USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=14 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 16 SER OG : rot 173:sc= 1.16 USER MOD Set 1.2: A 46 SER OG : rot 69:sc= 1.3 USER MOD Set 2.1: A 35 THR OG1 : rot 107:sc= 0.0193 USER MOD Set 2.2: A 37 ASN : amide:sc= 0.548 K(o=0.57,f=-0.71) USER MOD Set 3.1: A 30 GLN : amide:sc= 0.289 K(o=0.62,f=-1) USER MOD Set 3.2: A 33 LYS NZ :NH3+ -125:sc= 0.334 (180deg=0) USER MOD Single : A 3 CYS SG : rot 68:sc= 1.03 USER MOD Single : A 6 SER OG : rot -170:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.17) USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 3.47 (180deg=3.36) USER MOD Single : A 19 SER OG : rot -136:sc= 1.22 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0388 USER MOD Single : A 25 LYS NZ :NH3+ -171:sc= 1.2 (180deg=1.12) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 1.05 K(o=1.1,f=-0.076) USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 -6.793 -1.265 -7.310 1.00 0.00 N ATOM 19 CA LEU A 2 -6.450 -2.646 -6.945 1.00 0.00 C ATOM 20 C LEU A 2 -4.948 -2.794 -6.702 1.00 0.00 C ATOM 21 O LEU A 2 -4.128 -2.146 -7.357 1.00 0.00 O ATOM 22 CB LEU A 2 -6.950 -3.631 -8.018 1.00 0.00 C ATOM 23 CG LEU A 2 -8.461 -3.570 -8.313 1.00 0.00 C ATOM 24 CD1 LEU A 2 -8.808 -4.562 -9.425 1.00 0.00 C ATOM 25 CD2 LEU A 2 -9.317 -3.920 -7.095 1.00 0.00 C ATOM 0 HA LEU A 2 -6.955 -2.888 -6.010 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.408 -3.440 -8.944 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.698 -4.644 -7.704 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.679 -2.543 -8.606 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.877 -4.517 -9.632 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.253 -4.306 -10.327 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.542 -5.571 -9.109 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.372 -3.860 -7.362 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.083 -4.932 -6.765 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.107 -3.217 -6.289 1.00 0.00 H new ATOM 37 N CYS A 3 -4.595 -3.677 -5.763 1.00 0.00 N ATOM 38 CA CYS A 3 -3.260 -3.792 -5.221 1.00 0.00 C ATOM 39 C CYS A 3 -2.162 -4.104 -6.247 1.00 0.00 C ATOM 40 O CYS A 3 -2.319 -4.978 -7.095 1.00 0.00 O ATOM 41 CB CYS A 3 -3.309 -4.812 -4.063 1.00 0.00 C ATOM 42 SG CYS A 3 -4.809 -4.781 -3.053 1.00 0.00 S ATOM 0 H CYS A 3 -5.253 -4.342 -5.357 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.960 -2.811 -4.854 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.194 -5.813 -4.480 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.452 -4.637 -3.413 1.00 0.00 H new ATOM 0 HG CYS A 3 -5.816 -5.201 -3.759 1.00 0.00 H new ATOM 48 N ALA A 4 -1.002 -3.450 -6.114 1.00 0.00 N ATOM 49 CA ALA A 4 0.149 -3.779 -6.974 1.00 0.00 C ATOM 50 C ALA A 4 0.788 -5.137 -6.609 1.00 0.00 C ATOM 51 O ALA A 4 1.514 -5.725 -7.412 1.00 0.00 O ATOM 52 CB ALA A 4 1.195 -2.669 -6.978 1.00 0.00 C ATOM 0 H ALA A 4 -0.833 -2.706 -5.437 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.246 -3.868 -7.986 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.025 -2.954 -7.624 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.746 -1.747 -7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.562 -2.512 -5.964 1.00 0.00 H new ATOM 58 N ILE A 5 0.527 -5.625 -5.388 1.00 0.00 N ATOM 59 CA ILE A 5 1.188 -6.791 -4.794 1.00 0.00 C ATOM 60 C ILE A 5 0.413 -8.088 -5.088 1.00 0.00 C ATOM 61 O ILE A 5 1.002 -9.042 -5.600 1.00 0.00 O ATOM 62 CB ILE A 5 1.421 -6.521 -3.291 1.00 0.00 C ATOM 63 CG1 ILE A 5 2.465 -5.393 -3.148 1.00 0.00 C ATOM 64 CG2 ILE A 5 1.946 -7.802 -2.614 1.00 0.00 C ATOM 65 CD1 ILE A 5 2.607 -4.841 -1.729 1.00 0.00 C ATOM 0 H ILE A 5 -0.169 -5.207 -4.771 1.00 0.00 H new ATOM 0 HA ILE A 5 2.165 -6.946 -5.252 1.00 0.00 H new ATOM 0 HB ILE A 5 0.486 -6.224 -2.815 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.434 -5.767 -3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.194 -4.576 -3.817 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.111 -7.612 -1.553 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.214 -8.601 -2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.886 -8.100 -3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.360 -4.053 -1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.651 -4.433 -1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.911 -5.642 -1.056 1.00 0.00 H new ATOM 77 N SER A 6 -0.900 -8.114 -4.810 1.00 0.00 N ATOM 78 CA SER A 6 -1.770 -9.284 -5.058 1.00 0.00 C ATOM 79 C SER A 6 -2.994 -9.005 -5.937 1.00 0.00 C ATOM 80 O SER A 6 -3.649 -9.950 -6.379 1.00 0.00 O ATOM 81 CB SER A 6 -2.188 -9.997 -3.764 1.00 0.00 C ATOM 82 OG SER A 6 -1.058 -10.329 -2.973 1.00 0.00 O ATOM 0 H SER A 6 -1.395 -7.320 -4.404 1.00 0.00 H new ATOM 0 HA SER A 6 -1.133 -9.955 -5.634 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.859 -9.356 -3.193 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.743 -10.903 -4.008 1.00 0.00 H new ATOM 0 HG SER A 6 -1.334 -10.916 -2.239 1.00 0.00 H new ATOM 88 N GLY A 7 -3.308 -7.736 -6.230 1.00 0.00 N ATOM 89 CA GLY A 7 -4.339 -7.384 -7.219 1.00 0.00 C ATOM 90 C GLY A 7 -5.779 -7.562 -6.740 1.00 0.00 C ATOM 91 O GLY A 7 -6.732 -7.541 -7.521 1.00 0.00 O ATOM 0 H GLY A 7 -2.860 -6.930 -5.793 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.196 -6.345 -7.516 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.190 -7.994 -8.110 1.00 0.00 H new ATOM 95 N LYS A 8 -5.900 -7.768 -5.433 1.00 0.00 N ATOM 96 CA LYS A 8 -7.115 -7.986 -4.654 1.00 0.00 C ATOM 97 C LYS A 8 -7.924 -6.687 -4.512 1.00 0.00 C ATOM 98 O LYS A 8 -7.391 -5.596 -4.707 1.00 0.00 O ATOM 99 CB LYS A 8 -6.580 -8.533 -3.318 1.00 0.00 C ATOM 100 CG LYS A 8 -7.614 -8.765 -2.214 1.00 0.00 C ATOM 101 CD LYS A 8 -6.931 -9.381 -0.991 1.00 0.00 C ATOM 102 CE LYS A 8 -7.948 -9.555 0.142 1.00 0.00 C ATOM 103 NZ LYS A 8 -7.285 -9.996 1.392 1.00 0.00 N ATOM 0 H LYS A 8 -5.073 -7.789 -4.836 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.821 -8.677 -5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.072 -9.477 -3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.828 -7.839 -2.941 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.088 -7.822 -1.942 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.403 -9.426 -2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.497 -10.346 -1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.112 -8.742 -0.661 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.468 -8.613 0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.702 -10.286 -0.