4.043 15.760 1.00 0.00 H new ATOM 0 HD2 HIS A 18 67.951 -0.447 13.871 1.00 0.00 H new ATOM 0 HE1 HIS A 18 70.773 -3.574 13.972 1.00 0.00 H new ATOM 266 N ILE A 19 64.066 -0.818 16.255 1.00 0.00 N ATOM 267 CA ILE A 19 62.766 -0.601 15.604 1.00 0.00 C ATOM 268 C ILE A 19 62.012 0.505 16.319 1.00 0.00 C ATOM 269 O ILE A 19 61.662 0.367 17.493 1.00 0.00 O ATOM 270 CB ILE A 19 61.919 -1.908 15.638 1.00 0.00 C ATOM 271 CG1 ILE A 19 62.552 -2.983 14.709 1.00 0.00 C ATOM 272 CG2 ILE A 19 60.451 -1.647 15.177 1.00 0.00 C ATOM 273 CD1 ILE A 19 62.205 -4.408 15.194 1.00 0.00 C ATOM 0 H ILE A 19 63.997 -1.242 17.180 1.00 0.00 H new ATOM 0 HA ILE A 19 62.939 -0.315 14.566 1.00 0.00 H new ATOM 0 HB ILE A 19 61.908 -2.263 16.668 1.00 0.00 H new ATOM 0 HG12 ILE A 19 62.193 -2.845 13.689 1.00 0.00 H new ATOM 0 HG13 ILE A 19 63.634 -2.857 14.685 1.00 0.00 H new ATOM 0 HG21 ILE A 19 59.887 -2.579 15.212 1.00 0.00 H new ATOM 0 HG22 ILE A 19 59.986 -0.916 15.839 1.00 0.00 H new ATOM 0 HG23 ILE A 19 60.453 -1.263 14.157 1.00 0.00 H new ATOM 0 HD11 ILE A 19 62.660 -5.140 14.527 1.00 0.00 H new ATOM 0 HD12 ILE A 19 62.587 -4.551 16.205 1.00 0.00 H new ATOM 0 HD13 ILE A 19 61.123 -4.539 15.193 1.00 0.00 H new ATOM 285 N CYS A 20 61.732 1.576 15.590 1.00 0.00 N ATOM 286 CA CYS A 20 60.974 2.687 16.152 1.00 0.00 C ATOM 287 C CYS A 20 59.505 2.268 16.262 1.00 0.00 C ATOM 288 O CYS A 20 59.037 1.452 15.473 1.00 0.00 O ATOM 289 CB CYS A 20 61.123 3.919 15.259 1.00 0.00 C ATOM 290 SG CYS A 20 60.045 5.241 15.847 1.00 0.00 S ATOM 0 H CYS A 20 62.014 1.700 14.618 1.00 0.00 H new ATOM 0 HA CYS A 20 61.351 2.941 17.143 1.00 0.00 H new ATOM 0 HB2 CYS A 20 62.160 4.256 15.260 1.00 0.00 H new ATOM 0 HB3 CYS A 20 60.872 3.665 14.229 1.00 0.00 H new ATOM 295 N ALA A 21 58.792 2.800 17.254 1.00 0.00 N ATOM 296 CA ALA A 21 57.385 2.443 17.465 1.00 0.00 C ATOM 297 C ALA A 21 56.480 3.144 16.460 1.00 0.00 C ATOM 298 O ALA A 21 55.309 2.779 16.324 1.00 0.00 O ATOM 299 CB ALA A 21 56.964 2.853 18.875 1.00 0.00 C ATOM 0 H ALA A 21 59.161 3.476 17.922 1.00 0.00 H new ATOM 0 HA ALA A 21 57.286 1.366 17.333 1.00 0.00 H new ATOM 0 HB1 ALA A 21 55.919 2.589 19.034 1.00 0.00 H new ATOM 0 HB2 ALA A 21 57.585 2.334 19.605 1.00 0.00 H new ATOM 0 HB3 ALA A 21 57.088 3.929 18.993 1.00 0.00 H new ATOM 305 N ILE A 22 57.049 4.160 15.797 1.00 0.00 N ATOM 306 CA ILE A 22 56.340 4.989 14.806 1.00 0.00 C ATOM 307 C ILE A 22 56.928 4.775 13.403 1.00 0.00 C ATOM 308 O ILE A 22 56.318 4.114 12.561 1.00 0.00 O ATOM 309 CB ILE A 22 56.451 6.493 15.221 1.00 0.00 C ATOM 310 CG1 ILE A 22 55.637 6.752 16.521 1.00 0.00 C ATOM 311 CG2 ILE A 22 55.909 7.440 14.109 1.00 0.00 C ATOM 312 CD1 ILE A 22 56.230 7.929 17.323 1.00 0.00 C ATOM 0 H ILE A 22 58.022 4.434 15.933 1.00 0.00 H new ATOM 0 HA ILE A 22 55.290 4.697 14.779 1.00 0.00 H new ATOM 0 HB ILE A 22 57.508 6.703 15.382 1.00 0.00 H new ATOM 0 HG12 ILE A 22 54.599 6.967 16.267 1.00 0.00 H new ATOM 0 HG13 ILE A 22 55.634 5.853 17.137 1.00 0.00 H new ATOM 0 HG21 ILE A 22 56.003 8.476 14.435 1.00 0.00 H new ATOM 0 HG22 ILE A 22 56.484 7.294 13.195 1.00 0.00 H new ATOM 0 HG23 ILE A 22 54.860 7.214 13.918 1.00 0.00 H new ATOM 0 HD11 ILE A 22 55.641 8.087 18.226 1.00 0.00 H new ATOM 0 HD12 ILE A 22 57.260 7.700 17.597 1.00 0.00 H new ATOM 0 HD13 ILE A 22 56.209 8.832 16.713 1.00 0.00 H new ATOM 324 N CYS A 23 58.083 5.391 13.142 1.00 0.00 N ATOM 325 CA CYS A 23 58.723 5.335 11.829 1.00 0.00 C ATOM 326 C CYS A 23 59.182 3.938 11.457 1.00 0.00 C ATOM 327 O CYS A 23 59.582 3.704 10.316 1.00 0.00 O ATOM 328 CB CYS A 23 59.928 6.265 11.807 1.00 0.00 C ATOM 329 SG CYS A 23 59.654 7.688 12.895 1.00 0.00 S ATOM 0 H CYS A 23 58.597 5.939 13.831 1.00 0.00 H new ATOM 0 HA CYS A 23 57.974 5.645 11.100 1.00 0.00 H new ATOM 0 HB2 CYS A 23 60.819 5.723 12.125 1.00 0.00 H new ATOM 0 HB3 CYS A 23 60.111 6.608 10.789 1.00 0.00 H new ATOM 334 N GLY A 24 59.114 3.028 12.414 1.00 0.00 N ATOM 335 CA GLY A 24 59.505 1.652 12.183 1.00 0.00 C ATOM 336 C GLY A 24 61.012 1.439 12.218 1.00 0.00 C ATOM 337 O GLY A 24 61.433 0.296 12.377 1.00 0.00 O ATOM 0 H GLY A 24 58.790 3.221 13.362 1.00 0.00 H new ATOM 0 HA2 GLY A 24 59.038 1.018 12.936 1.00 0.00 H new ATOM 0 HA3 GLY A 24 59.122 1.331 11.214 1.00 0.00 H new ATOM 341 N ASN A 25 61.846 2.497 12.050 1.00 0.00 N ATOM 342 CA ASN A 25 63.320 2.297 12.058 1.00 0.00 C ATOM 343 C ASN A 25 64.164 3.593 12.237 1.00 0.00 C ATOM 344 O ASN A 25 65.362 3.559 11.944 1.00 0.00 O ATOM 345 CB ASN A 25 63.750 1.606 10.739 1.00 0.00 C ATOM 346 CG ASN A 25 63.475 2.521 9.551 1.00 0.00 C ATOM 347 OD1 ASN A 25 62.723 3.491 9.667 1.00 0.00 O ATOM 348 ND2 ASN A 25 64.055 2.276 8.412 1.00 0.00 N ATOM 0 H ASN A 25 61.541 3.461 11.912 1.00 0.00 H new ATOM 0 HA ASN A 25 63.523 1.681 12.934 1.00 0.00 H new ATOM 0 HB2 ASN A 25 64.811 1.358 10.779 1.00 0.00 H new ATOM 0 HB3 ASN A 25 63.208 0.668 10.618 1.00 0.00 H new ATOM 0 HD21 ASN A 25 63.888 2.887 7.613 1.00 0.00 H new ATOM 0 HD22 ASN A 25 64.677 1.473 8.319 1.00 0.00 H new ATOM 355 N ASN A 26 63.586 4.699 12.746 1.00 0.00 N ATOM 356 CA ASN A 26 64.381 5.955 12.960 1.00 0.00 C ATOM 357 C ASN A 26 64.994 6.016 14.367 1.00 0.00 C ATOM 358 O ASN A 26 65.763 6.928 14.683 1.00 0.00 O ATOM 359 CB ASN A 26 63.524 7.198 12.715 1.00 0.00 C ATOM 360 CG ASN A 26 63.319 7.378 11.213 1.00 0.00 C ATOM 361 OD1 ASN A 26 62.707 6.535 10.562 1.00 0.00 O ATOM 362 ND2 ASN A 26 63.789 8.446 10.624 1.00 0.00 N ATOM 0 H ASN A 26 62.604 4.764 13.014 1.00 0.00 H new ATOM 0 HA ASN A 26 65.196 5.936 12.236 1.00 0.00 H new ATOM 0 HB2 ASN A 26 62.561 7.095 13.216 1.00 0.00 H new ATOM 0 HB3 ASN A 26 64.010 8.078 13.136 1.00 0.00 H new ATOM 0 HD21 ASN A 26 63.648 8.580 9.623 1.00 0.00 H new ATOM 0 HD22 ASN A 26 64.297 9.145 11.166 1.00 0.00 H new ATOM 369 N ALA A 27 64.663 5.015 15.187 1.00 0.00 N ATOM 370 CA ALA A 27 65.171 4.914 16.545 1.00 0.00 C ATOM 371 C ALA A 27 66.576 4.316 16.488 1.00 0.00 C ATOM 372 O ALA A 27 66.848 3.256 17.058 1.00 0.00 O ATOM 373 CB ALA A 27 64.213 4.043 17.376 1.00 0.00 C ATOM 0 H ALA A 27 64.035 4.256 14.922 1.00 0.00 H new ATOM 0 HA ALA A 27 65.229 5.893 17.021 1.00 0.00 H new ATOM 0 HB1 ALA A 27 64.587 3.962 18.397 1.00 0.00 H new ATOM 0 HB2 ALA A 27 63.223 4.500 17.387 1.00 0.00 H new ATOM 0 HB3 ALA A 27 64.149 3.049 16.934 1.00 0.00 H new ATOM 379 N GLU A 28 67.465 5.027 15.781 1.00 0.00 N ATOM 380 CA GLU A 28 68.851 4.622 15.620 1.00 0.00 C ATOM 381 C GLU A 28 69.724 5.846 15.375 1.00 0.00 C ATOM 382 O GLU A 28 70.897 5.835 15.748 1.00 0.00 O ATOM 383 CB GLU A 28 68.985 3.639 14.433 1.00 0.00 C ATOM 384 CG GLU A 28 70.456 3.271 14.150 1.00 0.00 C ATOM 385 CD GLU A 28 70.519 2.042 13.247 1.00 0.00 C ATOM 386 OE1 GLU A 28 70.184 0.964 13.708 1.00 0.00 O ATOM 387 OE2 GLU A 28 70.916 2.201 12.107 1.00 0.00 O ATOM 0 H GLU A 28 67.234 5.900 15.307 1.00 0.00 H new ATOM 0 HA GLU A 28 69.179 4.123 16.532 1.00 0.00 H new ATOM 0 HB2 GLU A 28 68.419 2.732 14.648 1.00 0.00 H new ATOM 0 HB3 GLU A 28 68.545 4.085 13.541 1.00 0.00 H new ATOM 0 HG2 GLU A 28 70.965 4.109 13.674 1.00 0.00 H new ATOM 0 HG3 GLU A 28 70.977 3.072 15.087 