USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=16 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 Set 1.1: A 18 ASN : amide:sc= 0.532 K(o=0.55,f=-4.3!) USER MOD Set 1.2: A 19 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -179:sc= -0.383 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.19) USER MOD Single : A 32 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0114) USER MOD Single : A 33 TYR OH : rot 4:sc= 0 USER MOD Single : A 42 MET CE :methyl -157:sc= 0 (180deg=-0.0407) USER MOD Single : A 43 LYS NZ :NH3+ 176:sc= 1.23 (180deg=1.14) USER MOD Single : A 47 THR OG1 : rot -56:sc= 0.105 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0.045) USER MOD Single : A 49 LYS NZ :NH3+ -110:sc= 1.09 (180deg=-0.408) USER MOD Single : A 50 SER OG : rot -104:sc= 1.1 USER MOD Single : A 57 THR OG1 : rot -44:sc= 0.532 USER MOD Single : A 60 SER OG : rot 70:sc= 1.14 USER MOD Single : A 65 LYS NZ :NH3+ 165:sc= 1.28 (180deg=1.08) USER MOD Single : A 71 MET CE :methyl 138:sc= -0.81 (180deg=-1.12) USER MOD Single : A 72 ASN : amide:sc= 0.441 K(o=0.44,f=-6.5!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0.00314 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 : amide:sc= -0.298 X(o=-0.3,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N GLY A 10 -1.056 10.031 1.552 1.00 0.00 N ATOM 134 CA GLY A 10 -1.262 9.045 0.490 1.00 0.00 C ATOM 135 C GLY A 10 -1.164 7.578 0.925 1.00 0.00 C ATOM 136 O GLY A 10 -0.735 6.730 0.139 1.00 0.00 O ATOM 0 HA2 GLY A 10 -2.245 9.211 0.050 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.527 9.223 -0.295 1.00 0.00 H new ATOM 140 N LYS A 11 -1.555 7.272 2.164 1.00 0.00 N ATOM 141 CA LYS A 11 -1.455 5.933 2.735 1.00 0.00 C ATOM 142 C LYS A 11 -2.399 4.966 2.035 1.00 0.00 C ATOM 143 O LYS A 11 -3.550 5.322 1.756 1.00 0.00 O ATOM 144 CB LYS A 11 -1.712 6.002 4.251 1.00 0.00 C ATOM 145 CG LYS A 11 -0.482 6.643 4.905 1.00 0.00 C ATOM 146 CD LYS A 11 -0.374 6.496 6.417 1.00 0.00 C ATOM 147 CE LYS A 11 1.017 7.041 6.779 1.00 0.00 C ATOM 148 NZ LYS A 11 1.287 7.096 8.224 1.00 0.00 N ATOM 0 H LYS A 11 -1.955 7.958 2.805 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.448 5.548 2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.606 6.589 4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.884 5.004 4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.411 6.211 4.454 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.479 7.706 4.663 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.160 7.056 6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.479 5.454 6.719 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.774 6.418 6.303 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.122 8.043 6.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.243 7.474 8.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.589 7.714 8.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.221 6.139 8.626 1.00 0.00 H new ATOM 162 N LEU A 12 -1.920 3.751 1.775 1.00 0.00 N ATOM 163 CA LEU A 12 -2.624 2.715 1.027 1.00 0.00 C ATOM 164 C LEU A 12 -2.996 1.535 1.932 1.00 0.00 C ATOM 165 O LEU A 12 -2.730 1.560 3.135 1.00 0.00 O ATOM 166 CB LEU A 12 -1.798 2.284 -0.210 1.00 0.00 C ATOM 167 CG LEU A 12 -2.370 2.686 -1.582 1.00 0.00 C ATOM 168 CD1 LEU A 12 -3.791 2.186 -1.841 1.00 0.00 C ATOM 169 CD2 LEU A 12 -2.375 4.176 -1.832 1.00 0.00 C ATOM 0 H LEU A 12 -0.998 3.452 2.091 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.564 3.126 0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.798 2.707 -0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.689 1.200 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.678 2.196 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.117 2.513 -2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.808 1.097 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.463 2.591 -1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.792 4.378 -2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.982 4.670 -1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.355 4.556 -1.785 1.00 0.00 H new ATOM 181 N PHE A 13 -3.623 0.492 1.388 1.00 0.00 N ATOM 182 CA PHE A 13 -3.902 -0.745 2.105 1.00 0.00 C ATOM 183 C PHE A 13 -3.910 -1.890 1.090 1.00 0.00 C ATOM 184 O PHE A 13 -4.773 -1.895 0.211 1.00 0.00 O ATOM 185 CB PHE A 13 -5.279 -0.626 2.781 1.00 0.00 C ATOM 186 CG PHE A 13 -5.542 -1.644 3.867 1.00 0.00 C ATOM 187 CD1 PHE A 13 -5.717 -3.007 3.557 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.644 -1.218 5.202 1.00 0.00 C ATOM 189 CE1 PHE A 13 -5.969 -3.939 4.579 1.00 0.00 C ATOM 190 CE2 PHE A 13 -5.886 -2.148 6.222 1.00 0.00 C ATOM 191 CZ PHE A 13 -6.043 -3.512 5.916 1.00 0.00 C ATOM 0 H PHE A 13 -3.955 0.486 0.423 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.147 -0.935 2.868 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.373 0.372 3.208 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.052 -0.721 2.018 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.657 -3.337 2.530 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.536 -0.171 5.443 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.106 -4.983 4.337 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.952 -1.816 7.248 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.220 -4.228 6.705 1.00 0.00 H new ATOM 201 N ILE A 14 -3.004 -2.862 1.193 1.00 0.00 N ATOM 202 CA ILE A 14 -2.902 -3.964 0.237 1.00 0.00 C ATOM 203 C ILE A 14 -3.142 -5.289 0.960 1.00 0.00 C ATOM 204 O ILE A 14 -2.759 -5.458 2.123 1.00 0.00 O ATOM 205 CB ILE A 14 -1.530 -3.937 -0.482 1.00 0.00 C ATOM 206 CG1 ILE A 14 -1.238 -2.563 -1.124 1.00 0.00 C ATOM 207 CG2 ILE A 14 -1.400 -5.005 -1.584 1.00 0.00 C ATOM 208 CD1 ILE A 14 -0.328 -1.655 -0.287 1.00 0.00 C ATOM 0 H ILE A 14 -2.317 -2.907 1.946 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.666 -3.853 -0.532 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.807 -4.148 0.306 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.776 -2.721 -2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.183 -2.049 -1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.416 -4.932 -2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.522 -5.996 -1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.170 -4.844 -2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.175 -0.711 -0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.795 -1.462 0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.633 -2.145 -0.133 1.00 0.00 H new ATOM 220 N GLY A 15 -3.708 -6.254 0.241 1.00 0.00 N ATOM 221 CA GLY A 15 -3.815 -7.652 0.621 1.00 0.00 C ATOM 222 C GLY A 15 -3.543 -8.543 -0.586 1.00 0.00 C ATOM 223 O GLY A 15 -3.384 -8.054 -1.706 1.00 0.00 O ATOM 0 H GLY A 15 -4.126 -6.068 -0.671 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.104 -7.876 1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.810 -7.855 1.016 1.00 0.00 H new ATOM 227 N GLY A 16 -3.502 -9.854 -0.360 1.00 0.00 N ATOM 228 CA GLY A 16 -3.422 -10.866 -1.405 1.00 0.00 C ATOM 229 C GLY A 16 -2.049 -10.988 -2.076 1.00 0.00 C ATOM 230 O GLY A 16 -1.977 -11.505 -3.190 1.00 0.00 O ATOM 0 H GLY A 16 -3.524 -10.250 0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.689 -11.832 -0.977 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.166 -10.639 -2.169 1.00 0.00 H new ATOM 234 N LEU A 17 -0.977 -10.492 -1.444 1.00 0.00 N ATOM 235 CA LEU A 17 0.393 -10.562 -1.968 1.00 0.00 C ATOM 236 C LEU A 17 0.949 -11.990 -1.902 1.00 0.00 C ATOM 237 O LEU A 17 0.358 -12.866 -1.270 1.00 0.00 O ATOM 238 CB LEU A 17 1.333 -9.616 -1.191 1.00 0.00 C ATOM 239 CG LEU A 17 0.990 -8.120 -1.255 1.00 0.00 C ATOM 240 CD1 LEU A 17 2.099 -7.335 -0.560 1.00 0.00 C ATOM 241 CD2 LEU A 17 0.837 -7.617 -2.693 1.00 0.00 C ATOM 0 H LEU A 17 -1.039 -10.024 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 17 0.348 -10.250 -3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.340 -9.922 -0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.346 -9.752 -1.569 1.00 0.00 H new ATOM 0 HG LEU A 17 0.032 -7.972 -0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.869 -6.270 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.174 -7.654 0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.047 -7.520 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.595 -6.554 -2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.771 -7.771 -3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.036 -8.167 -3.188 1.00 0.00 H new ATOM 253 N ASN A 18 2.112 -12.204 -2.527 1.00 0.00 N ATOM 254 CA ASN A 18 2.936 -13.411 -2.403 1.00 0.00 C ATOM 255 C ASN A 18 3.590 -13.492 -1.020 1.00 0.00 C ATOM 256 O ASN A 18 3.430 -12.594 -0.193 1.00 0.00 O ATOM 257 CB ASN A 18 4.001 -13.400 -3.518 1.00 0.00 C ATOM 258 CG ASN A 18 4.487 -14.764 -3.993 1.00 0.00 C ATOM 259 OD1 ASN A 18 4.294 -15.793 -3.353 1.00 0.00 O ATOM 260 ND2 ASN A 18 5.159 -14.795 -5.131 1.00 0.00 N ATOM 0 H ASN A 18 2.521 -11.514 -3.158 1.00 0.00 H new ATOM 0 HA ASN A 18 2.305 -14.293 -2.511 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.595 -12.863 -4.375 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.862 -12.833 -3.165 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.523 -15.680 -5.485 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.314 -13.934 -5.655 1.00 0.00 H new ATOM 267 N THR A 19 4.347 -14.562 -0.790 1.00 0.00 N ATOM 268 CA THR A 19 4.949 -14.949 0.479 1.00 0.00 C ATOM 269 C THR A 19 6.456 -14.667 0.538 1.00 0.00 C ATOM 270 O THR A 19 7.055 -14.840 1.595 1.00 0.00 O ATOM 271 CB THR A 19 4.641 -16.447 0.731 1.00 0.00 C ATOM 272 OG1 THR A 19 4.178 -17.125 -0.435 1.00 0.00 O ATOM 273 CG2 THR A 19 3.524 -16.565 1.759 1.00 0.00 C ATOM 0 H THR A 19 4.569 -15.223 -1.534 1.00 0.00 H new ATOM 0 HA THR A 19 4.512 -14.339 1.270 1.00 0.00 H new ATOM 0 HB THR A 19 5.577 -16.897 1.063 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.001 -18.064 -0.219 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.305 -17.617 1.939 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.837 -16.095 2.691 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.630 -16.067 1.384 1.00 0.00 H new ATOM 281 N GLU A 20 7.071 -14.221 -0.560 1.00 0.00 N ATOM 282 CA GLU A 20 8.523 -14.095 -0.719 1.00 0.00 C ATOM 283 C GLU A 20 8.896 -12.661 -1.152 1.00 0.00 C ATOM 284 O GLU A 20 9.988 -12.396 -1.663 1.00 0.00 O ATOM 285 CB GLU A 20 8.958 -15.203 -1.703 1.00 0.00 C ATOM 286 CG GLU A 20 10.466 -15.471 -1.823 1.00 0.00 C ATOM 287 CD GLU A 20 11.158 -15.754 -0.485 1.00 0.00 C ATOM 288 OE1 GLU A 20 10.633 -16.535 0.345 1.00 0.00 O ATOM 289 OE2 GLU A 20 12.246 -15.176 -0.262 1.00 0.00 O ATOM 0 H GLU A 20 6.556 -13.928 -1.390 1.00 0.00 H new ATOM 0 HA GLU A 20 9.063 -14.240 0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.471 -16.132 -1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.579 -14.947 -2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.622 -16.321 -2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.942 -14.609 -2.291 1.00 0.00 H new ATOM 296 N THR A 21 7.964 -11.726 -0.982 1.00 0.00 N ATOM 297 CA THR A 21 7.983 -10.377 -1.507 1.00 0.00 C ATOM 298 C THR A 21 8.531 -9.420 -0.446 1.00 0.00 C ATOM 299 O THR A 21 8.151 -9.515 0.727 1.00 0.00 O ATOM 300 CB THR A 21 6.544 -10.083 -1.948 1.00 0.00 C ATOM 301 OG1 THR A 21 6.231 -10.910 -3.047 1.00 0.00 O ATOM 302 CG2 THR A 21 6.291 -8.643 -2.348 1.00 0.00 C ATOM 0 H THR A 21 7.122 -11.911 -0.436 1.00 0.00 H new ATOM 0 HA THR A 21 8.645 -10.249 -2.364 1.00 0.00 H new ATOM 0 HB THR A 21 5.913 -10.280 -1.081 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.318 -10.722 -3.348 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.249 -8.526 -2.645 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.503 -7.988 -1.503 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.939 -8.378 -3.184 1.00 0.00 H new ATOM 310 N ASN A 22 9.422 -8.507 -0.854 1.00 0.00 N ATOM 311 CA ASN A 22 10.081 -7.534 0.019 1.00 0.00 C ATOM 312 C ASN A 22 9.746 -6.114 -0.431 1.00 0.00 C ATOM 313 O ASN A 22 9.393 -5.883 -1.584 1.00 0.00 O ATOM 314 CB ASN A 22 11.609 -7.639 -0.052 1.00 0.00 C ATOM 315 CG ASN A 22 12.195 -8.966 0.324 1.00 0.00 C ATOM 316 OD1 ASN A 22 12.589 -9.200 1.461 1.00 0.00 O ATOM 317 ND2 ASN A 22 12.345 -9.827 -0.650 1.00 0.00 N ATOM 0 H ASN A 22 9.711 -8.425 -1.829 1.00 0.00 H new ATOM 0 HA ASN A 22 9.729 -7.746 1.029 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.923 -7.401 -1.068 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.036 -6.878 0.600 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.801 -10.722 -0.474 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.006 -9.603 -1.586 1.00 0.00 H new ATOM 324 N GLU A 23 9.999 -5.138 0.434 1.00 0.00 N ATOM 325 CA GLU A 23 9.808 -3.707 0.215 1.00 0.00 C ATOM 326 C GLU A 23 10.606 -3.278 -1.000 1.00 0.00 C ATOM 327 O GLU A 23 10.095 -2.590 -1.878 1.00 0.00 O ATOM 328 CB GLU A 23 10.250 -2.853 1.417 1.00 0.00 C ATOM 329 CG GLU A 23 9.613 -3.274 2.743 1.00 0.00 C ATOM 330 CD GLU A 23 10.478 -4.268 3.514 1.00 0.00 C ATOM 331 OE1 GLU A 23 10.729 -5.377 3.000 1.00 0.00 O ATOM 332 OE2 GLU A 23 10.870 -3.970 4.664 1.00 0.00 O ATOM 0 H GLU A 23 10.366 -5.336 1.365 1.00 0.00 H new ATOM 0 HA GLU A 23 8.740 -3.546 0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.334 -2.910 1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.001 -1.810 1.220 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.443 -2.390 3.358 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.637 -3.719 2.549 1.00 0.00 H new ATOM 339 N LYS A 24 11.849 -3.752 -1.083 1.00 0.00 N ATOM 340 CA LYS A 24 12.716 -3.461 -2.207 1.00 0.00 C ATOM 341 C LYS A 24 12.079 -3.843 -3.541 1.00 0.00 C ATOM 342 O LYS A 24 12.292 -3.141 -4.526 1.00 0.00 O ATOM 343 CB LYS A 24 14.091 -4.134 -2.009 1.00 0.00 C ATOM 344 CG LYS A 24 14.007 -5.654 -1.743 1.00 0.00 C ATOM 345 CD LYS A 24 15.282 -6.461 -2.027 1.00 0.00 C ATOM 346 CE LYS A 24 16.322 -6.520 -0.901 1.00 0.00 C ATOM 347 NZ LYS A 24 16.800 -5.195 -0.456 1.00 0.00 N ATOM 0 H LYS A 24 12.275 -4.346 -0.372 1.00 0.00 H new ATOM 0 HA LYS A 24 12.868 -2.382 -2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 24 14.700 -3.963 -2.896 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.603 -3.656 -1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.731 -5.805 -0.699 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.199 -6.064 -2.349 1.00 0.00 H new ATOM 0 HD2 LYS A 24 14.991 -7.482 -2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.761 -6.041 -2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.890 -7.044 -0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.175 -7.108 -1.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 17.615 -5.315 0.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 17.086 -4.633 -1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.036 -4.702 0.050 1.00 0.00 H new ATOM 361 N ALA A 25 11.293 -4.922 -3.597 1.00 0.00 N ATOM 362 CA ALA A 25 10.588 -5.325 -4.800 1.00 0.00 C ATOM 363 C ALA A 25 9.423 -4.365 -5.051 1.00 0.00 C ATOM 364 O ALA A 25 9.275 -3.863 -6.168 1.00 0.00 O ATOM 365 CB ALA A 25 10.114 -6.777 -4.676 1.00 0.00 C ATOM 0 H ALA A 25 11.132 -5.539 -2.800 1.00 0.00 H new ATOM 0 HA ALA A 25 11.260 -5.276 -5.657 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.587 -7.067 -5.585 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.975 -7.430 -4.532 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.443 -6.869 -3.822 1.00 0.00 H new ATOM 371 N LEU A 26 8.638 -4.090 -4.001 1.00 0.00 N ATOM 372 CA LEU A 26 7.459 -3.219 -3.988 1.00 0.00 C ATOM 373 C LEU A 26 7.731 -1.820 -4.510 1.00 0.00 C ATOM 374 O LEU A 26 6.824 -1.214 -5.087 1.00 0.00 O ATOM 375 CB LEU A 26 6.919 -3.071 -2.555 1.00 0.00 C ATOM 376 CG LEU A 26 5.796 -4.027 -2.154 1.00 0.00 C ATOM 377 CD1 LEU A 26 4.511 -3.720 -2.916 1.00 0.00 C ATOM 378 CD2 LEU A 26 6.118 -5.498 -2.332 1.00 0.00 C ATOM 0 H LEU A 26 8.822 -4.495 -3.083 1.00 0.00 H new ATOM 0 HA LEU A 26 6.738 -3.702 -4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.748 -3.207 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.561 -2.049 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 26 5.669 -3.853 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.731 -4.417 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.193 -2.700 -2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.689 -3.823 -3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.262 -6.098 -2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.340 -5.698 -3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.983 -5.757 -1.722 1.00 0.00 H new ATOM 390 N GLU A 27 8.948 -1.321 -4.302 1.00 0.00 N ATOM 391 CA GLU A 27 9.369 -0.008 -4.764 1.00 0.00 C ATOM 392 C GLU A 27 9.054 0.137 -6.252 1.00 0.00 C ATOM 393 O GLU A 27 8.503 1.143 -6.673 1.00 0.00 O ATOM 394 CB GLU A 27 10.877 0.161 -4.529 1.00 0.00 C ATOM 395 CG GLU A 27 11.297 0.387 -3.066 1.00 0.00 C ATOM 396 CD GLU A 27 12.803 0.169 -2.837 1.00 0.00 C ATOM 397 OE1 GLU A 27 13.594 0.145 -3.815 1.00 0.00 O ATOM 398 OE2 GLU A 27 13.222 0.042 -1.664 1.00 0.00 O ATOM 0 H GLU A 27 9.677 -1.828 -3.800 1.00 0.00 H new ATOM 0 HA GLU A 27 8.833 0.762 -4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.387 -0.727 -4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.228 1.004 -5.124 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.032 1.402 -2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.735 -0.290 -2.423 1.00 0.00 H new ATOM 405 N ALA A 28 9.358 -0.887 -7.050 1.00 0.00 N ATOM 406 CA ALA A 28 9.084 -0.887 -8.477 1.00 0.00 C ATOM 407 C ALA A 28 7.589 -1.058 -8.763 1.00 0.00 C ATOM 408 O ALA A 28 7.052 -0.367 -9.630 1.00 0.00 O ATOM 409 CB ALA A 28 9.883 -2.023 -9.107 1.00 0.00 C ATOM 0 H ALA A 28 9.804 -1.742 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 28 9.379 0.071 -8.905 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.696 -2.047 -10.181 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.946 -1.864 -8.927 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.578 -2.971 -8.664 1.00 0.00 H new ATOM 415 N VAL A 29 6.926 -1.968 -8.036 1.00 0.00 N ATOM 416 CA VAL A 29 5.526 -2.358 -8.235 1.00 0.00 C ATOM 417 C VAL A 29 4.644 -1.111 -8.273 1.00 0.00 C ATOM 418 O VAL A 29 3.871 -0.910 -9.212 1.00 0.00 O ATOM 419 CB VAL A 29 5.069 -3.321 -7.110 1.00 0.00 C ATOM 420 CG1 VAL A 29 3.589 -3.700 -7.244 