USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 538 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 Single : A 12 ASN : amide:sc= -0.439 X(o=-0.44,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.62 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 61:sc= -0.22 USER MOD Single : A 34 CYS SG : rot -112:sc= -1.39 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -162:sc= -0.0399 (180deg=-0.63) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -98:sc= -5.18! USER MOD Single : A 44 LYS NZ :NH3+ -138:sc= -3.69! (180deg=-6.53!) USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= -0.254 (180deg=-1.35!) USER MOD Single : A 50 CYS SG : rot 174:sc= -0.83 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 149:sc= -0.327 (180deg=-1.44!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 141:sc= -1.6! USER MOD Single : A 62 MET CE :methyl 167:sc= -0.225 (180deg=-0.52) USER MOD Single : A 63 LYS NZ :NH3+ -150:sc= -0.119 (180deg=-0.83) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.19 K(o=-1.2,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -105:sc= -2.14 (180deg=-5!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 143 N ASN A 12 -7.069 -1.966 6.117 1.00 0.00 N ATOM 144 CA ASN A 12 -7.961 -1.088 5.369 1.00 0.00 C ATOM 145 C ASN A 12 -7.164 -0.006 4.643 1.00 0.00 C ATOM 146 O ASN A 12 -6.478 -0.285 3.661 1.00 0.00 O ATOM 147 CB ASN A 12 -8.974 -0.439 6.314 1.00 0.00 C ATOM 148 CG ASN A 12 -9.791 -1.516 7.020 1.00 0.00 C ATOM 149 OD1 ASN A 12 -10.054 -1.412 8.218 1.00 0.00 O ATOM 150 ND2 ASN A 12 -10.212 -2.550 6.345 1.00 0.00 N ATOM 0 HA ASN A 12 -8.493 -1.687 4.629 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -8.456 0.177 7.049 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -9.635 0.222 5.754 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -10.760 -3.274 6.810 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -9.993 -2.635 5.352 1.00 0.00 H new ATOM 157 N LEU A 13 -7.265 1.232 5.130 1.00 0.00 N ATOM 158 CA LEU A 13 -6.555 2.362 4.522 1.00 0.00 C ATOM 159 C LEU A 13 -5.412 2.824 5.421 1.00 0.00 C ATOM 160 O LEU A 13 -4.753 2.014 6.075 1.00 0.00 O ATOM 161 CB LEU A 13 -7.527 3.527 4.304 1.00 0.00 C ATOM 162 CG LEU A 13 -8.849 3.000 3.740 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.799 4.172 3.487 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.589 2.263 2.422 1.00 0.00 C ATOM 0 H LEU A 13 -7.830 1.479 5.942 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.145 2.038 3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.704 4.046 5.246 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.091 4.253 3.617 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.299 2.313 4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.740 3.797 3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.987 4.696 4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.347 4.859 2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.531 1.889 2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.137 2.948 1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.913 1.427 2.600 1.00 0.00 H new ATOM 176 N ALA A 14 -5.189 4.136 5.451 1.00 0.00 N ATOM 177 CA ALA A 14 -4.129 4.720 6.273 1.00 0.00 C ATOM 178 C ALA A 14 -4.585 6.066 6.828 1.00 0.00 C ATOM 179 O ALA A 14 -5.314 6.805 6.167 1.00 0.00 O ATOM 180 CB ALA A 14 -2.858 4.907 5.440 1.00 0.00 C ATOM 0 H ALA A 14 -5.728 4.816 4.915 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.913 4.045 7.101 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.076 5.342 6.062 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.525 3.940 5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.067 5.572 4.602 1.00 0.00 H new ATOM 186 N ASN A 15 -4.158 6.373 8.046 1.00 0.00 N ATOM 187 CA ASN A 15 -4.539 7.628 8.684 1.00 0.00 C ATOM 188 C ASN A 15 -3.880 8.818 7.993 1.00 0.00 C ATOM 189 O ASN A 15 -4.379 9.316 6.985 1.00 0.00 O ATOM 190 CB ASN A 15 -4.138 7.604 10.160 1.00 0.00 C ATOM 191 CG ASN A 15 -4.915 6.515 10.893 1.00 0.00 C ATOM 192 OD1 ASN A 15 -6.110 6.667 11.144 1.00 0.00 O ATOM 193 ND2 ASN A 15 -4.304 5.419 11.253 1.00 0.00 N ATOM 0 H ASN A 15 -3.552 5.776 8.609 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.620 7.737 8.600 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.067 7.423 10.252 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.337 8.574 10.616 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.817 4.687 11.743 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.313 5.295 11.044 1.00 0.00 H new ATOM 200 N ARG A 16 -2.765 9.280 8.555 1.00 0.00 N ATOM 201 CA ARG A 16 -2.051 10.425 7.998 1.00 0.00 C ATOM 202 C ARG A 16 -1.647 10.168 6.546 1.00 0.00 C ATOM 203 O ARG A 16 -2.494 9.882 5.700 1.00 0.00 O ATOM 204 CB ARG A 16 -0.808 10.722 8.840 1.00 0.00 C ATOM 205 CG ARG A 16 -1.179 10.689 10.324 1.00 0.00 C ATOM 206 CD ARG A 16 -0.048 11.310 11.146 1.00 0.00 C ATOM 207 NE ARG A 16 -0.411 11.344 12.559 1.00 0.00 N ATOM 208 CZ ARG A 16 0.409 11.865 13.466 1.00 0.00 C ATOM 209 NH1 ARG A 16 1.561 12.358 13.098 1.00 0.00 N ATOM 210 NH2 ARG A 16 0.062 11.886 14.724 1.00 0.00 N ATOM 0 H ARG A 16 -2.339 8.881 9.391 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.718 11.287 8.018 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.030 9.987 8.632 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.402 11.699 8.577 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.107 11.236 10.490 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.354 9.662 10.644 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.867 10.734 11.012 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.157 12.320 10.791 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.309 10.962 12.855 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.831 12.343 12.115 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.190 12.758 13.794 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.839 11.503 15.011 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.691 12.286 15.420 1.00 0.00 H new ATOM 224 N LYS A 17 -0.349 10.279 6.257 1.00 0.00 N ATOM 225 CA LYS A 17 0.147 10.064 4.897 1.00 0.00 C ATOM 226 C LYS A 17 1.498 9.359 4.911 1.00 0.00 C ATOM 227 O LYS A 17 1.944 8.863 5.946 1.00 0.00 O ATOM 228 CB LYS A 17 0.281 11.408 4.175 1.00 0.00 C ATOM 229 CG LYS A 17 1.396 12.230 4.826 1.00 0.00 C ATOM 230 CD LYS A 17 1.298 13.684 4.359 1.00 0.00 C ATOM 231 CE LYS A 17 2.537 14.453 4.821 1.00 0.00 C ATOM 232 NZ LYS A 17 2.426 15.877 4.396 1.00 0.00 N ATOM 0 H LYS A 17 0.372 10.514 6.940 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.568 9.431 4.371 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.503 11.245 3.120 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.662 11.953 4.222 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.313 12.179 5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.369 11.817 4.561 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.217 13.723 3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.398 14.147 4.763 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.632 14.392 5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.435 14.005 4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.268 16.400 4.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.355 15.925 3.