USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 605 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.721 K(o=-0.72,f=-5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 169:sc= 1.17 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -167:sc= 1.32 (180deg=0.955) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0974 K(o=-0.097,f=-2!) USER MOD Single : A 49 LYS NZ :NH3+ -151:sc= 1.26 (180deg=0.918) USER MOD Single : A 50 SER OG : rot -101:sc= 0.00151 USER MOD Single : A 57 THR OG1 : rot 165:sc= 0.308 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -163:sc= -0.488 (180deg=-1.08) USER MOD Single : A 72 ASN : amide:sc= 0.357 K(o=0.36,f=-1.9!) USER MOD Single : A 74 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00765) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN :FLIP amide:sc=-0.00881 F(o=-1.5!,f=-0.0088) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0977 USER MOD ----------------------------------------------------------------- ATOM 133 N GLY A 10 -1.819 10.103 1.144 1.00 0.00 N ATOM 134 CA GLY A 10 -1.503 9.074 0.167 1.00 0.00 C ATOM 135 C GLY A 10 -1.390 7.681 0.768 1.00 0.00 C ATOM 136 O GLY A 10 -0.614 6.854 0.293 1.00 0.00 O ATOM 0 HA2 GLY A 10 -2.274 9.067 -0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.563 9.327 -0.324 1.00 0.00 H new ATOM 140 N LYS A 11 -2.168 7.413 1.814 1.00 0.00 N ATOM 141 CA LYS A 11 -2.261 6.091 2.402 1.00 0.00 C ATOM 142 C LYS A 11 -2.995 5.164 1.445 1.00 0.00 C ATOM 143 O LYS A 11 -3.971 5.573 0.809 1.00 0.00 O ATOM 144 CB LYS A 11 -3.001 6.174 3.737 1.00 0.00 C ATOM 145 CG LYS A 11 -2.238 7.075 4.716 1.00 0.00 C ATOM 146 CD LYS A 11 -2.665 6.839 6.160 1.00 0.00 C ATOM 147 CE LYS A 11 -4.114 7.234 6.443 1.00 0.00 C ATOM 148 NZ LYS A 11 -4.413 7.080 7.873 1.00 0.00 N ATOM 0 H LYS A 11 -2.751 8.112 2.274 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.261 5.696 2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.006 6.566 3.579 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.111 5.176 4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.168 6.891 4.620 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.407 8.120 4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.531 5.785 6.402 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.008 7.404 6.821 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.283 8.267 6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.789 6.613 5.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.401 7.352 8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.270 6.089 8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.780 7.691 8.428 1.00 0.00 H new ATOM 162 N LEU A 12 -2.568 3.905 1.427 1.00 0.00 N ATOM 163 CA LEU A 12 -3.203 2.814 0.697 1.00 0.00 C ATOM 164 C LEU A 12 -3.623 1.716 1.687 1.00 0.00 C ATOM 165 O LEU A 12 -3.525 1.908 2.899 1.00 0.00 O ATOM 166 CB LEU A 12 -2.208 2.296 -0.367 1.00 0.00 C ATOM 167 CG LEU A 12 -2.639 2.424 -1.830 1.00 0.00 C ATOM 168 CD1 LEU A 12 -4.047 1.901 -2.081 1.00 0.00 C ATOM 169 CD2 LEU A 12 -2.582 3.850 -2.366 1.00 0.00 C ATOM 0 H LEU A 12 -1.739 3.606 1.940 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.105 3.151 0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.266 2.831 -0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.007 1.244 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.909 1.811 -2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.296 2.018 -3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.097 0.846 -1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.757 2.464 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.902 3.860 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.243 4.487 -1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.561 4.224 -2.296 1.00 0.00 H new ATOM 181 N PHE A 13 -4.041 0.552 1.199 1.00 0.00 N ATOM 182 CA PHE A 13 -4.001 -0.736 1.881 1.00 0.00 C ATOM 183 C PHE A 13 -3.702 -1.773 0.798 1.00 0.00 C ATOM 184 O PHE A 13 -4.273 -1.663 -0.289 1.00 0.00 O ATOM 185 CB PHE A 13 -5.368 -1.023 2.521 1.00 0.00 C ATOM 186 CG PHE A 13 -5.405 -2.241 3.426 1.00 0.00 C ATOM 187 CD1 PHE A 13 -5.376 -3.545 2.889 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.502 -2.073 4.820 1.00 0.00 C ATOM 189 CE1 PHE A 13 -5.390 -4.664 3.738 1.00 0.00 C ATOM 190 CE2 PHE A 13 -5.562 -3.193 5.665 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.489 -4.488 5.128 1.00 0.00 C ATOM 0 H PHE A 13 -4.440 0.479 0.263 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.250 -0.755 2.671 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.674 -0.150 3.098 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.104 -1.155 1.728 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.343 -3.684 1.818 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.530 -1.079 5.241 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.325 -5.659 3.322 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.665 -3.058 6.732 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.509 -5.347 5.782 1.00 0.00 H new ATOM 201 N ILE A 14 -2.879 -2.794 1.069 1.00 0.00 N ATOM 202 CA ILE A 14 -2.664 -3.894 0.134 1.00 0.00 C ATOM 203 C ILE A 14 -2.836 -5.224 0.880 1.00 0.00 C ATOM 204 O ILE A 14 -2.361 -5.382 2.006 1.00 0.00 O ATOM 205 CB ILE A 14 -1.300 -3.775 -0.592 1.00 0.00 C ATOM 206 CG1 ILE A 14 -1.011 -2.382 -1.202 1.00 0.00 C ATOM 207 CG2 ILE A 14 -1.285 -4.760 -1.775 1.00 0.00 C ATOM 208 CD1 ILE A 14 -0.381 -1.363 -0.255 1.00 0.00 C ATOM 0 H ILE A 14 -2.349 -2.876 1.937 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.411 -3.850 -0.658 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.548 -3.977 0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.350 -2.511 -2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.947 -1.970 -1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.331 -4.688 -2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.420 -5.776 -1.404 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.094 -4.514 -2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.222 -0.424 -0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.046 -1.194 0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.575 -1.743 0.105 1.00 0.00 H new ATOM 220 N GLY A 15 -3.510 -6.193 0.258 1.00 0.00 N ATOM 221 CA GLY A 15 -3.700 -7.554 0.750 1.00 0.00 C ATOM 222 C GLY A 15 -3.578 -8.559 -0.393 1.00 0.00 C ATOM 223 O GLY A 15 -3.702 -8.177 -1.549 1.00 0.00 O ATOM 0 H GLY A 15 -3.959 -6.040 -0.645 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.959 -7.776 1.518 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.680 -7.644 1.218 1.00 0.00 H new ATOM 227 N GLY A 16 -3.296 -9.828 -0.101 1.00 0.00 N ATOM 228 CA GLY A 16 -3.377 -10.938 -1.060 1.00 0.00 C ATOM 229 C GLY A 16 -2.051 -11.229 -1.762 1.00 0.00 C ATOM 230 O GLY A 16 -2.021 -11.811 -2.844 1.00 0.00 O ATOM 0 H GLY A 16 -2.998 -10.124 0.829 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.709 -11.836 -0.539 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.134 -10.707 -1.810 1.00 0.00 H new ATOM 234 N LEU A 17 -0.946 -10.747 -1.196 1.00 0.00 N ATOM 235 CA LEU A 17 0.362 -10.769 -1.789 1.00 0.00 C ATOM 236 C LEU A 17 0.976 -12.174 -1.762 1.00 0.00 C ATOM 237 O LEU A 17 0.534 -13.053 -1.014 1.00 0.00 O ATOM 238 CB LEU A 17 1.222 -9.802 -0.972 1.00 0.00 C ATOM 239 CG LEU A 17 0.921 -8.292 -1.003 1.00 0.00 C ATOM 240 CD1 LEU A 17 0.694 -7.750 -2.418 1.00 0.00 C ATOM 241 CD2 LEU A 17 -0.236 -7.893 -0.102 1.00 0.00 C ATOM 0 H LEU A 17 -0.953 -10.315 -0.272 1.00 0.00 H new ATOM 0 HA LEU A 17 0.306 -10.476 -2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.170 -10.122 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.255 -9.934 -1.295 1.00 0.00 H new ATOM 0 HG LEU A 17 1.826 -7.830 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.487 -6.681 -2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.587 -7.920 -3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.153 -8.263 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.396 -6.817 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.140 -8.415 -0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.004 -8.161 0.929 1.00 0.00 H new ATOM 253 N ASN A 18 2.049 -12.354 -2.537 1.00 0.00 N ATOM 254 CA ASN A 18 2.900 -13.541 -2.510 1.00 0.00 C ATOM 255 C ASN A 18 3.766 -13.608 -1.253 1.00 0.00 C ATOM 256 O ASN A 18 3.908 -12.619 -0.533 1.00 0.00 O ATOM 257 CB ASN A 18 3.823 -13.568 -3.738 1.00 0.00 C ATOM 258 CG ASN A 18 4.265 -14.986 -4.089 1.00 0.00 C ATOM 259 OD1 ASN A 18 3.703 -15.962 -3.599 1.00 0.00 O ATOM 260 ND2 ASN A 18 5.287 -15.134 -4.904 1.00 0.00 N ATOM 0 H ASN A 18 2.356 -11.659 -3.217 1.00 0.00 H new ATOM 0 HA ASN A 18 2.230 -14.401 -2.516 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.305 -13.128 -4.590 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.701 -12.952 -3.545 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.623 -16.069 -5.137 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.744 -14.314 -5.303 1.00 0.00 H new ATOM 267 N THR A 19 4.397 -14.751 -1.013 1.00 0.00 N ATOM 268 CA THR A 19 4.949 -15.101 0.286 1.00 0.00 C ATOM 269 C THR A 19 6.465 -14.874 0.426 1.00 0.00 C