USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 427 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 35 THR OG1 : rot 180:sc= 0.156 USER MOD Set 1.2: A 37 ASN : amide:sc= 0 K(o=0.16,f=-0.62) USER MOD Set 2.1: A 16 SER OG : rot 171:sc= 2.5 USER MOD Set 2.2: A 19 SER OG : rot -81:sc= 1.06 USER MOD Single : A 3 CYS SG : rot 66:sc= 0.836 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : A 18 LYS NZ :NH3+ 147:sc= 2.2 (180deg=0.146) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0422 USER MOD Single : A 25 LYS NZ :NH3+ -160:sc= 0.88 (180deg=0.241) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.782 K(o=0.78,f=-0.23) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.16) USER MOD Single : A 41 THR OG1 : rot -110:sc= 0.00436 USER MOD Single : A 42 ASN : amide:sc= 1.05 K(o=1,f=-0.097) USER MOD Single : A 46 SER OG : rot 66:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 -6.656 -1.366 -7.462 1.00 0.00 N ATOM 19 CA LEU A 2 -6.359 -2.717 -6.972 1.00 0.00 C ATOM 20 C LEU A 2 -4.859 -2.904 -6.727 1.00 0.00 C ATOM 21 O LEU A 2 -4.018 -2.324 -7.422 1.00 0.00 O ATOM 22 CB LEU A 2 -6.923 -3.773 -7.945 1.00 0.00 C ATOM 23 CG LEU A 2 -8.429 -3.647 -8.255 1.00 0.00 C ATOM 24 CD1 LEU A 2 -8.837 -4.715 -9.269 1.00 0.00 C ATOM 25 CD2 LEU A 2 -9.310 -3.817 -7.017 1.00 0.00 C ATOM 0 HA LEU A 2 -6.851 -2.853 -6.009 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.370 -3.712 -8.882 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.736 -4.763 -7.529 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.579 -2.641 -8.647 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.901 -4.623 -9.486 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.267 -4.581 -10.188 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.635 -5.704 -8.857 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.358 -3.718 -7.300 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.143 -4.803 -6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.058 -3.051 -6.283 1.00 0.00 H new ATOM 37 N CYS A 3 -4.539 -3.745 -5.744 1.00 0.00 N ATOM 38 CA CYS A 3 -3.209 -3.883 -5.186 1.00 0.00 C ATOM 39 C CYS A 3 -2.081 -4.221 -6.175 1.00 0.00 C ATOM 40 O CYS A 3 -2.213 -5.109 -7.013 1.00 0.00 O ATOM 41 CB CYS A 3 -3.288 -4.842 -3.981 1.00 0.00 C ATOM 42 SG CYS A 3 -4.805 -4.741 -3.002 1.00 0.00 S ATOM 0 H CYS A 3 -5.222 -4.363 -5.307 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.896 -2.892 -4.858 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.179 -5.864 -4.345 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.440 -4.644 -3.326 1.00 0.00 H new ATOM 0 HG CYS A 3 -5.812 -5.141 -3.720 1.00 0.00 H new ATOM 48 N ALA A 4 -0.923 -3.570 -6.008 1.00 0.00 N ATOM 49 CA ALA A 4 0.265 -3.882 -6.818 1.00 0.00 C ATOM 50 C ALA A 4 0.849 -5.275 -6.492 1.00 0.00 C ATOM 51 O ALA A 4 1.546 -5.872 -7.314 1.00 0.00 O ATOM 52 CB ALA A 4 1.343 -2.820 -6.640 1.00 0.00 C ATOM 0 H ALA A 4 -0.782 -2.827 -5.323 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.064 -3.891 -7.857 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.210 -3.075 -7.250 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.954 -1.851 -6.951 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.638 -2.773 -5.592 1.00 0.00 H new ATOM 58 N ILE A 5 0.572 -5.772 -5.277 1.00 0.00 N ATOM 59 CA ILE A 5 1.206 -6.962 -4.697 1.00 0.00 C ATOM 60 C ILE A 5 0.384 -8.237 -4.949 1.00 0.00 C ATOM 61 O ILE A 5 0.942 -9.248 -5.379 1.00 0.00 O ATOM 62 CB ILE A 5 1.480 -6.682 -3.199 1.00 0.00 C ATOM 63 CG1 ILE A 5 2.545 -5.568 -3.077 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.001 -7.963 -2.517 1.00 0.00 C ATOM 65 CD1 ILE A 5 2.713 -5.006 -1.664 1.00 0.00 C ATOM 0 H ILE A 5 -0.116 -5.346 -4.657 1.00 0.00 H new ATOM 0 HA ILE A 5 2.158 -7.158 -5.190 1.00 0.00 H new ATOM 0 HB ILE A 5 0.556 -6.366 -2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.504 -5.960 -3.415 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.279 -4.753 -3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.193 -7.762 -1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.254 -8.752 -2.606 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.925 -8.282 -2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.479 -4.231 -1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.768 -4.580 -1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.012 -5.806 -0.987 1.00 0.00 H new ATOM 77 N SER A 6 -0.934 -8.190 -4.711 1.00 0.00 N ATOM 78 CA SER A 6 -1.858 -9.330 -4.900 1.00 0.00 C ATOM 79 C SER A 6 -3.034 -9.045 -5.846 1.00 0.00 C ATOM 80 O SER A 6 -3.643 -9.974 -6.380 1.00 0.00 O ATOM 81 CB SER A 6 -2.336 -9.877 -3.548 1.00 0.00 C ATOM 82 OG SER A 6 -2.829 -11.201 -3.670 1.00 0.00 O ATOM 0 H SER A 6 -1.401 -7.347 -4.376 1.00 0.00 H new ATOM 0 HA SER A 6 -1.276 -10.101 -5.405 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.512 -9.858 -2.835 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.118 -9.231 -3.149 1.00 0.00 H new ATOM 0 HG SER A 6 -3.124 -11.522 -2.793 1.00 0.00 H new ATOM 88 N GLY A 7 -3.339 -7.766 -6.115 1.00 0.00 N ATOM 89 CA GLY A 7 -4.369 -7.386 -7.093 1.00 0.00 C ATOM 90 C GLY A 7 -5.806 -7.558 -6.604 1.00 0.00 C ATOM 91 O GLY A 7 -6.761 -7.551 -7.384 1.00 0.00 O ATOM 0 H GLY A 7 -2.883 -6.973 -5.665 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.217 -6.344 -7.374 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.232 -7.983 -7.995 1.00 0.00 H new ATOM 95 N LYS A 8 -5.931 -7.744 -5.294 1.00 0.00 N ATOM 96 CA LYS A 8 -7.148 -7.933 -4.507 1.00 0.00 C ATOM 97 C LYS A 8 -7.945 -6.623 -4.388 1.00 0.00 C ATOM 98 O LYS A 8 -7.411 -5.542 -4.636 1.00 0.00 O ATOM 99 CB LYS A 8 -6.616 -8.458 -3.160 1.00 0.00 C ATOM 100 CG LYS A 8 -7.653 -8.702 -2.060 1.00 0.00 C ATOM 101 CD LYS A 8 -6.959 -9.307 -0.836 1.00 0.00 C ATOM 102 CE LYS A 8 -7.964 -9.489 0.306 1.00 0.00 C ATOM 103 NZ LYS A 8 -7.285 -9.898 1.559 1.00 0.00 N ATOM 0 H LYS A 8 -5.104 -7.769 -4.698 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.861 -8.625 -4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.088 -9.394 -3.344 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.881 -7.746 -2.783 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.141 -7.765 -1.790 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.431 -9.374 -2.421 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.517 -10.268 -1.098 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.144 -8.659 -0.513 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.505 -8.557 0.470 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.702 -10.241 0.