USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=16 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= 0.308 X(o=0.52,f=0.73) USER MOD Set 1.2: A 29 THR OG1 : rot -120:sc= 0.215 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0479 K(o=-0.048,f=-0.7) USER MOD Single : A 27 MET CE :methyl 179:sc= 0 (180deg=-0.0025) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -120:sc= -0.22 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.74 K(o=-1.7,f=-2.9!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 67:sc= 0.0408 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -108:sc= 0.882 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= -0.0239 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N LEU A 13 7.529 -0.460 5.532 1.00 0.00 N ATOM 143 CA LEU A 13 6.362 0.400 5.368 1.00 0.00 C ATOM 144 C LEU A 13 5.283 0.052 6.388 1.00 0.00 C ATOM 145 O LEU A 13 4.573 -0.943 6.240 1.00 0.00 O ATOM 146 CB LEU A 13 5.803 0.270 3.951 1.00 0.00 C ATOM 147 CG LEU A 13 6.659 0.906 2.855 1.00 0.00 C ATOM 148 CD1 LEU A 13 6.067 0.625 1.483 1.00 0.00 C ATOM 149 CD2 LEU A 13 6.791 2.404 3.085 1.00 0.00 C ATOM 0 HA LEU A 13 6.674 1.431 5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.676 -0.788 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.812 0.723 3.925 1.00 0.00 H new ATOM 0 HG LEU A 13 7.654 0.463 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.690 1.086 0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.026 -0.452 1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.060 1.039 1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.403 2.841 2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.802 2.863 3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.262 2.584 4.051 1.00 0.00 H new ATOM 161 N HIS A 14 5.163 0.877 7.423 1.00 0.00 N ATOM 162 CA HIS A 14 4.170 0.656 8.467 1.00 0.00 C ATOM 163 C HIS A 14 2.946 1.542 8.249 1.00 0.00 C ATOM 164 O HIS A 14 2.860 2.266 7.257 1.00 0.00 O ATOM 165 CB HIS A 14 4.777 0.931 9.845 1.00 0.00 C ATOM 166 CG HIS A 14 5.121 -0.312 10.605 1.00 0.00 C ATOM 167 ND1 HIS A 14 4.184 -1.183 11.116 1.00 0.00 N ATOM 168 CD2 HIS A 14 6.331 -0.828 10.937 1.00 0.00 C ATOM 169 CE1 HIS A 14 4.840 -2.177 11.730 1.00 0.00 C ATOM 170 NE2 HIS A 14 6.145 -2.009 11.649 1.00 0.00 N ATOM 0 H HIS A 14 5.742 1.705 7.561 1.00 0.00 H new ATOM 0 HA HIS A 14 3.854 -0.386 8.420 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.677 1.534 9.723 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.074 1.523 10.431 1.00 0.00 H new ATOM 0 HD2 HIS A 14 7.287 -0.391 10.688 1.00 0.00 H new ATOM 0 HE1 HIS A 14 4.362 -3.008 12.227 1.00 0.00 H new ATOM 0 HE2 HIS A 14 6.869 -2.619 12.030 1.00 0.00 H new ATOM 178 N GLU A 15 2.002 1.478 9.182 1.00 0.00 N ATOM 179 CA GLU A 15 0.783 2.275 9.091 1.00 0.00 C ATOM 180 C GLU A 15 1.060 3.732 9.445 1.00 0.00 C ATOM 181 O GLU A 15 1.282 4.069 10.608 1.00 0.00 O ATOM 182 CB GLU A 15 -0.292 1.708 10.020 1.00 0.00 C ATOM 183 CG GLU A 15 -0.433 0.197 9.936 1.00 0.00 C ATOM 184 CD GLU A 15 -1.525 -0.337 10.843 1.00 0.00 C ATOM 185 OE1 GLU A 15 -1.255 -0.529 12.047 1.00 0.00 O ATOM 186 OE2 GLU A 15 -2.649 -0.564 10.349 1.00 0.00 O ATOM 0 H GLU A 15 2.057 0.883 10.009 1.00 0.00 H new ATOM 0 HA GLU A 15 0.425 2.231 8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.056 1.986 11.047 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.250 2.168 9.777 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.649 -0.088 8.906 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.516 -0.268 10.203 1.00 0.00 H new ATOM 193 N GLY A 16 1.043 4.595 8.434 1.00 0.00 N ATOM 194 CA GLY A 16 1.292 6.007 8.657 1.00 0.00 C ATOM 195 C GLY A 16 2.551 6.492 7.965 1.00 0.00 C ATOM 196 O GLY A 16 3.345 7.227 8.551 1.00 0.00 O ATOM 0 H GLY A 16 0.861 4.341 7.463 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.439 6.584 8.299 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.375 6.193 9.728 1.00 0.00 H new ATOM 200 N SER A 17 2.733 6.079 6.715 1.00 0.00 N ATOM 201 CA SER A 17 3.904 6.476 5.941 1.00 0.00 C ATOM 202 C SER A 17 3.491 7.178 4.652 1.00 0.00 C ATOM 203 O SER A 17 2.310 7.224 4.310 1.00 0.00 O ATOM 204 CB SER A 17 4.766 5.253 5.617 1.00 0.00 C ATOM 205 OG SER A 17 5.341 4.709 6.793 1.00 0.00 O ATOM 0 H SER A 17 2.085 5.470 6.216 1.00 0.00 H new ATOM 0 HA SER A 17 4.487 7.173 6.542 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.158 4.496 5.122 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.555 5.534 4.919 1.00 0.00 H new ATOM 0 HG SER A 17 5.885 3.928 6.560 1.00 0.00 H new ATOM 211 N GLN A 18 4.473 7.723 3.940 1.00 0.00 N ATOM 212 CA GLN A 18 4.212 8.423 2.688 1.00 0.00 C ATOM 213 C GLN A 18 4.974 7.780 1.534 1.00 0.00 C ATOM 214 O GLN A 18 6.192 7.615 1.598 1.00 0.00 O ATOM 215 CB GLN A 18 4.601 9.897 2.812 1.00 0.00 C ATOM 216 CG GLN A 18 3.709 10.683 3.759 1.00 0.00 C ATOM 217 CD GLN A 18 2.329 10.937 3.183 1.00 0.00 C ATOM 218 OE1 GLN A 18 2.081 11.973 2.567 1.00 0.00 O ATOM 219 NE2 GLN A 18 1.423 9.987 3.383 1.00 0.00 N ATOM 0 H GLN A 18 5.456 7.693 4.209 1.00 0.00 H new ATOM 0 HA GLN A 18 3.145 8.352 2.479 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.633 9.964 3.158 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.565 10.358 1.825 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.612 10.138 4.698 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.183 11.637 3.992 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.673 9.144 3.900 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.477 10.100 3.020 1.00 0.00 H new ATOM 228 N VAL A 19 4.250 7.418 0.481 1.00 0.00 N ATOM 229 CA VAL A 19 4.858 6.793 -0.686 1.00 0.00 C ATOM 230 C VAL A 19 4.273 7.355 -1.978 1.00 0.00 C ATOM 231 O VAL A 19 3.113 7.764 -2.020 1.00 0.00 O ATOM 232 CB VAL A 19 4.664 5.266 -0.673 1.00 0.00 C ATOM 233 CG1 VAL A 19 5.448 4.638 0.470 1.00 0.00 C ATOM 234 CG2 VAL A 19 3.188 4.915 -0.572 1.00 0.00 C ATOM 0 H VAL A 19 3.241 7.547 0.412 1.00 0.00 H new ATOM 0 HA VAL A 19 5.924 7.017 -0.643 1.00 0.00 H new ATOM 0 HB VAL A 19 5.046 4.862 -1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.299 3.558 0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.508 4.859 0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.099 5.047 1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.071 3.831 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.777 5.331 0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.656 5.331 -1.427 1.00 0.00 H new ATOM 244 N LEU A 20 5.085 7.372 -3.030 1.00 0.00 N ATOM 245 CA LEU A 20 4.648 7.882 -4.325 1.00 0.00 C ATOM 246 C LEU A 20 4.595 6.764 -5.360 1.00 0.00 C ATOM 247 O LEU A 20 5.395 5.829 -5.320 1.00 0.00 O ATOM 248 CB LEU A 20 5.587 8.993 -4.802 1.00 0.00 C ATOM 249 CG LEU A 20 5.183 9.658 -6.118 1.00 0.00 C ATOM 250 CD1 LEU A 20 4.251 10.831 -5.859 1.00 0.00 C ATOM 251 CD2 LEU A 20 6.417 10.114 -6.884 1.00 0.00 C ATOM 0 H LEU A 20 6.049 7.039 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 20 3.644 8.290 -4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.643 9.758 -4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.589 8.578 -4.914 1.00 0.00 H new ATOM 0 HG LEU A 20 4.651 8.926 -6.726 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.974 11.292 -6.807 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.353 10.477 -5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.756 11.566 -5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.112 10.585 -7.818 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.975 10.831 -6.281 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.049 9.253 -7.101 1.00 0.00 H new ATOM 263 N LEU A 21 3.649 6.867 -6.287 1.00 0.00 N ATOM 264 CA LEU A 21 3.492 5.864 -7.335 1.00 0.00 C ATOM 265 C LEU A 21 4.266 6.259 -8.588 1.00 0.00 C ATOM 266 O LEU A 21 4.002 7.298 -9.191 1.00 0.00 O ATOM 267 CB LEU A 21 2.012 5.678 -7.673 1.00 0.00 C ATOM 268 CG LEU A 21 1.109 5.361 -6.479 1.00 0.00 C ATOM 269 CD1 LEU A 21 -0.311 5.836 -6.743 1.00 0.00 C ATOM 270 CD2 LEU A 21 1.127 