USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 390 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 50 THR OG1 : rot -50:sc= 1.23 USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0.963 USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0.0329 USER MOD Set 2.2: A 33 THR OG1 : rot 96:sc= 0.594 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -159:sc= -0.0165 (180deg=-0.62) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 96:sc= -0.337 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 13:sc= 0.0982 USER MOD Single : A 37 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.8!) USER MOD Single : A 39 HIS : no HE2:sc= -2.44 K(o=-2.4,f=-5.1!) USER MOD Single : A 41 SER OG : rot 14:sc= -3.2! USER MOD Single : A 42 GLN : amide:sc= -0.164 K(o=-0.16,f=-2.2!) USER MOD Single : A 52 ASN : amide:sc= -0.012 K(o=-0.012,f=-1.2!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.166 K(o=0.17,f=-1.3!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N ARG A 11 -0.531 -11.969 6.535 1.00 0.00 N ATOM 115 CA ARG A 11 -0.453 -11.862 5.088 1.00 0.00 C ATOM 116 C ARG A 11 0.327 -10.607 4.690 1.00 0.00 C ATOM 117 O ARG A 11 0.485 -9.689 5.494 1.00 0.00 O ATOM 118 CB ARG A 11 -1.849 -11.806 4.464 1.00 0.00 C ATOM 119 CG ARG A 11 -2.228 -13.154 3.848 1.00 0.00 C ATOM 120 CD ARG A 11 -2.348 -13.048 2.327 1.00 0.00 C ATOM 121 NE ARG A 11 -3.775 -13.015 1.933 1.00 0.00 N ATOM 122 CZ ARG A 11 -4.588 -14.079 1.965 1.00 0.00 C ATOM 123 NH1 ARG A 11 -4.121 -15.267 2.373 1.00 0.00 N ATOM 124 NH2 ARG A 11 -5.868 -13.956 1.589 1.00 0.00 N ATOM 0 HA ARG A 11 0.063 -12.748 4.717 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.580 -11.531 5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.878 -11.031 3.698 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.476 -13.900 4.106 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.174 -13.497 4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.844 -12.147 1.976 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.851 -13.896 1.855 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.163 -12.126 1.617 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.146 -15.361 2.659 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.740 -16.077 2.397 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.224 -13.052 1.278 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.487 -14.766 1.613 1.00 0.00 H new ATOM 138 N LYS A 12 0.793 -10.607 3.450 1.00 0.00 N ATOM 139 CA LYS A 12 1.552 -9.479 2.936 1.00 0.00 C ATOM 140 C LYS A 12 0.975 -9.056 1.583 1.00 0.00 C ATOM 141 O LYS A 12 0.305 -9.843 0.917 1.00 0.00 O ATOM 142 CB LYS A 12 3.044 -9.814 2.891 1.00 0.00 C ATOM 143 CG LYS A 12 3.642 -9.846 4.299 1.00 0.00 C ATOM 144 CD LYS A 12 4.866 -10.762 4.354 1.00 0.00 C ATOM 145 CE LYS A 12 4.529 -12.160 3.832 1.00 0.00 C ATOM 146 NZ LYS A 12 5.292 -13.188 4.575 1.00 0.00 N ATOM 0 H LYS A 12 0.660 -11.370 2.786 1.00 0.00 H new ATOM 0 HA LYS A 12 1.461 -8.622 3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.189 -10.781 2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.568 -9.074 2.286 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.924 -8.837 4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.891 -10.193 5.009 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.673 -10.333 3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.228 -10.830 5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.460 -12.346 3.936 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.761 -12.224 2.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.052 -14.131 4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.311 -13.019 4.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.050 -13.137 5.585 1.00 0.00 H new ATOM 160 N ALA A 13 1.257 -7.814 1.219 1.00 0.00 N ATOM 161 CA ALA A 13 0.775 -7.276 -0.042 1.00 0.00 C ATOM 162 C ALA A 13 1.904 -6.506 -0.729 1.00 0.00 C ATOM 163 O ALA A 13 2.809 -6.002 -0.065 1.00 0.00 O ATOM 164 CB ALA A 13 -0.456 -6.404 0.212 1.00 0.00 C ATOM 0 H ALA A 13 1.813 -7.165 1.775 1.00 0.00 H new ATOM 0 HA ALA A 13 0.471 -8.081 -0.711 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.817 -6.000 -0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.239 -7.006 0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.189 -5.584 0.878 1.00 0.00 H new ATOM 170 N LYS A 14 1.815 -6.438 -2.049 1.00 0.00 N ATOM 171 CA LYS A 14 2.818 -5.738 -2.832 1.00 0.00 C ATOM 172 C LYS A 14 2.150 -4.601 -3.609 1.00 0.00 C ATOM 173 O LYS A 14 1.131 -4.808 -4.266 1.00 0.00 O ATOM 174 CB LYS A 14 3.587 -6.719 -3.719 1.00 0.00 C ATOM 175 CG LYS A 14 4.121 -6.023 -4.973 1.00 0.00 C ATOM 176 CD LYS A 14 5.060 -6.944 -5.753 1.00 0.00 C ATOM 177 CE LYS A 14 4.326 -7.624 -6.910 1.00 0.00 C ATOM 178 NZ LYS A 14 4.190 -9.076 -6.657 1.00 0.00 N ATOM 0 H LYS A 14 1.063 -6.857 -2.596 1.00 0.00 H new ATOM 0 HA LYS A 14 3.563 -5.284 -2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.416 -7.150 -3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.934 -7.543 -4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.288 -5.723 -5.609 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.650 -5.113 -4.691 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.901 -6.368 -6.140 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.472 -7.700 -5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.340 -7.177 -7.035 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.871 -7.461 -7.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.028 -9.571 -7.