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.990 -10.014 2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.790 -10.800 1.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.598 -9.168 1.836 1.00 0.00 H new ATOM 117 N VAL A 9 -9.223 -6.710 -4.009 1.00 0.00 N ATOM 118 CA VAL A 9 -10.045 -5.546 -3.618 1.00 0.00 C ATOM 119 C VAL A 9 -9.589 -5.177 -2.196 1.00 0.00 C ATOM 120 O VAL A 9 -9.884 -5.939 -1.265 1.00 0.00 O ATOM 121 CB VAL A 9 -11.553 -5.855 -3.673 1.00 0.00 C ATOM 122 CG1 VAL A 9 -12.385 -4.637 -3.245 1.00 0.00 C ATOM 123 CG2 VAL A 9 -11.983 -6.234 -5.096 1.00 0.00 C ATOM 0 H VAL A 9 -9.727 -7.596 -3.962 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.905 -4.716 -4.310 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.728 -6.686 -2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.445 -4.885 -3.294 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.124 -4.359 -2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.177 -3.801 -3.913 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -13.052 -6.448 -5.108 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.770 -5.407 -5.773 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.433 -7.118 -5.419 1.00 0.00 H new ATOM 133 N PRO A 10 -8.840 -4.076 -1.993 1.00 0.00 N ATOM 134 CA PRO A 10 -8.179 -3.806 -0.719 1.00 0.00 C ATOM 135 C PRO A 10 -9.136 -3.662 0.468 1.00 0.00 C ATOM 136 O PRO A 10 -9.975 -2.759 0.504 1.00 0.00 O ATOM 137 CB PRO A 10 -7.317 -2.559 -0.949 1.00 0.00 C ATOM 138 CG PRO A 10 -8.017 -1.842 -2.101 1.00 0.00 C ATOM 139 CD PRO A 10 -8.565 -3.000 -2.936 1.00 0.00 C ATOM 0 HA PRO A 10 -7.569 -4.661 -0.426 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.271 -1.934 -0.057 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.291 -2.823 -1.206 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.813 -1.187 -1.746 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.325 -1.223 -2.672 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.470 -2.705 -3.467 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.842 -3.315 -3.689 1.00 0.00 H new ATOM 147 N ARG A 11 -8.984 -4.542 1.468 1.00 0.00 N ATOM 148 CA ARG A 11 -9.659 -4.440 2.774 1.00 0.00 C ATOM 149 C ARG A 11 -9.094 -3.293 3.621 1.00 0.00 C ATOM 150 O ARG A 11 -9.857 -2.619 4.314 1.00 0.00 O ATOM 151 CB ARG A 11 -9.585 -5.783 3.528 1.00 0.00 C ATOM 152 CG ARG A 11 -10.148 -6.991 2.755 1.00 0.00 C ATOM 153 CD ARG A 11 -11.562 -6.774 2.202 1.00 0.00 C ATOM 154 NE ARG A 11 -12.173 -8.049 1.771 1.00 0.00 N ATOM 155 CZ ARG A 11 -12.023 -8.691 0.627 1.00 0.00 C ATOM 156 NH1 ARG A 11 -11.286 -8.252 -0.354 1.00 0.00 N ATOM 157 NH2 ARG A 11 -12.625 -9.829 0.445 1.00 0.00 N ATOM 0 H ARG A 11 -8.379 -5.359 1.393 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.708 -4.209 2.588 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.544 -5.985 3.781 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.128 -5.686 4.468 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.477 -7.225 1.928 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.156 -7.859 3.414 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.186 -6.309 2.966 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.523 -6.084 1.359 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.794 -8.492 2.448 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.787 -7.368 -0.261 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.208 -8.793 -1.215 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.209 -10.221 1.184 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.513 -10.330 -0.436 1.00 0.00 H new ATOM 171 N ARG A 12 -7.781 -3.026 3.523 1.00 0.00 N ATOM 172 CA ARG A 12 -7.110 -1.837 4.088 1.00 0.00 C ATOM 173 C ARG A 12 -6.378 -1.054 2.977 1.00 0.00 C ATOM 174 O ARG A 12 -5.188 -1.298 2.785 1.00 0.00 O ATOM 175 CB ARG A 12 -6.152 -2.266 5.220 1.00 0.00 C ATOM 176 CG ARG A 12 -6.813 -2.824 6.493 1.00 0.00 C ATOM 177 CD ARG A 12 -7.506 -1.770 7.373 1.00 0.00 C ATOM 178 NE ARG A 12 -6.557 -0.792 7.957 1.00 0.00 N ATOM 179 CZ ARG A 12 -6.743 -0.036 9.025 1.00 0.00 C ATOM 180 NH1 ARG A 12 -7.799 -0.152 9.782 1.00 0.00 N ATOM 181 NH2 ARG A 12 -5.876 0.873 9.364 1.00 0.00 N ATOM 0 H ARG A 12 -7.136 -3.648 3.035 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.855 -1.167 4.517 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.473 -3.023 4.826 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.543 -1.406 5.499 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.547 -3.576 6.205 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.053 -3.331 7.088 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.248 -1.238 6.778 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.043 -2.272 8.177 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.660 -0.691 7.481 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.514 -0.843 9.557 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.909 0.449 10.599 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.036 1.011 8.802 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.036 1.447 10.192 1.00 0.00 H new ATOM 195 N PRO A 13 -7.048 -0.162 2.216 1.00 0.00 N ATOM 196 CA PRO A 13 -6.441 0.613 1.132 1.00 0.00 C ATOM 197 C PRO A 13 -5.323 1.514 1.640 1.00 0.00 C ATOM 198 O PRO A 13 -5.504 2.373 2.503 1.00 0.00 O ATOM 199 CB PRO A 13 -7.571 1.396 0.452 1.00 0.00 C ATOM 200 CG PRO A 13 -8.684 1.390 1.492 1.00 0.00 C ATOM 201 CD PRO A 13 -8.479 0.032 2.154 1.00 0.00 C ATOM 0 HA PRO A 13 -5.962 -0.045 0.407 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.262 2.411 0.201 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.887 0.920 -0.476 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.585 2.211 2.202 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.670 1.479 1.037 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.920 0.012 3.151 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.957 -0.760 1.578 1.00 0.00 H new ATOM 209 N VAL A 14 -4.152 1.284 1.068 1.00 0.00 N ATOM 210 CA VAL A 14 -2.850 1.818 1.473 1.00 0.00 C ATOM 211 C VAL A 14 -2.014 