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.577 16.301 4.821 1.00 0.00 H new ATOM 246 N ILE A 18 2.143 9.318 3.744 1.00 0.00 N ATOM 247 CA ILE A 18 3.450 8.670 3.595 1.00 0.00 C ATOM 248 C ILE A 18 4.461 9.693 3.039 1.00 0.00 C ATOM 249 O ILE A 18 4.116 10.469 2.147 1.00 0.00 O ATOM 250 CB ILE A 18 3.289 7.464 2.624 1.00 0.00 C ATOM 251 CG1 ILE A 18 3.064 6.145 3.407 1.00 0.00 C ATOM 252 CG2 ILE A 18 4.493 7.321 1.677 1.00 0.00 C ATOM 253 CD1 ILE A 18 4.339 5.666 4.131 1.00 0.00 C ATOM 0 H ILE A 18 1.780 9.728 2.883 1.00 0.00 H new ATOM 0 HA ILE A 18 3.819 8.310 4.556 1.00 0.00 H new ATOM 0 HB ILE A 18 2.408 7.665 2.014 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.268 6.290 4.137 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.727 5.370 2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.338 6.467 1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.596 8.227 1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.400 7.168 2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.128 4.739 4.664 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.129 5.493 3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.662 6.427 4.841 1.00 0.00 H new ATOM 265 N PRO A 19 5.691 9.710 3.514 1.00 0.00 N ATOM 266 CA PRO A 19 6.721 10.668 2.999 1.00 0.00 C ATOM 267 C PRO A 19 7.041 10.405 1.522 1.00 0.00 C ATOM 268 O PRO A 19 7.148 9.255 1.096 1.00 0.00 O ATOM 269 CB PRO A 19 7.941 10.416 3.905 1.00 0.00 C ATOM 270 CG PRO A 19 7.749 9.032 4.429 1.00 0.00 C ATOM 271 CD PRO A 19 6.245 8.848 4.578 1.00 0.00 C ATOM 0 HA PRO A 19 6.388 11.705 3.032 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.873 10.501 3.346 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.988 11.143 4.716 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.167 8.294 3.745 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.255 8.903 5.386 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.952 7.807 4.446 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.898 9.154 5.565 1.00 0.00 H new ATOM 279 N LEU A 20 7.168 11.480 0.747 1.00 0.00 N ATOM 280 CA LEU A 20 7.447 11.360 -0.685 1.00 0.00 C ATOM 281 C LEU A 20 8.882 10.889 -0.953 1.00 0.00 C ATOM 282 O LEU A 20 9.163 10.322 -2.009 1.00 0.00 O ATOM 283 CB LEU A 20 7.196 12.716 -1.378 1.00 0.00 C ATOM 284 CG LEU A 20 5.720 12.833 -1.775 1.00 0.00 C ATOM 285 CD1 LEU A 20 4.842 12.722 -0.529 1.00 0.00 C ATOM 286 CD2 LEU A 20 5.471 14.182 -2.455 1.00 0.00 C ATOM 0 H LEU A 20 7.083 12.439 1.083 1.00 0.00 H new ATOM 0 HA LEU A 20 6.775 10.606 -1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.467 13.532 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.828 12.805 -2.262 1.00 0.00 H new ATOM 0 HG LEU A 20 5.472 12.029 -2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.793 12.806 -0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.012 11.758 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.094 13.523 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.420 14.260 -2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.724 14.989 -1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.091 14.259 -3.348 1.00 0.00 H new ATOM 298 N GLN A 21 9.788 11.139 -0.014 1.00 0.00 N ATOM 299 CA GLN A 21 11.186 10.745 -0.196 1.00 0.00 C ATOM 300 C GLN A 21 11.344 9.221 -0.259 1.00 0.00 C ATOM 301 O GLN A 21 12.121 8.707 -1.063 1.00 0.00 O ATOM 302 CB GLN A 21 12.041 11.310 0.944 1.00 0.00 C ATOM 303 CG GLN A 21 11.309 11.135 2.274 1.00 0.00 C ATOM 304 CD GLN A 21 12.259 11.415 3.433 1.00 0.00 C ATOM 305 OE1 GLN A 21 13.147 10.611 3.717 1.00 0.00 O ATOM 306 NE2 GLN A 21 12.126 12.515 4.123 1.00 0.00 N ATOM 0 H GLN A 21 9.587 11.606 0.870 1.00 0.00 H new ATOM 0 HA GLN A 21 11.525 11.155 -1.148 1.00 0.00 H new ATOM 0 HB2 GLN A 21 13.003 10.799 0.978 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.247 12.366 0.768 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.456 11.812 2.321 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.916 10.121 2.352 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.390 13.180 3.886 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.758 12.710 4.899 1.00 0.00 H new ATOM 315 N ARG A 22 10.623 8.506 0.600 1.00 0.00 N ATOM 316 CA ARG A 22 10.712 7.045 0.637 1.00 0.00 C ATOM 317 C ARG A 22 9.805 6.406 -0.416 1.00 0.00 C ATOM 318 O ARG A 22 10.222 5.508 -1.147 1.00 0.00 O ATOM 319 CB ARG A 22 10.318 6.553 2.036 1.00 0.00 C ATOM 320 CG ARG A 22 11.370 7.019 3.078 1.00 0.00 C ATOM 321 CD ARG A 22 10.690 7.434 4.395 1.00 0.00 C ATOM 322 NE ARG A 22 11.612 7.263 5.512 1.00 0.00 N ATOM 323 CZ ARG A 22 11.167 7.167 6.761 1.00 0.00 C ATOM 324 NH1 ARG A 22 9.887 7.224 7.005 1.00 0.00 N ATOM 325 NH2 ARG A 22 12.013 7.014 7.744 1.00 0.00 N ATOM 0 H ARG A 22 9.974 8.909 1.276 1.00 0.00 H new ATOM 0 HA ARG A 22 11.738 6.753 0.414 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.334 6.939 2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.246 5.465 2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.081 6.215 3.268 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.938 7.858 2.677 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.368 8.474 4.335 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.796 6.832 4.557 1.00 0.00 H new ATOM 0 HE ARG A 22 12.615 7.216 5.332 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.226 7.342 6.237 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.547 7.150 7.964 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.014 6.968 7.553 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.673 6.940 8.703 1.00 0.00 H new ATOM 339 N LEU A 23 8.565 6.879 -0.484 1.00 0.00 N ATOM 340 CA LEU A 23 7.590 6.361 -1.447 1.00 0.00 C ATOM 341 C LEU A 23 8.260 6.077 -2.795 1.00 0.00 C ATOM 342 O LEU A 23 9.029 6.892 -3.302 1.00 0.00 O ATOM 343 CB LEU A 23 6.449 7.401 -1.568 1.00 0.00 C ATOM 344 CG LEU A 23 5.692 7.356 -2.918 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.547 7.944 -4.069 1.00 0.00 C ATOM 346 CD2 LEU A 23 5.221 5.917 -3.248 1.00 0.00 C ATOM 0 H LEU A 23 8.207 7.622 0.116 1.00 0.00 H new ATOM 0 HA LEU A 23 7.176 5.412 -1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.737 7.239 -0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.866 8.399 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 23 4.805 7.982 -2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.984 7.896 -5.001 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.792 8.982 -3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.467 7.368 -4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.693 5.917 -4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.086 5.257 -3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.553 5.564 -2.463 1.00 0.00 H new ATOM 358 N GLU A 24 7.970 4.903 -3.363 1.00 0.00 N ATOM 359 CA GLU A 24 8.546 4.501 -4.651 1.00 0.00 C ATOM 360 C GLU A 24 7.490 4.553 -5.757 1.00 0.00 C ATOM 361 O GLU A 24 7.636 5.289 -6.732 1.00 0.00 O ATOM 362 CB GLU A 24 9.102 3.079 -4.547 1.00 0.00 C ATOM 363 CG GLU A 24 9.588 2.613 -5.922 1.00 0.00 C ATOM 364 CD GLU A 24 10.439 1.355 -5.776 1.00 0.00 C ATOM 365 OE1 GLU A 24 9.864 0.292 -5.616 1.00 0.00 O ATOM 366 OE2 GLU A 24 11.652 1.475 -5.827 1.00 0.00 O ATOM 0 H GLU A 24 7.340 4.214 -2.952 1.00 0.00 H new ATOM 0 HA GLU A 24 9.349 5.194 -4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.924 3.051 -3.831 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.332 2.403 -4.175 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.735 2.412 -6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.170 3.402 -6.398 1.00 0.00 H new ATOM 373 N SER A 25 6.426 3.766 -5.594 1.00 0.00 N ATOM 374 CA SER A 25 5.348 3.729 -6.582 1.00 0.00 C ATOM 375 C SER A 25 4.045 3.257 -5.936 1.00 0.00 C ATOM 376 O SER A 25 4.045 2.777 -4.803 1.00 0.00 O ATOM 377 CB SER A 25 5.722 2.785 -7.726 1.00 0.00 C ATOM 378 OG SER A 25 4.547 2.421 -8.437 1.00 0.00 O ATOM 0 H SER A 25 6.288 3.150 -4.793 1.00 0.00 H new ATOM 0 HA SER A 25 5.203 4.736 -6.973 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.431 3.271 -8.397 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.213 1.895 -7.333 1.00 0.00 H new ATOM 0 HG SER A 25 4.783 1.817 -9.172 1.00 0.00 H new ATOM 384 N TYR A 26 2.930 3.396 -6.665 1.00 0.00 N ATOM 385 CA TYR A 26 1.618 2.979 -6.151 1.00 0.00 C ATOM 386 C TYR A 26 1.090 1.768 -6.920 1.00 0.00 C ATOM 387 O TYR A 26 1.708 1.311 -7.882 1.00 0.00 O ATOM 388 CB TYR A 26 0.613 4.135 -6.261 1.00 0.00 C ATOM 389 CG TYR A 26 0.269 4.387 -7.713 1.00 0.00 C ATOM 390 CD1 TYR A 26 1.174 5.062 -8.541 1.00 0.00 C ATOM 391 CD2 TYR A 26 -0.957 3.948 -8.228 1.00 0.00 C ATOM 392 CE1 