1.00 0.00 H new ATOM 394 N ASP A 29 69.150 6.867 14.712 1.00 0.00 N ATOM 395 CA ASP A 29 69.886 8.096 14.373 1.00 0.00 C ATOM 396 C ASP A 29 69.068 9.359 14.638 1.00 0.00 C ATOM 397 O ASP A 29 69.092 9.870 15.760 1.00 0.00 O ATOM 398 CB ASP A 29 70.337 8.052 12.897 1.00 0.00 C ATOM 399 CG ASP A 29 71.411 6.985 12.698 1.00 0.00 C ATOM 400 OD1 ASP A 29 72.449 7.085 13.327 1.00 0.00 O ATOM 401 OD2 ASP A 29 71.162 6.066 11.930 1.00 0.00 O ATOM 0 H ASP A 29 68.179 6.864 14.401 1.00 0.00 H new ATOM 0 HA ASP A 29 70.760 8.139 15.023 1.00 0.00 H new ATOM 0 HB2 ASP A 29 69.482 7.840 12.255 1.00 0.00 H new ATOM 0 HB3 ASP A 29 70.724 9.026 12.600 1.00 0.00 H new ATOM 406 N TYR A 30 68.374 9.865 13.606 1.00 0.00 N ATOM 407 CA TYR A 30 67.580 11.084 13.714 1.00 0.00 C ATOM 408 C TYR A 30 66.176 10.762 14.178 1.00 0.00 C ATOM 409 O TYR A 30 65.791 9.597 14.184 1.00 0.00 O ATOM 410 CB TYR A 30 67.521 11.774 12.354 1.00 0.00 C ATOM 411 CG TYR A 30 68.935 12.229 11.955 1.00 0.00 C ATOM 412 CD1 TYR A 30 69.420 13.457 12.405 1.00 0.00 C ATOM 413 CD2 TYR A 30 69.732 11.415 11.137 1.00 0.00 C ATOM 414 CE1 TYR A 30 70.698 13.885 12.039 1.00 0.00 C ATOM 415 CE2 TYR A 30 71.016 11.842 10.773 1.00 0.00 C ATOM 416 CZ TYR A 30 71.503 13.075 11.223 1.00 0.00 C ATOM 417 OH TYR A 30 72.766 13.495 10.861 1.00 0.00 O ATOM 0 H TYR A 30 68.352 9.438 12.680 1.00 0.00 H new ATOM 0 HA TYR A 30 68.048 11.745 14.444 1.00 0.00 H new ATOM 0 HB2 TYR A 30 67.121 11.092 11.604 1.00 0.00 H new ATOM 0 HB3 TYR A 30 66.849 12.631 12.397 1.00 0.00 H new ATOM 0 HD1 TYR A 30 68.805 14.079 13.039 1.00 0.00 H new ATOM 0 HD2 TYR A 30 69.358 10.463 10.789 1.00 0.00 H new ATOM 0 HE1 TYR A 30 71.067 14.840 12.384 1.00 0.00 H new ATOM 0 HE2 TYR A 30 71.632 11.218 10.143 1.00 0.00 H new ATOM 0 HH TYR A 30 73.188 12.814 10.296 1.00 0.00 H new ATOM 427 N LYS A 31 65.444 11.812 14.579 1.00 0.00 N ATOM 428 CA LYS A 31 64.063 11.687 15.068 1.00 0.00 C ATOM 429 C LYS A 31 63.199 12.758 14.402 1.00 0.00 C ATOM 430 O LYS A 31 62.344 13.377 15.036 1.00 0.00 O ATOM 431 CB LYS A 31 64.015 11.850 16.611 1.00 0.00 C ATOM 432 CG LYS A 31 64.821 10.725 17.322 1.00 0.00 C ATOM 433 CD LYS A 31 64.725 10.866 18.863 1.00 0.00 C ATOM 434 CE LYS A 31 65.539 9.762 19.568 1.00 0.00 C ATOM 435 NZ LYS A 31 65.404 9.930 21.040 1.00 0.00 N ATOM 0 H LYS A 31 65.792 12.771 14.573 1.00 0.00 H new ATOM 0 HA LYS A 31 63.682 10.697 14.817 1.00 0.00 H new ATOM 0 HB2 LYS A 31 64.421 12.823 16.889 1.00 0.00 H new ATOM 0 HB3 LYS A 31 62.979 11.828 16.949 1.00 0.00 H new ATOM 0 HG2 LYS A 31 64.439 9.750 17.017 1.00 0.00 H new ATOM 0 HG3 LYS A 31 65.865 10.769 17.013 1.00 0.00 H new ATOM 0 HD2 LYS A 31 65.094 11.846 19.166 1.00 0.00 H new ATOM 0 HD3 LYS A 31 63.682 10.809 19.173 1.00 0.00 H new ATOM 0 HE2 LYS A 31 65.180 8.778 19.266 1.00 0.00 H new ATOM 0 HE3 LYS A 31 66.588 9.822 19.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 65.950 9.190 21.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 65.766 10.865 21.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 64.402 9.853 21.308 1.00 0.00 H new ATOM 449 N HIS A 32 63.440 12.969 13.107 1.00 0.00 N ATOM 450 CA HIS A 32 62.686 13.964 12.339 1.00 0.00 C ATOM 451 C HIS A 32 61.331 13.427 11.892 1.00 0.00 C ATOM 452 O HIS A 32 60.352 14.174 11.842 1.00 0.00 O ATOM 453 CB HIS A 32 63.473 14.379 11.100 1.00 0.00 C ATOM 454 CG HIS A 32 64.335 15.568 11.425 1.00 0.00 C ATOM 455 ND1 HIS A 32 65.538 15.445 12.098 1.00 0.00 N ATOM 456 CD2 HIS A 32 64.173 16.910 11.184 1.00 0.00 C ATOM 457 CE1 HIS A 32 66.053 16.679 12.237 1.00 0.00 C ATOM 458 NE2 HIS A 32 65.262 17.610 11.701 1.00 0.00 N ATOM 0 H HIS A 32 64.147 12.468 12.569 1.00 0.00 H new ATOM 0 HA HIS A 32 62.526 14.820 12.995 1.00 0.00 H new ATOM 0 HB2 HIS A 32 64.093 13.551 10.756 1.00 0.00 H new ATOM 0 HB3 HIS A 32 62.789 14.624 10.287 1.00 0.00 H new ATOM 0 HD2 HIS A 32 63.332 17.355 10.673 1.00 0.00 H new ATOM 0 HE1 HIS A 32 66.993 16.891 12.724 1.00 0.00 H new ATOM 0 HE2 HIS A 32 65.420 18.617 11.675 1.00 0.00 H new ATOM 466 N THR A 33 61.295 12.142 11.551 1.00 0.00 N ATOM 467 CA THR A 33 60.067 11.506 11.073 1.00 0.00 C ATOM 468 C THR A 33 59.147 11.156 12.233 1.00 0.00 C ATOM 469 O THR A 33 57.993 10.780 12.030 1.00 0.00 O ATOM 470 CB THR A 33 60.411 10.224 10.312 1.00 0.00 C ATOM 471 OG1 THR A 33 61.318 9.470 11.089 1.00 0.00 O ATOM 472 CG2 THR A 33 61.049 10.548 8.952 1.00 0.00 C ATOM 0 H THR A 33 62.101 11.519 11.596 1.00 0.00 H new ATOM 0 HA THR A 33 59.557 12.210 10.415 1.00 0.00 H new ATOM 0 HB THR A 33 59.496 9.658 10.133 1.00 0.00 H new ATOM 0 HG1 THR A 33 60.820 8.867 11.680 1.00 0.00 H new ATOM 0 HG21 THR A 33 61.284 9.620 8.430 1.00 0.00 H new ATOM 0 HG22 THR A 33 60.352 11.134 8.353 1.00 0.00 H new ATOM 0 HG23 THR A 33 61.964 11.120 9.106 1.00 0.00 H new ATOM 480 N ASP A 34 59.660 11.264 13.446 1.00 0.00 N ATOM 481 CA ASP A 34 58.858 10.942 14.621 1.00 0.00 C ATOM 482 C ASP A 34 57.687 11.909 14.743 1.00 0.00 C ATOM 483 O ASP A 34 56.608 11.539 15.205 1.00 0.00 O ATOM 484 CB ASP A 34 59.713 10.997 15.898 1.00 0.00 C ATOM 485 CG ASP A 34 60.451 9.675 16.118 1.00 0.00 C ATOM 486 OD1 ASP A 34 59.793 8.660 16.247 1.00 0.00 O ATOM 487 OD2 ASP A 34 61.668 9.694 16.123 1.00 0.00 O ATOM 0 H ASP A 34 60.613 11.567 13.646 1.00 0.00 H new ATOM 0 HA ASP A 34 58.475 9.929 14.502 1.00 0.00 H new ATOM 0 HB2 ASP A 34 60.433 11.812 15.824 1.00 0.00 H new ATOM 0 HB3 ASP A 34 59.077 11.211 16.757 1.00 0.00 H new ATOM 492 N MET A 35 57.908 13.152 14.334 1.00 0.00 N ATOM 493 CA MET A 35 56.857 14.163 14.411 1.00 0.00 C ATOM 494 C MET A 35 55.698 13.801 13.490 1.00 0.00 C ATOM 495 O MET A 35 54.535 13.963 13.865 1.00 0.00 O ATOM 496 CB MET A 35 57.409 15.545 14.016 1.00 0.00 C ATOM 497 CG MET A 35 58.266 16.135 15.148 1.00 0.00 C ATOM 498 SD MET A 35 57.205 16.930 16.393 1.00 0.00 S ATOM 499 CE MET A 35 57.300 18.645 15.803 1.00 0.00 C ATOM 0 H MET A 35 58.793 13.483 13.950 1.00 0.00 H new ATOM 0 HA MET A 35 56.499 14.199 15.440 1.00 0.00 H new ATOM 0 HB2 MET A 35 58.007 15.457 13.109 1.00 0.00 H new ATOM 0 HB3 MET A 35 56.584 16.220 13.789 1.00 0.00 H new ATOM 0 HG2 MET A 35 58.858 15.347 15.614 1.00 0.00 H new ATOM 0 HG3 MET A 35 58.968 16.862 14.741 1.00 0.00 H new ATOM 0 HE1 MET A 35 56.703 19.286 16.451 1.00 0.00 H new ATOM 0 HE2 MET A 35 58.338 18.978 15.819 1.00 0.00 H new ATOM 0 HE3 MET A 35 56.916 18.701 14.784 1.00 0.00 H new ATOM 509 N ASP A 36 56.028 13.321 12.286 1.00 0.00 N ATOM 510 CA ASP A 36 55.013 12.939 11.294 1.00 0.00 C ATOM 511 C ASP A 36 55.589 11.951 10.283 1.00 0.00 C ATOM 512 O ASP A 36 56.784 11.967 9.998 1.00 0.00 O ATOM 513 CB ASP A 36 54.505 14.182 10.549 1.00 0.00 C ATOM 514 CG ASP A 36 55.620 14.775 9.685 1.00 0.00 C ATOM 515 OD1 ASP A 36 56.773 14.639 10.065 1.00 0.00 O ATOM 516 OD2 ASP A 36 55.307 15.350 8.656 1.00 0.00 O ATOM 0 H ASP A 36 56.990 13.187 11.974 1.00 0.00 H new ATOM 0 HA ASP A 36 54.186 12.466 11.824 1.00 0.00 H new ATOM 0 HB2 ASP A 36 53.653 13.917 9.923 1.00 0.00 H new ATOM 0 HB3 ASP A 36 54.155 14.926 11.265 1.00 0.00 H new ATOM 521 N LEU A 37 54.718 11.104 9.735 1.00 0.00 N ATOM 