1.00 0.00 C ATOM 421 CG2 VAL A 29 5.890 -4.620 -7.054 1.00 0.00 C ATOM 0 H VAL A 29 7.367 -2.470 -7.266 1.00 0.00 H new ATOM 0 HA VAL A 29 5.432 -2.882 -9.186 1.00 0.00 H new ATOM 0 HB VAL A 29 5.231 -2.763 -6.188 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.312 -4.376 -6.435 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.977 -2.800 -7.191 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.425 -4.194 -8.202 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.520 -5.250 -6.245 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.795 -5.152 -8.001 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.938 -4.380 -6.876 1.00 0.00 H new ATOM 431 N PHE A 30 4.740 -0.289 -7.228 1.00 0.00 N ATOM 432 CA PHE A 30 3.917 0.899 -7.099 1.00 0.00 C ATOM 433 C PHE A 30 4.666 2.140 -7.586 1.00 0.00 C ATOM 434 O PHE A 30 4.035 3.166 -7.823 1.00 0.00 O ATOM 435 CB PHE A 30 3.422 1.018 -5.652 1.00 0.00 C ATOM 436 CG PHE A 30 2.415 -0.052 -5.265 1.00 0.00 C ATOM 437 CD1 PHE A 30 2.825 -1.288 -4.737 1.00 0.00 C ATOM 438 CD2 PHE A 30 1.050 0.164 -5.509 1.00 0.00 C ATOM 439 CE1 PHE A 30 1.869 -2.285 -4.461 1.00 0.00 C ATOM 440 CE2 PHE A 30 0.109 -0.852 -5.306 1.00 0.00 C ATOM 441 CZ PHE A 30 0.509 -2.065 -4.731 1.00 0.00 C ATOM 0 H PHE A 30 5.389 -0.432 -6.454 1.00 0.00 H new ATOM 0 HA PHE A 30 3.039 0.815 -7.740 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.277 0.961 -4.978 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.969 1.999 -5.511 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.871 -1.473 -4.543 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.720 1.131 -5.859 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.185 -3.227 -4.038 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.922 -0.701 -5.592 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.222 -2.824 -4.497 1.00 0.00 H new ATOM 451 N GLY A 31 5.987 2.069 -7.788 1.00 0.00 N ATOM 452 CA GLY A 31 6.790 3.225 -8.155 1.00 0.00 C ATOM 453 C GLY A 31 6.359 3.807 -9.492 1.00 0.00 C ATOM 454 O GLY A 31 6.430 5.019 -9.677 1.00 0.00 O ATOM 0 H GLY A 31 6.523 1.205 -7.700 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.704 3.988 -7.381 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.840 2.938 -8.205 1.00 0.00 H new ATOM 458 N LYS A 32 5.852 2.964 -10.398 1.00 0.00 N ATOM 459 CA LYS A 32 5.343 3.307 -11.727 1.00 0.00 C ATOM 460 C LYS A 32 4.055 4.149 -11.739 1.00 0.00 C ATOM 461 O LYS A 32 3.326 4.106 -12.732 1.00 0.00 O ATOM 462 CB LYS A 32 5.206 2.008 -12.545 1.00 0.00 C ATOM 463 CG LYS A 32 4.078 1.078 -12.075 1.00 0.00 C ATOM 464 CD LYS A 32 4.137 -0.319 -12.713 1.00 0.00 C ATOM 465 CE LYS A 32 3.852 -0.331 -14.224 1.00 0.00 C ATOM 466 NZ LYS A 32 2.468 0.074 -14.557 1.00 0.00 N ATOM 0 H LYS A 32 5.783 1.964 -10.210 1.00 0.00 H new ATOM 0 HA LYS A 32 6.070 3.973 -12.191 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.035 2.267 -13.590 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.150 1.465 -12.502 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.128 0.977 -10.991 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.117 1.536 -12.309 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.124 -0.746 -12.537 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.416 -0.966 -12.213 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.551 0.339 -14.725 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.035 -1.332 -14.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.316 -0.019 -15.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.796 -0.537 -14.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.318 1.063 -14.273 1.00 0.00 H new ATOM 480 N TYR A 33 3.749 4.865 -10.661 1.00 0.00 N ATOM 481 CA TYR A 33 2.569 5.713 -10.535 1.00 0.00 C ATOM 482 C TYR A 33 2.889 7.131 -10.039 1.00 0.00 C ATOM 483 O TYR A 33 2.041 8.010 -10.201 1.00 0.00 O ATOM 484 CB TYR A 33 1.530 5.030 -9.634 1.00 0.00 C ATOM 485 CG TYR A 33 0.881 3.787 -10.220 1.00 0.00 C ATOM 486 CD1 TYR A 33 1.546 2.551 -10.145 1.00 0.00 C ATOM 487 CD2 TYR A 33 -0.391 3.862 -10.827 1.00 0.00 C ATOM 488 CE1 TYR A 33 0.961 1.388 -10.667 1.00 0.00 C ATOM 489 CE2 TYR A 33 -0.990 2.699 -11.350 1.00 0.00 C ATOM 490 CZ TYR A 33 -0.321 1.456 -11.258 1.00 0.00 C ATOM 491 OH TYR A 33 -0.929 0.317 -11.681 1.00 0.00 O ATOM 0 H TYR A 33 4.334 4.871 -9.825 1.00 0.00 H new ATOM 0 HA TYR A 33 2.155 5.838 -11.536 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.010 4.760 -8.693 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.748 5.751 -9.397 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.519 2.496 -9.680 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.905 4.810 -10.890 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.487 0.446 -10.618 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.960 2.756 -11.821 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.379 -0.457 -11.439 1.00 0.00 H new ATOM 501 N GLY A 34 4.084 7.424 -9.511 1.00 0.00 N ATOM 502 CA GLY A 34 4.354 8.747 -8.955 1.00 0.00 C ATOM 503 C GLY A 34 5.620 8.779 -8.124 1.00 0.00 C ATOM 504 O GLY A 34 6.718 8.945 -8.665 1.00 0.00 O ATOM 0 H GLY A 34 4.866 6.771 -9.459 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.438 9.469 -9.767 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.510 9.058 -8.339 1.00 0.00 H new ATOM 508 N ARG A 35 5.454 8.664 -6.808 1.00 0.00 N ATOM 509 CA ARG A 35 6.564 8.667 -5.850 1.00 0.00 C ATOM 510 C ARG A 35 6.153 8.048 -4.519 1.00 0.00 C ATOM 511 O ARG A 35 5.253 8.567 -3.854 1.00 0.00 O ATOM 512 CB ARG A 35 7.103 10.100 -5.668 1.00 0.00 C ATOM 513 CG ARG A 35 8.560 10.067 -5.184 1.00 0.00 C ATOM 514 CD ARG A 35 9.237 11.443 -5.212 1.00 0.00 C ATOM 515 NE ARG A 35 9.234 12.040 -6.558 1.00 0.00 N ATOM 516 CZ ARG A 35 10.104 11.831 -7.557 1.00 0.00 C ATOM 517 NH1 ARG A 35 11.130 10.995 -7.440 1.00 0.00 N ATOM 518 NH2 ARG A 35 9.937 12.473 -8.702 1.00 0.00 N ATOM 0 H ARG A 35 4.538 8.565 -6.370 1.00 0.00 H new ATOM 0 HA ARG A 35 7.367 8.049 -6.251 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.039 10.642 -6.612 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.486 10.639 -4.948 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.590 9.675 -4.167 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.128 9.377 -5.808 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.725 12.111 -4.519 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.265 11.347 -4.862 1.00 0.00 H new ATOM 0 HE ARG A 35 8.476 12.694 -6.755 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.277 10.486 -6.568 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.771 10.862 -8.222 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.154 13.117 -8.816 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.591 12.324 -9.470 1.00 0.00 H new ATOM 532 N ILE A 36 6.794 6.951 -4.120 1.00 0.00 N ATOM 533 CA ILE A 36 6.602 6.312 -2.815 1.00 0.00 C ATOM 534 C ILE A 36 7.568 6.971 -1.819 1.00 0.00 C ATOM 535 O ILE A 36 8.658 7.381 -2.222 1.00 0.00 O ATOM 536 CB ILE A 36 6.864 4.788 -2.927 1.00 0.00 C ATOM 537 CG1 ILE A 36 6.092 4.153 -4.106 1.00 0.00 C ATOM 538 CG2 ILE A 36 6.467 4.058 -1.630 1.00 0.00 C ATOM 539 CD1 ILE A 36 6.399 2.668 -4.304 1.00 0.00 C ATOM 0 H ILE A 36 7.476 6.470 -4.706 1.00 0.00 H new ATOM 0 HA ILE A 36 5.577 6.442 -2.468 1.00 0.00 H new ATOM 0 HB ILE A 36 7.934 4.675 -3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.022 4.276 -3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.335 4.692 -5.022 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.662 2.991 -1.739 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.051 4.451 -0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.406 4.215 -1.434 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.823 2.287 -5.148 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.463 2.540 -4.503 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.130 2.117 -3.403 1.00 0.00 H new ATOM 551 N VAL A 37 7.215 7.027 -0.528 1.00 0.00 N ATOM 552 CA VAL A 37 8.123 7.425 0.561 1.00 0.00 C ATOM 553 C VAL A 37 8.024 6.529 1.807 1.00 0.00 C ATOM 554 O VAL A 37 8.868 6.635 2.701 1.00 0.00 O ATOM 555 CB VAL A 37 7.927 8.913 0.926 1.00 0.00 C ATOM 556 CG1 VAL A 37 8.527 9.812 -0.160 1.00 0.00 C ATOM 557 CG2 VAL A 37 6.452 9.270 1.161 1.00 0.00 C ATOM 0 H VAL A 37 6.276 6.794 -0.204 1.00 0.00 H new ATOM 0 HA VAL A 37 9.134 7.287 0.177 1.00 0.00 H new ATOM 0 HB VAL A 37 8.452 9.084 1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.381 10.858 0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.593 9.607 -0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.034 9.612 -1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.369 10.327 1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.880 9.068 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.058 8.669 1.980 1.00 0.00 H new ATOM 567 N GLU A 38 7.050 5.621 1.888 1.00 0.00 N ATOM 568 CA GLU A 38 6.996 4.602 2.937 1.00 0.00 C ATOM 569 C GLU A 38 6.490 3.290 2.326 1.00 0.00 C ATOM 570 O GLU A 38 5.634 3.302 1.437 1.00 0.00 O ATOM 571 CB GLU A 38 6.140 5.080 4.137 1.00 0.00 C ATOM 572 CG GLU A 38 6.986 5.404 5.365 1.00 0.00 C ATOM 573 CD GLU A 38 6.190 5.778 6.631 1.00 0.00 C ATOM 574 OE1 