USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 740 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 39 CYS SG : rot -140:sc= -1.36 USER MOD Set 1.2: A 105 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00539) USER MOD Set 2.1: A 97 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.2) USER MOD Set 2.2: A 103 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 78 MET CE :methyl 161:sc= -0.0897 (180deg=-0.283) USER MOD Set 3.2: A 93 TYR OH : rot -149:sc=1.97e-05 USER MOD Set 4.1: A 60 ASN : amide:sc= 0.746 X(o=1.9,f=1.5) USER MOD Set 4.2: A 102 TYR OH : rot 119:sc= 1.13 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= 0.898 K(o=0.9,f=-3!) USER MOD Single : A 22 LYS NZ :NH3+ -165:sc= -0.965 (180deg=-1.63) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0524 X(o=-0.052,f=-0.052) USER MOD Single : A 33 MET CE :methyl -165:sc= -0.0703 (180deg=-0.672) USER MOD Single : A 34 THR OG1 : rot -79:sc= 0.43 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 40 SER OG : rot 99:sc= 1.2 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -87:sc= 0.225 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -52:sc= 1.32 USER MOD Single : A 62 ASN : amide:sc= -0.131 K(o=-0.13,f=-3.1!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 67 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0133) USER MOD Single : A 69 CYS SG : rot 180:sc= -1.38 USER MOD Single : A 71 THR OG1 : rot -38:sc= 0.305 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.0259 K(o=-0.026,f=-0.88) USER MOD Single : A 75 GLN : amide:sc= -0.03 X(o=-0.03,f=-0.44) USER MOD Single : A 77 MET CE :methyl 168:sc= -0.063 (180deg=-0.454) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= -0.917 X(o=-0.92,f=-0.82) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl 146:sc= -0.485 (180deg=-2.07!) USER MOD ----------------------------------------------------------------- ATOM 185 N LYS A 16 -0.650 -3.035 -13.761 1.00 0.00 N ATOM 186 CA LYS A 16 -1.360 -1.809 -13.416 1.00 0.00 C ATOM 187 C LYS A 16 -0.381 -0.684 -13.098 1.00 0.00 C ATOM 188 O LYS A 16 0.642 -0.904 -12.448 1.00 0.00 O ATOM 189 CB LYS A 16 -2.282 -2.050 -12.218 1.00 0.00 C ATOM 190 CG LYS A 16 -3.348 -3.102 -12.473 1.00 0.00 C ATOM 191 CD LYS A 16 -4.365 -2.629 -13.498 1.00 0.00 C ATOM 192 CE LYS A 16 -5.600 -3.517 -13.508 1.00 0.00 C ATOM 193 NZ LYS A 16 -6.782 -2.816 -14.084 1.00 0.00 N ATOM 0 HA LYS A 16 -1.960 -1.512 -14.276 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.680 -2.355 -11.362 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.767 -1.112 -11.948 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.877 -4.021 -12.823 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.856 -3.340 -11.539 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.656 -1.602 -13.277 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.910 -2.625 -14.489 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.395 -4.418 -14.086 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.827 -3.836 -12.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.603 -3.454 -14.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.994 -1.970 -13.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.575 -2.534 -15.064 1.00 0.00 H new ATOM 207 N ILE A 17 -0.700 0.520 -13.559 1.00 0.00 N ATOM 208 CA ILE A 17 0.151 1.679 -13.321 1.00 0.00 C ATOM 209 C ILE A 17 0.181 2.045 -11.841 1.00 0.00 C ATOM 210 O ILE A 17 1.207 2.484 -11.321 1.00 0.00 O ATOM 211 CB ILE A 17 -0.323 2.901 -14.130 1.00 0.00 C ATOM 212 CG1 ILE A 17 0.582 4.104 -13.856 1.00 0.00 C ATOM 213 CG2 ILE A 17 -1.769 3.232 -13.792 1.00 0.00 C ATOM 214 CD1 ILE A 17 0.421 5.223 -14.862 1.00 0.00 C ATOM 0 H ILE A 17 -1.542 0.719 -14.100 1.00 0.00 H new ATOM 0 HA ILE A 17 1.155 1.405 -13.646 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.264 2.660 -15.191 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.369 4.489 -12.859 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.621 3.774 -13.855 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.089 4.098 -14.372 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.403 2.379 -14.033 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.852 3.457 -12.729 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.093 6.042 -14.606 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.663 4.854 -15.859 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.609 5.580 -14.847 1.00 0.00 H new ATOM 226 N TRP A 18 -0.949 1.858 -11.169 1.00 0.00 N ATOM 227 CA TRP A 18 -1.051 2.167 -9.747 1.00 0.00 C ATOM 228 C TRP A 18 -0.435 1.056 -8.903 1.00 0.00 C ATOM 229 O TRP A 18 -0.150 1.247 -7.721 1.00 0.00 O ATOM 230 CB TRP A 18 -2.515 2.372 -9.352 1.00 0.00 C ATOM 231 CG TRP A 18 -3.420 1.282 -9.841 1.00 0.00 C ATOM 232 CD1 TRP A 18 -4.264 1.337 -10.913 1.00 0.00 C ATOM 233 CD2 TRP A 18 -3.572 -0.024 -9.275 1.00 0.00 C ATOM 234 NE1 TRP A 18 -4.932 0.144 -11.048 1.00 0.00 N ATOM 235 CE2 TRP A 18 -4.525 -0.708 -10.055 1.00 0.00 C ATOM 236 CE3 TRP A 18 -2.995 -0.683 -8.186 1.00 0.00 C ATOM 237 CZ2 TRP A 18 -4.912 -2.017 -9.779 1.00 0.00 C ATOM 238 CZ3 TRP A 18 -3.380 -1.982 -7.913 1.00 0.00 C ATOM 239 CH2 TRP A 18 -4.331 -2.638 -8.707 1.00 0.00 C ATOM 0 H TRP A 18 -1.807 1.494 -11.585 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.499 3.088 -9.560 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.586 2.433 -8.266 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -2.861 3.327 -9.748 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.388 2.193 -11.560 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.619 -0.072 -11.770 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.261 -0.186 -7.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.645 -2.524 -10.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.941 -2.501 -7.074 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.611 -3.653 -8.468 1.00 0.00 H new ATOM 250 N PHE A 19 -0.233 -0.105 -9.518 1.00 0.00 N ATOM 251 CA PHE A 19 0.349 -1.247 -8.822 1.00 0.00 C ATOM 252 C PHE A 19 1.870 -1.135 -8.770 1.00 0.00 C ATOM 253 O PHE A 19 2.496 -0.604 -9.687 1.00 0.00 O ATOM 254 CB PHE A 19 -0.055 -2.551 -9.512 1.00 0.00 C ATOM 255 CG PHE A 19 0.558 -3.773 -8.890 1.00 0.00 C ATOM 256 CD1 PHE A 19 0.359 -4.058 -7.549 1.00 0.00 C ATOM 257 CD2 PHE A 19 1.333 -4.638 -9.647 1.00 0.00 C ATOM 258 CE1 PHE A 19 0.923 -5.181 -6.974 1.00 0.00 C ATOM 259 CE2 PHE A 19 1.898 -5.763 -9.078 1.00 0.00 C ATOM 260 CZ PHE A 19 1.692 -6.036 -7.740 1.00 0.00 C ATOM 0 H PHE A 19 -0.464 -0.280 -10.496 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.032 -1.251 -7.801 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.141 -2.645 -9.486 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.236 -2.503 -10.561 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.244 -3.395 -6.946 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.497 -4.430 -10.694 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.763 -5.390 -5.927 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.500 -6.428 -9.679 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.131 -6.916 -7.293 1.00 0.00 H new ATOM 270 N HIS A 20 2.458 -1.640 -7.690 1.00 0.00 N ATOM 271 CA HIS A 20 3.906 -1.598 -7.518 1.00 0.00 C ATOM 272 C HIS A 20 4.406 -2.856 -6.816 1.00 0.00 C ATOM 273 O HIS A 20 4.224 -3.020 -5.610 1.00 0.00 O ATOM 274 CB HIS A 20 4.309 -0.359 -6.718 1.00 0.00 C ATOM 275 CG HIS A 20 4.314 0.901 -7.527 1.00 0.00 C ATOM 276 ND1 HIS A 20 5.449 1.407 -8.125 1.00 0.00 N ATOM 277 CD2 HIS A 20 3.313 1.758 -7.838 1.00 0.00 C ATOM 278 CE1 HIS A 20 5.147 2.522 -8.767 1.00 0.00 C ATOM 279 NE2 HIS A 20 3.857 2.756 -8.609 1.00 0.00 N ATOM 0 H HIS A 20 1.954 -2.083 -6.921 1.00 0.00 H new ATOM 0 HA HIS A 20 4.364 -1.549 -8.506 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.623 -0.240 -5.879 1.00 0.00 H new ATOM 0 HB3 HIS A 20 5.303 -0.515 -6.298 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.280 1.673 -7.536 1.00 0.00 H new ATOM 0 HE1 HIS A 20 5.837 3.137 -9.325 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.347 3.550 -8.997 1.00 0.00 H new ATOM 287 N GLY A 21 5.038 -3.743 -7.579 1.00 0.00 N ATOM 288 CA GLY A 21 5.554 -4.976 -7.013 1.00 0.00 C ATOM 289 C GLY A 21 7.042 -5.142 -7.247 