522 CA LEU A 37 55.131 10.112 8.744 1.00 0.00 C ATOM 523 C LEU A 37 55.426 10.817 7.431 1.00 0.00 C ATOM 524 O LEU A 37 54.773 11.812 7.111 1.00 0.00 O ATOM 525 CB LEU A 37 54.015 9.075 8.496 1.00 0.00 C ATOM 526 CG LEU A 37 53.540 8.373 9.815 1.00 0.00 C ATOM 527 CD1 LEU A 37 52.395 7.384 9.522 1.00 0.00 C ATOM 528 CD2 LEU A 37 54.673 7.596 10.520 1.00 0.00 C ATOM 0 H LEU A 37 53.723 11.085 9.960 1.00 0.00 H new ATOM 0 HA LEU A 37 56.015 9.599 9.122 1.00 0.00 H new ATOM 0 HB2 LEU A 37 53.165 9.568 8.025 1.00 0.00 H new ATOM 0 HB3 LEU A 37 54.374 8.320 7.796 1.00 0.00 H new ATOM 0 HG LEU A 37 53.203 9.173 10.474 1.00 0.00 H new ATOM 0 HD11 LEU A 37 52.080 6.907 10.450 1.00 0.00 H new ATOM 0 HD12 LEU A 37 51.553 7.921 9.086 1.00 0.00 H new ATOM 0 HD13 LEU A 37 52.742 6.623 8.823 1.00 0.00 H new ATOM 0 HD21 LEU A 37 54.286 7.131 11.427 1.00 0.00 H new ATOM 0 HD22 LEU A 37 55.056 6.825 9.852 1.00 0.00 H new ATOM 0 HD23 LEU A 37 55.478 8.283 10.780 1.00 0.00 H new ATOM 540 N THR A 38 56.415 10.286 6.697 1.00 0.00 N ATOM 541 CA THR A 38 56.838 10.847 5.402 1.00 0.00 C ATOM 542 C THR A 38 57.080 9.727 4.395 1.00 0.00 C ATOM 543 O THR A 38 57.100 8.550 4.758 1.00 0.00 O ATOM 544 CB THR A 38 58.125 11.674 5.581 1.00 0.00 C ATOM 545 OG1 THR A 38 59.208 10.794 5.849 1.00 0.00 O ATOM 546 CG2 THR A 38 57.983 12.671 6.748 1.00 0.00 C ATOM 0 H THR A 38 56.942 9.460 6.981 1.00 0.00 H new ATOM 0 HA THR A 38 56.046 11.495 5.027 1.00 0.00 H new ATOM 0 HB THR A 38 58.308 12.236 4.665 1.00 0.00 H new ATOM 0 HG1 THR A 38 60.031 11.313 5.962 1.00 0.00 H new ATOM 0 HG21 THR A 38 58.905 13.242 6.853 1.00 0.00 H new ATOM 0 HG22 THR A 38 57.156 13.352 6.547 1.00 0.00 H new ATOM 0 HG23 THR A 38 57.787 12.125 7.671 1.00 0.00 H new ATOM 554 N TYR A 39 57.250 10.106 3.127 1.00 0.00 N ATOM 555 CA TYR A 39 57.476 9.126 2.067 1.00 0.00 C ATOM 556 C TYR A 39 58.869 8.525 2.194 1.00 0.00 C ATOM 557 O TYR A 39 59.846 9.254 2.370 1.00 0.00 O ATOM 558 CB TYR A 39 57.343 9.792 0.696 1.00 0.00 C ATOM 559 CG TYR A 39 55.894 10.255 0.486 1.00 0.00 C ATOM 560 CD1 TYR A 39 55.499 11.537 0.889 1.00 0.00 C ATOM 561 CD2 TYR A 39 54.961 9.394 -0.110 1.00 0.00 C ATOM 562 CE1 TYR A 39 54.180 11.958 0.695 1.00 0.00 C ATOM 563 CE2 TYR A 39 53.646 9.817 -0.304 1.00 0.00 C ATOM 564 CZ TYR A 39 53.251 11.098 0.098 1.00 0.00 C ATOM 565 OH TYR A 39 51.951 11.515 -0.094 1.00 0.00 O ATOM 0 H TYR A 39 57.236 11.076 2.812 1.00 0.00 H new ATOM 0 HA TYR A 39 56.730 8.338 2.164 1.00 0.00 H new ATOM 0 HB2 TYR A 39 58.021 10.643 0.627 1.00 0.00 H new ATOM 0 HB3 TYR A 39 57.629 9.092 -0.089 1.00 0.00 H new ATOM 0 HD1 TYR A 39 56.215 12.201 1.350 1.00 0.00 H new ATOM 0 HD2 TYR A 39 55.261 8.403 -0.419 1.00 0.00 H new ATOM 0 HE1 TYR A 39 53.878 12.947 1.006 1.00 0.00 H new ATOM 0 HE2 TYR A 39 52.930 9.153 -0.766 1.00 0.00 H new ATOM 0 HH TYR A 39 51.437 10.798 -0.521 1.00 0.00 H new ATOM 575 N THR A 40 58.947 7.197 2.100 1.00 0.00 N ATOM 576 CA THR A 40 60.225 6.497 2.207 1.00 0.00 C ATOM 577 C THR A 40 61.024 6.645 0.907 1.00 0.00 C ATOM 578 O THR A 40 60.489 6.419 -0.181 1.00 0.00 O ATOM 579 CB THR A 40 59.970 5.004 2.500 1.00 0.00 C ATOM 580 OG1 THR A 40 59.363 4.882 3.780 1.00 0.00 O ATOM 581 CG2 THR A 40 61.279 4.182 2.493 1.00 0.00 C ATOM 0 H THR A 40 58.143 6.588 1.951 1.00 0.00 H new ATOM 0 HA THR A 40 60.803 6.934 3.021 1.00 0.00 H new ATOM 0 HB THR A 40 59.320 4.615 1.716 1.00 0.00 H new ATOM 0 HG1 THR A 40 59.196 3.936 3.974 1.00 0.00 H new ATOM 0 HG21 THR A 40 61.053 3.137 2.704 1.00 0.00 H new ATOM 0 HG22 THR A 40 61.753 4.261 1.515 1.00 0.00 H new ATOM 0 HG23 THR A 40 61.955 4.568 3.256 1.00 0.00 H new ATOM 589 N ASP A 41 62.308 7.007 1.046 1.00 0.00 N ATOM 590 CA ASP A 41 63.202 7.176 -0.105 1.00 0.00 C ATOM 591 C ASP A 41 63.800 5.830 -0.523 1.00 0.00 C ATOM 592 O ASP A 41 64.800 5.376 0.037 1.00 0.00 O ATOM 593 CB ASP A 41 64.331 8.151 0.251 1.00 0.00 C ATOM 594 CG ASP A 41 65.235 8.364 -0.960 1.00 0.00 C ATOM 595 OD1 ASP A 41 64.758 8.905 -1.936 1.00 0.00 O ATOM 596 OD2 ASP A 41 66.397 7.983 -0.884 1.00 0.00 O ATOM 0 H ASP A 41 62.750 7.188 1.947 1.00 0.00 H new ATOM 0 HA ASP A 41 62.623 7.577 -0.937 1.00 0.00 H new ATOM 0 HB2 ASP A 41 63.912 9.104 0.575 1.00 0.00 H new ATOM 0 HB3 ASP A 41 64.913 7.759 1.085 1.00 0.00 H new ATOM 601 N ARG A 42 63.179 5.198 -1.514 1.00 0.00 N ATOM 602 CA ARG A 42 63.656 3.907 -2.006 1.00 0.00 C ATOM 603 C ARG A 42 64.938 4.099 -2.806 1.00 0.00 C ATOM 604 O ARG A 42 65.097 5.101 -3.506 1.00 0.00 O ATOM 605 CB ARG A 42 62.593 3.252 -2.901 1.00 0.00 C ATOM 606 CG ARG A 42 61.341 2.851 -2.070 1.00 0.00 C ATOM 607 CD ARG A 42 60.227 2.301 -2.978 1.00 0.00 C ATOM 608 NE ARG A 42 60.684 1.090 -3.653 1.00 0.00 N ATOM 609 CZ ARG A 42 59.926 0.457 -4.536 1.00 0.00 C ATOM 610 NH1 ARG A 42 58.743 0.920 -4.832 1.00 0.00 N ATOM 611 NH2 ARG A 42 60.363 -0.628 -5.110 1.00 0.00 N ATOM 0 H ARG A 42 62.350 5.554 -1.990 1.00 0.00 H new ATOM 0 HA ARG A 42 63.852 3.260 -1.151 1.00 0.00 H new ATOM 0 HB2 ARG A 42 62.303 3.942 -3.693 1.00 0.00 H new ATOM 0 HB3 ARG A 42 63.012 2.369 -3.384 1.00 0.00 H new ATOM 0 HG2 ARG A 42 61.617 2.099 -1.331 1.00 0.00 H new ATOM 0 HG3 ARG A 42 60.972 3.717 -1.521 1.00 0.00 H new ATOM 0 HD2 ARG A 42 59.338 2.083 -2.386 1.00 0.00 H new ATOM 0 HD3 ARG A 42 59.943 3.052 -3.715 1.00 0.00 H new ATOM 0 HE ARG A 42 61.611 0.722 -3.439 1.00 0.00 H new ATOM 0 HH11 ARG A 42 58.401 1.770 -4.384 1.00 0.00 H new ATOM 0 HH12 ARG A 42 58.160 0.432 -5.512 1.00 0.00 H new ATOM 0 HH21 ARG A 42 61.288 -0.990 -4.879 1.00 0.00 H new ATOM 0 HH22 ARG A 42 59.780 -1.116 -5.790 1.00 0.00 H new ATOM 625 N ASP A 43 65.850 3.136 -2.692 1.00 0.00 N ATOM 626 CA ASP A 43 67.121 3.209 -3.402 1.00 0.00 C ATOM 627 C ASP A 43 66.911 2.952 -4.890 1.00 0.00 C ATOM 628 O ASP A 43 66.643 1.823 -5.305 1.00 0.00 O ATOM 629 CB ASP A 43 68.093 2.172 -2.831 1.00 0.00 C ATOM 630 CG ASP A 43 68.327 2.430 -1.345 1.00 0.00 C ATOM 631 OD1 ASP A 43 68.736 3.534 -1.011 1.00 0.00 O ATOM 632 OD2 ASP A 43 68.096 1.524 -0.568 1.00 0.00 O ATOM 0 H ASP A 43 65.732 2.301 -2.118 1.00 0.00 H new ATOM 0 HA ASP A 43 67.539 4.207 -3.273 1.00 0.00 H new ATOM 0 HB2 ASP A 43 67.691 1.169 -2.974 1.00 0.00 H new ATOM 0 HB3 ASP A 43 69.040 2.216 -3.369 1.00 0.00 H new ATOM 637 N TYR A 44 67.027 4.011 -5.686 1.00 0.00 N ATOM 638 CA TYR A 44 66.840 3.899 -7.127 1.00 0.00 C ATOM 639 C TYR A 44 67.851 2.946 -7.731 1.00 0.00 C ATOM 640 O TYR A 44 67.474 2.084 -8.525 1.00 0.00 O ATOM 641 CB TYR A 44 66.980 5.272 -7.786 1.00 0.00 C ATOM 642 CG TYR A 44 65.870 6.194 -7.267 1.00 0.00 C ATOM 643 CD1 TYR A 44 66.076 6.949 -6.107 1.00 0.00 C ATOM 644 CD2 TYR A 44 64.652 6.279 -7.950 1.00 0.00 C ATOM 645 CE1 TYR A 44 65.065 7.791 -5.632 1.00 0.00 C ATOM 646 CE2 TYR A 44 63.637 7.123 -7.473 1.00 0.00 C ATOM 647 CZ TYR A 44 63.842 7.879 -6.318 1.00 0.00 C ATOM 648 OH TYR A 44 62.846 8.707 -5.847 1.00 0.00 O ATOM 0 H TYR A 44 67.248 4.951 -5.359 1.00 0.00 H new ATOM 0 HA TYR A 44 65.838 3.509 -7.307 1.00 0.00 H new ATOM 0 HB2 TYR A 44 67.958 5.698 -7.562 1.00 0.00 H new ATOM 0 HB3 TYR A 44 66.914 5.177 -8.870 1.00 0.00 H new ATOM 