TYR A 26 0.855 5.297 -9.883 1.00 0.00 C ATOM 393 CE2 TYR A 26 -1.277 4.184 -9.571 1.00 0.00 C ATOM 394 CZ TYR A 26 -0.371 4.858 -10.398 1.00 0.00 C ATOM 395 OH TYR A 26 -0.686 5.090 -11.722 1.00 0.00 O ATOM 0 H TYR A 26 2.909 3.791 -7.605 1.00 0.00 H new ATOM 0 HA TYR A 26 1.739 2.702 -5.104 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.291 3.896 -5.701 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.034 5.037 -5.817 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.119 5.402 -8.144 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.656 3.428 -7.590 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.554 5.817 -10.521 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.223 3.846 -9.968 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.572 4.720 -11.917 1.00 0.00 H new ATOM 405 N ARG A 27 -0.061 1.259 -6.486 1.00 0.00 N ATOM 406 CA ARG A 27 -0.677 0.103 -7.133 1.00 0.00 C ATOM 407 C ARG A 27 -2.076 -0.132 -6.571 1.00 0.00 C ATOM 408 O ARG A 27 -2.326 0.110 -5.392 1.00 0.00 O ATOM 409 CB ARG A 27 0.176 -1.150 -6.904 1.00 0.00 C ATOM 410 CG ARG A 27 -0.270 -2.283 -7.864 1.00 0.00 C ATOM 411 CD ARG A 27 -0.222 -3.638 -7.148 1.00 0.00 C ATOM 412 NE ARG A 27 -0.184 -4.723 -8.123 1.00 0.00 N ATOM 413 CZ ARG A 27 -0.397 -5.983 -7.757 1.00 0.00 C ATOM 414 NH1 ARG A 27 -0.645 -6.267 -6.508 1.00 0.00 N ATOM 415 NH2 ARG A 27 -0.359 -6.936 -8.648 1.00 0.00 N ATOM 0 H ARG A 27 -0.584 1.627 -5.692 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.745 0.303 -8.202 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.228 -0.918 -7.068 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.080 -1.481 -5.870 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.281 -2.089 -8.222 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.379 -2.304 -8.739 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.657 -3.687 -6.505 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.095 -3.748 -6.504 1.00 0.00 H new ATOM 0 HE ARG A 27 0.009 -4.511 -9.102 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.676 -5.522 -5.812 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.808 -7.234 -6.228 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.166 -6.714 -9.625 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.522 -7.903 -8.368 1.00 0.00 H new ATOM 429 N ARG A 28 -2.989 -0.605 -7.418 1.00 0.00 N ATOM 430 CA ARG A 28 -4.362 -0.863 -6.982 1.00 0.00 C ATOM 431 C ARG A 28 -4.472 -2.249 -6.340 1.00 0.00 C ATOM 432 O ARG A 28 -3.691 -3.150 -6.649 1.00 0.00 O ATOM 433 CB ARG A 28 -5.325 -0.739 -8.190 1.00 0.00 C ATOM 434 CG ARG A 28 -6.515 0.170 -7.844 1.00 0.00 C ATOM 435 CD ARG A 28 -7.553 0.105 -8.965 1.00 0.00 C ATOM 436 NE ARG A 28 -8.724 0.902 -8.614 1.00 0.00 N ATOM 437 CZ ARG A 28 -9.581 1.309 -9.544 1.00 0.00 C ATOM 438 NH1 ARG A 28 -9.385 0.994 -10.795 1.00 0.00 N ATOM 439 NH2 ARG A 28 -10.620 2.021 -9.206 1.00 0.00 N ATOM 0 H ARG A 28 -2.807 -0.816 -8.399 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.641 -0.123 -6.232 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.789 -0.334 -9.049 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.686 -1.727 -8.476 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.963 -0.144 -6.901 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.174 1.197 -7.709 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.119 0.473 -9.894 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.847 -0.930 -9.139 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.887 1.151 -7.638 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.574 0.435 -11.059 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.043 1.307 -11.509 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.774 2.265 -8.228 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.278 2.334 -9.920 1.00 0.00 H new ATOM 453 N ILE A 29 -5.447 -2.407 -5.442 1.00 0.00 N ATOM 454 CA ILE A 29 -5.660 -3.686 -4.750 1.00 0.00 C ATOM 455 C ILE A 29 -6.823 -4.445 -5.394 1.00 0.00 C ATOM 456 O ILE A 29 -7.226 -5.503 -4.912 1.00 0.00 O ATOM 457 CB ILE A 29 -5.950 -3.446 -3.238 1.00 0.00 C ATOM 458 CG1 ILE A 29 -5.487 -2.035 -2.837 1.00 0.00 C ATOM 459 CG2 ILE A 29 -5.202 -4.486 -2.388 1.00 0.00 C ATOM 460 CD1 ILE A 29 -5.755 -1.796 -1.347 1.00 0.00 C ATOM 0 H ILE A 29 -6.100 -1.670 -5.176 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.753 -4.284 -4.839 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.022 -3.542 -3.065 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.423 -1.920 -3.046 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.012 -1.289 -3.433 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.410 -4.311 -1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.534 -5.487 -2.662 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.130 -4.398 -2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.423 -0.794 -1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.823 -1.891 -1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.210 -2.532 -0.757 1.00 0.00 H new ATOM 472 N THR A 30 -7.356 -3.893 -6.480 1.00 0.00 N ATOM 473 CA THR A 30 -8.471 -4.526 -7.176 1.00 0.00 C ATOM 474 C THR A 30 -8.060 -5.893 -7.717 1.00 0.00 C ATOM 475 O THR A 30 -7.913 -6.073 -8.926 1.00 0.00 O ATOM 476 CB THR A 30 -8.937 -3.639 -8.332 1.00 0.00 C ATOM 477 OG1 THR A 30 -7.818 -3.276 -9.128 1.00 0.00 O ATOM 478 CG2 THR A 30 -9.602 -2.380 -7.774 1.00 0.00 C ATOM 0 H THR A 30 -7.037 -3.017 -6.894 1.00 0.00 H new ATOM 0 HA THR A 30 -9.288 -4.658 -6.467 1.00 0.00 H new ATOM 0 HB THR A 30 -9.655 -4.184 -8.944 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.401 -4.084 -9.494 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.934 -1.748 -8.598 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.460 -2.662 -7.164 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.886 -1.831 -7.162 1.00 0.00 H new ATOM 526 N CYS A 34 -9.471 -6.559 -0.628 1.00 0.00 N ATOM 527 CA CYS A 34 -9.488 -5.425 0.291 1.00 0.00 C ATOM 528 C CYS A 34 -10.767 -4.607 0.084 1.00 0.00 C ATOM 529 O CYS A 34 -11.509 -4.843 -0.870 1.00 0.00 O ATOM 530 CB CYS A 34 -8.230 -4.555 0.056 1.00 0.00 C ATOM 531 SG CYS A 34 -7.232 -4.468 1.570 1.00 0.00 S ATOM 0 HA CYS A 34 -9.477 -5.783 1.320 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -7.636 -4.975 -0.756 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -8.526 -3.552 -0.251 1.00 0.00 H new ATOM 0 HG CYS A 34 -7.264 -3.257 2.042 1.00 0.00 H new ATOM 536 N PRO A 35 -11.037 -3.656 0.948 1.00 0.00 N ATOM 537 CA PRO A 35 -12.254 -2.794 0.835 1.00 0.00 C ATOM 538 C PRO A 35 -12.395 -2.183 -0.561 1.00 0.00 C ATOM 539 O PRO A 35 -11.721 -2.596 -1.503 1.00 0.00 O ATOM 540 CB PRO A 35 -12.024 -1.705 1.895 1.00 0.00 C ATOM 541 CG PRO A 35 -11.125 -2.336 2.905 1.00 0.00 C ATOM 542 CD PRO A 35 -10.224 -3.296 2.128 1.00 0.00 C ATOM 0 HA PRO A 35 -13.175 -3.356 0.990 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.566 -0.818 1.457 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -12.964 -1.388 2.346 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.534 -1.582 3.426 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -11.701 -2.868 3.662 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -9.286 -2.821 1.839 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.967 -4.174 2.721 1.00 0.00 H new ATOM 550 N GLN A 36 -13.272 -1.191 -0.681 1.00 0.00 N ATOM 551 CA GLN A 36 -13.487 -0.526 -1.965 1.00 0.00 C ATOM 552 C GLN A 36 -12.157 -0.269 -2.667 1.00 0.00 C ATOM 553 O GLN A 36 -11.111 -0.191 -2.023 1.00 0.00 O ATOM 554 CB GLN A 36 -14.216 0.802 -1.747 1.00 0.00 C ATOM 555 CG GLN A 36 -13.502 1.605 -0.657 1.00 0.00 C ATOM 556 CD GLN A 36 -14.244 2.913 -0.403 1.00 0.00 C ATOM 557 OE1 GLN A 36 -14.399 3.727 -1.313 1.00 0.00 O ATOM 558 NE2 GLN A 36 -14.714 3.164 0.788 1.00 0.00 N ATOM 0 H GLN A 36 -13.841 -0.832 0.086 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.095 -1.177 -2.593 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -14.241 