3.870 -6.180 1.00 0.00 C ATOM 0 H LEU A 21 2.979 7.635 -6.334 1.00 0.00 H new ATOM 0 HA LEU A 21 3.895 4.921 -6.964 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.648 6.586 -8.153 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.920 4.873 -8.402 1.00 0.00 H new ATOM 0 HG LEU A 21 1.491 5.892 -5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.939 5.602 -5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.309 6.913 -6.909 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.704 5.334 -7.627 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.480 3.662 -5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.769 3.320 -7.050 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.145 3.558 -5.947 1.00 0.00 H new ATOM 282 N THR A 22 5.224 5.421 -8.974 1.00 0.00 N ATOM 283 CA THR A 22 6.037 5.683 -10.156 1.00 0.00 C ATOM 284 C THR A 22 5.171 5.740 -11.411 1.00 0.00 C ATOM 285 O THR A 22 5.487 6.453 -12.364 1.00 0.00 O ATOM 286 CB THR A 22 7.110 4.605 -10.312 1.00 0.00 C ATOM 287 OG1 THR A 22 6.522 3.317 -10.369 1.00 0.00 O ATOM 288 CG2 THR A 22 8.121 4.599 -9.186 1.00 0.00 C ATOM 0 H THR A 22 5.456 4.556 -8.486 1.00 0.00 H new ATOM 0 HA THR A 22 6.521 6.651 -10.026 1.00 0.00 H new ATOM 0 HB THR A 22 7.627 4.845 -11.241 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.224 2.641 -10.471 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.853 3.810 -9.359 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.628 5.563 -9.147 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.611 4.419 -8.240 1.00 0.00 H new ATOM 296 N SER A 23 4.078 4.983 -11.405 1.00 0.00 N ATOM 297 CA SER A 23 3.167 4.947 -12.543 1.00 0.00 C ATOM 298 C SER A 23 2.134 6.066 -12.451 1.00 0.00 C ATOM 299 O SER A 23 2.121 6.982 -13.273 1.00 0.00 O ATOM 300 CB SER A 23 2.464 3.589 -12.618 1.00 0.00 C ATOM 301 OG SER A 23 2.671 2.977 -13.879 1.00 0.00 O ATOM 0 H SER A 23 3.802 4.387 -10.625 1.00 0.00 H new ATOM 0 HA SER A 23 3.753 5.095 -13.450 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.839 2.938 -11.828 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.396 3.719 -12.444 1.00 0.00 H new ATOM 0 HG SER A 23 2.214 2.111 -13.901 1.00 0.00 H new ATOM 307 N SER A 24 1.269 5.986 -11.445 1.00 0.00 N ATOM 308 CA SER A 24 0.231 6.992 -11.245 1.00 0.00 C ATOM 309 C SER A 24 0.846 8.375 -11.043 1.00 0.00 C ATOM 310 O SER A 24 0.232 9.390 -11.370 1.00 0.00 O ATOM 311 CB SER A 24 -0.641 6.623 -10.043 1.00 0.00 C ATOM 312 OG SER A 24 -1.996 6.462 -10.426 1.00 0.00 O ATOM 0 H SER A 24 1.266 5.235 -10.755 1.00 0.00 H new ATOM 0 HA SER A 24 -0.392 7.020 -12.139 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.275 5.700 -9.594 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.565 7.400 -9.282 1.00 0.00 H new ATOM 0 HG SER A 24 -2.532 6.225 -9.641 1.00 0.00 H new ATOM 318 N ASN A 25 2.059 8.405 -10.499 1.00 0.00 N ATOM 319 CA ASN A 25 2.755 9.663 -10.251 1.00 0.00 C ATOM 320 C ASN A 25 1.997 10.512 -9.236 1.00 0.00 C ATOM 321 O ASN A 25 1.913 11.734 -9.371 1.00 0.00 O ATOM 322 CB ASN A 25 2.930 10.442 -11.558 1.00 0.00 C ATOM 323 CG ASN A 25 4.067 11.442 -11.485 1.00 0.00 C ATOM 324 OD1 ASN A 25 5.139 11.145 -10.959 1.00 0.00 O ATOM 325 ND2 ASN A 25 3.838 12.638 -12.018 1.00 0.00 N ATOM 0 H ASN A 25 2.580 7.573 -10.222 1.00 0.00 H new ATOM 0 HA ASN A 25 3.738 9.431 -9.842 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.116 9.742 -12.373 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.003 10.966 -11.793 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.566 13.352 -12.001 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.934 12.842 -12.444 1.00 0.00 H new ATOM 332 N GLU A 26 1.445 9.857 -8.220 1.00 0.00 N ATOM 333 CA GLU A 26 0.694 10.550 -7.181 1.00 0.00 C ATOM 334 C GLU A 26 1.010 9.976 -5.805 1.00 0.00 C ATOM 335 O GLU A 26 1.122 8.761 -5.638 1.00 0.00 O ATOM 336 CB GLU A 26 -0.808 10.449 -7.455 1.00 0.00 C ATOM 337 CG GLU A 26 -1.353 11.597 -8.291 1.00 0.00 C ATOM 338 CD GLU A 26 -1.763 12.787 -7.448 1.00 0.00 C ATOM 339 OE1 GLU A 26 -2.358 12.575 -6.370 1.00 0.00 O ATOM 340 OE2 GLU A 26 -1.490 13.933 -7.864 1.00 0.00 O ATOM 0 H GLU A 26 1.504 8.846 -8.094 1.00 0.00 H new ATOM 0 HA GLU A 26 0.990 11.599 -7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.013 9.509 -7.967 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.341 10.418 -6.505 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.596 11.909 -9.010 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.212 11.249 -8.864 1.00 0.00 H new ATOM 347 N MET A 27 1.154 10.857 -4.819 1.00 0.00 N ATOM 348 CA MET A 27 1.457 10.437 -3.457 1.00 0.00 C ATOM 349 C MET A 27 0.276 9.695 -2.841 1.00 0.00 C ATOM 350 O MET A 27 -0.867 9.863 -3.269 1.00 0.00 O ATOM 351 CB MET A 27 1.819 11.649 -2.595 1.00 0.00 C ATOM 352 CG MET A 27 2.910 12.518 -3.197 1.00 0.00 C ATOM 353 SD MET A 27 2.844 14.221 -2.608 1.00 0.00 S ATOM 354 CE MET A 27 3.245 13.997 -0.878 1.00 0.00 C ATOM 0 H MET A 27 1.065 11.866 -4.939 1.00 0.00 H new ATOM 0 HA MET A 27 2.310 9.759 -3.494 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.926 12.255 -2.442 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.142 11.303 -1.613 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.884 12.091 -2.956 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.818 12.509 -4.283 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.261 14.966 -0.380 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.494 13.361 -0.410 1.00 0.00 H new ATOM 0 HE3 MET A 27 4.225 13.527 -0.789 1.00 0.00 H new ATOM 364 N ALA A 28 0.558 8.875 -1.834 1.00 0.00 N ATOM 365 CA ALA A 28 -0.483 8.108 -1.160 1.00 0.00 C ATOM 366 C ALA A 28 -0.051 7.719 0.250 1.00 0.00 C ATOM 367 O ALA A 28 1.134 7.518 0.514 1.00 0.00 O ATOM 368 CB ALA A 28 -0.831 6.867 -1.968 1.00 0.00 C ATOM 0 H ALA A 28 1.498 8.725 -1.467 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.370 8.737 -1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.609 6.304 -1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.189 7.163 -2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.056 6.243 -2.077 1.00 0.00 H new ATOM 374 N THR A 29 -1.020 7.616 1.152 1.00 0.00 N ATOM 375 CA THR A 29 -0.742 7.254 2.536 1.00 0.00 C ATOM 376 C THR A 29 -0.949 5.762 2.761 1.00 0.00 C ATOM 377 O THR A 29 -1.929 5.183 2.293 1.00 0.00 O ATOM 378 CB THR A 29 -1.634 8.053 3.486 1.00 0.00 C ATOM 379 OG1 THR A 29 -1.550 9.439 3.205 1.00 0.00 O ATOM 380 CG2 THR A 29 -1.282 7.858 4.945 1.00 0.00 C ATOM 0 H THR A 29 -2.006 7.778 0.949 1.00 0.00 H new ATOM 0 HA THR A 29 0.301 7.493 2.743 1.00 0.00 H new ATOM 0 HB THR A 29 -2.643 7.676 3.320 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.222 9.914 3.997 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.953 8.453 5.564 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.385 6.805 5.207 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.253 8.175 5.117 1.00 0.00 H new ATOM 388 N VAL A 30 -0.018 5.146 3.482 1.00 0.00 N ATOM 389 CA VAL A 30 -0.099 3.721 3.769 1.00 0.00 C ATOM 390 C VAL A 30 -1.015 3.451 4.958 1.00 0.00 C ATOM 391 O VAL A 30 -0.806 3.981 6.049 1.00 0.00 O ATOM 392 CB VAL A 30 1.291 3.126 4.061 1.00 0.00 C ATOM 393 CG1 VAL A 30 1.213 1.610 4.163 1.00 0.00 C ATOM 394 CG2 VAL A 30 2.287 3.545 2.991 1.00 0.00 C ATOM 0 H VAL A 30 0.799 5.611 3.877 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.511 3.243 2.880 1.00 0.00 H new ATOM 0 HB VAL A 30 1.638 3.514 5.019 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.205 1.208 4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.534 1.334 4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.844 1.201 3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.263 3.115 3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.948 3.189 2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.365 4.632 2.972 1.00 0.00 H new ATOM 404 N ARG A 31 -2.032 2.625 4.739 1.00 0.00 N ATOM 405 CA ARG A 31 -2.981 2.284 5.792 1.00 0.00 C ATOM 406 C ARG A 31 -2.826 0.827 6.217 1.00 