USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 533 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 38 ASN : amide:sc= 1.74 K(o=2.2,f=-0.18) USER MOD Set 1.2: A 51 TYR OH : rot 143:sc= 0.5 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -152:sc= 0.85 (180deg=-1.11!) USER MOD Single : A 18 ASN : amide:sc= -1.61! K(o=-1.6!,f=-0.38) USER MOD Single : A 19 THR OG1 : rot 25:sc= 0.628 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.013) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -165:sc= -0.0178 (180deg=-0.225) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc=-0.00468 X(o=-0.0047,f=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.391 X(o=-0.39,f=0.099) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -156:sc= 1.65 USER MOD Single : A 68 LYS NZ :NH3+ 168:sc= 1.34 (180deg=1.13) USER MOD Single : A 71 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 72 TYR OH : rot 30:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 162:sc= -0.0532 (180deg=-0.358) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 6 -9.793 2.189 2.261 1.00 0.00 N ATOM 24 CA LEU A 6 -8.647 3.034 2.560 1.00 0.00 C ATOM 25 C LEU A 6 -7.379 2.355 2.033 1.00 0.00 C ATOM 26 O LEU A 6 -6.409 3.015 1.657 1.00 0.00 O ATOM 27 CB LEU A 6 -8.558 3.271 4.078 1.00 0.00 C ATOM 28 CG LEU A 6 -7.877 4.574 4.526 1.00 0.00 C ATOM 29 CD1 LEU A 6 -6.374 4.527 4.302 1.00 0.00 C ATOM 30 CD2 LEU A 6 -8.484 5.759 3.794 1.00 0.00 C ATOM 0 HA LEU A 6 -8.756 4.003 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.569 3.255 4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.021 2.434 4.524 1.00 0.00 H new ATOM 0 HG LEU A 6 -8.047 4.689 5.597 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.928 5.466 4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.947 3.702 4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.169 4.379 3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.994 6.677 4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.344 5.634 2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.549 5.818 4.017 1.00 0.00 H new ATOM 42 N ARG A 7 -7.418 1.020 1.983 1.00 0.00 N ATOM 43 CA ARG A 7 -6.319 0.232 1.429 1.00 0.00 C ATOM 44 C ARG A 7 -6.042 0.673 -0.004 1.00 0.00 C ATOM 45 O ARG A 7 -4.893 0.760 -0.432 1.00 0.00 O ATOM 46 CB ARG A 7 -6.656 -1.265 1.447 1.00 0.00 C ATOM 47 CG ARG A 7 -7.055 -1.801 2.814 1.00 0.00 C ATOM 48 CD ARG A 7 -7.307 -3.304 2.765 1.00 0.00 C ATOM 49 NE ARG A 7 -7.904 -3.799 4.006 1.00 0.00 N ATOM 50 CZ ARG A 7 -8.408 -5.025 4.156 1.00 0.00 C ATOM 51 NH1 ARG A 7 -8.286 -5.924 3.184 1.00 0.00 N ATOM 52 NH2 ARG A 7 -9.033 -5.357 5.280 1.00 0.00 N ATOM 0 H ARG A 7 -8.203 0.463 2.321 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.434 0.397 2.044 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.469 -1.451 0.745 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -5.792 -1.824 1.089 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.268 -1.585 3.536 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.954 -1.290 3.160 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.966 -3.534 1.928 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.367 -3.824 2.582 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.937 -3.167 4.806 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.805 -5.678 2.319 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.673 -6.860 3.304 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.129 -4.674 6.031 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.417 -6.295 5.392 1.00 0.00 H new ATOM 66 N TYR A 8 -7.116 0.972 -0.725 1.00 0.00 N ATOM 67 CA TYR A 8 -7.032 1.437 -2.103 1.00 0.00 C ATOM 68 C TYR A 8 -6.233 2.731 -2.200 1.00 0.00 C ATOM 69 O TYR A 8 -5.391 2.884 -3.085 1.00 0.00 O ATOM 70 CB TYR A 8 -8.442 1.645 -2.656 1.00 0.00 C ATOM 71 CG TYR A 8 -8.498 2.394 -3.969 1.00 0.00 C ATOM 72 CD1 TYR A 8 -7.970 1.854 -5.133 1.00 0.00 C ATOM 73 CD2 TYR A 8 -9.089 3.646 -4.038 1.00 0.00 C ATOM 74 CE1 TYR A 8 -8.030 2.541 -6.327 1.00 0.00 C ATOM 75 CE2 TYR A 8 -9.155 4.337 -5.226 1.00 0.00 C ATOM 76 CZ TYR A 8 -8.626 3.782 -6.368 1.00 0.00 C ATOM 77 OH TYR A 8 -8.695 4.471 -7.558 1.00 0.00 O ATOM 0 H TYR A 8 -8.069 0.899 -0.370 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.515 0.681 -2.694 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.914 0.671 -2.788 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.032 2.188 -1.917 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -7.505 0.880 -5.103 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.505 4.087 -3.144 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.612 2.109 -7.224 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.620 5.311 -5.262 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.147 5.329 -7.414 1.00 0.00 H new ATOM 87 N ALA A 9 -6.501 3.652 -1.282 1.00 0.00 N ATOM 88 CA ALA A 9 -5.806 4.933 -1.253 1.00 0.00 C ATOM 89 C ALA A 9 -4.305 4.729 -1.122 1.00 0.00 C ATOM 90 O ALA A 9 -3.516 5.411 -1.773 1.00 0.00 O ATOM 91 CB ALA A 9 -6.318 5.788 -0.109 1.00 0.00 C ATOM 0 H ALA A 9 -7.197 3.535 -0.546 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.004 5.448 -2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.789 6.741 -0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.385 5.967 -0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.148 5.271 0.836 1.00 0.00 H new ATOM 97 N ILE A 10 -3.923 3.780 -0.284 1.00 0.00 N ATOM 98 CA ILE A 10 -2.518 3.452 -0.094 1.00 0.00 C ATOM 99 C ILE A 10 -1.944 2.791 -1.348 1.00 0.00 C ATOM 100 O ILE A 10 -0.900 3.203 -1.856 1.00 0.00 O ATOM 101 CB ILE A 10 -2.315 2.519 1.117 1.00 0.00 C ATOM 102 CG1 ILE A 10 -2.949 3.134 2.368 1.00 0.00 C ATOM 103 CG2 ILE A 10 -0.831 2.249 1.341 1.00 0.00 C ATOM 104 CD1 ILE A 10 -2.854 2.252 3.592 1.00 0.00 C ATOM 0 H ILE A 10 -4.566 3.222 0.277 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.990 4.387 0.096 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.805 1.567 0.912 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.464 4.087 2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.998 3.348 2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.707 1.589 2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.410 1.775 0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.314 3.190 1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.324 2.753 4.439 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.364 1.308 3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.806 2.059 3.821 1.00 0.00 H new ATOM 116 N LEU A 11 -2.648 1.783 -1.854 1.00 0.00 N ATOM 117 CA LEU A 11 -2.185 1.029 -3.015 1.00 0.00 C ATOM 118 C LEU A 11 -2.039 1.909 -4.256 1.00 0.00 C ATOM 119 O LEU A 11 -1.106 1.727 -5.035 1.00 0.00 O ATOM 120 CB LEU A 11 -3.120 -0.145 -3.320 1.00 0.00 C ATOM 121 CG LEU A 11 -2.710 -1.492 -2.709 1.00 0.00 C ATOM 122 CD1 LEU A 11 -2.774 -1.451 -1.192 1.00 0.00 C ATOM 123 CD2 LEU A 11 -3.588 -2.613 -3.241 1.00 0.00 C ATOM 0 H LEU A 11 -3.543 1.469 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.198 0.643 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.119 0.107 -2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.187 -0.262 -4.402 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.678 -1.686 -3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.478 -2.420 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.098 -0.681 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.792 -1.223 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.280 -3.559 -2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.629 -2.413 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.486 -2.672 -4.325 1.00 0.00 H new ATOM 135 N LYS A 12 -2.940 2.869 -4.445 1.00 0.00 N ATOM 136 CA LYS A 12 -2.872 3.722 -5.629 1.00 0.00 C ATOM 137 C LYS A 12 -1.676 4.671 -5.552 1.00 0.00 C ATOM 138 O LYS A 12 -1.166 5.125 -6.577 1.00 0.00 O ATOM 139 CB LYS A 12 -4.190 4.485 -5.864 1.00 0.00 C ATOM 140 CG LYS A 12 -4.570 5.498 -4.791 1.00 0.00 C ATOM 141 CD LYS A 12 -3.953 6.861 -5.060 1.00 0.00 C ATOM 142 CE LYS A 12 -4.372 7.886 -4.020 1.00 0.00 C ATOM 143 NZ LYS A 12 -3.723 9.201 -4.258 1.00 0.00 N ATOM 0 H LYS A 12 -3.711 3.074 -3.809 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.726 3.073 -6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.122 5.005 -6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.998 3.758 -5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.655 5.592 -4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.242 5.136 -3.817 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.867 6.773 -5.066 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.251 7.206 -6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.455 8.005 -4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.110 7.525 -3.