0 HD1 TYR A 44 67.015 6.882 -5.579 1.00 0.00 H new ATOM 0 HD2 TYR A 44 64.493 5.695 -8.844 1.00 0.00 H new ATOM 0 HE1 TYR A 44 65.225 8.374 -4.737 1.00 0.00 H new ATOM 0 HE2 TYR A 44 62.697 7.187 -8.000 1.00 0.00 H new ATOM 0 HH TYR A 44 62.067 8.651 -6.439 1.00 0.00 H new ATOM 658 N LYS A 45 69.126 3.125 -7.348 1.00 0.00 N ATOM 659 CA LYS A 45 70.233 2.289 -7.842 1.00 0.00 C ATOM 660 C LYS A 45 71.069 1.789 -6.674 1.00 0.00 C ATOM 661 O LYS A 45 71.305 2.525 -5.713 1.00 0.00 O ATOM 662 CB LYS A 45 71.124 3.103 -8.802 1.00 0.00 C ATOM 663 CG LYS A 45 70.349 3.490 -10.097 1.00 0.00 C ATOM 664 CD LYS A 45 71.251 4.316 -11.051 1.00 0.00 C ATOM 665 CE LYS A 45 70.482 4.708 -12.330 1.00 0.00 C ATOM 666 NZ LYS A 45 71.385 5.493 -13.215 1.00 0.00 N ATOM 0 H LYS A 45 69.417 3.849 -6.691 1.00 0.00 H new ATOM 0 HA LYS A 45 69.815 1.436 -8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 45 71.474 4.006 -8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 45 72.008 2.521 -9.064 1.00 0.00 H new ATOM 0 HG2 LYS A 45 70.005 2.588 -10.604 1.00 0.00 H new ATOM 0 HG3 LYS A 45 69.462 4.067 -9.837 1.00 0.00 H new ATOM 0 HD2 LYS A 45 71.600 5.214 -10.542 1.00 0.00 H new ATOM 0 HD3 LYS A 45 72.135 3.736 -11.316 1.00 0.00 H new ATOM 0 HE2 LYS A 45 70.131 3.815 -12.847 1.00 0.00 H new ATOM 0 HE3 LYS A 45 69.600 5.296 -12.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 70.875 5.762 -14.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 71.699 6.351 -12.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 72.213 4.916 -13.466 1.00 0.00 H new ATOM 680 N ASN A 46 71.504 0.530 -6.774 1.00 0.00 N ATOM 681 CA ASN A 46 72.314 -0.097 -5.728 1.00 0.00 C ATOM 682 C ASN A 46 73.771 0.328 -5.859 1.00 0.00 C ATOM 683 O ASN A 46 74.528 -0.237 -6.651 1.00 0.00 O ATOM 684 CB ASN A 46 72.208 -1.623 -5.835 1.00 0.00 C ATOM 685 CG ASN A 46 73.090 -2.287 -4.782 1.00 0.00 C ATOM 686 OD1 ASN A 46 72.875 -2.113 -3.583 1.00 0.00 O ATOM 687 ND2 ASN A 46 74.088 -3.040 -5.167 1.00 0.00 N ATOM 0 H ASN A 46 71.308 -0.076 -7.571 1.00 0.00 H new ATOM 0 HA ASN A 46 71.941 0.225 -4.756 1.00 0.00 H new ATOM 0 HB2 ASN A 46 71.172 -1.933 -5.700 1.00 0.00 H new ATOM 0 HB3 ASN A 46 72.511 -1.947 -6.831 1.00 0.00 H new ATOM 0 HD21 ASN A 46 74.689 -3.484 -4.473 1.00 0.00 H new ATOM 0 HD22 ASN A 46 74.265 -3.183 -6.161 1.00 0.00 H new ATOM 694 N CYS A 47 74.159 1.333 -5.076 1.00 0.00 N ATOM 695 CA CYS A 47 75.526 1.834 -5.109 1.00 0.00 C ATOM 696 C CYS A 47 76.485 0.825 -4.507 1.00 0.00 C ATOM 697 O CYS A 47 77.477 0.471 -5.144 1.00 0.00 O ATOM 698 CB CYS A 47 75.625 3.153 -4.341 1.00 0.00 C ATOM 699 SG CYS A 47 74.561 4.385 -5.128 1.00 0.00 S ATOM 0 H CYS A 47 73.548 1.812 -4.415 1.00 0.00 H new ATOM 0 HA CYS A 47 75.799 2.000 -6.151 1.00 0.00 H new ATOM 0 HB2 CYS A 47 75.325 3.006 -3.303 1.00 0.00 H new ATOM 0 HB3 CYS A 47 76.657 3.503 -4.328 1.00 0.00 H new ATOM 0 HG CYS A 47 74.641 5.507 -4.476 1.00 0.00 H new ATOM 705 N GLU A 48 76.177 0.386 -3.273 1.00 0.00 N ATOM 706 CA GLU A 48 77.004 -0.586 -2.536 1.00 0.00 C ATOM 707 C GLU A 48 76.130 -1.693 -1.961 1.00 0.00 C ATOM 708 O GLU A 48 74.905 -1.572 -1.918 1.00 0.00 O ATOM 709 CB GLU A 48 77.756 0.118 -1.388 1.00 0.00 C ATOM 710 CG GLU A 48 78.821 1.109 -1.921 1.00 0.00 C ATOM 711 CD GLU A 48 79.502 1.841 -0.761 1.00 0.00 C ATOM 712 OE1 GLU A 48 79.231 1.496 0.378 1.00 0.00 O ATOM 713 OE2 GLU A 48 80.286 2.732 -1.037 1.00 0.00 O ATOM 0 H GLU A 48 75.351 0.694 -2.760 1.00 0.00 H new ATOM 0 HA GLU A 48 77.725 -1.020 -3.229 1.00 0.00 H new ATOM 0 HB2 GLU A 48 77.043 0.653 -0.761 1.00 0.00 H new ATOM 0 HB3 GLU A 48 78.238 -0.629 -0.757 1.00 0.00 H new ATOM 0 HG2 GLU A 48 79.566 0.571 -2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 48 78.352 1.831 -2.589 1.00 0.00 H new ATOM 720 N SER A 49 76.782 -2.778 -1.537 1.00 0.00 N ATOM 721 CA SER A 49 76.082 -3.927 -0.968 1.00 0.00 C ATOM 722 C SER A 49 77.045 -4.793 -0.165 1.00 0.00 C ATOM 723 O SER A 49 77.602 -5.766 -0.676 1.00 0.00 O ATOM 724 CB SER A 49 75.441 -4.757 -2.087 1.00 0.00 C ATOM 725 OG SER A 49 74.837 -5.914 -1.523 1.00 0.00 O ATOM 0 H SER A 49 77.796 -2.883 -1.578 1.00 0.00 H new ATOM 0 HA SER A 49 75.301 -3.563 -0.301 1.00 0.00 H new ATOM 0 HB2 SER A 49 74.695 -4.163 -2.615 1.00 0.00 H new ATOM 0 HB3 SER A 49 76.195 -5.046 -2.819 1.00 0.00 H new ATOM 0 HG SER A 49 74.424 -6.447 -2.234 1.00 0.00 H new ATOM 731 N TYR A 50 77.242 -4.428 1.099 1.00 0.00 N ATOM 732 CA TYR A 50 78.140 -5.178 1.966 1.00 0.00 C ATOM 733 C TYR A 50 77.622 -6.596 2.165 1.00 0.00 C ATOM 734 O TYR A 50 78.361 -7.567 2.029 1.00 0.00 O ATOM 735 CB TYR A 50 78.267 -4.454 3.322 1.00 0.00 C ATOM 736 CG TYR A 50 79.124 -5.267 4.302 1.00 0.00 C ATOM 737 CD1 TYR A 50 80.506 -5.365 4.083 1.00 0.00 C ATOM 738 CD2 TYR A 50 78.543 -5.913 5.401 1.00 0.00 C ATOM 739 CE1 TYR A 50 81.301 -6.111 4.963 1.00 0.00 C ATOM 740 CE2 TYR A 50 79.340 -6.655 6.277 1.00 0.00 C ATOM 741 CZ TYR A 50 80.719 -6.758 6.061 1.00 0.00 C ATOM 742 OH TYR A 50 81.503 -7.491 6.925 1.00 0.00 O ATOM 0 H TYR A 50 76.795 -3.624 1.541 1.00 0.00 H new ATOM 0 HA TYR A 50 79.123 -5.238 1.500 1.00 0.00 H new ATOM 0 HB2 TYR A 50 78.713 -3.471 3.173 1.00 0.00 H new ATOM 0 HB3 TYR A 50 77.276 -4.293 3.747 1.00 0.00 H new ATOM 0 HD1 TYR A 50 80.956 -4.866 3.238 1.00 0.00 H new ATOM 0 HD2 TYR A 50 77.479 -5.838 5.571 1.00 0.00 H new ATOM 0 HE1 TYR A 50 82.365 -6.187 4.795 1.00 0.00 H new ATOM 0 HE2 TYR A 50 78.890 -7.151 7.124 1.00 0.00 H new ATOM 0 HH TYR A 50 80.942 -7.873 7.632 1.00 0.00 H new ATOM 752 N HIS A 51 76.337 -6.688 2.484 1.00 0.00 N ATOM 753 CA HIS A 51 75.674 -7.981 2.709 1.00 0.00 C ATOM 754 C HIS A 51 74.199 -7.792 3.017 1.00 0.00 C ATOM 755 O HIS A 51 73.423 -8.738 2.856 1.00 0.00 O ATOM 756 CB HIS A 51 76.303 -8.771 3.881 1.00 0.00 C ATOM 757 CG HIS A 51 77.114 -9.921 3.352 1.00 0.00 C ATOM 758 ND1 HIS A 51 78.503 -9.913 3.348 1.00 0.00 N ATOM 759 CD2 HIS A 51 76.747 -11.116 2.786 1.00 0.00 C ATOM 760 CE1 HIS A 51 78.913 -11.072 2.799 1.00 0.00 C ATOM 761 NE2 HIS A 51 77.880 -11.841 2.439 1.00 0.00 N ATOM 0 H HIS A 51 75.724 -5.881 2.595 1.00 0.00 H new ATOM 0 HA HIS A 51 75.804 -8.545 1.785 1.00 0.00 H new ATOM 0 HB2 HIS A 51 76.936 -8.112 4.475 1.00 0.00 H new ATOM 0 HB3 HIS A 51 75.520 -9.142 4.542 1.00 0.00 H new ATOM 0 HD2 HIS A 51 75.729 -11.444 2.633 1.00 0.00 H new ATOM 0 HE1 HIS A 51 79.949 -11.347 2.666 1.00 0.00 H new ATOM 0 HE2 HIS A 51 77.916 -12.762 2.003 1.00 0.00 H new ATOM 769 N LYS A 52 73.826 -6.572 3.455 1.00 0.00 N ATOM 770 CA LYS A 52 72.450 -6.228 3.799 1.00 0.00 C ATOM 771 C LYS A 52 71.855 -7.293 4.714 1.00 0.00 C ATOM 772 O LYS A 52 71.002 -8.082 4.306 1.00 0.00 O ATOM 773 CB LYS A 52 71.598 -6.088 2.538 1.00 0.00 C ATOM 774 CG LYS A 52 72.118 -4.948 1.622 1.00 0.00 C ATOM 775 CD LYS A 52 71.245 -4.838 0.346 1.00 0.00 C ATOM 776 CE LYS A 52 71.741 -3.700 -0.554 1.00 0.00 C ATOM 777 NZ LYS A 52 70.885 -3.639 -1.774 1.00 0.00 N ATOM 0 H LYS A 52 74.482 -5.801 3.577 1.00 0.00 H new ATOM 0 HA LYS A 52 72.456 -5.272 4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 52 71.604 -7.029 1.988 1.00 0.00 H new ATOM 0 HB3 LYS A 52 70.564 -5.888 2.817 1.00 0.00 H new ATOM 0 HG2 LYS A 52 72.102 -4.002 2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 52 73.155 -5.140 1.345 1.00 0.00 H new ATOM 0 HD2 LYS A 52 71.273 -5.780 -0.202 1.00 0.00 H new ATOM 0 HD3 LYS A 52 70.206 -4.662 0.624 1.00 0.00 H new ATOM 0 HE2 LYS A 52 71.701 -2.752 -0.018 1.00 0.00 H new ATOM 0 HE3 LYS A 52 72.782 -3.866 -0.