USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 525 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 ASN : amide:sc= 1.05 K(o=2.3,f=1.2) USER MOD Set 1.2: A 31 THR OG1 : rot -82:sc= 1.29 USER MOD Set 2.1: A 24 THR OG1 : rot 88:sc= 1.24 USER MOD Set 2.2: A 33 THR OG1 : rot 38:sc= 1.13 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -173:sc= 1.13 (180deg=1.05) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -2.49! C(o=-2.5!,f=-10!) USER MOD Single : A 40 THR OG1 : rot -75:sc= -1.51! USER MOD Single : A 46 GLN :FLIP amide:sc= -0.0251 F(o=-3.4!,f=-0.025) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -1.71 K(o=-1.7,f=-6.1!) USER MOD Single : A 56 LYS NZ :NH3+ -116:sc= -1.28! (180deg=-5.72!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.509 USER MOD Single : A 59 GLN : amide:sc= 0.529 K(o=0.53,f=-0.45) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.118 F(o=-2.7!,f=-0.12) USER MOD Single : A 69 THR OG1 : rot -86:sc= -2.36! USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -152:sc= 1.09 (180deg=0.98) USER MOD Single : A 79 CYS SG : rot 88:sc= 0.092 USER MOD Single : A 84 ASN : amide:sc= 0.191! C(o=0.19!,f=-12!) USER MOD Single : A 86 SER OG : rot 180:sc= -0.0958 USER MOD Single : A 88 GLN : amide:sc= -5.51! C(o=-5.5!,f=-9.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 18 -11.483 3.976 -11.645 1.00 0.00 N ATOM 2 CA MET A 18 -11.689 2.604 -11.124 1.00 0.00 C ATOM 3 C MET A 18 -11.533 2.570 -9.606 1.00 0.00 C ATOM 4 O MET A 18 -10.438 2.765 -9.092 1.00 0.00 O ATOM 5 CB MET A 18 -10.691 1.638 -11.773 1.00 0.00 C ATOM 6 CG MET A 18 -10.753 0.225 -11.214 1.00 0.00 C ATOM 7 SD MET A 18 -12.384 -0.521 -11.400 1.00 0.00 S ATOM 8 CE MET A 18 -12.137 -2.080 -10.551 1.00 0.00 C ATOM 0 HA MET A 18 -12.703 2.293 -11.374 1.00 0.00 H new ATOM 0 HB2 MET A 18 -10.879 1.603 -12.846 1.00 0.00 H new ATOM 0 HB3 MET A 18 -9.682 2.028 -11.639 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.014 -0.395 -11.721 1.00 0.00 H new ATOM 0 HG3 MET A 18 -10.484 0.244 -10.158 1.00 0.00 H new ATOM 0 HE1 MET A 18 -13.060 -2.660 -10.579 1.00 0.00 H new ATOM 0 HE2 MET A 18 -11.342 -2.640 -11.043 1.00 0.00 H new ATOM 0 HE3 MET A 18 -11.859 -1.890 -9.514 1.00 0.00 H new ATOM 18 N ALA A 19 -12.626 2.317 -8.892 1.00 0.00 N ATOM 19 CA ALA A 19 -12.549 2.243 -7.436 1.00 0.00 C ATOM 20 C ALA A 19 -11.928 0.920 -7.010 1.00 0.00 C ATOM 21 O ALA A 19 -12.123 -0.102 -7.669 1.00 0.00 O ATOM 22 CB ALA A 19 -13.928 2.407 -6.814 1.00 0.00 C ATOM 0 H ALA A 19 -13.554 2.163 -9.285 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.917 3.058 -7.082 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.847 2.349 -5.729 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.341 3.376 -7.095 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.585 1.614 -7.172 1.00 0.00 H new ATOM 28 N LEU A 20 -11.176 0.941 -5.919 1.00 0.00 N ATOM 29 CA LEU A 20 -10.502 -0.258 -5.444 1.00 0.00 C ATOM 30 C LEU A 20 -10.578 -0.330 -3.922 1.00 0.00 C ATOM 31 O LEU A 20 -11.016 0.620 -3.273 1.00 0.00 O ATOM 32 CB LEU A 20 -9.041 -0.259 -5.918 1.00 0.00 C ATOM 33 CG LEU A 20 -8.263 -1.559 -5.680 1.00 0.00 C ATOM 34 CD1 LEU A 20 -8.902 -2.716 -6.435 1.00 0.00 C ATOM 35 CD2 LEU A 20 -6.812 -1.391 -6.098 1.00 0.00 C ATOM 0 H LEU A 20 -11.018 1.771 -5.348 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.998 -1.137 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.025 -0.038 -6.985 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.516 0.554 -5.417 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.295 -1.787 -4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.334 -3.628 -6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.928 -2.852 -6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.903 -2.497 -7.503 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.273 -2.322 -5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.765 -1.138 -7.157 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.355 -0.592 -5.514 1.00 0.00 H new ATOM 47 N LYS A 21 -10.187 -1.465 -3.362 1.00 0.00 N ATOM 48 CA LYS A 21 -10.153 -1.640 -1.919 1.00 0.00 C ATOM 49 C LYS A 21 -8.779 -2.100 -1.457 1.00 0.00 C ATOM 50 O LYS A 21 -8.346 -3.202 -1.781 1.00 0.00 O ATOM 51 CB LYS A 21 -11.196 -2.665 -1.489 1.00 0.00 C ATOM 52 CG LYS A 21 -12.595 -2.099 -1.325 1.00 0.00 C ATOM 53 CD LYS A 21 -13.641 -3.194 -1.426 1.00 0.00 C ATOM 54 CE LYS A 21 -13.301 -4.390 -0.557 1.00 0.00 C ATOM 55 NZ LYS A 21 -13.751 -5.661 -1.186 1.00 0.00 N ATOM 0 H LYS A 21 -9.887 -2.284 -3.891 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.374 -0.676 -1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.225 -3.468 -2.226 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.883 -3.110 -0.544 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.678 -1.600 -0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.778 -1.345 -2.090 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.612 -2.796 -1.130 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.731 -3.514 -2.464 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.225 -4.426 -0.389 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.772 -4.278 0.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.613 -6.447 -0.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.759 -5.589 -1.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.196 -5.837 -2.048 1.00 0.00 H new ATOM 69 N CYS A 22 -8.099 -1.258 -0.704 1.00 0.00 N ATOM 70 CA CYS A 22 -6.825 -1.641 -0.120 1.00 0.00 C ATOM 71 C CYS A 22 -6.847 -1.354 1.375 1.00 0.00 C ATOM 72 O CYS A 22 -7.661 -0.556 1.849 1.00 0.00 O ATOM 73 CB CYS A 22 -5.668 -0.879 -0.780 1.00 0.00 C ATOM 74 SG CYS A 22 -5.737 -0.826 -2.602 1.00 0.00 S ATOM 0 H CYS A 22 -8.403 -0.310 -0.482 1.00 0.00 H new ATOM 0 HA CYS A 22 -6.671 -2.707 -0.288 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.659 0.142 -0.400 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.727 -1.340 -0.478 1.00 0.00 H new ATOM 79 N PHE A 23 -5.979 -2.023 2.119 1.00 0.00 N ATOM 80 CA PHE A 23 -5.827 -1.721 3.534 1.00 0.00 C ATOM 81 C PHE A 23 -5.113 -0.391 3.707 1.00 0.00 C ATOM 82 O PHE A 23 -3.991 -0.222 3.234 1.00 0.00 O ATOM 83 CB PHE A 23 -5.023 -2.816 4.236 1.00 0.00 C ATOM 84 CG PHE A 23 -5.837 -3.963 4.758 1.00 0.00 C ATOM 85 CD1 PHE A 23 -6.341 -3.924 6.046 1.00 0.00 C ATOM 86 CD2 PHE A 23 -6.082 -5.082 3.981 1.00 0.00 C ATOM 87 CE1 PHE A 23 -7.076 -4.975 6.552 1.00 0.00 C ATOM 88 CE2 PHE A 23 -6.816 -6.141 4.483 1.00 0.00 C ATOM 89 CZ PHE A 23 -7.315 -6.087 5.769 1.00 0.00 C ATOM 0 H PHE A 23 -5.376 -2.769 1.772 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.820 -1.667 3.979 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.280 -3.204 3.539 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.477 -2.369 5.067 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -6.156 -3.058 6.664 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.696 -5.128 2.973 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.464 -4.929 7.559 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -6.999 -7.010 3.869 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.891 -6.912 6.162 1.00 0.00 H new ATOM 99 N THR A 24 -5.760 0.550 4.366 1.00 0.00 N ATOM 100 CA THR A 24 -5.128 1.827 4.653 1.00 0.00 C ATOM 101 C THR A 24 -4.870 1.948 6.150 1.00 0.00 C ATOM 102 O THR A 24 -5.662 1.471 6.965 1.00 0.00 O ATOM 103 CB THR A 24 -5.989 3.006 4.151 1.00 0.00 C ATOM 104 OG1 THR A 24 -6.211 2.874 2.740 1.00 0.00 O ATOM 105 CG2 THR A 24 -5.319 4.345 4.428 1.00 0.00 C ATOM 0 H THR A 24 -6.715 0.458 4.711 1.00 0.00 H new ATOM 0 HA THR A 24 -4.177 1.868 4.122 1.00 0.00 H new ATOM 0 HB THR A 24 -6.938 2.979 4.687 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.013 2.332 2.584 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.953 5.152 4.061 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.168 4.461 5.501 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.355 4.382 3.920 1.00 0.00 H new ATOM 113 N ARG A 25 -3.745 2.549 6.505 1.00 0.00 N ATOM 114 CA ARG A 25 -3.365 2.679 7.901 1.00 0.00 C ATOM 115 C ARG A 25 -4.021 3.902 8.531 1.00 0.00 