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.624 9.708 -3.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.783 9.053 -4.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.307 9.764 -4.908 1.00 0.00 H new ATOM 157 N GLU A 13 -1.215 4.956 -4.339 1.00 0.00 N ATOM 158 CA GLU A 13 -0.011 5.759 -4.159 1.00 0.00 C ATOM 159 C GLU A 13 1.216 4.922 -4.489 1.00 0.00 C ATOM 160 O GLU A 13 2.165 5.402 -5.107 1.00 0.00 O ATOM 161 CB GLU A 13 0.088 6.287 -2.725 1.00 0.00 C ATOM 162 CG GLU A 13 -1.023 7.250 -2.345 1.00 0.00 C ATOM 163 CD GLU A 13 -0.970 8.553 -3.116 1.00 0.00 C ATOM 164 OE1 GLU A 13 -1.097 8.527 -4.360 1.00 0.00 O ATOM 165 OE2 GLU A 13 -0.850 9.616 -2.482 1.00 0.00 O ATOM 0 H GLU A 13 -1.653 4.646 -3.472 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.062 6.614 -4.833 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.075 5.443 -2.036 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.048 6.787 -2.598 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.986 6.771 -2.519 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.961 7.463 -1.278 1.00 0.00 H new ATOM 172 N ILE A 14 1.179 3.661 -4.089 1.00 0.00 N ATOM 173 CA ILE A 14 2.267 2.732 -4.368 1.00 0.00 C ATOM 174 C ILE A 14 2.324 2.404 -5.859 1.00 0.00 C ATOM 175 O ILE A 14 3.393 2.390 -6.463 1.00 0.00 O ATOM 176 CB ILE A 14 2.109 1.424 -3.561 1.00 0.00 C ATOM 177 CG1 ILE A 14 2.055 1.730 -2.062 1.00 0.00 C ATOM 178 CG2 ILE A 14 3.250 0.460 -3.870 1.00 0.00 C ATOM 179 CD1 ILE A 14 1.791 0.513 -1.202 1.00 0.00 C ATOM 0 H ILE A 14 0.403 3.254 -3.567 1.00 0.00 H new ATOM 0 HA ILE A 14 3.196 3.217 -4.068 1.00 0.00 H new ATOM 0 HB ILE A 14 1.173 0.948 -3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.000 2.181 -1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.275 2.469 -1.879 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.120 -0.455 -3.292 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.246 0.221 -4.933 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.200 0.924 -3.606 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.767 0.807 -0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.832 0.073 -1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.584 -0.220 -1.355 1.00 0.00 H new ATOM 191 N PHE A 15 1.164 2.162 -6.450 1.00 0.00 N ATOM 192 CA PHE A 15 1.077 1.779 -7.854 1.00 0.00 C ATOM 193 C PHE A 15 1.397 2.947 -8.783 1.00 0.00 C ATOM 194 O PHE A 15 2.229 2.827 -9.682 1.00 0.00 O ATOM 195 CB PHE A 15 -0.325 1.244 -8.161 1.00 0.00 C ATOM 196 CG PHE A 15 -0.543 0.897 -9.607 1.00 0.00 C ATOM 197 CD1 PHE A 15 -0.114 -0.318 -10.112 1.00 0.00 C ATOM 198 CD2 PHE A 15 -1.180 1.788 -10.458 1.00 0.00 C ATOM 199 CE1 PHE A 15 -0.315 -0.641 -11.439 1.00 0.00 C ATOM 200 CE2 PHE A 15 -1.385 1.469 -11.786 1.00 0.00 C ATOM 201 CZ PHE A 15 -0.951 0.253 -12.276 1.00 0.00 C ATOM 0 H PHE A 15 0.263 2.224 -5.976 1.00 0.00 H new ATOM 0 HA PHE A 15 1.819 1.000 -8.031 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.505 0.357 -7.554 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.061 1.990 -7.862 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.384 -1.021 -9.461 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.519 2.741 -10.078 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.025 -1.592 -11.822 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.884 2.169 -12.440 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.109 0.002 -13.314 1.00 0.00 H new ATOM 211 N GLU A 16 0.746 4.081 -8.555 1.00 0.00 N ATOM 212 CA GLU A 16 0.870 5.220 -9.455 1.00 0.00 C ATOM 213 C GLU A 16 2.120 6.036 -9.130 1.00 0.00 C ATOM 214 O GLU A 16 2.838 6.475 -10.030 1.00 0.00 O ATOM 215 CB GLU A 16 -0.392 6.084 -9.354 1.00 0.00 C ATOM 216 CG GLU A 16 -0.433 7.259 -10.315 1.00 0.00 C ATOM 217 CD GLU A 16 -0.317 6.839 -11.767 1.00 0.00 C ATOM 218 OE1 GLU A 16 -1.319 6.353 -12.333 1.00 0.00 O ATOM 219 OE2 GLU A 16 0.776 6.999 -12.352 1.00 0.00 O ATOM 0 H GLU A 16 0.129 4.236 -7.758 1.00 0.00 H new ATOM 0 HA GLU A 16 0.973 4.859 -10.478 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.263 5.454 -9.534 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.477 6.462 -8.335 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.366 7.805 -10.174 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.378 7.946 -10.075 1.00 0.00 H new ATOM 226 N GLY A 17 2.397 6.204 -7.844 1.00 0.00 N ATOM 227 CA GLY A 17 3.575 6.940 -7.430 1.00 0.00 C ATOM 228 C GLY A 17 4.828 6.100 -7.560 1.00 0.00 C ATOM 229 O GLY A 17 5.923 6.631 -7.740 1.00 0.00 O ATOM 0 H GLY A 17 1.826 5.843 -7.079 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.675 7.840 -8.036 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.458 7.264 -6.396 1.00 0.00 H new ATOM 233 N ASN A 18 4.648 4.781 -7.466 1.00 0.00 N ATOM 234 CA ASN A 18 5.741 3.812 -7.603 1.00 0.00 C ATOM 235 C ASN A 18 6.754 3.979 -6.471 1.00 0.00 C ATOM 236 O ASN A 18 7.921 3.616 -6.611 1.00 0.00 O ATOM 237 CB ASN A 18 6.413 3.949 -8.976 1.00 0.00 C ATOM 238 CG ASN A 18 7.346 2.793 -9.311 1.00 0.00 C ATOM 239 OD1 ASN A 18 8.333 2.968 -10.028 1.00 0.00 O ATOM 240 ND2 ASN A 18 7.035 1.602 -8.816 1.00 0.00 N ATOM 0 H ASN A 18 3.739 4.352 -7.292 1.00 0.00 H new ATOM 0 HA ASN A 18 5.325 2.807 -7.532 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.643 4.019 -9.744 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.977 4.881 -9.005 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.621 0.794 -9.026 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.210 1.495 -8.226 1.00 0.00 H new ATOM 247 N THR A 19 6.267 4.508 -5.342 1.00 0.00 N ATOM 248 CA THR A 19 7.062 4.752 -4.128 1.00 0.00 C ATOM 249 C THR A 19 8.287 5.650 -4.372 1.00 0.00 C ATOM 250 O THR A 19 8.763 5.800 -5.497 1.00 0.00 O ATOM 251 CB THR A 19 7.480 3.436 -3.413 1.00 0.00 C ATOM 252 OG1 THR A 19 8.020 2.476 -4.328 1.00 0.00 O ATOM 253 CG2 THR A 19 6.290 2.827 -2.691 1.00 0.00 C ATOM 0 H THR A 19 5.290 4.785 -5.243 1.00 0.00 H new ATOM 0 HA THR A 19 6.394 5.297 -3.461 1.00 0.00 H new ATOM 0 HB THR A 19 8.258 3.695 -2.695 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.382 2.939 -5.112 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.598 1.906 -2.195 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.915 3.532 -1.948 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.502 2.606 -3.411 1.00 0.00 H new ATOM 261 N PRO A 20 8.791 6.310 -3.319 1.00 0.00 N ATOM 262 CA PRO A 20 8.212 6.256 -1.976 1.00 0.00 C ATOM 263 C PRO A 20 7.052 7.238 -1.802 1.00 0.00 C ATOM 264 O PRO A 20 6.776 8.053 -2.683 1.00 0.00 O ATOM 265 CB PRO A 20 9.387 6.662 -1.092 1.00 0.00 C ATOM 266 CG PRO A 20 10.180 7.603 -1.931 1.00 0.00 C ATOM 267 CD PRO A 20 9.992 7.165 -3.362 1.00 0.00 C ATOM 0 HA PRO A 20 7.790 5.278 -1.744 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.046 7.140 -0.174 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.980 5.796 -0.799 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.839 8.629 -1.791 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.234 7.577 -1.653 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.851 8.018 -4.025 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.860 6.616 -3.729 1.00 0.00 H new ATOM 275 N LEU A 21 6.378 7.148 -0.665 1.00 0.00 N ATOM 276 CA LEU A 21 5.307 8.073 -0.323 1.00 0.00 C ATOM 277 C LEU A 21 5.276 8.281 1.182 1.00 0.00 C ATOM 278 O LEU A 21 5.419 7.324 1.945 