USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 530 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 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.16) USER MOD Set 1.2: A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc=-0.00479 K(o=-0.0048,f=-0.8) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -61:sc= 0.57 USER MOD Single : A 23 SER OG : rot 24:sc= 0.00763 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.331 K(o=-0.33,f=-1.9) USER MOD Single : A 27 MET CE :methyl 157:sc= -2.08! (180deg=-2.75!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -60:sc= -1.02! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00631) USER MOD Single : A 55 ASN : amide:sc= -2.82! K(o=-2.8!,f=-2) USER MOD Single : A 62 LYS NZ :NH3+ 164:sc= -0.0102 (180deg=-0.133) USER MOD Single : A 64 TYR OH : rot -140:sc= 0.226 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -116:sc= 0.426 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.155 K(o=-0.16,f=-2.5!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.00367 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.587 USER MOD ----------------------------------------------------------------- ATOM 142 N LEU A 13 7.685 -1.046 6.015 1.00 0.00 N ATOM 143 CA LEU A 13 6.764 0.085 5.999 1.00 0.00 C ATOM 144 C LEU A 13 6.005 0.189 7.318 1.00 0.00 C ATOM 145 O LEU A 13 5.968 -0.761 8.101 1.00 0.00 O ATOM 146 CB LEU A 13 5.776 -0.051 4.839 1.00 0.00 C ATOM 147 CG LEU A 13 6.322 0.365 3.472 1.00 0.00 C ATOM 148 CD1 LEU A 13 5.541 -0.314 2.357 1.00 0.00 C ATOM 149 CD2 LEU A 13 6.269 1.877 3.317 1.00 0.00 C ATOM 0 HA LEU A 13 7.349 0.995 5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.447 -1.089 4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.895 0.551 5.060 1.00 0.00 H new ATOM 0 HG LEU A 13 7.363 0.048 3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.943 -0.006 1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.628 -1.396 2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.491 -0.027 2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.661 2.156 2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.237 2.216 3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.871 2.344 4.096 1.00 0.00 H new ATOM 161 N HIS A 14 5.402 1.348 7.557 1.00 0.00 N ATOM 162 CA HIS A 14 4.643 1.577 8.781 1.00 0.00 C ATOM 163 C HIS A 14 3.289 2.208 8.471 1.00 0.00 C ATOM 164 O HIS A 14 3.109 2.832 7.425 1.00 0.00 O ATOM 165 CB HIS A 14 5.432 2.478 9.734 1.00 0.00 C ATOM 166 CG HIS A 14 5.188 2.176 11.180 1.00 0.00 C ATOM 167 ND1 HIS A 14 4.051 2.547 11.861 1.00 0.00 N ATOM 168 CD2 HIS A 14 5.966 1.520 12.079 1.00 0.00 C ATOM 169 CE1 HIS A 14 4.170 2.116 13.125 1.00 0.00 C ATOM 170 NE2 HIS A 14 5.314 1.486 13.309 1.00 0.00 N ATOM 0 H HIS A 14 5.424 2.144 6.919 1.00 0.00 H new ATOM 0 HA HIS A 14 4.474 0.613 9.260 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.496 2.373 9.523 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.170 3.518 9.539 1.00 0.00 H new ATOM 0 HD2 HIS A 14 6.936 1.093 11.873 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.426 2.265 13.893 1.00 0.00 H new ATOM 0 HE2 HIS A 14 5.651 1.062 14.173 1.00 0.00 H new ATOM 178 N GLU A 15 2.339 2.038 9.384 1.00 0.00 N ATOM 179 CA GLU A 15 1.001 2.590 9.207 1.00 0.00 C ATOM 180 C GLU A 15 1.033 4.114 9.240 1.00 0.00 C ATOM 181 O GLU A 15 1.242 4.719 10.293 1.00 0.00 O ATOM 182 CB GLU A 15 0.060 2.063 10.291 1.00 0.00 C ATOM 183 CG GLU A 15 -0.345 0.612 10.091 1.00 0.00 C ATOM 184 CD GLU A 15 -0.949 -0.002 11.338 1.00 0.00 C ATOM 185 OE1 GLU A 15 -2.005 0.488 11.790 1.00 0.00 O ATOM 186 OE2 GLU A 15 -0.365 -0.973 11.864 1.00 0.00 O ATOM 0 H GLU A 15 2.471 1.522 10.254 1.00 0.00 H new ATOM 0 HA GLU A 15 0.631 2.274 8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.544 2.166 11.262 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.837 2.682 10.314 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.064 0.549 9.274 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.529 0.033 9.792 1.00 0.00 H new ATOM 193 N GLY A 16 0.823 4.731 8.081 1.00 0.00 N ATOM 194 CA GLY A 16 0.832 6.180 7.998 1.00 0.00 C ATOM 195 C GLY A 16 2.085 6.715 7.335 1.00 0.00 C ATOM 196 O GLY A 16 2.532 7.821 7.637 1.00 0.00 O ATOM 0 H GLY A 16 0.647 4.253 7.197 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.042 6.514 7.439 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.748 6.599 9.001 1.00 0.00 H new ATOM 200 N SER A 17 2.654 5.928 6.427 1.00 0.00 N ATOM 201 CA SER A 17 3.864 6.329 5.719 1.00 0.00 C ATOM 202 C SER A 17 3.520 7.065 4.428 1.00 0.00 C ATOM 203 O SER A 17 2.388 7.003 3.948 1.00 0.00 O ATOM 204 CB SER A 17 4.726 5.105 5.406 1.00 0.00 C ATOM 205 OG SER A 17 6.105 5.404 5.536 1.00 0.00 O ATOM 0 H SER A 17 2.296 5.009 6.165 1.00 0.00 H new ATOM 0 HA SER A 17 4.425 7.005 6.364 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.463 4.289 6.080 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.520 4.761 4.393 1.00 0.00 H new ATOM 0 HG SER A 17 6.634 4.604 5.332 1.00 0.00 H new ATOM 211 N GLN A 18 4.507 7.761 3.871 1.00 0.00 N ATOM 212 CA GLN A 18 4.310 8.509 2.634 1.00 0.00 C ATOM 213 C GLN A 18 5.109 7.890 1.492 1.00 0.00 C ATOM 214 O GLN A 18 6.336 7.980 1.458 1.00 0.00 O ATOM 215 CB GLN A 18 4.723 9.969 2.827 1.00 0.00 C ATOM 216 CG GLN A 18 3.895 10.702 3.870 1.00 0.00 C ATOM 217 CD GLN A 18 2.407 10.621 3.595 1.00 0.00 C ATOM 218 OE1 GLN A 18 1.933 11.053 2.543 1.00 0.00 O ATOM 219 NE2 GLN A 18 1.659 10.066 4.542 1.00 0.00 N ATOM 0 H GLN A 18 5.450 7.822 4.256 1.00 0.00 H new ATOM 0 HA GLN A 18 3.251 8.468 2.377 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.773 10.006 3.117 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.637 10.491 1.874 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.102 10.282 4.854 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.199 11.748 3.900 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.093 9.721 5.398 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.650 9.985 4.413 1.00 0.00 H new ATOM 228 N VAL A 19 4.405 7.260 0.558 1.00 0.00 N ATOM 229 CA VAL A 19 5.047 6.624 -0.586 1.00 0.00 C ATOM 230 C VAL A 19 4.569 7.240 -1.897 1.00 0.00 C ATOM 231 O VAL A 19 3.590 7.986 -1.924 1.00 0.00 O ATOM 232 CB VAL A 19 4.775 5.109 -0.614 1.00 0.00 C ATOM 233 CG1 VAL A 19 5.407 4.429 0.591 1.00 0.00 C ATOM 234 CG2 VAL A 19 3.279 4.837 -0.664 1.00 0.00 C ATOM 0 H VAL A 19 3.389 7.176 0.571 1.00 0.00 H new ATOM 0 HA VAL A 19 6.119 6.790 -0.479 1.00 0.00 H new ATOM 0 HB VAL A 19 5.228 4.694 -1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.204 3.359 0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.484 4.594 0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.987 4.846 1.506 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.105 3.761 -0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.802 5.266 0.217 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.857 5.289 -1.562 1.00 0.00 H new ATOM 244 N LEU A 20 5.266 6.921 -2.983 1.00 0.00 N ATOM 245 CA LEU A 20 4.912 7.441 -4.299 1.00 0.00 C ATOM 246 C LEU A 20 4.887 6.325 -5.337 1.00 0.00 C ATOM 247 O LEU A 20 5.770 5.467 -5.361 1.00 0.00 O ATOM 248 CB LEU A 20 5.903 8.526 -4.724 1.00 0.00 C ATOM 249 CG LEU A 20 5.616 9.167 -6.083 1.00 0.00 C ATOM 250 CD1 LEU A 20 4.603 10.292 -5.940 1.00 0.00 C ATOM 251 CD2 LEU A 20 6.902 9.682 -6.711 1.00 0.00 C ATOM 0 H LEU A 20 6.079 6.305 -2.978 1.00 0.00 H new ATOM 0 HA LEU A 20 3.914 7.874 -4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.910 9.308 -3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.904 8.094 -4.747 1.00 0.00 H new ATOM 0 HG LEU A 20 5.193 8.407 -6.740 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.412 10.736 -6.917 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.673 9.895 -5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.997 11.053 -5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.679 10.135 -7.677 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.353 10.427 -6.056 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.596 