1.00 0.00 C ATOM 290 O GLY A 21 7.668 -6.047 -6.693 1.00 0.00 O ATOM 0 H GLY A 21 5.202 -3.630 -8.579 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.354 -4.992 -5.942 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.024 -5.823 -7.449 1.00 0.00 H new ATOM 294 N LYS A 22 7.612 -4.269 -8.070 1.00 0.00 N ATOM 295 CA LYS A 22 9.036 -4.323 -8.377 1.00 0.00 C ATOM 296 C LYS A 22 9.841 -3.508 -7.370 1.00 0.00 C ATOM 297 O LYS A 22 11.005 -3.808 -7.105 1.00 0.00 O ATOM 298 CB LYS A 22 9.293 -3.801 -9.793 1.00 0.00 C ATOM 299 CG LYS A 22 9.036 -2.312 -9.948 1.00 0.00 C ATOM 300 CD LYS A 22 10.287 -1.498 -9.664 1.00 0.00 C ATOM 301 CE LYS A 22 11.133 -1.320 -10.915 1.00 0.00 C ATOM 302 NZ LYS A 22 11.774 -2.596 -11.337 1.00 0.00 N ATOM 0 H LYS A 22 7.109 -3.515 -8.537 1.00 0.00 H new ATOM 0 HA LYS A 22 9.357 -5.363 -8.315 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.326 -4.013 -10.068 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.659 -4.345 -10.493 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.688 -2.105 -10.960 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.240 -2.007 -9.269 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.005 -0.521 -9.272 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.877 -1.993 -8.892 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.509 -0.942 -11.725 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.903 -0.571 -10.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.529 -2.395 -12.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.179 -3.073 -10.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.062 -3.213 -11.777 1.00 0.00 H new ATOM 316 N ILE A 23 9.213 -2.479 -6.811 1.00 0.00 N ATOM 317 CA ILE A 23 9.870 -1.624 -5.831 1.00 0.00 C ATOM 318 C ILE A 23 9.884 -2.277 -4.452 1.00 0.00 C ATOM 319 O ILE A 23 9.282 -3.331 -4.248 1.00 0.00 O ATOM 320 CB ILE A 23 9.181 -0.251 -5.729 1.00 0.00 C ATOM 321 CG1 ILE A 23 7.837 -0.382 -5.009 1.00 0.00 C ATOM 322 CG2 ILE A 23 8.990 0.350 -7.114 1.00 0.00 C ATOM 323 CD1 ILE A 23 7.217 0.947 -4.640 1.00 0.00 C ATOM 0 H ILE A 23 8.250 -2.217 -7.020 1.00 0.00 H new ATOM 0 HA ILE A 23 10.895 -1.482 -6.174 1.00 0.00 H new ATOM 0 HB ILE A 23 9.818 0.417 -5.149 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.145 -0.932 -5.646 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.975 -0.973 -4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.502 1.320 -7.025 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.961 0.475 -7.594 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.370 -0.314 -7.717 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.267 0.777 -4.133 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.890 1.491 -3.977 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.047 1.532 -5.544 1.00 0.00 H new ATOM 335 N SER A 24 10.572 -1.642 -3.509 1.00 0.00 N ATOM 336 CA SER A 24 10.665 -2.161 -2.150 1.00 0.00 C ATOM 337 C SER A 24 10.078 -1.171 -1.149 1.00 0.00 C ATOM 338 O SER A 24 10.015 0.030 -1.409 1.00 0.00 O ATOM 339 CB SER A 24 12.123 -2.460 -1.795 1.00 0.00 C ATOM 340 OG SER A 24 12.696 -3.373 -2.715 1.00 0.00 O ATOM 0 H SER A 24 11.073 -0.767 -3.661 1.00 0.00 H new ATOM 0 HA SER A 24 10.089 -3.085 -2.100 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.697 -1.533 -1.792 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.178 -2.872 -0.787 1.00 0.00 H new ATOM 0 HG SER A 24 13.628 -3.546 -2.467 1.00 0.00 H new ATOM 346 N LYS A 25 9.649 -1.685 -0.001 1.00 0.00 N ATOM 347 CA LYS A 25 9.068 -0.849 1.043 1.00 0.00 C ATOM 348 C LYS A 25 9.801 0.485 1.142 1.00 0.00 C ATOM 349 O LYS A 25 9.230 1.539 0.861 1.00 0.00 O ATOM 350 CB LYS A 25 9.117 -1.571 2.391 1.00 0.00 C ATOM 351 CG LYS A 25 8.335 -0.868 3.487 1.00 0.00 C ATOM 352 CD LYS A 25 9.197 0.141 4.226 1.00 0.00 C ATOM 353 CE LYS A 25 9.971 -0.512 5.361 1.00 0.00 C ATOM 354 NZ LYS A 25 11.232 0.218 5.665 1.00 0.00 N ATOM 0 H LYS A 25 9.693 -2.678 0.230 1.00 0.00 H new ATOM 0 HA LYS A 25 8.028 -0.654 0.780 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.725 -2.581 2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.157 -1.669 2.704 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.472 -0.362 3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.951 -1.605 4.192 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.894 0.605 3.529 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.567 0.937 4.624 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.347 -0.546 6.254 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.204 -1.543 5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.730 -0.259 6.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.839 0.228 4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.009 1.195 5.943 1.00 0.00 H new ATOM 368 N GLN A 26 11.067 0.431 1.542 1.00 0.00 N ATOM 369 CA GLN A 26 11.877 1.636 1.677 1.00 0.00 C ATOM 370 C GLN A 26 11.698 2.550 0.469 1.00 0.00 C ATOM 371 O GLN A 26 11.316 3.712 0.610 1.00 0.00 O ATOM 372 CB GLN A 26 13.353 1.269 1.839 1.00 0.00 C ATOM 373 CG GLN A 26 14.183 2.359 2.497 1.00 0.00 C ATOM 374 CD GLN A 26 15.397 1.812 3.220 1.00 0.00 C ATOM 375 OE1 GLN A 26 16.096 0.935 2.709 1.00 0.00 O ATOM 376 NE2 GLN A 26 15.657 2.327 4.416 1.00 0.00 N ATOM 0 H GLN A 26 11.554 -0.434 1.778 1.00 0.00 H new ATOM 0 HA GLN A 26 11.543 2.170 2.567 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.429 0.358 2.433 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.773 1.046 0.858 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.507 3.071 1.738 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.560 2.907 3.204 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.052 3.052 4.802 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.462 1.998 4.949 1.00 0.00 H new ATOM 385 N GLU A 27 11.977 2.018 -0.717 1.00 0.00 N ATOM 386 CA GLU A 27 11.848 2.788 -1.948 1.00 0.00 C ATOM 387 C GLU A 27 10.489 3.479 -2.018 1.00 0.00 C ATOM 388 O GLU A 27 10.408 4.698 -2.167 1.00 0.00 O ATOM 389 CB GLU A 27 12.033 1.880 -3.165 1.00 0.00 C ATOM 390 CG GLU A 27 13.485 1.694 -3.572 1.00 0.00 C ATOM 391 CD GLU A 27 13.965 2.769 -4.528 1.00 0.00 C ATOM 392 OE1 GLU A 27 14.053 3.941 -4.106 1.00 0.00 O ATOM 393 OE2 GLU A 27 14.252 2.438 -5.697 1.00 0.00 O ATOM 0 H GLU A 27 12.294 1.058 -0.851 1.00 0.00 H new ATOM 0 HA GLU A 27 12.626 3.552 -1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.597 0.904 -2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.479 2.297 -4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.112 1.700 -2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.605 0.717 -4.040 1.00 0.00 H new ATOM 400 N ALA A 28 9.424 2.691 -1.909 1.00 0.00 N ATOM 401 CA ALA A 28 8.070 3.227 -1.957 1.00 0.00 C ATOM 402 C ALA A 28 7.995 4.595 -1.288 1.00 0.00 C ATOM 403 O ALA A 28 7.490 5.555 -1.870 1.00 0.00 O ATOM 404 CB ALA A 28 7.097 2.260 -1.298 1.00 0.00 C ATOM 0 H ALA A 28 9.473 1.680 -1.787 1.00 0.00 H new ATOM 0 HA ALA A 28 7.791 3.350 -3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.089 2.673 -1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.121 1.305 -1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.383 2.109 -0.257 1.00 0.00 H new ATOM 410 N TYR A 29 8.501 4.676 -0.062 1.00 0.00 N ATOM 411 CA TYR A 29 8.489 5.927 0.688 1.00 0.00 C ATOM 412 C TYR A 29 9.173 7.040 -0.099 1.00 0.00 C ATOM 413 O TYR A 29 8.658 8.153 -0.197 1.00 0.00 O ATOM 414 CB TYR A 29 9.181 5.742 2.039 1.00 0.00 C ATOM 415 CG TYR A 29 8.249 5.283 3.139 1.00 0.00 C ATOM 416 CD1 TYR A 29 7.179 6.072 3.543 1.00 0.00 C ATOM 417 CD2 TYR A 29 8.440 4.062 3.773 1.00 0.00 C ATOM 418 CE1 TYR A 29 6.326 5.657 4.547 1.00 0.00 C ATOM 419 CE2 TYR A 29 7.591 3.639 4.778 1.00 0.00 C ATOM 420 CZ TYR A 29 6.536 4.440 5.161 1.00 0.00 C ATOM 421 OH TYR A 29 5.689 4.022 6.162 1.00 0.00 O ATOM 0 H TYR A 29 8.924 3.891 0.433 1.00 0.00 H new ATOM 0 HA TYR A 29 7.450 6.211 0.856 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.986 5.015 1.929 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.641 6.685 2.334 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.012 7.025 3.064 1.00 0.00 H new ATOM 0 HD2 TYR A 29 9.266 3.433 3.476 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.499 6.282 4.850 