1.00 0.00 O ATOM 279 CB LEU A 21 3.945 7.556 -0.807 1.00 0.00 C ATOM 280 CG LEU A 21 3.526 6.192 -0.248 1.00 0.00 C ATOM 281 CD1 LEU A 21 2.075 6.224 0.218 1.00 0.00 C ATOM 282 CD2 LEU A 21 3.719 5.109 -1.300 1.00 0.00 C ATOM 0 H LEU A 21 6.556 6.436 0.043 1.00 0.00 H new ATOM 0 HA LEU A 21 5.502 9.022 -0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.182 8.288 -0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.964 7.494 -1.895 1.00 0.00 H new ATOM 0 HG LEU A 21 4.157 5.964 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.797 5.246 0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.960 6.975 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.428 6.474 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.418 4.145 -0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.109 5.338 -2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.769 5.067 -1.591 1.00 0.00 H new ATOM 294 N SER A 22 5.123 9.523 1.606 1.00 0.00 N ATOM 295 CA SER A 22 5.054 9.833 3.021 1.00 0.00 C ATOM 296 C SER A 22 3.625 9.667 3.535 1.00 0.00 C ATOM 297 O SER A 22 2.681 9.552 2.747 1.00 0.00 O ATOM 298 CB SER A 22 5.551 11.260 3.274 1.00 0.00 C ATOM 299 OG SER A 22 6.824 11.469 2.683 1.00 0.00 O ATOM 0 H SER A 22 5.044 10.332 0.990 1.00 0.00 H new ATOM 0 HA SER A 22 5.697 9.138 3.562 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.836 11.975 2.867 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.610 11.443 4.347 1.00 0.00 H new ATOM 0 HG SER A 22 7.119 12.387 2.857 1.00 0.00 H new ATOM 305 N GLU A 23 3.476 9.656 4.851 1.00 0.00 N ATOM 306 CA GLU A 23 2.170 9.561 5.493 1.00 0.00 C ATOM 307 C GLU A 23 1.252 10.676 4.992 1.00 0.00 C ATOM 308 O GLU A 23 0.080 10.455 4.689 1.00 0.00 O ATOM 309 CB GLU A 23 2.303 9.664 7.022 1.00 0.00 C ATOM 310 CG GLU A 23 3.458 8.867 7.621 1.00 0.00 C ATOM 311 CD GLU A 23 4.803 9.562 7.467 1.00 0.00 C ATOM 312 OE1 GLU A 23 5.152 10.387 8.332 1.00 0.00 O ATOM 313 OE2 GLU A 23 5.508 9.300 6.471 1.00 0.00 O ATOM 0 H GLU A 23 4.256 9.713 5.506 1.00 0.00 H new ATOM 0 HA GLU A 23 1.741 8.592 5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.426 10.713 7.292 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.372 9.325 7.477 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.263 8.695 8.680 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.504 7.889 7.142 1.00 0.00 H new ATOM 320 N ASN A 24 1.814 11.873 4.883 1.00 0.00 N ATOM 321 CA ASN A 24 1.056 13.047 4.472 1.00 0.00 C ATOM 322 C ASN A 24 0.654 12.960 2.998 1.00 0.00 C ATOM 323 O ASN A 24 -0.309 13.599 2.575 1.00 0.00 O ATOM 324 CB ASN A 24 1.873 14.316 4.720 1.00 0.00 C ATOM 325 CG ASN A 24 1.056 15.588 4.568 1.00 0.00 C ATOM 326 OD1 ASN A 24 1.567 16.615 4.120 1.00 0.00 O ATOM 327 ND2 ASN A 24 -0.209 15.540 4.957 1.00 0.00 N ATOM 0 H ASN A 24 2.799 12.056 5.075 1.00 0.00 H new ATOM 0 HA ASN A 24 0.145 13.085 5.069 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.294 14.279 5.725 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.711 14.344 4.024 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.795 16.372 4.890 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.597 14.671 5.323 1.00 0.00 H new ATOM 334 N ASP A 25 1.392 12.166 2.222 1.00 0.00 N ATOM 335 CA ASP A 25 1.084 11.991 0.802 1.00 0.00 C ATOM 336 C ASP A 25 -0.195 11.192 0.630 1.00 0.00 C ATOM 337 O ASP A 25 -1.099 11.603 -0.098 1.00 0.00 O ATOM 338 CB ASP A 25 2.228 11.291 0.056 1.00 0.00 C ATOM 339 CG ASP A 25 3.396 12.213 -0.231 1.00 0.00 C ATOM 340 OD1 ASP A 25 3.261 13.097 -1.105 1.00 0.00 O ATOM 341 OD2 ASP A 25 4.456 12.052 0.412 1.00 0.00 O ATOM 0 H ASP A 25 2.201 11.638 2.549 1.00 0.00 H new ATOM 0 HA ASP A 25 0.954 12.985 0.375 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.577 10.445 0.648 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.850 10.889 -0.884 1.00 0.00 H new ATOM 346 N ILE A 26 -0.277 10.056 1.317 1.00 0.00 N ATOM 347 CA ILE A 26 -1.458 9.211 1.240 1.00 0.00 C ATOM 348 C ILE A 26 -2.637 9.895 1.946 1.00 0.00 C ATOM 349 O ILE A 26 -3.769 9.848 1.460 1.00 0.00 O ATOM 350 CB ILE A 26 -1.171 7.786 1.808 1.00 0.00 C ATOM 351 CG1 ILE A 26 -2.338 6.815 1.547 1.00 0.00 C ATOM 352 CG2 ILE A 26 -0.834 7.834 3.292 1.00 0.00 C ATOM 353 CD1 ILE A 26 -3.498 6.927 2.521 1.00 0.00 C ATOM 0 H ILE A 26 0.458 9.703 1.930 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.730 9.075 0.193 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.300 7.406 1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.713 6.985 0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.955 5.795 1.577 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.640 6.824 3.654 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.052 8.450 3.444 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.672 8.262 3.842 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.268 6.203 2.254 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.145 6.725 3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.914 7.933 2.477 1.00 0.00 H new ATOM 365 N GLY A 27 -2.363 10.559 3.068 1.00 0.00 N ATOM 366 CA GLY A 27 -3.395 11.342 3.724 1.00 0.00 C ATOM 367 C GLY A 27 -3.670 10.916 5.156 1.00 0.00 C ATOM 368 O GLY A 27 -4.488 11.533 5.842 1.00 0.00 O ATOM 0 H GLY A 27 -1.454 10.568 3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.101 12.392 3.717 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.317 11.265 3.148 1.00 0.00 H new ATOM 372 N VAL A 28 -2.995 9.873 5.619 1.00 0.00 N ATOM 373 CA VAL A 28 -3.215 9.370 6.972 1.00 0.00 C ATOM 374 C VAL A 28 -1.957 9.522 7.818 1.00 0.00 C ATOM 375 O VAL A 28 -0.861 9.685 7.288 1.00 0.00 O ATOM 376 CB VAL A 28 -3.648 7.885 6.979 1.00 0.00 C ATOM 377 CG1 VAL A 28 -4.957 7.701 6.227 1.00 0.00 C ATOM 378 CG2 VAL A 28 -2.559 6.997 6.391 1.00 0.00 C ATOM 0 H VAL A 28 -2.295 9.360 5.084 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.022 9.967 7.397 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.805 7.585 8.015 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.242 6.649 6.245 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.737 8.296 6.702 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.832 8.025 5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.888 5.958 6.408 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.360 7.298 5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.649 7.098 6.982 1.00 0.00 H new ATOM 388 N THR A 29 -2.129 9.475 9.133 1.00 0.00 N ATOM 389 CA THR A 29 -1.004 9.512 10.056 1.00 0.00 C ATOM 390 C THR A 29 -0.203 8.220 9.990 1.00 0.00 C ATOM 391 O THR A 29 -0.710 7.181 9.552 1.00 0.00 O ATOM 392 CB THR A 29 -1.468 9.756 11.514 1.00 0.00 C ATOM 393 OG1 THR A 29 -0.434 9.395 12.439 1.00 0.00 O ATOM 394 CG2 THR A 29 -2.735 8.971 11.834 1.00 0.00 C ATOM 0 H THR A 29 -3.041 9.411 9.585 1.00 0.00 H new ATOM 0 HA THR A 29 -0.370 10.344 9.750 1.00 0.00 H new ATOM 0 HB THR A 29 -1.686 10.819 11.613 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.743 9.557 13.355 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.033 9.165 12.864 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.534 9.280 11.161 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.545 7.905 11.706 1.00 0.00 H new ATOM 402 N GLU A 30 1.038 8.294 10.452 1.00 0.00 N ATOM 403 CA GLU A 30 1.943 7.151 10.446 1.00 0.00 C ATOM 404 C GLU A 30 1.379 6.003 11.276 1.00 0.00 C ATOM 405 O GLU A 30 1.639 4.839 10.988 1.00 0.00 O ATOM 406 CB GLU A 30 3.320 7.552 10.981 1.00 0.00 C ATOM 407 CG GLU A 30 3.280 8.164 12.370 1.00 0.00 C ATOM 408 CD GLU A 30 4.660 8.459 12.908 1.00 0.00 C ATOM 409 OE1 GLU A 30 5.166 9.576 12.678 1.00 0.00 O ATOM 410 OE2 GLU A 30 5.248 7.578 13.565 1.00 0.00 O ATOM 0 H GLU A 30 1.445 9.145 10.840 1.00 0.00 H new ATOM 0 HA GLU A 30 2.048 6.814 9.415 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.963 6.672 11.000 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.774 8.265 10.292 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.699 9.086 12.341 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.766 7.484 13.049 1.00 0.00 H new ATOM 417 N ASP A 31 0.595 