1.372 -2.676 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.251 0.618 -1.458 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.452 1.021 0.262 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -12.476 1.812 -0.960 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.584 2.488 1.540 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.211 4.036 0.967 1.00 0.00 H new ATOM 567 N LYS A 37 -12.202 -0.139 -3.991 1.00 0.00 N ATOM 568 CA LYS A 37 -10.991 0.107 -4.770 1.00 0.00 C ATOM 569 C LYS A 37 -10.091 1.118 -4.061 1.00 0.00 C ATOM 570 O LYS A 37 -10.553 2.172 -3.621 1.00 0.00 O ATOM 571 CB LYS A 37 -11.363 0.637 -6.157 1.00 0.00 C ATOM 572 CG LYS A 37 -12.527 -0.181 -6.719 1.00 0.00 C ATOM 573 CD LYS A 37 -12.687 0.118 -8.212 1.00 0.00 C ATOM 574 CE LYS A 37 -13.982 -0.517 -8.723 1.00 0.00 C ATOM 575 NZ LYS A 37 -14.041 -1.943 -8.290 1.00 0.00 N ATOM 0 H LYS A 37 -13.057 -0.199 -4.544 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.450 -0.834 -4.872 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.641 1.689 -6.094 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.504 0.574 -6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.344 -1.245 -6.568 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.447 0.063 -6.188 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.707 1.195 -8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.834 -0.274 -8.766 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.844 0.027 -8.337 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.026 -0.454 -9.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.737 -2.453 -8.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.105 -2.381 -8.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.322 -1.991 -7.290 1.00 0.00 H new ATOM 589 N ALA A 38 -8.806 0.788 -3.950 1.00 0.00 N ATOM 590 CA ALA A 38 -7.848 1.673 -3.287 1.00 0.00 C ATOM 591 C ALA A 38 -6.460 1.517 -3.897 1.00 0.00 C ATOM 592 O ALA A 38 -6.229 0.626 -4.712 1.00 0.00 O ATOM 593 CB ALA A 38 -7.796 1.354 -1.788 1.00 0.00 C ATOM 0 H ALA A 38 -8.405 -0.079 -4.307 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.174 2.704 -3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.081 2.016 -1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.784 1.500 -1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.486 0.318 -1.647 1.00 0.00 H new ATOM 599 N VAL A 39 -5.536 2.394 -3.497 1.00 0.00 N ATOM 600 CA VAL A 39 -4.159 2.354 -4.003 1.00 0.00 C ATOM 601 C VAL A 39 -3.183 2.097 -2.855 1.00 0.00 C ATOM 602 O VAL A 39 -3.408 2.543 -1.730 1.00 0.00 O ATOM 603 CB VAL A 39 -3.822 3.675 -4.706 1.00 0.00 C ATOM 604 CG1 VAL A 39 -4.947 4.031 -5.682 1.00 0.00 C ATOM 605 CG2 VAL A 39 -3.670 4.794 -3.672 1.00 0.00 C ATOM 0 H VAL A 39 -5.715 3.140 -2.825 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.069 1.541 -4.723 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.884 3.563 -5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.710 4.970 -6.183 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.049 3.239 -6.424 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.883 4.138 -5.134 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.431 5.728 -4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.603 4.909 -3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.868 4.542 -2.979 1.00 0.00 H new ATOM 615 N ILE A 40 -2.110 1.357 -3.141 1.00 0.00 N ATOM 616 CA ILE A 40 -1.108 1.019 -2.122 1.00 0.00 C ATOM 617 C ILE A 40 0.240 1.669 -2.434 1.00 0.00 C ATOM 618 O ILE A 40 0.896 1.311 -3.412 1.00 0.00 O ATOM 619 CB ILE A 40 -0.944 -0.518 -2.063 1.00 0.00 C ATOM 620 CG1 ILE A 40 -2.114 -1.129 -1.287 1.00 0.00 C ATOM 621 CG2 ILE A 40 0.371 -0.908 -1.369 1.00 0.00 C ATOM 622 CD1 ILE A 40 -2.134 -2.643 -1.516 1.00 0.00 C ATOM 0 H ILE A 40 -1.911 0.980 -4.067 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.450 1.398 -1.159 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.928 -0.897 -3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.014 -0.911 -0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.055 -0.687 -1.616 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.460 -1.994 -1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.212 -0.489 -1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.375 -0.518 -0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.965 -3.083 -0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.254 -2.849 -2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.197 -3.076 -1.166 1.00 0.00 H new ATOM 634 N PHE A 41 0.669 2.594 -1.574 1.00 0.00 N ATOM 635 CA PHE A 41 1.966 3.244 -1.754 1.00 0.00 C ATOM 636 C PHE A 41 3.034 2.431 -1.038 1.00 0.00 C ATOM 637 O PHE A 41 2.971 2.247 0.178 1.00 0.00 O ATOM 638 CB PHE A 41 1.952 4.662 -1.178 1.00 0.00 C ATOM 639 CG PHE A 41 0.876 5.479 -1.854 1.00 0.00 C ATOM 640 CD1 PHE A 41 1.030 5.879 -3.188 1.00 0.00 C ATOM 641 CD2 PHE A 41 -0.267 5.847 -1.142 1.00 0.00 C ATOM 642 CE1 PHE A 41 0.037 6.648 -3.808 1.00 0.00 C ATOM 643 CE2 PHE A 41 -1.255 6.615 -1.758 1.00 0.00 C ATOM 644 CZ PHE A 41 -1.106 7.016 -3.092 1.00 0.00 C ATOM 0 H PHE A 41 0.145 2.906 -0.757 1.00 0.00 H new ATOM 0 HA PHE A 41 2.180 3.302 -2.821 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.773 4.626 -0.103 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.924 5.133 -1.323 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.915 5.594 -3.738 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.386 5.537 -0.114 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.154 6.956 -4.837 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.137 6.901 -1.205 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.874 7.609 -3.567 1.00 0.00 H new ATOM 654 N LYS A 42 4.012 1.937 -1.791 1.00 0.00 N ATOM 655 CA LYS A 42 5.088 1.136 -1.207 1.00 0.00 C ATOM 656 C LYS A 42 6.330 1.991 -0.999 1.00 0.00 C ATOM 657 O LYS A 42 6.553 2.967 -1.714 1.00 0.00 O ATOM 658 CB LYS A 42 5.414 -0.043 -2.130 1.00 0.00 C ATOM 659 CG LYS A 42 6.089 0.462 -3.413 1.00 0.00 C ATOM 660 CD LYS A 42 5.965 -0.592 -4.521 1.00 0.00 C ATOM 661 CE LYS A 42 6.427 -1.954 -3.995 1.00 0.00 C ATOM 662 NZ LYS A 42 6.676 -2.871 -5.144 1.00 0.00 N ATOM 0 H LYS A 42 4.084 2.074 -2.799 1.00 0.00 H new ATOM 0 HA LYS A 42 4.760 0.756 -0.240 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.070 -0.746 -1.617 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.501 -0.583 -2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.626 1.395 -3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.140 0.677 -3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.932 -0.655 -4.862 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.567 -0.301 -5.382 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.336 -1.839 -3.404 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.669 -2.377 -3.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.990 -3.796 -4.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.799 -2.989 -5.