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.061 -9.435 -6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.385 -9.243 -6.020 1.00 0.00 H new ATOM 192 N ALA A 15 2.751 -3.425 -3.508 1.00 0.00 N ATOM 193 CA ALA A 15 2.228 -2.255 -4.193 1.00 0.00 C ATOM 194 C ALA A 15 2.437 -2.415 -5.700 1.00 0.00 C ATOM 195 O ALA A 15 3.536 -2.744 -6.146 1.00 0.00 O ATOM 196 CB ALA A 15 2.900 -0.997 -3.641 1.00 0.00 C ATOM 0 H ALA A 15 3.596 -3.257 -2.962 1.00 0.00 H new ATOM 0 HA ALA A 15 1.157 -2.155 -4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.508 -0.120 -4.155 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.696 -0.914 -2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.976 -1.060 -3.801 1.00 0.00 H new ATOM 202 N LEU A 16 1.367 -2.176 -6.443 1.00 0.00 N ATOM 203 CA LEU A 16 1.420 -2.289 -7.890 1.00 0.00 C ATOM 204 C LEU A 16 1.999 -1.000 -8.478 1.00 0.00 C ATOM 205 O LEU A 16 2.835 -1.045 -9.379 1.00 0.00 O ATOM 206 CB LEU A 16 0.044 -2.656 -8.450 1.00 0.00 C ATOM 207 CG LEU A 16 -0.573 -3.951 -7.917 1.00 0.00 C ATOM 208 CD1 LEU A 16 -2.045 -4.063 -8.320 1.00 0.00 C ATOM 209 CD2 LEU A 16 0.238 -5.169 -8.363 1.00 0.00 C ATOM 0 H LEU A 16 0.458 -1.904 -6.070 1.00 0.00 H new ATOM 0 HA LEU A 16 2.085 -3.101 -8.184 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.643 -1.836 -8.239 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.124 -2.734 -9.534 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.539 -3.923 -6.828 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.460 -4.992 -7.929 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.599 -3.218 -7.912 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.126 -4.059 -9.407 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.222 -6.076 -7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.258 -5.214 -9.452 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.257 -5.086 -7.985 1.00 0.00 H new ATOM 221 N TYR A 17 1.531 0.118 -7.943 1.00 0.00 N ATOM 222 CA TYR A 17 1.992 1.417 -8.403 1.00 0.00 C ATOM 223 C TYR A 17 2.357 2.319 -7.222 1.00 0.00 C ATOM 224 O TYR A 17 1.693 2.293 -6.187 1.00 0.00 O ATOM 225 CB TYR A 17 0.816 2.038 -9.159 1.00 0.00 C ATOM 226 CG TYR A 17 0.114 1.075 -10.118 1.00 0.00 C ATOM 227 CD1 TYR A 17 -0.866 0.225 -9.648 1.00 0.00 C ATOM 228 CD2 TYR A 17 0.462 1.055 -11.453 1.00 0.00 C ATOM 229 CE1 TYR A 17 -1.527 -0.682 -10.550 1.00 0.00 C ATOM 230 CE2 TYR A 17 -0.199 0.148 -12.356 1.00 0.00 C ATOM 231 CZ TYR A 17 -1.160 -0.675 -11.860 1.00 0.00 C ATOM 232 OH TYR A 17 -1.784 -1.532 -12.713 1.00 0.00 O ATOM 0 H TYR A 17 0.838 0.151 -7.196 1.00 0.00 H new ATOM 0 HA TYR A 17 2.880 1.311 -9.026 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.089 2.410 -8.437 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.174 2.899 -9.723 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.137 0.240 -8.603 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.230 1.719 -11.821 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.296 -1.352 -10.195 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.063 0.123 -13.403 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.422 -1.416 -13.616 1.00 0.00 H new ATOM 242 N ALA A 18 3.413 3.096 -7.416 1.00 0.00 N ATOM 243 CA ALA A 18 3.875 4.004 -6.380 1.00 0.00 C ATOM 244 C ALA A 18 2.794 5.053 -6.110 1.00 0.00 C ATOM 245 O ALA A 18 2.229 5.622 -7.043 1.00 0.00 O ATOM 246 CB ALA A 18 5.203 4.632 -6.806 1.00 0.00 C ATOM 0 H ALA A 18 3.962 3.115 -8.276 1.00 0.00 H new ATOM 0 HA ALA A 18 4.053 3.466 -5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.549 5.313 -6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.944 3.847 -6.958 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.063 5.184 -7.736 1.00 0.00 H new ATOM 252 N CYS A 19 2.541 5.278 -4.829 1.00 0.00 N ATOM 253 CA CYS A 19 1.538 6.249 -4.424 1.00 0.00 C ATOM 254 C CYS A 19 2.137 7.128 -3.324 1.00 0.00 C ATOM 255 O CYS A 19 2.763 6.623 -2.393 1.00 0.00 O ATOM 256 CB CYS A 19 0.244 5.571 -3.971 1.00 0.00 C ATOM 257 SG CYS A 19 -1.202 6.519 -4.569 1.00 0.00 S ATOM 0 H CYS A 19 3.013 4.805 -4.058 1.00 0.00 H new ATOM 0 HA CYS A 19 1.265 6.871 -5.277 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.205 4.551 -4.354 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.221 5.504 -2.883 1.00 0.00 H new ATOM 0 HG CYS A 19 -1.635 5.997 -5.678 1.00 0.00 H new ATOM 263 N LYS A 20 1.924 8.428 -3.467 1.00 0.00 N ATOM 264 CA LYS A 20 2.435 9.381 -2.497 1.00 0.00 C ATOM 265 C LYS A 20 1.339 9.705 -1.480 1.00 0.00 C ATOM 266 O LYS A 20 0.344 10.346 -1.817 1.00 0.00 O ATOM 267 CB LYS A 20 3.001 10.614 -3.204 1.00 0.00 C ATOM 268 CG LYS A 20 3.985 11.361 -2.301 1.00 0.00 C ATOM 269 CD LYS A 20 4.751 12.427 -3.088 1.00 0.00 C ATOM 270 CE LYS A 20 6.236 12.417 -2.721 1.00 0.00 C ATOM 271 NZ LYS A 20 6.936 11.318 -3.422 1.00 0.00 N ATOM 0 H LYS A 20 1.404 8.843 -4.240 1.00 0.00 H new ATOM 0 HA LYS A 20 3.268 8.949 -1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.503 10.312 -4.123 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.187 11.280 -3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.445 11.829 -1.478 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.688 10.654 -1.860 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.636 12.248 -4.157 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.328 13.410 -2.882 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.689 13.372 -2.987 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.349 12.299 -1.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.943 11.326 -3.