6.339 12.298 1.00 0.00 N ATOM 418 CA ASP A 31 -0.034 5.330 13.145 1.00 0.00 C ATOM 419 C ASP A 31 -0.920 4.412 12.316 1.00 0.00 C ATOM 420 O ASP A 31 -0.778 3.188 12.365 1.00 0.00 O ATOM 421 CB ASP A 31 -0.860 5.981 14.259 1.00 0.00 C ATOM 422 CG ASP A 31 0.003 6.593 15.342 1.00 0.00 C ATOM 423 OD1 ASP A 31 0.565 5.832 16.156 1.00 0.00 O ATOM 424 OD2 ASP A 31 0.117 7.838 15.395 1.00 0.00 O ATOM 0 H ASP A 31 0.381 7.301 12.559 1.00 0.00 H new ATOM 0 HA ASP A 31 0.760 4.740 13.603 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.499 6.753 13.829 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.518 5.234 14.703 1.00 0.00 H new ATOM 429 N GLN A 32 -1.816 5.008 11.542 1.00 0.00 N ATOM 430 CA GLN A 32 -2.709 4.246 10.677 1.00 0.00 C ATOM 431 C GLN A 32 -1.962 3.710 9.461 1.00 0.00 C ATOM 432 O GLN A 32 -2.250 2.615 8.979 1.00 0.00 O ATOM 433 CB GLN A 32 -3.893 5.105 10.231 1.00 0.00 C ATOM 434 CG GLN A 32 -4.912 5.358 11.330 1.00 0.00 C ATOM 435 CD GLN A 32 -6.112 6.139 10.838 1.00 0.00 C ATOM 436 OE1 GLN A 32 -7.091 5.563 10.362 1.00 0.00 O ATOM 437 NE2 GLN A 32 -6.056 7.453 10.968 1.00 0.00 N ATOM 0 H GLN A 32 -1.945 6.019 11.495 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.088 3.400 11.250 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.519 6.062 9.867 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.390 4.617 9.393 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.246 4.404 11.738 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.436 5.904 12.144 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.226 7.891 11.368 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.843 8.029 10.669 1.00 0.00 H new ATOM 446 N PHE A 33 -1.006 4.494 8.972 1.00 0.00 N ATOM 447 CA PHE A 33 -0.183 4.099 7.834 1.00 0.00 C ATOM 448 C PHE A 33 0.545 2.790 8.137 1.00 0.00 C ATOM 449 O PHE A 33 0.405 1.809 7.408 1.00 0.00 O ATOM 450 CB PHE A 33 0.823 5.213 7.515 1.00 0.00 C ATOM 451 CG PHE A 33 1.645 4.980 6.279 1.00 0.00 C ATOM 452 CD1 PHE A 33 1.085 5.127 5.021 1.00 0.00 C ATOM 453 CD2 PHE A 33 2.984 4.630 6.376 1.00 0.00 C ATOM 454 CE1 PHE A 33 1.843 4.927 3.882 1.00 0.00 C ATOM 455 CE2 PHE A 33 3.747 4.428 5.241 1.00 0.00 C ATOM 456 CZ PHE A 33 3.176 4.576 3.993 1.00 0.00 C ATOM 0 H PHE A 33 -0.781 5.414 9.350 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.823 3.941 6.966 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.281 6.152 7.403 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.495 5.332 8.365 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.044 5.401 4.929 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.436 4.514 7.350 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.394 5.045 2.907 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.788 4.155 5.331 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.769 4.418 3.105 1.00 0.00 H new ATOM 466 N ASP A 34 1.295 2.785 9.233 1.00 0.00 N ATOM 467 CA ASP A 34 2.031 1.602 9.678 1.00 0.00 C ATOM 468 C ASP A 34 1.096 0.408 9.827 1.00 0.00 C ATOM 469 O ASP A 34 1.363 -0.674 9.304 1.00 0.00 O ATOM 470 CB ASP A 34 2.717 1.894 11.019 1.00 0.00 C ATOM 471 CG ASP A 34 3.496 0.715 11.577 1.00 0.00 C ATOM 472 OD1 ASP A 34 2.870 -0.233 12.089 1.00 0.00 O ATOM 473 OD2 ASP A 34 4.745 0.749 11.540 1.00 0.00 O ATOM 0 H ASP A 34 1.412 3.597 9.839 1.00 0.00 H new ATOM 0 HA ASP A 34 2.784 1.360 8.928 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.394 2.739 10.894 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.962 2.195 11.745 1.00 0.00 H new ATOM 478 N ASP A 35 -0.007 0.626 10.528 1.00 0.00 N ATOM 479 CA ASP A 35 -0.988 -0.425 10.790 1.00 0.00 C ATOM 480 C ASP A 35 -1.514 -1.047 9.495 1.00 0.00 C ATOM 481 O ASP A 35 -1.510 -2.273 9.333 1.00 0.00 O ATOM 482 CB ASP A 35 -2.147 0.149 11.608 1.00 0.00 C ATOM 483 CG ASP A 35 -3.258 -0.853 11.844 1.00 0.00 C ATOM 484 OD1 ASP A 35 -3.082 -1.762 12.684 1.00 0.00 O ATOM 485 OD2 ASP A 35 -4.325 -0.723 11.205 1.00 0.00 O ATOM 0 H ASP A 35 -0.250 1.531 10.931 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.494 -1.216 11.355 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.769 0.497 12.569 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.553 1.019 11.092 1.00 0.00 H new ATOM 490 N ALA A 36 -1.942 -0.201 8.569 1.00 0.00 N ATOM 491 CA ALA A 36 -2.538 -0.670 7.326 1.00 0.00 C ATOM 492 C ALA A 36 -1.500 -1.330 6.420 1.00 0.00 C ATOM 493 O ALA A 36 -1.748 -2.401 5.865 1.00 0.00 O ATOM 494 CB ALA A 36 -3.231 0.476 6.609 1.00 0.00 C ATOM 0 H ALA A 36 -1.888 0.814 8.655 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.281 -1.427 7.574 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.672 0.111 5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.015 0.884 7.248 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.504 1.256 6.383 1.00 0.00 H new ATOM 500 N VAL A 37 -0.334 -0.701 6.283 1.00 0.00 N ATOM 501 CA VAL A 37 0.728 -1.237 5.433 1.00 0.00 C ATOM 502 C VAL A 37 1.172 -2.615 5.921 1.00 0.00 C ATOM 503 O VAL A 37 1.461 -3.501 5.114 1.00 0.00 O ATOM 504 CB VAL A 37 1.945 -0.282 5.361 1.00 0.00 C ATOM 505 CG1 VAL A 37 3.107 -0.923 4.613 1.00 0.00 C ATOM 506 CG2 VAL A 37 1.550 1.022 4.685 1.00 0.00 C ATOM 0 H VAL A 37 -0.101 0.177 6.747 1.00 0.00 H new ATOM 0 HA VAL A 37 0.316 -1.333 4.428 1.00 0.00 H new ATOM 0 HB VAL A 37 2.269 -0.075 6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.946 -0.228 4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.412 -1.835 5.127 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.796 -1.166 3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.414 1.685 4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.198 0.816 3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.754 1.501 5.255 1.00 0.00 H new ATOM 516 N ASN A 38 1.204 -2.799 7.238 1.00 0.00 N ATOM 517 CA ASN A 38 1.523 -4.101 7.813 1.00 0.00 C ATOM 518 C ASN A 38 0.530 -5.151 7.341 1.00 0.00 C ATOM 519 O ASN A 38 0.923 -6.203 6.846 1.00 0.00 O ATOM 520 CB ASN A 38 1.528 -4.048 9.346 1.00 0.00 C ATOM 521 CG ASN A 38 2.903 -3.768 9.918 1.00 0.00 C ATOM 522 OD1 ASN A 38 3.668 -4.688 10.208 1.00 0.00 O ATOM 523 ND2 ASN A 38 3.230 -2.501 10.081 1.00 0.00 N ATOM 0 H ASN A 38 1.014 -2.068 7.923 1.00 0.00 H new ATOM 0 HA ASN A 38 2.523 -4.373 7.474 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.836 -3.275 9.681 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.162 -4.996 9.739 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.145 -2.255 10.459 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.568 -1.767 9.829 1.00 0.00 H new ATOM 530 N PHE A 39 -0.756 -4.850 7.473 1.00 0.00 N ATOM 531 CA PHE A 39 -1.804 -5.787 7.079 1.00 0.00 C ATOM 532 C PHE A 39 -1.747 -6.073 5.580 1.00 0.00 C ATOM 533 O PHE A 39 -1.940 -7.210 5.147 1.00 0.00 O ATOM 534 CB PHE A 39 -3.182 -5.238 7.459 1.00 0.00 C ATOM 535 CG PHE A 39 -4.302 -6.203 7.189 1.00 0.00 C ATOM 536 CD1 PHE A 39 -4.557 -7.250 8.063 1.00 0.00 C ATOM 537 CD2 PHE A 39 -5.094 -6.069 6.060 1.00 0.00 C ATOM 538 CE1 PHE A 39 -5.583 -8.143 7.814 1.00 0.00 C ATOM 539 CE2 PHE A 39 -6.118 -6.960 5.807 1.00 0.00 C ATOM 540 CZ PHE A 39 -6.364 -7.998 6.685 1.00 0.00 C ATOM 0 H PHE A 39 -1.099 -3.966 7.849 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.637 -6.723 7.613 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.183 -4.979 8.518 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.364 -4.317 6.905 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.948 -7.369 8.947 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.908 -5.259 5.370 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.773 -8.953 8.502 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.727 -6.845 4.922 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.166 -8.695 6.488 1.00 0.00 H new ATOM 550 N LEU A 40 -1.468 -5.039 4.796 1.00 0.00 N ATOM 551 CA LEU A 40 -1.369 -5.177 3.347 1.00 0.00 C ATOM 552 C LEU A 40 -0.236 -6.123 2.967 1.00 0.00 C ATOM 553 O LEU A 40 -0.351 -6.903 2.025 1.00 0.00 O ATOM 554 CB LEU A 40 -1.147 -3.808 2.700 1.00 0.00 C ATOM 555 CG LEU A 40 -2.282 -2.802 2.904 1.00 0.00 C ATOM 556 