C ATOM 116 O ARG A 25 -3.676 5.038 8.207 1.00 0.00 O ATOM 117 CB ARG A 25 -1.841 2.792 8.015 1.00 0.00 C ATOM 118 CG ARG A 25 -1.099 1.663 7.321 1.00 0.00 C ATOM 119 CD ARG A 25 -1.261 0.342 8.053 1.00 0.00 C ATOM 120 NE ARG A 25 -0.217 0.143 9.055 1.00 0.00 N ATOM 121 CZ ARG A 25 -0.446 -0.018 10.354 1.00 0.00 C ATOM 122 NH1 ARG A 25 -1.682 0.053 10.825 1.00 0.00 N ATOM 123 NH2 ARG A 25 0.567 -0.237 11.182 1.00 0.00 N ATOM 0 H ARG A 25 -3.080 2.954 5.846 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.706 1.792 8.435 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.522 3.743 7.589 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.563 2.806 9.069 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.468 1.560 6.301 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.040 1.913 7.253 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.238 0.312 8.536 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.235 -0.477 7.334 1.00 0.00 H new ATOM 0 HE ARG A 25 0.752 0.127 8.737 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.460 0.232 10.190 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.856 -0.071 11.822 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.520 -0.282 10.821 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.393 -0.361 12.179 1.00 0.00 H new ATOM 137 N ASN A 26 -4.962 3.666 9.433 1.00 0.00 N ATOM 138 CA ASN A 26 -5.568 4.756 10.181 1.00 0.00 C ATOM 139 C ASN A 26 -4.870 4.874 11.522 1.00 0.00 C ATOM 140 O ASN A 26 -5.300 4.289 12.515 1.00 0.00 O ATOM 141 CB ASN A 26 -7.074 4.540 10.387 1.00 0.00 C ATOM 142 CG ASN A 26 -7.828 4.341 9.086 1.00 0.00 C ATOM 143 OD1 ASN A 26 -8.187 5.304 8.407 1.00 0.00 O ATOM 144 ND2 ASN A 26 -8.108 3.092 8.753 1.00 0.00 N ATOM 0 H ASN A 26 -5.319 2.739 9.663 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.450 5.677 9.610 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.227 3.670 11.026 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.490 5.399 10.914 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.641 2.897 7.905 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.791 2.323 9.344 1.00 0.00 H new ATOM 151 N GLY A 27 -3.769 5.609 11.538 1.00 0.00 N ATOM 152 CA GLY A 27 -2.955 5.653 12.733 1.00 0.00 C ATOM 153 C GLY A 27 -2.192 4.358 12.920 1.00 0.00 C ATOM 154 O GLY A 27 -1.232 4.085 12.198 1.00 0.00 O ATOM 0 H GLY A 27 -3.428 6.169 10.756 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.254 6.486 12.669 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.588 5.835 13.602 1.00 0.00 H new ATOM 158 N ASP A 28 -2.634 3.550 13.868 1.00 0.00 N ATOM 159 CA ASP A 28 -2.028 2.247 14.111 1.00 0.00 C ATOM 160 C ASP A 28 -2.894 1.144 13.509 1.00 0.00 C ATOM 161 O ASP A 28 -2.462 -0.007 13.388 1.00 0.00 O ATOM 162 CB ASP A 28 -1.847 2.015 15.613 1.00 0.00 C ATOM 163 CG ASP A 28 -3.164 2.048 16.364 1.00 0.00 C ATOM 164 OD1 ASP A 28 -3.783 3.133 16.420 1.00 0.00 O ATOM 165 OD2 ASP A 28 -3.579 0.994 16.884 1.00 0.00 O ATOM 0 H ASP A 28 -3.414 3.772 14.486 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.048 2.225 13.635 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.364 1.051 15.774 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.181 2.777 16.018 1.00 0.00 H new ATOM 170 N ASP A 29 -4.098 1.517 13.093 1.00 0.00 N ATOM 171 CA ASP A 29 -5.063 0.569 12.530 1.00 0.00 C ATOM 172 C ASP A 29 -4.810 0.300 11.047 1.00 0.00 C ATOM 173 O ASP A 29 -4.297 1.153 10.326 1.00 0.00 O ATOM 174 CB ASP A 29 -6.488 1.109 12.700 1.00 0.00 C ATOM 175 CG ASP A 29 -7.471 0.463 11.737 1.00 0.00 C ATOM 176 OD1 ASP A 29 -7.912 -0.666 12.012 1.00 0.00 O ATOM 177 OD2 ASP A 29 -7.770 1.076 10.682 1.00 0.00 O ATOM 0 H ASP A 29 -4.436 2.479 13.134 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.943 -0.369 13.072 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.820 0.936 13.724 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.486 2.188 12.544 1.00 0.00 H new ATOM 182 N ARG A 30 -5.120 -0.915 10.612 1.00 0.00 N ATOM 183 CA ARG A 30 -5.208 -1.183 9.184 1.00 0.00 C ATOM 184 C ARG A 30 -6.545 -1.841 8.858 1.00 0.00 C ATOM 185 O ARG A 30 -6.801 -2.973 9.266 1.00 0.00 O ATOM 186 CB ARG A 30 -4.045 -2.054 8.693 1.00 0.00 C ATOM 187 CG ARG A 30 -3.693 -3.223 9.599 1.00 0.00 C ATOM 188 CD ARG A 30 -2.595 -4.072 8.979 1.00 0.00 C ATOM 189 NE ARG A 30 -1.947 -4.950 9.950 1.00 0.00 N ATOM 190 CZ ARG A 30 -0.683 -5.371 9.830 1.00 0.00 C ATOM 191 NH1 ARG A 30 0.024 -5.059 8.758 1.00 0.00 N ATOM 192 NH2 ARG A 30 -0.125 -6.115 10.777 1.00 0.00 N ATOM 0 H ARG A 30 -5.311 -1.716 11.214 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.140 -0.229 8.661 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.292 -2.441 7.705 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.163 -1.425 8.577 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.367 -2.851 10.571 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.578 -3.835 9.772 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.017 -4.675 8.175 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.847 -3.419 8.529 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.485 -5.257 10.760 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.394 -4.495 8.018 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.988 -5.382 8.671 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.661 -6.371 11.606 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.840 -6.431 10.675 1.00 0.00 H new ATOM 206 N THR A 31 -7.384 -1.136 8.117 1.00 0.00 N ATOM 207 CA THR A 31 -8.697 -1.664 7.773 1.00 0.00 C ATOM 208 C THR A 31 -8.966 -1.566 6.273 1.00 0.00 C ATOM 209 O THR A 31 -8.205 -0.933 5.533 1.00 0.00 O ATOM 210 CB THR A 31 -9.809 -0.920 8.540 1.00 0.00 C ATOM 211 OG1 THR A 31 -9.457 0.460 8.686 1.00 0.00 O ATOM 212 CG2 THR A 31 -10.049 -1.543 9.907 1.00 0.00 C ATOM 0 H THR A 31 -7.184 -0.207 7.745 1.00 0.00 H new ATOM 0 HA THR A 31 -8.702 -2.715 8.061 1.00 0.00 H new ATOM 0 HB THR A 31 -10.732 -1.002 7.966 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.854 0.565 9.452 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.838 -0.996 10.423 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.349 -2.584 9.785 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.132 -1.496 10.494 1.00 0.00 H new ATOM 220 N VAL A 32 -10.039 -2.218 5.828 1.00 0.00 N ATOM 221 CA VAL A 32 -10.448 -2.137 4.433 1.00 0.00 C ATOM 222 C VAL A 32 -11.032 -0.768 4.131 1.00 0.00 C ATOM 223 O VAL A 32 -12.007 -0.350 4.756 1.00 0.00 O ATOM 224 CB VAL A 32 -11.511 -3.207 4.075 1.00 0.00 C ATOM 225 CG1 VAL A 32 -12.096 -2.953 2.692 1.00 0.00 C ATOM 226 CG2 VAL A 32 -10.923 -4.604 4.136 1.00 0.00 C ATOM 0 H VAL A 32 -10.636 -2.804 6.412 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.554 -2.313 3.835 1.00 0.00 H new ATOM 0 HB VAL A 32 -12.310 -3.133 4.813 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.839 -3.718 2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.568 -1.971 2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.300 -2.989 1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.691 -5.334 3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.098 -4.683 3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.557 -4.801 5.144 1.00 0.00 H new ATOM 236 N THR A 33 -10.436 -0.072 3.185 1.00 0.00 N ATOM 237 CA THR A 33 -10.999 1.186 2.750 1.00 0.00 C ATOM 238 C THR A 33 -11.267 1.165 1.259 1.00 0.00 C ATOM 239 O THR A 33 -10.423 0.734 0.471 1.00 0.00 O ATOM 240 CB THR A 33 -10.077 2.371 3.072 1.00 0.00 C ATOM 241 OG1 THR A 33 -8.761 2.119 2.564 1.00 0.00 O ATOM 242 CG2 THR A 33 -10.011 2.627 4.570 1.00 0.00 C ATOM 0 H THR A 33 -9.577 -0.351 2.711 1.00 0.00 H new ATOM 0 HA THR A 33 -11.934 1.316 3.295 1.00 0.00 H new ATOM 0 HB THR A 33 -10.489 3.259 2.593 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.826 1.669 1.696 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.351 3.472 4.766 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.009 2.852 4.945 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.626 1.741 5.074 1.00 0.00 H new ATOM 250 N THR A 34 -12.453 1.600 0.882 1.00 0.00 N ATOM 251 CA THR A 34 -12.752 