GLU A 38 4.952 5.972 6.616 1.00 0.00 O ATOM 575 OE2 GLU A 38 6.838 5.872 7.701 1.00 0.00 O ATOM 0 H GLU A 38 6.275 5.572 1.227 1.00 0.00 H new ATOM 0 HA GLU A 38 7.994 4.426 3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.574 5.965 3.846 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.415 4.307 4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.614 4.542 5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.654 6.229 5.119 1.00 0.00 H new ATOM 582 N VAL A 39 7.042 2.164 2.786 1.00 0.00 N ATOM 583 CA VAL A 39 6.592 0.806 2.518 1.00 0.00 C ATOM 584 C VAL A 39 6.761 0.076 3.851 1.00 0.00 C ATOM 585 O VAL A 39 7.824 0.180 4.470 1.00 0.00 O ATOM 586 CB VAL A 39 7.411 0.130 1.391 1.00 0.00 C ATOM 587 CG1 VAL A 39 6.914 -1.302 1.154 1.00 0.00 C ATOM 588 CG2 VAL A 39 7.338 0.865 0.043 1.00 0.00 C ATOM 0 H VAL A 39 7.863 2.183 3.391 1.00 0.00 H new ATOM 0 HA VAL A 39 5.562 0.785 2.162 1.00 0.00 H new ATOM 0 HB VAL A 39 8.444 0.151 1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.500 -1.764 0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.025 -1.882 2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.863 -1.279 0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.937 0.331 -0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.302 0.908 -0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.724 1.878 0.159 1.00 0.00 H new ATOM 598 N LEU A 40 5.736 -0.657 4.279 1.00 0.00 N ATOM 599 CA LEU A 40 5.639 -1.363 5.545 1.00 0.00 C ATOM 600 C LEU A 40 5.024 -2.720 5.202 1.00 0.00 C ATOM 601 O LEU A 40 3.849 -2.800 4.831 1.00 0.00 O ATOM 602 CB LEU A 40 4.791 -0.532 6.535 1.00 0.00 C ATOM 603 CG LEU A 40 5.508 -0.272 7.869 1.00 0.00 C ATOM 604 CD1 LEU A 40 4.756 0.783 8.687 1.00 0.00 C ATOM 605 CD2 LEU A 40 5.610 -1.558 8.691 1.00 0.00 C ATOM 0 H LEU A 40 4.898 -0.779 3.710 1.00 0.00 H new ATOM 0 HA LEU A 40 6.599 -1.511 6.040 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.536 0.422 6.074 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.854 -1.053 6.728 1.00 0.00 H new ATOM 0 HG LEU A 40 6.511 0.090 7.640 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.278 0.954 9.628 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.709 1.715 8.124 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.745 0.432 8.892 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.121 -1.349 9.631 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.609 -1.938 8.898 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.172 -2.305 8.130 1.00 0.00 H new ATOM 617 N LEU A 41 5.842 -3.775 5.192 1.00 0.00 N ATOM 618 CA LEU A 41 5.501 -5.041 4.556 1.00 0.00 C ATOM 619 C LEU A 41 5.425 -6.123 5.620 1.00 0.00 C ATOM 620 O LEU A 41 6.443 -6.574 6.142 1.00 0.00 O ATOM 621 CB LEU A 41 6.501 -5.337 3.441 1.00 0.00 C ATOM 622 CG LEU A 41 5.956 -6.298 2.375 1.00 0.00 C ATOM 623 CD1 LEU A 41 6.944 -6.331 1.222 1.00 0.00 C ATOM 624 CD2 LEU A 41 5.751 -7.741 2.834 1.00 0.00 C ATOM 0 H LEU A 41 6.764 -3.771 5.629 1.00 0.00 H new ATOM 0 HA LEU A 41 4.521 -4.998 4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.789 -4.401 2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.405 -5.763 3.877 1.00 0.00 H new ATOM 0 HG LEU A 41 4.971 -5.914 2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.579 -7.008 0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.051 -5.329 0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.912 -6.679 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.364 -8.335 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.703 -8.156 3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.040 -7.763 3.660 1.00 0.00 H new ATOM 636 N MET A 42 4.198 -6.494 5.979 1.00 0.00 N ATOM 637 CA MET A 42 3.923 -7.281 7.174 1.00 0.00 C ATOM 638 C MET A 42 4.474 -8.689 6.983 1.00 0.00 C ATOM 639 O MET A 42 3.973 -9.450 6.146 1.00 0.00 O ATOM 640 CB MET A 42 2.426 -7.302 7.527 1.00 0.00 C ATOM 641 CG MET A 42 1.673 -5.999 7.231 1.00 0.00 C ATOM 642 SD MET A 42 2.479 -4.413 7.575 1.00 0.00 S ATOM 643 CE MET A 42 2.773 -4.584 9.345 1.00 0.00 C ATOM 0 H MET A 42 3.363 -6.254 5.444 1.00 0.00 H new ATOM 0 HA MET A 42 4.423 -6.811 8.021 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.949 -8.113 6.976 1.00 0.00 H new ATOM 0 HB3 MET A 42 2.321 -7.532 8.587 1.00 0.00 H new ATOM 0 HG2 MET A 42 1.405 -6.008 6.175 1.00 0.00 H new ATOM 0 HG3 MET A 42 0.742 -6.023 7.797 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.874 -3.596 9.794 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.934 -5.107 9.804 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.689 -5.152 9.509 1.00 0.00 H new ATOM 653 N LYS A 43 5.518 -9.034 7.723 1.00 0.00 N ATOM 654 CA LYS A 43 6.216 -10.304 7.591 1.00 0.00 C ATOM 655 C LYS A 43 5.814 -11.245 8.697 1.00 0.00 C ATOM 656 O LYS A 43 5.486 -10.842 9.811 1.00 0.00 O ATOM 657 CB LYS A 43 7.733 -10.097 7.564 1.00 0.00 C ATOM 658 CG LYS A 43 8.148 -9.579 6.181 1.00 0.00 C ATOM 659 CD LYS A 43 9.269 -8.547 6.320 1.00 0.00 C ATOM 660 CE LYS A 43 9.482 -7.762 5.029 1.00 0.00 C ATOM 661 NZ LYS A 43 10.797 -7.110 5.049 1.00 0.00 N ATOM 0 H LYS A 43 5.910 -8.429 8.444 1.00 0.00 H new ATOM 0 HA LYS A 43 5.929 -10.755 6.641 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.029 -9.386 8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.244 -11.035 7.782 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.483 -10.409 5.559 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.290 -9.130 5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.029 -7.857 7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.195 -9.052 6.595 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.412 -8.431 4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.698 -7.014 4.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.962 -6.634 4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.825 -6.409 5.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.536 -7.825 5.205 1.00 0.00 H new ATOM 675 N ASP A 44 5.866 -12.514 8.330 1.00 0.00 N ATOM 676 CA ASP A 44 5.486 -13.654 9.159 1.00 0.00 C ATOM 677 C ASP A 44 6.494 -13.825 10.295 1.00 0.00 C ATOM 678 O ASP A 44 7.507 -13.116 10.347 1.00 0.00 O ATOM 679 CB ASP A 44 5.369 -14.940 8.305 1.00 0.00 C ATOM 680 CG ASP A 44 4.177 -15.782 8.745 1.00 0.00 C ATOM 681 OD1 ASP A 44 4.055 -16.021 9.966 1.00 0.00 O ATOM 682 OD2 ASP A 44 3.391 -16.204 7.875 1.00 0.00 O ATOM 0 H ASP A 44 6.189 -12.795 7.404 1.00 0.00 H new ATOM 0 HA ASP A 44 4.505 -13.466 9.596 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.262 -14.674 7.253 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.285 -15.525 8.395 1.00 0.00 H new ATOM 687 N ARG A 45 6.308 -14.833 11.139 1.00 0.00 N ATOM 688 CA ARG A 45 7.282 -15.236 12.155 1.00 0.00 C ATOM 689 C ARG A 45 8.051 -16.489 11.793 1.00 0.00 C ATOM 690 O ARG A 45 8.837 -16.972 12.606 1.00 0.00 O ATOM 691 CB ARG A 45 6.592 -15.379 13.521 1.00 0.00 C ATOM 692 CG ARG A 45 5.684 -16.616 13.693 1.00 0.00 C ATOM 693 CD ARG A 45 4.362 -16.538 12.914 1.00 0.00 C ATOM 694 NE ARG A 45 3.162 -16.761 13.736 1.00 0.00 N ATOM 695 CZ ARG A 45 2.443 -17.887 13.790 1.00 0.00 C ATOM 696 NH1 ARG A 45 2.977 -19.043 13.404 1.00 0.00 N ATOM 697 NH2 ARG A 45 1.207 -17.863 14.278 1.00 0.00 N ATOM 0 H ARG A 45 5.463 -15.405 11.139 1.00 0.00 H new ATOM 0 HA ARG A 45 8.027 -14.443 12.210 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.361 -15.407 14.293 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.993 -14.486 13.699 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.231 -17.502 13.371 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.462 -16.746 14.752 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.289 -15.558 12.443 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.382 -17.276 12.112 1.00 0.00 H new ATOM 0 HE ARG A 45 2.850 -15.984 14.319 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.939 -19.073 13.065 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.425 -19.899 13.447 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.807 -16.986 14.611 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.658 -18.722 14.319 1.00 0.00 H new ATOM 711 N GLU A 46 7.802 -17.045 10.615 1.00 0.00 N ATOM 712 CA GLU A 46 8.434 -18.274 10.197 1.00 0.00 C ATOM 713 C GLU A 46 9.869 -17.931 9.819 1.00 0.00 C ATOM 714 O GLU A 46 10.794 -18.261 10.559 1.00 0.00 O ATOM 715 CB GLU A 46 7.630 -18.973 9.086 1.00 0.00 C ATOM 716 CG GLU A 46 6.145 -19.072 9.481 1.00 0.00 C ATOM 717 CD GLU A 46 5.358 -20.185 8.786 1.00 0.00 C ATOM 718 OE1 GLU A 46 5.860 -20.789 7.807 1.00 0.00 O ATOM 719 OE2 GLU A 46 4.222 -20.452 9.238 1.00 0.00 O ATOM 0 H GLU A 46 7.157 -16.653 9.929 1.00 0.00 H new ATOM 0 HA GLU A 46 8.455 -19.009 11.001 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.729 -18.419 8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.033 -19.970 8.909 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.082 -19.223 10.559 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.664 -18.119 9.264 1.00 0.00 H new ATOM 726 N THR A 47 10.065 -17.201 8.716 1.00 0.00 N ATOM 727 CA THR A 47 11.397 -17.033 8.142 1.00 0.00 C ATOM 728 C THR A 47 11.412 -15.882 7.137 1.00 0.00 C ATOM 729 O THR A 47 