8.853 -6.850 1.00 0.00 H new ATOM 263 N LEU A 21 3.870 6.341 -6.193 1.00 0.00 N ATOM 264 CA LEU A 21 3.731 5.329 -7.234 1.00 0.00 C ATOM 265 C LEU A 21 4.761 5.541 -8.338 1.00 0.00 C ATOM 266 O LEU A 21 5.208 6.662 -8.578 1.00 0.00 O ATOM 267 CB LEU A 21 2.320 5.366 -7.823 1.00 0.00 C ATOM 268 CG LEU A 21 1.187 5.350 -6.795 1.00 0.00 C ATOM 269 CD1 LEU A 21 -0.164 5.313 -7.491 1.00 0.00 C ATOM 270 CD2 LEU A 21 1.339 4.164 -5.855 1.00 0.00 C ATOM 0 H LEU A 21 3.130 7.043 -6.186 1.00 0.00 H new ATOM 0 HA LEU A 21 3.904 4.352 -6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.222 6.263 -8.435 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.198 4.511 -8.488 1.00 0.00 H new ATOM 0 HG LEU A 21 1.243 6.265 -6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.958 5.302 -6.744 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.272 6.195 -8.123 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.232 4.416 -8.106 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.525 4.168 -5.130 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.309 3.238 -6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.292 4.235 -5.331 1.00 0.00 H new ATOM 282 N THR A 22 5.135 4.456 -9.008 1.00 0.00 N ATOM 283 CA THR A 22 6.113 4.522 -10.087 1.00 0.00 C ATOM 284 C THR A 22 5.439 4.352 -11.445 1.00 0.00 C ATOM 285 O THR A 22 6.025 3.798 -12.375 1.00 0.00 O ATOM 286 CB THR A 22 7.186 3.448 -9.899 1.00 0.00 C ATOM 287 OG1 THR A 22 6.622 2.267 -9.356 1.00 0.00 O ATOM 288 CG2 THR A 22 8.313 3.880 -8.987 1.00 0.00 C ATOM 0 H THR A 22 4.775 3.520 -8.822 1.00 0.00 H new ATOM 0 HA THR A 22 6.584 5.505 -10.056 1.00 0.00 H new ATOM 0 HB THR A 22 7.595 3.270 -10.894 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.237 2.463 -8.476 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.039 3.072 -8.897 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.801 4.761 -9.404 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.913 4.119 -8.002 1.00 0.00 H new ATOM 296 N SER A 23 4.204 4.833 -11.550 1.00 0.00 N ATOM 297 CA SER A 23 3.450 4.735 -12.795 1.00 0.00 C ATOM 298 C SER A 23 2.602 5.984 -13.015 1.00 0.00 C ATOM 299 O SER A 23 2.600 6.561 -14.103 1.00 0.00 O ATOM 300 CB SER A 23 2.556 3.494 -12.777 1.00 0.00 C ATOM 301 OG SER A 23 3.255 2.356 -13.252 1.00 0.00 O ATOM 0 H SER A 23 3.705 5.294 -10.789 1.00 0.00 H new ATOM 0 HA SER A 23 4.161 4.650 -13.617 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.203 3.311 -11.762 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.675 3.668 -13.395 1.00 0.00 H new ATOM 0 HG SER A 23 4.219 2.492 -13.136 1.00 0.00 H new ATOM 307 N SER A 24 1.884 6.396 -11.976 1.00 0.00 N ATOM 308 CA SER A 24 1.032 7.577 -12.054 1.00 0.00 C ATOM 309 C SER A 24 1.760 8.816 -11.538 1.00 0.00 C ATOM 310 O SER A 24 1.367 9.945 -11.834 1.00 0.00 O ATOM 311 CB SER A 24 -0.253 7.357 -11.254 1.00 0.00 C ATOM 312 OG SER A 24 -0.912 6.172 -11.662 1.00 0.00 O ATOM 0 H SER A 24 1.875 5.929 -11.069 1.00 0.00 H new ATOM 0 HA SER A 24 0.779 7.740 -13.102 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.018 7.298 -10.191 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.918 8.210 -11.387 1.00 0.00 H new ATOM 0 HG SER A 24 -1.729 6.054 -11.134 1.00 0.00 H new ATOM 318 N ASN A 25 2.823 8.602 -10.765 1.00 0.00 N ATOM 319 CA ASN A 25 3.602 9.704 -10.210 1.00 0.00 C ATOM 320 C ASN A 25 2.786 10.482 -9.183 1.00 0.00 C ATOM 321 O ASN A 25 2.878 11.707 -9.101 1.00 0.00 O ATOM 322 CB ASN A 25 4.072 10.642 -11.323 1.00 0.00 C ATOM 323 CG ASN A 25 5.119 11.629 -10.845 1.00 0.00 C ATOM 324 OD1 ASN A 25 5.708 11.458 -9.778 1.00 0.00 O ATOM 325 ND2 ASN A 25 5.355 12.671 -11.634 1.00 0.00 N ATOM 0 H ASN A 25 3.164 7.675 -10.510 1.00 0.00 H new ATOM 0 HA ASN A 25 4.475 9.282 -9.712 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.481 10.052 -12.143 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.216 11.188 -11.719 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.048 13.369 -11.364 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.843 12.773 -12.510 1.00 0.00 H new ATOM 332 N GLU A 26 1.989 9.762 -8.400 1.00 0.00 N ATOM 333 CA GLU A 26 1.156 10.383 -7.377 1.00 0.00 C ATOM 334 C GLU A 26 1.411 9.750 -6.013 1.00 0.00 C ATOM 335 O GLU A 26 1.471 8.527 -5.886 1.00 0.00 O ATOM 336 CB GLU A 26 -0.323 10.250 -7.744 1.00 0.00 C ATOM 337 CG GLU A 26 -0.759 11.187 -8.859 1.00 0.00 C ATOM 338 CD GLU A 26 -1.410 12.452 -8.336 1.00 0.00 C ATOM 339 OE1 GLU A 26 -2.576 12.382 -7.895 1.00 0.00 O ATOM 340 OE2 GLU A 26 -0.752 13.515 -8.368 1.00 0.00 O ATOM 0 H GLU A 26 1.903 8.747 -8.455 1.00 0.00 H new ATOM 0 HA GLU A 26 1.416 11.440 -7.323 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.523 9.222 -8.046 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.928 10.446 -6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.107 11.452 -9.465 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.458 10.667 -9.513 1.00 0.00 H new ATOM 347 N MET A 27 1.561 10.591 -4.995 1.00 0.00 N ATOM 348 CA MET A 27 1.811 10.114 -3.639 1.00 0.00 C ATOM 349 C MET A 27 0.524 9.614 -2.993 1.00 0.00 C ATOM 350 O MET A 27 -0.575 9.983 -3.408 1.00 0.00 O ATOM 351 CB MET A 27 2.424 11.228 -2.789 1.00 0.00 C ATOM 352 CG MET A 27 3.924 11.384 -2.981 1.00 0.00 C ATOM 353 SD MET A 27 4.782 11.792 -1.447 1.00 0.00 S ATOM 354 CE MET A 27 5.784 10.325 -1.221 1.00 0.00 C ATOM 0 H MET A 27 1.514 11.606 -5.083 1.00 0.00 H new ATOM 0 HA MET A 27 2.514 9.283 -3.696 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.935 12.171 -3.033 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.220 11.026 -1.738 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.333 10.458 -3.386 1.00 0.00 H new ATOM 0 HG3 MET A 27 4.113 12.165 -3.717 1.00 0.00 H new ATOM 0 HE1 MET A 27 6.640 10.563 -0.590 1.00 0.00 H new ATOM 0 HE2 MET A 27 5.188 9.547 -0.745 1.00 0.00 H new ATOM 0 HE3 MET A 27 6.135 9.971 -2.190 1.00 0.00 H new ATOM 364 N ALA A 28 0.668 8.773 -1.973 1.00 0.00 N ATOM 365 CA ALA A 28 -0.483 8.223 -1.268 1.00 0.00 C ATOM 366 C ALA A 28 -0.105 7.787 0.143 1.00 0.00 C ATOM 367 O ALA A 28 1.031 7.385 0.395 1.00 0.00 O ATOM 368 CB ALA A 28 -1.068 7.054 -2.045 1.00 0.00 C ATOM 0 H ALA A 28 1.571 8.458 -1.617 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.237 9.006 -1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.927 6.653 -1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.384 7.394 -3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.313 6.276 -2.155 1.00 0.00 H new ATOM 374 N THR A 29 -1.063 7.868 1.059 1.00 0.00 N ATOM 375 CA THR A 29 -0.829 7.481 2.446 1.00 0.00 C ATOM 376 C THR A 29 -1.065 5.989 2.642 1.00 0.00 C ATOM 377 O THR A 29 -1.973 5.409 2.047 1.00 0.00 O ATOM 378 CB THR A 29 -1.736 8.281 3.382 1.00 0.00 C ATOM 379 OG1 THR A 29 -1.622 9.669 3.125 1.00 0.00 O ATOM 380 CG2 THR A 29 -1.429 8.058 4.847 1.00 0.00 C ATOM 0 H THR A 29 -2.009 8.198 0.867 1.00 0.00 H new ATOM 0 HA THR A 29 0.211 7.700 2.687 1.00 0.00 H new ATOM 0 HB THR A 29 -2.746 7.924 3.181 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.211 10.164 3.732 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.108 8.655 5.456 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.557 7.003 5.089 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.401 8.356 5.053 1.00 0.00 H new ATOM 388 N VAL A 30 -0.239 5.374 3.482 1.00 0.00 N ATOM 389 CA VAL A 30 -0.357 3.949 3.756 1.00 0.00 C ATOM 390 C VAL A 30 -1.360 3.685 4.873 1.00 0.00 C ATOM 391 O VAL A 30 -1.346 4.357 5.905 1.00 0.00 O ATOM 392 CB VAL A 30 1.002 3.336 4.146 1.00 0.00 C ATOM 393 CG1 VAL A 30 0.900 1.821 4.233 1.00 0.00 C ATOM 394 CG2 VAL A 30 2.079 3.750 3.154 1.00 0.00 C ATOM 0 H VAL A 30 0.517 5.840 3.983 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.708 3.479 2.837 1.00 0.00 H new ATOM 0 HB VAL A 30 1.282 3.714 5.129 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.869 1.406 4.509 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.161 1.549 4.986 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.597 1.421 3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.032 