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 71.396 -3.143 -2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 70.655 -4.604 -2.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 70.006 -3.127 -1.556 1.00 0.00 H new ATOM 791 N CYS A 53 72.343 -7.324 5.942 1.00 0.00 N ATOM 792 CA CYS A 53 71.891 -8.319 6.917 1.00 0.00 C ATOM 793 C CYS A 53 70.476 -8.042 7.398 1.00 0.00 C ATOM 794 O CYS A 53 69.612 -8.917 7.295 1.00 0.00 O ATOM 795 CB CYS A 53 72.838 -8.339 8.114 1.00 0.00 C ATOM 796 SG CYS A 53 74.463 -8.935 7.587 1.00 0.00 S ATOM 0 H CYS A 53 73.049 -6.677 6.293 1.00 0.00 H new ATOM 0 HA CYS A 53 71.893 -9.289 6.420 1.00 0.00 H new ATOM 0 HB2 CYS A 53 72.926 -7.339 8.539 1.00 0.00 H new ATOM 0 HB3 CYS A 53 72.438 -8.984 8.897 1.00 0.00 H new ATOM 0 HG CYS A 53 74.844 -8.279 6.531 1.00 0.00 H new ATOM 802 N SER A 54 70.270 -6.823 7.922 1.00 0.00 N ATOM 803 CA SER A 54 68.978 -6.383 8.447 1.00 0.00 C ATOM 804 C SER A 54 68.418 -5.263 7.600 1.00 0.00 C ATOM 805 O SER A 54 68.513 -4.089 7.957 1.00 0.00 O ATOM 806 CB SER A 54 69.132 -5.887 9.874 1.00 0.00 C ATOM 807 OG SER A 54 70.158 -4.908 9.925 1.00 0.00 O ATOM 0 H SER A 54 71.002 -6.116 7.991 1.00 0.00 H new ATOM 0 HA SER A 54 68.296 -7.233 8.424 1.00 0.00 H new ATOM 0 HB2 SER A 54 68.192 -5.463 10.227 1.00 0.00 H new ATOM 0 HB3 SER A 54 69.375 -6.719 10.536 1.00 0.00 H new ATOM 0 HG SER A 54 70.044 -4.275 9.185 1.00 0.00 H new ATOM 813 N ASP A 55 67.831 -5.648 6.475 1.00 0.00 N ATOM 814 CA ASP A 55 67.228 -4.696 5.535 1.00 0.00 C ATOM 815 C ASP A 55 66.191 -3.798 6.220 1.00 0.00 C ATOM 816 O ASP A 55 65.837 -2.739 5.706 1.00 0.00 O ATOM 817 CB ASP A 55 66.542 -5.463 4.400 1.00 0.00 C ATOM 818 CG ASP A 55 65.777 -6.668 4.949 1.00 0.00 C ATOM 819 OD1 ASP A 55 65.329 -6.588 6.071 1.00 0.00 O ATOM 820 OD2 ASP A 55 65.629 -7.637 4.215 1.00 0.00 O ATOM 0 H ASP A 55 67.756 -6.623 6.184 1.00 0.00 H new ATOM 0 HA ASP A 55 68.027 -4.064 5.147 1.00 0.00 H new ATOM 0 HB2 ASP A 55 65.857 -4.802 3.869 1.00 0.00 H new ATOM 0 HB3 ASP A 55 67.287 -5.797 3.678 1.00 0.00 H new ATOM 825 N LEU A 56 65.730 -4.226 7.387 1.00 0.00 N ATOM 826 CA LEU A 56 64.763 -3.457 8.146 1.00 0.00 C ATOM 827 C LEU A 56 65.394 -2.133 8.553 1.00 0.00 C ATOM 828 O LEU A 56 64.754 -1.086 8.425 1.00 0.00 O ATOM 829 CB LEU A 56 64.333 -4.213 9.428 1.00 0.00 C ATOM 830 CG LEU A 56 63.880 -5.689 9.139 1.00 0.00 C ATOM 831 CD1 LEU A 56 63.434 -6.383 10.439 1.00 0.00 C ATOM 832 CD2 LEU A 56 62.709 -5.761 8.135 1.00 0.00 C ATOM 0 H LEU A 56 66.012 -5.102 7.826 1.00 0.00 H new ATOM 0 HA LEU A 56 63.885 -3.295 7.521 1.00 0.00 H new ATOM 0 HB2 LEU A 56 65.163 -4.224 10.134 1.00 0.00 H new ATOM 0 HB3 LEU A 56 63.515 -3.673 9.906 1.00 0.00 H new ATOM 0 HG LEU A 56 64.745 -6.193 8.708 1.00 0.00 H new ATOM 0 HD11 LEU A 56 63.124 -7.404 10.218 1.00 0.00 H new ATOM 0 HD12 LEU A 56 64.264 -6.400 11.145 1.00 0.00 H new ATOM 0 HD13 LEU A 56 62.598 -5.836 10.875 1.00 0.00 H new ATOM 0 HD21 LEU A 56 62.435 -6.803 7.970 1.00 0.00 H new ATOM 0 HD22 LEU A 56 61.852 -5.219 8.536 1.00 0.00 H new ATOM 0 HD23 LEU A 56 63.012 -5.312 7.189 1.00 0.00 H new ATOM 844 N CYS A 57 66.660 -2.193 9.016 1.00 0.00 N ATOM 845 CA CYS A 57 67.412 -1.004 9.423 1.00 0.00 C ATOM 846 C CYS A 57 68.241 -0.513 8.237 1.00 0.00 C ATOM 847 O CYS A 57 69.073 -1.242 7.701 1.00 0.00 O ATOM 848 CB CYS A 57 68.284 -1.370 10.621 1.00 0.00 C ATOM 849 SG CYS A 57 69.581 -0.124 10.891 1.00 0.00 S ATOM 0 H CYS A 57 67.180 -3.065 9.115 1.00 0.00 H new ATOM 0 HA CYS A 57 66.746 -0.194 9.721 1.00 0.00 H new ATOM 0 HB2 CYS A 57 67.664 -1.454 11.514 1.00 0.00 H new ATOM 0 HB3 CYS A 57 68.741 -2.346 10.457 1.00 0.00 H new ATOM 854 N GLN A 58 67.954 0.691 7.790 1.00 0.00 N ATOM 855 CA GLN A 58 68.621 1.253 6.615 1.00 0.00 C ATOM 856 C GLN A 58 70.129 1.494 6.785 1.00 0.00 C ATOM 857 O GLN A 58 70.886 1.318 5.828 1.00 0.00 O ATOM 858 CB GLN A 58 67.925 2.567 6.211 1.00 0.00 C ATOM 859 CG GLN A 58 68.186 3.690 7.244 1.00 0.00 C ATOM 860 CD GLN A 58 67.059 4.718 7.185 1.00 0.00 C ATOM 861 OE1 GLN A 58 66.538 5.015 6.111 1.00 0.00 O ATOM 862 NE2 GLN A 58 66.639 5.267 8.290 1.00 0.00 N ATOM 0 H GLN A 58 67.263 1.308 8.218 1.00 0.00 H new ATOM 0 HA GLN A 58 68.532 0.501 5.831 1.00 0.00 H new ATOM 0 HB2 GLN A 58 68.283 2.883 5.231 1.00 0.00 H new ATOM 0 HB3 GLN A 58 66.852 2.398 6.119 1.00 0.00 H new ATOM 0 HG2 GLN A 58 68.253 3.267 8.246 1.00 0.00 H new ATOM 0 HG3 GLN A 58 69.142 4.172 7.037 1.00 0.00 H new ATOM 0 HE21 GLN A 58 67.072 5.019 9.179 1.00 0.00 H new ATOM 0 HE22 GLN A 58 65.877 5.944 8.265 1.00 0.00 H new ATOM 871 N TYR A 59 70.551 1.922 7.972 1.00 0.00 N ATOM 872 CA TYR A 59 71.967 2.223 8.231 1.00 0.00 C ATOM 873 C TYR A 59 72.802 0.969 8.438 1.00 0.00 C ATOM 874 O TYR A 59 74.008 0.983 8.179 1.00 0.00 O ATOM 875 CB TYR A 59 72.091 3.132 9.450 1.00 0.00 C ATOM 876 CG TYR A 59 72.770 4.448 9.041 1.00 0.00 C ATOM 877 CD1 TYR A 59 74.159 4.484 8.902 1.00 0.00 C ATOM 878 CD2 TYR A 59 72.013 5.600 8.808 1.00 0.00 C ATOM 879 CE1 TYR A 59 74.797 5.672 8.521 1.00 0.00 C ATOM 880 CE2 TYR A 59 72.650 6.792 8.429 1.00 0.00 C ATOM 881 CZ TYR A 59 74.043 6.825 8.288 1.00 0.00 C ATOM 882 OH TYR A 59 74.671 7.997 7.916 1.00 0.00 O ATOM 0 H TYR A 59 69.937 2.070 8.773 1.00 0.00 H new ATOM 0 HA TYR A 59 72.355 2.728 7.346 1.00 0.00 H new ATOM 0 HB2 TYR A 59 71.105 3.334 9.868 1.00 0.00 H new ATOM 0 HB3 TYR A 59 72.672 2.637 10.228 1.00 0.00 H new ATOM 0 HD1 TYR A 59 74.743 3.595 9.088 1.00 0.00 H new ATOM 0 HD2 TYR A 59 70.939 5.573 8.920 1.00 0.00 H new ATOM 0 HE1 TYR A 59 75.871 5.696 8.408 1.00 0.00 H new ATOM 0 HE2 TYR A 59 72.067 7.682 8.246 1.00 0.00 H new ATOM 0 HH TYR A 59 74.002 8.702 7.793 1.00 0.00 H new ATOM 892 N CYS A 60 72.171 -0.103 8.905 1.00 0.00 N ATOM 893 CA CYS A 60 72.877 -1.351 9.143 1.00 0.00 C ATOM 894 C CYS A 60 73.524 -1.875 7.863 1.00 0.00 C ATOM 895 O CYS A 60 74.482 -2.634 7.908 1.00 0.00 O ATOM 896 CB CYS A 60 71.903 -2.399 9.655 1.00 0.00 C ATOM 897 SG CYS A 60 71.894 -2.458 11.485 1.00 0.00 S ATOM 0 H CYS A 60 71.175 -0.130 9.125 1.00 0.00 H new ATOM 0 HA CYS A 60 73.656 -1.158 9.880 1.00 0.00 H new ATOM 0 HB2 CYS A 60 70.900 -2.176 9.291 1.00 0.00 H new ATOM 0 HB3 CYS A 60 72.176 -3.377 9.258 1.00 0.00 H new ATOM 902 N ARG A 61 72.975 -1.490 6.723 1.00 0.00 N ATOM 903 CA ARG A 61 73.488 -1.960 5.439 1.00 0.00 C ATOM 904 C ARG A 61 74.942 -1.527 5.227 1.00 0.00 C ATOM 905 O ARG A 61 75.714 -2.268 4.613 1.00 0.00 O ATOM 906 CB ARG A 61 72.626 -1.396 4.293 1.00 0.00 C ATOM 907 CG ARG A 61 71.153 -1.888 4.405 1.00 0.00 C ATOM 908 CD ARG A 61 70.277 -1.259 3.306 1.00 0.00 C ATOM 909 NE ARG A 61 68.916 -1.772 3.411 1.00 0.00 N ATOM 910 CZ ARG A 61 67.954 -1.392 2.579 1.00 0.00 C ATOM 911 