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.994 -10.090 2.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.824 -10.915 1.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.571 -9.294 1.673 1.00 0.00 H new ATOM 117 N VAL A 9 -9.211 -6.800 -4.176 1.00 0.00 N ATOM 118 CA VAL A 9 -10.055 -5.660 -3.764 1.00 0.00 C ATOM 119 C VAL A 9 -9.632 -5.351 -2.316 1.00 0.00 C ATOM 120 O VAL A 9 -9.936 -6.155 -1.428 1.00 0.00 O ATOM 121 CB VAL A 9 -11.557 -5.991 -3.857 1.00 0.00 C ATOM 122 CG1 VAL A 9 -12.409 -4.795 -3.412 1.00 0.00 C ATOM 123 CG2 VAL A 9 -11.958 -6.336 -5.298 1.00 0.00 C ATOM 0 H VAL A 9 -9.708 -7.691 -4.180 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.914 -4.801 -4.421 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.733 -6.846 -3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.465 -5.053 -3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.169 -4.542 -2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.198 -3.939 -4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -13.023 -6.565 -5.334 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.747 -5.486 -5.948 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.389 -7.202 -5.637 1.00 0.00 H new ATOM 133 N PRO A 10 -8.894 -4.255 -2.048 1.00 0.00 N ATOM 134 CA PRO A 10 -8.257 -4.033 -0.754 1.00 0.00 C ATOM 135 C PRO A 10 -9.232 -3.958 0.427 1.00 0.00 C ATOM 136 O PRO A 10 -10.073 -3.058 0.499 1.00 0.00 O ATOM 137 CB PRO A 10 -7.411 -2.764 -0.920 1.00 0.00 C ATOM 138 CG PRO A 10 -8.115 -2.004 -2.042 1.00 0.00 C ATOM 139 CD PRO A 10 -8.631 -3.130 -2.938 1.00 0.00 C ATOM 0 HA PRO A 10 -7.640 -4.891 -0.488 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.379 -2.181 0.000 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.380 -3.001 -1.183 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.927 -1.383 -1.663 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.431 -1.344 -2.575 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.536 -2.828 -3.464 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.895 -3.395 -3.697 1.00 0.00 H new ATOM 147 N ARG A 11 -9.091 -4.892 1.381 1.00 0.00 N ATOM 148 CA ARG A 11 -9.826 -4.910 2.656 1.00 0.00 C ATOM 149 C ARG A 11 -9.493 -3.686 3.507 1.00 0.00 C ATOM 150 O ARG A 11 -10.403 -3.018 4.001 1.00 0.00 O ATOM 151 CB ARG A 11 -9.555 -6.235 3.396 1.00 0.00 C ATOM 152 CG ARG A 11 -10.327 -6.401 4.720 1.00 0.00 C ATOM 153 CD ARG A 11 -11.856 -6.271 4.602 1.00 0.00 C ATOM 154 NE ARG A 11 -12.431 -7.262 3.668 1.00 0.00 N ATOM 155 CZ ARG A 11 -13.674 -7.306 3.223 1.00 0.00 C ATOM 156 NH1 ARG A 11 -14.577 -6.439 3.588 1.00 0.00 N ATOM 157 NH2 ARG A 11 -14.044 -8.242 2.393 1.00 0.00 N ATOM 0 H ARG A 11 -8.446 -5.676 1.284 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.895 -4.855 2.451 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.811 -7.064 2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.487 -6.309 3.602 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.092 -7.379 5.140 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.968 -5.655 5.429 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.307 -6.398 5.586 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.108 -5.266 4.263 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.801 -7.990 3.331 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.334 -5.693 4.240 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.527 -6.507 3.222 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.372 -8.945 2.084 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.005 -8.271 2.053 1.00 0.00 H new ATOM 171 N ARG A 12 -8.199 -3.371 3.640 1.00 0.00 N ATOM 172 CA ARG A 12 -7.687 -2.175 4.303 1.00 0.00 C ATOM 173 C ARG A 12 -6.678 -1.474 3.380 1.00 0.00 C ATOM 174 O ARG A 12 -5.508 -1.848 3.400 1.00 0.00 O ATOM 175 CB ARG A 12 -7.122 -2.646 5.652 1.00 0.00 C ATOM 176 CG ARG A 12 -6.461 -1.544 6.471 1.00 0.00 C ATOM 177 CD ARG A 12 -7.403 -0.372 6.798 1.00 0.00 C ATOM 178 NE ARG A 12 -6.898 0.427 7.930 1.00 0.00 N ATOM 179 CZ ARG A 12 -5.794 1.148 7.978 1.00 0.00 C ATOM 180 NH1 ARG A 12 -5.055 1.389 6.937 1.00 0.00 N ATOM 181 NH2 ARG A 12 -5.362 1.639 9.099 1.00 0.00 N ATOM 0 H ARG A 12 -7.456 -3.966 3.274 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.447 -1.420 4.502 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.930 -3.084 6.238 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.393 -3.436 5.472 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.087 -1.969 7.402 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.598 -1.164 5.924 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.511 0.266 5.920 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.395 -0.756 7.036 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.469 0.422 8.775 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.319 1.014 6.026 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.211 1.953 7.031 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.878 1.470 9.962 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.506 2.194 9.117 1.00 0.00 H new ATOM 195 N PRO A 13 -7.096 -0.535 2.512 1.00 0.00 N ATOM 196 CA PRO A 13 -6.216 0.098 1.535 1.00 0.00 C ATOM 197 C PRO A 13 -5.124 0.958 2.170 1.00 0.00 C ATOM 198 O PRO A 13 -5.265 1.550 3.243 1.00 0.00 O ATOM 199 CB PRO A 13 -7.122 0.915 0.602 1.00 0.00 C ATOM 200 CG PRO A 13 -8.388 1.125 1.426 1.00 0.00 C ATOM 201 CD PRO A 13 -8.457 -0.207 2.158 1.00 0.00 C ATOM 0 HA PRO A 13 -5.664 -0.664 0.984 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.662 1.863 0.325 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.331 0.380 -0.324 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.304 1.971 2.109 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.265 1.303 0.803 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.084 -0.133 3.046 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.893 -0.979 1.524 1.00 0.00 H new ATOM 209 N VAL A 14 -4.009 1.006 1.458 1.00 0.00 N ATOM 210 CA VAL A 14 -2.783 1.733 1.808 1.00 0.00 C ATOM 211 C VAL A 14 -2.036 2.173 