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.753 2.687 5.261 1.00 0.00 H new ATOM 0 HH TYR A 29 5.976 3.143 6.488 1.00 0.00 H new ATOM 431 N ASN A 30 10.339 6.730 -0.658 1.00 0.00 N ATOM 432 CA ASN A 30 11.096 7.704 -1.437 1.00 0.00 C ATOM 433 C ASN A 30 10.443 7.939 -2.796 1.00 0.00 C ATOM 434 O ASN A 30 10.661 8.972 -3.431 1.00 0.00 O ATOM 435 CB ASN A 30 12.537 7.227 -1.626 1.00 0.00 C ATOM 436 CG ASN A 30 13.315 8.105 -2.587 1.00 0.00 C ATOM 437 OD1 ASN A 30 13.538 9.286 -2.325 1.00 0.00 O ATOM 438 ND2 ASN A 30 13.732 7.528 -3.709 1.00 0.00 N ATOM 0 H ASN A 30 10.780 5.813 -0.586 1.00 0.00 H new ATOM 0 HA ASN A 30 11.101 8.646 -0.889 1.00 0.00 H new ATOM 0 HB2 ASN A 30 13.042 7.214 -0.660 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.532 6.202 -1.997 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.260 8.068 -4.394 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.524 6.545 -3.885 1.00 0.00 H new ATOM 445 N LEU A 31 9.642 6.975 -3.236 1.00 0.00 N ATOM 446 CA LEU A 31 8.957 7.077 -4.519 1.00 0.00 C ATOM 447 C LEU A 31 7.854 8.130 -4.466 1.00 0.00 C ATOM 448 O LEU A 31 7.863 9.092 -5.235 1.00 0.00 O ATOM 449 CB LEU A 31 8.365 5.722 -4.912 1.00 0.00 C ATOM 450 CG LEU A 31 9.349 4.700 -5.484 1.00 0.00 C ATOM 451 CD1 LEU A 31 8.687 3.337 -5.614 1.00 0.00 C ATOM 452 CD2 LEU A 31 9.882 5.168 -6.830 1.00 0.00 C ATOM 0 H LEU A 31 9.451 6.114 -2.723 1.00 0.00 H new ATOM 0 HA LEU A 31 9.687 7.380 -5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.890 5.287 -4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.579 5.891 -5.648 1.00 0.00 H new ATOM 0 HG LEU A 31 10.189 4.608 -4.796 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.402 2.623 -6.023 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.356 2.998 -4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.828 3.412 -6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.580 4.429 -7.222 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.053 5.289 -7.527 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.395 6.122 -6.707 1.00 0.00 H new ATOM 464 N LEU A 32 6.908 7.943 -3.553 1.00 0.00 N ATOM 465 CA LEU A 32 5.799 8.878 -3.398 1.00 0.00 C ATOM 466 C LEU A 32 6.311 10.303 -3.215 1.00 0.00 C ATOM 467 O LEU A 32 5.622 11.267 -3.549 1.00 0.00 O ATOM 468 CB LEU A 32 4.933 8.478 -2.202 1.00 0.00 C ATOM 469 CG LEU A 32 3.791 7.504 -2.497 1.00 0.00 C ATOM 470 CD1 LEU A 32 3.465 6.675 -1.264 1.00 0.00 C ATOM 471 CD2 LEU A 32 2.559 8.258 -2.976 1.00 0.00 C ATOM 0 H LEU A 32 6.886 7.153 -2.909 1.00 0.00 H new ATOM 0 HA LEU A 32 5.195 8.842 -4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.578 8.032 -1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.509 9.383 -1.767 1.00 0.00 H new ATOM 0 HG LEU A 32 4.110 6.828 -3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.650 5.988 -1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.346 6.107 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.165 7.335 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.756 7.550 -3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.238 8.957 -2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.800 8.808 -3.886 1.00 0.00 H new ATOM 483 N MET A 33 7.523 10.428 -2.685 1.00 0.00 N ATOM 484 CA MET A 33 8.128 11.736 -2.462 1.00 0.00 C ATOM 485 C MET A 33 8.692 12.303 -3.761 1.00 0.00 C ATOM 486 O MET A 33 8.696 13.517 -3.971 1.00 0.00 O ATOM 487 CB MET A 33 9.236 11.637 -1.412 1.00 0.00 C ATOM 488 CG MET A 33 8.722 11.337 -0.013 1.00 0.00 C ATOM 489 SD MET A 33 7.451 12.498 0.524 1.00 0.00 S ATOM 490 CE MET A 33 8.342 14.048 0.415 1.00 0.00 C ATOM 0 H MET A 33 8.105 9.640 -2.402 1.00 0.00 H new ATOM 0 HA MET A 33 7.352 12.410 -2.099 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.937 10.857 -1.708 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.792 12.574 -1.393 1.00 0.00 H new ATOM 0 HG2 MET A 33 8.318 10.325 0.012 1.00 0.00 H new ATOM 0 HG3 MET A 33 9.555 11.365 0.690 1.00 0.00 H new ATOM 0 HE1 MET A 33 7.796 14.820 0.957 1.00 0.00 H new ATOM 0 HE2 MET A 33 9.333 13.929 0.852 1.00 0.00 H new ATOM 0 HE3 MET A 33 8.439 14.339 -0.631 1.00 0.00 H new ATOM 500 N THR A 34 9.168 11.417 -4.631 1.00 0.00 N ATOM 501 CA THR A 34 9.736 11.830 -5.908 1.00 0.00 C ATOM 502 C THR A 34 8.767 11.559 -7.054 1.00 0.00 C ATOM 503 O THR A 34 8.199 12.485 -7.632 1.00 0.00 O ATOM 504 CB THR A 34 11.065 11.105 -6.193 1.00 0.00 C ATOM 505 OG1 THR A 34 10.838 9.697 -6.314 1.00 0.00 O ATOM 506 CG2 THR A 34 12.072 11.368 -5.084 1.00 0.00 C ATOM 0 H THR A 34 9.171 10.409 -4.474 1.00 0.00 H new ATOM 0 HA THR A 34 9.923 12.902 -5.839 1.00 0.00 H new ATOM 0 HB THR A 34 11.470 11.489 -7.129 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.757 9.301 -5.421 1.00 0.00 H new ATOM 0 HG21 THR A 34 13.003 10.846 -5.306 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.264 12.439 -5.013 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.672 11.008 -4.136 1.00 0.00 H new ATOM 514 N VAL A 35 8.582 10.282 -7.376 1.00 0.00 N ATOM 515 CA VAL A 35 7.680 9.889 -8.452 1.00 0.00 C ATOM 516 C VAL A 35 6.238 10.264 -8.126 1.00 0.00 C ATOM 517 O VAL A 35 5.422 10.472 -9.022 1.00 0.00 O ATOM 518 CB VAL A 35 7.755 8.374 -8.722 1.00 0.00 C ATOM 519 CG1 VAL A 35 9.176 7.966 -9.080 1.00 0.00 C ATOM 520 CG2 VAL A 35 7.255 7.593 -7.517 1.00 0.00 C ATOM 0 H VAL A 35 9.045 9.503 -6.907 1.00 0.00 H new ATOM 0 HA VAL A 35 8.000 10.427 -9.345 1.00 0.00 H new ATOM 0 HB VAL A 35 7.111 8.141 -9.570 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.210 6.893 -9.267 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.494 8.501 -9.975 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.844 8.212 -8.254 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.315 6.525 -7.725 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.871 7.829 -6.649 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.220 7.865 -7.311 1.00 0.00 H new ATOM 530 N GLY A 36 5.933 10.350 -6.834 1.00 0.00 N ATOM 531 CA GLY A 36 4.590 10.701 -6.412 1.00 0.00 C ATOM 532 C GLY A 36 4.505 12.109 -5.858 1.00 0.00 C ATOM 533 O GLY A 36 5.527 12.766 -5.658 1.00 0.00 O ATOM 0 H GLY A 36 6.592 10.183 -6.073 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.910 10.605 -7.259 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.255 9.994 -5.653 1.00 0.00 H new ATOM 537 N GLN A 37 3.285 12.574 -5.611 1.00 0.00 N ATOM 538 CA GLN A 37 3.072 13.915 -5.080 1.00 0.00 C ATOM 539 C GLN A 37 1.775 13.984 -4.281 1.00 0.00 C ATOM 540 O GLN A 37 1.015 13.017 -4.225 1.00 0.00 O ATOM 541 CB GLN A 37 3.040 14.938 -6.217 1.00 0.00 C ATOM 542 CG GLN A 37 4.418 15.422 -6.639 1.00 0.00 C ATOM 543 CD GLN A 37 4.370 16.334 -7.849 1.00 0.00 C ATOM 544 OE1 GLN A 37 3.526 17.226 -7.935 1.00 0.00 O ATOM 545 NE2 GLN A 37 5.280 16.116 -8.791 1.00 0.00 N ATOM 0 H GLN A 37 2.429 12.042 -5.770 1.00 0.00 H new ATOM 0 HA GLN A 37 3.901 14.150 -4.413 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.540 14.496 -7.079 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.442 15.795 -5.907 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.883 15.952 -5.808 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.049 14.561 -6.862 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.961 15.365 -8.678 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.298 16.699 -9.627 1.00 0.00 H new ATOM 554 N VAL A 38 1.527 15.135 -3.662 1.00 0.00 N ATOM 555 CA VAL A 38 0.322 15.331 -2.866 1.00 0.00 C ATOM 556 C VAL A 38 -0.895 14.719 -3.552 1.00 0.00 C ATOM 557 O VAL A 38 -1.076 14.863 -4.762 1.00 0.00 O ATOM 558 CB VAL A 38 0.055 16.826 -2.609 1.00 0.00 C ATOM 559 CG1 VAL A 38 -1.042 17.002 -1.571 1.00 0.00 C ATOM 560 CG2 VAL A 38 1.333 17.527 -2.172 1.00 0.00 C ATOM 0 H VAL A 38 2.145 15.945 -3.697 1.00 0.00 H new ATOM 0 HA VAL A 38 0.488 14.831 -1.912 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.283 17.283 -3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.217 18.065 -1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.960 16.536 -1.929 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.737 16.532 -0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.127 18.582 -1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.703 17.070 