1.812 -0.516 1.00 0.00 C ATOM 252 C THR A 34 -12.087 3.107 -0.965 1.00 0.00 C ATOM 253 O THR A 34 -12.426 4.194 -0.496 1.00 0.00 O ATOM 254 CB THR A 34 -14.277 1.857 -0.767 1.00 0.00 C ATOM 255 OG1 THR A 34 -14.562 2.372 -2.073 1.00 0.00 O ATOM 256 CG2 THR A 34 -14.979 2.692 0.295 1.00 0.00 C ATOM 0 H THR A 34 -13.219 1.812 1.521 1.00 0.00 H new ATOM 0 HA THR A 34 -12.361 0.977 -1.098 1.00 0.00 H new ATOM 0 HB THR A 34 -14.656 0.837 -0.707 1.00 0.00 H new ATOM 0 HG1 THR A 34 -15.532 2.391 -2.213 1.00 0.00 H new ATOM 0 HG21 THR A 34 -16.051 2.708 0.096 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.799 2.257 1.278 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.591 3.710 0.273 1.00 0.00 H new ATOM 264 N CYS A 35 -11.123 2.980 -1.851 1.00 0.00 N ATOM 265 CA CYS A 35 -10.274 4.096 -2.213 1.00 0.00 C ATOM 266 C CYS A 35 -10.890 4.900 -3.350 1.00 0.00 C ATOM 267 O CYS A 35 -11.887 4.483 -3.945 1.00 0.00 O ATOM 268 CB CYS A 35 -8.896 3.564 -2.604 1.00 0.00 C ATOM 269 SG CYS A 35 -8.591 1.852 -2.049 1.00 0.00 S ATOM 0 H CYS A 35 -10.906 2.110 -2.337 1.00 0.00 H new ATOM 0 HA CYS A 35 -10.173 4.766 -1.359 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -8.792 3.610 -3.688 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -8.131 4.216 -2.182 1.00 0.00 H new ATOM 274 N ALA A 36 -10.305 6.061 -3.635 1.00 0.00 N ATOM 275 CA ALA A 36 -10.820 6.916 -4.693 1.00 0.00 C ATOM 276 C ALA A 36 -10.639 6.254 -6.047 1.00 0.00 C ATOM 277 O ALA A 36 -9.895 5.283 -6.180 1.00 0.00 O ATOM 278 CB ALA A 36 -10.152 8.278 -4.648 1.00 0.00 C ATOM 0 H ALA A 36 -9.484 6.425 -3.152 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.888 7.064 -4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.549 8.905 -5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.350 8.749 -3.685 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.076 8.160 -4.780 1.00 0.00 H new ATOM 284 N GLU A 37 -11.308 6.793 -7.045 1.00 0.00 N ATOM 285 CA GLU A 37 -11.446 6.101 -8.306 1.00 0.00 C ATOM 286 C GLU A 37 -10.163 6.186 -9.144 1.00 0.00 C ATOM 287 O GLU A 37 -9.938 5.363 -10.030 1.00 0.00 O ATOM 288 CB GLU A 37 -12.678 6.657 -9.030 1.00 0.00 C ATOM 289 CG GLU A 37 -12.390 7.629 -10.155 1.00 0.00 C ATOM 290 CD GLU A 37 -12.218 6.913 -11.478 1.00 0.00 C ATOM 291 OE1 GLU A 37 -13.057 6.035 -11.786 1.00 0.00 O ATOM 292 OE2 GLU A 37 -11.239 7.186 -12.190 1.00 0.00 O ATOM 0 H GLU A 37 -11.763 7.705 -7.006 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.598 5.036 -8.133 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.249 5.821 -9.433 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.314 7.154 -8.298 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.205 8.348 -10.233 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.487 8.194 -9.926 1.00 0.00 H new ATOM 299 N GLU A 38 -9.308 7.153 -8.846 1.00 0.00 N ATOM 300 CA GLU A 38 -8.031 7.249 -9.539 1.00 0.00 C ATOM 301 C GLU A 38 -7.028 6.285 -8.903 1.00 0.00 C ATOM 302 O GLU A 38 -6.058 5.857 -9.538 1.00 0.00 O ATOM 303 CB GLU A 38 -7.509 8.682 -9.529 1.00 0.00 C ATOM 304 CG GLU A 38 -6.839 9.059 -8.240 1.00 0.00 C ATOM 305 CD GLU A 38 -7.790 9.103 -7.066 1.00 0.00 C ATOM 306 OE1 GLU A 38 -8.963 9.492 -7.256 1.00 0.00 O ATOM 307 OE2 GLU A 38 -7.370 8.728 -5.956 1.00 0.00 O ATOM 0 H GLU A 38 -9.470 7.872 -8.141 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.171 6.966 -10.582 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.802 8.810 -10.349 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.338 9.365 -9.713 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.044 8.344 -8.029 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.368 10.035 -8.355 1.00 0.00 H new ATOM 314 N GLN A 39 -7.287 5.932 -7.648 1.00 0.00 N ATOM 315 CA GLN A 39 -6.463 4.966 -6.944 1.00 0.00 C ATOM 316 C GLN A 39 -6.722 3.568 -7.478 1.00 0.00 C ATOM 317 O GLN A 39 -7.845 3.071 -7.449 1.00 0.00 O ATOM 318 CB GLN A 39 -6.732 5.032 -5.441 1.00 0.00 C ATOM 319 CG GLN A 39 -5.821 6.006 -4.718 1.00 0.00 C ATOM 320 CD GLN A 39 -6.435 6.579 -3.460 1.00 0.00 C ATOM 321 OE1 GLN A 39 -6.343 6.019 -2.379 1.00 0.00 O ATOM 322 NE2 GLN A 39 -7.063 7.709 -3.597 1.00 0.00 N ATOM 0 H GLN A 39 -8.063 6.303 -7.100 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.414 5.209 -7.113 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.770 5.322 -5.276 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.607 4.038 -5.011 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.890 5.500 -4.462 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.565 6.822 -5.393 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.122 8.152 -4.514 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.497 8.153 -2.787 1.00 0.00 H new ATOM 331 N THR A 40 -5.667 2.945 -7.961 1.00 0.00 N ATOM 332 CA THR A 40 -5.796 1.698 -8.687 1.00 0.00 C ATOM 333 C THR A 40 -4.767 0.671 -8.226 1.00 0.00 C ATOM 334 O THR A 40 -4.659 -0.415 -8.795 1.00 0.00 O ATOM 335 CB THR A 40 -5.639 1.962 -10.192 1.00 0.00 C ATOM 336 OG1 THR A 40 -4.871 3.166 -10.386 1.00 0.00 O ATOM 337 CG2 THR A 40 -6.994 2.103 -10.867 1.00 0.00 C ATOM 0 H THR A 40 -4.709 3.282 -7.864 1.00 0.00 H new ATOM 0 HA THR A 40 -6.785 1.287 -8.485 1.00 0.00 H new ATOM 0 HB THR A 40 -5.123 1.114 -10.642 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.430 3.946 -10.188 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.853 2.289 -11.932 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.565 1.184 -10.732 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.537 2.937 -10.422 1.00 0.00 H new ATOM 345 N ARG A 41 -4.007 1.025 -7.200 1.00 0.00 N ATOM 346 CA ARG A 41 -3.059 0.090 -6.616 1.00 0.00 C ATOM 347 C ARG A 41 -3.088 0.195 -5.107 1.00 0.00 C ATOM 348 O ARG A 41 -3.783 1.033 -4.531 1.00 0.00 O ATOM 349 CB ARG A 41 -1.621 0.337 -7.094 1.00 0.00 C ATOM 350 CG ARG A 41 -1.386 0.031 -8.556 1.00 0.00 C ATOM 351 CD ARG A 41 -1.612 -1.431 -8.893 1.00 0.00 C ATOM 352 NE ARG A 41 -0.389 -2.219 -8.734 1.00 0.00 N ATOM 353 CZ ARG A 41 0.102 -3.025 -9.675 1.00 0.00 C ATOM 354 NH1 ARG A 41 -0.540 -3.166 -10.831 1.00 0.00 N ATOM 355 NH2 ARG A 41 1.231 -3.687 -9.460 1.00 0.00 N ATOM 0 H ARG A 41 -4.028 1.944 -6.759 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.362 -0.906 -6.940 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.364 1.380 -6.908 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.943 -0.271 -6.495 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.050 0.646 -9.163 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.365 0.307 -8.821 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.392 -1.836 -8.249 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.969 -1.517 -9.919 1.00 0.00 H new ATOM 0 HE ARG A 41 0.117 -2.147 -7.851 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.408 -2.657 -10.998 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.164 -3.783 -11.551 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.724 -3.580 -8.574 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.606 -4.304 -10.181 1.00 0.00 H new ATOM 369 N CYS A 42 -2.287 -0.634 -4.492 1.00 0.00 N ATOM 370 CA CYS A 42 -2.207 -0.663 -3.040 1.00 0.00 C ATOM 371 C CYS A 42 -0.747 -0.652 -2.624 1.00 0.00 C ATOM 372 O CYS A 42 0.056 -1.413 -3.159 1.00 0.00 O ATOM 373 CB CYS A 42 -2.887 -1.915 -2.467 1.00 0.00 C ATOM 374 SG CYS A 42 -4.505 -2.319 -3.209 1.00 0.00 S ATOM 0 H CYS A 42 -1.678 -1.301 -4.966 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.723 0.214 -2.649 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -2.220 -2.766 -2.601 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -3.020 -1.779 -1.394 1.00 0.00 H new ATOM 379 N LEU A 43 -0.397 0.215 -1.692 1.00 0.00 N ATOM 380 CA LEU A 43 0.974 0.294 -1.220 1.00 0.00 C ATOM 381 C LEU A 43 1.170 -0.612 -0.012 1.00 0.00 C ATOM 382 O LEU A 43 0.371 -0.588 0.928 1.00 0.00 O ATOM 383 CB LEU A 43 1.338 1.730 -0.833 1.00 0.00 C ATOM 384 CG LEU A 43 2.700 2.233 -1.331 1.00 0.00 C ATOM 385 CD1 LEU A 43 3.090 3.514 -0.617 1.00 0.00 C ATOM 386 CD2 LEU A 43 3.783 1.180 -1.163 1.00 0.00 C ATOM 0 H LEU A 43 -1.039 0.872 -1.248 1.00 0.00 H new ATOM 0 