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.515 10.408 -3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.843 11.447 -4.450 1.00 0.00 H new ATOM 350 N GLU A 26 -2.901 7.611 5.854 1.00 0.00 N ATOM 351 CA GLU A 26 -2.493 6.922 4.641 1.00 0.00 C ATOM 352 C GLU A 26 -1.023 6.510 4.734 1.00 0.00 C ATOM 353 O GLU A 26 -0.314 6.929 5.648 1.00 0.00 O ATOM 354 CB GLU A 26 -2.742 7.792 3.407 1.00 0.00 C ATOM 355 CG GLU A 26 -4.122 7.513 2.809 1.00 0.00 C ATOM 356 CD GLU A 26 -4.320 8.285 1.503 1.00 0.00 C ATOM 357 OE1 GLU A 26 -3.291 8.578 0.856 1.00 0.00 O ATOM 358 OE2 GLU A 26 -5.495 8.563 1.180 1.00 0.00 O ATOM 0 HA GLU A 26 -3.097 6.020 4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.665 8.845 3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.972 7.599 2.660 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.233 6.444 2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.896 7.795 3.523 1.00 0.00 H new ATOM 365 N LEU A 27 -0.608 5.694 3.776 1.00 0.00 N ATOM 366 CA LEU A 27 0.765 5.221 3.739 1.00 0.00 C ATOM 367 C LEU A 27 1.366 5.522 2.364 1.00 0.00 C ATOM 368 O LEU A 27 0.647 5.581 1.368 1.00 0.00 O ATOM 369 CB LEU A 27 0.833 3.744 4.130 1.00 0.00 C ATOM 370 CG LEU A 27 0.205 3.376 5.476 1.00 0.00 C ATOM 371 CD1 LEU A 27 0.145 1.858 5.656 1.00 0.00 C ATOM 372 CD2 LEU A 27 0.940 4.062 6.629 1.00 0.00 C ATOM 0 H LEU A 27 -1.199 5.349 3.020 1.00 0.00 H new ATOM 0 HA LEU A 27 1.371 5.750 4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.343 3.160 3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.880 3.441 4.145 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.822 3.742 5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.305 1.623 6.620 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.456 1.421 4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.154 1.447 5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.474 3.784 7.574 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.984 3.748 6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.887 5.143 6.502 1.00 0.00 H new ATOM 384 N SER A 28 2.679 5.704 2.355 1.00 0.00 N ATOM 385 CA SER A 28 3.384 5.997 1.119 1.00 0.00 C ATOM 386 C SER A 28 4.396 4.889 0.818 1.00 0.00 C ATOM 387 O SER A 28 5.156 4.483 1.696 1.00 0.00 O ATOM 388 CB SER A 28 4.090 7.353 1.196 1.00 0.00 C ATOM 389 OG SER A 28 5.229 7.314 2.051 1.00 0.00 O ATOM 0 H SER A 28 3.272 5.654 3.183 1.00 0.00 H new ATOM 0 HA SER A 28 2.653 6.043 0.311 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.398 7.659 0.196 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.390 8.106 1.558 1.00 0.00 H new ATOM 0 HG SER A 28 5.448 6.382 2.261 1.00 0.00 H new ATOM 395 N PHE A 29 4.372 4.431 -0.425 1.00 0.00 N ATOM 396 CA PHE A 29 5.277 3.378 -0.852 1.00 0.00 C ATOM 397 C PHE A 29 5.540 3.458 -2.357 1.00 0.00 C ATOM 398 O PHE A 29 5.004 4.330 -3.039 1.00 0.00 O ATOM 399 CB PHE A 29 4.594 2.046 -0.536 1.00 0.00 C ATOM 400 CG PHE A 29 3.125 1.984 -0.960 1.00 0.00 C ATOM 401 CD1 PHE A 29 2.799 1.642 -2.235 1.00 0.00 C ATOM 402 CD2 PHE A 29 2.145 2.270 -0.061 1.00 0.00 C ATOM 403 CE1 PHE A 29 1.436 1.584 -2.628 1.00 0.00 C ATOM 404 CE2 PHE A 29 0.782 2.213 -0.454 1.00 0.00 C ATOM 405 CZ PHE A 29 0.456 1.871 -1.730 1.00 0.00 C ATOM 0 H PHE A 29 3.740 4.770 -1.150 1.00 0.00 H new ATOM 0 HA PHE A 29 6.233 3.478 -0.337 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.139 1.243 -1.032 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.660 1.861 0.536 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.577 1.414 -2.949 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.404 2.541 0.952 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.177 1.312 -3.641 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.004 2.441 0.260 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.581 1.827 -2.029 1.00 0.00 H new ATOM 415 N THR A 30 6.366 2.537 -2.831 1.00 0.00 N ATOM 416 CA THR A 30 6.708 2.493 -4.242 1.00 0.00 C ATOM 417 C THR A 30 6.383 1.116 -4.826 1.00 0.00 C ATOM 418 O THR A 30 6.496 0.103 -4.137 1.00 0.00 O ATOM 419 CB THR A 30 8.180 2.882 -4.385 1.00 0.00 C ATOM 420 OG1 THR A 30 8.875 1.900 -3.622 1.00 0.00 O ATOM 421 CG2 THR A 30 8.508 4.201 -3.682 1.00 0.00 C ATOM 0 H THR A 30 6.809 1.815 -2.262 1.00 0.00 H new ATOM 0 HA THR A 30 6.113 3.204 -4.816 1.00 0.00 H new ATOM 0 HB THR A 30 8.433 2.961 -5.442 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.838 2.076 -3.662 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.565 4.431 -3.814 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.906 5.002 -4.112 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.287 4.111 -2.619 1.00 0.00 H new ATOM 429 N ALA A 31 5.987 1.124 -6.091 1.00 0.00 N ATOM 430 CA ALA A 31 5.646 -0.112 -6.775 1.00 0.00 C ATOM 431 C ALA A 31 6.685 -1.182 -6.435 1.00 0.00 C ATOM 432 O ALA A 31 7.885 -0.959 -6.591 1.00 0.00 O ATOM 433 CB ALA A 31 5.548 0.148 -8.280 1.00 0.00 C ATOM 0 H ALA A 31 5.895 1.966 -6.659 1.00 0.00 H new ATOM 0 HA ALA A 31 4.675 -0.479 -6.443 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.292 -0.779 -8.793 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.776 0.894 -8.471 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.506 0.515 -8.649 1.00 0.00 H new ATOM 439 N GLY A 32 6.187 -2.321 -5.977 1.00 0.00 N ATOM 440 CA GLY A 32 7.057 -3.426 -5.613 1.00 0.00 C ATOM 441 C GLY A 32 7.093 -3.619 -4.096 1.00 0.00 C ATOM 442 O GLY A 32 7.099 -4.749 -3.610 1.00 0.00 O ATOM 0 H GLY A 32 5.191 -2.502 -5.850 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.708 -4.341 -6.091 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.065 -3.237 -5.983 1.00 0.00 H new ATOM 446 N THR A 33 7.117 -2.499 -3.389 1.00 0.00 N ATOM 447 CA THR A 33 7.153 -2.530 -1.937 1.00 0.00 C ATOM 448 C THR A 33 6.169 -3.573 -1.402 1.00 0.00 C ATOM 449 O THR A 33 5.070 -3.724 -1.932 1.00 0.00 O ATOM 450 CB THR A 33 6.875 -1.115 -1.426 1.00 0.00 C ATOM 451 OG1 THR A 33 8.024 -0.371 -1.824 1.00 0.00 O ATOM 452 CG2 THR A 33 6.887 -1.031 0.102 1.00 0.00 C ATOM 0 H THR A 33 7.112 -1.563 -3.795 1.00 0.00 H new ATOM 0 HA THR A 33 8.134 -2.836 -1.572 1.00 0.00 H new ATOM 0 HB THR A 33 5.909 -0.777 -1.800 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.844 0.079 -2.676 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.684 -0.006 0.412 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.121 -1.691 0.509 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.864 -1.336 0.476 1.00 0.00 H new ATOM 460 N VAL A 34 6.601 -4.266 -0.358 1.00 0.00 N ATOM 461 CA VAL A 34 5.772 -5.290 0.255 1.00 0.00 C ATOM 462 C VAL A 34 5.323 -4.817 1.639 1.00 0.00 C ATOM 463 O VAL A 34 6.128 -4.305 2.415 1.00 0.00 O ATOM 464 CB VAL A 34 6.528 -6.620 0.294 1.00 0.00 C ATOM 465 CG1 VAL A 34 5.860 -7.602 1.259 1.00 0.00 C ATOM 466 CG2 VAL A 34 6.648 -7.224 -1.107 1.00 