3.308 3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.808 3.403 2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.170 4.836 3.148 1.00 0.00 H new ATOM 404 N ARG A 31 -2.231 2.704 4.661 1.00 0.00 N ATOM 405 CA ARG A 31 -3.242 2.351 5.650 1.00 0.00 C ATOM 406 C ARG A 31 -3.036 0.927 6.156 1.00 0.00 C ATOM 407 O ARG A 31 -3.190 0.651 7.347 1.00 0.00 O ATOM 408 CB ARG A 31 -4.643 2.493 5.052 1.00 0.00 C ATOM 409 CG ARG A 31 -4.919 3.869 4.469 1.00 0.00 C ATOM 410 CD ARG A 31 -5.258 4.876 5.555 1.00 0.00 C ATOM 411 NE ARG A 31 -6.500 4.539 6.246 1.00 0.00 N ATOM 412 CZ ARG A 31 -7.200 5.402 6.980 1.00 0.00 C ATOM 413 NH1 ARG A 31 -6.782 6.654 7.119 1.00 0.00 N ATOM 414 NH2 ARG A 31 -8.320 5.014 7.574 1.00 0.00 N ATOM 0 H ARG A 31 -2.257 2.139 3.812 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.142 3.035 6.493 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.773 1.744 4.271 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.382 2.280 5.824 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.046 4.212 3.913 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.744 3.806 3.759 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.442 4.919 6.276 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.347 5.869 5.114 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.852 3.586 6.161 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.922 6.958 6.663 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.321 7.312 7.682 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.647 4.053 7.469 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.855 5.676 8.136 1.00 0.00 H new ATOM 428 N TYR A 32 -2.686 0.025 5.245 1.00 0.00 N ATOM 429 CA TYR A 32 -2.459 -1.371 5.600 1.00 0.00 C ATOM 430 C TYR A 32 -1.236 -1.925 4.874 1.00 0.00 C ATOM 431 O TYR A 32 -0.870 -1.447 3.801 1.00 0.00 O ATOM 432 CB TYR A 32 -3.691 -2.212 5.262 1.00 0.00 C ATOM 433 CG TYR A 32 -3.557 -3.667 5.650 1.00 0.00 C ATOM 434 CD1 TYR A 32 -3.320 -4.035 6.968 1.00 0.00 C ATOM 435 CD2 TYR A 32 -3.669 -4.673 4.698 1.00 0.00 C ATOM 436 CE1 TYR A 32 -3.197 -5.365 7.327 1.00 0.00 C ATOM 437 CE2 TYR A 32 -3.548 -6.004 5.048 1.00 0.00 C ATOM 438 CZ TYR A 32 -3.312 -6.344 6.364 1.00 0.00 C ATOM 439 OH TYR A 32 -3.191 -7.668 6.716 1.00 0.00 O ATOM 0 H TYR A 32 -2.553 0.236 4.256 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.276 -1.422 6.673 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.559 -1.789 5.767 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.882 -2.147 4.191 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.230 -3.270 7.725 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.854 -4.410 3.667 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.012 -5.635 8.356 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.638 -6.774 4.296 1.00 0.00 H new ATOM 0 HH TYR A 32 -3.299 -8.229 5.920 1.00 0.00 H new ATOM 449 N VAL A 33 -0.610 -2.936 5.469 1.00 0.00 N ATOM 450 CA VAL A 33 0.571 -3.555 4.880 1.00 0.00 C ATOM 451 C VAL A 33 0.636 -5.042 5.212 1.00 0.00 C ATOM 452 O VAL A 33 0.550 -5.431 6.377 1.00 0.00 O ATOM 453 CB VAL A 33 1.864 -2.875 5.365 1.00 0.00 C ATOM 454 CG1 VAL A 33 3.067 -3.399 4.595 1.00 0.00 C ATOM 455 CG2 VAL A 33 1.755 -1.364 5.234 1.00 0.00 C ATOM 0 H VAL A 33 -0.901 -3.343 6.358 1.00 0.00 H new ATOM 0 HA VAL A 33 0.488 -3.430 3.800 1.00 0.00 H new ATOM 0 HB VAL A 33 2.004 -3.116 6.419 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.971 -2.906 4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.156 -4.475 4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.937 -3.192 3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.679 -0.901 5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.588 -1.100 4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.920 -1.006 5.837 1.00 0.00 H new ATOM 465 N GLY A 34 0.789 -5.867 4.182 1.00 0.00 N ATOM 466 CA GLY A 34 0.863 -7.302 4.387 1.00 0.00 C ATOM 467 C GLY A 34 0.129 -8.081 3.311 1.00 0.00 C ATOM 468 O GLY A 34 -0.462 -7.488 2.408 1.00 0.00 O ATOM 0 H GLY A 34 0.863 -5.568 3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.908 -7.610 4.405 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.441 -7.549 5.361 1.00 0.00 H new ATOM 472 N PRO A 35 0.148 -9.423 3.380 1.00 0.00 N ATOM 473 CA PRO A 35 -0.527 -10.274 2.394 1.00 0.00 C ATOM 474 C PRO A 35 -1.990 -9.888 2.203 1.00 0.00 C ATOM 475 O PRO A 35 -2.533 -9.081 2.956 1.00 0.00 O ATOM 476 CB PRO A 35 -0.418 -11.676 3.000 1.00 0.00 C ATOM 477 CG PRO A 35 0.781 -11.616 3.881 1.00 0.00 C ATOM 478 CD PRO A 35 0.827 -10.214 4.423 1.00 0.00 C ATOM 0 HA PRO A 35 -0.078 -10.188 1.405 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.313 -11.933 3.567 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.302 -12.434 2.225 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.709 -12.344 4.689 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.688 -11.848 3.322 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.316 -10.137 5.383 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.852 -9.877 4.580 1.00 0.00 H new ATOM 486 N THR A 36 -2.623 -10.473 1.190 1.00 0.00 N ATOM 487 CA THR A 36 -4.023 -10.191 0.899 1.00 0.00 C ATOM 488 C THR A 36 -4.855 -11.468 0.940 1.00 0.00 C ATOM 489 O THR A 36 -4.361 -12.531 1.319 1.00 0.00 O ATOM 490 CB THR A 36 -4.157 -9.524 -0.471 1.00 0.00 C ATOM 491 OG1 THR A 36 -3.816 -10.432 -1.504 1.00 0.00 O ATOM 492 CG2 THR A 36 -3.282 -8.300 -0.628 1.00 0.00 C ATOM 0 H THR A 36 -2.188 -11.145 0.558 1.00 0.00 H new ATOM 0 HA THR A 36 -4.397 -9.511 1.664 1.00 0.00 H new ATOM 0 HB THR A 36 -5.200 -9.216 -0.543 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.889 -10.728 -1.387 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.425 -7.875 -1.622 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.553 -7.560 0.125 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.237 -8.581 -0.501 1.00 0.00 H new ATOM 500 N ASP A 37 -6.120 -11.358 0.548 1.00 0.00 N ATOM 501 CA ASP A 37 -7.020 -12.506 0.540 1.00 0.00 C ATOM 502 C ASP A 37 -7.238 -13.017 -0.880 1.00 0.00 C ATOM 503 O ASP A 37 -7.448 -14.210 -1.096 1.00 0.00 O ATOM 504 CB ASP A 37 -8.362 -12.132 1.172 1.00 0.00 C ATOM 505 CG ASP A 37 -8.907 -13.229 2.064 1.00 0.00 C ATOM 506 OD1 ASP A 37 -8.262 -13.538 3.088 1.00 0.00 O ATOM 507 OD2 ASP A 37 -9.980 -13.780 1.740 1.00 0.00 O ATOM 0 H ASP A 37 -6.545 -10.486 0.232 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.559 -13.302 1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.244 -11.219 1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.084 -11.916 0.384 1.00 0.00 H new ATOM 512 N PHE A 38 -7.184 -12.106 -1.846 1.00 0.00 N ATOM 513 CA PHE A 38 -7.377 -12.465 -3.247 1.00 0.00 C ATOM 514 C PHE A 38 -6.045 -12.801 -3.911 1.00 0.00 C ATOM 515 O PHE A 38 -5.984 -13.632 -4.816 1.00 0.00 O ATOM 516 CB PHE A 38 -8.060 -11.322 -3.999 1.00 0.00 C ATOM 517 CG PHE A 38 -7.321 -10.017 -3.906 1.00 0.00 C ATOM 518 CD1 PHE A 38 -6.145 -9.820 -4.613 1.00 0.00 C ATOM 519 CD2 PHE A 38 -7.804 -8.987 -3.115 1.00 0.00 C ATOM 520 CE1 PHE A 38 -5.463 -8.620 -4.529 1.00 0.00 C ATOM 521 CE2 PHE A 38 -7.126 -7.785 -3.028 1.00 0.00 C ATOM 522 CZ PHE A 38 -5.955 -7.602 -3.736 1.00 0.00 C ATOM 0 H PHE A 38 -7.008 -11.114 -1.685 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.015 -13.348 -3.285 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.163 -11.598 -5.048 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.067 -11.189 -3.604 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.757 -10.612 -5.236 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.720 -9.125 -2.560 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.547 -8.479 -5.083 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -7.512 -6.990 -2.407 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.424 -6.664 -3.670 1.00 0.00 H new ATOM 532 N ALA A 39 -4.980 -12.151 -3.452 1.00 0.00 N ATOM 533 CA ALA A 39 -3.650 -12.381 -4.001 1.00 0.00 C ATOM 534 C ALA A 39 -2.787 -13.181 -3.031 1.00 0.00 C ATOM 535 O ALA A 39 -3.223 -13.520 -1.931 1.00 0.00 O ATOM 536 CB ALA A 39 -2.981 -11.058 -4.338 1.00 0.00 C ATOM 0 H ALA A 39 -5.013 -11.461 -2.701 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.758 -12.963 -4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.988 -11.246 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.582 -10.524 -5.074 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.893 -10.454 -3.435 1.00 0.00 H new ATOM 542 N SER A 40 -1.560 -13.479 -3.446 1.00 0.00 N ATOM 543 CA SER A 40 -0.635 -14.238 -2.613 1.00 0.00 C ATOM 544 C SER A 40 0.745 -13.585 -2.595 1.00 0.00 C ATOM 545 O SER A 40 1.739 -14.196 -2.987 1.00 0.00 O ATOM 546 CB SER A 40 -0.527 -15.679 -3.118 1.00 0.00 C ATOM 547 OG SER A 40 -1.742 -16.103 -3.712 1.00 0.00 O ATOM 0 H SER A 40 -1.184 -13.206 -4.354 1.00 0.00 H new ATOM 0 HA SER A 40 -1.024 -14.246 -1.595 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.282 -15.754 -3.844 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.273 -16.340 -2.289 1.00 0.00 H new ATOM 0 HG SER A 40 -1.647 -17.026 -4.028 1.00 0.00 H new ATOM 553 N GLY A 41 0.796 -12.337 -2.139 1.00 0.00 N ATOM 554 CA GLY A 41 2.057 -11.622 -2.080 1.00 0.00 C ATOM 555 C GLY A 41 2.063 -10.546 -1.012 1.00 0.00 C ATOM 556 O GLY A 41 1.725 -10.806 0.143 1.00 0.00 O ATOM 0 H GLY A 41 -0.012 -11.809 -1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.863 -12.329 -1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.260 -11.168 -3.050 1.00 0.00 H new ATOM 560 N ILE A 42 2.450 -9.334 -1.397 1.00 0.00 N ATOM 561 CA ILE A 42 2.500 -8.216 -0.464 1.00 0.00 C ATOM 562 C ILE A 42 2.029 -6.925 -1.125 1.00 0.00 C ATOM 563 O ILE A 42 2.653 -6.436 -2.067 1.00 0.00 O ATOM 564 CB ILE A 42 3.924 -8.007 0.088 1.00 0.00 C ATOM 565 CG1 ILE A 42 4.511 -9.337 0.563 1.00 0.00 C ATOM 566 CG2 ILE A 42 3.911 -6.991 1.220 1.00 0.00 C ATOM 567 CD1 ILE A 42 5.353 -10.035 -0.483 1.00 0.00 C ATOM 0 H ILE A 42 2.733 -9.102 -2.349 1.00 0.00 H new ATOM 0 HA ILE A 42 1.831 -8.463 0.360 1.00 0.00 H new ATOM 0 HB ILE A 42 4.554 -7.619 -0.712 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.120 -9.160 1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.697 -9.998 0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.924 -6.855 1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.531 -6.039 0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.268 -7.350 2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.736 -10.971 -0.076 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.742 -10.244 -1.361 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.188 -9.393 -0.766 1.00 0.00 H new ATOM 579 N TRP A 43 0.926 -6.378 -0.625 1.00 0.00 N ATOM 580 CA TRP A 43 0.372 -5.143 -1.168 1.00 0.00 C ATOM 581 C TRP A 43 0.236 -4.083 -0.080 1.00 0.00 C ATOM 582 O TRP A 43 0.393 -4.373 1.106 1.00 0.00 O ATOM 583 CB TRP A 43 -0.992 -5.409 -1.808 1.00 0.00 C ATOM 584 CG TRP A 43 -0.941 -6.415 -2.918 1.00 0.00 C ATOM 585 CD1 TRP A 43 -0.719 -7.756 -2.800 1.00 0.00 C ATOM 586 CD2 TRP A 43 -1.118 -6.158 -4.316 1.00 0.00 C ATOM 587 NE1 TRP A 43 -0.746 -8.350 -4.039 1.00 0.00 N ATOM 588 CE2 TRP A 43 -0.989 -7.390 -4.986 1.00 0.00 C ATOM 589 CE3 TRP A 43 -1.374 -5.007 -5.067 1.00 0.00 C ATOM 590 CZ2 TRP A 43 -1.106 -7.501 -6.369 1.00 0.00 C ATOM 591 CZ3 TRP A 43 -1.489 -5.119 -6.440 1.00 0.00 C ATOM 592 CH2 TRP A 43 -1.356 -6.358 -7.078 1.00 0.00 C ATOM 0 H TRP A 43 0.398 -6.770 0.155 1.00 0.00 H new ATOM 0 HA TRP A 43 1.058 -4.771 -1.930 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.683 -5.759 -1.041 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.393 -4.472 -2.195 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.547 -8.275 -1.869 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.608 -9.344 -4.224 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.480 -4.047 -4.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.003 -8.455 -6.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.685 -4.236 -7.030 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.453 -6.413 -8.152 1.00 0.00 H new ATOM 603 N LEU A 44 -0.055 -2.853 -0.492 1.00 0.00 N ATOM 604 CA LEU A 44 -0.211 -1.749 0.449 1.00 0.00 C ATOM 605 C LEU A 44 -1.557 -1.058 0.258 1.00 0.00 C ATOM 606 O LEU A 44 -1.904 -0.646 -0.849 1.00 0.00 O ATOM 607 CB LEU A 44 0.923 -0.737 0.273 1.00 0.00 C ATOM 608 CG LEU A 44 2.324 -1.343 0.182 1.00 0.00 C ATOM 609 CD1 LEU A 44 3.337 -0.287 -0.229 1.00 0.00 C ATOM 610 CD2 LEU A 44 2.719 -1.976 1.508 1.00 0.00 C ATOM 0 H LEU A 44 -0.187 -2.596 -1.470 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.172 -2.157 1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.735 -0.158 -0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.899 -0.039 1.110 1.00 0.00 H new ATOM 0 HG LEU A 44 2.313 -2.122 -0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.328 -0.737 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.064 0.119 -1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.346 0.515 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.719 -2.402 1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.712 -1.217 2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.009 -2.763 1.761 1.00 0.00 H new ATOM 622 N GLY A 45 -2.314 -0.935 1.344 1.00 0.00 N ATOM 623 CA GLY A 45 -3.613 -0.294 1.275 1.00 0.00 C ATOM 624 C GLY A 45 -3.516 1.219 1.289 1.00 0.00 C ATOM 625 O GLY A 45 -3.615 1.844 2.344 1.00 0.00 O ATOM 0 H GLY A 45 -2.050 -1.268 2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.124 -0.614 0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.222 -0.623 2.117 1.00 0.00 H new ATOM 629 N LEU A 46 -3.323 1.808 0.113 1.00 0.00 N ATOM 630 CA LEU A 46 -3.213 3.257 -0.006 1.00 0.00 C ATOM 631 C LEU A 46 -4.591 3.912 0.029 1.00 0.00 C ATOM 632 O LEU A 46 -5.611 3.245 -0.144 1.00 0.00 O ATOM 633 CB LEU A 46 -2.491 3.630 -1.304 1.00 0.00 C ATOM 634 CG LEU A 46 -1.058 3.110 -1.420 1.00 0.00 C ATOM 635 CD1 LEU A 46 -0.526 3.321 -2.828 1.00 0.00 C ATOM 636 CD2 LEU A 46 -0.160 3.795 -0.399 1.00 0.00 C ATOM 0 H LEU A 46 -3.240 1.304 -0.770 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.634 3.623 0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.069 3.249 -2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.476 4.716 -1.394 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.061 2.040 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.495 2.945 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.155 2.785 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.536 4.385 -3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.857 3.414 -0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.162 4.871 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.531 3.592 0.606 1.00 0.00 H new ATOM 648 N GLU A 47 -4.612 5.221 0.254 1.00 0.00 N ATOM 649 CA GLU A 47 -5.864 5.966 0.312 1.00 0.00 C ATOM 650 C GLU A 47 -5.670 7.398 -0.178 1.00 0.00 C ATOM 651 O GLU A 47 -5.019 8.207 0.483 1.00 0.00 O ATOM 652 CB GLU A 47 -6.413 5.970 1.742 1.00 0.00 C ATOM 653 CG GLU A 47 -7.881 5.584 1.830 1.00 0.00 C ATOM 654 CD GLU A 47 -8.401 5.594 3.254 1.00 0.00 C ATOM 655 OE1 GLU A 47 -8.137 4.619 3.989 1.00 0.00 O ATOM 656 OE2 GLU A 47 -9.072 6.575 3.635 1.00 0.00 O ATOM 0 H GLU A 47 -3.777 5.788 0.399 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.582 5.474 -0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.827 5.280 2.349 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.281 6.963 2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.471 6.274 1.227 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.018 4.590 1.404 1.00 0.00 H new ATOM 663 N LEU A 48 -6.239 7.702 -1.340 1.00 0.00 N ATOM 664 CA LEU A 48 -6.129 9.037 -1.918 1.00 0.00 C ATOM 665 C LEU A 48 -7.122 9.995 -1.270 1.00 0.00 C ATOM 666 O LEU A 48 -7.883 9.610 -0.382 1.00 0.00 O ATOM 667 CB LEU A 48 -6.367 8.982 -3.429 1.00 0.00 C ATOM 668 CG LEU A 48 -5.362 8.135 -4.212 1.00 0.00 C ATOM 669 CD1 LEU A 48 -5.933 7.746 -5.567 1.00 0.00 C ATOM 670 CD2 LEU A 48 -4.050 8.886 -4.380 1.00 0.00 C ATOM 0 H LEU A 48 -6.780 7.043 -1.900 