HA LEU A 43 1.625 -0.031 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.564 2.396 -1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.318 1.809 0.254 1.00 0.00 H new ATOM 0 HG LEU A 43 2.603 2.441 -2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.058 3.855 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.339 4.281 -0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.153 3.328 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.732 1.573 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.878 0.921 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.517 0.290 -1.733 1.00 0.00 H new ATOM 398 N PHE A 44 2.212 -1.420 -0.067 1.00 0.00 N ATOM 399 CA PHE A 44 2.654 -2.194 1.077 1.00 0.00 C ATOM 400 C PHE A 44 4.140 -1.962 1.296 1.00 0.00 C ATOM 401 O PHE A 44 4.973 -2.507 0.572 1.00 0.00 O ATOM 402 CB PHE A 44 2.382 -3.691 0.879 1.00 0.00 C ATOM 403 CG PHE A 44 3.028 -4.558 1.928 1.00 0.00 C ATOM 404 CD1 PHE A 44 2.575 -4.549 3.238 1.00 0.00 C ATOM 405 CD2 PHE A 44 4.106 -5.364 1.603 1.00 0.00 C ATOM 406 CE1 PHE A 44 3.186 -5.334 4.201 1.00 0.00 C ATOM 407 CE2 PHE A 44 4.718 -6.152 2.559 1.00 0.00 C ATOM 408 CZ PHE A 44 4.261 -6.134 3.861 1.00 0.00 C ATOM 0 H PHE A 44 2.776 -1.558 -0.906 1.00 0.00 H new ATOM 0 HA PHE A 44 2.093 -1.867 1.952 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.306 -3.862 0.889 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.744 -3.992 -0.104 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.737 -3.924 3.510 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.474 -5.377 0.588 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.823 -5.321 5.218 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.553 -6.781 2.288 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.742 -6.743 4.612 1.00 0.00 H new ATOM 418 N VAL A 45 4.475 -1.116 2.255 1.00 0.00 N ATOM 419 CA VAL A 45 5.866 -0.920 2.610 1.00 0.00 C ATOM 420 C VAL A 45 6.184 -1.740 3.851 1.00 0.00 C ATOM 421 O VAL A 45 5.449 -1.695 4.836 1.00 0.00 O ATOM 422 CB VAL A 45 6.202 0.568 2.860 1.00 0.00 C ATOM 423 CG1 VAL A 45 7.706 0.765 2.990 1.00 0.00 C ATOM 424 CG2 VAL A 45 5.637 1.445 1.750 1.00 0.00 C ATOM 0 H VAL A 45 3.811 -0.561 2.795 1.00 0.00 H new ATOM 0 HA VAL A 45 6.478 -1.250 1.770 1.00 0.00 H new ATOM 0 HB VAL A 45 5.736 0.868 3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.921 1.819 3.166 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.079 0.174 3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.196 0.443 2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.886 2.488 1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.066 1.144 0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.554 1.332 1.713 1.00 0.00 H new ATOM 434 N GLN A 46 7.255 -2.505 3.783 1.00 0.00 N ATOM 435 CA GLN A 46 7.659 -3.364 4.882 1.00 0.00 C ATOM 436 C GLN A 46 8.770 -2.694 5.696 1.00 0.00 C ATOM 437 O GLN A 46 9.853 -2.420 5.184 1.00 0.00 O ATOM 438 CB GLN A 46 8.099 -4.722 4.307 1.00 0.00 C ATOM 439 CG GLN A 46 9.111 -5.489 5.148 1.00 0.00 C ATOM 440 CD GLN A 46 8.521 -6.160 6.383 1.00 0.00 C ATOM 441 OE1 GLN A 46 7.422 -5.630 6.903 1.00 0.00 O flip ATOM 442 NE2 GLN A 46 9.042 -7.169 6.854 1.00 0.00 N flip ATOM 0 H GLN A 46 7.868 -2.550 2.969 1.00 0.00 H new ATOM 0 HA GLN A 46 6.825 -3.531 5.564 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.215 -5.345 4.175 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.524 -4.558 3.317 1.00 0.00 H new ATOM 0 HG2 GLN A 46 9.581 -6.250 4.525 1.00 0.00 H new ATOM 0 HG3 GLN A 46 9.898 -4.804 5.462 1.00 0.00 H new ATOM 0 HE21 GLN A 46 9.887 -7.552 6.430 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.629 -7.624 7.668 1.00 0.00 H new ATOM 451 N LEU A 47 8.479 -2.408 6.959 1.00 0.00 N ATOM 452 CA LEU A 47 9.423 -1.711 7.824 1.00 0.00 C ATOM 453 C LEU A 47 9.853 -2.636 8.953 1.00 0.00 C ATOM 454 O LEU A 47 9.132 -3.569 9.298 1.00 0.00 O ATOM 455 CB LEU A 47 8.794 -0.445 8.442 1.00 0.00 C ATOM 456 CG LEU A 47 8.273 0.633 7.482 1.00 0.00 C ATOM 457 CD1 LEU A 47 9.364 1.106 6.538 1.00 0.00 C ATOM 458 CD2 LEU A 47 7.065 0.153 6.704 1.00 0.00 C ATOM 0 H LEU A 47 7.595 -2.648 7.408 1.00 0.00 H new ATOM 0 HA LEU A 47 10.279 -1.417 7.216 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.965 -0.758 9.077 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.537 0.016 9.092 1.00 0.00 H new ATOM 0 HG LEU A 47 7.961 1.480 8.092 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.963 1.869 5.871 1.00 0.00 H new ATOM 0 HD12 LEU A 47 10.188 1.525 7.115 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.726 0.263 5.949 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.725 0.944 6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.335 -0.726 6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.264 -0.105 7.397 1.00 0.00 H new ATOM 470 N PRO A 48 11.023 -2.387 9.561 1.00 0.00 N ATOM 471 CA PRO A 48 11.495 -3.149 10.722 1.00 0.00 C ATOM 472 C PRO A 48 10.764 -2.761 12.011 1.00 0.00 C ATOM 473 O PRO A 48 11.241 -3.028 13.113 1.00 0.00 O ATOM 474 CB PRO A 48 12.986 -2.783 10.825 1.00 0.00 C ATOM 475 CG PRO A 48 13.296 -1.986 9.599 1.00 0.00 C ATOM 476 CD PRO A 48 12.001 -1.373 9.157 1.00 0.00 C ATOM 0 HA PRO A 48 11.315 -4.217 10.598 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.185 -2.205 11.728 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.606 -3.678 10.876 1.00 0.00 H new ATOM 0 HG2 PRO A 48 14.038 -1.216 9.813 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.712 -2.621 8.817 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.818 -0.415 9.643 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.981 -1.194 8.082 1.00 0.00 H new ATOM 484 N TYR A 49 9.602 -2.133 11.862 1.00 0.00 N ATOM 485 CA TYR A 49 8.831 -1.689 13.022 1.00 0.00 C ATOM 486 C TYR A 49 7.361 -2.018 12.809 1.00 0.00 C ATOM 487 O TYR A 49 6.728 -2.684 13.623 1.00 0.00 O ATOM 488 CB TYR A 49 8.985 -0.176 13.234 1.00 0.00 C ATOM 489 CG TYR A 49 10.416 0.307 13.255 1.00 0.00 C ATOM 490 CD1 TYR A 49 11.183 0.220 14.408 1.00 0.00 C ATOM 491 CD2 TYR A 49 10.998 0.855 12.118 1.00 0.00 C ATOM 492 CE1 TYR A 49 12.492 0.664 14.428 1.00 0.00 C ATOM 493 CE2 TYR A 49 12.305 1.299 12.130 1.00 0.00 C ATOM 494 CZ TYR A 49 13.048 1.203 13.285 1.00 0.00 C ATOM 495 OH TYR A 49 14.349 1.646 13.301 1.00 0.00 O ATOM 0 H TYR A 49 9.175 -1.921 10.960 1.00 0.00 H new ATOM 0 HA TYR A 49 9.207 -2.206 13.905 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.449 0.346 12.441 1.00 0.00 H new ATOM 0 HB3 TYR A 49 8.508 0.097 14.175 1.00 0.00 H new ATOM 0 HD1 TYR A 49 10.751 -0.201 15.304 1.00 0.00 H new ATOM 0 HD2 TYR A 49 10.418 0.935 11.210 1.00 0.00 H new ATOM 0 HE1 TYR A 49 13.077 0.590 15.333 1.00 0.00 H new ATOM 0 HE2 TYR A 49 12.743 1.720 11.237 1.00 0.00 H new ATOM 0 HH TYR A 49 14.586 1.995 12.417 1.00 0.00 H new ATOM 505 N SER A 50 6.833 -1.524 11.701 1.00 0.00 N ATOM 506 CA SER A 50 5.465 -1.795 11.306 1.00 0.00 C ATOM 507 C SER A 50 5.401 -1.809 9.787 1.00 0.00 C ATOM 508 O SER A 50 6.431 -1.951 9.134 1.00 0.00 O ATOM 509 CB SER A 50 4.523 -0.737 11.886 1.00 0.00 C ATOM 510 OG SER A 50 4.948 0.573 11.544 1.00 0.00 O ATOM 0 H SER A 50 7.342 -0.924 11.052 1.00 0.00 H new ATOM 0 HA SER A 50 5.146 -2.763 11.693 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.512 -0.903 11.513 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.483 -0.837 12.971 1.00 0.00 H new ATOM 0 HG SER A 50 4.327 1.228 11.926 1.00 0.00 H new ATOM 516 N GLU A 51 4.217 -1.688 9.217 1.00 0.00 N ATOM 517 CA GLU A 51 4.148 -1.655 7.770 1.00 0.00 C ATOM 518 C GLU A 51 3.290 -0.489 7.293 1.00 0.00 C ATOM 519 O GLU A 51 2.328 -0.094 7.961 1.00 0.00 O ATOM 520 CB GLU A 51 3.574 -2.972 7.223 1.00 0.00 C ATOM 521 CG GLU A 51 4.033 -4.223 7.967 1.00 0.00 C ATOM 522 CD GLU A 51 3.101 -4.608 9.110 1.00 0.00 C ATOM 523 OE1 GLU A 51 2.914 -3.794 10.041 1.00 0.00 O ATOM 524 OE2 GLU A 51 2.530 -5.719 9.063 1.00 0.00 O ATOM 0 H GLU A 51 3.326 -1.614 9.708 1.00 0.00 H new ATOM 0 HA GLU A 51 5.163 -1.524 7.393 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.486 -2.922 7.260 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.853 -3.067 6.174 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.100 -5.053 7.264 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.035 -4.058 8.362 1.00 0.00 H new ATOM 531 N ILE A 52 3.649 0.064 6.142 1.00 0.00 N ATOM 532 CA ILE A 52 2.856 1.126 5.545 1.00 0.00 C ATOM 533 C ILE A 52 1.871 0.541 4.560 1.00 0.00 C ATOM 534 O ILE A 52 2.240 -0.279 3.720 1.00 0.00 O ATOM 535 CB ILE A 52 3.711 2.157 4.808 1.00 0.00 C ATOM 536 CG1 ILE A 52 4.732 2.760 5.751 1.00 0.00 C ATOM 537 CG2 ILE A 52 2.839 3.250 4.206 1.00 0.00 C ATOM 538 CD1 ILE A 52 4.135 3.431 6.968 1.00 0.00 C ATOM 0 H ILE A 52 4.476 -0.203 5.609 1.00 0.00 H new ATOM 0 HA ILE A 52 2.343 1.629 6.365 1.00 0.00 H new ATOM 0 HB ILE A 52 4.235 1.652 3.997 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.413 1.975 6.081 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.328 3.490 5.204 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.468 3.973 3.686 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.136 2.807 3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.287 3.754 5.000 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.934 3.835 7.589 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.477 4.240 6.651 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.563 2.702 7.542 1.00 0.00 H new ATOM 550 N GLN A 53 0.629 0.961 4.664 1.00 0.00 N ATOM 551 CA GLN A 53 -0.388 0.446 3.770 1.00 0.00 C ATOM 552 C GLN A 53 -1.340 1.569 3.387 1.00 0.00 C ATOM 553 O GLN A 53 -1.825 2.300 4.252 1.00 0.00 O ATOM 554 CB GLN A 53 -1.154 -0.703 4.437 1.00 0.00 C ATOM 555 CG GLN A 53 -0.254 -1.774 5.039 1.00 0.00 C ATOM 556 CD GLN A 53 -1.022 -2.952 5.601 1.00 0.00 C ATOM 557 OE1 GLN A 53 -0.622 -3.549 6.597 1.00 0.00 O ATOM 558 NE2 GLN A 53 -2.116 -3.311 4.955 1.00 0.00 N ATOM 0 H GLN A 53 0.301 1.646 5.346 1.00 0.00 H new ATOM 0 HA GLN A 53 0.088 0.058 2.869 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.792 -0.295 5.221 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.811 -1.166 3.700 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.437 -2.130 4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.348 -1.330 5.831 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.416 -2.790 4.131 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.661 -4.110 5.280 1.00 0.00 H new ATOM 567 N GLU A 54 -1.596 1.707 2.094 1.00 0.00 N ATOM 568 CA GLU A 54 -2.438 2.788 1.596 1.00 0.00 C ATOM 569 C GLU A 54 -2.917 2.506 0.183 1.00 0.00 C ATOM 570 O GLU A 54 -2.275 1.770 -0.567 1.00 0.00 O ATOM 571 CB GLU A 54 -1.674 4.120 1.602 1.00 0.00 C ATOM 572 CG GLU A 54 -0.189 3.985 1.308 1.00 0.00 C ATOM 573 CD GLU A 54 0.607 5.134 1.884 1.00 0.00 C ATOM 574 OE1 GLU A 54 -0.020 6.077 2.412 1.00 0.00 O ATOM 575 OE2 GLU A 54 1.840 5.113 1.782 1.00 0.00 O ATOM 0 H GLU A 54 -1.234 1.086 1.371 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.300 2.856 2.260 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.121 4.786 0.864 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.799 4.594 2.576 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.179 3.046 1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.035 3.941 0.230 1.00 0.00 H new ATOM 582 N CYS A 55 -4.052 3.084 -0.165 1.00 0.00 N ATOM 583 CA CYS A 55 -4.501 3.082 -1.547 1.00 0.00 C ATOM 584 C CYS A 55 -3.806 4.195 -2.300 1.00 0.00 C ATOM 585 O CYS A 55 -3.836 5.350 -1.874 1.00 0.00 O ATOM 586 CB CYS A 55 -6.011 3.301 -1.633 1.00 0.00 C ATOM 587 SG CYS A 55 -7.016 2.040 -0.800 1.00 0.00 S ATOM 0 H CYS A 55 -4.678 3.559 0.486 1.00 0.00 H new ATOM 0 HA CYS A 55 -4.259 2.113 -1.984 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -6.247 4.275 -1.203 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -6.299 3.338 -2.684 1.00 0.00 H new ATOM 592 N LYS A 56 -3.154 3.846 -3.390 1.00 0.00 N ATOM 593 CA LYS A 56 -2.563 4.850 -4.258 1.00 0.00 C ATOM 594 C LYS A 56 -2.940 4.530 -5.690 1.00 0.00 C ATOM 595 O LYS A 56 -3.646 3.557 -5.949 1.00 0.00 O ATOM 596 CB LYS A 56 -1.028 4.884 -4.124 1.00 0.00 C ATOM 597 CG LYS A 56 -0.485 5.961 -3.189 1.00 0.00 C ATOM 598 CD LYS A 56 -1.038 5.817 -1.787 1.00 0.00 C ATOM 599 CE LYS A 56 -0.406 6.794 -0.811 1.00 0.00 C ATOM 600 NZ LYS A 56 -1.265 7.036 0.378 1.00 0.00 N ATOM 0 H LYS A 56 -3.019 2.883 -3.697 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.942 5.830 -3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.688 3.911 -3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.595 5.032 -5.114 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.603 5.902 -3.159 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.740 6.946 -3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.116 5.974 -1.807 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.871 4.799 -1.436 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.560 6.407 -0.486 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.216 7.740 -1.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.561 8.033 0.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.106 6.426 0.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.730 6.819 1.243 1.00 0.00 H new ATOM 614 N THR A 57 -2.473 5.332 -6.617 1.00 0.00 N ATOM 615 CA THR A 57 -2.753 5.044 -8.011 1.00 0.00 C ATOM 616 C THR A 57 -1.699 4.078 -8.532 1.00 0.00 C ATOM 617 O THR A 57 -0.708 3.826 -7.844 1.00 0.00 O ATOM 618 CB THR A 57 -2.770 6.321 -8.875 1.00 0.00 C ATOM 619 OG1 THR A 57 -1.436 6.789 -9.108 1.00 0.00 O ATOM 620 CG2 THR A 57 -3.573 7.421 -8.198 1.00 0.00 C ATOM 0 H THR A 57 -1.913 6.167 -6.444 1.00 0.00 H new ATOM 0 HA THR A 57 -3.746 4.599 -8.077 1.00 0.00 H new ATOM 0 HB THR A 57 -3.238 6.071 -9.827 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.465 7.599 -9.659 1.00 0.00 H new ATOM 0 HG21 THR A 57 -3.571 8.312 -8.826 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.599 7.084 -8.050 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.125 7.657 -7.232 1.00 0.00 H new ATOM 628 N VAL A 58 -1.907 3.521 -9.719 1.00 0.00 N ATOM 629 CA VAL A 58 -0.911 2.608 -10.271 1.00 0.00 C ATOM 630 C VAL A 58 0.419 3.335 -10.462 1.00 0.00 C ATOM 631 O VAL A 58 1.464 2.864 -10.019 1.00 0.00 O ATOM 632 CB VAL A 58 -1.340 2.017 -11.638 1.00 0.00 C ATOM 633 CG1 VAL A 58 -0.268 1.080 -12.178 1.00 0.00 C ATOM 634 CG2 VAL A 58 -2.671 1.294 -11.535 1.00 0.00 C ATOM 0 H VAL A 58 -2.728 3.677 -10.303 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.810 1.791 -9.557 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.462 2.847 -12.334 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.588 0.676 -13.138 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.664 1.630 -12.309 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.111 0.263 -11.474 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.943 0.891 -12.511 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.587 0.479 -10.817 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.440 1.992 -11.204 1.00 0.00 H new ATOM 644 N GLN A 59 0.357 4.494 -11.114 1.00 0.00 N ATOM 645 CA GLN A 59 1.550 5.298 -11.357 1.00 0.00 C ATOM 646 C GLN A 59 2.256 5.629 -10.050 1.00 0.00 C ATOM 647 O GLN A 59 3.438 5.327 -9.883 1.00 0.00 O ATOM 648 CB GLN A 59 1.179 6.588 -12.100 1.00 0.00 C ATOM 649 CG GLN A 59 2.115 7.752 -11.804 1.00 0.00 C ATOM 650 CD GLN A 59 1.825 8.979 -12.641 1.00 0.00 C ATOM 651 OE1 GLN A 59 0.701 9.186 -13.100 1.00 0.00 O ATOM 652 NE2 GLN A 59 2.829 9.825 -12.804 1.00 0.00 N ATOM 0 H GLN A 59 -0.505 4.896 -11.482 1.00 0.00 H new ATOM 0 HA GLN A 59 2.233 4.717 -11.977 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.182 6.394 -13.173 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.162 6.873 -11.831 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.037 8.013 -10.749 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.143 7.436 -11.979 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.744 9.613 -12.406 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.688 10.689 -13.327 1.00 0.00 H new ATOM 661 N GLN A 60 1.511 6.213 -9.117 1.00 0.00 N ATOM 662 CA GLN A 60 2.076 6.626 -7.845 1.00 0.00 C ATOM 663 C GLN A 60 2.678 5.445 -7.110 1.00 0.00 C ATOM 664 O GLN A 60 3.678 5.600 -6.458 1.00 0.00 O ATOM 665 CB GLN A 60 1.010 7.279 -6.960 1.00 0.00 C ATOM 666 CG GLN A 60 0.473 8.614 -7.466 1.00 0.00 C ATOM 667 CD GLN A 60 1.317 9.810 -7.051 1.00 0.00 C ATOM 668 OE1 GLN A 60 2.630 9.664 -7.059 1.00 0.00 O flip ATOM 669 NE2 GLN A 60 0.780 10.882 -6.775 1.00 0.00 N flip ATOM 0 H GLN A 60 0.516 6.409 -9.221 1.00 0.00 H new ATOM 0 HA GLN A 60 2.860 7.353 -8.058 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.175 6.587 -6.854 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.429 7.428 -5.965 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.413 8.583 -8.554 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.543 8.751 -7.095 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.237 10.959 -6.779 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.352 11.694 -6.543 1.00 0.00 H new ATOM 678 N CYS A 61 2.081 4.263 -7.232 1.00 0.00 N ATOM 679 CA CYS A 61 2.563 3.105 -6.476 1.00 0.00 C ATOM 680 C CYS A 61 3.937 2.661 -6.970 1.00 0.00 C ATOM 681 O CYS A 61 4.753 2.196 -6.184 1.00 0.00 O ATOM 682 CB CYS A 61 1.566 1.936 -6.562 1.00 0.00 C ATOM 683 SG CYS A 61 1.881 0.748 -7.919 1.00 0.00 S ATOM 0 H CYS A 61 1.278 4.080 -7.834 1.00 0.00 H new ATOM 0 HA CYS A 61 2.652 3.408 -5.433 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.581 1.395 -5.616 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.562 2.343 -6.681 1.00 0.00 H new ATOM 688 N ALA A 62 4.189 2.796 -8.267 1.00 0.00 N ATOM 689 CA ALA A 62 5.500 2.471 -8.813 1.00 0.00 C ATOM 690 C ALA A 62 6.505 3.540 -8.401 1.00 0.00 C ATOM 691 O ALA A 62 7.667 3.251 -8.118 1.00 0.00 O ATOM 692 CB ALA A 62 5.430 2.349 -10.328 1.00 0.00 C ATOM 0 H ALA A 62 3.510 3.125 -8.954 1.00 0.00 H new ATOM 0 HA ALA A 62 5.826 1.510 -8.414 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.418 2.106 -10.719 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.729 1.559 -10.597 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.093 3.294 -10.754 1.00 0.00 H new ATOM 698 N GLU A 63 6.019 4.768 -8.350 1.00 0.00 N ATOM 699 CA GLU A 63 6.815 5.918 -7.946 1.00 0.00 C ATOM 700 C GLU A 63 7.224 5.811 -6.471 1.00 0.00 C ATOM 701 O GLU A 63 8.405 5.896 -6.129 1.00 0.00 O ATOM 702 CB GLU A 63 5.988 7.181 -8.211 1.00 0.00 C ATOM 703 CG GLU A 63 5.834 7.485 -9.695 1.00 0.00 C ATOM 704 CD GLU A 63 4.836 8.588 -9.971 1.00 0.00 C ATOM 705 OE1 GLU A 63 3.813 8.648 -9.262 1.00 0.00 O ATOM 706 OE2 GLU A 63 5.057 9.375 -10.918 1.00 0.00 O ATOM 0 H GLU A 63 5.055 4.999 -8.589 1.00 0.00 H new ATOM 0 HA GLU A 63 7.739 5.958 -8.522 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.001 7.064 -7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.462 8.030 -7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.803 7.769 -10.105 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.520 6.580 -10.215 1.00 0.00 H new ATOM 713 N VAL A 64 6.237 5.585 -5.617 1.00 0.00 N ATOM 714 CA VAL A 64 6.435 5.431 -4.211 1.00 0.00 C ATOM 715 C VAL A 64 7.182 4.137 -3.895 1.00 0.00 C ATOM 716 O VAL A 64 7.878 4.032 -2.888 1.00 0.00 O ATOM 717 CB VAL A 64 5.070 5.445 -3.520 1.00 0.00 C ATOM 718 CG1 VAL A 64 4.332 6.752 -3.766 1.00 0.00 C ATOM 719 CG2 VAL A 64 4.253 4.270 -3.959 1.00 0.00 C ATOM 0 H VAL A 64 5.261 5.504 -5.903 1.00 0.00 H new ATOM 0 HA VAL A 64 7.046 6.255 -3.843 1.00 0.00 H new ATOM 0 HB VAL A 64 5.235 5.368 -2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.367 6.726 -3.260 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.923 7.582 -3.378 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.177 6.886 -4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.285 4.293 -3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.106 4.312 -5.038 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.773 3.348 -3.700 1.00 0.00 H new ATOM 729 N LEU A 65 7.015 3.140 -4.751 1.00 0.00 N ATOM 730 CA LEU A 65 7.743 1.900 -4.591 1.00 0.00 C ATOM 731 C LEU A 65 9.236 2.174 -4.602 1.00 0.00 C ATOM 732 O LEU A 65 9.951 1.777 -3.687 1.00 0.00 O ATOM 733 CB LEU A 65 7.379 0.926 -5.714 1.00 0.00 C ATOM 734 CG LEU A 65 8.172 -0.379 -5.742 1.00 0.00 C ATOM 735 CD1 LEU A 65 8.031 -1.115 -4.430 1.00 0.00 C ATOM 736 CD2 LEU A 65 7.703 -1.264 -6.878 1.00 0.00 C ATOM 0 H LEU A 65 6.387 3.168 -5.554 1.00 0.00 H new ATOM 0 HA LEU A 65 7.471 1.450 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.319 0.684 -5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.516 1.434 -6.669 1.00 0.00 H new ATOM 0 HG LEU A 65 9.222 -0.132 -5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.603 -2.042 -4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.408 -0.490 -3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.980 -1.344 -4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.280 -2.189 -6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.646 -1.496 -6.746 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.845 -0.745 -7.826 1.00 0.00 H new ATOM 748 N GLU A 66 9.689 2.901 -5.612 1.00 0.00 N ATOM 749 CA GLU A 66 11.110 3.136 -5.788 1.00 0.00 C ATOM 750 C GLU A 66 11.654 4.134 -4.784 1.00 0.00 C ATOM 751 O GLU A 66 12.797 4.003 -4.335 1.00 0.00 O ATOM 752 CB GLU A 66 11.414 3.580 -7.224 1.00 0.00 C ATOM 753 CG GLU A 66 12.900 3.733 -7.518 1.00 0.00 C ATOM 754 CD GLU A 66 13.174 4.192 -8.935 1.00 0.00 C ATOM 755 OE1 GLU A 66 13.193 5.418 -9.170 1.00 0.00 O ATOM 756 OE2 GLU A 66 13.380 3.325 -9.810 1.00 0.00 O ATOM 0 H GLU A 66 9.095 3.336 -6.318 1.00 0.00 H new ATOM 0 HA GLU A 66 11.619 2.190 -5.604 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.989 2.854 -7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.916 4.531 -7.414 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.332 4.449 -6.819 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.400 2.779 -7.347 1.00 0.00 H new ATOM 763 N GLU A 67 10.846 5.111 -4.410 1.00 0.00 N ATOM 764 CA GLU A 67 11.303 6.129 -3.493 1.00 0.00 C ATOM 765 C GLU A 67 11.721 5.496 -2.160 1.00 0.00 C ATOM 766 O GLU A 67 12.777 5.817 -1.616 1.00 0.00 O ATOM 767 CB GLU A 67 10.210 7.163 -3.294 1.00 0.00 C ATOM 768 CG GLU A 67 9.041 6.587 -2.595 1.00 0.00 C ATOM 769 CD GLU A 67 7.975 7.616 -2.271 1.00 0.00 C ATOM 770 OE1 GLU A 67 7.321 8.113 -3.210 1.00 0.00 O ATOM 771 OE2 GLU A 67 7.799 7.926 -1.075 1.00 0.00 O ATOM 0 H GLU A 67 9.882 5.217 -4.725 1.00 0.00 H new ATOM 0 HA GLU A 67 12.177 6.628 -3.911 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.602 8.002 -2.719 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.899 7.557 -4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.605 5.803 -3.214 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.374 6.115 -1.671 1.00 0.00 H new ATOM 778 N VAL A 68 10.902 4.572 -1.653 1.00 0.00 N ATOM 779 CA VAL A 68 11.212 3.914 -0.392 1.00 0.00 C ATOM 780 C VAL A 68 12.230 2.786 -0.571 1.00 0.00 C ATOM 781 O VAL A 68 12.996 2.492 0.350 1.00 0.00 O ATOM 782 CB VAL A 68 9.950 3.380 0.322 1.00 0.00 C ATOM 783 CG1 VAL A 68 9.055 4.530 0.760 1.00 0.00 C ATOM 784 CG2 VAL A 68 9.180 2.421 -0.566 1.00 0.00 C ATOM 0 H VAL A 68 10.033 4.269 -2.092 1.00 0.00 H new ATOM 0 HA VAL A 68 11.655 4.682 0.242 1.00 0.00 H new ATOM 0 HB VAL A 68 10.275 2.833 1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.172 4.133 1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.602 5.176 1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.749 5.106 -0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.298 2.063 -0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.872 2.936 -1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.816 1.575 -0.825 1.00 0.00 H new ATOM 794 N THR A 69 12.264 2.161 -1.751 1.00 0.00 N ATOM 795 CA THR A 69 13.213 1.086 -1.975 1.00 0.00 C ATOM 796 C THR A 69 14.616 1.637 -2.183 1.00 0.00 C ATOM 797 O THR A 69 15.605 0.940 -1.963 1.00 0.00 O ATOM 798 CB THR A 69 12.816 0.193 -3.165 1.00 0.00 C ATOM 799 OG1 THR A 69 12.553 0.986 -4.325 1.00 0.00 O ATOM 800 CG2 THR A 69 11.600 -0.656 -2.827 1.00 0.00 C ATOM 0 H THR A 69 11.659 2.379 -2.543 1.00 0.00 H new ATOM 0 HA THR A 69 13.201 0.466 -1.079 1.00 0.00 H new ATOM 0 HB THR A 69 13.653 -0.472 -3.377 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.622 