2.205 0.249 1.00 0.00 C ATOM 212 O VAL A 14 -2.029 1.530 -0.775 1.00 0.00 O ATOM 213 CB VAL A 14 -2.158 0.754 2.358 1.00 0.00 C ATOM 214 CG1 VAL A 14 -0.637 0.840 2.411 1.00 0.00 C ATOM 215 CG2 VAL A 14 -2.641 0.900 3.803 1.00 0.00 C ATOM 0 H VAL A 14 -4.075 0.678 0.251 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.969 2.735 2.050 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.424 -0.197 1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.250 0.052 3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.231 0.719 1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.341 1.811 2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.154 0.151 4.427 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.393 1.896 4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.721 0.758 3.842 1.00 0.00 H new ATOM 225 N LEU A 15 -1.275 3.305 0.363 1.00 0.00 N ATOM 226 CA LEU A 15 -0.500 3.972 -0.690 1.00 0.00 C ATOM 227 C LEU A 15 0.917 4.307 -0.174 1.00 0.00 C ATOM 228 O LEU A 15 1.131 4.446 1.035 1.00 0.00 O ATOM 229 CB LEU A 15 -1.328 5.231 -1.059 1.00 0.00 C ATOM 230 CG LEU A 15 -0.623 6.440 -1.708 1.00 0.00 C ATOM 231 CD1 LEU A 15 -0.195 6.203 -3.153 1.00 0.00 C ATOM 232 CD2 LEU A 15 -1.568 7.644 -1.723 1.00 0.00 C ATOM 0 H LEU A 15 -1.193 3.792 1.256 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.344 3.350 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.121 4.913 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.809 5.584 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 15 0.269 6.611 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.293 7.098 -3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.500 5.364 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.072 5.977 -3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.065 8.495 -2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.462 7.398 -2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.851 7.898 -0.701 1.00 0.00 H new ATOM 244 N SER A 16 1.881 4.483 -1.085 1.00 0.00 N ATOM 245 CA SER A 16 3.218 5.024 -0.792 1.00 0.00 C ATOM 246 C SER A 16 3.592 6.126 -1.801 1.00 0.00 C ATOM 247 O SER A 16 3.173 6.065 -2.963 1.00 0.00 O ATOM 248 CB SER A 16 4.272 3.905 -0.715 1.00 0.00 C ATOM 249 OG SER A 16 5.008 3.767 -1.922 1.00 0.00 O ATOM 0 H SER A 16 1.753 4.249 -2.069 1.00 0.00 H new ATOM 0 HA SER A 16 3.194 5.489 0.194 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.960 4.114 0.104 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.779 2.961 -0.484 1.00 0.00 H new ATOM 0 HG SER A 16 5.760 3.156 -1.778 1.00 0.00 H new ATOM 255 N PRO A 17 4.394 7.134 -1.407 1.00 0.00 N ATOM 256 CA PRO A 17 4.786 8.241 -2.287 1.00 0.00 C ATOM 257 C PRO A 17 5.784 7.839 -3.390 1.00 0.00 C ATOM 258 O PRO A 17 6.055 8.639 -4.289 1.00 0.00 O ATOM 259 CB PRO A 17 5.362 9.309 -1.351 1.00 0.00 C ATOM 260 CG PRO A 17 5.909 8.503 -0.174 1.00 0.00 C ATOM 261 CD PRO A 17 4.923 7.341 -0.066 1.00 0.00 C ATOM 0 HA PRO A 17 3.926 8.603 -2.850 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.146 9.888 -1.839 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.596 10.016 -1.031 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.925 8.154 -0.361 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.938 9.094 0.741 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.419 6.442 0.300 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.123 7.573 0.637 1.00 0.00 H new ATOM 269 N LYS A 18 6.306 6.602 -3.358 1.00 0.00 N ATOM 270 CA LYS A 18 7.137 6.014 -4.424 1.00 0.00 C ATOM 271 C LYS A 18 6.265 5.250 -5.420 1.00 0.00 C ATOM 272 O LYS A 18 6.299 5.527 -6.620 1.00 0.00 O ATOM 273 CB LYS A 18 8.190 5.055 -3.844 1.00 0.00 C ATOM 274 CG LYS A 18 9.340 5.693 -3.052 1.00 0.00 C ATOM 275 CD LYS A 18 9.023 5.992 -1.575 1.00 0.00 C ATOM 276 CE LYS A 18 10.304 5.884 -0.732 1.00 0.00 C ATOM 277 NZ LYS A 18 10.634 4.468 -0.417 1.00 0.00 N ATOM 0 H LYS A 18 6.159 5.968 -2.573 1.00 0.00 H new ATOM 0 HA LYS A 18 7.646 6.834 -4.932 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.681 4.344 -3.193 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.619 4.483 -4.666 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.204 5.030 -3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.627 6.623 -3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.598 6.991 -1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.274 5.291 -1.206 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.134 6.341 -1.271 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.179 6.444 0.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.667 4.354 -0.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.219 4.211 0.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.248 3.848 -1.158 1.00 0.00 H new ATOM 291 N SER A 19 5.490 4.288 -4.919 1.00 0.00 N ATOM 292 CA SER A 19 4.644 3.390 -5.714 1.00 0.00 C ATOM 293 C SER A 19 3.488 4.103 -6.423 1.00 0.00 C ATOM 294 O SER A 19 3.157 3.741 -7.553 1.00 0.00 O ATOM 295 CB SER A 19 4.078 2.285 -4.818 1.00 0.00 C ATOM 296 OG SER A 19 3.217 2.839 -3.843 1.00 0.00 O ATOM 0 H SER A 19 5.430 4.104 -3.917 1.00 0.00 H new ATOM 0 HA SER A 19 5.285 2.974 -6.491 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.535 1.559 -5.423 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.893 1.749 -4.331 1.00 0.00 H new ATOM 0 HG SER A 19 3.749 3.202 -3.105 1.00 0.00 H new ATOM 302 N ARG A 20 2.875 5.110 -5.775 1.00 0.00 N ATOM 303 CA ARG A 20 1.711 5.910 -6.235 1.00 0.00 C ATOM 304 C ARG A 20 0.440 5.113 -6.618 1.00 0.00 C ATOM 305 O ARG A 20 -0.553 5.702 -7.049 1.00 0.00 O ATOM 306 CB ARG A 20 2.178 6.902 -7.319 1.00 0.00 C ATOM 307 CG ARG A 20 3.042 8.027 -6.716 1.00 0.00 C ATOM 308 CD ARG A 20 3.979 8.660 -7.751 1.00 0.00 C ATOM 309 NE ARG A 20 5.124 7.775 -8.034 1.00 0.00 N ATOM 310 CZ ARG A 20 6.084 7.933 -8.922 1.00 0.00 C ATOM 311 NH1 ARG A 20 6.118 8.940 -9.749 1.00 0.00 N ATOM 312 NH2 ARG A 20 7.043 7.056 -8.977 1.00 0.00 N ATOM 0 H ARG A 20 3.196 5.411 -4.855 1.00 0.00 H new ATOM 0 HA ARG A 20 1.352 6.465 -5.368 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.750 6.370 -8.080 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.310 7.335 -7.817 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.393 8.797 -6.299 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.632 7.627 -5.892 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.430 8.857 -8.672 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.339 9.621 -7.382 1.00 0.00 H new ATOM 0 HE ARG A 20 5.180 6.929 -7.467 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.382 9.645 -9.724 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.881 9.023 -10.421 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.044 6.261 -8.338 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.794 7.164 -9.659 1.00 0.00 H new ATOM 326 N THR A 21 0.446 3.796 -6.424 1.00 0.00 N ATOM 327 CA THR A 21 -0.683 2.849 -6.527 1.00 0.00 C ATOM 328 C THR A 21 -1.466 2.749 -5.201 1.00 0.00 C ATOM 329 O THR A 21 -1.106 3.393 -4.214 1.00 0.00 O ATOM 330 CB THR A 21 -0.135 1.464 -6.925 1.00 0.00 C ATOM 331 OG1 THR A 21 -1.180 0.609 -7.331 1.00 0.00 O ATOM 332 CG2 THR A 21 0.621 0.813 -5.768 1.00 0.00 C ATOM 0 H THR A 21 1.309 3.315 -6.169 1.00 0.00 H new ATOM 0 HA THR A 21 -1.376 3.213 -7.286 1.00 0.00 H new ATOM 0 HB THR A 21 0.553 1.617 -7.757 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.810 -0.264 -7.581 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.995 -0.162 -6.080 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.459 1.447 -5.478 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.051 0.689 -4.919 1.00 0.00 H new ATOM 340 N ILE A 22 -2.525 1.932 -5.147 1.00 0.00 N ATOM 341 CA ILE A 22 -3.221 1.569 -3.904 1.00 0.00 C ATOM 342 C ILE A 22 -3.162 0.047 -3.773 1.00 0.00 C ATOM 343 O ILE A 22 -3.726 -0.671 -4.596 1.00 0.00 O ATOM 344 CB ILE A 22 -4.670 2.097 -3.866 1.00 0.00 C ATOM 345 CG1 ILE A 22 -4.722 3.628 -4.083 1.00 0.00 C ATOM 346 CG2 ILE A 22 -5.341 1.704 -2.531 1.00 0.00 C ATOM 347 CD1 ILE A 22 -6.143 4.198 -4.196 1.00 0.00 C ATOM 0 H ILE A 22 -2.929 1.498 -5.977 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.727 2.039 -3.054 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.222 1.637 -4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.210 4.119 -3.255 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.170 3.874 -4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.364 2.081 -2.513 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.353 0.618 -2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.781 2.135 -1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.092 5.276 -4.347 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.654 3.737 -5.042 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.694 3.986 -3.280 1.00 0.00 H new ATOM 359 N PHE A 23 -2.494 -0.437 -2.730 1.00 0.00 N ATOM 360 CA PHE A 23 -2.458 -1.836 -2.296 1.00 0.00 C ATOM 361 C PHE A 23 -3.159 -2.035 -0.963 1.00 0.00 C ATOM 362 O PHE A 23 -3.597 -1.092 -0.309 1.00 0.00 O ATOM 363 CB PHE A 23 -1.027 -2.438 -2.293 1.00 0.00 C ATOM 364 CG PHE A 23 0.117 -1.464 -2.138 1.00 0.00 C ATOM 365 CD1 PHE A 23 0.269 -0.723 -0.961 1.00 0.00 C ATOM 366 CD2 PHE A 23 1.029 -1.293 -3.183 1.00 0.00 C ATOM 367 CE1 PHE A 23 1.263 0.276 -0.888 1.00 0.00 C ATOM 368 CE2 PHE A 23 2.042 -0.332 -3.105 1.00 0.00 C ATOM 369 CZ PHE A 23 2.153 0.465 -1.957 1.00 0.00 C ATOM 0 H PHE A 23 -1.932 0.167 -2.130 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.018 -2.396 -3.045 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.966 -3.167 -1.485 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.885 -2.984 -3.226 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.371 -0.915 -0.113 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.950 -1.912 -4.064 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.339 0.897 -0.007 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.734 -0.205 -3.924 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.921 1.222 -1.895 1.00 0.00 H new ATOM 379 N GLU A 24 -3.310 -3.297 -0.585 1.00 0.00 N ATOM 380 CA GLU A 24 -3.828 -3.649 0.727 1.00 0.00 C ATOM 381 C GLU A 24 -2.687 -3.614 1.767 1.00 0.00 C ATOM 382 O GLU A 24 -1.603 -4.144 1.504 1.00 0.00 O ATOM 383 CB GLU A 24 -4.615 -4.961 0.656 1.00 0.00 C ATOM 384 CG GLU A 24 -4.955 -5.553 2.025 1.00 0.00 C ATOM 385 CD GLU A 24 -5.887 -6.762 1.885 1.00 0.00 C ATOM 386 OE1 GLU A 24 -7.020 -6.585 1.388 1.00 0.00 O ATOM 387 OE2 GLU A 24 -5.504 -7.886 2.284 1.00 0.00 O ATOM 0 H GLU A 24 -3.079 -4.097 -1.174 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.553 -2.911 1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.540 -4.790 0.105 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.037 -5.690 0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.039 -5.853 2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.430 -4.793 2.646 1.00 0.00 H new ATOM 394 N LYS A 25 -2.926 -3.036 2.958 1.00 0.00 N ATOM 395 CA LYS A 25 -1.966 -2.891 4.065 1.00 0.00 C ATOM 396 C LYS A 25 -1.292 -4.216 4.358 1.00 0.00 C ATOM 397 O LYS A 25 -0.080 -4.274 4.532 1.00 0.00 O ATOM 398 CB LYS A 25 -2.686 -2.397 5.332 1.00 0.00 C ATOM 399 CG LYS A 25 -1.688 -1.994 6.429 1.00 0.00 C ATOM 400 CD LYS A 25 -2.422 -1.381 7.624 1.00 0.00 C ATOM 401 CE LYS A 25 -1.414 -0.881 8.666 1.00 0.00 C ATOM 402 NZ LYS A 25 -2.094 -0.143 9.761 1.00 0.00 N ATOM 0 H LYS A 25 -3.838 -2.639 3.185 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.211 -2.162 3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.318 -1.544 5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.343 -3.182 5.707 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.122 -2.867 6.752 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.970 -1.278 6.030 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.050 -0.555 7.290 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.083 -2.122 8.073 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.865 -1.727 9.080 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.683 -0.231 8.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.405 0.460 10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.850 0.449 9.