11.647 -16.076 5.945 1.00 0.00 O ATOM 730 CB THR A 47 11.876 -18.390 7.591 1.00 0.00 C ATOM 731 OG1 THR A 47 13.151 -18.287 7.005 1.00 0.00 O ATOM 732 CG2 THR A 47 10.950 -19.066 6.596 1.00 0.00 C ATOM 0 H THR A 47 9.322 -16.721 8.208 1.00 0.00 H new ATOM 0 HA THR A 47 12.120 -16.737 8.902 1.00 0.00 H new ATOM 0 HB THR A 47 11.894 -19.022 8.479 1.00 0.00 H new ATOM 0 HG1 THR A 47 13.135 -17.601 6.305 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.388 -20.012 6.276 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.985 -19.253 7.067 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.812 -18.419 5.730 1.00 0.00 H new ATOM 740 N ASN A 48 11.117 -14.671 7.614 1.00 0.00 N ATOM 741 CA ASN A 48 11.034 -13.458 6.796 1.00 0.00 C ATOM 742 C ASN A 48 10.018 -13.541 5.645 1.00 0.00 C ATOM 743 O ASN A 48 10.007 -12.659 4.790 1.00 0.00 O ATOM 744 CB ASN A 48 12.442 -13.064 6.296 1.00 0.00 C ATOM 745 CG ASN A 48 12.726 -11.585 6.492 1.00 0.00 C ATOM 746 OD1 ASN A 48 12.188 -10.716 5.818 1.00 0.00 O ATOM 747 ND2 ASN A 48 13.597 -11.265 7.431 1.00 0.00 N ATOM 0 H ASN A 48 10.925 -14.502 8.601 1.00 0.00 H new ATOM 0 HA ASN A 48 10.648 -12.670 7.442 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.192 -13.650 6.827 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.533 -13.313 5.239 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.827 -10.286 7.601 1.00 0.00 H new ATOM 0 HD22 ASN A 48 14.040 -11.997 7.987 1.00 0.00 H new ATOM 754 N LYS A 49 9.139 -14.556 5.608 1.00 0.00 N ATOM 755 CA LYS A 49 8.034 -14.622 4.654 1.00 0.00 C ATOM 756 C LYS A 49 7.178 -13.375 4.771 1.00 0.00 C ATOM 757 O LYS A 49 7.001 -12.874 5.879 1.00 0.00 O ATOM 758 CB LYS A 49 7.126 -15.838 4.900 1.00 0.00 C ATOM 759 CG LYS A 49 7.532 -17.064 4.087 1.00 0.00 C ATOM 760 CD LYS A 49 8.448 -18.051 4.810 1.00 0.00 C ATOM 761 CE LYS A 49 7.880 -19.473 4.780 1.00 0.00 C ATOM 762 NZ LYS A 49 6.573 -19.608 5.465 1.00 0.00 N ATOM 0 H LYS A 49 9.180 -15.353 6.243 1.00 0.00 H new ATOM 0 HA LYS A 49 8.478 -14.707 3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.146 -16.090 5.960 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.098 -15.571 4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.629 -17.591 3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.032 -16.728 3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.433 -18.042 4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.582 -17.734 5.844 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.771 -19.789 3.743 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.596 -20.150 5.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.695 -20.156 6.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.203 -18.664 5.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.902 -20.099 4.840 1.00 0.00 H new ATOM 776 N SER A 50 6.543 -12.951 3.689 1.00 0.00 N ATOM 777 CA SER A 50 5.440 -12.009 3.743 1.00 0.00 C ATOM 778 C SER A 50 4.167 -12.735 4.213 1.00 0.00 C ATOM 779 O SER A 50 3.881 -13.855 3.781 1.00 0.00 O ATOM 780 CB SER A 50 5.212 -11.397 2.360 1.00 0.00 C ATOM 781 OG SER A 50 6.323 -11.500 1.480 1.00 0.00 O ATOM 0 H SER A 50 6.781 -13.254 2.744 1.00 0.00 H new ATOM 0 HA SER A 50 5.679 -11.212 4.447 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.353 -11.883 1.898 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.956 -10.344 2.480 1.00 0.00 H new ATOM 0 HG SER A 50 6.772 -10.631 1.416 1.00 0.00 H new ATOM 787 N ARG A 51 3.348 -12.092 5.052 1.00 0.00 N ATOM 788 CA ARG A 51 2.037 -12.610 5.468 1.00 0.00 C ATOM 789 C ARG A 51 0.975 -12.503 4.370 1.00 0.00 C ATOM 790 O ARG A 51 -0.107 -13.063 4.539 1.00 0.00 O ATOM 791 CB ARG A 51 1.559 -11.898 6.747 1.00 0.00 C ATOM 792 CG ARG A 51 2.452 -12.313 7.927 1.00 0.00 C ATOM 793 CD ARG A 51 2.284 -11.477 9.197 1.00 0.00 C ATOM 794 NE ARG A 51 0.947 -11.612 9.790 1.00 0.00 N ATOM 795 CZ ARG A 51 0.390 -10.720 10.610 1.00 0.00 C ATOM 796 NH1 ARG A 51 1.105 -9.729 11.139 1.00 0.00 N ATOM 797 NH2 ARG A 51 -0.908 -10.817 10.855 1.00 0.00 N ATOM 0 H ARG A 51 3.577 -11.189 5.466 1.00 0.00 H new ATOM 0 HA ARG A 51 2.171 -13.672 5.672 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.597 -10.817 6.611 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.521 -12.157 6.954 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.247 -13.356 8.168 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.494 -12.258 7.610 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.034 -11.779 9.928 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.470 -10.428 8.964 1.00 0.00 H new ATOM 0 HE ARG A 51 0.407 -12.446 9.559 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.097 -9.642 10.919 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.660 -9.057 11.764 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.455 -11.560 10.420 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.361 -10.148 11.478 1.00 0.00 H new ATOM 811 N GLY A 52 1.257 -11.824 3.258 1.00 0.00 N ATOM 812 CA GLY A 52 0.346 -11.693 2.131 1.00 0.00 C ATOM 813 C GLY A 52 -0.479 -10.405 2.188 1.00 0.00 C ATOM 814 O GLY A 52 -1.403 -10.247 1.398 1.00 0.00 O ATOM 0 H GLY A 52 2.144 -11.341 3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.917 -11.714 1.203 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.327 -12.550 2.111 1.00 0.00 H new ATOM 818 N PHE A 53 -0.176 -9.456 3.076 1.00 0.00 N ATOM 819 CA PHE A 53 -0.830 -8.153 3.146 1.00 0.00 C ATOM 820 C PHE A 53 0.230 -7.124 3.533 1.00 0.00 C ATOM 821 O PHE A 53 1.237 -7.487 4.148 1.00 0.00 O ATOM 822 CB PHE A 53 -2.018 -8.209 4.122 1.00 0.00 C ATOM 823 CG PHE A 53 -1.679 -8.157 5.597 1.00 0.00 C ATOM 824 CD1 PHE A 53 -1.094 -9.269 6.226 1.00 0.00 C ATOM 825 CD2 PHE A 53 -1.970 -7.006 6.351 1.00 0.00 C ATOM 826 CE1 PHE A 53 -0.760 -9.208 7.588 1.00 0.00 C ATOM 827 CE2 PHE A 53 -1.658 -6.956 7.719 1.00 0.00 C ATOM 828 CZ PHE A 53 -1.034 -8.052 8.336 1.00 0.00 C ATOM 0 H PHE A 53 0.549 -9.578 3.783 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.253 -7.861 2.185 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.686 -7.378 3.895 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.574 -9.127 3.931 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.902 -10.170 5.662 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.436 -6.156 5.875 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.289 -10.056 8.064 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.898 -6.075 8.296 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.766 -8.006 9.381 1.00 0.00 H new ATOM 838 N ALA A 54 0.067 -5.874 3.107 1.00 0.00 N ATOM 839 CA ALA A 54 1.074 -4.838 3.303 1.00 0.00 C ATOM 840 C ALA A 54 0.487 -3.445 3.119 1.00 0.00 C ATOM 841 O ALA A 54 -0.661 -3.279 2.706 1.00 0.00 O ATOM 842 CB ALA A 54 2.216 -5.038 2.303 1.00 0.00 C ATOM 0 H ALA A 54 -0.767 -5.552 2.616 1.00 0.00 H new ATOM 0 HA ALA A 54 1.445 -4.921 4.324 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.968 -4.263 2.450 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.668 -6.017 2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.825 -4.976 1.287 1.00 0.00 H new ATOM 848 N PHE A 55 1.310 -2.433 3.355 1.00 0.00 N ATOM 849 CA PHE A 55 0.936 -1.039 3.355 1.00 0.00 C ATOM 850 C PHE A 55 2.042 -0.226 2.747 1.00 0.00 C ATOM 851 O PHE A 55 3.225 -0.392 3.036 1.00 0.00 O ATOM 852 CB PHE A 55 0.570 -0.659 4.806 1.00 0.00 C ATOM 853 CG PHE A 55 0.736 0.797 5.185 1.00 0.00 C ATOM 854 CD1 PHE A 55 0.207 1.817 4.378 1.00 0.00 C ATOM 855 CD2 PHE A 55 1.514 1.130 6.311 1.00 0.00 C ATOM 856 CE1 PHE A 55 0.533 3.160 4.638 1.00 0.00 C ATOM 857 CE2 PHE A 55 1.817 2.471 6.586 1.00 0.00 C ATOM 858 CZ PHE A 55 1.347 3.481 5.737 1.00 0.00 C ATOM 0 H PHE A 55 2.299 -2.575 3.560 1.00 0.00 H new ATOM 0 HA PHE A 55 0.061 -0.834 2.738 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.468 -0.941 4.981 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.181 -1.259 5.480 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.450 1.570 3.557 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.878 0.351 6.964 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.159 3.942 3.995 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.412 2.725 7.451 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.611 4.511 5.928 1.00 0.00 H new ATOM 868 N VAL A 56 1.610 0.654 1.857 1.00 0.00 N ATOM 869 CA VAL A 56 2.441 1.526 1.098 1.00 0.00 C ATOM 870 C VAL A 56 1.964 2.958 1.281 1.00 0.00 C ATOM 871 O VAL A 56 0.808 3.184 1.638 1.00 0.00 O ATOM 872 CB VAL A 56 2.409 1.069 -0.356 1.00 0.00 C ATOM 873 CG1 VAL A 56 3.026 -0.321 -0.585 1.00 0.00 C ATOM 874 CG2 VAL A 56 1.247 1.379 -1.276 1.00 0.00 C ATOM 0 H VAL A 56 0.619 0.772 1.647 1.00 0.00 H new ATOM 0 HA VAL A 56 3.477 1.493 1.437 1.00 0.00 H new ATOM 0 HB VAL A 56 3.077 1.841 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.966 -0.576 -1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.070 -0.311 -0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.480 -1.062 -0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.441 0.956 -2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.334 0.945 -0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.129 2.459 -1.361 1.00 