0.00 C ATOM 0 H VAL A 34 7.514 -4.138 0.079 1.00 0.00 H new ATOM 0 HA VAL A 34 4.873 -5.459 -0.338 1.00 0.00 H new ATOM 0 HB VAL A 34 7.535 -6.422 0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.417 -8.539 1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.850 -7.176 2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.837 -7.791 0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.189 -8.168 -1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.652 -7.400 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.188 -6.534 -1.756 1.00 0.00 H new ATOM 476 N PHE A 35 4.039 -5.004 1.905 1.00 0.00 N ATOM 477 CA PHE A 35 3.473 -4.602 3.182 1.00 0.00 C ATOM 478 C PHE A 35 3.425 -5.781 4.156 1.00 0.00 C ATOM 479 O PHE A 35 3.304 -6.932 3.738 1.00 0.00 O ATOM 480 CB PHE A 35 2.046 -4.124 2.908 1.00 0.00 C ATOM 481 CG PHE A 35 1.959 -2.952 1.928 1.00 0.00 C ATOM 482 CD1 PHE A 35 2.119 -1.678 2.376 1.00 0.00 C ATOM 483 CD2 PHE A 35 1.722 -3.184 0.609 1.00 0.00 C ATOM 484 CE1 PHE A 35 2.039 -0.590 1.467 1.00 0.00 C ATOM 485 CE2 PHE A 35 1.642 -2.097 -0.300 1.00 0.00 C ATOM 486 CZ PHE A 35 1.802 -0.823 0.148 1.00 0.00 C ATOM 0 H PHE A 35 3.374 -5.428 1.258 1.00 0.00 H new ATOM 0 HA PHE A 35 4.085 -3.820 3.630 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.464 -4.957 2.514 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.585 -3.831 3.851 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.307 -1.494 3.423 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.595 -4.196 0.253 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.166 0.422 1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.454 -2.282 -1.347 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.741 0.004 -0.544 1.00 0.00 H new ATOM 496 N ASP A 36 3.524 -5.455 5.436 1.00 0.00 N ATOM 497 CA ASP A 36 3.493 -6.472 6.472 1.00 0.00 C ATOM 498 C ASP A 36 2.109 -6.488 7.125 1.00 0.00 C ATOM 499 O ASP A 36 1.498 -5.439 7.317 1.00 0.00 O ATOM 500 CB ASP A 36 4.526 -6.179 7.562 1.00 0.00 C ATOM 501 CG ASP A 36 5.790 -7.039 7.503 1.00 0.00 C ATOM 502 OD1 ASP A 36 6.005 -7.660 6.440 1.00 0.00 O ATOM 503 OD2 ASP A 36 6.513 -7.057 8.523 1.00 0.00 O ATOM 0 H ASP A 36 3.626 -4.500 5.779 1.00 0.00 H new ATOM 0 HA ASP A 36 3.719 -7.432 6.008 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.815 -5.130 7.495 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.055 -6.319 8.535 1.00 0.00 H new ATOM 508 N ASN A 37 1.656 -7.691 7.447 1.00 0.00 N ATOM 509 CA ASN A 37 0.356 -7.857 8.074 1.00 0.00 C ATOM 510 C ASN A 37 -0.662 -6.955 7.374 1.00 0.00 C ATOM 511 O ASN A 37 -1.019 -5.898 7.892 1.00 0.00 O ATOM 512 CB ASN A 37 0.402 -7.462 9.551 1.00 0.00 C ATOM 513 CG ASN A 37 -0.635 -8.244 10.361 1.00 0.00 C ATOM 514 OD1 ASN A 37 -1.382 -9.056 9.841 1.00 0.00 O ATOM 515 ND2 ASN A 37 -0.637 -7.954 11.659 1.00 0.00 N ATOM 0 H ASN A 37 2.166 -8.559 7.285 1.00 0.00 H new ATOM 0 HA ASN A 37 0.073 -8.906 7.991 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.398 -7.651 9.951 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.216 -6.393 9.651 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.292 -8.422 12.285 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.016 -7.263 12.028 1.00 0.00 H new ATOM 522 N VAL A 38 -1.101 -7.405 6.208 1.00 0.00 N ATOM 523 CA VAL A 38 -2.071 -6.651 5.432 1.00 0.00 C ATOM 524 C VAL A 38 -3.476 -7.181 5.726 1.00 0.00 C ATOM 525 O VAL A 38 -3.660 -8.378 5.940 1.00 0.00 O ATOM 526 CB VAL A 38 -1.710 -6.708 3.946 1.00 0.00 C ATOM 527 CG1 VAL A 38 -2.838 -6.135 3.085 1.00 0.00 C ATOM 528 CG2 VAL A 38 -0.391 -5.984 3.674 1.00 0.00 C ATOM 0 H VAL A 38 -0.803 -8.282 5.782 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.054 -5.599 5.717 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.579 -7.755 3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.556 -6.187 2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.748 -6.713 3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.015 -5.096 3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.158 -6.040 2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.481 -4.939 3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.408 -6.456 4.246 1.00 0.00 H new ATOM 538 N HIS A 39 -4.431 -6.263 5.728 1.00 0.00 N ATOM 539 CA HIS A 39 -5.814 -6.622 5.993 1.00 0.00 C ATOM 540 C HIS A 39 -6.739 -5.517 5.480 1.00 0.00 C ATOM 541 O HIS A 39 -6.289 -4.408 5.197 1.00 0.00 O ATOM 542 CB HIS A 39 -6.021 -6.926 7.479 1.00 0.00 C ATOM 543 CG HIS A 39 -6.336 -5.710 8.316 1.00 0.00 C ATOM 544 ND1 HIS A 39 -7.596 -5.139 8.366 1.00 0.00 N ATOM 545 CD2 HIS A 39 -5.543 -4.962 9.136 1.00 0.00 C ATOM 546 CE1 HIS A 39 -7.551 -4.096 9.181 1.00 0.00 C ATOM 547 NE2 HIS A 39 -6.278 -3.988 9.657 1.00 0.00 N ATOM 0 H HIS A 39 -4.274 -5.271 5.550 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.065 -7.536 5.456 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.833 -7.646 7.582 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.122 -7.401 7.871 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -8.420 -5.466 7.861 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.494 -5.134 9.329 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.378 -3.445 9.426 1.00 0.00 H new ATOM 555 N PRO A 40 -8.048 -5.868 5.371 1.00 0.00 N ATOM 556 CA PRO A 40 -9.041 -4.919 4.897 1.00 0.00 C ATOM 557 C PRO A 40 -9.371 -3.885 5.975 1.00 0.00 C ATOM 558 O PRO A 40 -9.968 -4.219 6.998 1.00 0.00 O ATOM 559 CB PRO A 40 -10.238 -5.767 4.500 1.00 0.00 C ATOM 560 CG PRO A 40 -10.051 -7.105 5.197 1.00 0.00 C ATOM 561 CD PRO A 40 -8.617 -7.173 5.697 1.00 0.00 C ATOM 0 HA PRO A 40 -8.689 -4.330 4.050 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.171 -5.294 4.807 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.286 -5.893 3.418 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.750 -7.204 6.027 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.255 -7.926 4.509 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.580 -7.364 6.769 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.066 -7.978 5.211 1.00 0.00 H new ATOM 569 N SER A 41 -8.968 -2.651 5.710 1.00 0.00 N ATOM 570 CA SER A 41 -9.214 -1.566 6.645 1.00 0.00 C ATOM 571 C SER A 41 -10.718 -1.402 6.873 1.00 0.00 C ATOM 572 O SER A 41 -11.511 -2.225 6.420 1.00 0.00 O ATOM 573 CB SER A 41 -8.606 -0.256 6.141 1.00 0.00 C ATOM 574 OG SER A 41 -8.363 0.663 7.202 1.00 0.00 O ATOM 0 H SER A 41 -8.473 -2.378 4.861 1.00 0.00 H new ATOM 0 HA SER A 41 -8.736 -1.815 7.592 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.671 -0.466 5.622 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.278 0.199 5.414 1.00 0.00 H new ATOM 0 HG SER A 41 -8.426 0.195 8.061 1.00 0.00 H new ATOM 580 N GLN A 42 -11.064 -0.332 7.574 1.00 0.00 N ATOM 581 CA GLN A 42 -12.459 -0.049 7.866 1.00 0.00 C ATOM 582 C GLN A 42 -13.114 0.670 6.685 1.00 0.00 C ATOM 583 O GLN A 42 -14.338 0.692 6.569 1.00 0.00 O ATOM 584 CB GLN A 42 -12.594 0.771 9.151 1.00 0.00 C ATOM 585 CG GLN A 42 -13.699 0.208 10.047 1.00 0.00 C ATOM 586 CD GLN A 42 -15.052 0.839 9.711 1.00 0.00 C ATOM 587 OE1 GLN A 42 -15.141 1.883 9.086 1.00 0.00 O ATOM 588 NE2 GLN A 42 -16.097 0.149 10.159 1.00 0.00 N ATOM 0 H GLN A 42 -10.403 0.349 7.948 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.977 -0.995 8.021 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.647 0.768 9.690 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -12.816 1.809 8.903 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.757 -0.873 9.923 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.456 0.396 11.093 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -15.952 -0.718 10.676 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -17.044 0.487 9.986 1.00 0.00 H new ATOM 597 N GLU A 43 -12.269 1.240 5.838 1.00 0.00 N ATOM 598 CA GLU A 43 -12.751 1.957 4.670 1.00 0.00 C ATOM 599 C GLU A 43 -12.959 0.991 3.502 1.00 0.00 C ATOM 600 O GLU A 43 -12.332 -0.066 3.447 1.00 0.00 O ATOM 601 CB GLU A 43 -11.791 3.085 4.285 1.00 0.00 C ATOM 602 CG GLU A 43 -12.027 4.325 5.150 1.00 0.00 C ATOM 603 CD GLU A 43 -12.056 3.960 6.635 1.00 0.00 C ATOM 604 OE1 GLU A 43 -11.172 3.178 7.046 1.00 0.00 O ATOM 605 OE2 GLU A 43 -12.963 4.472 7.327 1.00 0.00 O ATOM 0 H GLU A 43 -11.254 1.220 5.938 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.712 2.410 4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.761 2.747 4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.926 3.339 3.234 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.239 5.056 4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.969 4.795 4.869 1.00 0.00 H new ATOM 612 N PRO A 44 -13.864 1.400 2.573 1.00 0.00 N ATOM 613 CA PRO A 44 -14.162 0.583 1.409 1.00 0.00 C ATOM 614 C PRO A 44 -13.027 0.652 0.385 1.00 0.00 C ATOM 615 O PRO A 44 -12.651 1.736 -0.057 1.00 0.00 O ATOM 616 CB PRO A 44 -15.478 1.124 0.875 1.00 0.00 C ATOM 617 CG PRO A 44 -15.632 2.512 1.475 1.00 0.00 C ATOM 618 CD PRO A 44 -14.624 2.646 2.605 1.00 0.00 C ATOM 0 HA PRO A 44 -14.251 -0.476 1.650 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.469 1.168 -0.214 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.310 0.480 1.161 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.460 3.277 0.717 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.646 2.656 1.849 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.975 3.509 2.457 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.121 2.782 3.565 1.00 0.00 H new ATOM 626 N GLY A 45 -12.514 -0.519 0.038 1.00 0.00 N ATOM 627 CA GLY A 45 -11.430 -0.605 -0.926 1.00 0.00 C ATOM 628 C GLY A 45 -10.155 0.036 -0.375 1.00 0.00 C ATOM 629 O GLY A 45 -9.405 0.670 -1.116 1.00 0.00 O ATOM 0 H GLY A 45 -12.829 -1.416 0.407 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.239 -1.650 -1.172 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.721 -0.108 -1.851 1.00 0.00 H new ATOM 633 N TRP A 46 -9.948 -0.151 0.920 1.00 0.00 N ATOM 634 CA TRP A 46 -8.777 0.401 1.579 1.00 0.00 C ATOM 635 C TRP A 46 -8.219 -0.666 2.524 1.00 0.00 C ATOM 636 O TRP A 46 -8.912 -1.116 3.435 1.00 0.00 O ATOM 637 CB TRP A 46 -9.114 1.712 2.290 1.00 0.00 C ATOM 638 CG TRP A 46 -9.348 2.891 1.343 1.00 0.00 C ATOM 639 CD1 TRP A 46 -10.517 3.428 0.966 1.00 0.00 C ATOM 640 CD2 TRP A 46 -8.335 3.663 0.665 1.00 0.00 C ATOM 641 NE1 TRP A 46 -10.332 4.484 0.098 1.00 0.00 N ATOM 642 CE2 TRP A 46 -8.962 4.632 -0.091 1.00 0.00 C ATOM 643 CE3 TRP A 46 -6.934 3.547 0.690 1.00 0.00 C ATOM 644 CZ2 TRP A 46 -8.269 5.559 -0.879 1.00 0.00 C ATOM 645 CZ3 TRP A 46 -6.255 4.480 -0.103 1.00 0.00 C ATOM 646 CH2 TRP A 46 -6.872 5.461 -0.870 1.00 0.00 C ATOM 0 H TRP A 46 -10.572 -0.678 1.531 1.00 0.00 H new ATOM 0 HA TRP A 46 -8.009 0.656 0.849 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -10.007 1.565 2.898 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -8.302 1.963 2.972 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -11.483 3.078 1.300 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -11.065 5.052 -0.327 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -6.422 2.797 1.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -8.784 6.309 -1.