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.504 -0.821 10.435 1.00 0.00 H new ATOM 416 N SER A 26 -2.098 -5.281 4.382 1.00 0.00 N ATOM 417 CA SER A 26 -1.627 -6.618 4.727 1.00 0.00 C ATOM 418 C SER A 26 -0.545 -7.139 3.763 1.00 0.00 C ATOM 419 O SER A 26 0.456 -7.731 4.174 1.00 0.00 O ATOM 420 CB SER A 26 -2.809 -7.593 4.793 1.00 0.00 C ATOM 421 OG SER A 26 -2.414 -8.811 5.398 1.00 0.00 O ATOM 0 H SER A 26 -3.093 -5.237 4.163 1.00 0.00 H new ATOM 0 HA SER A 26 -1.159 -6.549 5.709 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.625 -7.146 5.360 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.187 -7.785 3.789 1.00 0.00 H new ATOM 0 HG SER A 26 -3.180 -9.422 5.434 1.00 0.00 H new ATOM 427 N LEU A 27 -0.716 -6.861 2.465 1.00 0.00 N ATOM 428 CA LEU A 27 0.207 -7.271 1.404 1.00 0.00 C ATOM 429 C LEU A 27 1.499 -6.446 1.457 1.00 0.00 C ATOM 430 O LEU A 27 2.592 -6.992 1.312 1.00 0.00 O ATOM 431 CB LEU A 27 -0.430 -7.104 0.011 1.00 0.00 C ATOM 432 CG LEU A 27 -1.913 -7.459 -0.150 1.00 0.00 C ATOM 433 CD1 LEU A 27 -2.350 -7.097 -1.557 1.00 0.00 C ATOM 434 CD2 LEU A 27 -2.249 -8.913 0.157 1.00 0.00 C ATOM 0 H LEU A 27 -1.517 -6.334 2.117 1.00 0.00 H new ATOM 0 HA LEU A 27 0.436 -8.324 1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.300 -6.065 -0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.138 -7.715 -0.691 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.462 -6.880 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.404 -7.344 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.206 -6.029 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.755 -7.657 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.318 -9.077 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.692 -9.565 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.979 -9.139 1.188 1.00 0.00 H new ATOM 446 N LEU A 28 1.372 -5.131 1.682 1.00 0.00 N ATOM 447 CA LEU A 28 2.522 -4.241 1.821 1.00 0.00 C ATOM 448 C LEU A 28 3.337 -4.644 3.049 1.00 0.00 C ATOM 449 O LEU A 28 4.550 -4.756 2.946 1.00 0.00 O ATOM 450 CB LEU A 28 2.119 -2.762 1.907 1.00 0.00 C ATOM 451 CG LEU A 28 3.358 -1.836 1.838 1.00 0.00 C ATOM 452 CD1 LEU A 28 3.958 -1.808 0.430 1.00 0.00 C ATOM 453 CD2 LEU A 28 2.969 -0.435 2.300 1.00 0.00 C ATOM 0 H LEU A 28 0.471 -4.661 1.772 1.00 0.00 H new ATOM 0 HA LEU A 28 3.129 -4.347 0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.436 -2.521 1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.580 -2.583 2.838 1.00 0.00 H new ATOM 0 HG LEU A 28 4.128 -2.229 2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.826 -1.149 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.263 -2.815 0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.213 -1.441 -0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.840 0.219 2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.185 -0.043 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.604 -0.479 3.326 1.00 0.00 H new ATOM 465 N GLU A 29 2.677 -4.922 4.182 1.00 0.00 N ATOM 466 CA GLU A 29 3.326 -5.371 5.421 1.00 0.00 C ATOM 467 C GLU A 29 4.207 -6.599 5.158 1.00 0.00 C ATOM 468 O GLU A 29 5.356 -6.642 5.598 1.00 0.00 O ATOM 469 CB GLU A 29 2.285 -5.684 6.510 1.00 0.00 C ATOM 470 CG GLU A 29 2.935 -5.836 7.896 1.00 0.00 C ATOM 471 CD GLU A 29 2.118 -6.766 8.810 1.00 0.00 C ATOM 472 OE1 GLU A 29 1.109 -6.317 9.406 1.00 0.00 O ATOM 473 OE2 GLU A 29 2.502 -7.954 8.945 1.00 0.00 O ATOM 0 H GLU A 29 1.664 -4.840 4.264 1.00 0.00 H new ATOM 0 HA GLU A 29 3.959 -4.559 5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.542 -4.887 6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.756 -6.602 6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.944 -6.232 7.783 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.028 -4.856 8.364 1.00 0.00 H new ATOM 480 N GLN A 30 3.705 -7.565 4.380 1.00 0.00 N ATOM 481 CA GLN A 30 4.503 -8.722 3.968 1.00 0.00 C ATOM 482 C GLN A 30 5.752 -8.304 3.188 1.00 0.00 C ATOM 483 O GLN A 30 6.870 -8.654 3.562 1.00 0.00 O ATOM 484 CB GLN A 30 3.654 -9.706 3.152 1.00 0.00 C ATOM 485 CG GLN A 30 4.378 -11.032 2.852 1.00 0.00 C ATOM 486 CD GLN A 30 4.909 -11.733 4.105 1.00 0.00 C ATOM 487 OE1 GLN A 30 4.176 -12.055 5.031 1.00 0.00 O ATOM 488 NE2 GLN A 30 6.197 -11.985 4.200 1.00 0.00 N ATOM 0 H GLN A 30 2.749 -7.567 4.024 1.00 0.00 H new ATOM 0 HA GLN A 30 4.840 -9.225 4.875 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.733 -9.918 3.695 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.368 -9.235 2.211 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.693 -11.702 2.333 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.209 -10.838 2.174 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.825 -11.725 3.440 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.567 -12.441 5.034 1.00 0.00 H new ATOM 497 N TYR A 31 5.569 -7.543 2.110 1.00 0.00 N ATOM 498 CA TYR A 31 6.647 -7.179 1.188 1.00 0.00 C ATOM 499 C TYR A 31 7.708 -6.283 1.853 1.00 0.00 C ATOM 500 O TYR A 31 8.915 -6.391 1.601 1.00 0.00 O ATOM 501 CB TYR A 31 6.024 -6.512 -0.043 1.00 0.00 C ATOM 502 CG TYR A 31 6.993 -6.276 -1.183 1.00 0.00 C ATOM 503 CD1 TYR A 31 7.668 -7.359 -1.775 1.00 0.00 C ATOM 504 CD2 TYR A 31 7.219 -4.975 -1.661 1.00 0.00 C ATOM 505 CE1 TYR A 31 8.538 -7.147 -2.863 1.00 0.00 C ATOM 506 CE2 TYR A 31 8.142 -4.759 -2.702 1.00 0.00 C ATOM 507 CZ TYR A 31 8.795 -5.839 -3.317 1.00 0.00 C ATOM 508 OH TYR A 31 9.665 -5.613 -4.341 1.00 0.00 O ATOM 0 H TYR A 31 4.661 -7.158 1.849 1.00 0.00 H new ATOM 0 HA TYR A 31 7.179 -8.081 0.885 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.204 -7.133 -0.402 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.593 -5.556 0.255 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.519 -8.358 -1.394 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.685 -4.141 -1.230 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.008 -7.989 -3.349 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.350 -3.752 -3.031 1.00 0.00 H new ATOM 0 HH TYR A 31 9.717 -4.651 -4.520 1.00 0.00 H new ATOM 518 N VAL A 32 7.266 -5.434 2.781 1.00 0.00 N ATOM 519 CA VAL A 32 8.087 -4.429 3.457 1.00 0.00 C ATOM 520 C VAL A 32 8.814 -4.972 4.705 1.00 0.00 C ATOM 521 O VAL A 32 9.752 -4.355 5.210 1.00 0.00 O ATOM 522 CB VAL A 32 7.217 -3.187 3.742 1.00 0.00 C ATOM 523 CG1 VAL A 32 6.420 -3.305 5.045 1.00 0.00 C ATOM 524 CG2 VAL A 32 7.991 -1.881 3.814 1.00 0.00 C ATOM 0 H VAL A 32 6.295 -5.427 3.093 1.00 0.00 H new ATOM 0 HA VAL A 32 8.902 -4.138 2.794 1.00 0.00 H new ATOM 0 HB VAL A 32 6.549 -3.160 2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.827 -2.402 5.192 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.758 -4.169 4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.107 -3.428 5.882 