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.121 9.406 -1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.368 8.590 -3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.347 9.998 -3.822 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.166 7.223 -3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.204 7.144 -6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.847 7.169 -5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.158 8.646 -6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.347 8.269 -4.939 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.229 9.814 -4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.633 9.114 -3.399 1.00 0.00 H new ATOM 682 N ARG A 49 -7.112 11.245 -1.720 1.00 0.00 N ATOM 683 CA ARG A 49 -8.013 12.258 -1.184 1.00 0.00 C ATOM 684 C ARG A 49 -9.244 12.416 -2.070 1.00 0.00 C ATOM 685 O ARG A 49 -10.342 12.684 -1.582 1.00 0.00 O ATOM 686 CB ARG A 49 -7.288 13.600 -1.056 1.00 0.00 C ATOM 687 CG ARG A 49 -7.720 14.412 0.152 1.00 0.00 C ATOM 688 CD ARG A 49 -6.938 14.021 1.396 1.00 0.00 C ATOM 689 NE ARG A 49 -5.499 14.192 1.212 1.00 0.00 N ATOM 690 CZ ARG A 49 -4.579 13.613 1.982 1.00 0.00 C ATOM 691 NH1 ARG A 49 -4.945 12.826 2.986 1.00 0.00 N ATOM 692 NH2 ARG A 49 -3.291 13.820 1.746 1.00 0.00 N ATOM 0 H ARG A 49 -6.490 11.581 -2.455 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.338 11.932 -0.196 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.215 13.419 -0.997 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.463 14.186 -1.958 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.575 15.473 -0.051 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.785 14.264 0.329 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.271 14.627 2.239 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.151 12.982 1.647 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.180 14.790 0.449 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.935 12.662 3.171 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.237 12.385 3.573 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.004 14.423 0.975 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.587 13.377 2.336 1.00 0.00 H new ATOM 706 N SER A 50 -9.054 12.247 -3.375 1.00 0.00 N ATOM 707 CA SER A 50 -10.150 12.370 -4.329 1.00 0.00 C ATOM 708 C SER A 50 -10.419 11.039 -5.023 1.00 0.00 C ATOM 709 O SER A 50 -9.721 10.053 -4.789 1.00 0.00 O ATOM 710 CB SER A 50 -9.828 13.446 -5.370 1.00 0.00 C ATOM 711 OG SER A 50 -8.546 13.237 -5.939 1.00 0.00 O ATOM 0 H SER A 50 -8.152 12.025 -3.795 1.00 0.00 H new ATOM 0 HA SER A 50 -11.046 12.660 -3.781 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.584 13.435 -6.155 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.867 14.431 -4.904 1.00 0.00 H new ATOM 0 HG SER A 50 -8.364 13.936 -6.602 1.00 0.00 H new ATOM 717 N ALA A 51 -11.434 11.019 -5.879 1.00 0.00 N ATOM 718 CA ALA A 51 -11.795 9.808 -6.608 1.00 0.00 C ATOM 719 C ALA A 51 -10.848 9.570 -7.779 1.00 0.00 C ATOM 720 O ALA A 51 -11.095 10.028 -8.894 1.00 0.00 O ATOM 721 CB ALA A 51 -13.232 9.898 -7.101 1.00 0.00 C ATOM 0 H ALA A 51 -12.022 11.827 -6.086 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.708 8.963 -5.925 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.488 8.988 -7.643 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.902 10.014 -6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -13.336 10.757 -7.764 1.00 0.00 H new ATOM 727 N LYS A 52 -9.761 8.852 -7.516 1.00 0.00 N ATOM 728 CA LYS A 52 -8.775 8.553 -8.547 1.00 0.00 C ATOM 729 C LYS A 52 -8.141 7.185 -8.316 1.00 0.00 C ATOM 730 O LYS A 52 -6.919 7.040 -8.351 1.00 0.00 O ATOM 731 CB LYS A 52 -7.692 9.635 -8.573 1.00 0.00 C ATOM 732 CG LYS A 52 -8.058 10.843 -9.418 1.00 0.00 C ATOM 733 CD LYS A 52 -7.708 10.627 -10.881 1.00 0.00 C ATOM 734 CE LYS A 52 -8.907 10.134 -11.675 1.00 0.00 C ATOM 735 NZ LYS A 52 -9.465 11.197 -12.557 1.00 0.00 N ATOM 0 H LYS A 52 -9.541 8.467 -6.598 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.286 8.536 -9.510 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.493 9.963 -7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.767 9.202 -8.954 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.125 11.044 -9.324 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.534 11.722 -9.044 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.345 11.561 -11.311 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.897 9.903 -10.959 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.613 9.277 -12.281 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.680 9.789 -10.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.281 10.821 -13.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.769 12.005 -11.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.735 11.508 -13.230 1.00 0.00 H new ATOM 749 N GLY A 53 -8.981 6.182 -8.079 1.00 0.00 N ATOM 750 CA GLY A 53 -8.484 4.839 -7.845 1.00 0.00 C ATOM 751 C GLY A 53 -9.328 3.780 -8.528 1.00 0.00 C ATOM 752 O GLY A 53 -10.086 4.079 -9.451 1.00 0.00 O ATOM 0 H GLY A 53 -9.996 6.276 -8.045 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.457 4.768 -8.204 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.461 4.645 -6.773 1.00 0.00 H new ATOM 756 N LYS A 54 -9.195 2.539 -8.072 1.00 0.00 N ATOM 757 CA LYS A 54 -9.951 1.430 -8.644 1.00 0.00 C ATOM 758 C LYS A 54 -10.332 0.420 -7.565 1.00 0.00 C ATOM 759 O LYS A 54 -10.431 -0.778 -7.830 1.00 0.00 O ATOM 760 CB LYS A 54 -9.134 0.739 -9.738 1.00 0.00 C ATOM 761 CG LYS A 54 -8.922 1.601 -10.972 1.00 0.00 C ATOM 762 CD LYS A 54 -10.182 1.686 -11.817 1.00 0.00 C ATOM 763 CE LYS A 54 -10.153 0.686 -12.962 1.00 0.00 C ATOM 764 NZ LYS A 54 -10.917 -0.551 -12.640 1.00 0.00 N ATOM 0 H LYS A 54 -8.572 2.276 -7.309 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.865 1.832 -9.081 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.163 0.456 -9.331 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.638 -0.182 -10.030 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.618 2.603 -10.669 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.109 1.188 -11.570 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.055 1.499 -11.191 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.286 2.695 -12.216 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.570 1.147 -13.857 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.119 0.425 -13.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.901 -1.192 -13.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.483 -1.024 -11.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.901 -0.302 -12.415 1.00 0.00 H new ATOM 778 N ASN A 55 -10.547 0.913 -6.350 1.00 0.00 N ATOM 779 CA ASN A 55 -10.917 0.054 -5.232 1.00 0.00 C ATOM 780 C ASN A 55 -12.095 0.641 -4.462 1.00 0.00 C ATOM 781 O ASN A 55 -12.585 1.723 -4.787 1.00 0.00 O ATOM 782 CB ASN A 55 -9.725 -0.138 -4.293 1.00 0.00 C ATOM 783 CG ASN A 55 -8.787 -1.232 -4.765 1.00 0.00 C ATOM 784 OD1 ASN A 55 -9.225 -2.288 -5.221 1.00 0.00 O ATOM 785 ND2 ASN A 55 -7.486 -0.982 -4.659 1.00 0.00 N ATOM 0 H ASN A 55 -10.471 1.903 -6.115 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.214 -0.915 -5.634 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.174 0.799 -4.213 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.088 -0.381 -3.294 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.806 -1.680 -4.962 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.167 -0.092 -4.275 1.00 0.00 H new ATOM 792 N ASP A 56 -12.546 -0.080 -3.440 1.00 0.00 N ATOM 793 CA ASP A 56 -13.668 0.370 -2.623 1.00 0.00 C ATOM 794 C ASP A 56 -13.366 0.192 -1.139 1.00 0.00 C ATOM 795 O ASP A 56 -14.268 -0.046 -0.336 1.00 0.00 O ATOM 796 CB ASP A 56 -14.936 -0.401 -2.994 1.00 0.00 C ATOM 797 CG ASP A 56 -14.799 -1.891 -2.753 1.00 0.00 C ATOM 798 OD1 ASP A 56 -13.948 -2.523 -3.413 1.00 0.00 O ATOM 799 OD2 ASP A 56 -15.543 -2.426 -1.904 1.00 0.00 O ATOM 0 H ASP A 56 -12.152 -0.978 -3.158 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.826 1.431 -2.818 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.774 -0.017 -2.412 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.170 -0.226 -4.044 1.00 0.00 H new ATOM 804 N GLY A 57 -12.092 0.309 -0.781 1.00 0.00 N ATOM 805 CA GLY A 57 -11.694 0.159 0.607 1.00 0.00 C ATOM 806 C GLY A 57 -11.321 -1.270 0.952 1.00 0.00 C ATOM 807 O GLY A 57 -10.252 -1.521 1.511 1.00 0.00 O ATOM 0 H GLY A 57 -11.327 0.505 -1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.846 0.812 0.811 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.509 0.484 1.253 1.00 0.00 H new ATOM 811 N ALA A 58 -12.203 -2.207 0.622 1.00 0.00 N ATOM 812 CA ALA A 58 -11.960 -3.617 0.901 1.00 0.00 C ATOM 813 C ALA A 58 -12.211 -4.473 -0.335 1.00 0.00 C ATOM 814 O ALA A 58 -12.826 -4.021 -1.301 1.00 0.00 O ATOM 815 CB ALA A 58 -12.834 -4.084 2.055 1.00 0.00 C ATOM 0 H ALA A 58 -13.092 -2.015 0.161 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.913 -3.731 1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.643 -5.139 2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.603 -3.500 2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.884 -3.949 1.794 1.00 0.00 H new ATOM 821 N VAL A 59 -11.731 -5.712 -0.300 1.00 0.00 N ATOM 822 CA VAL A 59 -11.904 -6.631 -1.417 1.00 0.00 C ATOM 823 C VAL A 59 -11.919 -8.079 -0.940 1.00 0.00 C ATOM 824 O VAL A 59 -10.976 -8.541 -0.298 1.00 0.00 O ATOM 825 CB VAL A 59 -10.787 -6.460 -2.463 1.00 0.00 C ATOM 826 CG1 VAL A 59 -11.090 -7.278 -3.709 1.00 0.00 C ATOM 827 CG2 VAL A 59 -10.604 -4.991 -2.814 1.00 0.00 C ATOM 0 H VAL A 59 -11.219 -6.102 0.491 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.863 -6.392 -1.877 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.855 -6.827 -2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.289 -7.144 -4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.165 -8.332 -3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -12.033 -6.945 -4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.811 -4.890 -3.554 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.534 -4.596 -3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.336 -4.433 -1.917 1.00 0.00 H new ATOM 837 N GLY A 60 -12.996 -8.790 -1.258 1.00 0.00 N ATOM 838 CA GLY A 60 -13.113 -10.179 -0.855 1.00 0.00 C ATOM 839 C GLY A 60 -13.711 -10.332 0.530 1.00 0.00 C ATOM 840 O GLY A 60 -14.708 -9.687 0.857 1.00 0.00 O ATOM 0 H GLY A 60 -13.790 -8.429 -1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.733 -10.712 -1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.128 -10.644 -0.875 1.00 0.00 H new ATOM 844 N ASP A 61 -13.102 -11.186 1.345 1.00 0.00 N ATOM 845 CA ASP A 61 -13.581 -11.421 2.703 1.00 0.00 C ATOM 846 C ASP A 61 -12.632 -10.810 3.730 1.00 0.00 C ATOM 847 O ASP A 61 -12.507 -11.308 4.848 1.00 0.00 O ATOM 848 CB ASP A 61 -13.729 -12.922 2.960 1.00 0.00 C ATOM 849 CG ASP A 61 -15.116 -13.432 2.622 1.00 0.00 C ATOM 850 OD1 ASP A 61 -16.092 -12.948 3.234 1.00 0.00 O ATOM 851 OD2 ASP A 61 -15.228 -14.314 1.746 1.00 0.00 O ATOM 0 H ASP A 61 -12.276 -11.727 1.090 1.00 0.00 H new ATOM 0 HA ASP A 61 -14.555 -10.942 2.805 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.991 -13.464 2.368 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.513 -13.132 4.008 1.00 0.00 H new ATOM 856 N LYS A 62 -11.966 -9.726 3.342 1.00 0.00 N ATOM 857 CA LYS A 62 -11.029 -9.046 4.229 1.00 0.00 C ATOM 858 C LYS A 62 -11.069 -7.537 4.008 1.00 0.00 C ATOM 859 O LYS A 62 -11.684 -7.056 3.056 1.00 0.00 O ATOM 860 CB LYS A 62 -9.610 -9.572 4.004 1.00 0.00 C ATOM 861 CG LYS A 62 -8.827 -9.779 5.289 1.00 0.00 C ATOM 862 CD LYS A 62 -7.494 -10.460 5.026 1.00 0.00 C ATOM 863 CE LYS A 62 -6.962 -11.145 6.274 1.00 0.00 C ATOM 864 NZ LYS A 62 -7.728 -12.380 6.599 1.00 0.00 N ATOM 0 H LYS A 62 -12.058 -9.300 2.420 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.325 -9.251 5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.663 -10.518 3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.069 -8.872 3.367 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.656 -8.816 5.771 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.415 -10.382 5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.610 -11.194 4.229 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.770 -9.723 4.678 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.911 -11.397 6.130 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.012 -10.455 7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.187 -12.957 7.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.642 -12.120 7.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.891 -12.927 5.729 1.00 0.00 H new ATOM 878 N ARG A 63 -10.409 -6.796 4.893 1.00 0.00 N ATOM 879 CA ARG A 63 -10.369 -5.342 4.793 1.00 0.00 C ATOM 880 C ARG A 63 -8.930 -4.840 4.726 1.00 0.00 C ATOM 881 O ARG A 63 -8.015 -5.472 5.255 1.00 0.00 O ATOM 882 CB ARG A 63 -11.090 -4.709 5.986 1.00 0.00 C ATOM 883 CG ARG A 63 -12.127 -3.670 5.589 1.00 0.00 C ATOM 884 CD ARG A 63 -13.442 -4.320 5.183 1.00 0.00 C ATOM 885 NE ARG A 63 -14.276 -4.638 6.340 1.00 0.00 N ATOM 886 CZ ARG A 63 -14.291 -5.825 6.947 1.00 0.00 C ATOM 887 NH1 ARG A 63 -13.518 -6.815 6.516 1.00 0.00 N ATOM 888 NH2 ARG A 63 -15.084 -6.022 7.992 1.00 0.00 N ATOM 0 H ARG A 63 -9.895 -7.179 5.687 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.878 -5.051 3.874 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.577 -5.494 6.564 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.353 -4.243 6.640 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.299 -2.989 6.423 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.745 -3.071 4.762 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -13.986 -3.651 4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.238 -5.232 4.622 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.885 -3.906 6.706 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.905 -6.671 5.713 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.537 -7.719 6.988 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -15.680 -5.266 8.329 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.097 -6.929 8.458 1.00 0.00 H new ATOM 902 N TYR A 64 -8.736 -3.698 4.073 1.00 0.00 N ATOM 903 CA TYR A 64 -7.408 -3.110 3.937 1.00 0.00 C ATOM 904 C TYR A 64 -7.427 -1.634 4.320 1.00 0.00 C ATOM 905 O TYR A 64 -6.583 -1.171 5.089 1.00 0.00 O ATOM 906 CB TYR A 64 -6.899 -3.270 2.503 1.00 0.00 C ATOM 907 CG TYR A 64 -7.069 -4.668 1.952 1.00 0.00 C ATOM 908 CD1 TYR A 64 -6.468 -5.757 2.571 1.00 0.00 C ATOM 909 CD2 TYR A 64 -7.832 -4.899 0.814 1.00 0.00 C ATOM 910 CE1 TYR A 64 -6.621 -7.036 2.070 1.00 0.00 C ATOM 911 CE2 TYR A 64 -7.990 -6.175 0.308 1.00 0.00 C ATOM 912 CZ TYR A 64 -7.383 -7.239 0.939 1.00 0.00 C ATOM 913 OH TYR A 64 -7.538 -8.513 0.438 1.00 0.00 O ATOM 0 H TYR A 64 -9.482 -3.162 3.630 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.734 -3.635 4.614 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.428 -2.568 1.858 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.843 -3.001 2.469 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.872 -5.602 3.458 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.309 -4.068 0.317 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.146 -7.872 2.562 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -8.586 -6.338 -0.578 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.499 -8.487 -0.541 1.00 0.00 H new ATOM 923 N PHE A 65 -8.393 -0.899 3.779 1.00 0.00 N ATOM 924 CA PHE A 65 -8.522 0.526 4.064 1.00 0.00 C ATOM 925 C PHE A 65 -9.971 0.980 3.919 1.00 0.00 C ATOM 926 O PHE A 65 -10.804 0.263 3.364 1.00 0.00 O ATOM 927 CB PHE A 65 -7.624 1.338 3.130 1.00 0.00 C ATOM 928 CG PHE A 65 -7.712 0.912 1.691 1.00 0.00 C ATOM 929 CD1 PHE A 65 -7.019 -0.200 1.241 1.00 0.00 C ATOM 930 CD2 PHE A 65 -8.488 1.625 0.791 1.00 0.00 C ATOM 931 CE1 PHE A 65 -7.100 -0.594 -0.082 1.00 0.00 C ATOM 932 CE2 PHE A 65 -8.571 1.236 -0.532 1.00 0.00 C ATOM 933 CZ PHE A 65 -7.876 0.124 -0.968 1.00 0.00 C ATOM 0 H PHE A 65 -9.098 -1.267 3.140 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.209 