0.00 C ATOM 407 O ARG A 31 -2.751 0.522 7.406 1.00 0.00 O ATOM 408 CB ARG A 31 -4.413 2.542 5.320 1.00 0.00 C ATOM 409 CG ARG A 31 -4.657 3.973 4.871 1.00 0.00 C ATOM 410 CD ARG A 31 -5.102 4.851 6.030 1.00 0.00 C ATOM 411 NE ARG A 31 -6.409 4.454 6.548 1.00 0.00 N ATOM 412 CZ ARG A 31 -7.174 5.233 7.308 1.00 0.00 C ATOM 413 NH1 ARG A 31 -6.768 6.453 7.640 1.00 0.00 N ATOM 414 NH2 ARG A 31 -8.350 4.793 7.735 1.00 0.00 N ATOM 0 H ARG A 31 -2.220 2.179 3.841 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.771 2.917 6.654 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.642 1.867 4.495 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.102 2.301 6.129 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.745 4.379 4.434 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.417 3.986 4.090 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.364 4.797 6.830 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.142 5.890 5.703 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.756 3.524 6.313 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.866 6.797 7.312 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.359 7.046 8.223 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.668 3.858 7.481 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.937 5.390 8.318 1.00 0.00 H new ATOM 428 N TYR A 32 -2.778 -0.067 5.236 1.00 0.00 N ATOM 429 CA TYR A 32 -2.631 -1.493 5.508 1.00 0.00 C ATOM 430 C TYR A 32 -1.363 -2.042 4.861 1.00 0.00 C ATOM 431 O TYR A 32 -1.036 -1.699 3.725 1.00 0.00 O ATOM 432 CB TYR A 32 -3.851 -2.261 4.997 1.00 0.00 C ATOM 433 CG TYR A 32 -4.133 -3.531 5.770 1.00 0.00 C ATOM 434 CD1 TYR A 32 -3.319 -4.647 5.629 1.00 0.00 C ATOM 435 CD2 TYR A 32 -5.212 -3.610 6.641 1.00 0.00 C ATOM 436 CE1 TYR A 32 -3.572 -5.808 6.334 1.00 0.00 C ATOM 437 CE2 TYR A 32 -5.471 -4.768 7.349 1.00 0.00 C ATOM 438 CZ TYR A 32 -4.649 -5.864 7.193 1.00 0.00 C ATOM 439 OH TYR A 32 -4.905 -7.018 7.896 1.00 0.00 O ATOM 0 H TYR A 32 -2.839 0.170 4.246 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.554 -1.625 6.587 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.726 -1.613 5.048 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.699 -2.511 3.947 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.474 -4.607 4.957 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.858 -2.754 6.767 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.929 -6.667 6.213 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.314 -4.814 8.022 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.699 -6.890 8.457 1.00 0.00 H new ATOM 449 N VAL A 33 -0.654 -2.895 5.592 1.00 0.00 N ATOM 450 CA VAL A 33 0.578 -3.491 5.089 1.00 0.00 C ATOM 451 C VAL A 33 0.688 -4.956 5.498 1.00 0.00 C ATOM 452 O VAL A 33 0.828 -5.273 6.679 1.00 0.00 O ATOM 453 CB VAL A 33 1.817 -2.733 5.601 1.00 0.00 C ATOM 454 CG1 VAL A 33 3.076 -3.240 4.914 1.00 0.00 C ATOM 455 CG2 VAL A 33 1.651 -1.236 5.389 1.00 0.00 C ATOM 0 H VAL A 33 -0.911 -3.189 6.534 1.00 0.00 H new ATOM 0 HA VAL A 33 0.542 -3.422 4.002 1.00 0.00 H new ATOM 0 HB VAL A 33 1.917 -2.917 6.671 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.941 -2.692 5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.201 -4.303 5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.989 -3.089 3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.536 -0.716 5.757 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.525 -1.031 4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.773 -0.887 5.932 1.00 0.00 H new ATOM 465 N GLY A 34 0.624 -5.847 4.513 1.00 0.00 N ATOM 466 CA GLY A 34 0.719 -7.268 4.790 1.00 0.00 C ATOM 467 C GLY A 34 0.136 -8.117 3.675 1.00 0.00 C ATOM 468 O GLY A 34 -0.335 -7.585 2.669 1.00 0.00 O ATOM 0 H GLY A 34 0.508 -5.610 3.528 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.765 -7.537 4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.198 -7.489 5.721 1.00 0.00 H new ATOM 472 N PRO A 35 0.155 -9.453 3.824 1.00 0.00 N ATOM 473 CA PRO A 35 -0.379 -10.370 2.812 1.00 0.00 C ATOM 474 C PRO A 35 -1.806 -10.016 2.406 1.00 0.00 C ATOM 475 O PRO A 35 -2.531 -9.359 3.153 1.00 0.00 O ATOM 476 CB PRO A 35 -0.344 -11.731 3.508 1.00 0.00 C ATOM 477 CG PRO A 35 0.729 -11.606 4.533 1.00 0.00 C ATOM 478 CD PRO A 35 0.698 -10.174 4.992 1.00 0.00 C ATOM 0 HA PRO A 35 0.198 -10.336 1.888 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.304 -11.965 3.967 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.125 -12.531 2.801 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.554 -12.287 5.366 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.702 -11.860 4.113 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.067 -10.047 5.872 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.692 -9.816 5.259 1.00 0.00 H new ATOM 486 N THR A 36 -2.204 -10.458 1.217 1.00 0.00 N ATOM 487 CA THR A 36 -3.545 -10.189 0.710 1.00 0.00 C ATOM 488 C THR A 36 -4.303 -11.489 0.462 1.00 0.00 C ATOM 489 O THR A 36 -3.792 -12.578 0.726 1.00 0.00 O ATOM 490 CB THR A 36 -3.471 -9.374 -0.582 1.00 0.00 C ATOM 491 OG1 THR A 36 -2.772 -10.088 -1.586 1.00 0.00 O ATOM 492 CG2 THR A 36 -2.785 -8.036 -0.407 1.00 0.00 C ATOM 0 H THR A 36 -1.617 -11.004 0.587 1.00 0.00 H new ATOM 0 HA THR A 36 -4.083 -9.614 1.464 1.00 0.00 H new ATOM 0 HB THR A 36 -4.507 -9.197 -0.872 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.983 -9.576 -1.862 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.766 -7.509 -1.361 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.330 -7.441 0.326 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.764 -8.193 -0.059 1.00 0.00 H new ATOM 500 N ASP A 37 -5.524 -11.368 -0.048 1.00 0.00 N ATOM 501 CA ASP A 37 -6.353 -12.533 -0.333 1.00 0.00 C ATOM 502 C ASP A 37 -6.461 -12.769 -1.836 1.00 0.00 C ATOM 503 O ASP A 37 -6.231 -13.879 -2.318 1.00 0.00 O ATOM 504 CB ASP A 37 -7.747 -12.353 0.268 1.00 0.00 C ATOM 505 CG ASP A 37 -8.345 -13.663 0.746 1.00 0.00 C ATOM 506 OD1 ASP A 37 -8.807 -14.450 -0.107 1.00 0.00 O ATOM 507 OD2 ASP A 37 -8.351 -13.901 1.972 1.00 0.00 O ATOM 0 H ASP A 37 -5.961 -10.474 -0.272 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.880 -13.404 0.120 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.692 -11.656 1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.406 -11.906 -0.477 1.00 0.00 H new ATOM 512 N PHE A 38 -6.811 -11.719 -2.571 1.00 0.00 N ATOM 513 CA PHE A 38 -6.950 -11.813 -4.020 1.00 0.00 C ATOM 514 C PHE A 38 -5.587 -11.976 -4.687 1.00 0.00 C ATOM 515 O PHE A 38 -5.430 -12.770 -5.615 1.00 0.00 O ATOM 516 CB PHE A 38 -7.653 -10.569 -4.567 1.00 0.00 C ATOM 517 CG PHE A 38 -6.890 -9.296 -4.329 1.00 0.00 C ATOM 518 CD1 PHE A 38 -7.059 -8.582 -3.154 1.00 0.00 C ATOM 519 CD2 PHE A 38 -6.005 -8.816 -5.280 1.00 0.00 C ATOM 520 CE1 PHE A 38 -6.358 -7.412 -2.931 1.00 0.00 C ATOM 521 CE2 PHE A 38 -5.302 -7.646 -5.063 1.00 0.00 C ATOM 522 CZ PHE A 38 -5.479 -6.944 -3.888 1.00 0.00 C ATOM 0 H PHE A 38 -7.004 -10.794 -2.188 1.00 0.00 H new ATOM 0 HA PHE A 38 -7.553 -12.692 -4.247 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -7.812 -10.693 -5.638 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.637 -10.485 -4.106 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.746 -8.944 -2.404 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.863 -9.362 -6.201 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.497 -6.865 -2.010 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.615 -7.281 -5.812 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.931 -6.029 -3.717 1.00 0.00 H new ATOM 532 N ALA A 39 -4.605 -11.220 -4.207 1.00 0.00 N ATOM 533 CA ALA A 39 -3.256 -11.282 -4.757 1.00 0.00 C ATOM 534 C ALA A 39 -2.363 -12.194 -3.922 1.00 0.00 C ATOM 535 O ALA A 39 -2.808 -12.779 -2.934 1.00 0.00 O ATOM 536 CB ALA A 39 -2.656 -9.886 -4.839 1.00 0.00 C ATOM 0 H ALA A 39 -4.718 -10.558 -3.439 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.319 -11.700 -5.762 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.649 -9.947 -5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.275 -9.261 -5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.614 -9.449 -3.841 1.00 0.00 H new ATOM 542 N SER A 40 -1.102 -12.310 -4.325 1.00 0.00 N ATOM 543 CA SER A 40 -0.147 -13.152 -3.614 1.00 0.00 C ATOM 544 C SER A 40 1.176 -12.421 -3.409 1.00 0.00 C ATOM 545 O SER A 40 1.889 -12.128 -4.370 1.00 0.00 O ATOM 546 CB SER A 40 0.089 -14.454 -4.381 1.00 0.00 C ATOM 547 OG SER A 40 0.241 -15.549 -3.495 1.00 0.00 O ATOM 0 H SER A 40 -0.718 -11.832 -5.140 1.00 0.00 H new ATOM 0 HA SER A 40 -0.567 -13.387 -2.636 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.748 -14.640 -5.053 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.980 -14.358 -5.001 1.00 0.00 H new ATOM 0 HG SER A 40 0.389 -16.369 -4.011 1.00 0.00 H new ATOM 553 N GLY A 41 1.498 -12.130 -2.154 1.00 0.00 N ATOM 554 CA GLY A 41 2.735 -11.435 -1.847 1.00 0.00 C ATOM 555 C GLY A 41 2.542 -10.335 -0.822 1.00 0.00 C ATOM 556 O GLY A 41 1.857 -10.527 0.183 1.00 0.00 O ATOM 0 H GLY A 41 0.925 -12.363 -1.343 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.468 -12.151 -1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.145 -11.007 -2.762 1.00 0.00 H new ATOM 560 N ILE A 42 3.149 -9.180 -1.075 1.00 0.00 N ATOM 561 CA ILE A 42 3.042 -8.046 -0.166 1.00 0.00 C ATOM 562 C ILE A 42 2.429 -6.837 -0.864 1.00 0.00 C ATOM 563 O ILE A 42 2.924 -6.388 -1.899 1.00 0.00 O ATOM 564 CB ILE A 42 4.418 -7.651 0.405 1.00 0.00 C ATOM 565 CG1 ILE A 42 5.150 -8.885 0.934 1.00 0.00 C ATOM 566 CG2 ILE A 42 4.257 -6.612 1.504 1.00 0.00 C ATOM 567 CD1 ILE A 42 6.630 -8.661 1.155 1.00 0.00 C ATOM 0 H ILE A 42 3.720 -9.005 -1.902 1.00 0.00 H new ATOM 0 HA ILE A 42 2.393 -8.358 0.652 1.00 0.00 H new ATOM 0 HB ILE A 42 5.015 -7.215 -0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.693 -9.193 1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.016 -9.706 0.230 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.237 -6.343 1.897 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.773 -5.724 1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.645 -7.023 2.306 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.085 -9.578 1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.101 -8.382 0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.772 -7.861 1.882 1.00 0.00 H new ATOM 579 N TRP A 43 1.350 -6.314 -0.293 1.00 0.00 N ATOM 580 CA TRP A 43 0.668 -5.156 -0.860 1.00 0.00 C ATOM 581 C TRP A 43 0.484 -4.065 0.191 1.00 0.00 C ATOM 582 O TRP A 43 0.719 -4.288 1.379 1.00 0.00 O ATOM 583 CB TRP A 43 -0.691 -5.565 -1.431 1.00 0.00 C ATOM 584 CG TRP A 43 -0.591 -6.566 -2.543 1.00 0.00 C ATOM 585 CD1 TRP A 43 -0.241 -7.881 -2.432 1.00 0.00 C ATOM 586 CD2 TRP A 43 -0.845 -6.332 -3.933 1.00 0.00 C ATOM 587 NE1 TRP A 43 -0.261 -8.480 -3.669 1.00 0.00 N ATOM 588 CE2 TRP A 43 -0.629 -7.550 -4.606 1.00 0.00 C ATOM 589 CE3 TRP A 43 -1.234 -5.213 -4.673 1.00 0.00 C ATOM 590 CZ2 TRP A 43 -0.789 -7.677 -5.984 1.00 0.00 C ATOM 591 CZ3 TRP A 43 -1.392 -5.341 -6.040 1.00 0.00 C ATOM 592 CH2 TRP A 43 -1.172 -6.565 -6.683 1.00 0.00 C ATOM 0 H TRP A 43 0.928 -6.674 0.563 1.00 0.00 H new ATOM 0 HA TRP A 43 1.287 -4.760 -1.665 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.303 -5.981 -0.631 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.206 -4.677 -1.797 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.014 -8.378 -1.508 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.038 -9.457 -3.859 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.408 -4.265 -4.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.617 -8.619 -6.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.690 -4.482 -6.622 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.307 -6.633 -7.752 1.00 0.00 H new ATOM 603 N LEU A 44 0.060 -2.887 -0.254 1.00 0.00 N ATOM 604 CA LEU A 44 -0.156 -1.762 0.648 1.00 0.00 C ATOM 605 C LEU A 44 -1.496 -1.089 0.370 1.00 0.00 C ATOM 606 O LEU A 44 -1.757 -0.643 -0.747 1.00 0.00 O ATOM 607 CB LEU A 44 0.978 -0.744 0.510 1.00 0.00 C ATOM 608 CG LEU A 44 2.380 -1.346 0.408 1.00 0.00 C ATOM 609 CD1 LEU A 44 3.309 -0.410 -0.350 1.00 0.00 C ATOM 610 CD2 LEU A 44 2.933 -1.642 1.794 1.00 0.00 C ATOM 0 H LEU A 44 -0.141 -2.687 -1.234 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.168 -2.146 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.795 -0.137 -0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.949 -0.072 1.368 1.00 0.00 H new ATOM 0 HG LEU A 44 2.314 -2.284 -0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.302 -0.855 -0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.920 -0.247 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.371 0.544 0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.931 -2.070 1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.985 -0.718 2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.279 -2.350 2.303 1.00 0.00 H new ATOM 622 N GLY A 45 -2.343 -1.020 1.392 1.00 0.00 N ATOM 623 CA GLY A 45 -3.645 -0.400 1.236 1.00 0.00 C ATOM 624 C GLY A 45 -3.573 1.114 1.255 1.00 0.00 C ATOM 625 O GLY A 45 -3.941 1.747 2.243 1.00 0.00 O ATOM 0 H GLY A 45 -2.150 -1.383 2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.090 -0.728 0.296 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.304 -0.739 2.036 1.00 0.00 H new ATOM 629 N LEU A 46 -3.096 1.695 0.158 1.00 0.00 N ATOM 630 CA LEU A 46 -2.975 3.145 0.052 1.00 0.00 C ATOM 631 C LEU A 46 -4.350 3.807 0.038 1.00 0.00 C ATOM 632 O LEU A 46 -5.349 3.178 -0.311 1.00 0.00 O ATOM 633 CB LEU A 46 -2.203 3.522 -1.213 1.00 0.00 C ATOM 634 CG LEU A 46 -0.778 2.972 -1.290 1.00 0.00 C ATOM 635 CD1 LEU A 46 -0.119 3.376 -2.600 1.00 0.00 C ATOM 636 CD2 LEU A 46 0.046 3.459 -0.107 1.00 0.00 C ATOM 0 H LEU A 46 -2.787 1.184 -0.669 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.428 3.503 0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.760 3.167 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.161 4.609 -1.284 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.828 1.884 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.894 2.975 -2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.696 2.979 -3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.082 4.463 -2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.057 3.058 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.086 4.548 -0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.414 3.120 0.821 1.00 0.00 H new ATOM 648 N GLU A 47 -4.391 5.080 0.417 1.00 0.00 N ATOM 649 CA GLU A 47 -5.643 5.828 0.447 1.00 0.00 C ATOM 650 C GLU A 47 -5.443 7.242 -0.089 1.00 0.00 C ATOM 651 O GLU A 47 -4.960 8.123 0.622 1.00 0.00 O ATOM 652 CB GLU A 47 -6.197 5.883 1.871 1.00 0.00 C ATOM 653 CG GLU A 47 -7.712 5.779 1.939 1.00 0.00 C ATOM 654 CD GLU A 47 -8.234 5.790 3.362 1.00 0.00 C ATOM 655 OE1 GLU A 47 -7.714 5.015 4.192 1.00 0.00 O ATOM 656 OE2 GLU A 47 -9.164 6.574 3.647 1.00 0.00 O ATOM 0 H GLU A 47 -3.573 5.615 0.707 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.360 5.313 -0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.759 5.073 2.454 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.884 6.817 2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.154 6.608 1.387 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.032 4.861 1.446 1.00 0.00 H new ATOM 663 N LEU A 48 -5.815 7.451 -1.347 1.00 0.00 N ATOM 664 CA LEU A 48 -5.677 8.757 -1.979 1.00 0.00 C ATOM 665 C LEU A 48 -6.734 9.727 -1.463 1.00 0.00 C ATOM 666 O LEU A 48 -7.625 9.345 -0.704 1.00 0.00 O ATOM 667 CB LEU A 48 -5.789 8.626 -3.499 1.00 0.00 C ATOM 668 CG LEU A 48 -4.655 7.846 -4.167 1.00 0.00 C ATOM 669 CD1 LEU A 48 -5.171 7.092 -5.383 1.00 0.00 C ATOM 670 CD2 LEU A 48 -3.524 8.784 -4.559 1.00 0.00 C ATOM 0 H LEU A 48 -6.215 6.732 -1.949 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.693 9.152 -1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.734 8.139 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.827 9.625 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.267 