CD1 LEU A 40 -1.896 -1.438 2.356 1.00 0.00 C ATOM 557 CD2 LEU A 40 -3.557 -3.295 2.242 1.00 0.00 C ATOM 0 H LEU A 40 -1.306 -4.093 5.140 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.305 -5.598 2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.227 -3.380 3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.996 -3.949 1.630 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.462 -2.705 3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.717 -0.738 2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.008 -1.076 2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.686 -1.520 1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.353 -2.567 2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.386 -3.423 1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.848 -4.250 2.680 1.00 0.00 H new ATOM 569 N LYS A 41 0.852 -6.050 3.712 1.00 0.00 N ATOM 570 CA LYS A 41 2.002 -6.907 3.475 1.00 0.00 C ATOM 571 C LYS A 41 1.745 -8.312 4.027 1.00 0.00 C ATOM 572 O LYS A 41 2.200 -9.303 3.461 1.00 0.00 O ATOM 573 CB LYS A 41 3.244 -6.282 4.114 1.00 0.00 C ATOM 574 CG LYS A 41 4.525 -7.086 3.942 1.00 0.00 C ATOM 575 CD LYS A 41 5.734 -6.275 4.383 1.00 0.00 C ATOM 576 CE LYS A 41 6.992 -7.126 4.483 1.00 0.00 C ATOM 577 NZ LYS A 41 6.905 -8.112 5.593 1.00 0.00 N ATOM 0 H LYS A 41 0.965 -5.402 4.492 1.00 0.00 H new ATOM 0 HA LYS A 41 2.170 -6.999 2.402 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.394 -5.290 3.688 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.058 -6.146 5.179 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.465 -8.004 4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.639 -7.379 2.898 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.902 -5.463 3.676 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.529 -5.817 5.351 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.151 -7.652 3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.856 -6.480 4.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.852 -8.492 5.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.530 -7.645 6.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.272 -8.890 5.318 1.00 0.00 H new ATOM 591 N ARG A 42 1.000 -8.383 5.127 1.00 0.00 N ATOM 592 CA ARG A 42 0.643 -9.659 5.740 1.00 0.00 C ATOM 593 C ARG A 42 -0.294 -10.462 4.838 1.00 0.00 C ATOM 594 O ARG A 42 -0.074 -11.650 4.598 1.00 0.00 O ATOM 595 CB ARG A 42 -0.015 -9.427 7.105 1.00 0.00 C ATOM 596 CG ARG A 42 0.951 -8.930 8.172 1.00 0.00 C ATOM 597 CD ARG A 42 1.289 -10.017 9.181 1.00 0.00 C ATOM 598 NE ARG A 42 1.728 -11.255 8.540 1.00 0.00 N ATOM 599 CZ ARG A 42 2.989 -11.685 8.524 1.00 0.00 C ATOM 600 NH1 ARG A 42 3.957 -10.945 9.057 1.00 0.00 N ATOM 601 NH2 ARG A 42 3.284 -12.855 7.968 1.00 0.00 N ATOM 0 H ARG A 42 0.630 -7.567 5.614 1.00 0.00 H new ATOM 0 HA ARG A 42 1.559 -10.233 5.877 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.822 -8.703 6.992 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.469 -10.359 7.443 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.867 -8.578 7.697 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.512 -8.077 8.690 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.073 -9.659 9.848 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.414 -10.221 9.798 1.00 0.00 H new ATOM 0 HE ARG A 42 1.023 -11.827 8.075 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.736 -10.044 9.481 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.921 -11.279 9.042 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.545 -13.423 7.554 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.249 -13.185 7.955 1.00 0.00 H new ATOM 615 N GLU A 43 -1.330 -9.810 4.327 1.00 0.00 N ATOM 616 CA GLU A 43 -2.318 -10.485 3.491 1.00 0.00 C ATOM 617 C GLU A 43 -1.873 -10.566 2.033 1.00 0.00 C ATOM 618 O GLU A 43 -2.647 -10.972 1.164 1.00 0.00 O ATOM 619 CB GLU A 43 -3.680 -9.796 3.592 1.00 0.00 C ATOM 620 CG GLU A 43 -4.676 -10.564 4.444 1.00 0.00 C ATOM 621 CD GLU A 43 -4.969 -11.943 3.884 1.00 0.00 C ATOM 622 OE1 GLU A 43 -4.259 -12.905 4.249 1.00 0.00 O ATOM 623 OE2 GLU A 43 -5.911 -12.072 3.072 1.00 0.00 O ATOM 0 H GLU A 43 -1.509 -8.817 4.475 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.410 -11.504 3.866 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.546 -8.799 4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.091 -9.668 2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.286 -10.661 5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.605 -9.997 4.513 1.00 0.00 H new ATOM 630 N GLY A 44 -0.629 -10.186 1.775 1.00 0.00 N ATOM 631 CA GLY A 44 -0.057 -10.352 0.455 1.00 0.00 C ATOM 632 C GLY A 44 -0.718 -9.488 -0.600 1.00 0.00 C ATOM 633 O GLY A 44 -1.097 -9.978 -1.664 1.00 0.00 O ATOM 0 H GLY A 44 -0.003 -9.764 2.461 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.006 -10.114 0.495 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.139 -11.398 0.161 1.00 0.00 H new ATOM 637 N TYR A 45 -0.876 -8.206 -0.310 1.00 0.00 N ATOM 638 CA TYR A 45 -1.346 -7.257 -1.308 1.00 0.00 C ATOM 639 C TYR A 45 -0.149 -6.579 -1.959 1.00 0.00 C ATOM 640 O TYR A 45 -0.120 -6.357 -3.170 1.00 0.00 O ATOM 641 CB TYR A 45 -2.272 -6.208 -0.686 1.00 0.00 C ATOM 642 CG TYR A 45 -3.561 -6.775 -0.133 1.00 0.00 C ATOM 643 CD1 TYR A 45 -4.504 -7.358 -0.973 1.00 0.00 C ATOM 644 CD2 TYR A 45 -3.843 -6.715 1.225 1.00 0.00 C ATOM 645 CE1 TYR A 45 -5.688 -7.865 -0.473 1.00 0.00 C ATOM 646 CE2 TYR A 45 -5.024 -7.222 1.733 1.00 0.00 C ATOM 647 CZ TYR A 45 -5.943 -7.796 0.880 1.00 0.00 C ATOM 648 OH TYR A 45 -7.121 -8.295 1.384 1.00 0.00 O ATOM 0 H TYR A 45 -0.686 -7.799 0.606 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.918 -7.799 -2.061 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.739 -5.697 0.116 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.511 -5.457 -1.439 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.307 -7.415 -2.033 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.127 -6.264 1.896 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.410 -8.313 -1.139 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.226 -7.169 2.793 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.141 -8.168 2.355 1.00 0.00 H new ATOM 658 N ILE A 46 0.846 -6.268 -1.138 1.00 0.00 N ATOM 659 CA ILE A 46 2.098 -5.699 -1.615 1.00 0.00 C ATOM 660 C ILE A 46 3.273 -6.297 -0.851 1.00 0.00 C ATOM 661 O ILE A 46 3.170 -6.577 0.343 1.00 0.00 O ATOM 662 CB ILE A 46 2.125 -4.148 -1.514 1.00 0.00 C ATOM 663 CG1 ILE A 46 1.431 -3.645 -0.237 1.00 0.00 C ATOM 664 CG2 ILE A 46 1.482 -3.519 -2.744 1.00 0.00 C ATOM 665 CD1 ILE A 46 2.261 -3.781 1.020 1.00 0.00 C ATOM 0 H ILE A 46 0.808 -6.403 -0.128 1.00 0.00 H new ATOM 0 HA ILE A 46 2.183 -5.952 -2.672 1.00 0.00 H new ATOM 0 HB ILE A 46 3.171 -3.845 -1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.166 -2.596 -0.371 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.499 -4.195 -0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.511 -2.433 -2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.029 -3.824 -3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.446 -3.849 -2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.696 -3.403 1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.505 -4.831 1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.182 -3.208 0.912 1.00 0.00 H new ATOM 677 N ILE A 47 4.375 -6.521 -1.548 1.00 0.00 N ATOM 678 CA ILE A 47 5.576 -7.063 -0.925 1.00 0.00 C ATOM 679 C ILE A 47 6.784 -6.219 -1.299 1.00 0.00 C ATOM 680 O ILE A 47 6.670 -5.276 -2.079 1.00 0.00 O ATOM 681 CB ILE A 47 5.850 -8.547 -1.300 1.00 0.00 C ATOM 682 CG1 ILE A 47 6.152 -8.715 -2.801 1.00 0.00 C ATOM 683 CG2 ILE A 47 4.679 -9.427 -0.885 1.00 0.00 C ATOM 684 CD1 ILE A 47 4.948 -8.574 -3.709 1.00 0.00 C ATOM 0 H ILE A 47 4.465 -6.336 -2.547 1.00 0.00 H new ATOM 0 HA ILE A 47 5.403 -7.031 0.151 1.00 0.00 H new ATOM 0 HB ILE A 47 6.738 -8.864 -0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.898 -7.976 -3.092 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.597 -9.697 -2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.888 -10.462 -1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.534 -9.355 0.193 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.775 -9.094 -1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.257 -8.708 -4.746 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.207 -9.330 -3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.513 -7.582 -3.585 1.00 0.00 H new ATOM 696 N GLY A 48 7.931 -6.546 -0.731 1.00 0.00 N ATOM 697 CA GLY A 48 9.132 -5.790 -1.018 1.00 0.00 C ATOM 698 C GLY A 48 9.290 -4.617 -0.074 1.00 0.00 C ATOM 699 O GLY A 48 10.188 -3.790 -0.237 1.00 0.00 O ATOM 0 H GLY A 48 8.054 -7.319 -0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.001 -6.442 -0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.099 -5.429 -2.046 1.00 0.00 H new ATOM 703 N VAL A 49 8.404 -4.547 0.912 1.00 0.00 N ATOM 704 CA VAL A 49 8.461 -3.503 1.922 1.00 0.00 C ATOM 705 C VAL A 49 9.571 -3.809 2.918 1.00 0.00 C ATOM 706 O VAL A 49 9.473 -4.752 3.705 1.00 0.00 O ATOM 707 CB VAL A 49 7.117 -3.366 2.670 1.00 0.00 C ATOM 708 CG1 VAL A 49 7.173 -2.232 3.680 1.00 0.00 C ATOM 709 CG2 VAL A 49 5.978 -3.148 1.684 1.00 0.00 C ATOM 0 H VAL A 49 7.634 -5.206 1.032 1.00 0.00 H new ATOM 0 HA VAL A 49 8.666 -2.559 1.417 1.00 0.00 H new ATOM 0 HB VAL A 49 6.933 -4.294 3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.215 -2.155 4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.960 -2.431 4.407 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.384 -1.295 3.164 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.038 -3.054 2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.160 -2.237 1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.919 -3.997 1.003 1.00 0.00 H new ATOM 719 N HIS A 50 10.627 -3.016 2.869 1.00 0.00 N ATOM 720 CA HIS A 50 11.803 -3.266 3.682 1.00 0.00 C ATOM 721 C HIS A 50 11.672 -2.611 5.050 1.00 0.00 C ATOM 722 O HIS A 50 11.689 -1.383 5.171 1.00 0.00 O ATOM 723 CB HIS A 50 13.052 -2.749 2.963 1.00 0.00 C ATOM 724 CG HIS A 50 14.339 -3.112 3.638 1.00 0.00 C ATOM 725 ND1 HIS A 50 15.090 -4.209 3.284 1.00 0.00 N ATOM 726 CD2 HIS A 50 15.012 -2.508 4.647 1.00 0.00 C ATOM 727 CE1 HIS A 50 16.166 -4.267 4.045 1.00 0.00 C ATOM 728 NE2 HIS A 50 16.143 -3.246 4.879 1.00 0.00 N ATOM 0 H HIS A 50 10.694 -2.191 2.273 1.00 0.00 H new ATOM 0 HA HIS A 50 11.895 -4.342 3.832 1.00 0.00 H new ATOM 0 HB2 HIS A 50 13.063 -3.143 1.947 1.00 0.00 H new ATOM 0 HB3 HIS A 50 12.989 -1.664 2.883 1.00 0.00 H new ATOM 0 HD2 HIS A 50 14.713 -1.612 5.171 1.00 0.00 H new ATOM 0 HE1 HIS A 50 16.936 -5.023 3.994 1.00 0.00 H new ATOM 0 HE2 HIS A 50 16.852 -3.039 5.583 1.00 0.00 H new ATOM 737 N TYR A 51 11.537 -3.432 6.075 1.00 0.00 N ATOM 738 CA TYR A 51 11.535 -2.944 7.441 1.00 0.00 C ATOM 739 C TYR A 51 12.958 -2.660 7.883 1.00 0.00 C ATOM 740 O TYR A 51 13.866 -3.442 7.623 1.00 0.00 O ATOM 741 CB TYR A 51 10.891 -3.954 8.396 1.00 0.00 C ATOM 742 CG TYR A 51 9.394 -4.077 8.247 1.00 0.00 C ATOM 743 CD1 TYR A 51 8.833 -4.634 7.107 1.00 0.00 C ATOM 744 CD2 TYR A 51 8.542 -3.638 9.253 1.00 0.00 C ATOM 745 CE1 TYR A 51 7.469 -4.748 6.970 1.00 0.00 C ATOM 746 CE2 TYR A 51 7.174 -3.751 9.124 1.00 0.00 C ATOM 747 CZ TYR A 51 6.644 -4.306 7.979 1.00 0.00 C ATOM 748 OH TYR A 51 5.281 -4.428 7.844 1.00 0.00 O ATOM 0 H TYR A 51 11.427 -4.442 5.987 1.00 0.00 H new ATOM 0 HA TYR A 51 10.946 -2.027 7.472 1.00 0.00 H new ATOM 0 HB2 TYR A 51 11.343 -4.932 8.232 1.00 0.00 H new ATOM 0 HB3 TYR A 51 11.121 -3.665 9.422 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.478 -4.984 6.314 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.958 -3.202 10.149 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.048 -5.182 6.075 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.523 -3.407 9.914 1.00 0.00 H new ATOM 0 HH TYR A 51 4.885 -4.651 8.712 1.00 0.00 H new ATOM 793 N ARG A 55 10.524 0.812 11.493 1.00 0.00 N ATOM 794 CA ARG A 55 9.294 0.987 10.730 1.00 0.00 C ATOM 795 C ARG A 55 9.434 0.346 9.356 1.00 0.00 C ATOM 796 O ARG A 55 10.547 0.030 8.924 1.00 0.00 O ATOM 797 CB ARG A 55 8.990 2.481 10.545 1.00 0.00 C ATOM 798 CG ARG A 55 8.627 3.223 11.821 1.00 0.00 C ATOM 799 CD ARG A 55 7.282 2.780 12.377 1.00 0.00 C ATOM 800 NE ARG A 55 6.854 3.638 13.475 1.00 0.00 N ATOM 801 CZ ARG A 55 5.617 3.676 13.964 1.00 0.00 C ATOM 802 NH1 ARG A 55 4.690 2.846 13.505 1.00 0.00 N ATOM 803 NH2 ARG A 55 5.308 4.544 14.916 1.00 0.00 N ATOM 0 HA ARG A 55 8.482 0.512 11.280 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.860 2.961 10.098 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.169 2.585 9.836 1.00 0.00 H new ATOM 0 HG2 ARG A 55 9.401 3.056 12.570 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.602 4.294 11.622 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.534 2.800 11.584 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.351 1.749 12.724 1.00 0.00 H new ATOM 0 HE ARG A 55 7.551 4.252 13.898 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.924 2.174 12.774 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.743 2.879 13.883 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.018 5.183 15.274 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.360 4.573 15.291 1.00 0.00 H new ATOM 817 N PRO A 56 8.313 0.132 8.657 1.00 0.00 N ATOM 818 CA PRO A 56 8.336 -0.260 7.252 1.00 0.00 C ATOM 819 C PRO A 56 8.693 0.930 6.365 1.00 0.00 C ATOM 820 O PRO A 56 7.866 1.806 6.114 1.00 0.00 O ATOM 821 CB PRO A 56 6.908 -0.730 6.986 1.00 0.00 C ATOM 822 CG PRO A 56 6.067 -0.006 7.983 1.00 0.00 C ATOM 823 CD PRO A 56 6.939 0.233 9.187 1.00 0.00 C ATOM 0 HA PRO A 56 9.079 -1.027 7.037 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.600 -0.496 5.967 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.820 -1.810 7.106 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.705 0.937 7.573 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.190 -0.595 8.251 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.752 1.212 9.628 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.756 -0.507 9.966 1.00 0.00 H new ATOM 831 N HIS A 57 9.937 0.979 5.917 1.00 0.00 N ATOM 832 CA HIS A 57 10.416 2.121 5.152 1.00 0.00 C ATOM 833 C HIS A 57 10.234 1.887 3.662 1.00 0.00 C ATOM 834 O HIS A 57 10.923 1.061 3.063 1.00 0.00 O ATOM 835 CB HIS A 57 11.886 2.419 5.463 1.00 0.00 C ATOM 836 CG HIS A 57 12.114 3.051 6.807 1.00 0.00 C ATOM 837 ND1 HIS A 57 12.315 4.405 6.977 1.00 0.00 N ATOM 838 CD2 HIS A 57 12.183 2.507 8.045 1.00 0.00 C ATOM 839 CE1 HIS A 57 12.498 4.665 8.259 1.00 0.00 C ATOM 840 NE2 HIS A 57 12.422 3.531 8.927 1.00 0.00 N ATOM 0 H HIS A 57 10.631 0.247 6.068 1.00 0.00 H new ATOM 0 HA HIS A 57 9.822 2.986 5.445 1.00 0.00 H new ATOM 0 HB2 HIS A 57 12.453 1.490 5.410 1.00 0.00 H new ATOM 0 HB3 HIS A 57 12.283 3.079 4.691 1.00 0.00 H new ATOM 0 HD2 HIS A 57 12.071 1.462 8.292 1.00 0.00 H new ATOM 0 HE1 HIS A 57 12.679 5.640 8.687 1.00 0.00 H new ATOM 0 HE2 HIS A 57 12.524 3.431 9.937 1.00 0.00 H new ATOM 849 N LEU A 58 9.290 2.607 3.075 1.00 0.00 N ATOM 850 CA LEU A 58 9.052 2.531 1.642 1.00 0.00 C ATOM 851 C LEU A 58 10.121 3.312 0.897 1.00 0.00 C ATOM 852 O LEU A 58 10.168 4.537 0.969 1.00 0.00 O ATOM 853 CB LEU A 58 7.664 3.075 1.293 1.00 0.00 C ATOM 854 CG LEU A 58 6.490 2.312 1.909 1.00 0.00 C ATOM 855 CD1 LEU A 58 5.171 2.955 1.514 1.00 0.00 C ATOM 856 CD2 LEU A 58 6.519 0.852 1.483 1.00 0.00 C ATOM 0 H LEU A 58 8.675 3.252 3.571 1.00 0.00 H new ATOM 0 HA LEU A 58 9.097 1.485 1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.608 4.115 1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.551 3.069 0.209 1.00 0.00 H new ATOM 0 HG LEU A 58 6.584 2.356 2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.347 2.399 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.148 3.986 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.071 2.942 0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.676 0.325 1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.451 0.788 0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.451 0.394 1.815 1.00 0.00 H new ATOM 868 N TYR A 59 