ATOM 270 O THR A 19 6.970 -15.039 1.538 1.00 0.00 O ATOM 271 CB THR A 19 4.486 -16.534 0.641 1.00 0.00 C ATOM 272 OG1 THR A 19 4.177 -17.342 -0.491 1.00 0.00 O ATOM 273 CG2 THR A 19 3.209 -16.474 1.482 1.00 0.00 C ATOM 0 H THR A 19 4.540 -15.468 -1.724 1.00 0.00 H new ATOM 0 HA THR A 19 4.553 -14.406 1.026 1.00 0.00 H new ATOM 0 HB THR A 19 5.327 -16.980 1.172 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.894 -18.231 -0.191 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.888 -17.486 1.729 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.404 -15.921 2.401 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.424 -15.972 0.916 1.00 0.00 H new ATOM 281 N GLU A 20 7.185 -14.440 -0.619 1.00 0.00 N ATOM 282 CA GLU A 20 8.626 -14.143 -0.549 1.00 0.00 C ATOM 283 C GLU A 20 8.980 -12.786 -1.184 1.00 0.00 C ATOM 284 O GLU A 20 10.133 -12.558 -1.561 1.00 0.00 O ATOM 285 CB GLU A 20 9.458 -15.300 -1.155 1.00 0.00 C ATOM 286 CG GLU A 20 10.908 -15.338 -0.609 1.00 0.00 C ATOM 287 CD GLU A 20 11.999 -15.466 -1.687 1.00 0.00 C ATOM 288 OE1 GLU A 20 12.114 -16.546 -2.306 1.00 0.00 O ATOM 289 OE2 GLU A 20 12.809 -14.523 -1.880 1.00 0.00 O ATOM 0 H GLU A 20 6.782 -14.284 -1.543 1.00 0.00 H new ATOM 0 HA GLU A 20 8.888 -14.060 0.506 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.967 -16.249 -0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.484 -15.195 -2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.089 -14.430 -0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.999 -16.176 0.082 1.00 0.00 H new ATOM 296 N THR A 21 8.019 -11.874 -1.375 1.00 0.00 N ATOM 297 CA THR A 21 8.348 -10.576 -1.954 1.00 0.00 C ATOM 298 C THR A 21 8.918 -9.681 -0.832 1.00 0.00 C ATOM 299 O THR A 21 8.770 -10.003 0.353 1.00 0.00 O ATOM 300 CB THR A 21 7.108 -10.027 -2.674 1.00 0.00 C ATOM 301 OG1 THR A 21 7.522 -9.166 -3.701 1.00 0.00 O ATOM 302 CG2 THR A 21 6.178 -9.240 -1.752 1.00 0.00 C ATOM 0 H THR A 21 7.035 -12.009 -1.143 1.00 0.00 H new ATOM 0 HA THR A 21 9.123 -10.631 -2.718 1.00 0.00 H new ATOM 0 HB THR A 21 6.557 -10.887 -3.053 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.736 -8.812 -4.168 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.321 -8.879 -2.321 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.832 -9.887 -0.946 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.717 -8.392 -1.330 1.00 0.00 H new ATOM 310 N ASN A 22 9.550 -8.555 -1.187 1.00 0.00 N ATOM 311 CA ASN A 22 10.239 -7.674 -0.239 1.00 0.00 C ATOM 312 C ASN A 22 9.887 -6.208 -0.522 1.00 0.00 C ATOM 313 O ASN A 22 9.221 -5.917 -1.513 1.00 0.00 O ATOM 314 CB ASN A 22 11.760 -7.869 -0.318 1.00 0.00 C ATOM 315 CG ASN A 22 12.234 -9.194 0.222 1.00 0.00 C ATOM 316 OD1 ASN A 22 12.602 -9.315 1.388 1.00 0.00 O ATOM 317 ND2 ASN A 22 12.308 -10.202 -0.614 1.00 0.00 N ATOM 0 H ASN A 22 9.597 -8.228 -2.152 1.00 0.00 H new ATOM 0 HA ASN A 22 9.907 -7.933 0.766 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.075 -7.778 -1.358 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.249 -7.067 0.235 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.675 -11.100 -0.299 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.999 -10.088 -1.579 1.00 0.00 H new ATOM 324 N GLU A 23 10.344 -5.264 0.306 1.00 0.00 N ATOM 325 CA GLU A 23 10.000 -3.836 0.163 1.00 0.00 C ATOM 326 C GLU A 23 10.533 -3.294 -1.157 1.00 0.00 C ATOM 327 O GLU A 23 9.781 -2.702 -1.926 1.00 0.00 O ATOM 328 CB GLU A 23 10.505 -3.000 1.352 1.00 0.00 C ATOM 329 CG GLU A 23 9.677 -3.358 2.589 1.00 0.00 C ATOM 330 CD GLU A 23 10.289 -2.955 3.928 1.00 0.00 C ATOM 331 OE1 GLU A 23 11.270 -2.180 3.987 1.00 0.00 O ATOM 332 OE2 GLU A 23 9.881 -3.569 4.937 1.00 0.00 O ATOM 0 H GLU A 23 10.961 -5.462 1.094 1.00 0.00 H new ATOM 0 HA GLU A 23 8.913 -3.754 0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.561 -3.200 1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.415 -1.936 1.132 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.699 -2.885 2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.511 -4.435 2.595 1.00 0.00 H new ATOM 339 N LYS A 24 11.785 -3.610 -1.489 1.00 0.00 N ATOM 340 CA LYS A 24 12.396 -3.296 -2.782 1.00 0.00 C ATOM 341 C LYS A 24 11.549 -3.789 -3.949 1.00 0.00 C ATOM 342 O LYS A 24 11.585 -3.197 -5.027 1.00 0.00 O ATOM 343 CB LYS A 24 13.828 -3.863 -2.854 1.00 0.00 C ATOM 344 CG LYS A 24 13.892 -5.402 -2.759 1.00 0.00 C ATOM 345 CD LYS A 24 13.914 -6.133 -4.107 1.00 0.00 C ATOM 346 CE LYS A 24 15.307 -6.583 -4.564 1.00 0.00 C ATOM 347 NZ LYS A 24 16.114 -5.487 -5.137 1.00 0.00 N ATOM 0 H LYS A 24 12.415 -4.101 -0.855 1.00 0.00 H new ATOM 0 HA LYS A 24 12.449 -2.211 -2.867 1.00 0.00 H new ATOM 0 HB2 LYS A 24 14.288 -3.546 -3.790 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.420 -3.433 -2.046 1.00 0.00 H new ATOM 0 HG2 LYS A 24 14.784 -5.680 -2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.033 -5.752 -2.187 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.267 -7.008 -4.042 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.490 -5.478 -4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.840 -7.012 -3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.201 -7.374 -5.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 17.043 -5.854 -5.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 15.625 -5.092 -5.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.244 -4.742 -4.423 1.00 0.00 H new ATOM 361 N ALA A 25 10.821 -4.890 -3.769 1.00 0.00 N ATOM 362 CA ALA A 25 9.983 -5.439 -4.806 1.00 0.00 C ATOM 363 C ALA A 25 8.721 -4.581 -4.919 1.00 0.00 C ATOM 364 O ALA A 25 8.375 -4.190 -6.033 1.00 0.00 O ATOM 365 CB ALA A 25 9.713 -6.910 -4.490 1.00 0.00 C ATOM 0 H ALA A 25 10.803 -5.418 -2.897 1.00 0.00 H new ATOM 0 HA ALA A 25 10.465 -5.415 -5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.080 -7.339 -5.267 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.657 -7.453 -4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.209 -6.989 -3.527 1.00 0.00 H new ATOM 371 N LEU A 26 8.085 -4.223 -3.797 1.00 0.00 N ATOM 372 CA LEU A 26 6.906 -3.356 -3.763 1.00 0.00 C ATOM 373 C LEU A 26 7.198 -1.969 -4.332 1.00 0.00 C ATOM 374 O LEU A 26 6.329 -1.396 -4.991 1.00 0.00 O ATOM 375 CB LEU A 26 6.369 -3.214 -2.327 1.00 0.00 C ATOM 376 CG LEU A 26 5.580 -4.428 -1.807 1.00 0.00 C ATOM 377 CD1 LEU A 26 5.167 -4.164 -0.357 1.00 0.00 C ATOM 378 CD2 LEU A 26 4.288 -4.690 -2.595 1.00 0.00 C ATOM 0 H LEU A 26 8.382 -4.534 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 26 6.151 -3.832 -4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.209 -3.031 -1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.727 -2.335 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 26 6.234 -5.293 -1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.607 -5.018 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.058 -4.014 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.542 -3.272 -0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.778 -5.559 -2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.636 -3.819 -2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.531 -4.878 -3.641 1.00 0.00 H new ATOM 390 N GLU A 27 8.409 -1.444 -4.133 1.00 0.00 N ATOM 391 CA GLU A 27 8.832 -0.176 -4.720 1.00 0.00 C ATOM 392 C GLU A 27 8.670 -0.218 -6.243 1.00 0.00 C ATOM 393 O GLU A 27 8.280 0.772 -6.854 1.00 0.00 O ATOM 394 CB GLU A 27 10.308 0.101 -4.403 1.00 0.00 C ATOM 395 CG GLU A 27 10.650 0.444 -2.946 1.00 0.00 C ATOM 396 CD GLU A 27 12.157 0.343 -2.665 1.00 0.00 C ATOM 397 OE1 GLU A 27 12.967 0.202 -3.619 1.00 0.00 O ATOM 398 OE2 GLU A 27 12.555 0.355 -1.480 1.00 0.00 O ATOM 0 H GLU A 27 9.124 -1.890 -3.558 1.00 0.00 H new ATOM 0 HA GLU A 27 8.209 0.611 -4.296 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.888 -0.776 -4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.642 0.925 -5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.307 1.454 -2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.112 -0.230 -2.280 1.00 0.00 H new ATOM 405 N ALA A 28 8.970 -1.363 -6.862 1.00 0.00 N ATOM 406 CA ALA A 28 8.886 -1.547 -8.302 1.00 0.00 C ATOM 407 C ALA A 28 7.469 -1.927 -8.754 1.00 0.00 C ATOM 408 O ALA A 28 7.145 -1.745 -9.928 1.00 0.00 O ATOM 409 CB ALA A 28 9.903 -2.610 -8.722 1.00 0.00 C ATOM 0 H ALA A 28 9.282 -2.197 -6.364 1.00 0.00 H new ATOM 0 HA ALA A 28 9.119 -0.601 -8.791 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.850 -2.758 -9.801 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.906 -2.282 -8.449 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.678 -3.549 -8.216 1.00 0.00 H new ATOM 415 N VAL A 29 6.607 -2.416 -7.855 1.00 0.00 N ATOM 416 CA VAL A 29 5.194 -2.657 -8.150 1.00 0.00 C ATOM 417 C VAL A 29 4.477 -1.322 -8.365 1.00 0.00 C ATOM 418 O VAL A 29 3.637 -1.222 -9.262 1.00 0.00 O ATOM 419 CB VAL A 29 4.537 -3.484 -7.020 1.00 0.00 C ATOM 420 CG1 VAL A 29 3.020 -3.644 -7.175 1.00 0.00 C ATOM 421 CG2 VAL A 29 5.117 -4.898 -6.977 1.00 0.00 C ATOM 0 H VAL A 29 6.873 -2.656 -6.900 1.00 0.00 H new ATOM 0 HA VAL A 29 5.110 -3.239 -9.068 1.00 0.00 H new ATOM 0 HB VAL A 29 4.747 -2.923 -6.109 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.630 -4.235 -6.346 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.548 -2.661 -7.174 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.802 -4.150 -8.116 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.641 -5.462 -6.175 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.934 -5.396 -7.929 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.191 -4.846 -6.796 1.00 0.00 H new ATOM 431 N PHE A 30 4.776 -0.313 -7.539 1.00 0.00 N ATOM 432 CA PHE A 30 3.970 0.899 -7.471 1.00 0.00 C ATOM 433 C PHE A 30 4.753 2.174 -7.838 1.00 0.00 C ATOM 434 O PHE A 30 4.139 3.233 -7.961 1.00 0.00 O ATOM 435 CB PHE A 30 3.317 1.012 -6.083 1.00 0.00 C ATOM 436 CG PHE A 30 2.287 -0.026 -5.676 1.00 0.00 C ATOM 437 CD1 PHE A 30 0.940 0.110 -6.070 1.00 0.00 C ATOM 438 CD2 PHE A 30 2.649 -1.058 -4.788 1.00 0.00 C ATOM 439 CE1 PHE A 30 -0.025 -0.804 -5.608 1.00 0.00 C ATOM 440 CE2 PHE A 30 1.675 -1.951 -4.306 1.00 0.00 C ATOM 441 CZ PHE A 30 0.337 -1.823 -4.713 1.00 0.00 C ATOM 0 H PHE A 30 5.577 -0.318 -6.907 1.00 0.00 H new ATOM 0 HA PHE A 30 3.190 0.814 -8.227 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.114 0.995 -5.340 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.842 1.991 -6.020 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.649 0.916 -6.727 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.678 -1.164 -4.476 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.048 -0.721 -5.943 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.957 -2.737 -3.621 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.411 -2.506 -4.339 1.00 0.00 H new ATOM 451 N GLY A 31 6.076 2.128 -8.036 1.00 0.00 N ATOM 452 CA GLY A 31 6.863 3.325 -8.349 1.00 0.00 C ATOM 453 C GLY A 31 6.462 3.943 -9.690 1.00 0.00 C ATOM 454 O GLY A 31 6.620 5.140 -9.916 1.00 0.00 O ATOM 0 H GLY A 31 6.625 1.270 -7.984 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.732 4.062 -7.557 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.922 3.067 -8.372 1.00 0.00 H new ATOM 458 N LYS A 32 5.884 3.144 -10.584 1.00 0.00 N ATOM 459 CA LYS A 32 5.265 3.513 -11.856 1.00 0.00 C ATOM 460 C LYS A 32 4.043 4.432 -11.737 1.00 0.00 C ATOM 461 O LYS A 32 3.456 4.748 -12.774 1.00 0.00 O ATOM 462 CB LYS A 32 4.923 2.218 -12.607 1.00 0.00 C ATOM 463 CG LYS A 32 3.953 1.301 -11.837 1.00 0.00 C ATOM 464 CD LYS A 32 3.887 -0.088 -12.474 1.00 0.00 C ATOM 465 CE LYS A 32 3.194 -0.049 -13.838 1.00 0.00 C ATOM 466 NZ LYS A 32 3.331 -1.324 -14.562 1.00 0.00 N ATOM 0 H LYS A 32 5.832 2.138 -10.424 1.00 0.00 H new ATOM 0 HA LYS A 32 5.986 4.114 -12.411 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.483 2.472 -13.571 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.844 1.671 -12.811 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.276 1.214 -10.800 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.958 1.747 -11.825 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.896 -0.485 -12.589 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.351 -0.768 -11.812 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.137 0.179 -13.701 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.619 0.756 -14.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.848 -1.255 -15.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.339 -1.530 -14.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.903 -2.089 -14.002 1.00 0.00 H new ATOM 480 N TYR A 33 3.652 4.842 -10.528 1.00 0.00 N ATOM 481 CA TYR A 33 2.578 5.802 -10.309 1.00 0.00 C ATOM 482 C TYR A 33 3.106 7.155 -9.792 1.00 0.00 C ATOM 483 O TYR A 33 2.369 8.141 -9.889 1.00 0.00 O ATOM 484 CB TYR A 33 1.514 5.198 -9.375 1.00 0.00 C ATOM 485 CG TYR A 33 0.797 3.961 -9.908 1.00 0.00 C ATOM 486 CD1 TYR A 33 1.333 2.683 -9.679 1.00 0.00 C ATOM 487 CD2 TYR A 33 -0.415 4.074 -10.614 1.00 0.00 C ATOM 488 CE1 TYR A 33 0.694 1.528 -10.152 1.00 0.00 C ATOM 489 CE2 TYR A 33 -1.060 2.926 -11.115 1.00 0.00 C ATOM 490 CZ TYR A 33 -0.499 1.645 -10.894 1.00 0.00 C ATOM 491 OH TYR A 33 -1.060 0.519 -11.414 1.00 0.00 O ATOM 0 H TYR A 33 4.081 4.509 -9.665 1.00 0.00 H new ATOM 0 HA TYR A 33 2.107 6.013 -11.269 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.990 4.941 -8.429 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.769 5.964 -9.159 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.256 2.588 -9.127 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.854 5.048 -10.773 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.114 0.554 -9.949 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.983 3.023 -11.668 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.959 0.724 -11.744 1.00 0.00 H new ATOM 501 N GLY A 34 4.353 7.269 -9.302 1.00 0.00 N ATOM 502 CA GLY A 34 4.833 8.504 -8.683 1.00 0.00 C ATOM 503 C GLY A 34 6.042 8.337 -7.751 1.00 0.00 C ATOM 504 O GLY A 34 7.143 8.013 -8.206 1.00 0.00 O ATOM 0 H GLY A 34 5.042 6.517 -9.326 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.096 9.209 -9.471 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.016 8.950 -8.116 1.00 0.00 H new ATOM 508 N ARG A 35 5.870 8.661 -6.464 1.00 0.00 N ATOM 509 CA ARG A 35 6.883 8.740 -5.402 1.00 0.00 C ATOM 510 C ARG A 35 6.348 7.995 -4.186 1.00 0.00 C ATOM 511 O ARG A 35 5.389 8.440 -3.550 1.00 0.00 O ATOM 512 CB ARG A 35 7.196 10.198 -4.987 1.00 0.00 C ATOM 513 CG ARG A 35 8.420 10.827 -5.655 1.00 0.00 C ATOM 514 CD ARG A 35 8.269 10.910 -7.166 1.00 0.00 C ATOM 515 NE ARG A 35 9.251 11.818 -7.763 1.00 0.00 N ATOM 516 CZ ARG A 35 9.388 12.004 -9.077 1.00 0.00 C ATOM 517 NH1 ARG A 35 8.658 11.305 -9.937 1.00 0.00 N ATOM 518 NH2 ARG A 35 10.258 12.887 -9.529 1.00 0.00 N ATOM 0 H ARG A 35 4.943 8.894 -6.108 1.00 0.00 H new ATOM 0 HA ARG A 35 7.806 8.301 -5.781 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.326 10.815 -5.210 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.339 10.227 -3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.578 11.827 -5.252 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.306 10.241 -5.412 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.384 9.916 -7.598 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.263 11.250 -7.412 1.00 0.00 H new ATOM 0 HE ARG A 35 9.866 12.339 -7.138 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.985 10.619 -9.595 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.770 11.454 -10.940 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.825 13.426 -8.874 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.364 13.030 -10.533 1.00 0.00 H new ATOM 532 N ILE A 36 6.990 6.885 -3.839 1.00 0.00 N ATOM 533 CA ILE A 36 6.654 6.113 -2.655 1.00 0.00 C ATOM 534 C ILE A 36 7.621 6.513 -1.559 1.00 0.00 C ATOM 535 O ILE A 36 8.838 6.492 -1.759 1.00 0.00 O ATOM 536 CB ILE A 36 6.755 4.604 -2.938 1.00 0.00 C ATOM 537 CG1 ILE A 36 5.860 4.216 -4.124 1.00 0.00 C ATOM 538 CG2 ILE A 36 6.381 3.794 -1.688 1.00 0.00 C ATOM 539 CD1 ILE A 36 6.052 2.768 -4.555 1.00 0.00 C ATOM 0 H ILE A 36 7.764 6.495 -4.378 1.00 0.00 H new ATOM 0 HA ILE A 36 5.627 6.317 -2.352 1.00 0.00 H new ATOM 0 HB ILE A 36 7.787 4.372 -3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.816 4.375 -3.854 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.075 4.873 -4.967 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.458 2.729 -1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.060 4.047 -0.874 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.358 4.030 -1.394 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.395 2.549 -5.396 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.089 2.612 -4.854 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.810 2.106 -3.724 1.00 0.00 H new ATOM 551 N VAL A 37 7.071 6.810 -0.391 1.00 0.00 N ATOM 552 CA VAL A 37 7.792 7.437 0.700 1.00 0.00 C ATOM 553 C VAL A 37 7.654 6.626 2.001 1.00 0.00 C ATOM 554 O VAL A 37 8.060 7.082 3.074 1.00 0.00 O ATOM 555 CB VAL A 37 7.309 8.899 0.718 1.00 0.00 C ATOM 556 CG1 VAL A 37 5.859 9.069 1.190 1.00 0.00 C ATOM 557 CG2 VAL A 37 8.247 9.829 1.471 1.00 0.00 C ATOM 0 H VAL A 37 6.093 6.617 -0.174 1.00 0.00 H new ATOM 0 HA VAL A 37 8.875 7.449 0.574 1.00 0.00 H new ATOM 0 HB VAL A 37 7.328 9.200 -0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.593 10.126 1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.193 8.518 0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.759 8.684 2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.850 10.844 1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.334 9.498 2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.230 9.813 1.001 1.00 0.00 H new ATOM 567 N GLU A 38 7.061 5.429 1.923 1.00 0.00 N ATOM 568 CA GLU A 38 6.910 4.477 3.015 1.00 0.00 C ATOM 569 C GLU A 38 6.533 3.127 2.387 1.00 0.00 C ATOM 570 O GLU A 38 5.689 3.074 1.488 1.00 0.00 O ATOM 571 CB GLU A 38 5.781 4.962 3.936 1.00 0.00 C ATOM 572 CG GLU A 38 6.004 4.916 5.441 1.00 0.00 C ATOM 573 CD GLU A 38 4.801 5.584 6.125 1.00 0.00 C ATOM 574 OE1 GLU A 38 3.752 4.923 6.293 1.00 0.00 O ATOM 575 OE2 GLU A 38 4.845 6.802 6.414 1.00 0.00 O ATOM 0 H GLU A 38 6.656 5.087 1.052 1.00 0.00 H new ATOM 0 HA GLU A 38 7.826 4.383 3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.552 