0.00 H new ATOM 884 N THR A 57 2.828 3.920 1.003 1.00 0.00 N ATOM 885 CA THR A 57 2.561 5.317 1.267 1.00 0.00 C ATOM 886 C THR A 57 3.120 6.109 0.109 1.00 0.00 C ATOM 887 O THR A 57 4.348 6.163 -0.071 1.00 0.00 O ATOM 888 CB THR A 57 3.270 5.702 2.554 1.00 0.00 C ATOM 889 OG1 THR A 57 2.966 4.800 3.594 1.00 0.00 O ATOM 890 CG2 THR A 57 2.834 7.053 3.083 1.00 0.00 C ATOM 0 H THR A 57 3.742 3.748 0.584 1.00 0.00 H new ATOM 0 HA THR A 57 1.494 5.513 1.374 1.00 0.00 H new ATOM 0 HB THR A 57 4.328 5.704 2.293 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.006 4.602 3.586 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.374 7.275 4.004 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.051 7.822 2.341 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.763 7.036 3.285 1.00 0.00 H new ATOM 898 N PHE A 58 2.231 6.690 -0.692 1.00 0.00 N ATOM 899 CA PHE A 58 2.708 7.611 -1.691 1.00 0.00 C ATOM 900 C PHE A 58 2.891 8.979 -1.067 1.00 0.00 C ATOM 901 O PHE A 58 2.114 9.394 -0.212 1.00 0.00 O ATOM 902 CB PHE A 58 1.781 7.689 -2.895 1.00 0.00 C ATOM 903 CG PHE A 58 1.618 6.364 -3.594 1.00 0.00 C ATOM 904 CD1 PHE A 58 2.671 5.814 -4.354 1.00 0.00 C ATOM 905 CD2 PHE A 58 0.413 5.663 -3.445 1.00 0.00 C ATOM 906 CE1 PHE A 58 2.486 4.588 -5.008 1.00 0.00 C ATOM 907 CE2 PHE A 58 0.230 4.438 -4.098 1.00 0.00 C ATOM 908 CZ PHE A 58 1.254 3.929 -4.902 1.00 0.00 C ATOM 0 H PHE A 58 1.222 6.543 -0.666 1.00 0.00 H new ATOM 0 HA PHE A 58 3.666 7.243 -2.058 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.803 8.047 -2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.171 8.422 -3.601 1.00 0.00 H new ATOM 0 HD1 PHE A 58 3.614 6.334 -4.432 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.374 6.068 -2.826 1.00 0.00 H new ATOM 0 HE1 PHE A 58 3.287 4.155 -5.589 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.694 3.891 -3.982 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.093 3.013 -5.451 1.00 0.00 H new ATOM 918 N GLU A 59 3.893 9.687 -1.567 1.00 0.00 N ATOM 919 CA GLU A 59 4.315 11.006 -1.129 1.00 0.00 C ATOM 920 C GLU A 59 3.176 12.031 -1.178 1.00 0.00 C ATOM 921 O GLU A 59 3.121 12.931 -0.333 1.00 0.00 O ATOM 922 CB GLU A 59 5.530 11.344 -1.995 1.00 0.00 C ATOM 923 CG GLU A 59 6.217 12.675 -1.695 1.00 0.00 C ATOM 924 CD GLU A 59 5.760 13.792 -2.635 1.00 0.00 C ATOM 925 OE1 GLU A 59 4.545 14.022 -2.816 1.00 0.00 O ATOM 926 OE2 GLU A 59 6.621 14.528 -3.166 1.00 0.00 O ATOM 0 H GLU A 59 4.465 9.334 -2.334 1.00 0.00 H new ATOM 0 HA GLU A 59 4.595 11.028 -0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.264 10.546 -1.884 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.218 11.346 -3.039 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.010 12.964 -0.665 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.297 12.551 -1.780 1.00 0.00 H new ATOM 933 N SER A 60 2.223 11.865 -2.100 1.00 0.00 N ATOM 934 CA SER A 60 1.033 12.691 -2.178 1.00 0.00 C ATOM 935 C SER A 60 -0.229 11.829 -2.294 1.00 0.00 C ATOM 936 O SER A 60 -0.246 10.834 -3.023 1.00 0.00 O ATOM 937 CB SER A 60 1.169 13.612 -3.387 1.00 0.00 C ATOM 938 OG SER A 60 2.054 14.673 -3.096 1.00 0.00 O ATOM 0 H SER A 60 2.265 11.142 -2.818 1.00 0.00 H new ATOM 0 HA SER A 60 0.937 13.282 -1.267 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.536 13.047 -4.244 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.192 14.009 -3.662 1.00 0.00 H new ATOM 0 HG SER A 60 2.968 14.326 -3.024 1.00 0.00 H new ATOM 944 N PRO A 61 -1.356 12.245 -1.690 1.00 0.00 N ATOM 945 CA PRO A 61 -2.624 11.552 -1.836 1.00 0.00 C ATOM 946 C PRO A 61 -3.183 11.667 -3.258 1.00 0.00 C ATOM 947 O PRO A 61 -4.053 10.872 -3.621 1.00 0.00 O ATOM 948 CB PRO A 61 -3.555 12.164 -0.784 1.00 0.00 C ATOM 949 CG PRO A 61 -3.016 13.583 -0.634 1.00 0.00 C ATOM 950 CD PRO A 61 -1.511 13.405 -0.828 1.00 0.00 C ATOM 0 HA PRO A 61 -2.512 10.479 -1.677 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.594 12.160 -1.113 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.516 11.616 0.157 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.441 14.256 -1.378 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.249 14.001 0.345 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.068 14.291 -1.282 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.009 13.252 0.127 1.00 0.00 H new ATOM 958 N ALA A 62 -2.689 12.603 -4.080 1.00 0.00 N ATOM 959 CA ALA A 62 -3.089 12.712 -5.476 1.00 0.00 C ATOM 960 C ALA A 62 -2.474 11.635 -6.368 1.00 0.00 C ATOM 961 O ALA A 62 -2.999 11.385 -7.447 1.00 0.00 O ATOM 962 CB ALA A 62 -2.758 14.111 -6.007 1.00 0.00 C ATOM 0 H ALA A 62 -2.003 13.300 -3.790 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.167 12.552 -5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.060 14.185 -7.052 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.293 14.859 -5.421 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.685 14.286 -5.926 1.00 0.00 H new ATOM 968 N ASP A 63 -1.413 10.966 -5.924 1.00 0.00 N ATOM 969 CA ASP A 63 -0.932 9.718 -6.518 1.00 0.00 C ATOM 970 C ASP A 63 -1.786 8.570 -5.966 1.00 0.00 C ATOM 971 O ASP A 63 -2.327 7.749 -6.713 1.00 0.00 O ATOM 972 CB ASP A 63 0.559 9.609 -6.148 1.00 0.00 C ATOM 973 CG ASP A 63 1.324 8.371 -6.622 1.00 0.00 C ATOM 974 OD1 ASP A 63 0.747 7.512 -7.316 1.00 0.00 O ATOM 975 OD2 ASP A 63 2.538 8.336 -6.309 1.00 0.00 O ATOM 0 H ASP A 63 -0.854 11.279 -5.130 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.021 9.682 -7.604 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.067 10.488 -6.544 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.639 9.656 -5.062 1.00 0.00 H new ATOM 980 N ALA A 64 -2.073 8.612 -4.661 1.00 0.00 N ATOM 981 CA ALA A 64 -2.750 7.540 -3.928 1.00 0.00 C ATOM 982 C ALA A 64 -4.256 7.439 -4.214 1.00 0.00 C ATOM 983 O ALA A 64 -4.969 6.706 -3.523 1.00 0.00 O ATOM 984 CB ALA A 64 -2.531 7.736 -2.429 1.00 0.00 C ATOM 0 H ALA A 64 -1.835 9.411 -4.073 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.309 6.605 -4.275 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.034 6.939 -1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.463 7.709 -2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.939 8.700 -2.125 1.00 0.00 H new ATOM 990 N LYS A 65 -4.786 8.212 -5.164 1.00 0.00 N ATOM 991 CA LYS A 65 -6.132 8.001 -5.695 1.00 0.00 C ATOM 992 C LYS A 65 -6.095 7.061 -6.892 1.00 0.00 C ATOM 993 O LYS A 65 -6.962 6.193 -7.021 1.00 0.00 O ATOM 994 CB LYS A 65 -6.804 9.343 -6.040 1.00 0.00 C ATOM 995 CG LYS A 65 -6.076 10.177 -7.094 1.00 0.00 C ATOM 996 CD LYS A 65 -6.690 11.569 -7.294 1.00 0.00 C ATOM 997 CE LYS A 65 -6.021 12.287 -8.480 1.00 0.00 C ATOM 998 NZ LYS A 65 -6.453 11.754 -9.786 1.00 0.00 N ATOM 0 H LYS A 65 -4.294 9.000 -5.585 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.738 7.526 -4.923 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.817 9.146 -6.391 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.892 9.933 -5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.031 10.286 -6.803 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.088 9.642 -8.043 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.761 11.478 -7.473 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.568 12.161 -6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.252 13.351 -8.432 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.939 12.192 -8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.183 12.419 -10.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.996 10.835 -9.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.486 11.632 -9.787 1.00 0.00 H new ATOM 1012 N ASP A 66 -5.096 7.244 -7.752 1.00 0.00 N ATOM 1013 CA ASP A 66 -5.030 6.612 -9.056 1.00 0.00 C ATOM 1014 C ASP A 66 -4.285 5.309 -9.004 1.00 0.00 C ATOM 1015 O ASP A 66 -4.618 4.382 -9.743 1.00 0.00 O ATOM 1016 CB ASP A 66 -4.325 7.521 -10.063 1.00 0.00 C ATOM 1017 CG ASP A 66 -5.439 8.104 -10.922 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -5.970 7.368 -11.786 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -5.936 9.190 -10.548 1.00 0.00 O ATOM 0 H ASP A 66 -4.298 7.848 -7.553 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.059 6.428 -9.366 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.764 8.308 -9.558 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.613 6.960 -10.669 1.00 0.00 H new ATOM 1024 N ALA A 67 -3.295 5.220 -8.120 1.00 0.00 N ATOM 1025 CA ALA A 67 -2.597 3.974 -7.929 1.00 0.00 C ATOM 1026 C ALA A 67 -3.543 2.928 -7.312 1.00 0.00 C ATOM 1027 O ALA A 67 -3.320 1.731 -7.461 1.00 0.00 O ATOM 1028 CB ALA A 67 -1.373 4.242 -7.053 1.00 0.00 C ATOM 0 H ALA A 67 -2.969 5.990 -7.537 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.259 3.566 -8.882 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.828 3.311 -6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.723 4.964 -7.547 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.694 4.642 -6.091 1.00 0.00 H new ATOM 1034 N ALA A 68 -4.612 3.366 -6.631 1.00 0.00 N ATOM 1035 CA ALA A 68 -5.664 2.497 -6.112 1.00 0.00 C ATOM 1036 C ALA A 68 -6.712 2.133 -7.184 1.00 0.00 C ATOM 1037 O ALA A 68 -7.574 1.302 -6.909 1.00 0.00 O ATOM 1038 CB ALA A 68 -6.345 