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -5.176 4.434 -0.120 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -6.277 6.145 -1.457 1.00 0.00 H new ATOM 657 N LEU A 47 -6.973 -1.039 2.275 1.00 0.00 N ATOM 658 CA LEU A 47 -6.314 -2.043 3.092 1.00 0.00 C ATOM 659 C LEU A 47 -5.539 -1.353 4.216 1.00 0.00 C ATOM 660 O LEU A 47 -5.074 -0.226 4.052 1.00 0.00 O ATOM 661 CB LEU A 47 -5.451 -2.960 2.223 1.00 0.00 C ATOM 662 CG LEU A 47 -6.171 -3.670 1.075 1.00 0.00 C ATOM 663 CD1 LEU A 47 -5.187 -4.476 0.225 1.00 0.00 C ATOM 664 CD2 LEU A 47 -7.318 -4.536 1.601 1.00 0.00 C ATOM 0 H LEU A 47 -6.402 -0.663 1.518 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.051 -2.692 3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.636 -2.369 1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.999 -3.716 2.865 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.610 -2.912 0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.725 -4.971 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.436 -3.807 -0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.698 -5.226 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.814 -5.030 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.923 -5.288 2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.036 -3.908 2.129 1.00 0.00 H new ATOM 676 N GLU A 48 -5.425 -2.057 5.332 1.00 0.00 N ATOM 677 CA GLU A 48 -4.715 -1.525 6.483 1.00 0.00 C ATOM 678 C GLU A 48 -3.562 -2.454 6.870 1.00 0.00 C ATOM 679 O GLU A 48 -3.772 -3.465 7.538 1.00 0.00 O ATOM 680 CB GLU A 48 -5.665 -1.310 7.663 1.00 0.00 C ATOM 681 CG GLU A 48 -5.060 -0.347 8.686 1.00 0.00 C ATOM 682 CD GLU A 48 -6.155 0.360 9.487 1.00 0.00 C ATOM 683 OE1 GLU A 48 -6.957 -0.365 10.114 1.00 0.00 O ATOM 684 OE2 GLU A 48 -6.165 1.610 9.455 1.00 0.00 O ATOM 0 H GLU A 48 -5.812 -2.991 5.464 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.300 -0.554 6.212 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.614 -0.914 7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.879 -2.266 8.141 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.405 -0.895 9.363 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.443 0.392 8.175 1.00 0.00 H new ATOM 691 N GLY A 49 -2.369 -2.077 6.434 1.00 0.00 N ATOM 692 CA GLY A 49 -1.183 -2.863 6.727 1.00 0.00 C ATOM 693 C GLY A 49 -0.164 -2.043 7.521 1.00 0.00 C ATOM 694 O GLY A 49 -0.483 -0.965 8.020 1.00 0.00 O ATOM 0 H GLY A 49 -2.198 -1.238 5.880 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.462 -3.751 7.294 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.732 -3.208 5.797 1.00 0.00 H new ATOM 698 N THR A 50 1.041 -2.586 7.615 1.00 0.00 N ATOM 699 CA THR A 50 2.108 -1.919 8.341 1.00 0.00 C ATOM 700 C THR A 50 3.352 -1.788 7.459 1.00 0.00 C ATOM 701 O THR A 50 3.961 -2.789 7.086 1.00 0.00 O ATOM 702 CB THR A 50 2.359 -2.697 9.634 1.00 0.00 C ATOM 703 OG1 THR A 50 1.106 -2.659 10.311 1.00 0.00 O ATOM 704 CG2 THR A 50 3.316 -1.968 10.580 1.00 0.00 C ATOM 0 H THR A 50 1.302 -3.481 7.200 1.00 0.00 H new ATOM 0 HA THR A 50 1.828 -0.900 8.608 1.00 0.00 H new ATOM 0 HB THR A 50 2.765 -3.679 9.393 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.778 -1.736 10.340 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.460 -2.563 11.482 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.276 -1.822 10.085 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.895 -0.999 10.848 1.00 0.00 H new ATOM 712 N LEU A 51 3.692 -0.545 7.152 1.00 0.00 N ATOM 713 CA LEU A 51 4.852 -0.270 6.321 1.00 0.00 C ATOM 714 C LEU A 51 5.913 0.448 7.157 1.00 0.00 C ATOM 715 O LEU A 51 5.770 1.630 7.467 1.00 0.00 O ATOM 716 CB LEU A 51 4.440 0.495 5.062 1.00 0.00 C ATOM 717 CG LEU A 51 5.582 0.961 4.157 1.00 0.00 C ATOM 718 CD1 LEU A 51 5.984 -0.137 3.171 1.00 0.00 C ATOM 719 CD2 LEU A 51 5.219 2.266 3.444 1.00 0.00 C ATOM 0 H LEU A 51 3.185 0.283 7.464 1.00 0.00 H new ATOM 0 HA LEU A 51 5.298 -1.200 5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.775 -0.140 4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.863 1.369 5.364 1.00 0.00 H new ATOM 0 HG LEU A 51 6.451 1.166 4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.798 0.221 2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.313 -1.018 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.129 -0.397 2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.048 2.575 2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.330 2.112 2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.021 3.042 4.184 1.00 0.00 H new ATOM 731 N ASN A 52 6.955 -0.296 7.498 1.00 0.00 N ATOM 732 CA ASN A 52 8.041 0.255 8.292 1.00 0.00 C ATOM 733 C ASN A 52 7.488 0.747 9.631 1.00 0.00 C ATOM 734 O ASN A 52 7.333 1.949 9.839 1.00 0.00 O ATOM 735 CB ASN A 52 8.692 1.444 7.583 1.00 0.00 C ATOM 736 CG ASN A 52 9.519 0.981 6.382 1.00 0.00 C ATOM 737 OD1 ASN A 52 10.011 -0.133 6.327 1.00 0.00 O ATOM 738 ND2 ASN A 52 9.643 1.898 5.426 1.00 0.00 N ATOM 0 H ASN A 52 7.071 -1.276 7.239 1.00 0.00 H new ATOM 0 HA ASN A 52 8.784 -0.529 8.438 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.922 2.141 7.252 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.331 1.984 8.282 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.176 1.687 4.583 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.205 2.812 5.536 1.00 0.00 H new ATOM 745 N GLY A 53 7.207 -0.208 10.505 1.00 0.00 N ATOM 746 CA GLY A 53 6.675 0.113 11.819 1.00 0.00 C ATOM 747 C GLY A 53 5.696 1.286 11.743 1.00 0.00 C ATOM 748 O GLY A 53 5.682 2.146 12.622 1.00 0.00 O ATOM 0 H GLY A 53 7.338 -1.204 10.329 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.171 -0.760 12.234 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.493 0.361 12.496 1.00 0.00 H new ATOM 752 N LYS A 54 4.901 1.283 10.683 1.00 0.00 N ATOM 753 CA LYS A 54 3.920 2.336 10.480 1.00 0.00 C ATOM 754 C LYS A 54 2.661 1.740 9.849 1.00 0.00 C ATOM 755 O LYS A 54 2.737 1.057 8.828 1.00 0.00 O ATOM 756 CB LYS A 54 4.528 3.485 9.673 1.00 0.00 C ATOM 757 CG LYS A 54 3.971 4.834 10.135 1.00 0.00 C ATOM 758 CD LYS A 54 4.418 5.960 9.201 1.00 0.00 C ATOM 759 CE LYS A 54 3.325 7.021 9.059 1.00 0.00 C ATOM 760 NZ LYS A 54 3.879 8.372 9.302 1.00 0.00 N ATOM 0 H LYS A 54 4.916 0.568 9.956 1.00 0.00 H new ATOM 0 HA LYS A 54 3.623 2.769 11.435 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.612 3.478 9.784 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.315 3.343 8.614 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.882 4.791 10.164 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.309 5.043 11.150 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.327 6.419 9.588 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.661 5.549 8.221 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.892 6.974 8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.520 6.819 9.