7.120 -3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.351 6.543 -5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.948 6.392 -5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.585 7.800 -6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.725 8.213 -5.033 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.898 9.533 -5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.137 9.279 -3.669 1.00 0.00 H new ATOM 682 N ARG A 49 -6.629 10.985 -1.879 1.00 0.00 N ATOM 683 CA ARG A 49 -7.576 12.012 -1.459 1.00 0.00 C ATOM 684 C ARG A 49 -8.645 12.239 -2.524 1.00 0.00 C ATOM 685 O ARG A 49 -9.767 12.639 -2.217 1.00 0.00 O ATOM 686 CB ARG A 49 -6.844 13.323 -1.167 1.00 0.00 C ATOM 687 CG ARG A 49 -7.489 14.146 -0.064 1.00 0.00 C ATOM 688 CD ARG A 49 -7.159 15.623 -0.206 1.00 0.00 C ATOM 689 NE ARG A 49 -7.402 16.359 1.032 1.00 0.00 N ATOM 690 CZ ARG A 49 -8.615 16.634 1.506 1.00 0.00 C ATOM 691 NH1 ARG A 49 -9.698 16.235 0.850 1.00 0.00 N ATOM 692 NH2 ARG A 49 -8.747 17.309 2.639 1.00 0.00 N ATOM 0 H ARG A 49 -5.897 11.318 -2.507 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.065 11.666 -0.548 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.814 13.100 -0.888 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.806 13.919 -2.079 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.570 14.009 -0.091 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.147 13.787 0.907 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.114 15.735 -0.495 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.759 16.053 -1.008 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.594 16.681 1.565 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.603 15.715 -0.022 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.625 16.449 1.218 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.919 17.618 3.148 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.677 17.520 3.002 1.00 0.00 H new ATOM 706 N SER A 50 -8.288 11.981 -3.779 1.00 0.00 N ATOM 707 CA SER A 50 -9.218 12.158 -4.890 1.00 0.00 C ATOM 708 C SER A 50 -9.752 10.812 -5.370 1.00 0.00 C ATOM 709 O SER A 50 -9.321 9.759 -4.901 1.00 0.00 O ATOM 710 CB SER A 50 -8.532 12.890 -6.044 1.00 0.00 C ATOM 711 OG SER A 50 -8.727 14.290 -5.948 1.00 0.00 O ATOM 0 H SER A 50 -7.363 11.649 -4.052 1.00 0.00 H new ATOM 0 HA SER A 50 -10.058 12.757 -4.538 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.465 12.667 -6.037 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.927 12.529 -6.994 1.00 0.00 H new ATOM 0 HG SER A 50 -8.277 14.735 -6.696 1.00 0.00 H new ATOM 717 N ALA A 51 -10.692 10.855 -6.308 1.00 0.00 N ATOM 718 CA ALA A 51 -11.284 9.639 -6.852 1.00 0.00 C ATOM 719 C ALA A 51 -10.547 9.187 -8.108 1.00 0.00 C ATOM 720 O ALA A 51 -11.051 9.333 -9.222 1.00 0.00 O ATOM 721 CB ALA A 51 -12.759 9.859 -7.151 1.00 0.00 C ATOM 0 H ALA A 51 -11.060 11.719 -6.707 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.191 8.851 -6.105 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.189 8.943 -7.557 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.280 10.128 -6.232 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.867 10.663 -7.879 1.00 0.00 H new ATOM 727 N LYS A 52 -9.352 8.639 -7.922 1.00 0.00 N ATOM 728 CA LYS A 52 -8.545 8.165 -9.039 1.00 0.00 C ATOM 729 C LYS A 52 -7.973 6.780 -8.749 1.00 0.00 C ATOM 730 O LYS A 52 -6.866 6.453 -9.175 1.00 0.00 O ATOM 731 CB LYS A 52 -7.408 9.148 -9.327 1.00 0.00 C ATOM 732 CG LYS A 52 -7.884 10.569 -9.579 1.00 0.00 C ATOM 733 CD LYS A 52 -8.055 10.845 -11.064 1.00 0.00 C ATOM 734 CE LYS A 52 -8.901 12.084 -11.310 1.00 0.00 C ATOM 735 NZ LYS A 52 -10.251 11.741 -11.837 1.00 0.00 N ATOM 0 H LYS A 52 -8.920 8.512 -7.007 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.189 8.096 -9.916 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.717 9.149 -8.484 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.850 8.801 -10.196 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.832 10.732 -9.066 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.168 11.274 -9.157 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.076 10.975 -11.525 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.522 9.984 -11.543 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.006 12.642 -10.380 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.391 12.737 -12.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.796 12.614 -11.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.153 11.231 -12.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.749 11.139 -11.151 1.00 0.00 H new ATOM 749 N GLY A 53 -8.737 5.972 -8.022 1.00 0.00 N ATOM 750 CA GLY A 53 -8.291 4.632 -7.686 1.00 0.00 C ATOM 751 C GLY A 53 -9.091 3.561 -8.400 1.00 0.00 C ATOM 752 O GLY A 53 -9.797 3.845 -9.368 1.00 0.00 O ATOM 0 H GLY A 53 -9.657 6.221 -7.659 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.237 4.527 -7.944 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.372 4.485 -6.609 1.00 0.00 H new ATOM 756 N LYS A 54 -8.980 2.326 -7.923 1.00 0.00 N ATOM 757 CA LYS A 54 -9.699 1.207 -8.522 1.00 0.00 C ATOM 758 C LYS A 54 -10.269 0.290 -7.446 1.00 0.00 C ATOM 759 O LYS A 54 -10.377 -0.921 -7.642 1.00 0.00 O ATOM 760 CB LYS A 54 -8.773 0.414 -9.446 1.00 0.00 C ATOM 761 CG LYS A 54 -8.485 1.113 -10.766 1.00 0.00 C ATOM 762 CD LYS A 54 -8.071 0.123 -11.845 1.00 0.00 C ATOM 763 CE LYS A 54 -9.038 0.133 -13.020 1.00 0.00 C ATOM 764 NZ LYS A 54 -9.874 -1.099 -13.061 1.00 0.00 N ATOM 0 H LYS A 54 -8.399 2.074 -7.123 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.526 1.610 -9.107 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.831 0.228 -8.930 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.222 -0.558 -9.650 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.372 1.657 -11.091 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.694 1.849 -10.624 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.069 0.367 -12.197 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.025 -0.880 -11.420 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.684 1.008 -12.951 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.478 0.223 -13.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.519 -1.054 -13.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.259 -1.933 -13.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.428 -1.172 -12.184 1.00 0.00 H new ATOM 778 N ASN A 55 -10.631 0.873 -6.308 1.00 0.00 N ATOM 779 CA ASN A 55 -11.189 0.108 -5.200 1.00 0.00 C ATOM 780 C ASN A 55 -12.200 0.940 -4.417 1.00 0.00 C ATOM 781 O ASN A 55 -12.312 2.149 -4.618 1.00 0.00 O ATOM 782 CB ASN A 55 -10.073 -0.367 -4.268 1.00 0.00 C ATOM 783 CG ASN A 55 -9.260 -1.496 -4.869 1.00 0.00 C ATOM 784 OD1 ASN A 55 -9.787 -2.569 -5.162 1.00 0.00 O ATOM 785 ND2 ASN A 55 -7.966 -1.260 -5.054 1.00 0.00 N ATOM 0 H ASN A 55 -10.548 1.874 -6.129 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.703 -0.760 -5.614 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.414 0.470 -4.039 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.507 -0.698 -3.325 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.368 -1.983 -5.453 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.571 -0.356 -4.797 1.00 0.00 H new ATOM 792 N ASP A 56 -12.931 0.283 -3.523 1.00 0.00 N ATOM 793 CA ASP A 56 -13.932 0.962 -2.707 1.00 0.00 C ATOM 794 C ASP A 56 -13.601 0.832 -1.224 1.00 0.00 C ATOM 795 O ASP A 56 -14.495 0.778 -0.379 1.00 0.00 O ATOM 796 CB ASP A 56 -15.322 0.386 -2.983 1.00 0.00 C ATOM 797 CG ASP A 56 -15.377 -1.116 -2.781 1.00 0.00 C ATOM 798 OD1 ASP A 56 -14.895 -1.591 -1.730 1.00 0.00 O ATOM 799 OD2 ASP A 56 -15.900 -1.816 -3.672 1.00 0.00 O ATOM 0 H ASP A 56 -12.850 -0.718 -3.345 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.926 2.019 -2.972 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -16.048 0.865 -2.326 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.614 0.623 -4.006 1.00 0.00 H new ATOM 804 N GLY A 57 -12.309 0.784 -0.915 1.00 