0.535 1.00 0.00 C ATOM 212 O VAL A 14 -2.195 1.560 -0.519 1.00 0.00 O ATOM 213 CB VAL A 14 -1.942 0.859 2.777 1.00 0.00 C ATOM 214 CG1 VAL A 14 -0.786 0.078 2.153 1.00 0.00 C ATOM 215 CG2 VAL A 14 -1.433 1.684 3.949 1.00 0.00 C ATOM 0 H VAL A 14 -3.923 0.513 0.569 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.012 2.659 2.336 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.646 0.097 3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.274 -0.494 2.927 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.174 -0.603 1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.085 0.773 1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.847 1.049 4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.808 2.496 3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.279 2.099 4.497 1.00 0.00 H new ATOM 225 N LEU A 15 -1.214 3.222 0.614 1.00 0.00 N ATOM 226 CA LEU A 15 -0.465 3.785 -0.520 1.00 0.00 C ATOM 227 C LEU A 15 0.965 4.163 -0.091 1.00 0.00 C ATOM 228 O LEU A 15 1.216 4.482 1.074 1.00 0.00 O ATOM 229 CB LEU A 15 -1.284 4.990 -1.049 1.00 0.00 C ATOM 230 CG LEU A 15 -0.655 5.847 -2.171 1.00 0.00 C ATOM 231 CD1 LEU A 15 -1.744 6.437 -3.071 1.00 0.00 C ATOM 232 CD2 LEU A 15 0.132 7.049 -1.633 1.00 0.00 C ATOM 0 H LEU A 15 -1.044 3.718 1.489 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.341 3.059 -1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.241 4.613 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.499 5.646 -0.206 1.00 0.00 H new ATOM 0 HG LEU A 15 0.011 5.171 -2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.282 7.037 -3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.319 5.629 -3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.407 7.065 -2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.550 7.613 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.534 7.692 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.940 6.697 -0.991 1.00 0.00 H new ATOM 244 N SER A 16 1.893 4.171 -1.050 1.00 0.00 N ATOM 245 CA SER A 16 3.256 4.698 -0.917 1.00 0.00 C ATOM 246 C SER A 16 3.436 5.870 -1.893 1.00 0.00 C ATOM 247 O SER A 16 3.053 5.743 -3.061 1.00 0.00 O ATOM 248 CB SER A 16 4.279 3.605 -1.225 1.00 0.00 C ATOM 249 OG SER A 16 5.591 4.132 -1.207 1.00 0.00 O ATOM 0 H SER A 16 1.709 3.795 -1.980 1.00 0.00 H new ATOM 0 HA SER A 16 3.413 5.041 0.106 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.194 2.803 -0.492 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.070 3.169 -2.202 1.00 0.00 H new ATOM 0 HG SER A 16 6.238 3.402 -1.299 1.00 0.00 H new ATOM 255 N PRO A 17 4.015 7.012 -1.480 1.00 0.00 N ATOM 256 CA PRO A 17 4.181 8.188 -2.339 1.00 0.00 C ATOM 257 C PRO A 17 5.221 7.996 -3.461 1.00 0.00 C ATOM 258 O PRO A 17 5.380 8.881 -4.309 1.00 0.00 O ATOM 259 CB PRO A 17 4.578 9.318 -1.382 1.00 0.00 C ATOM 260 CG PRO A 17 5.322 8.588 -0.264 1.00 0.00 C ATOM 261 CD PRO A 17 4.559 7.271 -0.155 1.00 0.00 C ATOM 0 HA PRO A 17 3.260 8.401 -2.881 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.213 10.056 -1.872 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.705 9.850 -1.004 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.371 8.428 -0.513 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.298 9.148 0.671 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.219 6.463 0.161 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.763 7.341 0.587 1.00 0.00 H new ATOM 269 N LYS A 18 5.922 6.855 -3.488 1.00 0.00 N ATOM 270 CA LYS A 18 6.956 6.493 -4.466 1.00 0.00 C ATOM 271 C LYS A 18 6.325 5.839 -5.697 1.00 0.00 C ATOM 272 O LYS A 18 6.603 6.235 -6.828 1.00 0.00 O ATOM 273 CB LYS A 18 7.953 5.544 -3.776 1.00 0.00 C ATOM 274 CG LYS A 18 8.739 6.235 -2.639 1.00 0.00 C ATOM 275 CD LYS A 18 9.058 5.280 -1.483 1.00 0.00 C ATOM 276 CE LYS A 18 9.988 4.154 -1.934 1.00 0.00 C ATOM 277 NZ LYS A 18 9.897 2.981 -1.037 1.00 0.00 N ATOM 0 H LYS A 18 5.776 6.123 -2.793 1.00 0.00 H new ATOM 0 HA LYS A 18 7.480 7.384 -4.812 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.414 4.687 -3.372 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.654 5.159 -4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.669 6.641 -3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.160 7.078 -2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.523 5.835 -0.668 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.133 4.856 -1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.733 3.856 -2.951 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.016 4.517 -1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.601 2.271 -1.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.082 3.278 -0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.944 2.569 -1.100 1.00 0.00 H new ATOM 291 N SER A 19 5.451 4.859 -5.461 1.00 0.00 N ATOM 292 CA SER A 19 4.746 4.064 -6.475 1.00 0.00 C ATOM 293 C SER A 19 3.318 4.539 -6.791 1.00 0.00 C ATOM 294 O SER A 19 2.829 4.308 -7.899 1.00 0.00 O ATOM 295 CB SER A 19 4.711 2.621 -5.986 1.00 0.00 C ATOM 296 OG SER A 19 4.022 2.507 -4.761 1.00 0.00 O ATOM 0 H SER A 19 5.201 4.583 -4.511 1.00 0.00 H new ATOM 0 HA SER A 19 5.294 4.176 -7.411 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.229 1.993 -6.736 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.729 2.251 -5.868 1.00 0.00 H new ATOM 0 HG SER A 19 4.522 1.918 -4.158 1.00 0.00 H new ATOM 302 N ARG A 20 2.668 5.243 -5.852 1.00 0.00 N ATOM 303 CA ARG A 20 1.387 5.985 -5.956 1.00 0.00 C ATOM 304 C ARG A 20 0.131 5.155 -6.292 1.00 0.00 C ATOM 305 O ARG A 20 -0.956 5.715 -6.442 1.00 0.00 O ATOM 306 CB ARG A 20 1.573 7.240 -6.835 1.00 0.00 C ATOM 307 CG ARG A 20 2.707 8.125 -6.284 1.00 0.00 C ATOM 308 CD ARG A 20 2.882 9.434 -7.055 1.00 0.00 C ATOM 309 NE ARG A 20 4.019 10.186 -6.500 1.00 0.00 N ATOM 310 CZ ARG A 20 4.478 11.362 -6.874 1.00 0.00 C ATOM 311 NH1 ARG A 20 3.935 12.050 -7.837 1.00 0.00 N ATOM 312 NH2 ARG A 20 5.512 11.870 -6.269 1.00 0.00 N ATOM 0 H ARG A 20 3.055 5.319 -4.911 1.00 0.00 H new ATOM 0 HA ARG A 20 1.147 6.303 -4.941 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.801 6.943 -7.859 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.644 7.809 -6.868 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.505 8.352 -5.237 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.642 7.566 -6.314 