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.086 17.431 -2.954 1.00 0.00 H new ATOM 570 N CYS A 39 -1.727 14.038 -2.772 1.00 0.00 N ATOM 571 CA CYS A 39 -2.928 13.404 -3.304 1.00 0.00 C ATOM 572 C CYS A 39 -2.566 12.271 -4.260 1.00 0.00 C ATOM 573 O CYS A 39 -3.125 12.164 -5.351 1.00 0.00 O ATOM 574 CB CYS A 39 -3.798 14.435 -4.024 1.00 0.00 C ATOM 575 SG CYS A 39 -4.220 15.876 -3.016 1.00 0.00 S ATOM 0 H CYS A 39 -1.592 13.911 -1.769 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.489 12.986 -2.468 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.277 14.772 -4.920 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.718 13.952 -4.352 1.00 0.00 H new ATOM 0 HG CYS A 39 -5.455 16.214 -3.238 1.00 0.00 H new ATOM 581 N SER A 40 -1.627 11.429 -3.842 1.00 0.00 N ATOM 582 CA SER A 40 -1.186 10.307 -4.663 1.00 0.00 C ATOM 583 C SER A 40 -1.045 9.041 -3.822 1.00 0.00 C ATOM 584 O SER A 40 -0.560 9.084 -2.692 1.00 0.00 O ATOM 585 CB SER A 40 0.146 10.634 -5.339 1.00 0.00 C ATOM 586 OG SER A 40 0.022 11.759 -6.192 1.00 0.00 O ATOM 0 H SER A 40 -1.157 11.502 -2.940 1.00 0.00 H new ATOM 0 HA SER A 40 -1.941 10.132 -5.430 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.904 10.830 -4.581 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.487 9.773 -5.914 1.00 0.00 H new ATOM 0 HG SER A 40 0.347 12.559 -5.728 1.00 0.00 H new ATOM 592 N PHE A 41 -1.474 7.915 -4.383 1.00 0.00 N ATOM 593 CA PHE A 41 -1.397 6.637 -3.686 1.00 0.00 C ATOM 594 C PHE A 41 -0.732 5.579 -4.562 1.00 0.00 C ATOM 595 O PHE A 41 -0.440 5.821 -5.734 1.00 0.00 O ATOM 596 CB PHE A 41 -2.796 6.170 -3.277 1.00 0.00 C ATOM 597 CG PHE A 41 -3.569 5.537 -4.398 1.00 0.00 C ATOM 598 CD1 PHE A 41 -4.121 6.316 -5.403 1.00 0.00 C ATOM 599 CD2 PHE A 41 -3.743 4.164 -4.449 1.00 0.00 C ATOM 600 CE1 PHE A 41 -4.833 5.736 -6.435 1.00 0.00 C ATOM 601 CE2 PHE A 41 -4.454 3.578 -5.479 1.00 0.00 C ATOM 602 CZ PHE A 41 -4.999 4.366 -6.474 1.00 0.00 C ATOM 0 H PHE A 41 -1.878 7.862 -5.318 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.791 6.776 -2.791 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.707 5.455 -2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.358 7.023 -2.895 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.993 7.388 -5.379 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.318 3.543 -3.674 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.260 6.354 -7.211 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.583 2.506 -5.506 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.554 3.911 -7.281 1.00 0.00 H new ATOM 612 N LEU A 42 -0.495 4.406 -3.986 1.00 0.00 N ATOM 613 CA LEU A 42 0.136 3.310 -4.713 1.00 0.00 C ATOM 614 C LEU A 42 -0.081 1.983 -3.992 1.00 0.00 C ATOM 615 O LEU A 42 -0.023 1.914 -2.765 1.00 0.00 O ATOM 616 CB LEU A 42 1.634 3.576 -4.876 1.00 0.00 C ATOM 617 CG LEU A 42 2.489 3.389 -3.623 1.00 0.00 C ATOM 618 CD1 LEU A 42 2.782 1.914 -3.391 1.00 0.00 C ATOM 619 CD2 LEU A 42 3.784 4.179 -3.738 1.00 0.00 C ATOM 0 H LEU A 42 -0.730 4.189 -3.017 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.325 3.247 -5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.017 2.916 -5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.765 4.598 -5.231 1.00 0.00 H new ATOM 0 HG LEU A 42 1.931 3.767 -2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.392 1.801 -2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.845 1.373 -3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.320 1.511 -4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.380 4.034 -2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.346 3.832 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.555 5.238 -3.855 1.00 0.00 H new ATOM 631 N VAL A 43 -0.328 0.929 -4.765 1.00 0.00 N ATOM 632 CA VAL A 43 -0.550 -0.397 -4.201 1.00 0.00 C ATOM 633 C VAL A 43 0.719 -1.240 -4.263 1.00 0.00 C ATOM 634 O VAL A 43 1.403 -1.275 -5.286 1.00 0.00 O ATOM 635 CB VAL A 43 -1.681 -1.138 -4.938 1.00 0.00 C ATOM 636 CG1 VAL A 43 -1.819 -2.559 -4.414 1.00 0.00 C ATOM 637 CG2 VAL A 43 -2.993 -0.380 -4.798 1.00 0.00 C ATOM 0 H VAL A 43 -0.379 0.968 -5.783 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.837 -0.254 -3.159 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.428 -1.190 -5.997 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.623 -3.067 -4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.884 -3.097 -4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.049 -2.533 -3.349 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.782 -0.917 -5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.254 -0.295 -3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.885 0.617 -5.226 1.00 0.00 H new ATOM 647 N ARG A 44 1.028 -1.917 -3.162 1.00 0.00 N ATOM 648 CA ARG A 44 2.215 -2.759 -3.091 1.00 0.00 C ATOM 649 C ARG A 44 1.998 -3.925 -2.130 1.00 0.00 C ATOM 650 O ARG A 44 1.402 -3.779 -1.063 1.00 0.00 O ATOM 651 CB ARG A 44 3.425 -1.936 -2.644 1.00 0.00 C ATOM 652 CG ARG A 44 4.441 -2.732 -1.842 1.00 0.00 C ATOM 653 CD ARG A 44 5.848 -2.184 -2.025 1.00 0.00 C ATOM 654 NE ARG A 44 6.868 -3.186 -1.727 1.00 0.00 N ATOM 655 CZ ARG A 44 7.128 -3.629 -0.502 1.00 0.00 C ATOM 656 NH1 ARG A 44 6.445 -3.161 0.534 1.00 0.00 N ATOM 657 NH2 ARG A 44 8.072 -4.542 -0.311 1.00 0.00 N ATOM 0 H ARG A 44 0.472 -1.899 -2.307 1.00 0.00 H new ATOM 0 HA ARG A 44 2.404 -3.160 -4.087 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.915 -1.519 -3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.079 -1.095 -2.043 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.174 -2.706 -0.786 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.413 -3.777 -2.152 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.971 -1.835 -3.050 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.988 -1.320 -1.376 1.00 0.00 H new ATOM 0 HE ARG A 44 7.411 -3.567 -2.502 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.718 -2.460 0.391 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.646 -3.503 1.474 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.599 -4.905 -1.105 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.270 -4.881 0.630 1.00 0.00 H new ATOM 671 N PRO A 45 2.491 -5.111 -2.517 1.00 0.00 N ATOM 672 CA PRO A 45 2.363 -6.325 -1.705 1.00 0.00 C ATOM 673 C PRO A 45 3.218 -6.271 -0.443 1.00 0.00 C ATOM 674 O PRO A 45 4.386 -5.884 -0.489 1.00 0.00 O ATOM 675 CB PRO A 45 2.860 -7.431 -2.640 1.00 0.00 C ATOM 676 CG PRO A 45 3.775 -6.740 -3.592 1.00 0.00 C ATOM 677 CD PRO A 45 3.213 -5.358 -3.777 1.00 0.00 C ATOM 0 HA PRO A 45 1.343 -6.473 -1.351 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.381 -8.212 -2.087 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.032 -7.909 -3.163 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.790 -6.699 -3.197 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.824 -7.272 -4.542 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.001 -4.622 -3.939 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.547 -5.307 -4.638 1.00 0.00 H new ATOM 685 N SER A 46 2.628 -6.661 0.682 1.00 0.00 N ATOM 686 CA SER A 46 3.335 -6.653 1.958 1.00 0.00 C ATOM 687 C SER A 46 4.676 -7.371 1.840 1.00 0.00 C ATOM 688 O SER A 46 4.925 -8.090 0.872 1.00 0.00 O ATOM 689 CB SER A 46 2.482 -7.317 3.041 1.00 0.00 C ATOM 690 OG SER A 46 3.238 -7.542 4.218 1.00 0.00 O ATOM 0 H SER A 46 1.663 -6.986 0.736 1.00 0.00 H new ATOM 0 HA SER A 46 3.521 -5.616 2.236 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.624 -6.685 3.271 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.090 -8.264 2.670 1.00 0.00 H new ATOM 0 HG SER A 46 2.670 -7.965 4.895 1.00 0.00 H new ATOM 757 N ASP A 52 -0.251 -10.520 1.625 1.00 0.00 N ATOM 758 CA ASP A 52 -0.949 -9.336 2.113 1.00 0.00 C ATOM 759 C ASP A 52 -0.627 -8.120 1.249 1.00 0.00 C ATOM 760 O ASP A 52 0.338 -8.128 0.484 1.00 0.00 O ATOM 761 CB ASP A 52 -0.569 -9.058 3.568 1.00 0.00 C ATOM 762 CG ASP A 52 -1.423 -9.839 4.548 1.00 0.00 C ATOM 763 OD1 ASP A 52 -1.425 -11.085 4.470 1.00 0.00 O ATOM 764 OD2 ASP A 52 -2.089 -9.204 5.393 1.00 0.00 O ATOM 0 HA ASP A 52 -2.021 -9.527 2.055 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.480 -9.312 3.722 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.672 -7.992 3.770 1.00 0.00 H new