0.695 5.094 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.893 2.392 3.206 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.590 1.248 3.464 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.409 -0.765 1.931 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.034 2.494 1.128 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.556 -1.463 -0.421 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.178 1.800 -1.224 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.940 -0.183 -2.002 1.00 0.00 H new ATOM 943 N THR A 66 -10.263 2.175 4.420 1.00 0.00 N ATOM 944 CA THR A 66 -11.612 2.726 4.346 1.00 0.00 C ATOM 945 C THR A 66 -11.621 4.038 3.568 1.00 0.00 C ATOM 946 O THR A 66 -10.988 5.015 3.971 1.00 0.00 O ATOM 947 CB THR A 66 -12.172 2.949 5.751 1.00 0.00 C ATOM 948 OG1 THR A 66 -11.128 3.221 6.670 1.00 0.00 O ATOM 949 CG2 THR A 66 -12.951 1.763 6.280 1.00 0.00 C ATOM 0 H THR A 66 -9.585 2.781 4.882 1.00 0.00 H new ATOM 0 HA THR A 66 -12.243 2.009 3.821 1.00 0.00 H new ATOM 0 HB THR A 66 -12.850 3.798 5.660 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.507 3.362 7.563 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.320 1.987 7.281 1.00 0.00 H new ATOM 0 HG22 THR A 66 -13.794 1.557 5.620 1.00 0.00 H new ATOM 0 HG23 THR A 66 -12.300 0.889 6.321 1.00 0.00 H new ATOM 957 N CYS A 67 -12.343 4.054 2.453 1.00 0.00 N ATOM 958 CA CYS A 67 -12.434 5.247 1.619 1.00 0.00 C ATOM 959 C CYS A 67 -13.707 5.229 0.779 1.00 0.00 C ATOM 960 O CYS A 67 -14.527 4.318 0.894 1.00 0.00 O ATOM 961 CB CYS A 67 -11.210 5.354 0.708 1.00 0.00 C ATOM 962 SG CYS A 67 -11.019 3.966 -0.436 1.00 0.00 S ATOM 0 H CYS A 67 -12.873 3.255 2.106 1.00 0.00 H new ATOM 0 HA CYS A 67 -12.466 6.116 2.276 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -11.277 6.278 0.134 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -10.315 5.427 1.326 1.00 0.00 H new ATOM 0 HG CYS A 67 -9.917 3.331 -0.168 1.00 0.00 H new ATOM 968 N LYS A 68 -13.865 6.243 -0.066 1.00 0.00 N ATOM 969 CA LYS A 68 -15.038 6.346 -0.927 1.00 0.00 C ATOM 970 C LYS A 68 -14.880 5.471 -2.168 1.00 0.00 C ATOM 971 O LYS A 68 -13.774 5.048 -2.502 1.00 0.00 O ATOM 972 CB LYS A 68 -15.264 7.802 -1.340 1.00 0.00 C ATOM 973 CG LYS A 68 -15.781 8.680 -0.213 1.00 0.00 C ATOM 974 CD LYS A 68 -14.644 9.221 0.639 1.00 0.00 C ATOM 975 CE LYS A 68 -15.058 10.475 1.390 1.00 0.00 C ATOM 976 NZ LYS A 68 -14.461 10.530 2.752 1.00 0.00 N ATOM 0 H LYS A 68 -13.195 7.005 -0.173 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.904 5.995 -0.366 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.326 8.216 -1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.974 7.831 -2.167 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.351 9.510 -0.630 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -16.464 8.106 0.413 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.326 8.458 1.350 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.786 9.443 0.004 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.752 11.355 0.824 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -16.145 10.509 1.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.768 11.401 3.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.773 9.704 3.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.424 10.524 2.677 1.00 0.00 H new ATOM 990 N PRO A 69 -15.990 5.184 -2.870 1.00 0.00 N ATOM 991 CA PRO A 69 -15.965 4.354 -4.078 1.00 0.00 C ATOM 992 C PRO A 69 -14.941 4.844 -5.096 1.00 0.00 C ATOM 993 O PRO A 69 -15.039 5.962 -5.600 1.00 0.00 O ATOM 994 CB PRO A 69 -17.383 4.493 -4.636 1.00 0.00 C ATOM 995 CG PRO A 69 -18.224 4.824 -3.452 1.00 0.00 C ATOM 996 CD PRO A 69 -17.353 5.645 -2.543 1.00 0.00 C ATOM 0 HA PRO A 69 -15.679 3.325 -3.859 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -17.436 5.277 -5.391 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.714 3.570 -5.111 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -19.113 5.381 -3.748 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -18.567 3.919 -2.951 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -17.472 6.713 -2.729 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -17.594 5.475 -1.494 1.00 0.00 H new ATOM 1004 N ASN A 70 -13.959 3.998 -5.392 1.00 0.00 N ATOM 1005 CA ASN A 70 -12.914 4.343 -6.350 1.00 0.00 C ATOM 1006 C ASN A 70 -12.103 5.542 -5.866 1.00 0.00 C ATOM 1007 O ASN A 70 -12.066 6.585 -6.519 1.00 0.00 O ATOM 1008 CB ASN A 70 -13.525 4.641 -7.721 1.00 0.00 C ATOM 1009 CG ASN A 70 -13.689 3.393 -8.566 1.00 0.00 C ATOM 1010 OD1 ASN A 70 -13.220 2.316 -8.200 1.00 0.00 O ATOM 1011 ND2 ASN A 70 -14.357 3.533 -9.705 1.00 0.00 N ATOM 0 H ASN A 70 -13.865 3.069 -4.982 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.243 3.489 -6.439 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -14.497 5.116 -7.587 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.893 5.354 -8.250 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.498 2.728 -10.316 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.729 4.445 -9.969 1.00 0.00 H new ATOM 1018 N TYR A 71 -11.453 5.385 -4.718 1.00 0.00 N ATOM 1019 CA TYR A 71 -10.640 6.453 -4.146 1.00 0.00 C ATOM 1020 C TYR A 71 -9.240 5.949 -3.808 1.00 0.00 C ATOM 1021 O TYR A 71 -8.242 6.589 -4.137 1.00 0.00 O ATOM 1022 CB TYR A 71 -11.307 7.017 -2.889 1.00 0.00 C ATOM 1023 CG TYR A 71 -12.212 8.197 -3.160 1.00 0.00 C ATOM 1024 CD1 TYR A 71 -13.284 8.089 -4.036 1.00 0.00 C ATOM 1025 CD2 TYR A 71 -11.992 9.421 -2.539 1.00 0.00 C ATOM 1026 CE1 TYR A 71 -14.113 9.166 -4.286 1.00 0.00 C ATOM 1027 CE2 TYR A 71 -12.817 10.503 -2.784 1.00 0.00 C ATOM 1028 CZ TYR A 71 -13.875 10.370 -3.657 1.00 0.00 C ATOM 1029 OH TYR A 71 -14.700 11.445 -3.903 1.00 0.00 O ATOM 0 H TYR A 71 -11.473 4.528 -4.165 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.554 7.246 -4.889 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.887 6.228 -2.411 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.534 7.318 -2.182 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.473 7.148 -4.530 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -11.164 9.528 -1.854 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.943 9.065 -4.970 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.633 11.448 -2.294 1.00 0.00 H new ATOM 0 HH TYR A 71 -14.396 12.217 -3.381 1.00 0.00 H new ATOM 1039 N GLY A 72 -9.176 4.796 -3.150 1.00 0.00 N ATOM 1040 CA GLY A 72 -7.895 4.225 -2.778 1.00 0.00 C ATOM 1041 C GLY A 72 -7.313 3.348 -3.869 1.00 0.00 C ATOM 1042 O GLY A 72 -7.951 3.117 -4.896 1.00 0.00 O ATOM 0 H GLY A 72 -9.988 4.247 -2.868 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.195 5.029 -2.550 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.013 3.637 -1.868 1.00 0.00 H new ATOM 1046 N VAL A 73 -6.098 2.857 -3.647 1.00 0.00 N ATOM 1047 CA VAL A 73 -5.430 2.002 -4.619 1.00 0.00 C ATOM 1048 C VAL A 73 -4.510 0.999 -3.930 1.00 0.00 C ATOM 1049 O VAL A 73 -3.924 1.293 -2.887 1.00 0.00 O ATOM 1050 CB VAL A 73 -4.606 2.829 -5.623 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -5.522 3.603 -6.558 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -3.660 3.768 -4.891 1.00 0.00 C ATOM 0 H VAL A 73 -5.556 3.037 -2.802 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.212 1.465 -5.156 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.008 2.145 -6.225 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.921 4.181 -7.260 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.153 2.906 -7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.150 4.278 -5.976 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.086 4.344 -5.616 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.236 4.447 -4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.979 3.187 -4.269 1.00 0.00 H new ATOM 1062 N LEU A 74 -4.389 -0.186 -4.518 1.00 0.00 N ATOM 1063 CA LEU A 74 -3.539 -1.234 -3.962 1.00 0.00 C ATOM 1064 C LEU A 74 -2.346 -1.507 -4.871 1.00 0.00 C ATOM 1065 O LEU A 74 -2.504 -1.996 -5.990 1.00 0.00 O ATOM 1066 CB LEU A 74 -4.346 -2.518 -3.758 1.00 0.00 C ATOM 1067 