0.00 N ATOM 805 CA GLY A 57 -11.880 0.662 0.467 1.00 0.00 C ATOM 806 C GLY A 57 -11.486 -0.756 0.830 1.00 0.00 C ATOM 807 O GLY A 57 -10.590 -0.968 1.646 1.00 0.00 O ATOM 0 H GLY A 57 -11.551 0.827 -1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -11.034 1.327 0.641 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.685 0.992 1.124 1.00 0.00 H new ATOM 811 N ALA A 58 -12.158 -1.730 0.223 1.00 0.00 N ATOM 812 CA ALA A 58 -11.872 -3.135 0.487 1.00 0.00 C ATOM 813 C ALA A 58 -11.905 -3.954 -0.797 1.00 0.00 C ATOM 814 O ALA A 58 -12.509 -3.547 -1.790 1.00 0.00 O ATOM 815 CB ALA A 58 -12.865 -3.693 1.497 1.00 0.00 C ATOM 0 H ALA A 58 -12.904 -1.571 -0.455 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.867 -3.204 0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.641 -4.743 1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.790 -3.133 2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.876 -3.604 1.100 1.00 0.00 H new ATOM 821 N VAL A 59 -11.252 -5.111 -0.772 1.00 0.00 N ATOM 822 CA VAL A 59 -11.206 -5.990 -1.935 1.00 0.00 C ATOM 823 C VAL A 59 -11.431 -7.444 -1.532 1.00 0.00 C ATOM 824 O VAL A 59 -10.639 -8.021 -0.788 1.00 0.00 O ATOM 825 CB VAL A 59 -9.859 -5.876 -2.674 1.00 0.00 C ATOM 826 CG1 VAL A 59 -9.903 -6.640 -3.987 1.00 0.00 C ATOM 827 CG2 VAL A 59 -9.500 -4.416 -2.909 1.00 0.00 C ATOM 0 H VAL A 59 -10.747 -5.462 0.042 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.006 -5.672 -2.604 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.084 -6.320 -2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.943 -6.547 -4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.109 -7.692 -3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.689 -6.229 -4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.546 -4.356 -3.432 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.275 -3.943 -3.512 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.422 -3.902 -1.951 1.00 0.00 H new ATOM 837 N GLY A 60 -12.514 -8.029 -2.030 1.00 0.00 N ATOM 838 CA GLY A 60 -12.823 -9.410 -1.709 1.00 0.00 C ATOM 839 C GLY A 60 -13.521 -9.552 -0.372 1.00 0.00 C ATOM 840 O GLY A 60 -14.475 -8.830 -0.082 1.00 0.00 O ATOM 0 H GLY A 60 -13.183 -7.572 -2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.455 -9.829 -2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.902 -9.992 -1.698 1.00 0.00 H new ATOM 844 N ASP A 61 -13.045 -10.486 0.446 1.00 0.00 N ATOM 845 CA ASP A 61 -13.630 -10.719 1.762 1.00 0.00 C ATOM 846 C ASP A 61 -12.713 -10.203 2.867 1.00 0.00 C ATOM 847 O ASP A 61 -12.699 -10.738 3.976 1.00 0.00 O ATOM 848 CB ASP A 61 -13.901 -12.211 1.965 1.00 0.00 C ATOM 849 CG ASP A 61 -14.951 -12.744 1.010 1.00 0.00 C ATOM 850 OD1 ASP A 61 -14.601 -13.048 -0.150 1.00 0.00 O ATOM 851 OD2 ASP A 61 -16.124 -12.856 1.422 1.00 0.00 O ATOM 0 H ASP A 61 -12.257 -11.093 0.221 1.00 0.00 H new ATOM 0 HA ASP A 61 -14.572 -10.174 1.814 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.974 -12.768 1.828 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -14.227 -12.382 2.991 1.00 0.00 H new ATOM 856 N LYS A 62 -11.948 -9.161 2.557 1.00 0.00 N ATOM 857 CA LYS A 62 -11.029 -8.574 3.525 1.00 0.00 C ATOM 858 C LYS A 62 -11.042 -7.051 3.435 1.00 0.00 C ATOM 859 O LYS A 62 -11.368 -6.483 2.394 1.00 0.00 O ATOM 860 CB LYS A 62 -9.609 -9.103 3.297 1.00 0.00 C ATOM 861 CG LYS A 62 -9.044 -9.854 4.491 1.00 0.00 C ATOM 862 CD LYS A 62 -7.670 -10.431 4.186 1.00 0.00 C ATOM 863 CE LYS A 62 -7.498 -11.812 4.797 1.00 0.00 C ATOM 864 NZ LYS A 62 -6.073 -12.107 5.113 1.00 0.00 N ATOM 0 H LYS A 62 -11.946 -8.706 1.644 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.359 -8.861 4.524 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.611 -9.763 2.430 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.952 -8.267 3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.976 -9.182 5.346 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.724 -10.659 4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.530 -10.490 3.107 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.900 -9.763 4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.094 -11.883 5.707 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.880 -12.564 4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.999 -13.058 5.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.508 -12.065 4.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.715 -11.405 5.791 1.00 0.00 H new ATOM 878 N ARG A 63 -10.686 -6.396 4.536 1.00 0.00 N ATOM 879 CA ARG A 63 -10.656 -4.939 4.585 1.00 0.00 C ATOM 880 C ARG A 63 -9.227 -4.429 4.747 1.00 0.00 C ATOM 881 O ARG A 63 -8.439 -4.993 5.506 1.00 0.00 O ATOM 882 CB ARG A 63 -11.529 -4.429 5.735 1.00 0.00 C ATOM 883 CG ARG A 63 -12.740 -3.636 5.275 1.00 0.00 C ATOM 884 CD ARG A 63 -13.734 -4.516 4.534 1.00 0.00 C ATOM 885 NE ARG A 63 -14.424 -5.438 5.432 1.00 0.00 N ATOM 886 CZ ARG A 63 -15.442 -5.089 6.215 1.00 0.00 C ATOM 887 NH1 ARG A 63 -15.894 -3.841 6.210 1.00 0.00 N ATOM 888 NH2 ARG A 63 -16.012 -5.991 7.003 1.00 0.00 N ATOM 0 H ARG A 63 -10.414 -6.852 5.407 1.00 0.00 H new ATOM 0 HA ARG A 63 -11.052 -4.559 3.643 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.866 -5.279 6.329 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.923 -3.803 6.390 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -13.227 -3.181 6.137 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -12.418 -2.822 4.625 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -14.466 -3.888 4.027 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.212 -5.083 3.763 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.107 -6.407 5.461 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -15.461 -3.144 5.604 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -16.675 -3.579 6.812 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -15.670 -6.952 7.009 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -16.792 -5.724 7.603 1.00 0.00 H new ATOM 902 N TYR A 64 -8.900 -3.361 4.028 1.00 0.00 N ATOM 903 CA TYR A 64 -7.566 -2.775 4.091 1.00 0.00 C ATOM 904 C TYR A 64 -7.630 -1.325 4.557 1.00 0.00 C ATOM 905 O TYR A 64 -6.820 -0.888 5.375 1.00 0.00 O ATOM 906 CB TYR A 64 -6.887 -2.853 2.723 1.00 0.00 C ATOM 907 CG TYR A 64 -6.815 -4.254 2.159 1.00 0.00 C ATOM 908 CD1 TYR A 64 -7.847 -4.763 1.382 1.00 0.00 C ATOM 909 CD2 TYR A 64 -5.715 -5.065 2.402 1.00 0.00 C ATOM 910 CE1 TYR A 64 -7.785 -6.043 0.864 1.00 0.00 C ATOM 911 CE2 TYR A 64 -5.644 -6.346 1.888 1.00 0.00 C ATOM 912 CZ TYR A 64 -6.682 -6.830 1.120 1.00 0.00 C ATOM 913 OH TYR A 64 -6.617 -8.104 0.605 1.00 0.00 O ATOM 0 H TYR A 64 -9.541 -2.883 3.394 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.980 -3.344 4.813 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.427 -2.216 2.022 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.877 -2.452 2.805 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -8.712 -4.149 1.179 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.901 -4.688 3.003 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.596 -6.425 0.262 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -4.781 -6.964 2.087 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.544 -8.059 -0.371 1.00 0.00 H new ATOM 923 N PHE A 65 -8.598 -0.582 4.031 1.00 0.00 N ATOM 924 CA PHE A 65 -8.768 0.821 4.393 1.00 0.00 C ATOM 925 C PHE A 65 -10.208 1.268 4.170 1.00 0.00 C ATOM 926 O PHE A 65 -11.038 0.503 3.678 1.00 0.00 O ATOM 927 CB PHE A 65 -7.817 1.698 3.576 1.00 0.00 C ATOM 928 CG PHE A 65 -7.798 1.363 2.112 1.00 0.00 C ATOM 929 CD1 PHE A 65 -8.685 1.970 1.237 1.00 0.00 C ATOM 930 CD2 PHE A 65 -6.896 0.439 1.611 1.00 0.00 C ATOM 931 CE1 PHE A 65 -8.670 1.663 -0.111 1.00 0.00 C ATOM 932 CE2 PHE A 65 -6.875 0.128 0.264 1.00 0.00 C ATOM 933 CZ PHE A 65 -7.764 0.741 -0.598 1.00 0.00 C ATOM 0 H PHE A 65 -9.277 -0.928 3.353 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.532 0.930 5.452 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.105 2.742 3.697 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.808 