ATOM 769 N TYR A 53 -1.442 -7.079 1.375 1.00 0.00 N ATOM 770 CA TYR A 53 -1.246 -5.857 0.604 1.00 0.00 C ATOM 771 C TYR A 53 -1.322 -4.627 1.503 1.00 0.00 C ATOM 772 O TYR A 53 -1.924 -4.665 2.576 1.00 0.00 O ATOM 773 CB TYR A 53 -2.293 -5.757 -0.506 1.00 0.00 C ATOM 774 CG TYR A 53 -2.090 -6.756 -1.623 1.00 0.00 C ATOM 775 CD1 TYR A 53 -1.177 -6.512 -2.642 1.00 0.00 C ATOM 776 CD2 TYR A 53 -2.811 -7.943 -1.660 1.00 0.00 C ATOM 777 CE1 TYR A 53 -0.988 -7.421 -3.665 1.00 0.00 C ATOM 778 CE2 TYR A 53 -2.627 -8.859 -2.678 1.00 0.00 C ATOM 779 CZ TYR A 53 -1.715 -8.593 -3.678 1.00 0.00 C ATOM 780 OH TYR A 53 -1.530 -9.502 -4.695 1.00 0.00 O ATOM 0 H TYR A 53 -2.245 -7.057 2.004 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.253 -5.895 0.156 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.283 -5.904 -0.074 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.273 -4.750 -0.923 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.605 -5.596 -2.634 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.528 -8.153 -0.880 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.275 -7.215 -4.450 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.194 -9.778 -2.691 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.118 -10.274 -4.555 1.00 0.00 H new ATOM 790 N SER A 54 -0.707 -3.537 1.056 1.00 0.00 N ATOM 791 CA SER A 54 -0.702 -2.295 1.820 1.00 0.00 C ATOM 792 C SER A 54 -0.700 -1.085 0.890 1.00 0.00 C ATOM 793 O SER A 54 0.168 -0.952 0.027 1.00 0.00 O ATOM 794 CB SER A 54 0.518 -2.245 2.743 1.00 0.00 C ATOM 795 OG SER A 54 0.269 -2.937 3.954 1.00 0.00 O ATOM 0 H SER A 54 -0.206 -3.489 0.169 1.00 0.00 H new ATOM 0 HA SER A 54 -1.608 -2.265 2.425 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.378 -2.686 2.239 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.772 -1.207 2.959 1.00 0.00 H new ATOM 0 HG SER A 54 -0.150 -2.329 4.598 1.00 0.00 H new ATOM 801 N LEU A 55 -1.679 -0.206 1.073 1.00 0.00 N ATOM 802 CA LEU A 55 -1.792 0.994 0.251 1.00 0.00 C ATOM 803 C LEU A 55 -1.145 2.190 0.942 1.00 0.00 C ATOM 804 O LEU A 55 -1.211 2.325 2.164 1.00 0.00 O ATOM 805 CB LEU A 55 -3.262 1.296 -0.045 1.00 0.00 C ATOM 806 CG LEU A 55 -3.532 2.515 -0.929 1.00 0.00 C ATOM 807 CD1 LEU A 55 -4.819 2.328 -1.717 1.00 0.00 C ATOM 808 CD2 LEU A 55 -3.600 3.780 -0.086 1.00 0.00 C ATOM 0 H LEU A 55 -2.405 -0.301 1.783 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.268 0.813 -0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.703 0.421 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.781 1.437 0.903 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.709 2.617 -1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.995 3.205 -2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.733 1.445 -2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.653 2.200 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.793 4.637 -0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.404 3.688 0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.652 3.923 0.433 1.00 0.00 H new ATOM 820 N TYR A 56 -0.522 3.057 0.152 1.00 0.00 N ATOM 821 CA TYR A 56 0.137 4.243 0.687 1.00 0.00 C ATOM 822 C TYR A 56 -0.505 5.516 0.145 1.00 0.00 C ATOM 823 O TYR A 56 -1.144 5.503 -0.908 1.00 0.00 O ATOM 824 CB TYR A 56 1.627 4.223 0.342 1.00 0.00 C ATOM 825 CG TYR A 56 2.412 3.179 1.104 1.00 0.00 C ATOM 826 CD1 TYR A 56 2.248 1.825 0.835 1.00 0.00 C ATOM 827 CD2 TYR A 56 3.315 3.545 2.094 1.00 0.00 C ATOM 828 CE1 TYR A 56 2.962 0.867 1.529 1.00 0.00 C ATOM 829 CE2 TYR A 56 4.034 2.594 2.792 1.00 0.00 C ATOM 830 CZ TYR A 56 3.854 1.257 2.506 1.00 0.00 C ATOM 831 OH TYR A 56 4.567 0.307 3.200 1.00 0.00 O ATOM 0 H TYR A 56 -0.459 2.961 -0.862 1.00 0.00 H new ATOM 0 HA TYR A 56 0.021 4.233 1.771 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.741 4.043 -0.727 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.052 5.206 0.547 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.550 1.517 0.070 1.00 0.00 H new ATOM 0 HD2 TYR A 56 3.457 4.591 2.322 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.822 -0.181 1.308 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.733 2.896 3.558 1.00 0.00 H new ATOM 0 HH TYR A 56 5.152 0.748 3.851 1.00 0.00 H new ATOM 841 N PHE A 57 -0.330 6.615 0.871 1.00 0.00 N ATOM 842 CA PHE A 57 -0.892 7.897 0.464 1.00 0.00 C ATOM 843 C PHE A 57 -0.005 9.050 0.923 1.00 0.00 C ATOM 844 O PHE A 57 0.480 9.062 2.054 1.00 0.00 O ATOM 845 CB PHE A 57 -2.302 8.065 1.036 1.00 0.00 C ATOM 846 CG PHE A 57 -3.053 9.224 0.447 1.00 0.00 C ATOM 847 CD1 PHE A 57 -3.088 9.421 -0.924 1.00 0.00 C ATOM 848 CD2 PHE A 57 -3.725 10.119 1.265 1.00 0.00 C ATOM 849 CE1 PHE A 57 -3.779 10.487 -1.469 1.00 0.00 C ATOM 850 CE2 PHE A 57 -4.418 11.186 0.726 1.00 0.00 C ATOM 851 CZ PHE A 57 -4.444 11.371 -0.642 1.00 0.00 C ATOM 0 H PHE A 57 0.197 6.643 1.744 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.944 7.913 -0.625 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.868 7.150 0.862 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.234 8.197 2.116 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.569 8.733 -1.575 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.707 9.981 2.336 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.799 10.628 -2.540 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.939 11.875 1.374 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.983 12.206 -1.065 1.00 0.00 H new ATOM 861 N ARG A 58 0.204 10.018 0.036 1.00 0.00 N ATOM 862 CA ARG A 58 1.035 11.174 0.348 1.00 0.00 C ATOM 863 C ARG A 58 0.180 12.426 0.524 1.00 0.00 C ATOM 864 O ARG A 58 -0.602 12.786 -0.357 1.00 0.00 O ATOM 865 CB ARG A 58 2.068 11.400 -0.757 1.00 0.00 C ATOM 866 CG ARG A 58 2.706 12.780 -0.722 1.00 0.00 C ATOM 867 CD ARG A 58 4.119 12.754 -1.283 1.00 0.00 C ATOM 868 NE ARG A 58 4.682 14.096 -1.409 1.00 0.00 N ATOM 869 CZ ARG A 58 5.160 14.792 -0.383 1.00 0.00 C ATOM 870 NH1 ARG A 58 5.144 14.276 0.838 1.00 0.00 N ATOM 871 NH2 ARG A 58 5.656 16.007 -0.578 1.00 0.00 N ATOM 0 H ARG A 58 -0.191 10.024 -0.904 1.00 0.00 H new ATOM 0 HA ARG A 58 1.554 10.974 1.285 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.850 10.645 -0.672 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.589 11.255 -1.725 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.098 13.478 -1.297 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.727 13.146 0.304 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.756 12.153 -0.634 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.113 12.270 -2.260 1.00 0.00 H new ATOM 0 HE ARG A 58 4.710 14.522 -2.335 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.764 13.342 0.992 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.512 14.813 1.623 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.671 16.407 -1.516 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.023 16.541 0.210 1.00 0.00 H new ATOM 885 N THR A 59 0.334 13.086 1.668 1.00 0.00 N ATOM 886 CA THR A 59 -0.424 14.296 1.960 1.00 0.00 C ATOM 887 C THR A 59 0.504 15.473 2.235 1.00 0.00 C ATOM 888 O THR A 59 1.628 15.294 2.699 1.00 0.00 O ATOM 889 CB THR A 59 -1.355 14.097 3.171 1.00 0.00 C ATOM 890 OG1 THR A 59 -0.585 13.764 4.331 1.00 0.00 O ATOM 891 CG2 THR A 59 -2.371 12.998 2.898 1.00 0.00 C ATOM 0 H THR A 59 0.977 12.802 2.407 1.00 0.00 H new ATOM 0 HA THR A 59 -1.028 14.511 1.078 1.00 0.00 H new ATOM 0 HB THR A 59 -1.891 15.030 3.346 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.006 13.009 4.126 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.017 12.876 3.767 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.975 13.268 2.032 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.850 12.062 2.699 1.00 0.00 H new ATOM 899 N ASN A 60 0.024 16.679 1.945 1.00 0.00 N ATOM 900 CA ASN A 60 0.812 17.887 2.162 1.00 0.00 C ATOM 901 C ASN A 60 1.564 17.816 3.487 1.00 0.00 C ATOM 902 O ASN A 60 2.629 18.413 3.640 1.00 0.00 O ATOM 903 CB ASN A 60 -0.092 19.121 2.141 1.00 0.00 C ATOM 904 CG ASN A 60 -1.478 18.832 2.686 1.00 0.00 C ATOM 905 OD1 ASN A 60 -1.658 18.652 3.890 1.00 0.00 O ATOM 906 ND2 ASN A 60 -2.464 18.784 1.798 1.00 0.00 N ATOM 0 H ASN A 60 -0.906 16.845 1.560 1.00 0.00 H new ATOM 0 HA ASN A 60 1.541 17.965 1.355 