CG LEU A 74 -5.060 -2.627 -2.409 1.00 0.00 C ATOM 1068 CD1 LEU A 74 -6.442 -3.238 -2.582 1.00 0.00 C ATOM 1069 CD2 LEU A 74 -4.231 -3.449 -1.433 1.00 0.00 C ATOM 0 H LEU A 74 -4.869 -0.446 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.165 -0.891 -2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.089 -2.592 -4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.676 -3.371 -3.867 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.178 -1.623 -2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.933 -3.307 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.037 -2.611 -3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.348 -4.235 -3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.753 -3.516 -0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.081 -4.451 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.264 -2.970 -1.284 1.00 0.00 H new ATOM 1081 N VAL A 75 -1.152 -1.186 -4.385 1.00 0.00 N ATOM 1082 CA VAL A 75 0.069 -1.395 -5.154 1.00 0.00 C ATOM 1083 C VAL A 75 1.100 -2.179 -4.348 1.00 0.00 C ATOM 1084 O VAL A 75 0.952 -2.358 -3.139 1.00 0.00 O ATOM 1085 CB VAL A 75 0.690 -0.058 -5.598 1.00 0.00 C ATOM 1086 CG1 VAL A 75 -0.104 0.545 -6.746 1.00 0.00 C ATOM 1087 CG2 VAL A 75 0.768 0.910 -4.426 1.00 0.00 C ATOM 0 H VAL A 75 -1.004 -0.780 -3.461 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.210 -1.969 -6.038 1.00 0.00 H new ATOM 0 HB VAL A 75 1.704 -0.248 -5.950 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.350 1.489 -7.046 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.102 -0.143 -7.591 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.131 0.722 -6.425 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.210 1.849 -4.759 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.234 1.097 -4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.385 0.478 -3.638 1.00 0.00 H new ATOM 1097 N ARG A 76 2.145 -2.643 -5.026 1.00 0.00 N ATOM 1098 CA ARG A 76 3.200 -3.408 -4.374 1.00 0.00 C ATOM 1099 C ARG A 76 4.390 -2.515 -4.028 1.00 0.00 C ATOM 1100 O ARG A 76 4.612 -1.488 -4.664 1.00 0.00 O ATOM 1101 CB ARG A 76 3.657 -4.558 -5.276 1.00 0.00 C ATOM 1102 CG ARG A 76 2.902 -5.857 -5.036 1.00 0.00 C ATOM 1103 CD ARG A 76 3.851 -7.023 -4.806 1.00 0.00 C ATOM 1104 NE ARG A 76 3.434 -8.220 -5.533 1.00 0.00 N ATOM 1105 CZ ARG A 76 3.888 -9.442 -5.269 1.00 0.00 C ATOM 1106 NH1 ARG A 76 4.770 -9.635 -4.295 1.00 0.00 N ATOM 1107 NH2 ARG A 76 3.459 -10.476 -5.980 1.00 0.00 N ATOM 0 H ARG A 76 2.283 -2.502 -6.027 1.00 0.00 H new ATOM 0 HA ARG A 76 2.796 -3.818 -3.448 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.533 -4.263 -6.318 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.721 -4.732 -5.118 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.248 -5.744 -4.171 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.263 -6.071 -5.893 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.856 -6.740 -5.120 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.901 -7.245 -3.740 1.00 0.00 H new ATOM 0 HE ARG A 76 2.755 -8.112 -6.287 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.103 -8.844 -3.744 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.114 -10.575 -4.098 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.781 -10.334 -6.729 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.807 -11.413 -5.778 1.00 0.00 H new ATOM 1121 N PRO A 77 5.175 -2.900 -3.003 1.00 0.00 N ATOM 1122 CA PRO A 77 6.345 -2.131 -2.579 1.00 0.00 C ATOM 1123 C PRO A 77 7.191 -1.715 -3.771 1.00 0.00 C ATOM 1124 O PRO A 77 7.494 -0.538 -3.958 1.00 0.00 O ATOM 1125 CB PRO A 77 7.105 -3.114 -1.690 1.00 0.00 C ATOM 1126 CG PRO A 77 6.049 -4.001 -1.126 1.00 0.00 C ATOM 1127 CD PRO A 77 4.983 -4.114 -2.185 1.00 0.00 C ATOM 0 HA PRO A 77 6.082 -1.204 -2.069 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.837 -3.683 -2.263 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.651 -2.596 -0.902 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.456 -4.981 -0.878 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.641 -3.583 -0.206 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.102 -5.020 -2.779 1.00 0.00 H new ATOM 0 HD3 PRO A 77 3.985 -4.149 -1.747 1.00 0.00 H new ATOM 1135 N SER A 78 7.552 -2.700 -4.589 1.00 0.00 N ATOM 1136 CA SER A 78 8.341 -2.446 -5.782 1.00 0.00 C ATOM 1137 C SER A 78 7.635 -1.420 -6.658 1.00 0.00 C ATOM 1138 O SER A 78 8.267 -0.727 -7.454 1.00 0.00 O ATOM 1139 CB SER A 78 8.565 -3.742 -6.563 1.00 0.00 C ATOM 1140 OG SER A 78 7.386 -4.529 -6.595 1.00 0.00 O ATOM 0 H SER A 78 7.309 -3.680 -4.444 1.00 0.00 H new ATOM 0 HA SER A 78 9.313 -2.053 -5.483 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.877 -3.508 -7.581 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.374 -4.311 -6.105 1.00 0.00 H new ATOM 0 HG SER A 78 7.555 -5.351 -7.101 1.00 0.00 H new ATOM 1146 N ARG A 79 6.315 -1.317 -6.490 1.00 0.00 N ATOM 1147 CA ARG A 79 5.531 -0.360 -7.255 1.00 0.00 C ATOM 1148 C ARG A 79 5.492 0.991 -6.543 1.00 0.00 C ATOM 1149 O ARG A 79 5.064 1.990 -7.121 1.00 0.00 O ATOM 1150 CB ARG A 79 4.108 -0.880 -7.476 1.00 0.00 C ATOM 1151 CG ARG A 79 4.056 -2.214 -8.201 1.00 0.00 C ATOM 1152 CD ARG A 79 4.250 -2.041 -9.699 1.00 0.00 C ATOM 1153 NE ARG A 79 4.234 -3.320 -10.406 1.00 0.00 N ATOM 1154 CZ ARG A 79 3.122 -3.981 -10.719 1.00 0.00 C ATOM 1155 NH1 ARG A 79 1.934 -3.491 -10.387 1.00 0.00 N ATOM 1156 NH2 ARG A 79 3.199 -5.136 -11.365 1.00 0.00 N ATOM 0 H ARG A 79 5.775 -1.882 -5.835 1.00 0.00 H new ATOM 0 HA ARG A 79 6.008 -0.230 -8.227 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.612 -0.981 -6.510 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.545 -0.142 -8.048 1.00 0.00 H new ATOM 0 HG2 ARG A 79 4.829 -2.874 -7.807 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.097 -2.696 -8.010 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.463 -1.399 -10.094 1.00 0.00 H new ATOM 0 HD3 ARG A 79 5.198 -1.536 -9.886 1.00 0.00 H new ATOM 0 HE ARG A 79 5.128 -3.730 -10.676 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.870 -2.603 -9.889 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.085 -4.002 -10.630 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.110 -5.517 -11.622 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.348 -5.644 -11.605 1.00 0.00 H new ATOM 1170 N VAL A 80 5.946 1.020 -5.287 1.00 0.00 N ATOM 1171 CA VAL A 80 5.958 2.262 -4.519 1.00 0.00 C ATOM 1172 C VAL A 80 7.366 2.598 -4.036 1.00 0.00 C ATOM 1173 O VAL A 80 8.281 1.783 -4.141 1.00 0.00 O ATOM 1174 CB VAL A 80 5.009 2.192 -3.307 1.00 0.00 C ATOM 1175 CG1 VAL A 80 3.572 1.998 -3.765 1.00 0.00 C ATOM 1176 CG2 VAL A 80 5.428 1.081 -2.357 1.00 0.00 C ATOM 0 H VAL A 80 6.306 0.207 -4.787 1.00 0.00 H new ATOM 0 HA VAL A 80 5.611 3.048 -5.190 1.00 0.00 H new ATOM 0 HB VAL A 80 5.071 3.138 -2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.916 1.951 -2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.276 2.834 -4.398 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.492 1.069 -4.330 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.744 1.050 -1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.401 0.125 -2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.440 1.270 -2.000 1.00 0.00 H new ATOM 1186 N THR A 81 7.532 3.807 -3.508 1.00 0.00 N ATOM 1187 CA THR A 81 8.830 4.251 -3.012 1.00 0.00 C ATOM 1188 C THR A 81 8.670 5.398 -2.019 1.00 0.00 C ATOM 1189 O THR A 81 7.632 6.058 -1.979 1.00 0.00 O ATOM 1190 CB THR A 81 9.722 4.688 -4.174 1.00 0.00 C ATOM 1191 OG1 THR A 81 9.313 4.066 -5.381 1.00 0.00 O ATOM 1192 CG2 THR A 81 11.185 4.363 -3.963 1.00 0.00 C ATOM 0 H THR A 81 6.785 4.495 -3.413 1.00 0.00 H new ATOM 0 HA THR A 81 9.300 3.412 -2.498 1.00 0.00 H new ATOM 0 HB THR A 81 9.613 5.771 -4.230 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.895 4.359 -6.113 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.761 4.700 -4.825 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.544 4.868 -3.067 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.305 3.286 -3.845 1.00 0.00 H new