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.413 -2.468 -5.757 1.00 0.00 H new ATOM 676 N THR A 43 7.133 1.621 -0.006 1.00 0.00 N ATOM 677 CA THR A 43 8.353 2.363 0.303 1.00 0.00 C ATOM 678 C THR A 43 9.406 1.419 0.881 1.00 0.00 C ATOM 679 O THR A 43 9.138 0.238 1.108 1.00 0.00 O ATOM 680 CB THR A 43 8.053 3.508 1.304 1.00 0.00 C ATOM 681 OG1 THR A 43 8.956 3.435 2.399 1.00 0.00 O ATOM 682 CG2 THR A 43 6.613 3.401 1.830 1.00 0.00 C ATOM 0 H THR A 43 6.963 0.816 0.597 1.00 0.00 H new ATOM 0 HA THR A 43 8.738 2.802 -0.618 1.00 0.00 H new ATOM 0 HB THR A 43 8.173 4.460 0.787 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.523 2.980 3.151 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.421 4.213 2.531 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.915 3.469 0.996 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.481 2.445 2.337 1.00 0.00 H new ATOM 690 N LYS A 44 10.604 1.948 1.111 1.00 0.00 N ATOM 691 CA LYS A 44 11.693 1.144 1.656 1.00 0.00 C ATOM 692 C LYS A 44 11.542 0.977 3.165 1.00 0.00 C ATOM 693 O LYS A 44 12.503 0.652 3.861 1.00 0.00 O ATOM 694 CB LYS A 44 13.035 1.811 1.349 1.00 0.00 C ATOM 695 CG LYS A 44 13.315 1.731 -0.155 1.00 0.00 C ATOM 696 CD LYS A 44 14.427 2.718 -0.527 1.00 0.00 C ATOM 697 CE LYS A 44 15.655 2.474 0.355 1.00 0.00 C ATOM 698 NZ LYS A 44 15.432 3.085 1.697 1.00 0.00 N ATOM 0 H LYS A 44 10.844 2.923 0.930 1.00 0.00 H new ATOM 0 HA LYS A 44 11.657 0.159 1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.018 2.852 1.671 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.833 1.319 1.905 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.610 0.717 -0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.409 1.961 -0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.693 2.601 -1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.075 3.742 -0.400 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.837 1.404 0.456 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.542 2.905 -0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.302 3.561 2.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.660 3.779 1.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.179 2.342 2.379 1.00 0.00 H new ATOM 712 N LEU A 45 10.331 1.198 3.666 1.00 0.00 N ATOM 713 CA LEU A 45 10.076 1.063 5.096 1.00 0.00 C ATOM 714 C LEU A 45 10.293 -0.391 5.527 1.00 0.00 C ATOM 715 O LEU A 45 11.389 -0.764 5.946 1.00 0.00 O ATOM 716 CB LEU A 45 8.626 1.523 5.418 1.00 0.00 C ATOM 717 CG LEU A 45 8.597 2.919 6.086 1.00 0.00 C ATOM 718 CD1 LEU A 45 9.399 2.916 7.407 1.00 0.00 C ATOM 719 CD2 LEU A 45 9.153 3.987 5.123 1.00 0.00 C ATOM 0 H LEU A 45 9.519 1.468 3.111 1.00 0.00 H new ATOM 0 HA LEU A 45 10.770 1.695 5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.041 1.548 4.499 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.152 0.795 6.077 1.00 0.00 H new ATOM 0 HG LEU A 45 7.560 3.163 6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.363 3.908 7.857 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.965 2.190 8.095 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.435 2.647 7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.126 4.963 5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.182 3.740 4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.545 4.014 4.219 1.00 0.00 H new ATOM 731 N ALA A 46 9.245 -1.202 5.421 1.00 0.00 N ATOM 732 CA ALA A 46 9.333 -2.608 5.802 1.00 0.00 C ATOM 733 C ALA A 46 7.994 -3.306 5.576 1.00 0.00 C ATOM 734 O ALA A 46 7.825 -4.474 5.929 1.00 0.00 O ATOM 735 CB ALA A 46 9.732 -2.726 7.277 1.00 0.00 C ATOM 0 H ALA A 46 8.330 -0.912 5.076 1.00 0.00 H new ATOM 0 HA ALA A 46 10.091 -3.088 5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.796 -3.778 7.554 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.701 -2.251 7.431 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.984 -2.232 7.897 1.00 0.00 H new ATOM 741 N LYS A 47 7.046 -2.585 4.986 1.00 0.00 N ATOM 742 CA LYS A 47 5.726 -3.146 4.720 1.00 0.00 C ATOM 743 C LYS A 47 4.975 -2.288 3.702 1.00 0.00 C ATOM 744 O LYS A 47 5.486 -1.269 3.237 1.00 0.00 O ATOM 745 CB LYS A 47 4.925 -3.237 6.029 1.00 0.00 C ATOM 746 CG LYS A 47 5.261 -2.043 6.927 1.00 0.00 C ATOM 747 CD LYS A 47 5.011 -0.736 6.169 1.00 0.00 C ATOM 748 CE LYS A 47 4.957 0.429 7.160 1.00 0.00 C ATOM 749 NZ LYS A 47 3.863 0.192 8.144 1.00 0.00 N ATOM 0 H LYS A 47 7.165 -1.618 4.685 1.00 0.00 H new ATOM 0 HA LYS A 47 5.847 -4.147 4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.857 -3.251 5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.158 -4.169 6.545 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.651 -2.073 7.830 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.303 -2.097 7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.803 -0.570 5.439 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.075 -0.799 5.614 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.912 0.525 7.677 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.786 1.365 6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.516 1.104 8.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.084 -0.317 7.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.225 -0.377 8.936 1.00 0.00 H new ATOM 763 N ASP A 48 3.758 -2.709 3.359 1.00 0.00 N ATOM 764 CA ASP A 48 2.935 -1.978 2.394 1.00 0.00 C ATOM 765 C ASP A 48 1.928 -1.084 3.113 1.00 0.00 C ATOM 766 O ASP A 48 1.488 -1.392 4.221 1.00 0.00 O ATOM 767 CB ASP A 48 2.188 -2.967 1.495 1.00 0.00 C ATOM 768 CG ASP A 48 3.128 -4.084 1.056 1.00 0.00 C ATOM 769 OD1 ASP A 48 4.142 -3.775 0.453 1.00 0.00 O ATOM 770 OD2 ASP A 48 2.820 -5.233 1.330 1.00 0.00 O ATOM 0 H ASP A 48 3.320 -3.551 3.734 1.00 0.00 H new ATOM 0 HA ASP A 48 3.589 -1.352 1.787 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.336 -3.386 2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.792 -2.449 0.621 1.00 0.00 H new ATOM 775 N ILE A 49 1.567 0.027 2.470 1.00 0.00 N ATOM 776 CA ILE A 49 0.607 0.977 3.040 1.00 0.00 C ATOM 777 C ILE A 49 -0.573 1.161 2.090 1.00 0.00 C ATOM 778 O ILE A 49 -0.383 1.356 0.894 1.00 0.00 O ATOM 779 CB ILE A 49 1.295 2.328 3.277 1.00 0.00 C ATOM 780 CG1 ILE A 49 2.556 2.134 4.163 1.00 0.00 C ATOM 781 CG2 ILE A 49 0.310 3.277 3.970 1.00 0.00 C ATOM 782 CD1 ILE A 49 3.805 1.977 3.287 1.00 0.00 C ATOM 0 H ILE A 49 1.925 0.293 1.553 1.00 0.00 H new ATOM 0 HA ILE A 49 0.241 0.586 3.989 1.00 0.00 H new ATOM 0 HB ILE A 49 1.602 2.753 2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.676 2.989 4.829 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.433 1.254 4.794 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.792 4.239 4.142 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.566 3.418 3.337 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.003 2.849 4.924 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.680 1.842 3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.689 1.108 2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.935 2.870 2.675 1.00 0.00 H new ATOM 794 N CYS A 50 -1.793 1.089 2.628 1.00 0.00 N ATOM 795 CA CYS A 50 -3.004 1.236 1.811 1.00 0.00 C ATOM 796 C CYS A 50 -3.583 2.639 1.940 1.00 0.00 C ATOM 797 O CYS A 50 -3.296 3.356 2.897 1.00 0.00 O ATOM 798 CB CYS A 50 -4.055 0.223 2.267 1.00 0.00 C ATOM 799 SG CYS A 50 -3.441 -1.456 1.978 1.00 0.00 S ATOM 0 H CYS A 50 -1.970 0.931 3.620 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.735 1.060 0.769 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.276 0.364 3.325 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.987 0.380 1.723 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.274 -2.316 2.484 1.00 0.00 H new ATOM 804 N ALA A 51 -4.404 3.026 0.964 1.00 0.00 N ATOM 805 CA ALA A 51 -5.020 4.348 0.979 1.00 0.00 C ATOM 806 C ALA A 51 -6.084 4.467 -0.117 1.00 0.00 C ATOM 807 O ALA A 51 -5.925 3.929 -1.212 1.00 0.00 O ATOM 808 CB ALA A 51 -3.937 5.425 0.793 1.00 0.00 C ATOM 0 H ALA A 51 -4.655 2.448 0.162 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.511 4.494 1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.400 6.412 0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.211 5.355 1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.432 5.272 -0.161 1.00 0.00 H new ATOM 814 N ASP A 52 -7.168 5.177 0.196 1.00 0.00 N ATOM 815 CA ASP A 52 -8.267 5.370 -0.754 1.00 0.00 C ATOM 816 C ASP A 52 -8.101 6.700 -1.509 1.00 0.00 C ATOM 817 O ASP A 52 -7.712 7.701 -0.906 1.00 0.00 O ATOM 818 CB ASP A 52 -9.590 5.390 0.019 1.00 0.00 C ATOM 819 CG ASP A 52 -10.748 5.729 -0.913 1.00 0.00 C ATOM 820 OD1 ASP A 52 -10.719 6.798 -1.498 1.00 0.00 O ATOM 821 OD2 ASP A 52 -11.648 4.913 -1.028 1.00 0.00 O ATOM 0 H ASP A 52 -7.310 5.629 1.100 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.261 4.555 -1.477 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.761 4.419 0.483 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.537 6.123 0.824 1.00 0.00 H new ATOM 826 N PRO A 53 -8.391 6.751 -2.798 1.00 