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.052 9.226 -8.111 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.972 10.030 -6.990 1.00 0.00 H new ATOM 0 HE ARG A 20 4.514 9.740 -5.728 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.123 11.681 -8.332 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.322 12.958 -8.096 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.962 11.358 -5.510 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.873 12.781 -6.554 1.00 0.00 H new ATOM 326 N THR A 21 0.262 3.831 -6.383 1.00 0.00 N ATOM 327 CA THR A 21 -0.843 2.852 -6.462 1.00 0.00 C ATOM 328 C THR A 21 -1.557 2.740 -5.096 1.00 0.00 C ATOM 329 O THR A 21 -1.085 3.298 -4.102 1.00 0.00 O ATOM 330 CB THR A 21 -0.286 1.482 -6.893 1.00 0.00 C ATOM 331 OG1 THR A 21 -1.342 0.581 -7.151 1.00 0.00 O ATOM 332 CG2 THR A 21 0.619 0.889 -5.814 1.00 0.00 C ATOM 0 H THR A 21 1.178 3.384 -6.405 1.00 0.00 H new ATOM 0 HA THR A 21 -1.570 3.189 -7.201 1.00 0.00 H new ATOM 0 HB THR A 21 0.298 1.637 -7.800 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.974 -0.285 -7.425 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.997 -0.078 -6.147 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.456 1.562 -5.631 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.050 0.759 -4.893 1.00 0.00 H new ATOM 340 N ILE A 22 -2.658 1.985 -4.998 1.00 0.00 N ATOM 341 CA ILE A 22 -3.293 1.623 -3.725 1.00 0.00 C ATOM 342 C ILE A 22 -3.263 0.102 -3.632 1.00 0.00 C ATOM 343 O ILE A 22 -3.889 -0.590 -4.436 1.00 0.00 O ATOM 344 CB ILE A 22 -4.720 2.191 -3.598 1.00 0.00 C ATOM 345 CG1 ILE A 22 -4.730 3.735 -3.718 1.00 0.00 C ATOM 346 CG2 ILE A 22 -5.345 1.759 -2.257 1.00 0.00 C ATOM 347 CD1 ILE A 22 -6.131 4.357 -3.766 1.00 0.00 C ATOM 0 H ILE A 22 -3.139 1.603 -5.812 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.747 2.064 -2.891 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.314 1.789 -4.419 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.187 4.157 -2.872 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.188 4.021 -4.619 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.353 2.166 -2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.388 0.671 -2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.736 2.134 -1.434 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.045 5.440 -3.850 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.673 3.968 -4.628 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.672 4.106 -2.854 1.00 0.00 H new ATOM 359 N PHE A 23 -2.540 -0.407 -2.642 1.00 0.00 N ATOM 360 CA PHE A 23 -2.465 -1.825 -2.285 1.00 0.00 C ATOM 361 C PHE A 23 -3.102 -2.086 -0.934 1.00 0.00 C ATOM 362 O PHE A 23 -3.411 -1.176 -0.171 1.00 0.00 O ATOM 363 CB PHE A 23 -1.027 -2.408 -2.377 1.00 0.00 C ATOM 364 CG PHE A 23 0.125 -1.426 -2.308 1.00 0.00 C ATOM 365 CD1 PHE A 23 0.260 -0.572 -1.213 1.00 0.00 C ATOM 366 CD2 PHE A 23 1.064 -1.358 -3.341 1.00 0.00 C ATOM 367 CE1 PHE A 23 1.261 0.417 -1.192 1.00 0.00 C ATOM 368 CE2 PHE A 23 2.085 -0.397 -3.326 1.00 0.00 C ATOM 369 CZ PHE A 23 2.177 0.505 -2.254 1.00 0.00 C ATOM 0 H PHE A 23 -1.964 0.179 -2.038 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.044 -2.363 -3.036 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.903 -3.131 -1.570 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.945 -2.959 -3.314 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.411 -0.671 -0.372 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.002 -2.056 -4.163 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.325 1.106 -0.363 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.798 -0.351 -4.136 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.947 1.262 -2.246 1.00 0.00 H new ATOM 379 N GLU A 24 -3.350 -3.358 -0.653 1.00 0.00 N ATOM 380 CA GLU A 24 -3.895 -3.735 0.642 1.00 0.00 C ATOM 381 C GLU A 24 -2.777 -3.649 1.701 1.00 0.00 C ATOM 382 O GLU A 24 -1.661 -4.122 1.460 1.00 0.00 O ATOM 383 CB GLU A 24 -4.652 -5.064 0.559 1.00 0.00 C ATOM 384 CG GLU A 24 -4.906 -5.721 1.920 1.00 0.00 C ATOM 385 CD GLU A 24 -5.816 -6.945 1.776 1.00 0.00 C ATOM 386 OE1 GLU A 24 -6.981 -6.780 1.350 1.00 0.00 O ATOM 387 OE2 GLU A 24 -5.386 -8.078 2.091 1.00 0.00 O ATOM 0 H GLU A 24 -3.185 -4.135 -1.293 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.663 -3.034 0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.608 -4.896 0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.086 -5.754 -0.067 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.958 -6.019 2.367 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.365 -5.000 2.596 1.00 0.00 H new ATOM 394 N LYS A 25 -3.056 -3.053 2.872 1.00 0.00 N ATOM 395 CA LYS A 25 -2.103 -2.817 3.968 1.00 0.00 C ATOM 396 C LYS A 25 -1.411 -4.118 4.339 1.00 0.00 C ATOM 397 O LYS A 25 -0.196 -4.148 4.515 1.00 0.00 O ATOM 398 CB LYS A 25 -2.808 -2.190 5.186 1.00 0.00 C ATOM 399 CG LYS A 25 -1.789 -1.860 6.292 1.00 0.00 C ATOM 400 CD LYS A 25 -2.408 -1.022 7.418 1.00 0.00 C ATOM 401 CE LYS A 25 -1.359 -0.776 8.507 1.00 0.00 C ATOM 402 NZ LYS A 25 -1.891 0.089 9.593 1.00 0.00 N ATOM 0 H LYS A 25 -3.991 -2.708 3.089 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.347 -2.108 3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.331 -1.283 4.883 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.561 -2.878 5.571 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.393 -2.787 6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.948 -1.319 5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.768 -0.072 7.023 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.270 -1.539 7.839 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.037 -1.730 8.925 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.479 -0.308 8.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.116 0.360 10.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.314 0.944 9.