5.993 3.666 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.894 4.369 3.714 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.109 3.885 5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.927 5.433 5.705 1.00 0.00 H new ATOM 582 N VAL A 39 7.130 2.038 2.866 1.00 0.00 N ATOM 583 CA VAL A 39 6.954 0.667 2.412 1.00 0.00 C ATOM 584 C VAL A 39 6.983 -0.231 3.657 1.00 0.00 C ATOM 585 O VAL A 39 7.986 -0.868 3.982 1.00 0.00 O ATOM 586 CB VAL A 39 8.024 0.275 1.361 1.00 0.00 C ATOM 587 CG1 VAL A 39 7.487 -0.934 0.602 1.00 0.00 C ATOM 588 CG2 VAL A 39 8.316 1.368 0.324 1.00 0.00 C ATOM 0 H VAL A 39 7.796 2.099 3.636 1.00 0.00 H new ATOM 0 HA VAL A 39 5.999 0.547 1.900 1.00 0.00 H new ATOM 0 HB VAL A 39 8.952 0.087 1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.213 -1.243 -0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.315 -1.754 1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.549 -0.670 0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 39 9.075 1.014 -0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.403 1.605 -0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.678 2.263 0.830 1.00 0.00 H new ATOM 598 N LEU A 40 5.887 -0.249 4.408 1.00 0.00 N ATOM 599 CA LEU A 40 5.753 -0.963 5.670 1.00 0.00 C ATOM 600 C LEU A 40 5.267 -2.393 5.385 1.00 0.00 C ATOM 601 O LEU A 40 4.066 -2.679 5.420 1.00 0.00 O ATOM 602 CB LEU A 40 4.822 -0.138 6.586 1.00 0.00 C ATOM 603 CG LEU A 40 5.250 -0.077 8.061 1.00 0.00 C ATOM 604 CD1 LEU A 40 5.329 -1.469 8.687 1.00 0.00 C ATOM 605 CD2 LEU A 40 6.558 0.687 8.259 1.00 0.00 C ATOM 0 H LEU A 40 5.038 0.251 4.144 1.00 0.00 H new ATOM 0 HA LEU A 40 6.701 -1.071 6.197 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.763 0.879 6.198 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.818 -0.558 6.532 1.00 0.00 H new ATOM 0 HG LEU A 40 4.471 0.480 8.581 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.635 -1.382 9.730 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.351 -1.948 8.634 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.058 -2.071 8.144 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.815 0.700 9.318 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.354 0.197 7.699 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.440 1.710 7.902 1.00 0.00 H new ATOM 617 N LEU A 41 6.188 -3.286 5.008 1.00 0.00 N ATOM 618 CA LEU A 41 5.844 -4.628 4.538 1.00 0.00 C ATOM 619 C LEU A 41 5.815 -5.588 5.724 1.00 0.00 C ATOM 620 O LEU A 41 6.836 -5.831 6.371 1.00 0.00 O ATOM 621 CB LEU A 41 6.824 -5.081 3.447 1.00 0.00 C ATOM 622 CG LEU A 41 6.307 -6.205 2.531 1.00 0.00 C ATOM 623 CD1 LEU A 41 7.356 -6.515 1.469 1.00 0.00 C ATOM 624 CD2 LEU A 41 5.962 -7.520 3.224 1.00 0.00 C ATOM 0 H LEU A 41 7.190 -3.097 5.021 1.00 0.00 H new ATOM 0 HA LEU A 41 4.851 -4.620 4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.080 -4.220 2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.745 -5.417 3.924 1.00 0.00 H new ATOM 0 HG LEU A 41 5.376 -5.814 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.992 -7.311 0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.548 -5.621 0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.279 -6.835 1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.609 -8.239 2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.850 -7.914 3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.181 -7.347 3.964 1.00 0.00 H new ATOM 636 N MET A 42 4.640 -6.144 6.002 1.00 0.00 N ATOM 637 CA MET A 42 4.386 -7.083 7.088 1.00 0.00 C ATOM 638 C MET A 42 5.036 -8.445 6.785 1.00 0.00 C ATOM 639 O MET A 42 4.717 -9.070 5.768 1.00 0.00 O ATOM 640 CB MET A 42 2.866 -7.227 7.291 1.00 0.00 C ATOM 641 CG MET A 42 2.075 -5.921 7.134 1.00 0.00 C ATOM 642 SD MET A 42 2.675 -4.466 8.025 1.00 0.00 S ATOM 643 CE MET A 42 2.485 -5.057 9.715 1.00 0.00 C ATOM 0 H MET A 42 3.804 -5.944 5.453 1.00 0.00 H new ATOM 0 HA MET A 42 4.830 -6.703 8.008 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.484 -7.956 6.576 1.00 0.00 H new ATOM 0 HB3 MET A 42 2.682 -7.631 8.287 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.041 -5.675 6.073 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.049 -6.109 7.451 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.810 -4.283 10.410 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.438 -5.296 9.901 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.092 -5.951 9.858 1.00 0.00 H new ATOM 653 N LYS A 43 5.934 -8.926 7.651 1.00 0.00 N ATOM 654 CA LYS A 43 6.716 -10.154 7.434 1.00 0.00 C ATOM 655 C LYS A 43 6.501 -11.137 8.578 1.00 0.00 C ATOM 656 O LYS A 43 6.098 -10.761 9.681 1.00 0.00 O ATOM 657 CB LYS A 43 8.221 -9.849 7.264 1.00 0.00 C ATOM 658 CG LYS A 43 8.536 -8.965 6.045 1.00 0.00 C ATOM 659 CD LYS A 43 9.878 -8.221 6.174 1.00 0.00 C ATOM 660 CE LYS A 43 9.857 -6.942 5.320 1.00 0.00 C ATOM 661 NZ LYS A 43 10.905 -5.979 5.709 1.00 0.00 N ATOM 0 H LYS A 43 6.143 -8.468 8.538 1.00 0.00 H new ATOM 0 HA LYS A 43 6.362 -10.608 6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.587 -9.356 8.164 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.765 -10.789 7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.555 -9.585 5.149 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.735 -8.238 5.913 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.063 -7.968 7.218 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.694 -8.869 5.853 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.986 -7.209 4.271 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.881 -6.466 5.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.714 -5.059 5.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.909 -5.869 6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.832 -6.330 5.395 1.00 0.00 H new ATOM 675 N ASP A 44 6.789 -12.401 8.297 1.00 0.00 N ATOM 676 CA ASP A 44 6.762 -13.533 9.223 1.00 0.00 C ATOM 677 C ASP A 44 7.907 -13.417 10.234 1.00 0.00 C ATOM 678 O ASP A 44 8.689 -12.463 10.206 1.00 0.00 O ATOM 679 CB ASP A 44 6.870 -14.873 8.460 1.00 0.00 C ATOM 680 CG ASP A 44 6.160 -15.995 9.226 1.00 0.00 C ATOM 681 OD1 ASP A 44 4.949 -16.196 9.001 1.00 0.00 O ATOM 682 OD2 ASP A 44 6.803 -16.629 10.094 1.00 0.00 O ATOM 0 H ASP A 44 7.066 -12.684 7.357 1.00 0.00 H new ATOM 0 HA ASP A 44 5.810 -13.513 9.754 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.430 -14.768 7.468 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.919 -15.132 8.317 1.00 0.00 H new ATOM 687 N ARG A 45 8.032 -14.403 11.121 1.00 0.00 N ATOM 688 CA ARG A 45 9.133 -14.579 12.062 1.00 0.00 C ATOM 689 C ARG A 45 9.899 -15.880 11.819 1.00 0.00 C ATOM 690 O ARG A 45 10.882 -16.110 12.518 1.00 0.00 O ATOM 691 CB ARG A 45 8.586 -14.521 13.499 1.00 0.00 C ATOM 692 CG ARG A 45 7.543 -15.618 13.802 1.00 0.00 C ATOM 693 CD ARG A 45 7.890 -16.449 15.038 1.00 0.00 C ATOM 694 NE ARG A 45 7.843 -15.657 16.275 1.00 0.00 N ATOM 695 CZ ARG A 45 7.659 -16.159 17.502 1.00 0.00 C ATOM 696 NH1 ARG A 45 7.614 -17.474 17.694 1.00 0.00 N ATOM 697 NH2 ARG A 45 7.512 -15.325 18.525 1.00 0.00 N ATOM 0 H ARG A 45 7.330 -15.138 11.206 1.00 0.00 H new ATOM 0 HA ARG A 45 9.846 -13.769 11.910 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.416 -14.615 14.200 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.134 -13.544 13.669 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.567 -15.154 13.946 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.458 -16.279 12.939 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.195 -17.285 15.118 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.887 -16.874 14.919 1.00 0.00 H new ATOM 0 HE ARG A 45 7.960 -14.647 16.192 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.720 -18.109 16.903 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.473 -17.848 18.633 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.540 -14.317 18.370 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.371 -15.692 19.466 1.00 0.00 H new ATOM 711 N GLU A 46 9.462 -16.751 10.910 1.00 0.00 N ATOM 712 CA GLU A 46 10.128 -17.998 10.573 1.00 0.00 C ATOM 713 C GLU A 46 11.358 -17.669 9.719 1.00 0.00 C ATOM 714 O GLU A 46 12.487 -17.692 10.214 1.00 0.00 O ATOM 715 CB GLU A 46 9.112 -18.910 9.856 1.00 0.00 C ATOM 716 CG GLU A 46 9.726 -20.228 9.362 1.00 0.00 C ATOM 717 CD GLU A 46 8.753 -21.072 8.538 1.00 0.00 C ATOM 718 OE1 GLU A 46 7.911 -20.509 7.801 1.00 0.00 O ATOM 719 OE2 GLU A 46 8.816 -22.317 8.582 1.00 0.00 O ATOM 0 H GLU A 46 8.608 -16.599 10.374 1.00 0.00 H new ATOM 0 HA GLU A 46 10.479 -18.535 11.454 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.290 -19.132 10.536 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.688 -18.374 9.007 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.607 -20.008 8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.064 -20.809 10.220 1.00 0.00 H new ATOM 726 N THR A 47 11.138 -17.351 8.440 1.00 0.00 N ATOM 727 CA THR A 47 12.167 -17.356 7.401 1.00 0.00 C ATOM 728 C THR A 47 11.926 -16.176 6.458 1.00 0.00 C ATOM 729 O THR A 47 11.972 -16.311 5.237 1.00 0.00 O ATOM 730 CB THR A 47 12.200 -18.755 6.737 1.00 0.00 C ATOM 731 OG1 THR A 47 13.353 -18.982 5.949 1.00 0.00 O ATOM 732 CG2 THR