1.597 3.976 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.396 2.691 1.612 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.200 -0.045 2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.366 2.144 -0.783 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.165 -0.593 -0.114 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.751 0.500 -1.651 1.00 0.00 H new ATOM 943 N THR A 66 -10.500 2.513 4.535 1.00 0.00 N ATOM 944 CA THR A 66 -11.841 3.063 4.375 1.00 0.00 C ATOM 945 C THR A 66 -11.796 4.405 3.652 1.00 0.00 C ATOM 946 O THR A 66 -11.297 5.394 4.187 1.00 0.00 O ATOM 947 CB THR A 66 -12.512 3.228 5.739 1.00 0.00 C ATOM 948 OG1 THR A 66 -11.977 2.311 6.677 1.00 0.00 O ATOM 949 CG2 THR A 66 -14.011 3.019 5.698 1.00 0.00 C ATOM 0 H THR A 66 -9.825 3.160 4.944 1.00 0.00 H new ATOM 0 HA THR A 66 -12.423 2.366 3.773 1.00 0.00 H new ATOM 0 HB THR A 66 -12.312 4.258 6.035 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.418 2.434 7.543 1.00 0.00 H new ATOM 0 HG21 THR A 66 -14.424 3.151 6.698 1.00 0.00 H new ATOM 0 HG22 THR A 66 -14.461 3.745 5.021 1.00 0.00 H new ATOM 0 HG23 THR A 66 -14.228 2.011 5.345 1.00 0.00 H new ATOM 957 N CYS A 67 -12.321 4.431 2.431 1.00 0.00 N ATOM 958 CA CYS A 67 -12.342 5.652 1.633 1.00 0.00 C ATOM 959 C CYS A 67 -13.562 5.683 0.719 1.00 0.00 C ATOM 960 O CYS A 67 -14.407 4.789 0.763 1.00 0.00 O ATOM 961 CB CYS A 67 -11.063 5.764 0.801 1.00 0.00 C ATOM 962 SG CYS A 67 -10.787 4.372 -0.319 1.00 0.00 S ATOM 0 H CYS A 67 -12.738 3.621 1.973 1.00 0.00 H new ATOM 0 HA CYS A 67 -12.399 6.501 2.314 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -11.101 6.684 0.218 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -10.210 5.849 1.475 1.00 0.00 H new ATOM 0 HG CYS A 67 -9.807 3.644 0.127 1.00 0.00 H new ATOM 968 N LYS A 68 -13.647 6.718 -0.111 1.00 0.00 N ATOM 969 CA LYS A 68 -14.764 6.865 -1.036 1.00 0.00 C ATOM 970 C LYS A 68 -14.613 5.921 -2.227 1.00 0.00 C ATOM 971 O LYS A 68 -13.532 5.386 -2.472 1.00 0.00 O ATOM 972 CB LYS A 68 -14.862 8.311 -1.526 1.00 0.00 C ATOM 973 CG LYS A 68 -15.727 9.195 -0.643 1.00 0.00 C ATOM 974 CD LYS A 68 -15.927 10.570 -1.258 1.00 0.00 C ATOM 975 CE LYS A 68 -16.151 11.631 -0.191 1.00 0.00 C ATOM 976 NZ LYS A 68 -17.165 12.637 -0.611 1.00 0.00 N ATOM 0 H LYS A 68 -12.956 7.466 -0.162 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.680 6.606 -0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.860 8.736 -1.581 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.266 8.316 -2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.696 8.720 -0.488 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.262 9.298 0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.054 10.833 -1.856 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.782 10.546 -1.934 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.475 11.153 0.733 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.208 12.134 0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.288 13.342 0.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.844 13.112 -1.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -18.072 12.161 -0.792 1.00 0.00 H new ATOM 990 N PRO A 69 -15.700 5.706 -2.988 1.00 0.00 N ATOM 991 CA PRO A 69 -15.682 4.823 -4.159 1.00 0.00 C ATOM 992 C PRO A 69 -14.566 5.179 -5.135 1.00 0.00 C ATOM 993 O PRO A 69 -14.490 6.308 -5.621 1.00 0.00 O ATOM 994 CB PRO A 69 -17.050 5.056 -4.804 1.00 0.00 C ATOM 995 CG PRO A 69 -17.921 5.521 -3.689 1.00 0.00 C ATOM 996 CD PRO A 69 -17.030 6.306 -2.768 1.00 0.00 C ATOM 0 HA PRO A 69 -15.499 3.785 -3.882 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -16.992 5.801 -5.598 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.437 4.141 -5.253 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -18.737 6.139 -4.063 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -18.373 4.677 -3.169 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -17.037 7.369 -3.011 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -17.345 6.215 -1.729 1.00 0.00 H new ATOM 1004 N ASN A 70 -13.701 4.211 -5.418 1.00 0.00 N ATOM 1005 CA ASN A 70 -12.588 4.422 -6.336 1.00 0.00 C ATOM 1006 C ASN A 70 -11.680 5.545 -5.840 1.00 0.00 C ATOM 1007 O ASN A 70 -11.564 6.593 -6.477 1.00 0.00 O ATOM 1008 CB ASN A 70 -13.111 4.750 -7.736 1.00 0.00 C ATOM 1009 CG ASN A 70 -13.350 3.505 -8.569 1.00 0.00 C ATOM 1010 OD1 ASN A 70 -12.791 3.354 -9.655 1.00 0.00 O ATOM 1011 ND2 ASN A 70 -14.185 2.606 -8.062 1.00 0.00 N ATOM 0 H ASN A 70 -13.750 3.271 -5.024 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.005 3.502 -6.381 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -14.041 5.312 -7.651 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.395 5.394 -8.247 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.385 1.749 -8.577 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.626 2.773 -7.158 1.00 0.00 H new ATOM 1018 N TYR A 71 -11.038 5.318 -4.699 1.00 0.00 N ATOM 1019 CA TYR A 71 -10.140 6.308 -4.117 1.00 0.00 C ATOM 1020 C TYR A 71 -8.778 5.693 -3.808 1.00 0.00 C ATOM 1021 O TYR A 71 -7.743 6.200 -4.241 1.00 0.00 O ATOM 1022 CB TYR A 71 -10.750 6.892 -2.841 1.00 0.00 C ATOM 1023 CG TYR A 71 -11.510 8.180 -3.067 1.00 0.00 C ATOM 1024 CD1 TYR A 71 -12.550 8.244 -3.985 1.00 0.00 C ATOM 1025 CD2 TYR A 71 -11.187 9.332 -2.360 1.00 0.00 C ATOM 1026 CE1 TYR A 71 -13.247 9.419 -4.195 1.00 0.00 C ATOM 1027 CE2 TYR A 71 -11.879 10.510 -2.563 1.00 0.00 C ATOM 1028 CZ TYR A 71 -12.907 10.548 -3.482 1.00 0.00 C ATOM 1029 OH TYR A 71 -13.598 11.720 -3.686 1.00 0.00 O ATOM 0 H TYR A 71 -11.123 4.457 -4.159 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.001 7.108 -4.844 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.422 6.156 -2.400 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -9.955 7.071 -2.117 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.819 7.360 -4.545 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.382 9.306 -1.640 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.053 9.452 -4.913 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.617 11.397 -2.005 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.234 12.420 -3.104 1.00 0.00 H new ATOM 1039 N GLY A 72 -8.787 4.596 -3.057 1.00 0.00 N ATOM 1040 CA GLY A 72 -7.548 3.929 -2.702 1.00 0.00 C ATOM 1041 C GLY A 72 -7.101 2.936 -3.757 1.00 0.00 C ATOM 1042 O GLY A 72 -7.880 2.557 -4.632 1.00 0.00 O ATOM 0 H GLY A 72 -9.631 4.157 -2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.767 4.675 -2.555 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.677 3.411 -1.752 1.00 0.00 H new ATOM 1046 N VAL A 73 -5.844 2.514 -3.673 1.00 0.00 N ATOM 1047 CA VAL A 73 -5.293 1.559 -4.627 1.00 0.00 C ATOM 1048 C VAL A 73 -4.269 0.646 -3.961 1.00 0.00 C ATOM 1049 O VAL A 73 -3.286 1.116 -3.387 1.00 0.00 O ATOM 1050 CB VAL A 73 -4.630 2.273 -5.819 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -5.683 2.828 -6.765 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -3.704 3.378 -5.332 1.00 0.00 C ATOM 0 H VAL A 73 -5.188 2.818 -2.954 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.127 0.960 -4.992 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.032 1.545 -6.367 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.194 3.329 -7.601 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.300 2.012 -7.142 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.311 3.542 -6.232 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.244 3.871 -6.188 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.277 4.106 -4.758 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.926 2.949 -4.700 1.00 0.00 H new ATOM 1062 N LEU A 74 -4.505 -0.658 -4.042 1.00 0.00 N ATOM 1063 CA LEU A 74 -3.602 -1.638 -3.446 1.00 0.00 C ATOM 1064 C LEU A 74 -2.454 -1.966 -4.395 1.00 0.00 C ATOM 1065 O LEU A 74 -2.665 -2.529 -5.469 1.00 0.00 O ATOM 1066 CB LEU A 74 -4.368 -2.914 -3.086 1.00 0.00 C ATOM 1067 CG LEU A 74 -4.820 -3.005 -1.625 1.00 0.00 C ATOM 1068 CD1 LEU A 