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.615 -0.431 10.128 1.00 0.00 H new ATOM 416 N SER A 26 -2.191 -5.198 4.379 1.00 0.00 N ATOM 417 CA SER A 26 -1.700 -6.532 4.721 1.00 0.00 C ATOM 418 C SER A 26 -0.636 -7.056 3.743 1.00 0.00 C ATOM 419 O SER A 26 0.325 -7.704 4.164 1.00 0.00 O ATOM 420 CB SER A 26 -2.857 -7.534 4.803 1.00 0.00 C ATOM 421 OG SER A 26 -3.881 -7.041 5.655 1.00 0.00 O ATOM 0 H SER A 26 -3.190 -5.171 4.173 1.00 0.00 H new ATOM 0 HA SER A 26 -1.224 -6.434 5.697 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.260 -7.715 3.807 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.492 -8.490 5.178 1.00 0.00 H new ATOM 0 HG SER A 26 -4.613 -7.691 5.696 1.00 0.00 H new ATOM 427 N LEU A 27 -0.777 -6.765 2.443 1.00 0.00 N ATOM 428 CA LEU A 27 0.159 -7.213 1.405 1.00 0.00 C ATOM 429 C LEU A 27 1.453 -6.392 1.453 1.00 0.00 C ATOM 430 O LEU A 27 2.547 -6.951 1.349 1.00 0.00 O ATOM 431 CB LEU A 27 -0.435 -7.103 -0.013 1.00 0.00 C ATOM 432 CG LEU A 27 -1.913 -7.446 -0.217 1.00 0.00 C ATOM 433 CD1 LEU A 27 -2.287 -7.169 -1.661 1.00 0.00 C ATOM 434 CD2 LEU A 27 -2.285 -8.872 0.169 1.00 0.00 C ATOM 0 H LEU A 27 -1.550 -6.208 2.080 1.00 0.00 H new ATOM 0 HA LEU A 27 0.365 -8.263 1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.282 -6.080 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.148 -7.751 -0.667 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.483 -6.811 0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.338 -7.410 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.119 -6.115 -1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.672 -7.782 -2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.349 -9.031 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.709 -9.574 -0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.064 -9.033 1.224 1.00 0.00 H new ATOM 446 N LEU A 28 1.333 -5.069 1.618 1.00 0.00 N ATOM 447 CA LEU A 28 2.501 -4.193 1.718 1.00 0.00 C ATOM 448 C LEU A 28 3.289 -4.518 2.988 1.00 0.00 C ATOM 449 O LEU A 28 4.499 -4.679 2.915 1.00 0.00 O ATOM 450 CB LEU A 28 2.121 -2.709 1.667 1.00 0.00 C ATOM 451 CG LEU A 28 3.381 -1.813 1.566 1.00 0.00 C ATOM 452 CD1 LEU A 28 4.005 -1.834 0.171 1.00 0.00 C ATOM 453 CD2 LEU A 28 3.005 -0.392 1.953 1.00 0.00 C ATOM 0 H LEU A 28 0.438 -4.584 1.685 1.00 0.00 H new ATOM 0 HA LEU A 28 3.133 -4.380 0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.472 -2.526 0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.554 -2.445 2.560 1.00 0.00 H new ATOM 0 HG LEU A 28 4.133 -2.208 2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.884 -1.190 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.298 -2.853 -0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.279 -1.474 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.885 0.248 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.234 -0.022 1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.626 -0.381 2.975 1.00 0.00 H new ATOM 465 N GLU A 29 2.610 -4.679 4.128 1.00 0.00 N ATOM 466 CA GLU A 29 3.222 -5.070 5.405 1.00 0.00 C ATOM 467 C GLU A 29 4.044 -6.363 5.272 1.00 0.00 C ATOM 468 O GLU A 29 5.171 -6.435 5.763 1.00 0.00 O ATOM 469 CB GLU A 29 2.134 -5.195 6.486 1.00 0.00 C ATOM 470 CG GLU A 29 2.707 -5.472 7.881 1.00 0.00 C ATOM 471 CD GLU A 29 1.588 -5.495 8.940 1.00 0.00 C ATOM 472 OE1 GLU A 29 1.266 -4.426 9.511 1.00 0.00 O ATOM 473 OE2 GLU A 29 1.029 -6.585 9.214 1.00 0.00 O ATOM 0 H GLU A 29 1.602 -4.539 4.192 1.00 0.00 H new ATOM 0 HA GLU A 29 3.922 -4.291 5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.550 -4.275 6.515 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.449 -5.998 6.214 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.232 -6.427 7.880 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.439 -4.706 8.136 1.00 0.00 H new ATOM 480 N GLN A 30 3.526 -7.356 4.538 1.00 0.00 N ATOM 481 CA GLN A 30 4.266 -8.581 4.216 1.00 0.00 C ATOM 482 C GLN A 30 5.545 -8.281 3.417 1.00 0.00 C ATOM 483 O GLN A 30 6.641 -8.688 3.801 1.00 0.00 O ATOM 484 CB GLN A 30 3.346 -9.544 3.444 1.00 0.00 C ATOM 485 CG GLN A 30 3.863 -10.990 3.406 1.00 0.00 C ATOM 486 CD GLN A 30 3.777 -11.679 4.766 1.00 0.00 C ATOM 487 OE1 GLN A 30 4.737 -11.756 5.522 1.00 0.00 O ATOM 488 NE2 GLN A 30 2.628 -12.204 5.140 1.00 0.00 N ATOM 0 H GLN A 30 2.582 -7.332 4.151 1.00 0.00 H new ATOM 0 HA GLN A 30 4.580 -9.051 5.148 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.357 -9.533 3.901 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.230 -9.182 2.423 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.286 -11.559 2.677 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.899 -10.993 3.066 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.817 -12.149 4.523 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.549 -12.665 6.046 1.00 0.00 H new ATOM 497 N TYR A 31 5.415 -7.543 2.311 1.00 0.00 N ATOM 498 CA TYR A 31 6.499 -7.278 1.362 1.00 0.00 C ATOM 499 C TYR A 31 7.600 -6.400 1.974 1.00 0.00 C ATOM 500 O TYR A 31 8.797 -6.594 1.750 1.00 0.00 O ATOM 501 CB TYR A 31 5.878 -6.626 0.118 1.00 0.00 C ATOM 502 CG TYR A 31 6.804 -6.508 -1.077 1.00 0.00 C ATOM 503 CD1 TYR A 31 7.321 -7.670 -1.681 1.00 0.00 C ATOM 504 CD2 TYR A 31 7.127 -5.249 -1.607 1.00 0.00 C ATOM 505 CE1 TYR A 31 8.126 -7.577 -2.835 1.00 0.00 C ATOM 506 CE2 TYR A 31 7.974 -5.158 -2.726 1.00 0.00 C ATOM 507 CZ TYR A 31 8.469 -6.315 -3.353 1.00 0.00 C ATOM 508 OH TYR A 31 9.270 -6.202 -4.448 1.00 0.00 O ATOM 0 H TYR A 31 4.534 -7.104 2.045 1.00 0.00 H new ATOM 0 HA TYR A 31 6.989 -8.213 1.091 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.002 -7.204 -0.177 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.527 -5.629 0.386 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.100 -8.639 -1.258 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.726 -4.353 -1.157 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.479 -8.474 -3.321 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.248 -4.186 -3.109 1.00 0.00 H new ATOM 0 HH TYR A 31 9.398 -5.255 -4.663 1.00 0.00 H new ATOM 518 N VAL A 32 7.196 -5.452 2.818 1.00 0.00 N ATOM 519 CA VAL A 32 8.079 -4.445 3.412 1.00 0.00 C ATOM 520 C VAL A 32 8.790 -4.947 4.686 1.00 0.00 C ATOM 521 O VAL A 32 9.822 -4.412 5.085 1.00 0.00 O ATOM 522 CB VAL A 32 7.254 -3.161 3.658 1.00 0.00 C ATOM 523 CG1 VAL A 32 6.439 -3.213 4.954 1.00 0.00 C ATOM 524 CG2 VAL A 32 8.087 -1.889 3.721 1.00 0.00 C ATOM 0 H VAL A 32 6.225 -5.359 3.115 1.00 0.00 H new ATOM 0 HA VAL A 32 8.890 -4.227 2.717 1.00 0.00 H new ATOM 0 HB VAL A 32 6.598 -3.127 2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.882 -2.284 5.071 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.743 -4.051 4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.112 -3.342 5.802 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.433 -1.034 3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.809 -1.967 4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.616 -1.754 2.778 1.00 0.00 H new ATOM 534 N LYS A 33 8.279 -6.011 5.314 1.00 0.00 N ATOM 535 CA LYS A 33 8.977 -6.741 6.395 1.00 0.00 C ATOM 536 C LYS A 33 9.824 -7.896 5.841 1.00 0.00 C ATOM 537 O LYS A 33 10.709 -8.403 6.531 1.00 0.00 O ATOM 538 CB LYS A 33 8.012 -7.157 7.521 1.00 0.00 C ATOM 539 CG LYS A 33 7.223 -8.453 7.275 1.00 0.00 C ATOM 540 CD LYS A 33 6.210 -8.687 8.408 1.00 0.00 C ATOM 541 CE LYS A 33 5.308 -9.902 8.158 1.00 0.00 C ATOM 542 NZ LYS A 33 6.063 -11.181 8.148 1.00 0.00 N ATOM 0 H LYS A 33 7.362 -6.398 5.090 1.00 0.00 H new ATOM 0 HA LYS A 33 9.685 -6.056 6.862 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.584 -7.270 8.442 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.302 -6.346 7.685 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.702 -8.393 6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.909 -9.298 7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.747 -8.826 9.346 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.590 -7.798 8.524 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.539 -9.944 8.930 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.796 -9.779 7.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.880 -11.685 7.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.081 -10.984 8.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.758 -11.771 8.949 1.00 0.00 H new ATOM 556 N ASP A 34 9.589 -8.272 4.582 1.00 0.00 N ATOM 557 CA ASP A 34 10.413 -9.198 3.799 1.00 0.00 C ATOM 558 C ASP A 34 11.735 -8.530 3.390 1.00 0.00 C ATOM 559 O ASP A 34 12.818 -9.002 3.744 1.00 0.00 O ATOM 560 CB ASP A 34 9.656 -9.660 2.536 1.00 0.00 C ATOM 561 CG ASP A 34 9.350 -11.170 2.533 1.00 0.00 C ATOM 562 OD1 ASP A 34 10.273 -11.979 2.794 1.00 0.00 O ATOM 563 OD2 ASP A 34 8.197 -11.561 2.231 1.00 0.00 O ATOM 0 H ASP A 34 8.786 -7.925 4.057 1.00 0.00 H new ATOM 0 HA ASP A 34 10.630 -10.066 4.422 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.721 -9.106 2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.248 -9.414 1.654 1.00 0.00 H new ATOM 568 N THR A 35 11.634 -7.428 2.639 1.00 0.00 N ATOM 569 CA THR A 35 12.775 -6.724 2.023 1.00 0.00 C ATOM 570 C THR A 35 12.678 -5.206 2.144 1.00 0.00 C ATOM 571 O THR A 35 13.685 -4.506 2.000 1.00 0.00 O ATOM 572 CB THR A 35 12.936 -7.103 0.541 1.00 0.00 C ATOM 573 OG1 THR A 35 11.768 -6.754 -0.176 1.00 0.00 O ATOM 574 CG2 THR A 35 13.209 -8.589 0.313 1.00 0.00 C ATOM 0 H THR A 35 10.737 -6.987 2.435 1.00 0.00 H new ATOM 0 HA THR A 35 13.652 -7.049 2.582 1.00 0.00 H new ATOM 0 HB THR A 35 13.805 -6.549 0.186 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.951 -5.974 -0.740 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.311 -8.781 -0.755 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.130 -8.872 0.822 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.381 -9.176 0.710 1.00 0.00 H new ATOM 582 N GLY A 36 11.491 -4.679 2.450 1.00 0.00 N ATOM 583 CA GLY A 36 11.233 -3.253 2.622 1.00 0.00 C ATOM 584 C GLY A 36 10.973 -2.507 1.316 1.00 0.00 C ATOM 585 O GLY A 36 10.458 -1.396 1.338 1.00 0.00 O ATOM 0 H GLY A 36 10.659 -5.253 2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.372 -3.127 3.278 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.086 -2.798 3.125 1.00 0.00 H new ATOM 589 N ASN A 37 11.301 -3.087 0.170 1.00 0.00 N ATOM 590 CA ASN A 37 11.238 -2.391 -1.117 1.00 0.00 C ATOM 591 C ASN A 37 9.783 -2.066 -1.514 1.00 0.00 C ATOM 592 O ASN A 37 8.860 -2.790 -1.151 1.00 0.00 O ATOM 593 CB ASN A 37 11.936 -3.284 -2.160 1.00 0.00 C ATOM 594 CG ASN A 37 13.394 -3.572 -1.825 1.00 0.00 C ATOM 595 OD1 ASN A 37 13.750 -4.646 -1.374 1.00 0.00 O ATOM 596 ND2 ASN A 37 14.300 -2.646 -2.031 1.00 0.00 N ATOM 0 H ASN A 37 11.619 -4.054 0.101 1.00 0.00 H new ATOM 0 HA ASN A 37 11.747 -1.429 -1.054 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.396 -4.227 -2.241 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.883 -2.801 -3.136 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.279 -2.833 -1.814 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.026 -1.739 -2.408 1.00 0.00 H new ATOM 603 N ASP A 38 9.551 -0.971 -2.241 1.00 0.00 N ATOM 604 CA ASP A 38 8.242 -0.714 -2.872 1.00 0.00 C ATOM 605 C ASP A 38 8.040 -1.722 -4.030 1.00 0.00 C ATOM 606 O ASP A 38 8.998 -2.018 -4.747 1.00 0.00 O ATOM 607 CB ASP A 38 8.154 0.727 -3.416 1.00 0.00 C ATOM 608 CG ASP A 38 7.089 1.544 -2.680 1.00 0.00 C ATOM 609 OD1 ASP A 38 7.368 2.044 -1.565 1.00 0.00 O ATOM 610 OD2 ASP A 38 5.977 1.695 -3.230 1.00 0.00 O ATOM 0 H ASP A 38 10.247 -0.245 -2.411 1.00 0.00 H new ATOM 0 HA ASP A 38 7.461 -0.836 -2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.123 1.215 -3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.922 0.701 -4.481 1.00 0.00 H new ATOM 615 N PRO A 39 6.826 -2.236 -4.294 1.00 0.00 N ATOM 616 CA PRO A 39 6.597 -3.305 -5.284 1.00 0.00 C ATOM 617 C PRO A 39 6.804 -2.878 -6.754 1.00 0.00 C ATOM 618 O PRO A 39 6.696 -3.719 -7.649 1.00 0.00 O ATOM 619 CB PRO A 39 5.162 -3.771 -5.023 1.00 0.00 C ATOM 620 CG PRO A 39 4.488 -2.519 -4.473 1.00 0.00 C ATOM 621 CD PRO A 39 5.584 -1.890 -3.621 1.00 0.00 C ATOM 0 HA PRO A 39 7.334 -4.098 -5.159 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.679 -4.121 -5.935 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.129 -4.594 -4.309 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.163 -1.851 -5.271 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.605 -2.762 -3.881 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.460 -0.809 -3.552 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.565 -2.279 -2.603 1.00 0.00 H new ATOM 629 N ILE A 40 7.071 -1.591 -7.022 1.00 0.00 N ATOM 630 CA ILE A 40 7.135 -0.992 -8.371 1.00 0.00 C ATOM 631 C ILE A 40 8.483 -0.293 -8.595 1.00 0.00 C ATOM 632 O ILE A 40 9.163 -0.578 -9.583 1.00 0.00 O ATOM 633 CB ILE A 40 5.925 -0.051 -8.578 1.00 0.00 C ATOM 634 CG1 ILE A 40 4.625 -0.873 -8.751 1.00 0.00 C ATOM 635 CG2 ILE A 40 6.094 0.878 -9.795 1.00 0.00 C ATOM 636 CD1 ILE A 40 3.372 -0.101 -8.326 1.00 0.00 C ATOM 0 H ILE A 40 7.255 -0.912 -6.283 1.00 0.00 