A 47 10.956 -19.142 5.951 1.00 0.00 C ATOM 0 H THR A 47 10.219 -17.077 8.093 1.00 0.00 H new ATOM 0 HA THR A 47 13.170 -17.203 7.800 1.00 0.00 H new ATOM 0 HB THR A 47 12.232 -19.413 7.606 1.00 0.00 H new ATOM 0 HG1 THR A 47 13.312 -19.881 5.561 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.087 -20.139 5.530 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.091 -19.139 6.614 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.797 -18.425 5.145 1.00 0.00 H new ATOM 740 N ASN A 48 11.601 -15.008 7.021 1.00 0.00 N ATOM 741 CA ASN A 48 11.471 -13.744 6.288 1.00 0.00 C ATOM 742 C ASN A 48 10.392 -13.820 5.195 1.00 0.00 C ATOM 743 O ASN A 48 10.381 -13.009 4.271 1.00 0.00 O ATOM 744 CB ASN A 48 12.840 -13.285 5.732 1.00 0.00 C ATOM 745 CG ASN A 48 13.921 -13.041 6.786 1.00 0.00 C ATOM 746 OD1 ASN A 48 13.891 -13.568 7.898 1.00 0.00 O ATOM 747 ND2 ASN A 48 14.906 -12.225 6.469 1.00 0.00 N ATOM 0 H ASN A 48 11.417 -14.913 8.020 1.00 0.00 H new ATOM 0 HA ASN A 48 11.135 -12.984 6.993 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.201 -14.038 5.032 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.694 -12.366 5.164 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.644 -12.030 7.145 1.00 0.00 H new ATOM 0 HD22 ASN A 48 14.930 -11.789 5.547 1.00 0.00 H new ATOM 754 N LYS A 49 9.483 -14.800 5.286 1.00 0.00 N ATOM 755 CA LYS A 49 8.278 -14.865 4.467 1.00 0.00 C ATOM 756 C LYS A 49 7.452 -13.604 4.701 1.00 0.00 C ATOM 757 O LYS A 49 7.600 -12.944 5.729 1.00 0.00 O ATOM 758 CB LYS A 49 7.472 -16.120 4.838 1.00 0.00 C ATOM 759 CG LYS A 49 8.079 -17.396 4.242 1.00 0.00 C ATOM 760 CD LYS A 49 7.667 -18.630 5.052 1.00 0.00 C ATOM 761 CE LYS A 49 8.009 -19.945 4.341 1.00 0.00 C ATOM 762 NZ LYS A 49 7.608 -21.119 5.143 1.00 0.00 N ATOM 0 H LYS A 49 9.570 -15.577 5.941 1.00 0.00 H new ATOM 0 HA LYS A 49 8.543 -14.925 3.411 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.428 -16.213 5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.447 -16.009 4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.753 -17.510 3.208 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.166 -17.313 4.226 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.164 -18.606 6.022 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.594 -18.593 5.243 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.508 -19.977 3.373 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.081 -19.986 4.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.239 -21.918 4.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.674 -20.887 6.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.628 -21.380 4.911 1.00 0.00 H new ATOM 776 N SER A 50 6.553 -13.281 3.787 1.00 0.00 N ATOM 777 CA SER A 50 5.632 -12.166 3.940 1.00 0.00 C ATOM 778 C SER A 50 4.355 -12.629 4.682 1.00 0.00 C ATOM 779 O SER A 50 4.153 -13.834 4.867 1.00 0.00 O ATOM 780 CB SER A 50 5.354 -11.594 2.550 1.00 0.00 C ATOM 781 OG SER A 50 6.421 -11.756 1.614 1.00 0.00 O ATOM 0 H SER A 50 6.440 -13.789 2.910 1.00 0.00 H new ATOM 0 HA SER A 50 6.060 -11.373 4.553 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.460 -12.071 2.148 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.132 -10.531 2.647 1.00 0.00 H new ATOM 0 HG SER A 50 6.912 -10.912 1.529 1.00 0.00 H new ATOM 787 N ARG A 51 3.481 -11.703 5.114 1.00 0.00 N ATOM 788 CA ARG A 51 2.225 -12.026 5.828 1.00 0.00 C ATOM 789 C ARG A 51 1.012 -12.132 4.901 1.00 0.00 C ATOM 790 O ARG A 51 -0.074 -12.498 5.359 1.00 0.00 O ATOM 791 CB ARG A 51 1.959 -11.003 6.951 1.00 0.00 C ATOM 792 CG ARG A 51 2.973 -11.065 8.109 1.00 0.00 C ATOM 793 CD ARG A 51 2.511 -11.937 9.291 1.00 0.00 C ATOM 794 NE ARG A 51 1.895 -11.142 10.371 1.00 0.00 N ATOM 795 CZ ARG A 51 0.870 -11.494 11.162 1.00 0.00 C ATOM 796 NH1 ARG A 51 0.184 -12.616 10.968 1.00 0.00 N ATOM 797 NH2 ARG A 51 0.524 -10.691 12.159 1.00 0.00 N ATOM 0 H ARG A 51 3.624 -10.702 4.979 1.00 0.00 H new ATOM 0 HA ARG A 51 2.367 -13.014 6.266 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.971 -10.000 6.525 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.958 -11.168 7.349 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.919 -11.453 7.731 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.163 -10.054 8.468 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.794 -12.677 8.935 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.364 -12.486 9.689 1.00 0.00 H new ATOM 0 HE ARG A 51 2.295 -10.218 10.535 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.432 -13.239 10.199 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.590 -12.854 11.588 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.035 -9.822 12.314 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.253 -10.943 12.770 1.00 0.00 H new ATOM 811 N GLY A 52 1.154 -11.813 3.619 1.00 0.00 N ATOM 812 CA GLY A 52 0.067 -11.679 2.663 1.00 0.00 C ATOM 813 C GLY A 52 -0.709 -10.369 2.831 1.00 0.00 C ATOM 814 O GLY A 52 -1.809 -10.259 2.288 1.00 0.00 O ATOM 0 H GLY A 52 2.068 -11.634 3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.470 -11.731 1.651 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.618 -12.519 2.777 1.00 0.00 H new ATOM 818 N PHE A 53 -0.190 -9.361 3.542 1.00 0.00 N ATOM 819 CA PHE A 53 -0.716 -7.995 3.530 1.00 0.00 C ATOM 820 C PHE A 53 0.443 -7.003 3.652 1.00 0.00 C ATOM 821 O PHE A 53 1.541 -7.366 4.080 1.00 0.00 O ATOM 822 CB PHE A 53 -1.822 -7.797 4.578 1.00 0.00 C ATOM 823 CG PHE A 53 -1.424 -7.691 6.042 1.00 0.00 C ATOM 824 CD1 PHE A 53 -0.971 -8.823 6.748 1.00 0.00 C ATOM 825 CD2 PHE A 53 -1.635 -6.480 6.736 1.00 0.00 C ATOM 826 CE1 PHE A 53 -0.710 -8.740 8.129 1.00 0.00 C ATOM 827 CE2 PHE A 53 -1.394 -6.401 8.118 1.00 0.00 C ATOM 828 CZ PHE A 53 -0.926 -7.529 8.812 1.00 0.00 C ATOM 0 H PHE A 53 0.620 -9.476 4.151 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.207 -7.802 2.576 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.368 -6.891 4.316 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.521 -8.628 4.484 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.823 -9.758 6.228 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.984 -5.609 6.201 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.345 -9.605 8.663 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.568 -5.475 8.646 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.731 -7.467 9.873 1.00 0.00 H new ATOM 838 N ALA A 54 0.238 -5.759 3.230 1.00 0.00 N ATOM 839 CA ALA A 54 1.243 -4.703 3.231 1.00 0.00 C ATOM 840 C ALA A 54 0.580 -3.370 3.531 1.00 0.00 C ATOM 841 O ALA A 54 -0.644 -3.229 3.413 1.00 0.00 O ATOM 842 CB ALA A 54 1.950 -4.621 1.866 1.00 0.00 C ATOM 0 H ALA A 54 -0.663 -5.449 2.866 1.00 0.00 H new ATOM 0 HA ALA A 54 1.983 -4.932 3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.696 -3.826 1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.439 -5.571 1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.216 -4.407 1.089 1.00 0.00 H new ATOM 848 N PHE A 55 1.409 -2.376 3.827 1.00 0.00 N ATOM 849 CA PHE A 55 1.005 -0.993 3.808 1.00 0.00 C ATOM 850 C PHE A 55 2.116 -0.209 3.102 1.00 0.00 C ATOM 851 O PHE A 55 3.281 -0.313 3.479 1.00 0.00 O ATOM 852 CB PHE A 55 0.720 -0.548 5.247 1.00 0.00 C ATOM 853 CG PHE A 55 0.277 0.889 5.369 1.00 0.00 C ATOM 854 CD1 PHE A 55 -1.069 1.243 5.150 1.00 0.00 C ATOM 855 CD2 PHE A 55 1.218 1.879 5.693 1.00 0.00 C ATOM 856 CE1 PHE A 55 -1.456 2.595 5.179 1.00 0.00 C ATOM 857 CE2 PHE A 55 0.811 3.222 5.763 1.00 0.00 C ATOM 858 CZ PHE A 55 -0.510 3.589 5.472 1.00 0.00 C ATOM 0 H PHE A 55 2.385 -2.518 4.087 1.00 0.00 H new ATOM 0 HA PHE A 55 0.082 -0.815 3.255 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.051 -1.192 5.670 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.619 -0.692 5.846 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.804 0.475 4.960 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.246 1.611 5.887 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.481 2.868 4.976 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.525 3.981 6.045 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.798 4.630 5.473 1.00 0.00 H new ATOM 868 N VAL A 56 1.781 0.484 2.023 1.00 0.00 N ATOM 869 CA VAL A 56 2.629 1.386 1.254 1.00 0.00 C ATOM 870 C VAL A 56 1.971 2.771 1.329 1.00 0.00 C ATOM 871 O VAL A 56 0.739 2.875 1.440 1.00 0.00 O ATOM 872 CB VAL A 56 2.742 0.860 -0.198 1.00 0.00 C ATOM 873 CG1 VAL A 56 3.646 1.719 -1.089 1.00 0.00 C ATOM 874 CG2 VAL A 56 3.314 -0.570 -0.259 1.00 0.00 C ATOM 0 H VAL A 56 0.840 0.427 1.633 1.00 0.00 H new ATOM 0 HA VAL A 56 3.645 1.447 1.645 1.00 0.00 H new ATOM 0 HB VAL A 56 1.716 0.892 -0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.680 1.293 -2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.250 2.733 -1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.652 1.743 -0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.374 -0.894 -1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.310 -0.582 0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.663 -1.246 0.295 1.00 0.00 H new ATOM 884 N THR A 57 2.769 3.827 1.235 1.00 0.00 N ATOM 885 CA THR A 57 2.315 5.194 1.404 1.00 0.00 C ATOM 886 