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.124 9.080 9.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.272 8.418 10.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.631 8.568 8.611 1.00 0.00 H new ATOM 774 N THR A 55 1.531 2.020 10.481 1.00 0.00 N ATOM 775 CA THR A 55 0.257 1.519 9.994 1.00 0.00 C ATOM 776 C THR A 55 -0.599 2.670 9.459 1.00 0.00 C ATOM 777 O THR A 55 -0.582 3.769 10.011 1.00 0.00 O ATOM 778 CB THR A 55 -0.412 0.743 11.130 1.00 0.00 C ATOM 779 OG1 THR A 55 0.388 -0.428 11.268 1.00 0.00 O ATOM 780 CG2 THR A 55 -1.792 0.208 10.741 1.00 0.00 C ATOM 0 H THR A 55 1.471 2.588 11.326 1.00 0.00 H new ATOM 0 HA THR A 55 0.395 0.839 9.154 1.00 0.00 H new ATOM 0 HB THR A 55 -0.506 1.388 12.004 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.026 -0.989 11.985 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.222 -0.335 11.583 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.443 1.041 10.475 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.695 -0.464 9.888 1.00 0.00 H new ATOM 788 N GLY A 56 -1.326 2.377 8.391 1.00 0.00 N ATOM 789 CA GLY A 56 -2.186 3.373 7.775 1.00 0.00 C ATOM 790 C GLY A 56 -3.118 2.732 6.745 1.00 0.00 C ATOM 791 O GLY A 56 -3.251 1.510 6.699 1.00 0.00 O ATOM 0 H GLY A 56 -1.337 1.464 7.936 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.776 3.874 8.543 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.576 4.137 7.293 1.00 0.00 H new ATOM 795 N LEU A 57 -3.739 3.585 5.944 1.00 0.00 N ATOM 796 CA LEU A 57 -4.654 3.117 4.918 1.00 0.00 C ATOM 797 C LEU A 57 -3.885 2.905 3.612 1.00 0.00 C ATOM 798 O LEU A 57 -2.971 3.665 3.295 1.00 0.00 O ATOM 799 CB LEU A 57 -5.842 4.072 4.783 1.00 0.00 C ATOM 800 CG LEU A 57 -6.722 4.227 6.025 1.00 0.00 C ATOM 801 CD1 LEU A 57 -7.921 5.133 5.738 1.00 0.00 C ATOM 802 CD2 LEU A 57 -7.151 2.862 6.568 1.00 0.00 C ATOM 0 H LEU A 57 -3.626 4.598 5.985 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.079 2.153 5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.463 5.055 4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.468 3.728 3.959 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.132 4.711 6.803 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.530 5.226 6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.568 6.119 5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.521 4.700 4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.775 3.001 7.451 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.716 2.328 5.804 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.267 2.283 6.837 1.00 0.00 H new ATOM 814 N ILE A 58 -4.283 1.868 2.890 1.00 0.00 N ATOM 815 CA ILE A 58 -3.642 1.546 1.626 1.00 0.00 C ATOM 816 C ILE A 58 -4.715 1.258 0.574 1.00 0.00 C ATOM 817 O ILE A 58 -5.725 0.620 0.870 1.00 0.00 O ATOM 818 CB ILE A 58 -2.639 0.405 1.809 1.00 0.00 C ATOM 819 CG1 ILE A 58 -1.574 0.773 2.845 1.00 0.00 C ATOM 820 CG2 ILE A 58 -2.020 -0.001 0.470 1.00 0.00 C ATOM 821 CD1 ILE A 58 -0.985 -0.481 3.494 1.00 0.00 C ATOM 0 H ILE A 58 -5.041 1.240 3.156 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.061 2.395 1.266 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.175 -0.463 2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.780 1.347 2.367 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.012 1.412 3.612 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.311 -0.814 0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.806 -0.332 -0.209 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.501 0.853 0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.231 -0.192 4.226 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.778 -1.040 3.991 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.526 -1.106 2.728 1.00 0.00 H new ATOM 833 N PRO A 59 -4.454 1.756 -0.664 1.00 0.00 N ATOM 834 CA PRO A 59 -5.386 1.558 -1.762 1.00 0.00 C ATOM 835 C PRO A 59 -5.319 0.123 -2.287 1.00 0.00 C ATOM 836 O PRO A 59 -4.292 -0.302 -2.814 1.00 0.00 O ATOM 837 CB PRO A 59 -4.989 2.591 -2.805 1.00 0.00 C ATOM 838 CG PRO A 59 -3.571 3.012 -2.456 1.00 0.00 C ATOM 839 CD PRO A 59 -3.270 2.516 -1.051 1.00 0.00 C ATOM 0 HA PRO A 59 -6.425 1.693 -1.461 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.035 2.170 -3.809 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.666 3.445 -2.786 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.862 2.592 -3.169 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.471 4.096 -2.508 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.376 1.892 -1.034 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.092 3.346 -0.368 1.00 0.00 H new ATOM 847 N GLU A 60 -6.427 -0.585 -2.124 1.00 0.00 N ATOM 848 CA GLU A 60 -6.507 -1.964 -2.575 1.00 0.00 C ATOM 849 C GLU A 60 -6.281 -2.043 -4.086 1.00 0.00 C ATOM 850 O GLU A 60 -5.907 -3.092 -4.608 1.00 0.00 O ATOM 851 CB GLU A 60 -7.848 -2.591 -2.187 1.00 0.00 C ATOM 852 CG GLU A 60 -8.138 -3.833 -3.033 1.00 0.00 C ATOM 853 CD GLU A 60 -9.173 -4.730 -2.352 1.00 0.00 C ATOM 854 OE1 GLU A 60 -8.816 -5.319 -1.309 1.00 0.00 O ATOM 855 OE2 GLU A 60 -10.299 -4.806 -2.890 1.00 0.00 O ATOM 0 H GLU A 60 -7.277 -0.230 -1.686 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.720 -2.534 -2.080 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.835 -2.861 -1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.647 -1.861 -2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.503 -3.532 -4.015 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.216 -4.392 -3.193 1.00 0.00 H new ATOM 862 N ASN A 61 -6.519 -0.919 -4.747 1.00 0.00 N ATOM 863 CA ASN A 61 -6.347 -0.847 -6.188 1.00 0.00 C ATOM 864 C ASN A 61 -4.902 -0.455 -6.505 1.00 0.00 C ATOM 865 O ASN A 61 -4.603 -0.021 -7.617 1.00 0.00 O ATOM 866 CB ASN A 61 -7.269 0.208 -6.801 1.00 0.00 C ATOM 867 CG ASN A 61 -7.210 1.515 -6.007 1.00 0.00 C ATOM 868 OD1 ASN A 61 -7.824 1.666 -4.964 1.00 0.00 O ATOM 869 ND2 ASN A 61 -6.439 