NH1 ARG A 61 68.205 -0.493 1.667 1.00 0.00 N ATOM 912 NH2 ARG A 61 66.763 -1.914 2.672 1.00 0.00 N ATOM 0 H ARG A 61 72.178 -0.857 6.656 1.00 0.00 H new ATOM 0 HA ARG A 61 73.445 -3.049 5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.652 -0.307 4.317 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.044 -1.704 3.334 1.00 0.00 H new ATOM 0 HG2 ARG A 61 71.121 -2.974 4.323 1.00 0.00 H new ATOM 0 HG3 ARG A 61 70.753 -1.630 5.386 1.00 0.00 H new ATOM 0 HD2 ARG A 61 70.276 -0.173 3.405 1.00 0.00 H new ATOM 0 HD3 ARG A 61 70.688 -1.489 2.323 1.00 0.00 H new ATOM 0 HE ARG A 61 68.696 -2.444 4.147 1.00 0.00 H new ATOM 0 HH11 ARG A 61 69.137 -0.085 1.596 1.00 0.00 H new ATOM 0 HH12 ARG A 61 67.469 -0.198 1.026 1.00 0.00 H new ATOM 0 HH21 ARG A 61 66.568 -2.616 3.386 1.00 0.00 H new ATOM 0 HH22 ARG A 61 66.026 -1.620 2.031 1.00 0.00 H new ATOM 926 N TYR A 62 75.289 -0.329 5.729 1.00 0.00 N ATOM 927 CA TYR A 62 76.647 0.230 5.589 1.00 0.00 C ATOM 928 C TYR A 62 77.498 -0.020 6.830 1.00 0.00 C ATOM 929 O TYR A 62 78.636 -0.477 6.711 1.00 0.00 O ATOM 930 CB TYR A 62 76.568 1.740 5.355 1.00 0.00 C ATOM 931 CG TYR A 62 75.699 2.033 4.121 1.00 0.00 C ATOM 932 CD1 TYR A 62 74.313 2.202 4.272 1.00 0.00 C ATOM 933 CD2 TYR A 62 76.282 2.134 2.853 1.00 0.00 C ATOM 934 CE1 TYR A 62 73.522 2.484 3.156 1.00 0.00 C ATOM 935 CE2 TYR A 62 75.488 2.407 1.736 1.00 0.00 C ATOM 936 CZ TYR A 62 74.102 2.583 1.889 1.00 0.00 C ATOM 937 OH TYR A 62 73.315 2.851 0.787 1.00 0.00 O ATOM 0 H TYR A 62 74.644 0.275 6.239 1.00 0.00 H new ATOM 0 HA TYR A 62 77.113 -0.269 4.739 1.00 0.00 H new ATOM 0 HB2 TYR A 62 76.147 2.231 6.232 1.00 0.00 H new ATOM 0 HB3 TYR A 62 77.569 2.147 5.211 1.00 0.00 H new ATOM 0 HD1 TYR A 62 73.860 2.114 5.248 1.00 0.00 H new ATOM 0 HD2 TYR A 62 77.347 2.001 2.737 1.00 0.00 H new ATOM 0 HE1 TYR A 62 72.458 2.626 3.273 1.00 0.00 H new ATOM 0 HE2 TYR A 62 75.938 2.483 0.757 1.00 0.00 H new ATOM 0 HH TYR A 62 73.877 2.887 -0.015 1.00 0.00 H new ATOM 947 N GLN A 63 76.936 0.320 8.006 1.00 0.00 N ATOM 948 CA GLN A 63 77.630 0.177 9.304 1.00 0.00 C ATOM 949 C GLN A 63 76.695 -0.414 10.346 1.00 0.00 C ATOM 950 O GLN A 63 75.680 0.186 10.671 1.00 0.00 O ATOM 951 CB GLN A 63 78.104 1.552 9.823 1.00 0.00 C ATOM 952 CG GLN A 63 79.224 2.144 8.944 1.00 0.00 C ATOM 953 CD GLN A 63 79.636 3.516 9.469 1.00 0.00 C ATOM 954 OE1 GLN A 63 79.129 3.976 10.494 1.00 0.00 O ATOM 955 NE2 GLN A 63 80.531 4.206 8.821 1.00 0.00 N ATOM 0 H GLN A 63 75.993 0.700 8.085 1.00 0.00 H new ATOM 0 HA GLN A 63 78.485 -0.481 9.146 1.00 0.00 H new ATOM 0 HB2 GLN A 63 77.260 2.241 9.848 1.00 0.00 H new ATOM 0 HB3 GLN A 63 78.462 1.449 10.847 1.00 0.00 H new ATOM 0 HG2 GLN A 63 80.085 1.475 8.939 1.00 0.00 H new ATOM 0 HG3 GLN A 63 78.881 2.229 7.913 1.00 0.00 H new ATOM 0 HE21 GLN A 63 80.951 3.827 7.973 1.00 0.00 H new ATOM 0 HE22 GLN A 63 80.811 5.126 9.162 1.00 0.00 H new ATOM 964 N LYS A 64 77.052 -1.590 10.854 1.00 0.00 N ATOM 965 CA LYS A 64 76.233 -2.273 11.862 1.00 0.00 C ATOM 966 C LYS A 64 76.038 -1.400 13.093 1.00 0.00 C ATOM 967 O LYS A 64 76.979 -0.752 13.560 1.00 0.00 O ATOM 968 CB LYS A 64 76.883 -3.598 12.309 1.00 0.00 C ATOM 969 CG LYS A 64 77.280 -4.523 11.127 1.00 0.00 C ATOM 970 CD LYS A 64 76.097 -4.838 10.180 1.00 0.00 C ATOM 971 CE LYS A 64 76.412 -6.085 9.337 1.00 0.00 C ATOM 972 NZ LYS A 64 75.556 -6.087 8.119 1.00 0.00 N ATOM 0 H LYS A 64 77.899 -2.092 10.588 1.00 0.00 H new ATOM 0 HA LYS A 64 75.269 -2.477 11.396 1.00 0.00 H new ATOM 0 HB2 LYS A 64 77.771 -3.376 12.901 1.00 0.00 H new ATOM 0 HB3 LYS A 64 76.191 -4.131 12.961 1.00 0.00 H new ATOM 0 HG2 LYS A 64 78.079 -4.050 10.556 1.00 0.00 H new ATOM 0 HG3 LYS A 64 77.680 -5.457 11.522 1.00 0.00 H new ATOM 0 HD2 LYS A 64 75.190 -5.002 10.761 1.00 0.00 H new ATOM 0 HD3 LYS A 64 75.907 -3.986 9.527 1.00 0.00 H new ATOM 0 HE2 LYS A 64 77.465 -6.091 9.055 1.00 0.00 H new ATOM 0 HE3 LYS A 64 76.234 -6.987 9.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 75.229 -7.055 7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 74.735 -5.468 8.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 76.106 -5.740 7.308 1.00 0.00 H new ATOM 986 N ASP A 65 74.786 -1.411 13.580 1.00 0.00 N ATOM 987 CA ASP A 65 74.355 -0.639 14.757 1.00 0.00 C ATOM 988 C ASP A 65 73.738 -1.562 15.820 1.00 0.00 C ATOM 989 O ASP A 65 73.035 -1.114 16.718 1.00 0.00 O ATOM 990 CB ASP A 65 73.288 0.378 14.334 1.00 0.00 C ATOM 991 CG ASP A 65 73.443 0.777 12.851 1.00 0.00 C ATOM 992 OD1 ASP A 65 74.433 1.436 12.579 1.00 0.00 O ATOM 993 OD2 ASP A 65 72.610 0.427 12.003 1.00 0.00 O ATOM 0 H ASP A 65 74.036 -1.963 13.163 1.00 0.00 H new ATOM 0 HA ASP A 65 75.229 -0.138 15.174 1.00 0.00 H new ATOM 0 HB2 ASP A 65 72.296 -0.045 14.496 1.00 0.00 H new ATOM 0 HB3 ASP A 65 73.362 1.267 14.961 1.00 0.00 H new ATOM 998 N LEU A 66 73.978 -2.863 15.706 1.00 0.00 N ATOM 999 CA LEU A 66 73.396 -3.851 16.640 1.00 0.00 C ATOM 1000 C LEU A 66 73.758 -3.618 18.128 1.00 0.00 C ATOM 1001 O LEU A 66 73.316 -4.376 18.994 1.00 0.00 O ATOM 1002 CB LEU A 66 73.848 -5.275 16.228 1.00 0.00 C ATOM 1003 CG LEU A 66 73.174 -5.733 14.900 1.00 0.00 C ATOM 1004 CD1 LEU A 66 74.075 -6.743 14.168 1.00 0.00 C ATOM 1005 CD2 LEU A 66 71.823 -6.442 15.167 1.00 0.00 C ATOM 0 H LEU A 66 74.569 -3.269 14.981 1.00 0.00 H new ATOM 0 HA LEU A 66 72.315 -3.733 16.566 1.00 0.00 H new ATOM 0 HB2 LEU A 66 74.932 -5.293 16.111 1.00 0.00 H new ATOM 0 HB3 LEU A 66 73.601 -5.979 17.023 1.00 0.00 H new ATOM 0 HG LEU A 66 73.015 -4.837 14.300 1.00 0.00 H new ATOM 0 HD11 LEU A 66 73.593 -7.056 13.242 1.00 0.00 H new ATOM 0 HD12 LEU A 66 75.033 -6.277 13.939 1.00 0.00 H new ATOM 0 HD13 LEU A 66 74.238 -7.613 14.804 1.00 0.00 H new ATOM 0 HD21 LEU A 66 71.380 -6.749 14.220 1.00 0.00 H new ATOM 0 HD22 LEU A 66 71.990 -7.320 15.791 1.00 0.00 H new ATOM 0 HD23 LEU A 66 71.147 -5.757 15.679 1.00 0.00 H new ATOM 1017 N ALA A 67 74.531 -2.584 18.442 1.00 0.00 N ATOM 1018 CA ALA A 67 74.894 -2.316 19.823 1.00 0.00 C ATOM 1019 C ALA A 67 73.681 -1.863 20.625 1.00 0.00 C ATOM 1020 O ALA A 67 73.488 -2.295 21.762 1.00 0.00 O ATOM 1021 CB ALA A 67 75.964 -1.227 19.877 1.00 0.00 C ATOM 0 H ALA A 67 74.914 -1.925 17.764 1.00 0.00 H new ATOM 0 HA ALA A 67 75.280 -3.238 20.257 1.00 0.00 H new ATOM 0 HB1 ALA A 67 76.232 -1.031 20.915 1.00 0.00 H new ATOM 0 HB2 ALA A 67 76.847 -1.558 19.331 1.00 0.00 H new ATOM 0 HB3 ALA A 67 75.577 -0.314 19.423 1.00 0.00 H new ATOM 1027 N ILE A 68 72.881 -0.969 20.040 1.00 0.00 N ATOM 1028 CA ILE A 68 71.712 -0.448 20.739 1.00 0.00 C ATOM 1029 C ILE A 68 70.679 -1.541 21.027 1.00 0.00 C ATOM 1030 O ILE A 68 70.127 -1.577 22.125 1.00 0.00 O ATOM 1031 CB ILE A 68 71.075 0.743 19.979 1.00 0.00 C ATOM 1032 CG1 ILE A 68 71.047 0.491 18.451 1.00 0.00 C ATOM 1033 CG2 ILE A 68 71.889 2.026 20.241 1.00 0.00 C ATOM 1034 CD1 ILE A 68 69.868 1.230 17.794 1.00 0.00 C ATOM 0 H ILE A 68 73.020 -0.598 19.100 1.00 0.00 H new ATOM 0 HA ILE A 68 72.062 -0.075 21.702 1.00 0.00 H new ATOM 0 HB ILE A 68 70.053 0.853 20.341 1.00 0.00 H new ATOM 0 HG12 ILE A 68 71.984 0.825 18.006 1.00 0.00 H new ATOM 0 