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.303 -1.061 4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.731 -1.940 4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.495 -1.704 2.864 1.00 0.00 H new ATOM 534 N LYS A 33 8.422 -6.156 5.187 1.00 0.00 N ATOM 535 CA LYS A 33 9.154 -6.935 6.213 1.00 0.00 C ATOM 536 C LYS A 33 9.995 -8.056 5.580 1.00 0.00 C ATOM 537 O LYS A 33 10.865 -8.630 6.235 1.00 0.00 O ATOM 538 CB LYS A 33 8.219 -7.397 7.349 1.00 0.00 C ATOM 539 CG LYS A 33 7.382 -8.657 7.060 1.00 0.00 C ATOM 540 CD LYS A 33 6.281 -8.819 8.120 1.00 0.00 C ATOM 541 CE LYS A 33 5.381 -10.019 7.802 1.00 0.00 C ATOM 542 NZ LYS A 33 4.267 -10.138 8.775 1.00 0.00 N ATOM 0 H LYS A 33 7.568 -6.617 4.873 1.00 0.00 H new ATOM 0 HA LYS A 33 9.878 -6.277 6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.822 -7.581 8.238 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.539 -6.580 7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.934 -8.585 6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.026 -9.537 7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.734 -8.951 9.102 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.679 -7.911 8.166 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.976 -9.915 6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.975 -10.933 7.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.718 -10.998 8.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.653 -10.194 9.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.648 -9.306 8.698 1.00 0.00 H new ATOM 556 N ASP A 34 9.780 -8.313 4.286 1.00 0.00 N ATOM 557 CA ASP A 34 10.586 -9.173 3.411 1.00 0.00 C ATOM 558 C ASP A 34 11.883 -8.464 2.989 1.00 0.00 C ATOM 559 O ASP A 34 12.982 -8.979 3.202 1.00 0.00 O ATOM 560 CB ASP A 34 9.777 -9.535 2.149 1.00 0.00 C ATOM 561 CG ASP A 34 9.427 -11.030 2.095 1.00 0.00 C ATOM 562 OD1 ASP A 34 10.337 -11.847 1.823 1.00 0.00 O ATOM 563 OD2 ASP A 34 8.247 -11.397 2.316 1.00 0.00 O ATOM 0 H ASP A 34 8.990 -7.901 3.790 1.00 0.00 H new ATOM 0 HA ASP A 34 10.842 -10.077 3.964 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.859 -8.947 2.127 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.350 -9.265 1.262 1.00 0.00 H new ATOM 568 N THR A 35 11.745 -7.279 2.382 1.00 0.00 N ATOM 569 CA THR A 35 12.857 -6.474 1.831 1.00 0.00 C ATOM 570 C THR A 35 12.758 -4.998 2.205 1.00 0.00 C ATOM 571 O THR A 35 13.765 -4.287 2.207 1.00 0.00 O ATOM 572 CB THR A 35 12.905 -6.549 0.296 1.00 0.00 C ATOM 573 OG1 THR A 35 11.700 -6.056 -0.253 1.00 0.00 O ATOM 574 CG2 THR A 35 13.140 -7.957 -0.251 1.00 0.00 C ATOM 0 H THR A 35 10.835 -6.836 2.254 1.00 0.00 H new ATOM 0 HA THR A 35 13.758 -6.904 2.268 1.00 0.00 H new ATOM 0 HB THR A 35 13.758 -5.938 0.002 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.741 -6.107 -1.231 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.161 -7.925 -1.340 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.092 -8.337 0.119 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.335 -8.614 0.078 1.00 0.00 H new ATOM 582 N GLY A 36 11.549 -4.527 2.521 1.00 0.00 N ATOM 583 CA GLY A 36 11.237 -3.118 2.735 1.00 0.00 C ATOM 584 C GLY A 36 10.860 -2.385 1.447 1.00 0.00 C ATOM 585 O GLY A 36 10.335 -1.282 1.505 1.00 0.00 O ATOM 0 H GLY A 36 10.739 -5.136 2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.414 -3.038 3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.098 -2.626 3.187 1.00 0.00 H new ATOM 589 N ASN A 37 11.087 -2.973 0.278 1.00 0.00 N ATOM 590 CA ASN A 37 10.921 -2.295 -1.003 1.00 0.00 C ATOM 591 C ASN A 37 9.469 -1.861 -1.300 1.00 0.00 C ATOM 592 O ASN A 37 8.501 -2.415 -0.783 1.00 0.00 O ATOM 593 CB ASN A 37 11.427 -3.254 -2.093 1.00 0.00 C ATOM 594 CG ASN A 37 12.931 -3.499 -2.074 1.00 0.00 C ATOM 595 OD1 ASN A 37 13.711 -2.801 -1.441 1.00 0.00 O ATOM 596 ND2 ASN A 37 13.386 -4.501 -2.791 1.00 0.00 N ATOM 0 H ASN A 37 11.394 -3.942 0.192 1.00 0.00 H new ATOM 0 HA ASN A 37 11.492 -1.367 -0.976 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.915 -4.210 -1.984 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.150 -2.854 -3.068 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.387 -4.695 -2.819 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.738 -5.085 -3.320 1.00 0.00 H new ATOM 603 N ASP A 38 9.323 -0.857 -2.161 1.00 0.00 N ATOM 604 CA ASP A 38 8.063 -0.451 -2.788 1.00 0.00 C ATOM 605 C ASP A 38 7.842 -1.397 -3.995 1.00 0.00 C ATOM 606 O ASP A 38 8.760 -1.560 -4.802 1.00 0.00 O ATOM 607 CB ASP A 38 8.164 1.008 -3.245 1.00 0.00 C ATOM 608 CG ASP A 38 8.111 1.964 -2.052 1.00 0.00 C ATOM 609 OD1 ASP A 38 7.014 2.107 -1.463 1.00 0.00 O ATOM 610 OD2 ASP A 38 9.141 2.600 -1.735 1.00 0.00 O ATOM 0 H ASP A 38 10.110 -0.279 -2.455 1.00 0.00 H new ATOM 0 HA ASP A 38 7.225 -0.520 -2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.094 1.157 -3.793 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.349 1.234 -3.933 1.00 0.00 H new ATOM 615 N PRO A 39 6.667 -2.023 -4.180 1.00 0.00 N ATOM 616 CA PRO A 39 6.456 -3.114 -5.155 1.00 0.00 C ATOM 617 C PRO A 39 6.593 -2.763 -6.651 1.00 0.00 C ATOM 618 O PRO A 39 6.498 -3.665 -7.488 1.00 0.00 O ATOM 619 CB PRO A 39 5.065 -3.664 -4.824 1.00 0.00 C ATOM 620 CG PRO A 39 4.348 -2.455 -4.231 1.00 0.00 C ATOM 621 CD PRO A 39 5.449 -1.772 -3.429 1.00 0.00 C ATOM 0 HA PRO A 39 7.263 -3.838 -5.043 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.557 -4.038 -5.713 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.116 -4.490 -4.115 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.947 -1.802 -5.006 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.511 -2.751 -3.599 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.260 -0.703 -3.328 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.515 -2.180 -2.421 1.00 0.00 H new ATOM 629 N ILE A 40 6.797 -1.489 -7.015 1.00 0.00 N ATOM 630 CA ILE A 40 6.872 -1.019 -8.412 1.00 0.00 C ATOM 631 C ILE A 40 8.265 -0.453 -8.726 1.00 0.00 C ATOM 632 O ILE A 40 8.878 -0.827 -9.729 1.00 0.00 O ATOM 633 CB ILE A 40 5.736 -0.002 -8.683 1.00 0.00 C ATOM 634 CG1 ILE A 40 4.363 -0.713 -8.615 1.00 0.00 C ATOM 635 CG2 ILE A 40 5.896 0.686 -10.054 1.00 0.00 C ATOM 636 CD1 ILE A 40 3.195 0.259 -8.444 1.00 0.00 C ATOM 0 H ILE A 40 6.917 -0.738 -6.335 1.00 0.00 H new ATOM 0 HA ILE A 40 6.726 -1.861 -9.088 1.00 0.00 H new ATOM 0 HB ILE A 40 5.793 0.768 -7.913 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.215 -1.294 -9.526 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.366 -1.419 -7.784 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.079 1.391 -10.205 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.846 1.219 -10.085 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.876 -0.066 -10.843 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.260 -0.300 -8.403 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.322 0.822 -7.519 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.169 0.949 -9.288 1.00 0.00 H new ATOM 648 N THR A 41 8.772 0.435 -7.868 1.00 0.00 N ATOM 649 CA THR A 41 10.085 1.092 -8.026 1.00 0.00 C ATOM 650 C THR A 41 11.237 0.343 -7.347 1.00 0.00 C ATOM 651 O THR A 41 12.399 0.644 -7.616 1.00 0.00 O ATOM 652 CB THR A 41 10.073 2.534 -7.508 1.00 0.00 C ATOM 653 OG1 THR A 41 9.535 2.533 -6.217 1.00 0.00 O ATOM 654 CG2 THR A 41 9.204 3.458 -8.362 1.00 0.00 C ATOM 0 H THR A 41 8.277 0.728 -7.026 1.00 0.00 H new ATOM 0 HA THR A 41 10.261 1.083 -9.102 1.00 0.00 H new ATOM 0 HB THR A 41 11.099 2.900 -7.537 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.653 2.960 -6.230 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.232 4.467 -7.950 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.584 3.473 -9.384 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.177 3.094 -8.362 1.00 0.00 H new ATOM 662 N ASN A 42 10.939 -0.639 -6.485 1.00 0.00 N ATOM 663 CA ASN A 42 11.840 -1.350 -5.565 1.00 0.00 C ATOM 664 C ASN A 42 12.718 -0.446 -4.677 1.00 0.00 C ATOM 665 O ASN A 42 13.762 -0.864 -4.171 1.00 0.00 O ATOM 666 CB ASN A 42 12.510 -2.568 -6.243 1.00 0.00 C ATOM 667 CG ASN A 42 13.968 -2.416 -6.669 1.00 0.00 C ATOM 668 OD1 ASN A 42 14.808 -3.260 -6.384 1.00 0.00 O ATOM 669 ND2 ASN A 42 14.323 -1.388 -7.405 1.00 0.00 N ATOM 0 H ASN A 42 9.983 -0.986 -6.406 1.00 0.00 H new ATOM 0 HA ASN A 42 11.220 -1.799 -4.789 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.445 -3.414 -5.558 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.926 -2.827 -7.126 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.286 -1.302 -7.730 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.636 -0.676 -7.652 1.00 0.00 H new ATOM 676 N GLU A 43 12.274 0.793 -4.449 1.00 0.00 N ATOM 677 CA GLU A 43 12.929 1.732 -3.532 1.00 0.00 C ATOM 678 C GLU A 43 12.779 1.248 -2.078 1.00 0.00 C ATOM 679 O GLU A 43 11.692 0.796 -1.710 1.00 0.00 O ATOM 680 CB GLU A 43 12.281 3.108 -3.698 1.00 0.00 C ATOM 681 CG GLU A 43 12.560 3.719 -5.078 1.00 0.00 C ATOM 682 CD GLU A 43 13.651 4.803 -5.014 1.00 0.00 C ATOM 683 OE1 GLU A 43 14.850 4.452 -4.895 1.00 0.00 O ATOM 684 OE2 GLU A 43 13.320 6.013 -5.083 1.00 0.00 O ATOM 0 H GLU A 43 11.443 1.177 -4.899 1.00 0.00 H new ATOM 0 HA GLU A 43 13.992 1.793 -3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.204 3.020 -3.553 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.654 3.779 -2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.869 2.933 -5.768 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.642 4.151 -5.477 1.00 0.00 H new ATOM 691 N PRO A 44 13.826 1.311 -1.235 1.00 0.00 N ATOM 692 CA PRO A 44 13.790 0.721 0.102 1.00 0.00 C ATOM 693 C PRO A 44 12.866 1.485 1.064 1.00 0.00 C ATOM 694 O PRO A 44 12.876 2.719 1.101 1.00 0.00 O ATOM 695 CB PRO A 44 15.244 0.725 0.585 1.00 0.00 C ATOM 696 CG PRO A 44 15.874 1.893 -0.174 1.00 0.00 C ATOM 697 CD PRO A 44 15.140 1.868 -1.514 1.00 0.00 C ATOM 0 HA PRO A 44 13.375 -0.286 0.072 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.307 0.868 1.664 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.744 -0.217 0.358 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.729 2.839 0.348 1.00 0.00 H new ATOM 0 HG3 PRO A 44 16.949 1.760 -0.300 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.059 2.870 -1.934 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.676 1.260 -2.242 1.00 0.00 H new ATOM 705 N LEU A 45 12.137 0.720 1.886 1.00 0.00 N ATOM 706 CA LEU A 45 11.214 1.132 2.964 1.00 0.00 C ATOM 707 C LEU A 45 9.950 1.875 2.482 1.00 0.00 C ATOM 708 O LEU A 45 10.007 2.864 1.752 1.00 0.00 O ATOM 709 CB LEU A 45 11.963 1.828 4.116 1.00 0.00 C ATOM 710 CG LEU A 45 12.854 0.849 4.910 1.00 0.00 C ATOM 711 CD1 LEU A 45 13.884 1.627 5.729 1.00 0.00 C ATOM 712 CD2 LEU A 45 12.039 -0.018 5.876 1.00 0.00 C ATOM 0 H LEU A 45 12.178 -0.296 1.811 1.00 0.00 H new ATOM 0 HA LEU A 45 10.803 0.211 3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.579 2.632 3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.241 2.288 4.791 1.00 0.00 H new ATOM 0 HG LEU A 45 13.341 0.202 4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.508 0.929 6.286 1.00 0.00 H new ATOM 0 HD12 LEU A 45 14.509 2.219 5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.370 2.289 6.426 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.707 -0.691 6.413 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.519 0.622 6.589 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.310 -0.602 5.314 1.00 0.00 H new ATOM 724 N SER A 46 8.787 1.394 2.931 1.00 0.00 N ATOM 725 CA SER A 46 7.449 1.784 2.459 1.00 0.00 C ATOM 726 C SER A 46 6.533 2.154 3.618 1.00 0.00 C ATOM 727 O SER A 46 5.885 3.192 3.617 1.00 0.00 O ATOM 728 CB SER A 46 6.821 0.664 1.631 1.00 0.00 C ATOM 729 OG SER A 46 5.873 1.206 0.735 1.00 0.00 O ATOM 0 H SER A 46 8.748 0.689 3.667 1.00 0.00 H new ATOM 0 HA SER A 46 7.569 2.665 1.829 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.594 0.131 1.078 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.341 -0.061 2.288 1.00 0.00 H new ATOM 0 HG SER A 46 6.331 1.766 0.074 1.00 0.00 H new ATOM 735 N ILE A 47 6.546 1.327 4.663 1.00 0.00 N ATOM 736 CA ILE A 47 5.893 1.533 5.958 1.00 0.00 C ATOM 737 C ILE A 47 6.344 2.790 6.703 1.00 0.00 C ATOM 738 O ILE A 47 5.529 3.504 7.282 1.00 0.00 O ATOM 739 CB ILE A 47 6.033 0.245 6.805 1.00 0.00 C ATOM 740 CG1 ILE A 47 5.112 0.200 8.038 1.00 0.00 C ATOM 741 CG2 ILE A 47 7.482 -0.021 7.257 1.00 0.00 C ATOM 742 CD1 ILE A 47 3.638 0.171 7.633 1.00 0.00 C ATOM 0 H ILE A 47 7.045 0.438 4.626 1.00 0.00 H new ATOM 0 HA ILE A 47 4.837 1.724 5.767 1.00 0.00 H new ATOM 0 HB ILE A 47 5.718 -0.543 6.121 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.344 -0.682 8.635 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.301 1.070 8.667 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.517 -0.937 7.847 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.122 -0.129 6.381 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.833 0.814 7.863 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.016 0.139 8.527 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.401 1.066 7.057 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.445 -0.713 7.025 1.00 0.00 H new ATOM 754 N GLU A 48 7.620 3.141 6.578 1.00 0.00 N ATOM 755 CA GLU A 48 8.202 4.400 7.050 1.00 0.00 C ATOM 756 C GLU A 48 7.674 5.608 6.256 1.00 0.00 C ATOM 757 O GLU A 48 7.911 6.758 6.630 1.00 0.00 O ATOM 758 CB GLU A 48 9.736 4.336 6.954 1.00 0.00 C ATOM 759 CG GLU A 48 10.376 3.260 7.847 1.00 0.00 C ATOM 760 CD GLU A 48 10.148 3.537 9.347 1.00 0.00 C ATOM 761 OE1 GLU A 48 10.831 4.424 9.916 1.00 0.00 O ATOM 762 OE2 GLU A 48 9.295 2.866 9.975 1.00 0.00 O ATOM 0 H GLU A 48 8.306 2.535 6.128 1.00 0.00 H new ATOM 0 HA GLU A 48 7.905 4.534 8.090 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.017 4.147 5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.147 5.309 7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.961 2.285 7.592 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.446 3.213 7.646 1.00 0.00 H new ATOM 769 N GLU A 49 6.937 5.352 5.169 1.00 0.00 N ATOM 770 CA GLU A 49 6.376 6.360 4.258 1.00 0.00 C ATOM 771 C GLU A 49 4.864 6.175 4.012 1.00 0.00 C ATOM 772 O GLU A 49 4.280 6.835 3.148 1.00 0.00 O ATOM 773 CB GLU A 49 7.169 6.355 2.934 1.00 0.00 C ATOM 774 CG GLU A 49 8.668 6.687 3.065 1.00 0.00 C ATOM 775 CD GLU A 49 8.965 8.103 3.611 1.00 0.00 C ATOM 776 OE1 GLU A 49 8.148 9.036 3.416 1.00 0.00 O ATOM 777 OE2 GLU A 49 10.057 8.307 4.193 1.00 0.00 O ATOM 0 H GLU A 49 6.705 4.399 4.888 1.00 0.00 H new ATOM 0 HA GLU A 49 6.478 7.334 4.737 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.070 5.372 2.474 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.712 7.073 2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.134 5.953 3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.137 6.583 2.087 1.00 0.00 H new ATOM 784 N ILE A 50 4.223 5.274 4.764 1.00 0.00 N ATOM 785 CA ILE A 50 2.850 4.820 4.523 1.00 0.00 C ATOM 786 C ILE A 50 1.799 5.938 4.571 1.00 0.00 C ATOM 787 O ILE A 50 1.777 6.795 5.458 1.00 0.00 O ATOM 788 CB ILE A 50 2.486 3.652 5.465 1.00 0.00 C ATOM 789 CG1 ILE A 50 1.220 2.933 4.959 1.00 0.00 C ATOM 790 CG2 ILE A 50 2.325 4.090 6.933 1.00 0.00 C ATOM 791 CD1 ILE A 50 1.007 1.549 5.583 1.00 0.00 C ATOM 0 H ILE A 50 4.654 4.831 5.575 1.00 0.00 H new ATOM 0 HA ILE A 50 2.829 4.461 3.494 1.00 0.00 H new ATOM 0 HB ILE A 50 3.324 2.955 5.447 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.350 3.555 5.171 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.281 2.828 3.876 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.069 3.225 7.545 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.260 4.522 7.288 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.531 4.833 7.006 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.098 1.104 5.179 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.858 0.910 5.349 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.913 1.648 6.664 1.00 0.00 H new ATOM 803 N VAL A 51 0.885 5.863 3.608 1.00 0.00 N ATOM 804 CA VAL A 51 -0.356 6.644 3.502 1.00 0.00 C ATOM 805 C VAL A 51 -1.548 5.681 3.506 1.00 0.00 C ATOM 806 O VAL A 51 -1.948 5.167 2.462 1.00 0.00 O ATOM 807 CB VAL A 51 -0.348 7.567 2.263 1.00 0.00 C ATOM 808 CG1 VAL A 51 -1.596 8.461 2.233 1.00 0.00 C ATOM 809 CG2 VAL A 51 0.881 8.489 2.234 1.00 0.00 C ATOM 0 H VAL A 51 0.993 5.215 2.828 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.440 7.309 4.362 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.327 6.904 1.398 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.564 9.100 1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.489 7.838 2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.621 9.081 3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.843 9.119 1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.885 9.118 3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.788 7.885 2.212 1.00 0.00 H new ATOM 819 N GLU A 52 -2.106 5.377 4.681 1.00 0.00 N ATOM 820 CA GLU A 52 -3.343 4.583 4.770 1.00 0.00 C ATOM 821 C GLU A 52 -4.559 5.455 4.401 1.00 0.00 C ATOM 822 O GLU A 52 -4.865 6.440 5.077 1.00 0.00 O ATOM 823 CB GLU A 52 -3.540 3.899 6.141 1.00 0.00 C ATOM 824 CG GLU A 52 -2.281 3.353 6.830 1.00 0.00 C ATOM 825 CD GLU A 52 -2.624 2.676 8.171 1.00 0.00 C ATOM 826 OE1 GLU A 52 -3.499 1.778 8.217 1.00 0.00 O ATOM 827 OE2 GLU A 52 -1.983 2.989 9.201 1.00 0.00 O ATOM 0 H GLU A 52 -1.726 5.665 5.582 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.249 3.771 4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.011 4.616 6.813 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.241 3.074 6.012 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.787 2.636 6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.576 4.166 7.001 1.00 0.00 H new ATOM 834 N ILE A 53 -5.247 5.110 3.308 1.00 0.00 N ATOM 835 CA ILE A 53 -6.402 5.851 2.765 1.00 0.00 C ATOM 836 C ILE A 53 -7.693 5.508 3.536 1.00 0.00 C ATOM 837 O ILE A 53 -8.596 6.342 3.618 1.00 0.00 O ATOM 838 CB ILE A 53 -6.527 5.545 1.247 1.00 0.00 C ATOM 839 CG1 ILE A 53 -5.284 6.090 0.496 1.00 0.00 C ATOM 840 CG2 ILE A 53 -7.814 6.130 0.630 1.00 0.00 C ATOM 841 CD1 ILE A 53 -5.173 5.623 -0.961 1.00 0.00 C ATOM 0 H ILE A 53 -5.013 4.284 2.757 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.245 6.922 2.892 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.582 4.462 1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.311 7.179 0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.386 5.784 1.033 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.851 5.887 -0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.684 5.704 1.130 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.818 7.213 0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.277 6.049 -1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.112 4.535 -0.991 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.051 5.952 -1.517 1.00 0.00 H new