C THR A 57 3.011 6.051 0.364 1.00 0.00 C ATOM 887 O THR A 57 4.213 5.898 0.109 1.00 0.00 O ATOM 888 CB THR A 57 2.683 5.683 2.803 1.00 0.00 C ATOM 889 OG1 THR A 57 2.444 4.677 3.767 1.00 0.00 O ATOM 890 CG2 THR A 57 1.865 6.900 3.228 1.00 0.00 C ATOM 0 H THR A 57 3.767 3.752 1.036 1.00 0.00 H new ATOM 0 HA THR A 57 1.234 5.255 1.282 1.00 0.00 H new ATOM 0 HB THR A 57 3.740 5.945 2.754 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.898 4.911 4.603 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.165 7.208 4.230 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.040 7.718 2.529 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.806 6.644 3.229 1.00 0.00 H new ATOM 898 N PHE A 58 2.253 6.964 -0.230 1.00 0.00 N ATOM 899 CA PHE A 58 2.679 7.678 -1.407 1.00 0.00 C ATOM 900 C PHE A 58 2.733 9.158 -1.079 1.00 0.00 C ATOM 901 O PHE A 58 1.823 9.701 -0.446 1.00 0.00 O ATOM 902 CB PHE A 58 1.727 7.381 -2.567 1.00 0.00 C ATOM 903 CG PHE A 58 1.616 5.912 -2.960 1.00 0.00 C ATOM 904 CD1 PHE A 58 0.954 4.960 -2.157 1.00 0.00 C ATOM 905 CD2 PHE A 58 2.185 5.488 -4.167 1.00 0.00 C ATOM 906 CE1 PHE A 58 0.892 3.610 -2.551 1.00 0.00 C ATOM 907 CE2 PHE A 58 2.074 4.161 -4.593 1.00 0.00 C ATOM 908 CZ PHE A 58 1.442 3.209 -3.778 1.00 0.00 C ATOM 0 H PHE A 58 1.323 7.225 0.099 1.00 0.00 H new ATOM 0 HA PHE A 58 3.673 7.356 -1.717 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.734 7.745 -2.303 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.054 7.949 -3.438 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.491 5.269 -1.232 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.719 6.199 -4.780 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.420 2.882 -1.908 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.476 3.868 -5.552 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.380 2.178 -4.092 1.00 0.00 H new ATOM 918 N GLU A 59 3.827 9.804 -1.471 1.00 0.00 N ATOM 919 CA GLU A 59 4.124 11.153 -1.045 1.00 0.00 C ATOM 920 C GLU A 59 3.083 12.149 -1.544 1.00 0.00 C ATOM 921 O GLU A 59 2.637 13.002 -0.771 1.00 0.00 O ATOM 922 CB GLU A 59 5.518 11.535 -1.539 1.00 0.00 C ATOM 923 CG GLU A 59 6.059 12.642 -0.611 1.00 0.00 C ATOM 924 CD GLU A 59 6.983 13.692 -1.231 1.00 0.00 C ATOM 925 OE1 GLU A 59 7.228 13.690 -2.455 1.00 0.00 O ATOM 926 OE2 GLU A 59 7.358 14.605 -0.451 1.00 0.00 O ATOM 0 H GLU A 59 4.528 9.401 -2.093 1.00 0.00 H new ATOM 0 HA GLU A 59 4.096 11.187 0.044 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.179 10.668 -1.526 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.475 11.887 -2.570 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.206 13.161 -0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.596 12.163 0.208 1.00 0.00 H new ATOM 933 N SER A 60 2.654 12.035 -2.803 1.00 0.00 N ATOM 934 CA SER A 60 1.558 12.864 -3.276 1.00 0.00 C ATOM 935 C SER A 60 0.252 12.123 -2.963 1.00 0.00 C ATOM 936 O SER A 60 0.159 10.919 -3.213 1.00 0.00 O ATOM 937 CB SER A 60 1.699 13.076 -4.786 1.00 0.00 C ATOM 938 OG SER A 60 3.024 13.401 -5.155 1.00 0.00 O ATOM 0 H SER A 60 3.041 11.392 -3.494 1.00 0.00 H new ATOM 0 HA SER A 60 1.564 13.839 -2.789 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.389 12.172 -5.309 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.028 13.874 -5.104 1.00 0.00 H new ATOM 0 HG SER A 60 3.072 13.526 -6.126 1.00 0.00 H new ATOM 944 N PRO A 61 -0.836 12.809 -2.583 1.00 0.00 N ATOM 945 CA PRO A 61 -2.087 12.118 -2.304 1.00 0.00 C ATOM 946 C PRO A 61 -2.737 11.628 -3.600 1.00 0.00 C ATOM 947 O PRO A 61 -3.453 10.625 -3.591 1.00 0.00 O ATOM 948 CB PRO A 61 -2.954 13.125 -1.545 1.00 0.00 C ATOM 949 CG PRO A 61 -2.400 14.480 -1.977 1.00 0.00 C ATOM 950 CD PRO A 61 -0.916 14.214 -2.226 1.00 0.00 C ATOM 0 HA PRO A 61 -1.941 11.220 -1.704 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.007 13.022 -1.805 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.877 12.987 -0.467 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.896 14.845 -2.876 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.545 15.235 -1.204 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.531 14.846 -3.026 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.323 14.429 -1.337 1.00 0.00 H new ATOM 958 N ALA A 62 -2.476 12.314 -4.717 1.00 0.00 N ATOM 959 CA ALA A 62 -3.046 11.999 -6.015 1.00 0.00 C ATOM 960 C ALA A 62 -2.265 10.936 -6.786 1.00 0.00 C ATOM 961 O ALA A 62 -2.717 10.489 -7.837 1.00 0.00 O ATOM 962 CB ALA A 62 -3.127 13.288 -6.828 1.00 0.00 C ATOM 0 H ALA A 62 -1.849 13.118 -4.736 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.036 11.573 -5.848 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.553 13.074 -7.808 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.759 14.008 -6.307 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.127 13.705 -6.950 1.00 0.00 H new ATOM 968 N ASP A 63 -1.114 10.515 -6.274 1.00 0.00 N ATOM 969 CA ASP A 63 -0.474 9.267 -6.672 1.00 0.00 C ATOM 970 C ASP A 63 -1.338 8.125 -6.120 1.00 0.00 C ATOM 971 O ASP A 63 -1.897 7.332 -6.877 1.00 0.00 O ATOM 972 CB ASP A 63 0.959 9.324 -6.126 1.00 0.00 C ATOM 973 CG ASP A 63 1.861 8.128 -6.380 1.00 0.00 C ATOM 974 OD1 ASP A 63 1.407 7.077 -6.859 1.00 0.00 O ATOM 975 OD2 ASP A 63 3.064 8.293 -6.071 1.00 0.00 O ATOM 0 H ASP A 63 -0.595 11.034 -5.566 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.400 9.105 -7.747 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.443 10.205 -6.548 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.901 9.477 -5.048 1.00 0.00 H new ATOM 980 N ALA A 64 -1.622 8.153 -4.810 1.00 0.00 N ATOM 981 CA ALA A 64 -2.366 7.086 -4.143 1.00 0.00 C ATOM 982 C ALA A 64 -3.784 6.935 -4.685 1.00 0.00 C ATOM 983 O ALA A 64 -4.229 5.802 -4.864 1.00 0.00 O ATOM 984 CB ALA A 64 -2.446 7.334 -2.640 1.00 0.00 C ATOM 0 H ALA A 64 -1.342 8.913 -4.190 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.818 6.166 -4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.004 6.526 -2.167 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.439 7.372 -2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.951 8.282 -2.454 1.00 0.00 H new ATOM 990 N LYS A 65 -4.504 8.046 -4.930 1.00 0.00 N ATOM 991 CA LYS A 65 -5.877 7.959 -5.447 1.00 0.00 C ATOM 992 C LYS A 65 -5.905 7.116 -6.711 1.00 0.00 C ATOM 993 O LYS A 65 -6.812 6.312 -6.881 1.00 0.00 O ATOM 994 CB LYS A 65 -6.535 9.336 -5.693 1.00 0.00 C ATOM 995 CG LYS A 65 -6.076 10.074 -6.964 1.00 0.00 C ATOM 996 CD LYS A 65 -6.530 11.536 -7.081 1.00 0.00 C ATOM 997 CE LYS A 65 -7.955 11.685 -7.638 1.00 0.00 C ATOM 998 NZ LYS A 65 -8.014 12.701 -8.712 1.00 0.00 N ATOM 0 H LYS A 65 -4.164 8.996 -4.781 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.472 7.479 -4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.615 9.199 -5.744 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.335 9.974 -4.832 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.987 10.046 -7.006 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.443 9.527 -7.833 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.480 12.005 -6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.836 12.075 -7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.298 10.725 -8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.634 11.965 -6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.989 12.776 -9.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.710 13.622 -8.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.384 12.420 -9.491 1.00 0.00 H new ATOM 1012 N ASP A 66 -4.936 7.344 -7.593 1.00 0.00 N ATOM 1013 CA ASP A 66 -4.950 6.779 -8.924 1.00 0.00 C ATOM 1014 C ASP A 66 -4.423 5.360 -8.890 1.00 0.00 C ATOM 1015 O ASP A 66 -4.953 4.502 -9.591 1.00 0.00 O ATOM 1016 CB ASP A 66 -4.099 7.612 -9.887 1.00 0.00 C ATOM 1017 CG ASP A 66 -5.009 8.256 -10.920 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -5.533 9.362 -10.662 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -5.287 7.627 -11.961 1.00 0.00 O ATOM 0 H ASP A 66 -4.122 7.927 -7.398 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.981 6.782 -9.278 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.550 8.378 -9.339 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.359 6.980 -10.379 1.00 0.00 H new ATOM 1024 N ALA A 67 -3.397 5.106 -8.073 1.00 0.00 N ATOM 1025 CA ALA A 67 -2.826 3.785 -7.903 1.00 0.00 C ATOM 1026 C ALA A 67 -3.898 2.825 -7.359 1.00 0.00 C ATOM 1027 O ALA A 67 -4.114 1.748 -7.923 1.00 0.00 O ATOM 1028 CB ALA A 67 -1.580 3.896 -7.013 1.00 0.00 C ATOM 0 H ALA A 67 -2.942 5.824 -7.510 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.500 3.365 -8.855 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.141 2.908 -6.877 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.852 4.555 -7.487 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.861 4.304 -6.042 1.00 0.00 H new ATOM 1034 N ALA A 68 -4.659 3.252 -6.341 1.00 0.00 N ATOM 1035 CA ALA A 68 -5.805 2.507 -5.814 1.00 0.00 C ATOM 1036 C ALA A 68 -6.942 2.359 -6.839 1.00 0.00 C ATOM 1037 O ALA A 68 -7.841 1.537 -6.637 1.00 0.00 O ATOM 1038 CB ALA A 68 -6.356 3.212 -4.560 1.00 0.00 C ATOM 0 H ALA A 68 -4.492 4.134 -5.857 