H new ATOM 0 HA ILE A 40 7.072 -1.776 -9.125 1.00 0.00 H new ATOM 0 HB ILE A 40 5.864 0.572 -7.686 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.526 -1.171 -9.795 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.699 -1.788 -8.164 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.215 1.515 -9.891 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.979 1.499 -9.659 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.207 0.278 -10.698 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.492 -0.728 -8.470 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.453 0.174 -7.274 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.278 0.801 -8.931 1.00 0.00 H new ATOM 648 N THR A 41 8.892 0.604 -7.687 1.00 0.00 N ATOM 649 CA THR A 41 10.184 1.312 -7.798 1.00 0.00 C ATOM 650 C THR A 41 11.355 0.522 -7.210 1.00 0.00 C ATOM 651 O THR A 41 12.511 0.845 -7.483 1.00 0.00 O ATOM 652 CB THR A 41 10.162 2.692 -7.134 1.00 0.00 C ATOM 653 OG1 THR A 41 9.831 2.532 -5.781 1.00 0.00 O ATOM 654 CG2 THR A 41 9.132 3.639 -7.749 1.00 0.00 C ATOM 0 H THR A 41 8.348 0.860 -6.863 1.00 0.00 H new ATOM 0 HA THR A 41 10.333 1.426 -8.872 1.00 0.00 H new ATOM 0 HB THR A 41 11.151 3.129 -7.276 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.815 3.408 -5.342 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.167 4.599 -7.234 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.358 3.786 -8.805 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.136 3.209 -7.647 1.00 0.00 H new ATOM 662 N ASN A 42 11.065 -0.517 -6.415 1.00 0.00 N ATOM 663 CA ASN A 42 11.979 -1.285 -5.559 1.00 0.00 C ATOM 664 C ASN A 42 12.883 -0.429 -4.658 1.00 0.00 C ATOM 665 O ASN A 42 13.913 -0.888 -4.165 1.00 0.00 O ATOM 666 CB ASN A 42 12.624 -2.482 -6.291 1.00 0.00 C ATOM 667 CG ASN A 42 14.061 -2.311 -6.779 1.00 0.00 C ATOM 668 OD1 ASN A 42 14.909 -3.171 -6.571 1.00 0.00 O ATOM 669 ND2 ASN A 42 14.390 -1.244 -7.469 1.00 0.00 N ATOM 0 H ASN A 42 10.110 -0.870 -6.349 1.00 0.00 H new ATOM 0 HA ASN A 42 11.363 -1.774 -4.804 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.595 -3.342 -5.622 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.002 -2.726 -7.152 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.340 -1.139 -7.824 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.695 -0.520 -7.650 1.00 0.00 H new ATOM 676 N GLU A 43 12.480 0.809 -4.380 1.00 0.00 N ATOM 677 CA GLU A 43 13.207 1.679 -3.447 1.00 0.00 C ATOM 678 C GLU A 43 12.964 1.207 -2.000 1.00 0.00 C ATOM 679 O GLU A 43 11.804 0.963 -1.641 1.00 0.00 O ATOM 680 CB GLU A 43 12.759 3.123 -3.659 1.00 0.00 C ATOM 681 CG GLU A 43 13.203 3.673 -5.024 1.00 0.00 C ATOM 682 CD GLU A 43 14.238 4.805 -4.880 1.00 0.00 C ATOM 683 OE1 GLU A 43 15.434 4.511 -4.635 1.00 0.00 O ATOM 684 OE2 GLU A 43 13.865 5.996 -5.011 1.00 0.00 O ATOM 0 H GLU A 43 11.649 1.238 -4.788 1.00 0.00 H new ATOM 0 HA GLU A 43 14.280 1.626 -3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.673 3.180 -3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 43 13.168 3.749 -2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.629 2.865 -5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.333 4.044 -5.566 1.00 0.00 H new ATOM 691 N PRO A 44 14.008 1.035 -1.167 1.00 0.00 N ATOM 692 CA PRO A 44 13.897 0.389 0.144 1.00 0.00 C ATOM 693 C PRO A 44 13.103 1.210 1.172 1.00 0.00 C ATOM 694 O PRO A 44 13.256 2.429 1.271 1.00 0.00 O ATOM 695 CB PRO A 44 15.341 0.147 0.602 1.00 0.00 C ATOM 696 CG PRO A 44 16.135 1.237 -0.113 1.00 0.00 C ATOM 697 CD PRO A 44 15.398 1.375 -1.445 1.00 0.00 C ATOM 0 HA PRO A 44 13.330 -0.538 0.061 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.436 0.227 1.685 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.688 -0.848 0.324 1.00 0.00 H new ATOM 0 HG2 PRO A 44 16.135 2.172 0.448 1.00 0.00 H new ATOM 0 HG3 PRO A 44 17.177 0.951 -0.255 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.482 2.389 -1.835 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.821 0.708 -2.197 1.00 0.00 H new ATOM 705 N LEU A 45 12.306 0.490 1.971 1.00 0.00 N ATOM 706 CA LEU A 45 11.354 0.934 3.011 1.00 0.00 C ATOM 707 C LEU A 45 10.155 1.727 2.457 1.00 0.00 C ATOM 708 O LEU A 45 10.293 2.648 1.654 1.00 0.00 O ATOM 709 CB LEU A 45 12.072 1.603 4.198 1.00 0.00 C ATOM 710 CG LEU A 45 12.898 0.596 5.026 1.00 0.00 C ATOM 711 CD1 LEU A 45 13.913 1.339 5.898 1.00 0.00 C ATOM 712 CD2 LEU A 45 12.013 -0.247 5.949 1.00 0.00 C ATOM 0 H LEU A 45 12.308 -0.528 1.902 1.00 0.00 H new ATOM 0 HA LEU A 45 10.893 0.033 3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.729 2.389 3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.335 2.082 4.843 1.00 0.00 H new ATOM 0 HG LEU A 45 13.401 -0.060 4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.490 0.619 6.478 1.00 0.00 H new ATOM 0 HD12 LEU A 45 14.585 1.916 5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.387 2.012 6.575 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.634 -0.942 6.513 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.481 0.407 6.640 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.293 -0.806 5.352 1.00 0.00 H new ATOM 724 N SER A 46 8.953 1.350 2.908 1.00 0.00 N ATOM 725 CA SER A 46 7.648 1.788 2.382 1.00 0.00 C ATOM 726 C SER A 46 6.712 2.226 3.505 1.00 0.00 C ATOM 727 O SER A 46 6.150 3.315 3.479 1.00 0.00 O ATOM 728 CB SER A 46 7.006 0.659 1.568 1.00 0.00 C ATOM 729 OG SER A 46 6.104 1.182 0.617 1.00 0.00 O ATOM 0 H SER A 46 8.855 0.700 3.688 1.00 0.00 H new ATOM 0 HA SER A 46 7.817 2.649 1.735 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.781 0.082 1.063 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.482 -0.025 2.236 1.00 0.00 H new ATOM 0 HG SER A 46 6.602 1.661 -0.078 1.00 0.00 H new ATOM 735 N ILE A 47 6.610 1.399 4.549 1.00 0.00 N ATOM 736 CA ILE A 47 5.890 1.669 5.795 1.00 0.00 C ATOM 737 C ILE A 47 6.401 2.892 6.571 1.00 0.00 C ATOM 738 O ILE A 47 5.617 3.656 7.127 1.00 0.00 O ATOM 739 CB ILE A 47 5.838 0.380 6.648 1.00 0.00 C ATOM 740 CG1 ILE A 47 4.767 0.414 7.755 1.00 0.00 C ATOM 741 CG2 ILE A 47 7.206 0.023 7.259 1.00 0.00 C ATOM 742 CD1 ILE A 47 3.347 0.410 7.181 1.00 0.00 C ATOM 0 H ILE A 47 7.049 0.478 4.547 1.00 0.00 H new ATOM 0 HA ILE A 47 4.872 1.954 5.530 1.00 0.00 H new ATOM 0 HB ILE A 47 5.554 -0.401 5.942 