HG13 ILE A 68 70.965 -0.578 18.256 1.00 0.00 H new ATOM 0 HG21 ILE A 68 71.437 2.860 19.704 1.00 0.00 H new ATOM 0 HG22 ILE A 68 71.894 2.242 21.309 1.00 0.00 H new ATOM 0 HG23 ILE A 68 72.913 1.884 19.895 1.00 0.00 H new ATOM 0 HD11 ILE A 68 69.870 1.037 16.721 1.00 0.00 H new ATOM 0 HD12 ILE A 68 68.931 0.876 18.224 1.00 0.00 H new ATOM 0 HD13 ILE A 68 69.966 2.301 17.970 1.00 0.00 H new ATOM 1046 N HIS A 69 70.421 -2.421 20.054 1.00 0.00 N ATOM 1047 CA HIS A 69 69.456 -3.500 20.235 1.00 0.00 C ATOM 1048 C HIS A 69 69.837 -4.373 21.435 1.00 0.00 C ATOM 1049 O HIS A 69 68.990 -4.678 22.275 1.00 0.00 O ATOM 1050 CB HIS A 69 69.427 -4.371 18.977 1.00 0.00 C ATOM 1051 CG HIS A 69 68.264 -5.321 19.053 1.00 0.00 C ATOM 1052 ND1 HIS A 69 66.951 -4.885 18.978 1.00 0.00 N ATOM 1053 CD2 HIS A 69 68.203 -6.687 19.197 1.00 0.00 C ATOM 1054 CE1 HIS A 69 66.162 -5.971 19.083 1.00 0.00 C ATOM 1055 NE2 HIS A 69 66.875 -7.096 19.214 1.00 0.00 N ATOM 0 H HIS A 69 70.868 -2.404 19.137 1.00 0.00 H new ATOM 0 HA HIS A 69 68.475 -3.060 20.414 1.00 0.00 H new ATOM 0 HB2 HIS A 69 69.341 -3.744 18.089 1.00 0.00 H new ATOM 0 HB3 HIS A 69 70.360 -4.927 18.885 1.00 0.00 H new ATOM 0 HD2 HIS A 69 69.057 -7.342 19.284 1.00 0.00 H new ATOM 0 HE1 HIS A 69 65.083 -5.938 19.064 1.00 0.00 H new ATOM 0 HE2 HIS A 69 66.520 -8.048 19.306 1.00 0.00 H new ATOM 1063 N HIS A 70 71.115 -4.750 21.513 1.00 0.00 N ATOM 1064 CA HIS A 70 71.605 -5.572 22.621 1.00 0.00 C ATOM 1065 C HIS A 70 71.747 -4.731 23.886 1.00 0.00 C ATOM 1066 O HIS A 70 72.309 -3.635 23.847 1.00 0.00 O ATOM 1067 CB HIS A 70 72.964 -6.174 22.261 1.00 0.00 C ATOM 1068 CG HIS A 70 72.784 -7.206 21.182 1.00 0.00 C ATOM 1069 ND1 HIS A 70 72.602 -6.861 19.849 1.00 0.00 N ATOM 1070 CD2 HIS A 70 72.751 -8.576 21.220 1.00 0.00 C ATOM 1071 CE1 HIS A 70 72.475 -8.007 19.150 1.00 0.00 C ATOM 1072 NE2 HIS A 70 72.558 -9.080 19.940 1.00 0.00 N ATOM 0 H HIS A 70 71.826 -4.501 20.826 1.00 0.00 H new ATOM 0 HA HIS A 70 70.886 -6.371 22.802 1.00 0.00 H new ATOM 0 HB2 HIS A 70 73.642 -5.391 21.921 1.00 0.00 H new ATOM 0 HB3 HIS A 70 73.418 -6.628 23.142 1.00 0.00 H new ATOM 0 HD1 HIS A 70 72.570 -5.915 19.469 1.00 0.00 H new ATOM 0 HD2 HIS A 70 72.859 -9.175 22.112 1.00 0.00 H new ATOM 0 HE1 HIS A 70 72.325 -8.051 18.081 1.00 0.00 H new ATOM 1080 N GLN A 71 71.241 -5.253 25.001 1.00 0.00 N ATOM 1081 CA GLN A 71 71.319 -4.551 26.282 1.00 0.00 C ATOM 1082 C GLN A 71 72.740 -4.607 26.834 1.00 0.00 C ATOM 1083 O GLN A 71 73.321 -5.686 26.957 1.00 0.00 O ATOM 1084 CB GLN A 71 70.355 -5.198 27.292 1.00 0.00 C ATOM 1085 CG GLN A 71 68.895 -4.813 26.983 1.00 0.00 C ATOM 1086 CD GLN A 71 68.552 -3.446 27.580 1.00 0.00 C ATOM 1087 OE1 GLN A 71 68.581 -3.273 28.801 1.00 0.00 O ATOM 1088 NE2 GLN A 71 68.231 -2.461 26.789 1.00 0.00 N ATOM 0 H GLN A 71 70.773 -6.158 25.045 1.00 0.00 H new ATOM 0 HA GLN A 71 71.039 -3.509 26.124 1.00 0.00 H new ATOM 0 HB2 GLN A 71 70.464 -6.282 27.261 1.00 0.00 H new ATOM 0 HB3 GLN A 71 70.613 -4.880 28.302 1.00 0.00 H new ATOM 0 HG2 GLN A 71 68.741 -4.792 25.904 1.00 0.00 H new ATOM 0 HG3 GLN A 71 68.222 -5.570 27.386 1.00 0.00 H new ATOM 0 HE21 GLN A 71 68.207 -2.605 25.779 1.00 0.00 H new ATOM 0 HE22 GLN A 71 68.004 -1.547 27.180 1.00 0.00 H new ATOM 1097 N HIS A 72 73.288 -3.438 27.169 1.00 0.00 N ATOM 1098 CA HIS A 72 74.644 -3.356 27.710 1.00 0.00 C ATOM 1099 C HIS A 72 74.675 -3.842 29.156 1.00 0.00 C ATOM 1100 O HIS A 72 73.842 -3.447 29.972 1.00 0.00 O ATOM 1101 CB HIS A 72 75.147 -1.913 27.650 1.00 0.00 C ATOM 1102 CG HIS A 72 75.331 -1.504 26.215 1.00 0.00 C ATOM 1103 ND1 HIS A 72 74.299 -0.965 25.464 1.00 0.00 N ATOM 1104 CD2 HIS A 72 76.420 -1.551 25.380 1.00 0.00 C ATOM 1105 CE1 HIS A 72 74.790 -0.711 24.236 1.00 0.00 C ATOM 1106 NE2 HIS A 72 76.074 -1.052 24.129 1.00 0.00 N ATOM 0 H HIS A 72 72.816 -2.539 27.076 1.00 0.00 H new ATOM 0 HA HIS A 72 75.291 -3.993 27.107 1.00 0.00 H new ATOM 0 HB2 HIS A 72 74.436 -1.248 28.140 1.00 0.00 H new ATOM 0 HB3 HIS A 72 76.090 -1.823 28.188 1.00 0.00 H new ATOM 0 HD2 HIS A 72 77.398 -1.920 25.653 1.00 0.00 H new ATOM 0 HE1 HIS A 72 74.211 -0.281 23.432 1.00 0.00 H new ATOM 0 HE2 HIS A 72 76.673 -0.966 23.308 1.00 0.00 H new ATOM 1114 N HIS A 73 75.642 -4.699 29.468 1.00 0.00 N ATOM 1115 CA HIS A 73 75.775 -5.234 30.819 1.00 0.00 C ATOM 1116 C HIS A 73 76.153 -4.131 31.803 1.00 0.00 C ATOM 1117 O HIS A 73 75.626 -4.068 32.913 1.00 0.00 O ATOM 1118 CB HIS A 73 76.847 -6.325 30.843 1.00 0.00 C ATOM 1119 CG HIS A 73 76.339 -7.540 30.119 1.00 0.00 C ATOM 1120 ND1 HIS A 73 75.495 -8.464 30.722 1.00 0.00 N ATOM 1121 CD2 HIS A 73 76.540 -7.998 28.843 1.00 0.00 C ATOM 1122 CE1 HIS A 73 75.222 -9.417 29.819 1.00 0.00 C ATOM 1123 NE2 HIS A 73 75.831 -9.183 28.656 1.00 0.00 N ATOM 0 H HIS A 73 76.342 -5.037 28.807 1.00 0.00 H new ATOM 0 HA HIS A 73 74.815 -5.656 31.116 1.00 0.00 H new ATOM 0 HB2 HIS A 73 77.761 -5.963 30.372 1.00 0.00 H new ATOM 0 HB3 HIS A 73 77.099 -6.580 31.872 1.00 0.00 H new ATOM 0 HD2 HIS A 73 77.154 -7.515 28.097 1.00 0.00 H new ATOM 0 HE1 HIS A 73 74.587 -10.269 30.010 1.00 0.00 H new ATOM 0 HE2 HIS A 73 75.787 -9.751 27.810 1.00 0.00 H new ATOM 1131 N HIS A 74 77.070 -3.261 31.389 1.00 0.00 N ATOM 1132 CA HIS A 74 77.509 -2.165 32.244 1.00 0.00 C ATOM 1133 C HIS A 74 76.359 -1.198 32.499 1.00 0.00 C ATOM 1134 O HIS A 74 76.186 -0.701 33.612 1.00 0.00 O ATOM 1135 CB HIS A 74 78.671 -1.415 31.587 1.00 0.00 C ATOM 1136 CG HIS A 74 79.913 -2.262 31.644 1.00 0.00 C ATOM 1137 ND1 HIS A 74 80.229 -3.176 30.649 1.00 0.00 N ATOM 1138 CD2 HIS A 74 80.927 -2.339 32.563 1.00 0.00 C ATOM 1139 CE1 HIS A 74 81.390 -3.754 30.995 1.00 0.00 C ATOM 1140 NE2 HIS A 74 81.860 -3.283 32.152 1.00 0.00 N ATOM 0 H HIS A 74 77.520 -3.293 30.474 1.00 0.00 H new ATOM 0 HA HIS A 74 77.842 -2.582 33.194 1.00 0.00 H new ATOM 0 HB2 HIS A 74 78.426 -1.179 30.551 1.00 0.00 H new ATOM 0 HB3 HIS A 74 78.841 -0.467 32.098 1.00 0.00 H new ATOM 0 HD2 HIS A 74 80.991 -1.755 33.469 1.00 0.00 H new ATOM 0 HE1 HIS A 74 81.886 -4.512 30.406 1.00 0.00 H new ATOM 0 HE2 HIS A 74 82.718 -3.557 32.631 1.00 0.00 H new ATOM 1148 N GLY A 75 75.571 -0.939 31.460 1.00 0.00 N ATOM 1149 CA GLY A 75 74.436 -0.034 31.582 1.00 0.00 C ATOM 1150 C GLY A 75 73.351 -0.645 32.460 1.00 0.00 C ATOM 1151 O GLY A 75 73.198 -1.866 32.509 1.00 0.00 O ATOM 0 H GLY A 75 75.697 -1.340 30.531 1.00 0.00 H new ATOM 0 HA2 GLY A 75 74.765 0.914 32.008 1.00 0.00 H new ATOM 0 HA3 GLY A 75 74.031 0.184 30.594 1.00 0.00 H new ATOM 1155 N GLY A 76 72.603 0.210 33.150 1.00 0.00 N ATOM 1156 CA GLY A 76 71.532 -0.255 34.028 1.00 0.00 C ATOM 1157 C GLY A 76 70.350 -0.780 33.217 1.00 0.00 C ATOM 1158 O GLY A 76 70.293 -0.606 32.000 1.00 0.00 O ATOM 0 H GLY A 76 72.717 1.223 33.120 1.00 0.00 H new ATOM 0 HA2 GLY A 76 71.908 -1.042 34.681 1.00 0.00 H new ATOM 0 HA3 GLY A 76 71.203 0.562 34.670 1.00 0.00 H new ATOM 1162 N SER A 77 69.411 -1.420 33.904 1.00 0.00 N ATOM 1163 CA SER A 77 68.232 -1.973 33.246 1.00 0.00 C ATOM 1164 C SER A 77 67.414 -0.870 32.583 1.00 0.00 C ATOM 1165 O SER A 77 66.825 -1.081 31.523 1.00 0.00 O ATOM 1166 CB