2.448 -6.558 1.00 0.00 N ATOM 0 H ASN A 61 -6.830 -0.051 -4.311 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.590 -1.824 -6.606 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -6.979 0.393 -7.835 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.293 -0.165 -6.819 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.334 3.356 -6.105 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.952 2.256 -7.434 1.00 0.00 H new ATOM 876 N TYR A 62 -4.045 -0.622 -5.509 1.00 0.00 N ATOM 877 CA TYR A 62 -2.639 -0.292 -5.669 1.00 0.00 C ATOM 878 C TYR A 62 -1.749 -1.339 -4.995 1.00 0.00 C ATOM 879 O TYR A 62 -0.550 -1.124 -4.828 1.00 0.00 O ATOM 880 CB TYR A 62 -2.441 1.055 -4.969 1.00 0.00 C ATOM 881 CG TYR A 62 -2.009 2.185 -5.906 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.777 2.499 -7.008 1.00 0.00 C ATOM 883 CD2 TYR A 62 -0.850 2.890 -5.648 1.00 0.00 C ATOM 884 CE1 TYR A 62 -2.370 3.563 -7.889 1.00 0.00 C ATOM 885 CE2 TYR A 62 -0.444 3.953 -6.529 1.00 0.00 C ATOM 886 CZ TYR A 62 -1.224 4.237 -7.606 1.00 0.00 C ATOM 887 OH TYR A 62 -0.840 5.242 -8.439 1.00 0.00 O ATOM 0 H TYR A 62 -4.297 -0.981 -4.588 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.370 -0.259 -6.725 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.372 1.339 -4.479 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.692 0.939 -4.186 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.683 1.947 -7.210 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.249 2.644 -4.785 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.962 3.820 -8.755 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.460 4.513 -6.339 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.004 5.635 -8.113 1.00 0.00 H new ATOM 897 N VAL A 63 -2.372 -2.448 -4.626 1.00 0.00 N ATOM 898 CA VAL A 63 -1.652 -3.529 -3.975 1.00 0.00 C ATOM 899 C VAL A 63 -1.985 -4.850 -4.671 1.00 0.00 C ATOM 900 O VAL A 63 -2.889 -4.907 -5.502 1.00 0.00 O ATOM 901 CB VAL A 63 -1.973 -3.545 -2.479 1.00 0.00 C ATOM 902 CG1 VAL A 63 -1.362 -2.331 -1.775 1.00 0.00 C ATOM 903 CG2 VAL A 63 -3.483 -3.613 -2.242 1.00 0.00 C ATOM 0 H VAL A 63 -3.367 -2.621 -4.765 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.576 -3.378 -4.062 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.526 -4.442 -2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.605 -2.366 -0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.279 -2.344 -1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.766 -1.417 -2.210 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.683 -3.623 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.961 -2.743 -2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.882 -4.521 -2.694 1.00 0.00 H new ATOM 913 N GLU A 64 -1.235 -5.880 -4.306 1.00 0.00 N ATOM 914 CA GLU A 64 -1.439 -7.197 -4.885 1.00 0.00 C ATOM 915 C GLU A 64 -1.027 -8.284 -3.890 1.00 0.00 C ATOM 916 O GLU A 64 0.120 -8.726 -3.888 1.00 0.00 O ATOM 917 CB GLU A 64 -0.674 -7.341 -6.202 1.00 0.00 C ATOM 918 CG GLU A 64 -0.457 -8.815 -6.552 1.00 0.00 C ATOM 919 CD GLU A 64 -0.624 -9.052 -8.054 1.00 0.00 C ATOM 920 OE1 GLU A 64 -1.740 -8.788 -8.550 1.00 0.00 O ATOM 921 OE2 GLU A 64 0.370 -9.491 -8.673 1.00 0.00 O ATOM 0 H GLU A 64 -0.485 -5.829 -3.616 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.500 -7.316 -5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.227 -6.851 -7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.289 -6.836 -6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.541 -9.123 -6.240 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.168 -9.432 -6.002 1.00 0.00 H new ATOM 928 N PHE A 65 -1.987 -8.683 -3.068 1.00 0.00 N ATOM 929 CA PHE A 65 -1.739 -9.710 -2.071 1.00 0.00 C ATOM 930 C PHE A 65 -0.858 -10.824 -2.638 1.00 0.00 C ATOM 931 O PHE A 65 -1.098 -11.308 -3.743 1.00 0.00 O ATOM 932 CB PHE A 65 -3.098 -10.297 -1.685 1.00 0.00 C ATOM 933 CG PHE A 65 -3.899 -9.427 -0.715 1.00 0.00 C ATOM 934 CD1 PHE A 65 -4.752 -8.482 -1.193 1.00 0.00 C ATOM 935 CD2 PHE A 65 -3.758 -9.598 0.627 1.00 0.00 C ATOM 936 CE1 PHE A 65 -5.496 -7.675 -0.293 1.00 0.00 C ATOM 937 CE2 PHE A 65 -4.502 -8.791 1.528 1.00 0.00 C ATOM 938 CZ PHE A 65 -5.355 -7.846 1.049 1.00 0.00 C ATOM 0 H PHE A 65 -2.938 -8.313 -3.072 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.224 -9.278 -1.213 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.686 -10.450 -2.590 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.944 -11.278 -1.235 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.863 -8.345 -2.259 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.080 -10.348 1.007 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.174 -6.925 -0.674 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.391 -8.928 2.594 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.920 -7.232 1.734 1.00 0.00 H new ATOM 948 N LEU A 66 0.144 -11.199 -1.856 1.00 0.00 N ATOM 949 CA LEU A 66 1.062 -12.248 -2.267 1.00 0.00 C ATOM 950 C LEU A 66 0.643 -13.569 -1.620 1.00 0.00 C ATOM 951 O LEU A 66 1.244 -14.002 -0.639 1.00 0.00 O ATOM 952 CB LEU A 66 2.507 -11.845 -1.962 1.00 0.00 C ATOM 953 CG LEU A 66 2.871 -10.387 -2.249 1.00 0.00 C ATOM 954 CD1 LEU A 66 3.623 -9.767 -1.069 1.00 0.00 C ATOM 955 CD2 LEU A 66 3.656 -10.265 -3.557 1.00 0.00 C ATOM 0 H LEU A 66 0.340 -10.795 -0.940 1.00 0.00 H new ATOM 0 HA LEU A 66 1.016 -12.393 -3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.706 -12.048 -0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.172 -12.486 -2.541 1.00 0.00 H new ATOM 0 HG LEU A 66 1.947 -9.823 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.870 -8.731 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.995 -9.801 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.541 -10.327 -0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.902 -9.219 -3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.575 -10.847 -3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.051 -10.643 -4.381 1.00 0.00 H new