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.444 1.508 -5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.208 2.653 -4.173 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.578 3.261 -3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.673 4.222 -4.820 1.00 0.00 H new ATOM 1044 N ARG A 69 -6.946 3.150 -7.915 1.00 0.00 N ATOM 1045 CA ARG A 69 -7.983 3.173 -8.944 1.00 0.00 C ATOM 1046 C ARG A 69 -7.517 2.513 -10.238 1.00 0.00 C ATOM 1047 O ARG A 69 -8.234 2.589 -11.239 1.00 0.00 O ATOM 1048 CB ARG A 69 -8.454 4.625 -9.144 1.00 0.00 C ATOM 1049 CG ARG A 69 -9.405 5.097 -8.034 1.00 0.00 C ATOM 1050 CD ARG A 69 -10.751 4.386 -8.179 1.00 0.00 C ATOM 1051 NE ARG A 69 -11.782 4.979 -7.318 1.00 0.00 N ATOM 1052 CZ ARG A 69 -13.032 5.294 -7.677 1.00 0.00 C ATOM 1053 NH1 ARG A 69 -13.485 5.048 -8.903 1.00 0.00 N ATOM 1054 NH2 ARG A 69 -13.838 5.875 -6.796 1.00 0.00 N ATOM 0 H ARG A 69 -6.197 3.817 -8.098 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.835 2.578 -8.615 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.586 5.283 -9.177 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.956 4.711 -10.108 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.973 4.885 -7.056 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -9.544 6.176 -8.094 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -11.076 4.433 -9.218 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.633 3.332 -7.929 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.520 5.170 -6.351 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -12.875 4.610 -9.594 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -14.442 5.297 -9.153 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -13.503 6.078 -5.854 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -14.792 6.119 -7.061 1.00 0.00 H new ATOM 1068 N ASP A 70 -6.381 1.819 -10.212 1.00 0.00 N ATOM 1069 CA ASP A 70 -5.915 0.990 -11.312 1.00 0.00 C ATOM 1070 C ASP A 70 -5.459 -0.375 -10.814 1.00 0.00 C ATOM 1071 O ASP A 70 -5.878 -1.398 -11.353 1.00 0.00 O ATOM 1072 CB ASP A 70 -4.776 1.700 -12.040 1.00 0.00 C ATOM 1073 CG ASP A 70 -4.146 0.818 -13.112 1.00 0.00 C ATOM 1074 OD1 ASP A 70 -4.871 0.102 -13.839 1.00 0.00 O ATOM 1075 OD2 ASP A 70 -2.896 0.831 -13.216 1.00 0.00 O ATOM 0 H ASP A 70 -5.751 1.820 -9.410 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.742 0.832 -12.004 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.153 2.614 -12.498 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.013 1.995 -11.319 1.00 0.00 H new ATOM 1080 N MET A 71 -4.598 -0.413 -9.795 1.00 0.00 N ATOM 1081 CA MET A 71 -3.902 -1.633 -9.393 1.00 0.00 C ATOM 1082 C MET A 71 -4.714 -2.535 -8.456 1.00 0.00 C ATOM 1083 O MET A 71 -4.237 -3.604 -8.070 1.00 0.00 O ATOM 1084 CB MET A 71 -2.530 -1.269 -8.812 1.00 0.00 C ATOM 1085 CG MET A 71 -1.506 -2.151 -9.524 1.00 0.00 C ATOM 1086 SD MET A 71 0.091 -2.287 -8.713 1.00 0.00 S ATOM 1087 CE MET A 71 -0.441 -3.626 -7.629 1.00 0.00 C ATOM 0 H MET A 71 -4.365 0.401 -9.227 1.00 0.00 H new ATOM 0 HA MET A 71 -3.762 -2.239 -10.288 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.310 -0.213 -8.971 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.507 -1.440 -7.736 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.926 -3.151 -9.632 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.352 -1.760 -10.530 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.259 -3.722 -6.799 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.436 -3.407 -7.241 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.468 -4.560 -8.191 1.00 0.00 H new ATOM 1097 N ASN A 72 -5.939 -2.136 -8.108 1.00 0.00 N ATOM 1098 CA ASN A 72 -6.926 -3.027 -7.509 1.00 0.00 C ATOM 1099 C ASN A 72 -7.256 -4.184 -8.458 1.00 0.00 C ATOM 1100 O ASN A 72 -6.879 -4.168 -9.628 1.00 0.00 O ATOM 1101 CB ASN A 72 -8.184 -2.237 -7.125 1.00 0.00 C ATOM 1102 CG ASN A 72 -8.934 -1.702 -8.340 1.00 0.00 C ATOM 1103 OD1 ASN A 72 -9.426 -2.465 -9.170 1.00 0.00 O ATOM 1104 ND2 ASN A 72 -9.027 -0.393 -8.475 1.00 0.00 N ATOM 0 H ASN A 72 -6.273 -1.181 -8.236 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.508 -3.459 -6.600 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.848 -2.878 -6.546 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.903 -1.404 -6.480 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.514 0.003 -9.279 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.612 0.223 -7.775 1.00 0.00 H new ATOM 1111 N GLY A 73 -7.951 -5.206 -7.950 1.00 0.00 N ATOM 1112 CA GLY A 73 -8.445 -6.333 -8.737 1.00 0.00 C ATOM 1113 C GLY A 73 -7.376 -7.190 -9.432 1.00 0.00 C ATOM 1114 O GLY A 73 -7.731 -8.100 -10.186 1.00 0.00 O ATOM 0 H GLY A 73 -8.189 -5.272 -6.960 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.030 -6.979 -8.082 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.125 -5.949 -9.497 1.00 0.00 H new ATOM 1118 N LYS A 74 -6.083 -6.900 -9.258 1.00 0.00 N ATOM 1119 CA LYS A 74 -5.000 -7.566 -9.973 1.00 0.00 C ATOM 1120 C LYS A 74 -4.642 -8.904 -9.370 1.00 0.00 C ATOM 1121 O LYS A 74 -4.980 -9.231 -8.236 1.00 0.00 O ATOM 1122 CB LYS A 74 -3.767 -6.644 -10.064 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.928 -5.647 -11.215 1.00 0.00 C ATOM 1124 CD LYS A 74 -2.573 -5.205 -11.783 1.00 0.00 C ATOM 1125 CE LYS A 74 -2.768 -4.263 -12.977 1.00 0.00 C ATOM 1126 NZ LYS A 74 -3.194 -4.989 -14.191 1.00 0.00 N ATOM 0 H LYS A 74 -5.759 -6.185 -8.606 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.357 -7.771 -10.982 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.637 -6.106 -9.125 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.868 -7.242 -10.216 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.523 -6.101 -12.007 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.477 -4.773 -10.864 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.994 -4.703 -11.008 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.000 -6.079 -12.093 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.513 -3.509 -12.726 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.836 -3.735 -13.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.249 -4.326 -14.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.505 -5.737 -14.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.129 -5.416 -14.030 1.00 0.00 H new ATOM 1140 N SER A 75 -3.856 -9.632 -10.150 1.00 0.00 N ATOM 1141 CA SER A 75 -3.002 -10.695 -9.677 1.00 0.00 C ATOM 1142 C SER A 75 -1.567 -10.221 -9.778 1.00 0.00 C ATOM 1143 O SER A 75 -1.240 -9.351 -10.598 1.00 0.00 O ATOM 1144 CB SER A 75 -3.245 -11.938 -10.526 1.00 0.00 C ATOM 1145 OG SER A 75 -2.545 -13.072 -10.072 1.00 0.00 O ATOM 0 H SER A 75 -3.798 -9.490 -11.158 1.00 0.00 H new ATOM 0 HA SER A 75 -3.216 -10.951 -8.639 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.312 -12.159 -10.536 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.954 -11.728 -11.555 1.00 0.00 H new ATOM 0 HG SER A 75 -2.743 -13.834 -10.655 1.00 0.00 H new ATOM 1151 N LEU A 76 -0.714 -10.817 -8.960 1.00 0.00 N ATOM 1152 CA LEU A 76 0.723 -10.609 -8.978 1.00 0.00 C ATOM 1153 C LEU A 76 1.391 -11.928 -8.617 1.00 0.00 C ATOM 1154 O LEU A 76 1.110 -12.486 -7.556 1.00 0.00 O ATOM 1155 CB LEU A 76 1.082 -9.462 -8.027 1.00 0.00 C ATOM 1156 CG LEU A 76 2.561 -9.046 -8.158 1.00 0.00 C ATOM 1157 CD1 LEU A 76 2.734 -7.556 -7.857 1.00 0.00 C ATOM 1158 CD2 LEU A 76 3.490 -9.835 -7.223 1.00 0.00 C ATOM 0 H LEU A 76 -1.013 -11.479 -8.244 1.00 0.00 H new ATOM 0 HA LEU A 76 1.082 -10.313 -9.964 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.444 -8.604 -8.237 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.880 -9.766 -7.000 1.00 0.00 H new ATOM 0 HG LEU A 76 2.840 -9.266 -9.188 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.785 -7.285 -7.955 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.141 -6.971 -8.560 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.399 -7.349 -6.840 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.517 -9.498 -7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.190 -9.670 -6.188 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.423 -10.898 -7.455 1.00 0.00 H new ATOM 1170 N ASP A 77 2.246 -12.423 -9.511 1.00 0.00 N ATOM 1171 CA ASP A 77 2.860 -13.756 -9.516 1.00 0.00 C ATOM 1172 C ASP A 77 1.814 -14.848 -9.228 1.00 0.00 C ATOM 1173 O ASP A 77 2.053 -15.821 -8.517 1.00 0.00 O ATOM 1174 CB ASP A 77 4.141 -13.812 -8.658 1.00 0.00 C ATOM 1175 CG ASP A 77 5.153 -14.834 -9.214 1.00 0.00 C ATOM 1176 OD1 ASP A 77 4.987 -16.063 -9.040 1.00 0.00 O ATOM 1177 OD2 ASP A 77 6.088 -14.417 -9.944 1.00 0.00 O ATOM 0 H ASP A 77 2.551 -11.866 -10.309 1.00 0.00 H new ATOM 0 HA ASP A 77 3.220 -13.975 -10.521 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.601 -12.824 -8.625 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.882 -14.077 -7.633 1.00 0.00 H new ATOM 1182 N GLY A 78 0.609 -14.677 -9.786 1.00 0.00 N ATOM 1183 CA GLY A 78 -0.487 -15.631 -9.677 1.00 0.00 C ATOM 1184 C GLY A 78 -1.358 -15.456 -8.432 1.00 0.00 C ATOM 1185 O GLY A 78 -2.264 -16.262 -8.218 1.00 0.00 O ATOM 0 H GLY A 78 0.370 -13.852 -10.336 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.118 -15.543 -10.562 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.075 -16.640 -9.678 1.00 0.00 H new ATOM 1189 N LYS A 79 -1.118 -14.439 -7.598 1.00 0.00 N ATOM 1190 CA LYS A 79 -1.847 -14.226 -6.348 1.00 0.00 C ATOM 1191 C LYS A 79 -2.775 -13.033 -6.507 1.00 0.00 C ATOM 1192 O LYS A 79 -2.293 -11.931 -6.768 1.00 0.00 O ATOM 1193 CB LYS A 79 -0.876 -13.979 -5.183 1.00 0.00 C ATOM 1194 CG LYS A 79 0.293 -14.963 -5.058 1.00 0.00 C ATOM 1195 CD LYS A 79 -0.181 -16.419 -4.991 1.00 0.00 C ATOM 1196 CE LYS A 79 0.728 -17.251 -4.083 1.00 0.00 C ATOM 1197 NZ LYS A 79 -0.075 -18.118 -3.201 1.00 0.00 N ATOM 0 H LYS A 79 -0.403 -13.733 -7.776 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.428 -15.120 -6.123 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.468 -12.973 -5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.444 -14.001 -4.253 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.962 -14.839 -5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.869 -14.729 -4.163 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.205 -16.455 -4.618 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.191 -16.848 -5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.398 -17.860 -4.690 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.354 -16.591 -3.