3.206 -4.931 1.00 0.00 C ATOM 0 H ALA A 68 -4.767 4.353 -6.425 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.206 1.562 -5.791 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.135 2.570 -4.531 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.609 3.404 -4.152 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.775 4.148 -5.271 1.00 0.00 H new ATOM 1044 N ARG A 69 -6.712 2.764 -8.373 1.00 0.00 N ATOM 1045 CA ARG A 69 -7.614 2.379 -9.462 1.00 0.00 C ATOM 1046 C ARG A 69 -7.102 1.082 -10.069 1.00 0.00 C ATOM 1047 O ARG A 69 -7.768 0.054 -9.998 1.00 0.00 O ATOM 1048 CB ARG A 69 -7.686 3.434 -10.586 1.00 0.00 C ATOM 1049 CG ARG A 69 -8.540 4.680 -10.365 1.00 0.00 C ATOM 1050 CD ARG A 69 -10.034 4.377 -10.543 1.00 0.00 C ATOM 1051 NE ARG A 69 -10.800 5.587 -10.887 1.00 0.00 N ATOM 1052 CZ ARG A 69 -12.089 5.611 -11.252 1.00 0.00 C ATOM 1053 NH1 ARG A 69 -12.795 4.488 -11.343 1.00 0.00 N ATOM 1054 NH2 ARG A 69 -12.682 6.766 -11.521 1.00 0.00 N ATOM 0 H ARG A 69 -6.094 3.544 -8.599 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.613 2.276 -9.038 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.668 3.763 -10.797 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.052 2.937 -11.484 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.364 5.070 -9.363 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.239 5.458 -11.067 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.163 3.630 -11.327 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.430 3.946 -9.623 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.309 6.480 -10.844 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -12.356 3.591 -11.134 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -13.775 4.523 -11.622 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.157 7.638 -11.450 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -13.663 6.783 -11.799 1.00 0.00 H new ATOM 1068 N ASP A 70 -5.978 1.176 -10.775 1.00 0.00 N ATOM 1069 CA ASP A 70 -5.604 0.198 -11.784 1.00 0.00 C ATOM 1070 C ASP A 70 -5.167 -1.095 -11.107 1.00 0.00 C ATOM 1071 O ASP A 70 -5.839 -2.123 -11.200 1.00 0.00 O ATOM 1072 CB ASP A 70 -4.513 0.784 -12.682 1.00 0.00 C ATOM 1073 CG ASP A 70 -4.182 -0.190 -13.804 1.00 0.00 C ATOM 1074 OD1 ASP A 70 -5.010 -0.340 -14.731 1.00 0.00 O ATOM 1075 OD2 ASP A 70 -3.076 -0.775 -13.783 1.00 0.00 O ATOM 0 H ASP A 70 -5.304 1.933 -10.661 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.458 -0.040 -12.418 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.846 1.734 -13.100 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.619 0.991 -12.094 1.00 0.00 H new ATOM 1080 N MET A 71 -4.064 -1.005 -10.365 1.00 0.00 N ATOM 1081 CA MET A 71 -3.599 -1.972 -9.401 1.00 0.00 C ATOM 1082 C MET A 71 -4.563 -1.986 -8.208 1.00 0.00 C ATOM 1083 O MET A 71 -4.271 -1.415 -7.169 1.00 0.00 O ATOM 1084 CB MET A 71 -2.187 -1.531 -8.984 1.00 0.00 C ATOM 1085 CG MET A 71 -1.563 -2.412 -7.916 1.00 0.00 C ATOM 1086 SD MET A 71 0.225 -2.555 -8.114 1.00 0.00 S ATOM 1087 CE MET A 71 0.184 -4.276 -8.608 1.00 0.00 C ATOM 0 H MET A 71 -3.440 -0.201 -10.434 1.00 0.00 H new ATOM 0 HA MET A 71 -3.565 -2.983 -9.807 1.00 0.00 H new ATOM 0 HB2 MET A 71 -1.542 -1.529 -9.863 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.230 -0.505 -8.617 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.787 -2.001 -6.931 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.012 -3.404 -7.957 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.879 -4.434 -9.433 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.473 -4.904 -7.765 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.824 -4.539 -8.927 1.00 0.00 H new ATOM 1097 N ASN A 72 -5.693 -2.667 -8.337 1.00 0.00 N ATOM 1098 CA ASN A 72 -6.459 -3.328 -7.297 1.00 0.00 C ATOM 1099 C ASN A 72 -6.974 -4.627 -7.930 1.00 0.00 C ATOM 1100 O ASN A 72 -7.105 -4.709 -9.153 1.00 0.00 O ATOM 1101 CB ASN A 72 -7.617 -2.435 -6.822 1.00 0.00 C ATOM 1102 CG ASN A 72 -8.690 -3.266 -6.143 1.00 0.00 C ATOM 1103 OD1 ASN A 72 -8.430 -3.971 -5.169 1.00 0.00 O ATOM 1104 ND2 ASN A 72 -9.840 -3.353 -6.776 1.00 0.00 N ATOM 0 H ASN A 72 -6.132 -2.779 -9.251 1.00 0.00 H new ATOM 0 HA ASN A 72 -5.855 -3.532 -6.413 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.241 -1.681 -6.130 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.045 -1.903 -7.672 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.546 -4.019 -6.462 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.026 -2.754 -7.581 1.00 0.00 H new ATOM 1111 N GLY A 73 -7.267 -5.639 -7.111 1.00 0.00 N ATOM 1112 CA GLY A 73 -8.131 -6.741 -7.499 1.00 0.00 C ATOM 1113 C GLY A 73 -7.608 -7.543 -8.685 1.00 0.00 C ATOM 1114 O GLY A 73 -8.405 -8.009 -9.507 1.00 0.00 O ATOM 0 H GLY A 73 -6.908 -5.712 -6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.257 -7.409 -6.647 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.118 -6.348 -7.744 1.00 0.00 H new ATOM 1118 N LYS A 74 -6.287 -7.648 -8.842 1.00 0.00 N ATOM 1119 CA LYS A 74 -5.683 -8.250 -10.019 1.00 0.00 C ATOM 1120 C LYS A 74 -4.785 -9.401 -9.627 1.00 0.00 C ATOM 1121 O LYS A 74 -4.492 -9.622 -8.451 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.959 -7.162 -10.824 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.796 -6.519 -10.058 1.00 0.00 C ATOM 1124 CD LYS A 74 -2.963 -5.583 -10.939 1.00 0.00 C ATOM 1125 CE LYS A 74 -2.090 -6.430 -11.869 1.00 0.00 C ATOM 1126 NZ LYS A 74 -1.231 -5.647 -12.776 1.00 0.00 N ATOM 0 H LYS A 74 -5.611 -7.316 -8.154 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.452 -8.677 -10.663 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.581 -7.595 -11.750 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.674 -6.388 -11.103 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.189 -5.960 -9.209 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.153 -7.302 -9.655 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.616 -4.933 -11.522 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.340 -4.937 -10.320 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.460 -7.081 -11.263 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.735 -7.075 -12.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.674 -6.293 -13.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.824 -5.044 -13.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.589 -5.050 -12.217 1.00 0.00 H new ATOM 1140 N SER A 75 -4.315 -10.109 -10.639 1.00 0.00 N ATOM 1141 CA SER A 75 -3.362 -11.166 -10.442 1.00 0.00 C ATOM 1142 C SER A 75 -1.981 -10.539 -10.366 1.00 0.00 C ATOM 1143 O SER A 75 -1.659 -9.594 -11.092 1.00 0.00 O ATOM 1144 CB SER A 75 -3.568 -12.241 -11.508 1.00 0.00 C ATOM 1145 OG SER A 75 -3.699 -11.781 -12.846 1.00 0.00 O ATOM 0 H SER A 75 -4.586 -9.962 -11.611 1.00 0.00 H new ATOM 0 HA SER A 75 -3.495 -11.700 -9.501 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.726 -12.932 -11.464 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.462 -12.810 -11.252 1.00 0.00 H new ATOM 0 HG SER A 75 -3.824 -12.547 -13.444 1.00 0.00 H new ATOM 1151 N LEU A 76 -1.168 -11.077 -9.468 1.00 0.00 N ATOM 1152 CA LEU A 76 0.230 -10.732 -9.319 1.00 0.00 C ATOM 1153 C LEU A 76 0.937 -12.059 -9.106 1.00 0.00 C ATOM 1154 O LEU A 76 0.830 -12.655 -8.036 1.00 0.00 O ATOM 1155 CB LEU A 76 0.420 -9.719 -8.170 1.00 0.00 C ATOM 1156 CG LEU A 76 1.644 -8.810 -8.397 1.00 0.00 C ATOM 1157 CD1 LEU A 76 1.310 -7.720 -9.428 1.00 0.00 C ATOM 1158 CD2 LEU A 76 2.060 -8.125 -7.094 1.00 0.00 C ATOM 0 H LEU A 76 -1.477 -11.787 -8.805 1.00 0.00 H new ATOM 0 HA LEU A 76 0.649 -10.225 -10.188 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.475 -9.104 -8.077 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.537 -10.256 -7.229 1.00 0.00 H new ATOM 0 HG LEU A 76 2.460 -9.436 -8.759 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.182 -7.084 -9.580 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.031 -8.186 -10.373 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.480 -7.116 -9.063 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.926 -7.489 -7.278 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.235 -7.517 -6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.316 -8.881 -6.351 1.00 0.00 H new ATOM 1170 N ASP A 77 1.528 -12.599 -10.172 1.00 0.00 N ATOM 1171 CA ASP A 77 2.329 -13.831 -10.194 1.00 0.00 C ATOM 1172 C ASP A 77 1.522 -15.097 -9.904 1.00 0.00 C ATOM 1173 O ASP A 77 2.082 -16.193 -9.866 1.00 0.00 O ATOM 1174 CB ASP A 77 3.568 -13.740 -9.282 1.00 0.00 C ATOM 1175 CG ASP A 77 4.400 -12.498 -9.570 1.00 0.00 C ATOM 1176 OD1 ASP A 77 5.198 -12.505 -10.540 1.00 0.00 O ATOM 1177 OD2 ASP A 77 4.228 -11.501 -8.839 1.00 0.00 O ATOM 0 H ASP A 77 1.459 -12.169 -11.094 1.00 0.00 H new ATOM 0 HA ASP A 77 2.676 -13.921 -11.223 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.250 -13.729 -8.239 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.184 -14.629 -9.418 1.00 0.00 H new ATOM 1182 N GLY A 78 0.203 -14.977 -9.734 1.00 0.00 N ATOM 1183 CA GLY A 78 -0.691 -16.069 -9.371 1.00 0.00 C ATOM 1184 C GLY A 78 -1.237 -15.959 -7.954 1.00 0.00 C ATOM 1185 O GLY A 78 -1.859 -16.914 -7.484 1.00 0.00 O ATOM 0 H GLY A 78 -0.283 -14.088 -9.850 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.525 -16.094 -10.073 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.158 -17.014 -9.475 1.00 0.00 H new ATOM 1189 N LYS A 79 -1.051 -14.821 -7.287 1.00 0.00 N ATOM 1190 CA LYS A 79 -1.829 -14.455 -6.113 1.00 0.00 C ATOM 1191 C LYS A 79 -2.830 -13.408 -6.574 1.00 0.00 C ATOM 1192 O LYS A 79 -2.660 -12.837 -7.659 1.00 0.00 O ATOM 1193 CB LYS A 79 -0.924 -13.939 -4.987 1.00 0.00 C ATOM 1194 CG LYS A 79 0.346 -14.768 -4.745 1.00 0.00 C ATOM 1195 CD LYS A 79 0.114 -16.257 -4.457 1.00 0.00 C ATOM 1196 CE LYS A 79 1.477 -16.957 -4.286 1.00 0.00 C ATOM 1197 NZ LYS A 79 1.399 -18.434 -4.360 1.00 0.00 N ATOM 0 H LYS A 79 -0.352 -14.126 -7.550 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.348 -15.317 -5.694 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.633 -12.914 -5.216 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.501 -13.907 -4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.989 -14.680 -5.621 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.889 -14.333 -3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.486 -16.376 -3.555 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.444 -16.715 -5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.159 -16.599 -5.057 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.904 -16.672 -3.