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.368 19.915 2.729 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.176 19.489 1.118 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.418 18.592 2.105 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.268 18.940 0.809 1.00 0.00 H new ATOM 913 N GLU A 61 1.003 17.079 4.441 1.00 0.00 N ATOM 914 CA GLU A 61 1.621 16.930 5.753 1.00 0.00 C ATOM 915 C GLU A 61 2.725 15.878 5.718 1.00 0.00 C ATOM 916 O GLU A 61 3.891 16.178 5.969 1.00 0.00 O ATOM 917 CB GLU A 61 0.569 16.547 6.796 1.00 0.00 C ATOM 918 CG GLU A 61 -0.129 17.742 7.425 1.00 0.00 C ATOM 919 CD GLU A 61 0.671 18.354 8.559 1.00 0.00 C ATOM 920 OE1 GLU A 61 0.746 17.730 9.637 1.00 0.00 O ATOM 921 OE2 GLU A 61 1.221 19.459 8.367 1.00 0.00 O ATOM 0 H GLU A 61 0.122 16.576 4.330 1.00 0.00 H new ATOM 0 HA GLU A 61 2.064 17.887 6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.178 15.906 6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.045 15.960 7.582 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.306 18.499 6.661 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.105 17.433 7.799 1.00 0.00 H new ATOM 928 N ASN A 62 2.347 14.643 5.406 1.00 0.00 N ATOM 929 CA ASN A 62 3.304 13.544 5.339 1.00 0.00 C ATOM 930 C ASN A 62 2.693 12.332 4.644 1.00 0.00 C ATOM 931 O ASN A 62 1.544 12.370 4.202 1.00 0.00 O ATOM 932 CB ASN A 62 3.770 13.160 6.745 1.00 0.00 C ATOM 933 CG ASN A 62 2.625 12.704 7.628 1.00 0.00 C ATOM 934 OD1 ASN A 62 1.678 13.453 7.872 1.00 0.00 O ATOM 935 ND2 ASN A 62 2.706 11.471 8.113 1.00 0.00 N ATOM 0 H ASN A 62 1.385 14.378 5.196 1.00 0.00 H new ATOM 0 HA ASN A 62 4.163 13.878 4.758 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.511 12.363 6.675 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.264 14.015 7.207 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.965 11.110 8.714 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.509 10.885 7.885 1.00 0.00 H new ATOM 942 N ILE A 63 3.469 11.257 4.550 1.00 0.00 N ATOM 943 CA ILE A 63 3.003 10.033 3.911 1.00 0.00 C ATOM 944 C ILE A 63 2.461 9.047 4.940 1.00 0.00 C ATOM 945 O ILE A 63 3.029 8.888 6.020 1.00 0.00 O ATOM 946 CB ILE A 63 4.129 9.353 3.109 1.00 0.00 C ATOM 947 CG1 ILE A 63 4.678 10.309 2.048 1.00 0.00 C ATOM 948 CG2 ILE A 63 3.621 8.072 2.464 1.00 0.00 C ATOM 949 CD1 ILE A 63 6.017 9.885 1.487 1.00 0.00 C ATOM 0 H ILE A 63 4.423 11.209 4.908 1.00 0.00 H new ATOM 0 HA ILE A 63 2.203 10.319 3.228 1.00 0.00 H new ATOM 0 HB ILE A 63 4.938 9.096 3.793 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.959 10.385 1.232 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.774 11.304 2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.428 7.603 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.274 7.388 3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.797 8.306 1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.345 10.609 0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.750 9.837 2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.923 8.903 1.023 1.00 0.00 H new ATOM 961 N GLN A 64 1.360 8.386 4.596 1.00 0.00 N ATOM 962 CA GLN A 64 0.742 7.414 5.490 1.00 0.00 C ATOM 963 C GLN A 64 0.891 5.999 4.942 1.00 0.00 C ATOM 964 O GLN A 64 1.503 5.789 3.895 1.00 0.00 O ATOM 965 CB GLN A 64 -0.738 7.743 5.690 1.00 0.00 C ATOM 966 CG GLN A 64 -0.985 9.157 6.191 1.00 0.00 C ATOM 967 CD GLN A 64 -2.409 9.620 5.953 1.00 0.00 C ATOM 968 OE1 GLN A 64 -3.251 9.561 6.850 1.00 0.00 O ATOM 969 NE2 GLN A 64 -2.686 10.085 4.741 1.00 0.00 N ATOM 0 H GLN A 64 0.878 8.506 3.705 1.00 0.00 H new ATOM 0 HA GLN A 64 1.252 7.467 6.452 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.263 7.604 4.745 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.166 7.035 6.400 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.765 9.204 7.258 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.297 9.840 5.693 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.957 10.116 4.028 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.627 10.412 4.523 1.00 0.00 H new ATOM 978 N ARG A 65 0.329 5.030 5.658 1.00 0.00 N ATOM 979 CA ARG A 65 0.401 3.634 5.244 1.00 0.00 C ATOM 980 C ARG A 65 -0.777 2.841 5.802 1.00 0.00 C ATOM 981 O ARG A 65 -1.017 2.832 7.010 1.00 0.00 O ATOM 982 CB ARG A 65 1.717 3.009 5.710 1.00 0.00 C ATOM 983 CG ARG A 65 1.841 1.532 5.377 1.00 0.00 C ATOM 984 CD ARG A 65 2.798 0.825 6.324 1.00 0.00 C ATOM 985 NE ARG A 65 2.154 0.466 7.585 1.00 0.00 N ATOM 986 CZ ARG A 65 2.675 -0.388 8.459 1.00 0.00 C ATOM 987 NH1 ARG A 65 3.842 -0.967 8.210 1.00 0.00 N ATOM 988 NH2 ARG A 65 2.029 -0.664 9.584 1.00 0.00 N ATOM 0 H ARG A 65 -0.181 5.186 6.527 1.00 0.00 H new ATOM 0 HA ARG A 65 0.357 3.601 4.155 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.547 3.547 5.252 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.809 3.139 6.788 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.859 1.062 5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.192 1.417 4.351 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.184 -0.075 5.845 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.653 1.471 6.524 1.00 0.00 H new ATOM 0 HE ARG A 65 1.255 0.894 7.807 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.341 -0.757 7.346 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.240 -1.622 8.883 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.131 -0.220 9.779 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.430 -1.320 10.254 1.00 0.00 H new ATOM 1002 N PHE A 66 -1.509 2.175 4.915 1.00 0.00 N ATOM 1003 CA PHE A 66 -2.663 1.380 5.318 1.00 0.00 C ATOM 1004 C PHE A 66 -2.341 -0.111 5.266 1.00 0.00 C ATOM 1005 O PHE A 66 -1.223 -0.505 4.934 1.00 0.00 O ATOM 1006 CB PHE A 66 -3.860 1.686 4.415 1.00 0.00 C ATOM 1007 CG PHE A 66 -4.351 3.101 4.531 1.00 0.00 C ATOM 1008 CD1 PHE A 66 -5.133 3.491 5.606 1.00 0.00 C ATOM 1009 CD2 PHE A 66 -4.032 4.040 3.563 1.00 0.00 C ATOM 1010 CE1 PHE A 66 -5.586 4.793 5.715 1.00 0.00 C ATOM 1011 CE2 PHE A 66 -4.482 5.342 3.667 1.00 0.00 C ATOM 1012 CZ PHE A 66 -5.261 5.719 4.744 1.00 0.00 C ATOM 0 H PHE A 66 -1.323 2.170 3.912 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.914 1.644 6.345 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.583 1.489 3.379 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.675 1.005 4.662 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.392 2.770 6.367 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.425 3.751 2.718 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.193 5.085 6.559 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.225 6.065 2.907 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.615 6.736 4.826 1.00 0.00 H new ATOM 1022 N LYS A 67 -3.329 -0.935 5.597 1.00 0.00 N ATOM 1023 CA LYS A 67 -3.153 -2.383 5.588 1.00 0.00 C ATOM 1024 C LYS A 67 -4.305 -3.066 4.857 1.00 0.00 C ATOM 1025 O LYS A 67 -5.435 -2.578 4.868 1.00 0.00 O ATOM 1026 CB LYS A 67 -3.057 -2.914 7.020 1.00 0.00 C ATOM 1027 CG LYS A 67 -1.735 -2.598 7.699 1.00 0.00 C ATOM 1028 CD LYS A 67 -1.776 -1.249 8.396 1.00 0.00 C ATOM 1029 CE LYS A 67 -2.387 -1.357 9.785 1.00 0.00 C ATOM 1030 NZ LYS A 67 -1.428 -1.930 10.770 1.00 0.00 N ATOM 0 H LYS A 67 -4.260 -0.625 5.875 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.226 -2.609 5.060 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.869 -2.491 7.611 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.201 -3.994 7.008 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.502 -3.377 8.425 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.935 -2.602 6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.766 -0.847 8.472 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.355 -0.546 7.797 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.705 -0.370 10.120 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.279 -1.981 9.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.838 -1.878 11.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.236 -2.923 10.