10.993 2.594 0.213 1.00 0.00 N ATOM 869 CA TYR A 59 12.065 3.217 -0.544 1.00 0.00 C ATOM 870 C TYR A 59 11.625 3.469 -1.982 1.00 0.00 C ATOM 871 O TYR A 59 10.443 3.360 -2.302 1.00 0.00 O ATOM 872 CB TYR A 59 13.320 2.339 -0.500 1.00 0.00 C ATOM 873 CG TYR A 59 13.837 2.110 0.906 1.00 0.00 C ATOM 874 CD1 TYR A 59 14.335 3.166 1.662 1.00 0.00 C ATOM 875 CD2 TYR A 59 13.815 0.844 1.483 1.00 0.00 C ATOM 876 CE1 TYR A 59 14.796 2.968 2.950 1.00 0.00 C ATOM 877 CE2 TYR A 59 14.278 0.639 2.770 1.00 0.00 C ATOM 878 CZ TYR A 59 14.764 1.704 3.499 1.00 0.00 C ATOM 879 OH TYR A 59 15.212 1.508 4.788 1.00 0.00 O ATOM 0 H TYR A 59 10.980 1.575 0.166 1.00 0.00 H new ATOM 0 HA TYR A 59 12.304 4.180 -0.092 1.00 0.00 H new ATOM 0 HB2 TYR A 59 13.099 1.376 -0.961 1.00 0.00 H new ATOM 0 HB3 TYR A 59 14.103 2.805 -1.097 1.00 0.00 H new ATOM 0 HD1 TYR A 59 14.362 4.158 1.235 1.00 0.00 H new ATOM 0 HD2 TYR A 59 13.430 0.008 0.917 1.00 0.00 H new ATOM 0 HE1 TYR A 59 15.179 3.799 3.523 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.259 -0.351 3.202 1.00 0.00 H new ATOM 0 HH TYR A 59 15.121 0.562 5.025 1.00 0.00 H new ATOM 889 N LYS A 60 12.576 3.805 -2.838 1.00 0.00 N ATOM 890 CA LYS A 60 12.275 4.134 -4.224 1.00 0.00 C ATOM 891 C LYS A 60 11.983 2.868 -5.013 1.00 0.00 C ATOM 892 O LYS A 60 11.027 2.804 -5.784 1.00 0.00 O ATOM 893 CB LYS A 60 13.454 4.868 -4.856 1.00 0.00 C ATOM 894 CG LYS A 60 13.884 6.107 -4.093 1.00 0.00 C ATOM 895 CD LYS A 60 15.198 6.644 -4.626 1.00 0.00 C ATOM 896 CE LYS A 60 15.634 7.896 -3.889 1.00 0.00 C ATOM 897 NZ LYS A 60 16.964 8.374 -4.348 1.00 0.00 N ATOM 0 H LYS A 60 13.566 3.858 -2.598 1.00 0.00 H new ATOM 0 HA LYS A 60 11.396 4.779 -4.245 1.00 0.00 H new ATOM 0 HB2 LYS A 60 14.300 4.184 -4.927 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.189 5.153 -5.874 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.114 6.874 -4.174 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.987 5.869 -3.034 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.969 5.879 -4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 60 15.097 6.864 -5.689 1.00 0.00 H new ATOM 0 HE2 LYS A 60 14.894 8.682 -4.039 1.00 0.00 H new ATOM 0 HE3 LYS A 60 15.671 7.693 -2.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 17.226 9.231 -3.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 17.675 7.634 -4.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 16.923 8.592 -5.364 1.00 0.00 H new ATOM 911 N LEU A 61 12.823 1.867 -4.816 1.00 0.00 N ATOM 912 CA LEU A 61 12.676 0.601 -5.504 1.00 0.00 C ATOM 913 C LEU A 61 12.597 -0.525 -4.488 1.00 0.00 C ATOM 914 O LEU A 61 13.401 -0.584 -3.557 1.00 0.00 O ATOM 915 CB LEU A 61 13.853 0.381 -6.457 1.00 0.00 C ATOM 916 CG LEU A 61 13.709 -0.804 -7.409 1.00 0.00 C ATOM 917 CD1 LEU A 61 12.495 -0.619 -8.307 1.00 0.00 C ATOM 918 CD2 LEU A 61 14.968 -0.968 -8.243 1.00 0.00 C ATOM 0 H LEU A 61 13.619 1.910 -4.180 1.00 0.00 H new ATOM 0 HA LEU A 61 11.757 0.613 -6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.994 1.286 -7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.758 0.242 -5.865 1.00 0.00 H new ATOM 0 HG LEU A 61 13.566 -1.709 -6.818 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.407 -1.472 -8.980 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.597 -0.546 -7.694 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.611 0.294 -8.892 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.850 -1.817 -8.917 1.00 0.00 H new ATOM 0 HD22 LEU A 61 15.139 -0.063 -8.826 1.00 0.00 H new ATOM 0 HD23 LEU A 61 15.820 -1.142 -7.586 1.00 0.00 H new ATOM 930 N GLY A 62 11.620 -1.399 -4.657 1.00 0.00 N ATOM 931 CA GLY A 62 11.437 -2.490 -3.724 1.00 0.00 C ATOM 932 C GLY A 62 9.995 -2.947 -3.646 1.00 0.00 C ATOM 933 O GLY A 62 9.695 -4.094 -3.981 1.00 0.00 O ATOM 0 H GLY A 62 10.949 -1.373 -5.425 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.066 -3.329 -4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.771 -2.178 -2.734 1.00 0.00 H new ATOM 937 N PRO A 63 9.077 -2.073 -3.198 1.00 0.00 N ATOM 938 CA PRO A 63 7.650 -2.404 -3.089 1.00 0.00 C ATOM 939 C PRO A 63 7.036 -2.811 -4.428 1.00 0.00 C ATOM 940 O PRO A 63 7.037 -2.041 -5.389 1.00 0.00 O ATOM 941 CB PRO A 63 7.012 -1.108 -2.582 1.00 0.00 C ATOM 942 CG PRO A 63 8.128 -0.358 -1.946 1.00 0.00 C ATOM 943 CD PRO A 63 9.350 -0.696 -2.747 1.00 0.00 C ATOM 0 HA PRO A 63 7.488 -3.259 -2.432 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.569 -0.539 -3.399 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.215 -1.313 -1.867 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.936 0.715 -1.958 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.251 -0.648 -0.903 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.484 -0.015 -3.587 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.256 -0.640 -2.144 1.00 0.00 H new ATOM 951 N GLU A 64 6.518 -4.026 -4.472 1.00 0.00 N ATOM 952 CA GLU A 64 5.881 -4.556 -5.666 1.00 0.00 C ATOM 953 C GLU A 64 4.478 -5.036 -5.309 1.00 0.00 C ATOM 954 O GLU A 64 4.224 -5.429 -4.167 1.00 0.00 O ATOM 955 CB GLU A 64 6.721 -5.706 -6.235 1.00 0.00 C ATOM 956 CG GLU A 64 6.873 -5.677 -7.750 1.00 0.00 C ATOM 957 CD GLU A 64 5.610 -6.059 -8.493 1.00 0.00 C ATOM 958 OE1 GLU A 64 4.755 -5.179 -8.719 1.00 0.00 O ATOM 959 OE2 GLU A 64 5.474 -7.244 -8.861 1.00 0.00 O ATOM 0 H GLU A 64 6.527 -4.672 -3.683 1.00 0.00 H new ATOM 0 HA GLU A 64 5.808 -3.779 -6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.712 -5.677 -5.781 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.265 -6.653 -5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.177 -4.676 -8.057 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.675 -6.357 -8.040 1.00 0.00 H new ATOM 966 N LEU A 65 3.574 -5.004 -6.270 1.00 0.00 N ATOM 967 CA LEU A 65 2.189 -5.375 -6.026 1.00 0.00 C ATOM 968 C LEU A 65 1.963 -6.834 -6.392 1.00 0.00 C ATOM 969 O LEU A 65 2.613 -7.368 -7.291 1.00 0.00 O ATOM 970 CB LEU A 65 1.221 -4.488 -6.823 1.00 0.00 C ATOM 971 CG LEU A 65 1.106 -3.030 -6.358 1.00 0.00 C ATOM 972 CD1 LEU A 65 2.340 -2.226 -6.740 1.00 0.00 C ATOM 973 CD2 LEU A 65 -0.149 -2.391 -6.932 1.00 0.00 C ATOM 0 H LEU A 65 3.773 -4.724 -7.231 1.00 0.00 H new ATOM 0 HA LEU A 65 1.990 -5.230 -4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.533 -4.492 -7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.230 -4.940 -6.784 1.00 0.00 H new ATOM 0 HG LEU A 65 1.035 -3.028 -5.270 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.225 -1.198 -6.396 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.221 -2.668 -6.275 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.459 -2.235 -7.823 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.218 -1.357 -6.594 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.104 -2.415 -8.021 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.026 -2.943 -6.593 1.00 0.00 H new ATOM 985 N THR A 66 1.057 -7.483 -5.689 1.00 0.00 N ATOM 986 CA THR A 66 0.708 -8.853 -5.999 1.00 0.00 C ATOM 987 C THR A 66 -0.467 -8.877 -6.968 1.00 0.00 C ATOM 988 O THR A 66 -1.187 -7.883 -7.097 1.00 0.00 O ATOM 989 CB THR A 66 0.336 -9.632 -4.723 1.00 0.00 C ATOM 990 OG1 THR A 66 -0.849 -9.077 -4.140 1.00 0.00 O ATOM 991 CG2 THR A 66 1.469 -9.578 -3.709 1.00 0.00 C ATOM 0 H THR A 66 0.550 -7.083 -4.900 1.00 0.00 H new ATOM 0 HA THR A 66 1.575 -9.331 -6.455 1.00 0.00 H new ATOM 0 HB THR A 66 0.158 -10.672 -4.998 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.873 -9.290 -3.184 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.185 -10.134 -2.816 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.366 -10.020 -4.142 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.669 -8.540 -3.442 1.00 0.00 H new ATOM 999 N GLU A 67 -0.667 -9.998 -7.648 1.00 0.00 N ATOM 1000 CA GLU A 67 -1.819 -10.146 -8.526 1.00 0.00 C ATOM 1001 C GLU A 67 -3.089 -10.146 -7.678 1.00 0.00 C ATOM 1002 O GLU A 67 -4.168 -9.758 -8.130 1.00 0.00 O ATOM 1003 CB GLU A 67 -1.707 -11.438 -9.335 1.00 0.00 C ATOM 1004 CG GLU A 67 -2.715 -11.535 -10.465 1.00 0.00 C ATOM 1005 CD GLU A 67 -2.618 -12.847 -11.210 1.00 