1.291 -4.309 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.340 -1.277 -3.684 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.827 -1.293 -1.972 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.760 -0.007 -2.582 1.00 0.00 H new ATOM 808 N ALA A 70 14.699 2.903 -2.588 1.00 0.00 N ATOM 809 CA ALA A 70 15.988 3.564 -2.741 1.00 0.00 C ATOM 810 C ALA A 70 16.598 3.855 -1.375 1.00 0.00 C ATOM 811 O ALA A 70 17.798 4.091 -1.251 1.00 0.00 O ATOM 812 CB ALA A 70 15.839 4.849 -3.543 1.00 0.00 C ATOM 0 H ALA A 70 13.893 3.486 -2.814 1.00 0.00 H new ATOM 0 HA ALA A 70 16.656 2.897 -3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 70 16.813 5.328 -3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.442 4.617 -4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 70 15.156 5.523 -3.026 1.00 0.00 H new ATOM 818 N ILE A 71 15.752 3.832 -0.354 1.00 0.00 N ATOM 819 CA ILE A 71 16.193 4.032 1.019 1.00 0.00 C ATOM 820 C ILE A 71 16.640 2.698 1.610 1.00 0.00 C ATOM 821 O ILE A 71 17.361 2.649 2.606 1.00 0.00 O ATOM 822 CB ILE A 71 15.062 4.627 1.886 1.00 0.00 C ATOM 823 CG1 ILE A 71 14.380 5.779 1.143 1.00 0.00 C ATOM 824 CG2 ILE A 71 15.609 5.110 3.224 1.00 0.00 C ATOM 825 CD1 ILE A 71 13.173 6.347 1.859 1.00 0.00 C ATOM 0 H ILE A 71 14.749 3.676 -0.453 1.00 0.00 H new ATOM 0 HA ILE A 71 17.026 4.735 1.013 1.00 0.00 H new ATOM 0 HB ILE A 71 14.325 3.847 2.078 1.00 0.00 H new ATOM 0 HG12 ILE A 71 15.106 6.577 0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 71 14.073 5.430 0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 71 14.797 5.526 3.820 1.00 0.00 H new ATOM 0 HG22 ILE A 71 16.059 4.272 3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 71 16.363 5.878 3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 71 12.748 7.158 1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 71 12.426 5.564 1.991 1.00 0.00 H new ATOM 0 HD13 ILE A 71 13.475 6.729 2.834 1.00 0.00 H new ATOM 837 N GLY A 72 16.210 1.617 0.973 1.00 0.00 N ATOM 838 CA GLY A 72 16.582 0.297 1.444 1.00 0.00 C ATOM 839 C GLY A 72 15.425 -0.434 2.094 1.00 0.00 C ATOM 840 O GLY A 72 15.590 -1.541 2.602 1.00 0.00 O ATOM 0 H GLY A 72 15.615 1.629 0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.955 -0.292 0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 72 17.399 0.387 2.160 1.00 0.00 H new ATOM 844 N TYR A 73 14.251 0.180 2.073 1.00 0.00 N ATOM 845 CA TYR A 73 13.088 -0.412 2.698 1.00 0.00 C ATOM 846 C TYR A 73 12.315 -1.291 1.720 1.00 0.00 C ATOM 847 O TYR A 73 12.090 -0.909 0.570 1.00 0.00 O ATOM 848 CB TYR A 73 12.178 0.681 3.254 1.00 0.00 C ATOM 849 CG TYR A 73 12.718 1.336 4.503 1.00 0.00 C ATOM 850 CD1 TYR A 73 12.782 0.634 5.700 1.00 0.00 C ATOM 851 CD2 TYR A 73 13.172 2.646 4.485 1.00 0.00 C ATOM 852 CE1 TYR A 73 13.278 1.223 6.847 1.00 0.00 C ATOM 853 CE2 TYR A 73 13.671 3.243 5.628 1.00 0.00 C ATOM 854 CZ TYR A 73 13.723 2.526 6.805 1.00 0.00 C ATOM 855 OH TYR A 73 14.217 3.117 7.945 1.00 0.00 O ATOM 0 H TYR A 73 14.084 1.084 1.631 1.00 0.00 H new ATOM 0 HA TYR A 73 13.433 -1.045 3.516 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.029 1.443 2.489 1.00 0.00 H new ATOM 0 HB3 TYR A 73 11.200 0.252 3.472 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.438 -0.389 5.735 1.00 0.00 H new ATOM 0 HD2 TYR A 73 13.135 3.209 3.564 1.00 0.00 H new ATOM 0 HE1 TYR A 73 13.317 0.665 7.771 1.00 0.00 H new ATOM 0 HE2 TYR A 73 14.018 4.265 5.599 1.00 0.00 H new ATOM 0 HH TYR A 73 14.489 4.037 7.745 1.00 0.00 H new ATOM 865 N PRO A 74 11.928 -2.497 2.170 1.00 0.00 N ATOM 866 CA PRO A 74 11.056 -3.406 1.413 1.00 0.00 C ATOM 867 C PRO A 74 9.735 -2.747 1.032 1.00 0.00 C ATOM 868 O PRO A 74 9.069 -2.152 1.878 1.00 0.00 O ATOM 869 CB PRO A 74 10.797 -4.531 2.418 1.00 0.00 C ATOM 870 CG PRO A 74 11.997 -4.530 3.279 1.00 0.00 C ATOM 871 CD PRO A 74 12.329 -3.087 3.462 1.00 0.00 C ATOM 0 HA PRO A 74 11.507 -3.728 0.474 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.891 -4.348 2.996 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.667 -5.490 1.917 1.00 0.00 H new ATOM 0 HG2 PRO A 74 11.799 -5.015 4.235 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.821 -5.070 2.812 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.781 -2.648 4.296 1.00 0.00 H new ATOM 0 HD3 PRO A 74 13.390 -2.938 3.664 1.00 0.00 H new ATOM 879 N ALA A 75 9.352 -2.847 -0.230 1.00 0.00 N ATOM 880 CA ALA A 75 8.089 -2.253 -0.651 1.00 0.00 C ATOM 881 C ALA A 75 7.451 -3.029 -1.794 1.00 0.00 C ATOM 882 O ALA A 75 8.131 -3.757 -2.522 1.00 0.00 O ATOM 883 CB ALA A 75 8.301 -0.808 -1.058 1.00 0.00 C ATOM 0 H ALA A 75 9.879 -3.319 -0.965 1.00 0.00 H new ATOM 0 HA ALA A 75 7.407 -2.294 0.198 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.351 -0.375 -1.371 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.695 -0.246 -0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.010 -0.763 -1.885 1.00 0.00 H new ATOM 889 N LYS A 76 6.132 -2.888 -1.927 1.00 0.00 N ATOM 890 CA LYS A 76 5.390 -3.480 -3.038 1.00 0.00 C ATOM 891 C LYS A 76 4.127 -2.683 -3.310 1.00 0.00 C ATOM 892 O LYS A 76 3.612 -1.999 -2.423 1.00 0.00 O ATOM 893 CB LYS A 76 4.977 -4.933 -2.749 1.00 0.00 C ATOM 894 CG LYS A 76 5.629 -5.548 -1.519 1.00 0.00 C ATOM 895 CD LYS A 76 5.895 -7.034 -1.693 1.00 0.00 C ATOM 896 CE LYS A 76 7.001 -7.295 -2.706 1.00 0.00 C ATOM 897 NZ LYS A 76 7.356 -8.740 -2.783 1.00 0.00 N ATOM 0 H LYS A 76 5.552 -2.364 -1.272 1.00 0.00 H new ATOM 0 HA LYS A 76 6.055 -3.464 -3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.895 -4.971 -2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.221 -5.545 -3.617 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.568 -5.034 -1.312 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.985 -5.395 -0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.172 -7.469 -0.733 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.981 -7.532 -2.017 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.683 -6.947 -3.689 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.885 -6.718 -2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.349 -8.838 -3.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.224 -9.180 -1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.743 -9.212 -3.478 1.00 0.00 H new ATOM 911 N CYS A 77 3.631 -2.764 -4.532 1.00 0.00 N ATOM 912 CA CYS A 77 2.296 -2.278 -4.812 1.00 0.00 C ATOM 913 C CYS A 77 1.565 -3.262 -5.720 1.00 0.00 C ATOM 914 O CYS A 77 1.962 -3.506 -6.861 1.00 0.00 O ATOM 915 CB CYS A 77 2.304 -0.861 -5.403 1.00 0.00 C ATOM 916 SG CYS A 77 3.029 -0.697 -7.062 1.00 0.00 S ATOM 0 H CYS A 77 4.125 -3.156 -5.334 1.00 0.00 H new ATOM 0 HA CYS A 77 1.758 -2.209 -3.867 1.00 0.00 H new ATOM 0 HB2 CYS A 77 1.277 -0.497 -5.439 1.00 0.00 H new ATOM 0 HB3 CYS A 77 2.850 -0.207 -4.723 1.00 0.00 H new ATOM 921 N CYS A 78 0.508 -3.839 -5.185 1.00 0.00 N ATOM 922 CA CYS A 78 -0.256 -4.857 -5.896 1.00 0.00 C ATOM 923 C CYS A 78 -1.611 -4.309 -6.342 1.00 0.00 C ATOM 924 O CYS A 78 -1.969 -3.181 -6.004 1.00 0.00 O ATOM 925 CB CYS A 78 -0.452 -6.052 -4.970 1.00 0.00 C ATOM 926 SG CYS A 78 -0.999 -5.572 -3.303 1.00 0.00 S ATOM 0 H CYS A 78 0.153 -3.622 -4.254 1.00 0.00 H new ATOM 0 HA CYS A 78 0.290 -5.160 -6.789 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -1.187 -6.728 -5.408 1.00 0.00 H new ATOM 0 HB3 CYS A 78 0.485 -6.605 -4.895 1.00 0.00 H new ATOM 931 N CYS A 79 -2.340 -5.091 -7.135 1.00 0.00 N ATOM 932 CA CYS A 79 -3.664 -4.675 -7.582 1.00 0.00 C ATOM 933 C CYS A 79 -4.671 -5.799 -7.358 1.00 0.00 C ATOM 934 O CYS A 79 -4.736 -6.752 -8.136 1.00 0.00 O ATOM 935 CB CYS A 79 -3.628 -4.272 -9.059 1.00 0.00 C ATOM 936 SG CYS A 79 -5.212 -3.703 -9.719 1.00 0.00 S ATOM 0 H CYS A 79 -2.040 -6.004 -7.477 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.974 -3.808 -6.998 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.889 -3.481 -9.189 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.289 -5.125 -9.647 1.00 0.00 H new ATOM 0 HG CYS A 79 -5.331 -2.424 -9.520 1.00 0.00 H new ATOM 942 N GLU A 80 -5.439 -5.662 -6.287 1.00 0.00 N ATOM 943 CA GLU A 80 -6.399 -6.668 -5.839 1.00 0.00 C ATOM 944 C GLU A 80 -6.979 -6.193 -4.516 1.00 0.00 C ATOM 945 O GLU A 80 -6.290 -5.491 -3.769 1.00 0.00 O ATOM 946 CB GLU A 80 -5.710 -8.034 -5.661 1.00 0.00 C ATOM 947 CG GLU A 80 -6.494 -9.043 -4.829 1.00 0.00 C ATOM 948 CD GLU A 80 -5.600 -10.087 -4.181 1.00 0.00 C ATOM 949 OE1 GLU A 80 -4.392 -10.115 -4.490 1.00 0.00 O ATOM 950 OE2 GLU A 80 -6.101 -10.861 -3.333 1.00 0.00 O ATOM 0 H GLU A 80 -5.414 -4.834 -5.692 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.188 -6.793 -6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.525 -8.463 -6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.738 -7.876 -5.194 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.050 -8.515 -4.054 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.226 -9.541 -5.464 1.00 0.00 H new ATOM 957 N ASP A 81 -8.233 -6.533 -4.228 1.00 0.00 N ATOM 958 CA ASP A 81 -8.824 -6.117 -2.962 1.00 0.00 C ATOM 959 C ASP A 81 -7.977 -6.591 -1.806 1.00 0.00 C ATOM 960 O ASP A 81 -7.694 -7.782 -1.672 1.00 0.00 O ATOM 961 CB ASP A 81 -10.240 -6.659 -2.746 1.00 0.00 C ATOM 962 CG ASP A 81 -11.249 -6.170 -3.763 1.00 0.00 C ATOM 963 OD1 ASP A 81 -10.992 -6.298 -4.974 1.00 0.00 O ATOM 964 OD2 ASP A 81 -12.315 -5.669 -3.335 1.00 0.00 O ATOM 0 H ASP A 81 -8.844 -7.080 -4.835 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.872 -5.029 -3.006 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.209 -7.748 -2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -10.578 -6.376 -1.749 1.00 0.00 H new ATOM 969 N LEU A 82 -7.570 -5.646 -0.980 1.00 0.00 N ATOM 970 CA LEU A 82 -6.936 -5.942 0.296 1.00 0.00 C ATOM 971 C LEU A 82 -5.582 -6.617 0.084 1.00 0.00 C ATOM 972 O LEU A 82 -5.024 -7.185 1.017 1.00 0.00 O ATOM 973 CB LEU A 82 -7.827 -6.864 1.167 1.00 0.00 C ATOM 974 CG LEU A 82 -9.340 -6.549 1.251 1.00 0.00 C ATOM 975 CD1 LEU A 82 -9.661 -5.095 0.940 1.00 0.00 C ATOM 976 CD2 LEU A 82 -10.142 -7.500 0.380 1.00 0.00 C ATOM 0 H LEU A 82 -7.669 -4.649 -1.173 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.795 -4.993 0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.719 -7.882 0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.427 -6.853 2.181 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.637 -6.706 2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.737 -4.936 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.148 -4.449 1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.329 -4.857 -0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.202 -7.257 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.821 -7.402 -0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.979 -8.525 0.714 1.00 0.00 H new ATOM 988 N CYS A 83 -5.053 -6.530 -1.135 1.00 0.00 N ATOM 989 CA CYS A 83 -3.859 -7.289 -1.506 1.00 0.00 C ATOM 990 C CYS A 83 -2.643 -6.853 -0.702 1.00 0.00 C ATOM 991 O CYS A 83 -1.756 -7.660 -0.422 1.00 0.00 O ATOM 992 CB CYS A 83 -3.567 -7.133 -2.995 1.00 0.00 C ATOM 993 SG CYS A 83 -3.018 -5.464 -3.471 1.00 0.00 S ATOM 0 H CYS A 83 -5.430 -5.944 -1.880 1.00 0.00 H new ATOM 0 HA CYS A 83 -4.060 -8.337 -1.282 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -2.800 -7.852 -3.282 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.465 -7.384 -3.559 1.00 0.00 H new ATOM 998 N ASN A 84 -2.619 -5.587 -0.297 1.00 0.00 N ATOM 999 CA ASN A 84 -1.485 -5.052 0.450 1.00 0.00 C ATOM 1000 C ASN A 84 -1.519 -5.528 1.901 1.00 0.00 C ATOM 1001 O ASN A 84 -0.874 -4.953 2.774 1.00 0.00 O ATOM 1002 CB ASN A 84 -1.444 -3.521 0.382 1.00 0.00 C ATOM 1003 CG ASN A 84 -2.616 -2.839 1.064 1.00 0.00 C ATOM 1004 OD1 ASN A 84 -3.729 -3.364 1.118 1.00 0.00 O ATOM 1005 ND2 ASN A 84 -2.366 -1.647 1.579 1.00 0.00 N ATOM 0 H ASN A 84 -3.367 -4.916 -0.472 1.00 0.00 H new ATOM 0 HA ASN A 84 -0.574 -5.430 -0.014 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -0.518 -3.172 0.840 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.418 -3.215 -0.664 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.110 -1.126 2.043 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -1.429 -1.249 1.512 1.00 0.00 H new ATOM 1012 N ARG A 85 -2.289 -6.587 2.138 1.00 0.00 N ATOM 1013 CA ARG A 85 -2.306 -7.285 3.417 1.00 0.00 C ATOM 1014 C ARG A 85 -0.932 -7.899 3.671 1.00 0.00 C ATOM 1015 O ARG A 85 -0.500 -8.064 4.811 1.00 0.00 O ATOM 1016 CB ARG A 85 -3.376 -8.392 3.385 1.00 0.00 C ATOM 1017 CG ARG A 85 -3.017 -9.563 2.470 1.00 0.00 C ATOM 1018 CD ARG A 85 -4.205 -10.472 2.174 1.00 0.00 C ATOM 1019 NE ARG A 85 -5.092 -9.905 1.155 1.00 0.00 N ATOM 1020 CZ ARG A 85 -5.340 -10.480 -0.031 1.00 0.00 C ATOM 1021 NH1 ARG A 85 -4.745 -11.615 -0.367 1.00 0.00 N ATOM 1022 NH2 ARG A 85 -6.170 -9.913 -0.893 1.00 0.00 N ATOM 0 H ARG A 85 -2.921 -6.986 1.444 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.543 -6.583 4.217 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -3.530 -8.766 4.397 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.322 -7.962 3.057 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.620 -9.176 1.532 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.224 -10.150 2.934 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.843 -11.444 1.839 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.769 -10.641 3.091 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.550 -9.017 1.361 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.092 -12.059 0.279 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.940 -12.045 -1.271 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -6.627 -9.032 -0.657 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.353 -10.357 -1.793 1.00 0.00 H new ATOM 1036 N SER A 86 -0.269 -8.241 2.576 1.00 0.00 N ATOM 1037 CA SER A 86 1.057 -8.828 2.602 1.00 0.00 C ATOM 1038 C SER A 86 1.728 -8.561 1.264 1.00 0.00 C ATOM 1039 O SER A 86 1.317 -7.656 0.539 1.00 0.00 O ATOM 1040 CB SER A 86 0.968 -10.339 2.856 1.00 0.00 C ATOM 1041 OG SER A 86 0.292 -10.619 4.069 1.00 0.00 O ATOM 0 H SER A 86 -0.643 -8.116 1.635 1.00 0.00 H new ATOM 0 HA SER A 86 1.641 -8.383 3.408 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.447 -10.819 2.028 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.971 -10.764 2.890 1.00 0.00 H new ATOM 0 HG SER A 86 0.249 -11.589 4.203 1.00 0.00 H new ATOM 1047 N GLU A 87 2.751 -9.334 0.937 1.00 0.00 N ATOM 1048 CA GLU A 87 3.377 -9.205 -0.367 1.00 0.00 C ATOM 1049 C GLU A 87 2.407 -9.632 -1.464 1.00 0.00 C ATOM 1050 O GLU A 87 2.165 -8.887 -2.413 1.00 0.00 O ATOM 1051 CB GLU A 87 4.646 -10.049 -0.438 1.00 0.00 C ATOM 1052 CG GLU A 87 5.682 -9.677 0.608 1.00 0.00 C ATOM 1053 CD GLU A 87 7.027 -10.301 0.316 1.00 0.00 C ATOM 1054 OE1 GLU A 87 7.817 -9.678 -0.429 1.00 0.00 O ATOM 1055 OE2 GLU A 87 7.283 -11.414 0.803 1.00 0.00 O ATOM 0 H GLU A 87 3.159 -10.045 1.544 1.00 0.00 H new ATOM 0 HA GLU A 87 3.644 -8.159 -0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.381 -11.099 -0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.088 -9.943 -1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.786 -8.593 0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.338 -10.000 1.591 1.00 0.00 H new ATOM 1062 N GLN A 88 1.860 -10.841 -1.309 1.00 0.00 N ATOM 1063 CA GLN A 88 0.864 -11.392 -2.236 1.00 0.00 C ATOM 1064 C GLN A 88 1.278 -11.203 -3.695 1.00 0.00 C ATOM 1065 O GLN A 88 2.337 -11.675 -4.110 1.00 0.00 O ATOM 1066 CB GLN A 88 -0.510 -10.761 -1.984 1.00 0.00 C ATOM 1067 CG GLN A 88 -1.025 -10.958 -0.561 1.00 0.00 C ATOM 1068 CD GLN A 88 -1.488 -12.379 -0.259 1.00 0.00 C ATOM 1069 OE1 GLN A 88 -2.368 -12.586 0.576 1.00 0.00 O ATOM 1070 NE2 GLN A 88 -0.917 -13.367 -0.931 1.00 0.00 N ATOM 0 H GLN A 88 2.094 -11.466 -0.538 1.00 0.00 H new ATOM 0 HA GLN A 88 0.802 -12.464 -2.049 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.454 -9.693 -2.196 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.229 -11.187 -2.683 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.236 -10.687 0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.854 -10.272 -0.388 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.190 -13.164 -1.617 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.204 -14.331 -0.763 1.00 0.00 H new TER 1079 GLN A 88