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.895 -0.448 8.410 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.908 1.304 8.368 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.114 -0.890 7.848 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.932 -0.132 6.461 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.541 0.837 7.901 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.625 0.435 7.997 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.208 1.286 6.547 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.196 -0.493 6.590 1.00 0.00 H new ATOM 754 N GLU A 48 7.703 3.157 6.493 1.00 0.00 N ATOM 755 CA GLU A 48 8.351 4.373 6.996 1.00 0.00 C ATOM 756 C GLU A 48 7.965 5.620 6.175 1.00 0.00 C ATOM 757 O GLU A 48 8.283 6.747 6.557 1.00 0.00 O ATOM 758 CB GLU A 48 9.880 4.187 6.989 1.00 0.00 C ATOM 759 CG GLU A 48 10.375 3.072 7.923 1.00 0.00 C ATOM 760 CD GLU A 48 10.098 3.387 9.406 1.00 0.00 C ATOM 761 OE1 GLU A 48 10.855 4.185 10.011 1.00 0.00 O ATOM 762 OE2 GLU A 48 9.131 2.834 9.983 1.00 0.00 O ATOM 0 H GLU A 48 8.363 2.509 6.063 1.00 0.00 H new ATOM 0 HA GLU A 48 8.003 4.537 8.016 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.205 3.967 5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.352 5.126 7.278 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.888 2.134 7.656 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.446 2.928 7.778 1.00 0.00 H new ATOM 769 N GLU A 49 7.253 5.427 5.058 1.00 0.00 N ATOM 770 CA GLU A 49 6.804 6.475 4.125 1.00 0.00 C ATOM 771 C GLU A 49 5.288 6.416 3.856 1.00 0.00 C ATOM 772 O GLU A 49 4.766 7.131 3.000 1.00 0.00 O ATOM 773 CB GLU A 49 7.602 6.367 2.806 1.00 0.00 C ATOM 774 CG GLU A 49 9.130 6.499 2.948 1.00 0.00 C ATOM 775 CD GLU A 49 9.601 7.861 3.507 1.00 0.00 C ATOM 776 OE1 GLU A 49 8.933 8.899 3.277 1.00 0.00 O ATOM 777 OE2 GLU A 49 10.686 7.911 4.138 1.00 0.00 O ATOM 0 H GLU A 49 6.960 4.495 4.764 1.00 0.00 H new ATOM 0 HA GLU A 49 6.996 7.442 4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.378 5.406 2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.249 7.140 2.123 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.492 5.706 3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.589 6.342 1.972 1.00 0.00 H new ATOM 784 N ILE A 50 4.574 5.562 4.595 1.00 0.00 N ATOM 785 CA ILE A 50 3.181 5.186 4.359 1.00 0.00 C ATOM 786 C ILE A 50 2.177 6.345 4.359 1.00 0.00 C ATOM 787 O ILE A 50 2.233 7.279 5.166 1.00 0.00 O ATOM 788 CB ILE A 50 2.785 4.074 5.357 1.00 0.00 C ATOM 789 CG1 ILE A 50 1.642 3.180 4.850 1.00 0.00 C ATOM 790 CG2 ILE A 50 2.458 4.596 6.765 1.00 0.00 C ATOM 791 CD1 ILE A 50 2.113 2.250 3.728 1.00 0.00 C ATOM 0 H ILE A 50 4.971 5.094 5.410 1.00 0.00 H new ATOM 0 HA ILE A 50 3.128 4.814 3.336 1.00 0.00 H new ATOM 0 HB ILE A 50 3.683 3.461 5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.249 2.586 5.676 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.824 3.803 4.488 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.189 3.759 7.410 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.330 5.105 7.176 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.623 5.294 6.709 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.280 1.632 3.393 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.482 2.845 2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.913 1.610 4.098 1.00 0.00 H new ATOM 803 N VAL A 51 1.213 6.222 3.451 1.00 0.00 N ATOM 804 CA VAL A 51 -0.007 7.032 3.331 1.00 0.00 C ATOM 805 C VAL A 51 -1.203 6.080 3.408 1.00 0.00 C ATOM 806 O VAL A 51 -1.624 5.512 2.400 1.00 0.00 O ATOM 807 CB VAL A 51 -0.005 7.874 2.037 1.00 0.00 C ATOM 808 CG1 VAL A 51 -1.268 8.739 1.922 1.00 0.00 C ATOM 809 CG2 VAL A 51 1.205 8.815 1.969 1.00 0.00 C ATOM 0 H VAL A 51 1.262 5.505 2.727 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.065 7.755 4.144 1.00 0.00 H new ATOM 0 HB VAL A 51 0.035 7.155 1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.230 9.317 0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.149 8.097 1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.323 9.418 2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.168 9.389 1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.184 9.496 2.819 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.124 8.229 1.996 1.00 0.00 H new ATOM 819 N GLU A 52 -1.716 5.816 4.611 1.00 0.00 N ATOM 820 CA GLU A 52 -2.843 4.886 4.767 1.00 0.00 C ATOM 821 C GLU A 52 -4.180 5.502 4.323 1.00 0.00 C ATOM 822 O GLU A 52 -4.445 6.685 4.557 1.00 0.00 O ATOM 823 CB GLU A 52 -2.959 4.304 6.185 1.00 0.00 C ATOM 824 CG GLU A 52 -1.633 3.965 6.885 1.00 0.00 C ATOM 825 CD GLU A 52 -1.881 3.255 8.227 1.00 0.00 C ATOM 826 OE1 GLU A 52 -2.800 2.403 8.307 1.00 0.00 O ATOM 827 OE2 GLU A 52 -1.146 3.509 9.209 1.00 0.00 O ATOM 0 H GLU A 52 -1.377 6.225 5.482 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.617 4.056 4.098 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.503 5.017 6.805 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.563 3.398 6.136 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.030 3.327 6.239 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.063 4.879 7.053 1.00 0.00 H new ATOM 834 N ILE A 53 -5.026 4.694 3.678 1.00 0.00 N ATOM 835 CA ILE A 53 -6.306 5.109 3.083 1.00 0.00 C ATOM 836 C ILE A 53 -7.476 4.618 3.955 1.00 0.00 C ATOM 837 O ILE A 53 -7.437 3.515 4.509 1.00 0.00 O ATOM 838 CB ILE A 53 -6.399 4.575 1.636 1.00 0.00 C ATOM 839 CG1 ILE A 53 -5.165 4.886 0.753 1.00 0.00 C ATOM 840 CG2 ILE A 53 -7.680 5.044 0.925 1.00 0.00 C ATOM 841 CD1 ILE A 53 -4.836 6.376 0.575 1.00 0.00 C ATOM 0 H ILE A 53 -4.836 3.700 3.550 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.363 6.197 3.044 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.430 3.492 1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.296 4.389 1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.325 4.447 -0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.701 4.644 -0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.552 4.688 1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.696 6.133 0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.956 6.481 -0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.682 6.882 0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.637 6.823 1.549 1.00 0.00 H new