0.00 N ATOM 827 CA PRO A 53 -8.263 8.015 -3.589 1.00 0.00 C ATOM 828 C PRO A 53 -9.283 9.063 -3.155 1.00 0.00 C ATOM 829 O PRO A 53 -10.230 9.364 -3.881 1.00 0.00 O ATOM 830 CB PRO A 53 -8.492 7.565 -5.042 1.00 0.00 C ATOM 831 CG PRO A 53 -9.318 6.329 -4.930 1.00 0.00 C ATOM 832 CD PRO A 53 -8.860 5.636 -3.646 1.00 0.00 C ATOM 0 HA PRO A 53 -7.296 8.497 -3.448 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.006 8.334 -5.618 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.548 7.366 -5.548 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.380 6.571 -4.886 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.174 5.683 -5.796 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.675 5.088 -3.173 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.064 4.918 -3.840 1.00 0.00 H new ATOM 840 N LYS A 54 -9.071 9.619 -1.965 1.00 0.00 N ATOM 841 CA LYS A 54 -9.966 10.642 -1.428 1.00 0.00 C ATOM 842 C LYS A 54 -9.171 11.627 -0.578 1.00 0.00 C ATOM 843 O LYS A 54 -9.382 12.838 -0.651 1.00 0.00 O ATOM 844 CB LYS A 54 -11.071 9.978 -0.583 1.00 0.00 C ATOM 845 CG LYS A 54 -12.337 10.882 -0.507 1.00 0.00 C ATOM 846 CD LYS A 54 -13.475 10.293 -1.358 1.00 0.00 C ATOM 847 CE LYS A 54 -13.085 10.303 -2.840 1.00 0.00 C ATOM 848 NZ LYS A 54 -14.311 10.162 -3.674 1.00 0.00 N ATOM 0 H LYS A 54 -8.289 9.380 -1.355 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.431 11.183 -2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.335 9.013 -1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.698 9.784 0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.662 10.976 0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.095 11.885 -0.857 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.689 9.273 -1.037 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.387 10.872 -1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.569 11.231 -3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.392 9.488 -3.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.049 10.169 -4.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.785 9.265 -3.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.956 10.954 -3.479 1.00 0.00 H new ATOM 862 N LYS A 55 -8.249 11.099 0.223 1.00 0.00 N ATOM 863 CA LYS A 55 -7.420 11.946 1.074 1.00 0.00 C ATOM 864 C LYS A 55 -6.423 12.710 0.195 1.00 0.00 C ATOM 865 O LYS A 55 -5.911 12.177 -0.787 1.00 0.00 O ATOM 866 CB LYS A 55 -6.696 11.095 2.154 1.00 0.00 C ATOM 867 CG LYS A 55 -7.241 9.653 2.140 1.00 0.00 C ATOM 868 CD LYS A 55 -6.710 8.864 3.353 1.00 0.00 C ATOM 869 CE LYS A 55 -7.599 9.104 4.580 1.00 0.00 C ATOM 870 NZ LYS A 55 -9.008 8.736 4.258 1.00 0.00 N ATOM 0 H LYS A 55 -8.059 10.100 0.300 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.046 12.666 1.601 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.623 11.089 1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.844 11.539 3.138 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.331 9.670 2.158 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.945 9.155 1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.683 7.800 3.119 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.687 9.168 3.573 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.241 8.511 5.422 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.546 10.150 4.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.482 8.392 5.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.511 9.571 3.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.015 7.988 3.536 1.00 0.00 H new ATOM 884 N LYS A 56 -6.191 13.970 0.532 1.00 0.00 N ATOM 885 CA LYS A 56 -5.298 14.824 -0.251 1.00 0.00 C ATOM 886 C LYS A 56 -3.965 14.155 -0.600 1.00 0.00 C ATOM 887 O LYS A 56 -3.602 14.075 -1.774 1.00 0.00 O ATOM 888 CB LYS A 56 -5.028 16.121 0.514 1.00 0.00 C ATOM 889 CG LYS A 56 -4.440 17.169 -0.436 1.00 0.00 C ATOM 890 CD LYS A 56 -3.817 18.308 0.377 1.00 0.00 C ATOM 891 CE LYS A 56 -4.907 19.028 1.173 1.00 0.00 C ATOM 892 NZ LYS A 56 -4.385 20.339 1.654 1.00 0.00 N ATOM 0 H LYS A 56 -6.607 14.428 1.343 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.807 15.026 -1.193 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.953 16.494 0.954 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.337 15.933 1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.686 16.711 -1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.220 17.560 -1.090 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.060 17.913 1.054 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.315 19.010 -0.288 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.787 19.182 0.549 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.219 18.416 2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.125 20.830 2.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.557 20.181 2.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.108 20.922 0.839 1.00 0.00 H new ATOM 906 N TRP A 57 -3.216 13.715 0.407 1.00 0.00 N ATOM 907 CA TRP A 57 -1.910 13.107 0.147 1.00 0.00 C ATOM 908 C TRP A 57 -2.008 11.924 -0.812 1.00 0.00 C ATOM 909 O TRP A 57 -1.107 11.705 -1.621 1.00 0.00 O ATOM 910 CB TRP A 57 -1.239 12.673 1.455 1.00 0.00 C ATOM 911 CG TRP A 57 -1.906 11.455 2.010 1.00 0.00 C ATOM 912 CD1 TRP A 57 -3.017 11.465 2.777 1.00 0.00 C ATOM 913 CD2 TRP A 57 -1.515 10.056 1.870 1.00 0.00 C ATOM 914 NE1 TRP A 57 -3.335 10.164 3.122 1.00 0.00 N ATOM 915 CE2 TRP A 57 -2.440 9.260 2.584 1.00 0.00 C ATOM 916 CE3 TRP A 57 -0.459 9.404 1.200 1.00 0.00 C ATOM 917 CZ2 TRP A 57 -2.324 7.872 2.636 1.00 0.00 C ATOM 918 CZ3 TRP A 57 -0.341 8.006 1.249 1.00 0.00 C ATOM 919 CH2 TRP A 57 -1.271 7.242 1.967 1.00 0.00 C ATOM 0 H TRP A 57 -3.481 13.765 1.391 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.295 13.870 -0.330 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.183 12.467 1.278 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -1.288 13.484 2.182 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.568 12.346 3.073 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.132 9.904 3.702 1.00 0.00 H new ATOM 0 HE3 TRP A 57 0.264 9.984 0.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.043 7.287 3.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 0.471 7.517 0.731 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -1.174 6.167 2.003 1.00 0.00 H new ATOM 930 N VAL A 58 -3.093 11.163 -0.732 1.00 0.00 N ATOM 931 CA VAL A 58 -3.252 10.019 -1.621 1.00 0.00 C ATOM 932 C VAL A 58 -3.249 10.477 -3.073 1.00 0.00 C ATOM 933 O VAL A 58 -2.478 9.974 -3.883 1.00 0.00 O ATOM 934 CB VAL A 58 -4.559 9.274 -1.316 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.799 8.179 -2.365 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.470 8.630 0.069 1.00 0.00 C ATOM 0 H VAL A 58 -3.860 11.312 -0.076 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.415 9.340 -1.457 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.385 9.985 -1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.729 7.657 -2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.868 8.632 -3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.971 7.470 -2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.398 8.101 0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.638 7.926 0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.310 9.403 0.820 1.00 0.00 H new ATOM 946 N GLN A 59 -4.121 11.424 -3.398 1.00 0.00 N ATOM 947 CA GLN A 59 -4.209 11.923 -4.766 1.00 0.00 C ATOM 948 C GLN A 59 -2.938 12.681 -5.155 1.00 0.00 C ATOM 949 O GLN A 59 -2.520 12.656 -6.313 1.00 0.00 O ATOM 950 CB GLN A 59 -5.440 12.841 -4.916 1.00 0.00 C ATOM 951 CG GLN A 59 -6.553 12.398 -3.949 1.00 0.00 C ATOM 952 CD GLN A 59 -7.920 12.834 -4.475 1.00 0.00 C ATOM 953 OE1 GLN A 59 -8.293 13.999 -4.342 1.00 0.00 O ATOM 954 NE2 GLN A 59 -8.690 11.962 -5.065 1.00 0.00 N ATOM 0 H GLN A 59 -4.770 11.858 -2.742 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.315 11.069 -5.435 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.160 