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.540 -1.389 10.745 1.00 0.00 H new ATOM 1044 N ILE A 68 -4.010 -4.197 4.226 1.00 0.00 N ATOM 1045 CA ILE A 68 -5.022 -4.948 3.493 1.00 0.00 C ATOM 1046 C ILE A 68 -4.850 -6.449 3.700 1.00 0.00 C ATOM 1047 O ILE A 68 -3.887 -7.047 3.219 1.00 0.00 O ATOM 1048 CB ILE A 68 -4.969 -4.640 1.985 1.00 0.00 C ATOM 1049 CG1 ILE A 68 -5.255 -3.158 1.734 1.00 0.00 C ATOM 1050 CG2 ILE A 68 -5.961 -5.512 1.231 1.00 0.00 C ATOM 1051 CD1 ILE A 68 -4.804 -2.678 0.373 1.00 0.00 C ATOM 0 H ILE A 68 -3.079 -4.614 4.207 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.991 -4.638 3.885 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.967 -4.864 1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.326 -2.980 1.837 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.759 -2.565 2.502 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.912 -5.282 0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.715 -6.562 1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.969 -5.317 1.598 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.039 -1.619 0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.728 -2.823 0.274 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.320 -3.245 -0.402 1.00 0.00 H new ATOM 1063 N CYS A 69 -5.791 -7.052 4.418 1.00 0.00 N ATOM 1064 CA CYS A 69 -5.745 -8.485 4.689 1.00 0.00 C ATOM 1065 C CYS A 69 -6.638 -9.251 3.718 1.00 0.00 C ATOM 1066 O CYS A 69 -7.778 -8.868 3.450 1.00 0.00 O ATOM 1067 CB CYS A 69 -6.177 -8.767 6.128 1.00 0.00 C ATOM 1068 SG CYS A 69 -5.395 -10.223 6.862 1.00 0.00 S ATOM 0 H CYS A 69 -6.595 -6.572 4.823 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.718 -8.823 4.553 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.947 -7.896 6.742 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.259 -8.898 6.152 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.822 -10.377 8.080 1.00 0.00 H new ATOM 1074 N PRO A 70 -6.110 -10.358 3.175 1.00 0.00 N ATOM 1075 CA PRO A 70 -6.841 -11.200 2.224 1.00 0.00 C ATOM 1076 C PRO A 70 -7.992 -11.954 2.883 1.00 0.00 C ATOM 1077 O PRO A 70 -7.911 -12.333 4.051 1.00 0.00 O ATOM 1078 CB PRO A 70 -5.776 -12.179 1.725 1.00 0.00 C ATOM 1079 CG PRO A 70 -4.773 -12.241 2.825 1.00 0.00 C ATOM 1080 CD PRO A 70 -4.758 -10.873 3.448 1.00 0.00 C ATOM 0 HA PRO A 70 -7.304 -10.612 1.431 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.204 -13.161 1.524 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.324 -11.832 0.796 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.044 -13.001 3.558 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -3.788 -12.506 2.441 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.555 -10.921 4.518 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.990 -10.239 3.006 1.00 0.00 H new ATOM 1088 N THR A 71 -9.063 -12.168 2.126 1.00 0.00 N ATOM 1089 CA THR A 71 -10.230 -12.876 2.636 1.00 0.00 C ATOM 1090 C THR A 71 -10.541 -14.106 1.790 1.00 0.00 C ATOM 1091 O THR A 71 -10.287 -14.141 0.586 1.00 0.00 O ATOM 1092 CB THR A 71 -11.471 -11.964 2.670 1.00 0.00 C ATOM 1093 OG1 THR A 71 -11.742 -11.457 1.359 1.00 0.00 O ATOM 1094 CG2 THR A 71 -11.264 -10.806 3.635 1.00 0.00 C ATOM 0 H THR A 71 -9.146 -11.861 1.157 1.00 0.00 H new ATOM 0 HA THR A 71 -9.990 -13.188 3.652 1.00 0.00 H new ATOM 0 HB THR A 71 -12.320 -12.555 3.013 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.897 -11.259 0.904 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.153 -10.175 3.643 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.087 -11.195 4.638 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.404 -10.217 3.317 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.105 -15.140 2.432 1.00 0.00 N ATOM 1103 CA PRO A 72 -11.464 -16.390 1.757 1.00 0.00 C ATOM 1104 C PRO A 72 -12.639 -16.216 0.801 1.00 0.00 C ATOM 1105 O PRO A 72 -12.878 -17.057 -0.064 1.00 0.00 O ATOM 1106 CB PRO A 72 -11.847 -17.320 2.911 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.277 -16.406 4.006 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.436 -15.167 3.867 1.00 0.00 C ATOM 0 HA PRO A 72 -10.649 -16.768 1.140 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.650 -17.998 2.623 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.003 -17.937 3.219 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.338 -16.169 3.922 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.130 -16.870 4.981 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -11.982 -14.274 4.170 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.540 -15.218 4.485 1.00 0.00 H new ATOM 1116 N ASN A 73 -13.371 -15.118 0.963 1.00 0.00 N ATOM 1117 CA ASN A 73 -14.522 -14.834 0.114 1.00 0.00 C ATOM 1118 C ASN A 73 -14.097 -14.085 -1.145 1.00 0.00 C ATOM 1119 O ASN A 73 -14.759 -13.139 -1.570 1.00 0.00 O ATOM 1120 CB ASN A 73 -15.559 -14.014 0.884 1.00 0.00 C ATOM 1121 CG ASN A 73 -16.404 -14.870 1.807 1.00 0.00 C ATOM 1122 OD1 ASN A 73 -16.227 -14.848 3.026 1.00 0.00 O ATOM 1123 ND2 ASN A 73 -17.327 -15.630 1.230 1.00 0.00 N ATOM 0 H ASN A 73 -13.187 -14.411 1.675 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.967 -15.784 -0.183 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.051 -13.247 1.468 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.208 -13.498 0.177 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -17.925 -16.228 1.801 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -17.438 -15.616 0.216 1.00 0.00 H new ATOM 1130 N ASN A 74 -12.988 -14.516 -1.738 1.00 0.00 N ATOM 1131 CA ASN A 74 -12.475 -13.886 -2.949 1.00 0.00 C ATOM 1132 C ASN A 74 -12.663 -12.373 -2.897 1.00 0.00 C ATOM 1133 O ASN A 74 -13.237 -11.778 -3.809 1.00 0.00 O ATOM 1134 CB ASN A 74 -13.177 -14.457 -4.183 1.00 0.00 C ATOM 1135 CG ASN A 74 -12.842 -15.918 -4.415 1.00 0.00 C ATOM 1136 OD1 ASN A 74 -13.091 -16.767 -3.558 1.00 0.00 O ATOM 1137 ND2 ASN A 74 -12.275 -16.217 -5.577 1.00 0.00 N ATOM 0 H ASN A 74 -12.428 -15.298 -1.400 1.00 0.00 H new ATOM 0 HA ASN A 74 -11.408 -14.099 -3.015 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.255 -14.348 -4.067 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.891 -13.878 -5.061 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -12.027 -17.183 -5.790 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.087 -15.481 -6.257 1.00 0.00 H new ATOM 1144 N GLN A 75 -12.175 -11.758 -1.825 1.00 0.00 N ATOM 1145 CA GLN A 75 -12.290 -10.314 -1.655 1.00 0.00 C ATOM 1146 C GLN A 75 -11.090 -9.759 -0.895 1.00 0.00 C ATOM 1147 O GLN A 75 -10.172 -10.497 -0.537 1.00 0.00 O ATOM 1148 CB GLN A 75 -13.582 -9.968 -0.913 1.00 0.00 C ATOM 1149 CG GLN A 75 -14.815 -9.978 -1.802 1.00 0.00 C ATOM 1150 CD GLN A 75 -16.104 -9.855 -1.013 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -16.241 -8.979 -0.159 1.00 0.00 O ATOM 1152 NE2 GLN A 75 -17.059 -10.733 -1.297 1.00 0.00 N ATOM 0 H GLN A 75 -11.697 -12.236 -1.062 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.314 -9.858 -2.645 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.725 -10.679 -0.099 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.478 -8.982 -0.460 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.750 -9.157 -2.516 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.834 -10.902 -2.380 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.903 -11.443 -2.013 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.949 -10.698 -0.799 1.00 0.00 H new ATOM 1161 N PHE A 76 -11.102 -8.452 -0.653 1.00 0.00 N ATOM 1162 CA PHE A 76 -10.014 -7.797 0.062 1.00 0.00 C ATOM 1163 C PHE A 76 -10.555 -6.890 1.164 1.00 0.00 C ATOM 1164 O PHE A 76 -11.548 -6.188 0.972 1.00 0.00 O ATOM 1165 CB PHE A 76 -9.155 -6.982 -0.908 1.00 0.00 C ATOM 1166 CG PHE A 76 -8.425 -7.825 -1.914 1.00 0.00 C ATOM 1167 CD1 PHE A 76 -9.112 -8.454 -2.939 1.00 0.00 C ATOM 1168 CD2 PHE A 76 -7.051 -7.988 -1.835 1.00 0.00 C ATOM 1169 CE1 PHE A 76 -8.442 -9.231 -3.866 1.00 0.00 C ATOM 1170 CE2 PHE A 76 -6.376 -8.762 -2.759 1.00 0.00 C ATOM 1171 CZ PHE A 76 -7.073 -9.384 -3.777 1.00 0.00 C ATOM 0 H PHE A 76 -11.854 -7.826 -0.942 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.398 -8.570 0.521 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.791 -6.271 -1.435 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.430 -6.400 -0.338 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.183 -8.336 -3.015 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.501 -7.504 -1.041 