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.558 -18.675 -2.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.696 -17.531 -2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.653 -18.761 -3.779 1.00 0.00 H new ATOM 1211 N ALA A 80 -4.083 -13.247 -6.364 1.00 0.00 N ATOM 1212 CA ALA A 80 -5.109 -12.215 -6.407 1.00 0.00 C ATOM 1213 C ALA A 80 -4.918 -11.216 -5.263 1.00 0.00 C ATOM 1214 O ALA A 80 -5.266 -11.504 -4.111 1.00 0.00 O ATOM 1215 CB ALA A 80 -6.496 -12.860 -6.305 1.00 0.00 C ATOM 0 H ALA A 80 -4.467 -14.179 -6.210 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.025 -11.680 -7.353 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.261 -12.084 -6.338 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.640 -13.547 -7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.574 -13.408 -5.366 1.00 0.00 H new ATOM 1221 N ILE A 81 -4.384 -10.041 -5.578 1.00 0.00 N ATOM 1222 CA ILE A 81 -4.202 -8.981 -4.607 1.00 0.00 C ATOM 1223 C ILE A 81 -5.505 -8.185 -4.449 1.00 0.00 C ATOM 1224 O ILE A 81 -6.413 -8.225 -5.283 1.00 0.00 O ATOM 1225 CB ILE A 81 -2.982 -8.097 -4.960 1.00 0.00 C ATOM 1226 CG1 ILE A 81 -3.187 -7.252 -6.235 1.00 0.00 C ATOM 1227 CG2 ILE A 81 -1.706 -8.957 -5.081 1.00 0.00 C ATOM 1228 CD1 ILE A 81 -2.125 -6.166 -6.398 1.00 0.00 C ATOM 0 H ILE A 81 -4.066 -9.801 -6.517 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.975 -9.419 -3.635 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.867 -7.391 -4.138 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.169 -7.906 -7.107 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.173 -6.789 -6.205 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.859 -8.318 -5.330 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.515 -9.460 -4.133 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.842 -9.701 -5.866 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.318 -5.603 -7.311 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.159 -5.492 -5.542 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.139 -6.627 -6.458 1.00 0.00 H new ATOM 1240 N LYS A 82 -5.555 -7.395 -3.383 1.00 0.00 N ATOM 1241 CA LYS A 82 -6.559 -6.400 -3.055 1.00 0.00 C ATOM 1242 C LYS A 82 -5.765 -5.117 -2.848 1.00 0.00 C ATOM 1243 O LYS A 82 -4.812 -5.136 -2.069 1.00 0.00 O ATOM 1244 CB LYS A 82 -7.327 -6.812 -1.777 1.00 0.00 C ATOM 1245 CG LYS A 82 -8.126 -8.117 -1.969 1.00 0.00 C ATOM 1246 CD LYS A 82 -9.341 -8.272 -1.037 1.00 0.00 C ATOM 1247 CE LYS A 82 -8.955 -8.465 0.435 1.00 0.00 C ATOM 1248 NZ LYS A 82 -10.141 -8.605 1.312 1.00 0.00 N ATOM 0 H LYS A 82 -4.830 -7.441 -2.667 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.315 -6.284 -3.832 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.621 -6.938 -0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.008 -6.010 -1.491 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.469 -8.168 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.456 -8.963 -1.814 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.974 -7.389 -1.127 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.935 -9.125 -1.365 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -8.328 -9.351 0.531 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -8.359 -7.615 0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -9.832 -8.733 2.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.727 -7.749 1.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.698 -9.431 1.014 1.00 0.00 H new ATOM 1262 N VAL A 83 -6.112 -4.034 -3.534 1.00 0.00 N ATOM 1263 CA VAL A 83 -5.559 -2.709 -3.290 1.00 0.00 C ATOM 1264 C VAL A 83 -6.773 -1.873 -2.931 1.00 0.00 C ATOM 1265 O VAL A 83 -7.721 -1.805 -3.710 1.00 0.00 O ATOM 1266 CB VAL A 83 -4.798 -2.149 -4.506 1.00 0.00 C ATOM 1267 CG1 VAL A 83 -4.216 -0.770 -4.191 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -3.651 -3.065 -4.941 1.00 0.00 C ATOM 0 H VAL A 83 -6.798 -4.054 -4.289 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.808 -2.714 -2.500 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.523 -2.080 -5.317 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.682 -0.392 -5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.023 -0.084 -3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.527 -0.849 -3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.144 -2.629 -5.802 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.943 -3.176 -4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.049 -4.043 -5.212 1.00 0.00 H new ATOM 1278 N GLU A 84 -6.787 -1.333 -1.720 1.00 0.00 N ATOM 1279 CA GLU A 84 -7.944 -0.692 -1.128 1.00 0.00 C ATOM 1280 C GLU A 84 -7.502 0.554 -0.379 1.00 0.00 C ATOM 1281 O GLU A 84 -6.326 0.908 -0.345 1.00 0.00 O ATOM 1282 CB GLU A 84 -8.637 -1.676 -0.169 1.00 0.00 C ATOM 1283 CG GLU A 84 -9.072 -3.003 -0.799 1.00 0.00 C ATOM 1284 CD GLU A 84 -10.201 -2.888 -1.822 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -10.723 -1.770 -2.047 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -10.611 -3.962 -2.312 1.00 0.00 O ATOM 0 H GLU A 84 -5.970 -1.331 -1.109 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.648 -0.403 -1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.960 -1.889 0.658 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.515 -1.188 0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.208 -3.460 -1.282 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.388 -3.680 -0.005 1.00 0.00 H new ATOM 1293 N GLN A 85 -8.444 1.244 0.249 1.00 0.00 N ATOM 1294 CA GLN A 85 -8.164 2.429 1.030 1.00 0.00 C ATOM 1295 C GLN A 85 -8.247 2.063 2.511 1.00 0.00 C ATOM 1296 O GLN A 85 -9.257 1.531 2.968 1.00 0.00 O ATOM 1297 CB GLN A 85 -9.132 3.530 0.579 1.00 0.00 C ATOM 1298 CG GLN A 85 -8.839 4.019 -0.849 1.00 0.00 C ATOM 1299 CD GLN A 85 -7.853 5.187 -0.843 1.00 0.00 C ATOM 1300 OE1 GLN A 85 -6.659 5.010 -0.308 1.00 0.00 O flip ATOM 1301 NE2 GLN A 85 -8.196 6.298 -1.232 1.00 0.00 N flip ATOM 0 H GLN A 85 -9.432 0.990 0.227 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.158 2.819 0.875 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -10.154 3.154 0.629 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.068 4.372 1.269 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.432 3.199 -1.440 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.768 4.327 -1.328 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.119 6.431 -1.645 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.558 7.089 -1.143 1.00 0.00 H new ATOM 1310 N ALA A 86 -7.164 2.308 3.262 1.00 0.00 N ATOM 1311 CA ALA A 86 -7.127 2.137 4.720 1.00 0.00 C ATOM 1312 C ALA A 86 -7.918 3.256 5.424 1.00 0.00 C ATOM 1313 O ALA A 86 -7.360 4.043 6.197 1.00 0.00 O ATOM 1314 CB ALA A 86 -5.677 2.065 5.221 1.00 0.00 C ATOM 0 H ALA A 86 -6.281 2.634 2.870 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.609 1.191 4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.672 1.938 6.304 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.172 1.219 4.754 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.156 2.987 4.961 1.00 0.00 H new ATOM 1320 N THR A 87 -9.209 3.358 5.133 1.00 0.00 N ATOM 1321 CA THR A 87 -10.085 4.442 5.555 1.00 0.00 C ATOM 1322 C THR A 87 -10.809 4.090 6.862 1.00 0.00 C ATOM 1323 O THR A 87 -10.688 2.982 7.388 1.00 0.00 O ATOM 1324 CB THR A 87 -11.101 4.724 4.428 1.00 0.00 C ATOM 1325 OG1 THR A 87 -10.646 4.304 3.163 1.00 0.00 O ATOM 1326 CG2 THR A 87 -11.363 6.214 4.237 1.00 0.00 C ATOM 0 H THR A 87 -9.694 2.657 4.573 1.00 0.00 H new ATOM 0 HA THR A 87 -9.489 5.334 5.745 1.00 0.00 H new ATOM 0 HB THR A 87 -11.989 4.180 4.750 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.327 4.504 2.487 1.00 0.00 H new ATOM 0 HG21 THR A 87 -12.085 6.356 3.433 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.761 6.635 5.160 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.431 6.718 3.981 1.00 0.00 H new