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.349 -18.838 -4.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.773 -18.787 -3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.020 -18.716 -5.287 1.00 0.00 H new ATOM 1211 N ALA A 80 -3.887 -13.189 -5.801 1.00 0.00 N ATOM 1212 CA ALA A 80 -4.986 -12.296 -6.170 1.00 0.00 C ATOM 1213 C ALA A 80 -4.969 -11.103 -5.229 1.00 0.00 C ATOM 1214 O ALA A 80 -5.484 -11.197 -4.116 1.00 0.00 O ATOM 1215 CB ALA A 80 -6.325 -13.040 -6.138 1.00 0.00 C ATOM 0 H ALA A 80 -4.009 -13.630 -4.889 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.858 -11.940 -7.192 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.128 -12.357 -6.416 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.296 -13.871 -6.842 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.505 -13.422 -5.133 1.00 0.00 H new ATOM 1221 N ILE A 81 -4.320 -10.015 -5.633 1.00 0.00 N ATOM 1222 CA ILE A 81 -4.118 -8.885 -4.743 1.00 0.00 C ATOM 1223 C ILE A 81 -5.425 -8.109 -4.527 1.00 0.00 C ATOM 1224 O ILE A 81 -6.405 -8.254 -5.264 1.00 0.00 O ATOM 1225 CB ILE A 81 -2.950 -7.990 -5.204 1.00 0.00 C ATOM 1226 CG1 ILE A 81 -3.235 -7.248 -6.525 1.00 0.00 C ATOM 1227 CG2 ILE A 81 -1.655 -8.817 -5.311 1.00 0.00 C ATOM 1228 CD1 ILE A 81 -2.316 -6.045 -6.702 1.00 0.00 C ATOM 0 H ILE A 81 -3.928 -9.895 -6.567 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.824 -9.274 -3.768 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.827 -7.219 -4.443 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.105 -7.933 -7.363 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.274 -6.919 -6.541 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.838 -8.173 -5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.414 -9.243 -4.337 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.795 -9.620 -6.034 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.546 -5.547 -7.644 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.466 -5.348 -5.877 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.278 -6.378 -6.712 1.00 0.00 H new ATOM 1240 N LYS A 82 -5.404 -7.236 -3.528 1.00 0.00 N ATOM 1241 CA LYS A 82 -6.431 -6.260 -3.171 1.00 0.00 C ATOM 1242 C LYS A 82 -5.706 -4.950 -2.921 1.00 0.00 C ATOM 1243 O LYS A 82 -4.621 -5.002 -2.343 1.00 0.00 O ATOM 1244 CB LYS A 82 -7.100 -6.691 -1.859 1.00 0.00 C ATOM 1245 CG LYS A 82 -8.000 -7.923 -1.984 1.00 0.00 C ATOM 1246 CD LYS A 82 -9.307 -7.554 -2.682 1.00 0.00 C ATOM 1247 CE LYS A 82 -10.294 -8.707 -2.521 1.00 0.00 C ATOM 1248 NZ LYS A 82 -11.658 -8.286 -2.883 1.00 0.00 N ATOM 0 H LYS A 82 -4.606 -7.187 -2.895 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.184 -6.173 -3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.325 -6.895 -1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.693 -5.860 -1.477 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.486 -8.702 -2.547 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.210 -8.331 -0.995 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.720 -6.641 -2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.127 -7.356 -3.739 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.988 -9.543 -3.150 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.280 -9.062 -1.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.311 -9.087 -2.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.955 -7.503 -2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.672 -7.970 -3.874 1.00 0.00 H new ATOM 1262 N VAL A 83 -6.251 -3.808 -3.333 1.00 0.00 N ATOM 1263 CA VAL A 83 -5.692 -2.499 -3.030 1.00 0.00 C ATOM 1264 C VAL A 83 -6.886 -1.613 -2.694 1.00 0.00 C ATOM 1265 O VAL A 83 -7.776 -1.434 -3.520 1.00 0.00 O ATOM 1266 CB VAL A 83 -4.852 -1.994 -4.217 1.00 0.00 C ATOM 1267 CG1 VAL A 83 -4.318 -0.582 -4.035 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -3.670 -2.941 -4.516 1.00 0.00 C ATOM 0 H VAL A 83 -7.103 -3.768 -3.893 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.001 -2.510 -2.187 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.543 -1.978 -5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.737 -0.297 -4.912 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.152 0.109 -3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.682 -0.545 -3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.098 -2.554 -5.360 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.025 -3.006 -3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.051 -3.933 -4.760 1.00 0.00 H new ATOM 1278 N GLU A 84 -6.929 -1.097 -1.470 1.00 0.00 N ATOM 1279 CA GLU A 84 -7.988 -0.230 -0.976 1.00 0.00 C ATOM 1280 C GLU A 84 -7.331 0.973 -0.294 1.00 0.00 C ATOM 1281 O GLU A 84 -6.113 1.027 -0.092 1.00 0.00 O ATOM 1282 CB GLU A 84 -8.871 -0.980 0.036 1.00 0.00 C ATOM 1283 CG GLU A 84 -9.485 -2.310 -0.439 1.00 0.00 C ATOM 1284 CD GLU A 84 -10.703 -2.167 -1.355 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -11.300 -1.074 -1.452 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -11.211 -3.205 -1.843 1.00 0.00 O ATOM 0 H GLU A 84 -6.205 -1.277 -0.775 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.620 0.093 -1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.275 -1.179 0.927 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.683 -0.318 0.337 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.719 -2.880 -0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.773 -2.893 0.436 1.00 0.00 H new ATOM 1293 N GLN A 85 -8.136 1.944 0.124 1.00 0.00 N ATOM 1294 CA GLN A 85 -7.655 3.182 0.722 1.00 0.00 C ATOM 1295 C GLN A 85 -7.885 3.120 2.230 1.00 0.00 C ATOM 1296 O GLN A 85 -9.029 2.996 2.670 1.00 0.00 O ATOM 1297 CB GLN A 85 -8.366 4.382 0.087 1.00 0.00 C ATOM 1298 CG GLN A 85 -8.060 4.534 -1.413 1.00 0.00 C ATOM 1299 CD GLN A 85 -8.926 5.598 -2.078 1.00 0.00 C ATOM 1300 OE1 GLN A 85 -9.242 5.519 -3.253 1.00 0.00 O ATOM 1301 NE2 GLN A 85 -9.260 6.681 -1.391 1.00 0.00 N ATOM 0 H GLN A 85 -9.152 1.892 0.056 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.588 3.304 0.538 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.442 4.275 0.224 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.068 5.292 0.608 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.009 4.792 -1.542 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.217 3.578 -1.912 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.002 6.761 -0.407 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.775 7.435 -1.846 1.00 0.00 H new ATOM 1310 N ALA A 86 -6.814 3.234 3.022 1.00 0.00 N ATOM 1311 CA ALA A 86 -6.814 3.175 4.489 1.00 0.00 C ATOM 1312 C ALA A 86 -7.452 4.411 5.163 1.00 0.00 C ATOM 1313 O ALA A 86 -6.939 4.904 6.170 1.00 0.00 O ATOM 1314 CB ALA A 86 -5.367 2.977 4.961 1.00 0.00 C ATOM 0 H ALA A 86 -5.879 3.377 2.640 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.440 2.335 4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.343 2.930 6.050 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.974 2.048 4.549 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.756 3.812 4.620 1.00 0.00 H new ATOM 1320 N THR A 87 -8.520 4.971 4.600 1.00 0.00 N ATOM 1321 CA THR A 87 -9.166 6.186 5.075 1.00 0.00 C ATOM 1322 C THR A 87 -10.670 6.110 4.788 1.00 0.00 C ATOM 1323 O THR A 87 -11.168 5.120 4.237 1.00 0.00 O ATOM 1324 CB THR A 87 -8.455 7.397 4.442 1.00 0.00 C ATOM 1325 OG1 THR A 87 -8.757 8.607 5.097 1.00 0.00 O ATOM 1326 CG2 THR A 87 -8.806 7.563 2.964 1.00 0.00 C ATOM 0 H THR A 87 -8.972 4.577 3.775 1.00 0.00 H new ATOM 0 HA THR A 87 -9.078 6.301 6.155 1.00 0.00 H new ATOM 0 HB THR A 87 -7.391 7.184 4.549 1.00 0.00 H new ATOM 0 HG1 THR A 87 -8.281 9.343 4.659 1.00 0.00 H new ATOM 0 HG21 THR A 87 -8.282 8.429 2.561 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.506 6.670 2.416 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.881 7.709 2.860 1.00 0.00 H new