0.00 C ATOM 1006 OE1 GLU A 67 -1.663 -13.027 -11.990 1.00 0.00 O ATOM 1007 OE2 GLU A 67 -3.498 -13.709 -11.012 1.00 0.00 O ATOM 0 H GLU A 67 -0.052 -10.811 -7.609 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.856 -9.314 -9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.701 -11.512 -9.749 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.840 -12.288 -8.666 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.721 -11.422 -10.062 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.557 -10.712 -11.162 1.00 0.00 H new ATOM 1014 N LYS A 68 -2.927 -10.570 -6.432 1.00 0.00 N ATOM 1015 CA LYS A 68 -3.994 -10.538 -5.444 1.00 0.00 C ATOM 1016 C LYS A 68 -4.449 -9.099 -5.203 1.00 0.00 C ATOM 1017 O LYS A 68 -5.638 -8.786 -5.288 1.00 0.00 O ATOM 1018 CB LYS A 68 -3.479 -11.155 -4.144 1.00 0.00 C ATOM 1019 CG LYS A 68 -4.543 -11.404 -3.089 1.00 0.00 C ATOM 1020 CD LYS A 68 -3.925 -12.030 -1.852 1.00 0.00 C ATOM 1021 CE LYS A 68 -4.970 -12.381 -0.809 1.00 0.00 C ATOM 1022 NZ LYS A 68 -4.349 -12.978 0.399 1.00 0.00 N ATOM 0 H LYS A 68 -2.048 -10.947 -6.078 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.849 -11.108 -5.808 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.990 -12.101 -4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.718 -10.498 -3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.029 -10.465 -2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.315 -12.061 -3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.379 -12.930 -2.135 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.200 -11.340 -1.421 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.524 -11.484 -0.530 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.690 -13.081 -1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.051 -13.019 1.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.018 -13.939 0.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.542 -12.394 0.699 1.00 0.00 H new ATOM 1036 N GLY A 69 -3.485 -8.224 -4.919 1.00 0.00 N ATOM 1037 CA GLY A 69 -3.787 -6.822 -4.693 1.00 0.00 C ATOM 1038 C GLY A 69 -4.227 -6.115 -5.960 1.00 0.00 C ATOM 1039 O GLY A 69 -5.034 -5.189 -5.913 1.00 0.00 O ATOM 0 H GLY A 69 -2.497 -8.464 -4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.573 -6.739 -3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.906 -6.324 -4.289 1.00 0.00 H new ATOM 1043 N GLU A 70 -3.693 -6.560 -7.090 1.00 0.00 N ATOM 1044 CA GLU A 70 -4.049 -6.001 -8.388 1.00 0.00 C ATOM 1045 C GLU A 70 -5.535 -6.236 -8.665 1.00 0.00 C ATOM 1046 O GLU A 70 -6.240 -5.347 -9.142 1.00 0.00 O ATOM 1047 CB GLU A 70 -3.176 -6.640 -9.476 1.00 0.00 C ATOM 1048 CG GLU A 70 -2.963 -5.774 -10.713 1.00 0.00 C ATOM 1049 CD GLU A 70 -4.136 -5.783 -11.672 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -4.660 -6.878 -11.962 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -4.509 -4.701 -12.181 1.00 0.00 O ATOM 0 H GLU A 70 -3.006 -7.313 -7.133 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.871 -4.926 -8.389 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.204 -6.882 -9.047 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.632 -7.581 -9.782 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.770 -4.748 -10.399 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.073 -6.119 -11.239 1.00 0.00 H new ATOM 1058 N ASN A 71 -6.010 -7.436 -8.334 1.00 0.00 N ATOM 1059 CA ASN A 71 -7.428 -7.762 -8.469 1.00 0.00 C ATOM 1060 C ASN A 71 -8.258 -7.020 -7.428 1.00 0.00 C ATOM 1061 O ASN A 71 -9.406 -6.659 -7.681 1.00 0.00 O ATOM 1062 CB ASN A 71 -7.665 -9.271 -8.339 1.00 0.00 C ATOM 1063 CG ASN A 71 -7.445 -10.016 -9.644 1.00 0.00 C ATOM 1064 OD1 ASN A 71 -8.370 -10.166 -10.447 1.00 0.00 O ATOM 1065 ND2 ASN A 71 -6.230 -10.490 -9.869 1.00 0.00 N ATOM 0 H ASN A 71 -5.435 -8.196 -7.971 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.742 -7.445 -9.464 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.997 -9.675 -7.578 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.684 -9.446 -7.994 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.033 -10.999 -10.730 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.491 -10.346 -9.181 1.00 0.00 H new ATOM 1072 N TYR A 72 -7.667 -6.787 -6.261 1.00 0.00 N ATOM 1073 CA TYR A 72 -8.338 -6.052 -5.195 1.00 0.00 C ATOM 1074 C TYR A 72 -8.607 -4.613 -5.638 1.00 0.00 C ATOM 1075 O TYR A 72 -9.653 -4.039 -5.331 1.00 0.00 O ATOM 1076 CB TYR A 72 -7.486 -6.079 -3.918 1.00 0.00 C ATOM 1077 CG TYR A 72 -8.205 -5.575 -2.684 1.00 0.00 C ATOM 1078 CD1 TYR A 72 -9.439 -6.096 -2.317 1.00 0.00 C ATOM 1079 CD2 TYR A 72 -7.648 -4.582 -1.890 1.00 0.00 C ATOM 1080 CE1 TYR A 72 -10.099 -5.641 -1.191 1.00 0.00 C ATOM 1081 CE2 TYR A 72 -8.302 -4.123 -0.761 1.00 0.00 C ATOM 1082 CZ TYR A 72 -9.527 -4.656 -0.418 1.00 0.00 C ATOM 1083 OH TYR A 72 -10.181 -4.203 0.709 1.00 0.00 O ATOM 0 H TYR A 72 -6.723 -7.097 -6.029 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.294 -6.530 -4.980 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.152 -7.101 -3.739 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.593 -5.475 -4.077 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.890 -6.869 -2.921 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.690 -4.162 -2.158 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.058 -6.056 -0.919 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -7.856 -3.351 -0.151 1.00 0.00 H new ATOM 0 HH TYR A 72 -10.724 -4.927 1.085 1.00 0.00 H new ATOM 1093 N LEU A 73 -7.661 -4.054 -6.396 1.00 0.00 N ATOM 1094 CA LEU A 73 -7.794 -2.707 -6.949 1.00 0.00 C ATOM 1095 C LEU A 73 -9.034 -2.590 -7.826 1.00 0.00 C ATOM 1096 O LEU A 73 -9.680 -1.542 -7.872 1.00 0.00 O ATOM 1097 CB LEU A 73 -6.550 -2.332 -7.758 1.00 0.00 C ATOM 1098 CG LEU A 73 -5.277 -2.129 -6.941 1.00 0.00 C ATOM 1099 CD1 LEU A 73 -4.090 -1.881 -7.861 1.00 0.00 C ATOM 1100 CD2 LEU A 73 -5.456 -0.974 -5.968 1.00 0.00 C ATOM 0 H LEU A 73 -6.787 -4.520 -6.642 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.897 -2.016 -6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.368 -3.113 -8.496 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.758 -1.415 -8.309 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.080 -3.035 -6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.190 -1.738 -7.263 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.955 -2.738 -8.520 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.274 -0.989 -8.459 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.541 -0.839 -5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.673 -0.061 -6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.282 -1.193 -5.292 1.00 0.00 H new ATOM 1112 N LYS A 74 -9.371 -3.680 -8.499 1.00 0.00 N ATOM 1113 CA LYS A 74 -10.521 -3.711 -9.387 1.00 0.00 C ATOM 1114 C LYS A 74 -11.819 -3.448 -8.617 1.00 0.00 C ATOM 1115 O LYS A 74 -12.741 -2.812 -9.133 1.00 0.00 O ATOM 1116 CB LYS A 74 -10.596 -5.067 -10.089 1.00 0.00 C ATOM 1117 CG LYS A 74 -11.701 -5.163 -11.123 1.00 0.00 C ATOM 1118 CD LYS A 74 -11.819 -6.569 -11.685 1.00 0.00 C ATOM 1119 CE LYS A 74 -12.839 -6.630 -12.807 1.00 0.00 C ATOM 1120 NZ LYS A 74 -12.428 -5.796 -13.968 1.00 0.00 N ATOM 0 H LYS A 74 -8.859 -4.561 -8.445 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.402 -2.923 -10.130 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.640 -5.268 -10.573 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.744 -5.845 -9.340 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.649 -4.870 -10.672 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.504 -4.462 -11.934 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.848 -6.898 -12.055 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.107 -7.258 -10.891 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.966 -7.664 -13.128 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.807 -6.290 -12.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.963 -6.087 -14.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.622 -4.795 -13.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.411 -5.922 -14.143 1.00 0.00 H new