SER A 77 67.357 -2.703 34.267 1.00 0.00 C ATOM 1167 OG SER A 77 66.966 -1.793 35.287 1.00 0.00 O ATOM 0 H SER A 77 69.442 -1.569 34.913 1.00 0.00 H new ATOM 0 HA SER A 77 68.568 -2.673 32.481 1.00 0.00 H new ATOM 0 HB2 SER A 77 66.476 -3.118 33.777 1.00 0.00 H new ATOM 0 HB3 SER A 77 67.905 -3.540 34.701 1.00 0.00 H new ATOM 0 HG SER A 77 66.404 -2.257 35.942 1.00 0.00 H new ATOM 1173 N MET A 78 67.382 0.297 33.219 1.00 0.00 N ATOM 1174 CA MET A 78 66.629 1.434 32.692 1.00 0.00 C ATOM 1175 C MET A 78 67.343 2.032 31.482 1.00 0.00 C ATOM 1176 O MET A 78 68.572 2.072 31.430 1.00 0.00 O ATOM 1177 CB MET A 78 66.471 2.509 33.784 1.00 0.00 C ATOM 1178 CG MET A 78 65.525 2.027 34.904 1.00 0.00 C ATOM 1179 SD MET A 78 65.507 3.254 36.239 1.00 0.00 S ATOM 1180 CE MET A 78 64.557 2.299 37.454 1.00 0.00 C ATOM 0 H MET A 78 67.867 0.482 34.097 1.00 0.00 H new ATOM 0 HA MET A 78 65.644 1.085 32.382 1.00 0.00 H new ATOM 0 HB2 MET A 78 67.447 2.749 34.206 1.00 0.00 H new ATOM 0 HB3 MET A 78 66.080 3.426 33.343 1.00 0.00 H new ATOM 0 HG2 MET A 78 64.518 1.886 34.510 1.00 0.00 H new ATOM 0 HG3 MET A 78 65.856 1.061 35.286 1.00 0.00 H new ATOM 0 HE1 MET A 78 64.433 2.887 38.363 1.00 0.00 H new ATOM 0 HE2 MET A 78 63.577 2.058 37.042 1.00 0.00 H new ATOM 0 HE3 MET A 78 65.089 1.377 37.688 1.00 0.00 H new ATOM 1190 N GLY A 79 66.557 2.486 30.509 1.00 0.00 N ATOM 1191 CA GLY A 79 67.112 3.075 29.294 1.00 0.00 C ATOM 1192 C GLY A 79 67.725 4.443 29.576 1.00 0.00 C ATOM 1193 O GLY A 79 67.257 5.177 30.446 1.00 0.00 O ATOM 0 H GLY A 79 65.538 2.458 30.538 1.00 0.00 H new ATOM 0 HA2 GLY A 79 67.871 2.412 28.879 1.00 0.00 H new ATOM 0 HA3 GLY A 79 66.328 3.172 28.543 1.00 0.00 H new ATOM 1197 N MET A 80 68.777 4.774 28.837 1.00 0.00 N ATOM 1198 CA MET A 80 69.454 6.056 29.016 1.00 0.00 C ATOM 1199 C MET A 80 68.528 7.210 28.639 1.00 0.00 C ATOM 1200 O MET A 80 68.505 8.242 29.309 1.00 0.00 O ATOM 1201 CB MET A 80 70.719 6.107 28.143 1.00 0.00 C ATOM 1202 CG MET A 80 71.839 5.244 28.751 1.00 0.00 C ATOM 1203 SD MET A 80 72.713 6.165 30.052 1.00 0.00 S ATOM 1204 CE MET A 80 74.077 6.834 29.059 1.00 0.00 C ATOM 0 H MET A 80 69.179 4.179 28.113 1.00 0.00 H new ATOM 0 HA MET A 80 69.731 6.155 30.066 1.00 0.00 H new ATOM 0 HB2 MET A 80 70.487 5.754 27.138 1.00 0.00 H new ATOM 0 HB3 MET A 80 71.059 7.138 28.048 1.00 0.00 H new ATOM 0 HG2 MET A 80 71.417 4.329 29.166 1.00 0.00 H new ATOM 0 HG3 MET A 80 72.541 4.947 27.972 1.00 0.00 H new ATOM 0 HE1 MET A 80 74.728 7.435 29.694 1.00 0.00 H new ATOM 0 HE2 MET A 80 74.649 6.013 28.626 1.00 0.00 H new ATOM 0 HE3 MET A 80 73.674 7.456 28.260 1.00 0.00 H new ATOM 1214 N SER A 81 67.768 7.027 27.565 1.00 0.00 N ATOM 1215 CA SER A 81 66.843 8.061 27.110 1.00 0.00 C ATOM 1216 C SER A 81 65.718 8.264 28.120 1.00 0.00 C ATOM 1217 O SER A 81 65.255 9.385 28.331 1.00 0.00 O ATOM 1218 CB SER A 81 66.252 7.672 25.755 1.00 0.00 C ATOM 1219 OG SER A 81 65.576 6.426 25.878 1.00 0.00 O ATOM 0 H SER A 81 67.773 6.180 26.997 1.00 0.00 H new ATOM 0 HA SER A 81 67.396 8.995 27.012 1.00 0.00 H new ATOM 0 HB2 SER A 81 65.561 8.442 25.412 1.00 0.00 H new ATOM 0 HB3 SER A 81 67.042 7.598 25.008 1.00 0.00 H new ATOM 0 HG SER A 81 65.194 6.174 25.011 1.00 0.00 H new ATOM 1225 N GLY A 82 65.283 7.173 28.739 1.00 0.00 N ATOM 1226 CA GLY A 82 64.209 7.240 29.724 1.00 0.00 C ATOM 1227 C GLY A 82 64.644 8.022 30.960 1.00 0.00 C ATOM 1228 O GLY A 82 65.823 8.039 31.316 1.00 0.00 O ATOM 0 H GLY A 82 65.654 6.237 28.578 1.00 0.00 H new ATOM 0 HA2 GLY A 82 63.333 7.714 29.280 1.00 0.00 H new ATOM 0 HA3 GLY A 82 63.914 6.232 30.013 1.00 0.00 H new ATOM 1232 N SER A 83 63.680 8.668 31.611 1.00 0.00 N ATOM 1233 CA SER A 83 63.963 9.454 32.807 1.00 0.00 C ATOM 1234 C SER A 83 64.470 8.563 33.934 1.00 0.00 C ATOM 1235 O SER A 83 65.328 8.968 34.719 1.00 0.00 O ATOM 1236 CB SER A 83 62.698 10.179 33.265 1.00 0.00 C ATOM 1237 OG SER A 83 61.680 9.222 33.531 1.00 0.00 O ATOM 0 H SER A 83 62.699 8.662 31.331 1.00 0.00 H new ATOM 0 HA SER A 83 64.736 10.182 32.561 1.00 0.00 H new ATOM 0 HB2 SER A 83 62.905 10.766 34.160 1.00 0.00 H new ATOM 0 HB3 SER A 83 62.366 10.877 32.496 1.00 0.00 H new ATOM 0 HG SER A 83 61.328 9.362 34.435 1.00 0.00 H new ATOM 1243 N GLY A 84 63.927 7.349 34.010 1.00 0.00 N ATOM 1244 CA GLY A 84 64.322 6.401 35.045 1.00 0.00 C ATOM 1245 C GLY A 84 63.743 6.801 36.396 1.00 0.00 C ATOM 1246 O GLY A 84 64.078 6.203 37.419 1.00 0.00 O ATOM 0 H GLY A 84 63.214 7.001 33.368 1.00 0.00 H new ATOM 0 HA2 GLY A 84 63.978 5.401 34.779 1.00 0.00 H new ATOM 0 HA3 GLY A 84 65.409 6.358 35.109 1.00 0.00 H new ATOM 1250 N THR A 85 62.875 7.816 36.388 1.00 0.00 N ATOM 1251 CA THR A 85 62.254 8.299 37.622 1.00 0.00 C ATOM 1252 C THR A 85 61.157 7.339 38.079 1.00 0.00 C ATOM 1253 O THR A 85 60.684 6.505 37.304 1.00 0.00 O ATOM 1254 CB THR A 85 61.656 9.698 37.406 1.00 0.00 C ATOM 1255 OG1 THR A 85 60.913 9.714 36.196 1.00 0.00 O ATOM 1256 CG2 THR A 85 62.772 10.751 37.337 1.00 0.00 C ATOM 0 H THR A 85 62.588 8.316 35.546 1.00 0.00 H new ATOM 0 HA THR A 85 63.023 8.353 38.393 1.00 0.00 H new ATOM 0 HB THR A 85 61.000 9.934 38.244 1.00 0.00 H new ATOM 0 HG1 THR A 85 60.530 10.606 36.059 1.00 0.00 H new ATOM 0 HG21 THR A 85 62.333 11.737 37.184 1.00 0.00 H new ATOM 0 HG22 THR A 85 63.335 10.746 38.270 1.00 0.00 H new ATOM 0 HG23 THR A 85 63.441 10.519 36.508 1.00 0.00 H new ATOM 1264 N GLY A 86 60.764 7.459 39.342 1.00 0.00 N ATOM 1265 CA GLY A 86 59.728 6.595 39.902 1.00 0.00 C ATOM 1266 C GLY A 86 58.393 6.808 39.198 1.00 0.00 C ATOM 1267 O GLY A 86 57.668 5.855 38.916 1.00 0.00 O ATOM 0 H GLY A 86 61.144 8.143 39.996 1.00 0.00 H new ATOM 0 HA2 GLY A 86 60.030 5.552 39.807 1.00 0.00 H new ATOM 0 HA3 GLY A 86 59.617 6.799 40.967 1.00 0.00 H new ATOM 1271 N TYR A 87 58.075 8.066 38.920 1.00 0.00 N ATOM 1272 CA TYR A 87 56.827 8.402 38.252 1.00 0.00 C ATOM 1273 C TYR A 87 56.838 7.899 36.809 1.00 0.00 C ATOM 1274 O TYR A 87 55.959 7.124 36.466 1.00 0.00 O ATOM 1275 CB TYR A 87 56.632 9.919 38.274 1.00 0.00 C ATOM 1276 CG TYR A 87 55.310 10.282 37.587 1.00 0.00 C ATOM 1277 CD1 TYR A 87 54.107 10.187 38.304 1.00 0.00 C ATOM 1278 CD2 TYR A 87 55.297 10.708 36.255 1.00 0.00 C ATOM 1279 CE1 TYR A 87 52.895 10.513 37.681 1.00 0.00 C ATOM 1280 CE2 TYR A 87 54.085 11.043 35.634 1.00 0.00 C ATOM 1281 CZ TYR A 87 52.885 10.937 36.350 1.00 0.00 C ATOM 1282 OH TYR A 87 51.689 11.257 35.742 1.00 0.00 O ATOM 1283 OXT TYR A 87 57.727 8.291 36.071 1.00 0.00 O ATOM 0 H TYR A 87 58.663 8.868 39.147 1.00 0.00 H new ATOM 0 HA TYR A 87 56.003 7.920 38.778 1.00 0.00 H new ATOM 0 HB2 TYR A 87 56.629 10.280 39.303 1.00 0.00 H new ATOM 0 HB3 TYR A 87 57.463 10.409 37.767 1.00 0.00 H new ATOM 0 HD1 TYR A 87 54.116 9.863 39.334 1.00 0.00 H new ATOM 0 HD2 TYR A 87 56.223 10.779 35.703 1.00 0.00 H new ATOM 0 HE1 TYR A 87 51.968 10.436 38.230 1.00 0.00 H new ATOM 0 HE2 TYR A 87 54.076 11.381 34.608 1.00 0.00 H new ATOM 0 HH TYR A 87 51.856 11.534 34.817 1.00 0.00 H new TER 1293 TYR A 87 HETATM 1294 ZN ZN A 101 71.014 -0.645 12.675 1.00 0.00 ZN HETATM 1295 ZN ZN A 102 60.562 7.310 14.989 1.00 0.00 ZN