13.874 -4.711 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.805 12.808 -5.942 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.531 11.315 -3.830 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.381 12.830 -2.963 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.378 10.997 -5.174 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.604 12.245 -5.418 1.00 0.00 H new ATOM 963 N ASP A 60 -2.338 13.360 -4.183 1.00 0.00 N ATOM 964 CA ASP A 60 -1.125 14.132 -4.440 1.00 0.00 C ATOM 965 C ASP A 60 0.104 13.230 -4.545 1.00 0.00 C ATOM 966 O ASP A 60 1.087 13.587 -5.194 1.00 0.00 O ATOM 967 CB ASP A 60 -0.912 15.149 -3.316 1.00 0.00 C ATOM 968 CG ASP A 60 0.129 16.181 -3.738 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.149 16.932 -4.659 1.00 0.00 O ATOM 970 OD2 ASP A 60 1.188 16.205 -3.134 1.00 0.00 O ATOM 0 H ASP A 60 -2.667 13.393 -3.218 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.253 14.646 -5.392 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.853 15.645 -3.080 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.584 14.639 -2.410 1.00 0.00 H new ATOM 975 N SER A 61 0.055 12.073 -3.894 1.00 0.00 N ATOM 976 CA SER A 61 1.188 11.151 -3.918 1.00 0.00 C ATOM 977 C SER A 61 1.383 10.541 -5.307 1.00 0.00 C ATOM 978 O SER A 61 2.486 10.572 -5.853 1.00 0.00 O ATOM 979 CB SER A 61 0.978 10.034 -2.893 1.00 0.00 C ATOM 980 OG SER A 61 -0.339 9.521 -3.022 1.00 0.00 O ATOM 0 H SER A 61 -0.746 11.753 -3.349 1.00 0.00 H new ATOM 0 HA SER A 61 2.084 11.718 -3.665 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.707 9.239 -3.050 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.135 10.416 -1.884 1.00 0.00 H new ATOM 0 HG SER A 61 -0.324 8.548 -2.906 1.00 0.00 H new ATOM 986 N MET A 62 0.316 9.983 -5.875 1.00 0.00 N ATOM 987 CA MET A 62 0.410 9.372 -7.198 1.00 0.00 C ATOM 988 C MET A 62 0.597 10.442 -8.270 1.00 0.00 C ATOM 989 O MET A 62 1.286 10.220 -9.266 1.00 0.00 O ATOM 990 CB MET A 62 -0.845 8.547 -7.499 1.00 0.00 C ATOM 991 CG MET A 62 -2.090 9.368 -7.174 1.00 0.00 C ATOM 992 SD MET A 62 -3.552 8.556 -7.868 1.00 0.00 S ATOM 993 CE MET A 62 -4.017 7.610 -6.396 1.00 0.00 C ATOM 0 H MET A 62 -0.609 9.941 -5.448 1.00 0.00 H new ATOM 0 HA MET A 62 1.276 8.711 -7.206 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.855 8.253 -8.548 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.839 7.630 -6.911 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.198 9.472 -6.094 1.00 0.00 H new ATOM 0 HG3 MET A 62 -1.992 10.374 -7.583 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.024 7.212 -6.522 1.00 0.00 H new ATOM 0 HE2 MET A 62 -3.316 6.787 -6.256 1.00 0.00 H new ATOM 0 HE3 MET A 62 -3.992 8.261 -5.522 1.00 0.00 H new ATOM 1003 N LYS A 63 -0.010 11.604 -8.056 1.00 0.00 N ATOM 1004 CA LYS A 63 0.110 12.701 -9.009 1.00 0.00 C ATOM 1005 C LYS A 63 1.570 13.122 -9.116 1.00 0.00 C ATOM 1006 O LYS A 63 2.083 13.367 -10.209 1.00 0.00 O ATOM 1007 CB LYS A 63 -0.749 13.886 -8.549 1.00 0.00 C ATOM 1008 CG LYS A 63 -0.502 15.112 -9.441 1.00 0.00 C ATOM 1009 CD LYS A 63 -0.702 14.741 -10.918 1.00 0.00 C ATOM 1010 CE LYS A 63 -0.951 16.007 -11.741 1.00 0.00 C ATOM 1011 NZ LYS A 63 -2.246 16.620 -11.331 1.00 0.00 N ATOM 0 H LYS A 63 -0.585 11.810 -7.239 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.240 12.373 -9.987 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.804 13.612 -8.582 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.516 14.131 -7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.185 15.916 -9.165 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.510 15.486 -9.286 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.178 14.219 -11.294 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.545 14.058 -11.020 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.137 16.717 -11.592 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.971 15.765 -12.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.666 17.118 -12.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.896 15.875 -11.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.081 17.295 -10.558 1.00 0.00 H new ATOM 1025 N TYR A 64 2.234 13.187 -7.969 1.00 0.00 N ATOM 1026 CA TYR A 64 3.639 13.562 -7.924 1.00 0.00 C ATOM 1027 C TYR A 64 4.468 12.520 -8.682 1.00 0.00 C ATOM 1028 O TYR A 64 5.475 12.849 -9.309 1.00 0.00 O ATOM 1029 CB TYR A 64 4.073 13.689 -6.437 1.00 0.00 C ATOM 1030 CG TYR A 64 5.430 13.054 -6.183 1.00 0.00 C ATOM 1031 CD1 TYR A 64 6.546 13.470 -6.919 1.00 0.00 C ATOM 1032 CD2 TYR A 64 5.568 12.056 -5.208 1.00 0.00 C ATOM 1033 CE1 TYR A 64 7.797 12.889 -6.682 1.00 0.00 C ATOM 1034 CE2 TYR A 64 6.818 11.476 -4.971 1.00 0.00 C ATOM 1035 CZ TYR A 64 7.933 11.891 -5.708 1.00 0.00 C ATOM 1036 OH TYR A 64 9.167 11.320 -5.475 1.00 0.00 O ATOM 0 H TYR A 64 1.821 12.985 -7.058 1.00 0.00 H new ATOM 0 HA TYR A 64 3.802 14.525 -8.409 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.108 14.742 -6.158 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.326 13.215 -5.800 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.441 14.239 -7.670 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.708 11.735 -4.639 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.658 13.210 -7.250 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.923 10.708 -4.219 1.00 0.00 H new ATOM 0 HH TYR A 64 9.087 10.646 -4.768 1.00 0.00 H new ATOM 1046 N LEU A 65 4.029 11.267 -8.622 1.00 0.00 N ATOM 1047 CA LEU A 65 4.728 10.188 -9.309 1.00 0.00 C ATOM 1048 C LEU A 65 4.472 10.264 -10.810 1.00 0.00 C ATOM 1049 O LEU A 65 5.218 9.699 -11.610 1.00 0.00 O ATOM 1050 CB LEU A 65 4.259 8.827 -8.761 1.00 0.00 C ATOM 1051 CG LEU A 65 4.991 8.507 -7.437 1.00 0.00 C ATOM 1052 CD1 LEU A 65 4.120 7.590 -6.561 1.00 0.00 C ATOM 1053 CD2 LEU A 65 6.335 7.813 -7.739 1.00 0.00 C ATOM 0 H LEU A 65 3.198 10.975 -8.108 1.00 0.00 H new ATOM 0 HA LEU A 65 5.798 10.293 -9.132 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.182 8.845 -8.595 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.456 8.044 -9.493 1.00 0.00 H new ATOM 0 HG LEU A 65 5.178 9.438 -6.902 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.644 7.370 -5.631 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.177 8.089 -6.337 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.921 6.660 -7.094 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.847 7.589 -6.803 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.152 6.886 -8.283 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.957 8.472 -8.345 1.00 0.00 H new ATOM 1065 N ASP A 66 3.409 10.964 -11.184 1.00 0.00 N ATOM 1066 CA ASP A 66 3.053 11.109 -12.587 1.00 0.00 C ATOM 1067 C ASP A 66 4.090 11.953 -13.324 1.00 0.00 C ATOM 1068 O ASP A 66 4.501 11.617 -14.436 1.00 0.00 O ATOM 1069 CB ASP A 66 1.675 11.765 -12.697 1.00 0.00 C ATOM 1070 CG ASP A 66 1.068 11.497 -14.071 1.00 0.00 C ATOM 1071 OD1 ASP A 66 0.722 10.357 -14.332 1.00 0.00 O ATOM 1072 OD2 ASP A 66 0.957 12.436 -14.842 1.00 0.00 O ATOM 0 H ASP A 66 2.780 11.439 -10.536 1.00 0.00 H new ATOM 0 HA ASP A 66 3.027 10.121 -13.046 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.017 11.377 -11.919 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.762 12.839 -12.534 1.00 0.00 H new ATOM 1077 N GLN A 67 4.510 13.048 -12.699 1.00 0.00 N ATOM 1078 CA GLN A 67 5.499 13.930 -13.308 1.00 0.00 C ATOM 1079 C GLN A 67 6.743 13.143 -13.707 1.00 0.00 C ATOM 1080 O GLN A 67 7.178 13.193 -14.857 1.00 0.00 O ATOM 1081 CB GLN A 67 5.886 15.038 -12.326 1.00 0.00 C ATOM 1082 CG GLN A 67 4.624 15.744 -11.829 1.00 0.00 C ATOM 1083 CD GLN A 67 4.995 16.838 -10.834 1.00 0.00 C ATOM 1084 OE1 GLN A 67 5.190 17.990 -11.222 1.00 0.00 O ATOM 1085 NE2 GLN A 67 5.107 16.546 -9.567 1.00 0.00 N ATOM 0 H GLN A 67 4.184 13.344 -11.779 1.00 0.00 H new ATOM 0 HA GLN A 67 5.062 14.375 -14.202 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.435 14.617 -11.484 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.548 