74 -6.311 -3.294 -1.541 1.00 0.00 C ATOM 1069 CD2 LEU A 74 -4.028 -4.076 -0.886 1.00 0.00 C ATOM 0 H LEU A 74 -5.314 -1.062 -4.514 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.183 -1.207 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.246 -2.986 -3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.737 -3.774 -3.310 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.629 -2.043 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.611 -3.355 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.865 -2.494 -2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.527 -4.241 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.363 -4.126 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.187 -5.042 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.967 -3.827 -0.913 1.00 0.00 H new ATOM 1081 N VAL A 75 -1.239 -1.610 -3.991 1.00 0.00 N ATOM 1082 CA VAL A 75 -0.057 -1.866 -4.804 1.00 0.00 C ATOM 1083 C VAL A 75 1.049 -2.516 -3.979 1.00 0.00 C ATOM 1084 O VAL A 75 0.969 -2.574 -2.752 1.00 0.00 O ATOM 1085 CB VAL A 75 0.484 -0.570 -5.436 1.00 0.00 C ATOM 1086 CG1 VAL A 75 -0.391 -0.141 -6.605 1.00 0.00 C ATOM 1087 CG2 VAL A 75 0.575 0.535 -4.395 1.00 0.00 C ATOM 0 H VAL A 75 -1.048 -1.143 -3.105 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.363 -2.548 -5.598 1.00 0.00 H new ATOM 0 HB VAL A 75 1.488 -0.763 -5.815 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.006 0.776 -7.039 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.399 -0.926 -7.361 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.408 0.035 -6.253 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.959 1.443 -4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.415 0.730 -3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.246 0.226 -3.594 1.00 0.00 H new ATOM 1097 N ARG A 76 2.079 -3.007 -4.661 1.00 0.00 N ATOM 1098 CA ARG A 76 3.200 -3.656 -3.992 1.00 0.00 C ATOM 1099 C ARG A 76 4.377 -2.695 -3.831 1.00 0.00 C ATOM 1100 O ARG A 76 4.527 -1.749 -4.600 1.00 0.00 O ATOM 1101 CB ARG A 76 3.638 -4.893 -4.777 1.00 0.00 C ATOM 1102 CG ARG A 76 2.498 -5.856 -5.072 1.00 0.00 C ATOM 1103 CD ARG A 76 2.502 -6.309 -6.525 1.00 0.00 C ATOM 1104 NE ARG A 76 2.458 -7.765 -6.644 1.00 0.00 N ATOM 1105 CZ ARG A 76 1.979 -8.410 -7.706 1.00 0.00 C ATOM 1106 NH1 ARG A 76 1.508 -7.735 -8.748 1.00 0.00 N ATOM 1107 NH2 ARG A 76 1.972 -9.735 -7.726 1.00 0.00 N ATOM 0 H ARG A 76 2.160 -2.968 -5.677 1.00 0.00 H new ATOM 0 HA ARG A 76 2.870 -3.960 -2.999 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.089 -4.577 -5.717 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.410 -5.417 -4.214 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.579 -6.726 -4.420 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.547 -5.374 -4.844 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.645 -5.877 -7.042 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.397 -5.932 -7.020 1.00 0.00 H new ATOM 0 HE ARG A 76 2.816 -8.320 -5.867 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.511 -6.715 -8.739 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.143 -8.236 -9.558 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.333 -10.259 -6.929 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.605 -10.231 -8.539 1.00 0.00 H new ATOM 1121 N PRO A 77 5.231 -2.933 -2.817 1.00 0.00 N ATOM 1122 CA PRO A 77 6.398 -2.088 -2.558 1.00 0.00 C ATOM 1123 C PRO A 77 7.156 -1.782 -3.841 1.00 0.00 C ATOM 1124 O PRO A 77 7.396 -0.623 -4.176 1.00 0.00 O ATOM 1125 CB PRO A 77 7.245 -2.945 -1.621 1.00 0.00 C ATOM 1126 CG PRO A 77 6.255 -3.782 -0.886 1.00 0.00 C ATOM 1127 CD PRO A 77 5.126 -4.042 -1.849 1.00 0.00 C ATOM 0 HA PRO A 77 6.133 -1.118 -2.137 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.952 -3.562 -2.177 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.829 -2.328 -0.938 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.706 -4.717 -0.554 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.896 -3.267 0.005 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.231 -5.011 -2.337 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.160 -4.042 -1.343 1.00 0.00 H new ATOM 1135 N SER A 78 7.509 -2.841 -4.563 1.00 0.00 N ATOM 1136 CA SER A 78 8.217 -2.697 -5.824 1.00 0.00 C ATOM 1137 C SER A 78 7.418 -1.805 -6.766 1.00 0.00 C ATOM 1138 O SER A 78 7.973 -1.185 -7.673 1.00 0.00 O ATOM 1139 CB SER A 78 8.451 -4.066 -6.467 1.00 0.00 C ATOM 1140 OG SER A 78 9.607 -4.053 -7.287 1.00 0.00 O ATOM 0 H SER A 78 7.315 -3.806 -4.294 1.00 0.00 H new ATOM 0 HA SER A 78 9.186 -2.236 -5.631 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.561 -4.822 -5.690 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.582 -4.345 -7.063 1.00 0.00 H new ATOM 0 HG SER A 78 9.736 -4.939 -7.685 1.00 0.00 H new ATOM 1146 N ARG A 79 6.107 -1.732 -6.531 1.00 0.00 N ATOM 1147 CA ARG A 79 5.240 -0.898 -7.349 1.00 0.00 C ATOM 1148 C ARG A 79 5.157 0.515 -6.777 1.00 0.00 C ATOM 1149 O ARG A 79 4.623 1.420 -7.417 1.00 0.00 O ATOM 1150 CB ARG A 79 3.840 -1.510 -7.446 1.00 0.00 C ATOM 1151 CG ARG A 79 3.827 -2.908 -8.046 1.00 0.00 C ATOM 1152 CD ARG A 79 3.277 -2.903 -9.463 1.00 0.00 C ATOM 1153 NE ARG A 79 4.236 -2.359 -10.421 1.00 0.00 N ATOM 1154 CZ ARG A 79 3.901 -1.896 -11.624 1.00 0.00 C ATOM 1155 NH1 ARG A 79 2.635 -1.912 -12.021 1.00 0.00 N ATOM 1156 NH2 ARG A 79 4.835 -1.416 -12.433 1.00 0.00 N ATOM 0 H ARG A 79 5.629 -2.238 -5.785 1.00 0.00 H new ATOM 0 HA ARG A 79 5.667 -0.844 -8.350 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.399 -1.547 -6.450 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.209 -0.858 -8.050 1.00 0.00 H new ATOM 0 HG2 ARG A 79 4.839 -3.313 -8.049 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.222 -3.567 -7.423 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.013 -3.920 -9.753 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.360 -2.314 -9.494 1.00 0.00 H new ATOM 0 HE ARG A 79 5.220 -2.332 -10.153 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.912 -2.280 -11.404 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.385 -1.556 -12.944 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.810 -1.401 -12.134 1.00 0.00 H new ATOM 0 HH22 ARG A 79 4.579 -1.061 -13.354 1.00 0.00 H new ATOM 1170 N VAL A 80 5.693 0.705 -5.568 1.00 0.00 N ATOM 1171 CA VAL A 80 5.674 2.018 -4.931 1.00 0.00 C ATOM 1172 C VAL A 80 7.079 2.461 -4.534 1.00 0.00 C ATOM 1173 O VAL A 80 8.040 1.703 -4.663 1.00 0.00 O ATOM 1174 CB VAL A 80 4.768 2.031 -3.683 1.00 0.00 C ATOM 1175 CG1 VAL A 80 3.331 1.712 -4.063 1.00 0.00 C ATOM 1176 CG2 VAL A 80 5.278 1.053 -2.636 1.00 0.00 C ATOM 0 H VAL A 80 6.141 -0.028 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 80 5.272 2.715 -5.666 1.00 0.00 H new ATOM 0 HB VAL A 80 4.794 3.032 -3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.707 1.726 -3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.968 2.457 -4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.287 0.724 -4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.624 1.079 -1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.287 0.046 -3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.289 1.332 -2.339 1.00 0.00 H new ATOM 1186 N THR A 81 7.192 3.696 -4.055 1.00 0.00 N ATOM 1187 CA THR A 81 8.480 4.240 -3.641 1.00 0.00 C ATOM 1188 C THR A 81 8.298 5.317 -2.575 1.00 0.00 C ATOM 1189 O THR A 81 7.193 5.819 -2.368 1.00 0.00 O ATOM 1190 CB THR A 81 9.225 4.818 -4.845 1.00 0.00 C ATOM 1191 OG1 THR A 81 8.315 5.200 -5.861 1.00 0.00 O ATOM 1192 CG2 THR A 81 10.215 3.850 -5.457 1.00 0.00 C ATOM 0 H THR A 81 6.407 4.338 -3.944 1.00 0.00 H new ATOM 0 HA THR A 81 9.069 3.428 -3.215 1.00 0.00 H new ATOM 0 HB THR A 81 9.772 5.678 -4.460 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.810 5.569 -6.622 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.709 4.323 -6.306 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.961 3.573 -4.712 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.689 2.957 -5.794 1.00 0.00 H new