15.754 -12.812 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.083 16.175 -12.671 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.956 15.023 -11.357 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.945 15.591 -9.247 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.356 17.273 -8.896 1.00 0.00 H new ATOM 1094 N LYS A 68 7.309 12.417 -12.749 1.00 0.00 N ATOM 1095 CA LYS A 68 8.505 11.621 -13.013 1.00 0.00 C ATOM 1096 C LYS A 68 8.140 10.326 -13.731 1.00 0.00 C ATOM 1097 O LYS A 68 6.967 10.065 -14.004 1.00 0.00 O ATOM 1098 CB LYS A 68 9.227 11.299 -11.700 1.00 0.00 C ATOM 1099 CG LYS A 68 8.272 10.578 -10.743 1.00 0.00 C ATOM 1100 CD LYS A 68 8.851 10.595 -9.323 1.00 0.00 C ATOM 1101 CE LYS A 68 10.134 9.758 -9.270 1.00 0.00 C ATOM 1102 NZ LYS A 68 11.268 10.551 -9.821 1.00 0.00 N ATOM 0 H LYS A 68 6.964 12.362 -11.791 1.00 0.00 H new ATOM 0 HA LYS A 68 9.168 12.202 -13.653 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.098 10.674 -11.898 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.591 12.218 -11.240 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.296 11.063 -10.754 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.120 9.550 -11.072 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.063 11.620 -9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.120 10.199 -8.618 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.347 9.465 -8.242 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.006 8.840 -9.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.505 10.204 -10.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.996 11.553 -9.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.096 10.451 -9.200 1.00 0.00 H new ATOM 1116 N SER A 69 9.155 9.518 -14.040 1.00 0.00 N ATOM 1117 CA SER A 69 8.949 8.243 -14.735 1.00 0.00 C ATOM 1118 C SER A 69 9.412 7.076 -13.859 1.00 0.00 C ATOM 1119 O SER A 69 10.546 6.614 -13.987 1.00 0.00 O ATOM 1120 CB SER A 69 9.747 8.237 -16.039 1.00 0.00 C ATOM 1121 OG SER A 69 9.209 9.213 -16.922 1.00 0.00 O ATOM 0 H SER A 69 10.130 9.723 -13.820 1.00 0.00 H new ATOM 0 HA SER A 69 7.886 8.129 -14.948 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.797 8.451 -15.838 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.705 7.250 -16.500 1.00 0.00 H new ATOM 0 HG SER A 69 9.719 9.214 -17.759 1.00 0.00 H new ATOM 1127 N PRO A 70 8.570 6.597 -12.978 1.00 0.00 N ATOM 1128 CA PRO A 70 8.920 5.464 -12.068 1.00 0.00 C ATOM 1129 C PRO A 70 9.454 4.255 -12.836 1.00 0.00 C ATOM 1130 O PRO A 70 8.706 3.567 -13.529 1.00 0.00 O ATOM 1131 CB PRO A 70 7.594 5.140 -11.359 1.00 0.00 C ATOM 1132 CG PRO A 70 6.801 6.406 -11.429 1.00 0.00 C ATOM 1133 CD PRO A 70 7.195 7.075 -12.746 1.00 0.00 C ATOM 0 HA PRO A 70 9.718 5.724 -11.373 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.073 4.319 -11.852 1.00 0.00 H new ATOM 0 HB3 PRO A 70 7.762 4.836 -10.326 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.731 6.199 -11.401 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.023 7.053 -10.580 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.528 6.786 -13.558 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.155 8.162 -12.672 1.00 0.00 H new ATOM 1368 N ASP B 218 7.580 10.664 12.796 1.00 0.00 N ATOM 1369 CA ASP B 218 8.295 11.642 13.608 1.00 0.00 C ATOM 1370 C ASP B 218 9.757 11.235 13.756 1.00 0.00 C ATOM 1371 O ASP B 218 10.651 11.892 13.221 1.00 0.00 O ATOM 1372 CB ASP B 218 7.648 11.747 14.991 1.00 0.00 C ATOM 1373 CG ASP B 218 8.327 12.847 15.800 1.00 0.00 C ATOM 1374 OD1 ASP B 218 8.326 13.979 15.343 1.00 0.00 O ATOM 1375 OD2 ASP B 218 8.837 12.543 16.865 1.00 0.00 O ATOM 0 HA ASP B 218 8.244 12.612 13.113 1.00 0.00 H new ATOM 0 HB2 ASP B 218 6.584 11.963 14.889 1.00 0.00 H new ATOM 0 HB3 ASP B 218 7.731 10.794 15.514 1.00 0.00 H new ATOM 1380 N ASP B 219 9.991 10.144 14.479 1.00 0.00 N ATOM 1381 CA ASP B 219 11.348 9.648 14.685 1.00 0.00 C ATOM 1382 C ASP B 219 11.771 8.766 13.517 1.00 0.00 C ATOM 1383 O ASP B 219 11.338 7.620 13.402 1.00 0.00 O ATOM 1384 CB ASP B 219 11.419 8.842 15.982 1.00 0.00 C ATOM 1385 CG ASP B 219 10.700 9.588 17.101 1.00 0.00 C ATOM 1386 OD1 ASP B 219 11.102 10.701 17.397 1.00 0.00 O ATOM 1387 OD2 ASP B 219 9.759 9.035 17.645 1.00 0.00 O ATOM 0 H ASP B 219 9.263 9.589 14.930 1.00 0.00 H new ATOM 0 HA ASP B 219 12.023 10.502 14.751 1.00 0.00 H new ATOM 0 HB2 ASP B 219 10.964 7.862 15.836 1.00 0.00 H new ATOM 0 HB3 ASP B 219 12.460 8.672 16.258 1.00 0.00 H new ATOM 1392 N VAL B 220 12.615 9.309 12.648 1.00 0.00 N ATOM 1393 CA VAL B 220 13.086 8.564 11.487 1.00 0.00 C ATOM 1394 C VAL B 220 13.931 7.370 11.919 1.00 0.00 C ATOM 1395 O VAL B 220 14.102 6.413 11.165 1.00 0.00 O ATOM 1396 CB VAL B 220 13.911 9.485 10.585 1.00 0.00 C ATOM 1397 CG1 VAL B 220 14.037 8.867 9.190 1.00 0.00 C ATOM 1398 CG2 VAL B 220 13.212 10.843 10.480 1.00 0.00 C ATOM 0 H VAL B 220 12.985 10.256 12.724 1.00 0.00 H new ATOM 0 HA VAL B 220 12.221 8.193 10.936 1.00 0.00 H new ATOM 0 HB VAL B 220 14.906 9.614 11.010 1.00 0.00 H new ATOM 0 HG11 VAL B 220 14.625 9.526 8.552 1.00 0.00 H new ATOM 0 HG12 VAL B 220 14.531 7.898 9.264 1.00 0.00 H new ATOM 0 HG13 VAL B 220 13.044 8.736 8.759 1.00 0.00 H new ATOM 0 HG21 VAL B 220 13.795 11.504 9.839 1.00 0.00 H new ATOM 0 HG22 VAL B 220 12.218 10.708 10.054 1.00 0.00 H new ATOM 0 HG23 VAL B 220 13.125 11.285 11.473 1.00 0.00 H new ATOM 1408 N GLY B 221 14.455 7.432 13.139 1.00 0.00 N ATOM 1409 CA GLY B 221 15.277 6.347 13.660 1.00 0.00 C ATOM 1410 C GLY B 221 14.435 5.098 13.897 1.00 0.00 C ATOM 1411 O GLY B 221 14.940 4.073 14.355 1.00 0.00 O ATOM 0 H GLY B 221 14.326 8.215 13.780 1.00 0.00 H new ATOM 0 HA2 GLY B 221 16.079 6.123 12.957 1.00 0.00 H new ATOM 0 HA3 GLY B 221 15.748 6.657 14.593 1.00 0.00 H new ATOM 1415 N LEU B 222 13.148 5.193 13.579 1.00 0.00 N ATOM 1416 CA LEU B 222 12.239 4.066 13.760 1.00 0.00 C ATOM 1417 C LEU B 222 12.749 2.844 13.001 1.00 0.00 C ATOM 1418 O LEU B 222 12.824 1.747 13.554 1.00 0.00 O ATOM 1419 CB LEU B 222 10.842 4.444 13.254 1.00 0.00 C ATOM 1420 CG LEU B 222 9.810 3.379 13.681 1.00 0.00 C ATOM 1421 CD1 LEU B 222 9.333 3.639 15.117 1.00 0.00 C ATOM 1422 CD2 LEU B 222 8.600 3.434 12.741 1.00 0.00 C ATOM 0 H LEU B 222 12.713 6.033 13.197 1.00 0.00 H new ATOM 0 HA LEU B 222 12.188 3.823 14.821 1.00 0.00 H new ATOM 0 HB2 LEU B 222 10.555 5.418 13.651 1.00 0.00 H new ATOM 0 HB3 LEU B 222 10.853 4.534 12.168 1.00 0.00 H new ATOM 0 HG LEU B 222 10.282 2.398 13.631 1.00 0.00 H new ATOM 0 HD11 LEU B 222 8.606 2.879 15.402 1.00 0.00 H new ATOM 0 HD12 LEU B 222 10.185 3.599 15.796 1.00 0.00 H new ATOM 0 HD13 LEU B 222 8.870 4.624 15.174 1.00 0.00 H new ATOM 0 HD21 LEU B 222 7.871 2.682 13.042 1.00 0.00 H new ATOM 0 HD22 LEU B 222 8.144 4.423 12.792 1.00 0.00 H new ATOM 0 HD23 LEU B 222 8.924 3.237 11.719 1.00 0.00 H new ATOM 1434 N LEU B 223 13.097 3.042 11.734 1.00 0.00 N ATOM 1435 CA LEU B 223 13.600 1.948 10.909 1.00 0.00 C ATOM 1436 C LEU B 223 14.664 1.159 11.671 1.00 0.00 C ATOM 1437 O LEU B 223 14.400 0.016 12.005 1.00 0.00 O ATOM 1438 CB LEU B 223 14.190 2.515 9.605 1.00 0.00 C ATOM 1439 CG LEU B 223 14.156 1.463 8.478 1.00 0.00 C ATOM 1440 CD1 LEU B 223 14.862 0.182 8.937 1.00 0.00 C ATOM 1441 CD2 LEU B 223 12.699 1.143 8.072 1.00 0.00 C ATOM 1442 OXT LEU B 223 15.726 1.711 11.907 1.00 0.00 O ATOM 0 H LEU B 223 13.041 3.942 11.258 1.00 0.00 H new ATOM 0 HA LEU B 223 12.778 1.275 10.666 1.00 0.00 H new ATOM 0 HB2 LEU B 223 13.627 3.397 9.301 1.00 0.00 H new ATOM 0 HB3 LEU B 223 15.217 2.836 9.776 1.00 0.00 H new ATOM 0 HG LEU B 223 14.676 1.870 7.611 1.00 0.00 H new ATOM 0 HD11 LEU B 223 14.834 -0.556 8.136 1.00 0.00 H new ATOM 0 HD12 LEU B 223 15.899 0.407 9.186 1.00 0.00 H new ATOM 0 HD13 LEU B 223 14.356 -0.217 9.816 1.00 0.00 H new ATOM 0 HD21 LEU B 223 12.698 0.399 7.276 1.00 0.00 H new ATOM 0 HD22 LEU B 223 12.158 0.752 8.934 1.00 0.00 H new ATOM 0 HD23 LEU B 223 12.212 2.052 7.719 1.00 0.00 H new