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.990 -9.718 -4.659 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.305 -8.881 -2.686 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.548 -9.989 -4.502 1.00 0.00 H new ATOM 1181 N MET A 77 -9.896 -6.912 2.317 1.00 0.00 N ATOM 1182 CA MET A 77 -10.310 -6.092 3.450 1.00 0.00 C ATOM 1183 C MET A 77 -9.338 -4.936 3.669 1.00 0.00 C ATOM 1184 O MET A 77 -8.159 -5.150 3.948 1.00 0.00 O ATOM 1185 CB MET A 77 -10.402 -6.943 4.717 1.00 0.00 C ATOM 1186 CG MET A 77 -11.762 -7.593 4.916 1.00 0.00 C ATOM 1187 SD MET A 77 -11.742 -8.870 6.189 1.00 0.00 S ATOM 1188 CE MET A 77 -11.040 -7.965 7.566 1.00 0.00 C ATOM 0 H MET A 77 -9.073 -7.489 2.492 1.00 0.00 H new ATOM 0 HA MET A 77 -11.294 -5.679 3.227 1.00 0.00 H new ATOM 0 HB2 MET A 77 -9.639 -7.721 4.679 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.177 -6.318 5.581 1.00 0.00 H new ATOM 0 HG2 MET A 77 -12.490 -6.828 5.186 1.00 0.00 H new ATOM 0 HG3 MET A 77 -12.093 -8.030 3.974 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.158 -8.546 8.481 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.980 -7.788 7.383 1.00 0.00 H new ATOM 0 HE3 MET A 77 -11.554 -7.010 7.674 1.00 0.00 H new ATOM 1198 N MET A 78 -9.841 -3.713 3.539 1.00 0.00 N ATOM 1199 CA MET A 78 -9.017 -2.525 3.724 1.00 0.00 C ATOM 1200 C MET A 78 -9.322 -1.853 5.059 1.00 0.00 C ATOM 1201 O MET A 78 -9.947 -0.794 5.104 1.00 0.00 O ATOM 1202 CB MET A 78 -9.246 -1.536 2.579 1.00 0.00 C ATOM 1203 CG MET A 78 -8.078 -0.590 2.350 1.00 0.00 C ATOM 1204 SD MET A 78 -7.888 0.613 3.680 1.00 0.00 S ATOM 1205 CE MET A 78 -7.330 2.046 2.762 1.00 0.00 C ATOM 0 H MET A 78 -10.815 -3.519 3.306 1.00 0.00 H new ATOM 0 HA MET A 78 -7.972 -2.835 3.724 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.437 -2.093 1.662 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.141 -0.951 2.789 1.00 0.00 H new ATOM 0 HG2 MET A 78 -7.159 -1.169 2.255 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.222 -0.063 1.407 1.00 0.00 H new ATOM 0 HE1 MET A 78 -7.488 2.944 3.359 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.269 1.943 2.536 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.893 2.124 1.832 1.00 0.00 H new ATOM 1215 N GLY A 79 -8.878 -2.478 6.146 1.00 0.00 N ATOM 1216 CA GLY A 79 -9.114 -1.926 7.467 1.00 0.00 C ATOM 1217 C GLY A 79 -10.165 -2.699 8.239 1.00 0.00 C ATOM 1218 O GLY A 79 -9.849 -3.406 9.195 1.00 0.00 O ATOM 0 H GLY A 79 -8.359 -3.356 6.135 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.181 -1.927 8.030 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.428 -0.887 7.372 1.00 0.00 H new ATOM 1222 N GLY A 80 -11.421 -2.563 7.824 1.00 0.00 N ATOM 1223 CA GLY A 80 -12.503 -3.259 8.495 1.00 0.00 C ATOM 1224 C GLY A 80 -13.728 -3.412 7.615 1.00 0.00 C ATOM 1225 O GLY A 80 -14.826 -3.670 8.108 1.00 0.00 O ATOM 0 H GLY A 80 -11.708 -1.983 7.035 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.158 -4.245 8.807 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.775 -2.715 9.400 1.00 0.00 H new ATOM 1229 N ARG A 81 -13.540 -3.251 6.309 1.00 0.00 N ATOM 1230 CA ARG A 81 -14.640 -3.370 5.359 1.00 0.00 C ATOM 1231 C ARG A 81 -14.340 -4.439 4.312 1.00 0.00 C ATOM 1232 O ARG A 81 -13.226 -4.959 4.243 1.00 0.00 O ATOM 1233 CB ARG A 81 -14.897 -2.027 4.673 1.00 0.00 C ATOM 1234 CG ARG A 81 -15.820 -1.110 5.458 1.00 0.00 C ATOM 1235 CD ARG A 81 -15.043 -0.237 6.431 1.00 0.00 C ATOM 1236 NE ARG A 81 -15.747 1.006 6.733 1.00 0.00 N ATOM 1237 CZ ARG A 81 -15.178 2.046 7.332 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -13.902 1.993 7.690 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -15.884 3.143 7.573 1.00 0.00 N ATOM 0 H ARG A 81 -12.637 -3.038 5.885 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.533 -3.665 5.910 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.945 -1.521 4.515 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.329 -2.208 3.689 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.380 -0.478 4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.549 -1.708 6.006 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.870 -0.789 7.355 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.065 -0.006 6.009 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.730 1.080 6.470 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -13.355 1.152 7.505 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.468 2.793 8.150 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.865 3.189 7.298 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -15.446 3.941 8.033 1.00 0.00 H new ATOM 1253 N TYR A 82 -15.341 -4.762 3.501 1.00 0.00 N ATOM 1254 CA TYR A 82 -15.185 -5.771 2.460 1.00 0.00 C ATOM 1255 C TYR A 82 -15.335 -5.151 1.074 1.00 0.00 C ATOM 1256 O TYR A 82 -16.200 -4.304 0.850 1.00 0.00 O ATOM 1257 CB TYR A 82 -16.214 -6.888 2.645 1.00 0.00 C ATOM 1258 CG TYR A 82 -16.317 -7.387 4.068 1.00 0.00 C ATOM 1259 CD1 TYR A 82 -15.193 -7.840 4.749 1.00 0.00 C ATOM 1260 CD2 TYR A 82 -17.537 -7.406 4.732 1.00 0.00 C ATOM 1261 CE1 TYR A 82 -15.282 -8.297 6.050 1.00 0.00 C ATOM 1262 CE2 TYR A 82 -17.635 -7.860 6.033 1.00 0.00 C ATOM 1263 CZ TYR A 82 -16.505 -8.305 6.687 1.00 0.00 C ATOM 1264 OH TYR A 82 -16.599 -8.760 7.983 1.00 0.00 O ATOM 0 H TYR A 82 -16.269 -4.340 3.544 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.183 -6.191 2.544 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -17.191 -6.527 2.324 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -15.953 -7.723 1.994 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.234 -7.835 4.253 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -18.424 -7.060 4.222 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.399 -8.646 6.565 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -18.591 -7.866 6.535 1.00 0.00 H new ATOM 0 HH TYR A 82 -17.529 -8.698 8.285 1.00 0.00 H new ATOM 1274 N TYR A 83 -14.486 -5.579 0.147 1.00 0.00 N ATOM 1275 CA TYR A 83 -14.521 -5.066 -1.218 1.00 0.00 C ATOM 1276 C TYR A 83 -14.233 -6.176 -2.225 1.00 0.00 C ATOM 1277 O TYR A 83 -13.704 -7.229 -1.870 1.00 0.00 O ATOM 1278 CB TYR A 83 -13.506 -3.934 -1.385 1.00 0.00 C ATOM 1279 CG TYR A 83 -13.874 -2.675 -0.634 1.00 0.00 C ATOM 1280 CD1 TYR A 83 -13.482 -2.491 0.687 1.00 0.00 C ATOM 1281 CD2 TYR A 83 -14.614 -1.669 -1.243 1.00 0.00 C ATOM 1282 CE1 TYR A 83 -13.817 -1.343 1.378 1.00 0.00 C ATOM 1283 CE2 TYR A 83 -14.952 -0.517 -0.560 1.00 0.00 C ATOM 1284 CZ TYR A 83 -14.551 -0.358 0.750 1.00 0.00 C ATOM 1285 OH TYR A 83 -14.887 0.788 1.434 1.00 0.00 O ATOM 0 H TYR A 83 -13.765 -6.280 0.315 1.00 0.00 H new ATOM 0 HA TYR A 83 -15.522 -4.679 -1.409 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -12.530 -4.279 -1.043 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -13.407 -3.699 -2.445 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -12.906 -3.259 1.181 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -14.930 -1.790 -2.268 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -13.506 -1.217 2.405 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -15.527 0.255 -1.049 1.00 0.00 H new ATOM 0 HH TYR A 83 -15.403 1.380 0.847 1.00 0.00 H new ATOM 1295 N ASN A 84 -14.584 -5.930 -3.483 1.00 0.00 N ATOM 1296 CA ASN A 84 -14.364 -6.907 -4.543 1.00 0.00 C ATOM 1297 C ASN A 84 -12.874 -7.084 -4.819 1.00 0.00 C ATOM 1298 O ASN A 84 -12.315 -8.158 -4.600 1.00 0.00 O ATOM 1299 CB ASN A 84 -15.083 -6.473 -5.822 1.00 0.00 C ATOM 1300 CG ASN A 84 -14.913 -7.475 -6.948 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -14.974 -8.685 -6.732 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -14.699 -6.972 -8.158 1.00 0.00 N ATOM 0 H ASN A 84 -15.022 -5.063 -3.793 1.00 0.00 H new ATOM 0 HA ASN A 84 -14.770 -7.863 -4.212 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -16.145 -6.342 -5.612 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.699 -5.504 -6.140 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -14.577 -7.596 -8.956 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -14.656 -5.961 -8.290 1.00 0.00 H new ATOM 1309 N SER A 85 -12.236 -6.021 -5.300 1.00 0.00 N ATOM 1310 CA SER A 85 -10.812 -6.059 -5.609 1.00 0.00 C ATOM 1311 C SER A 85 -10.184 -4.678 -5.449 1.00 0.00 C ATOM 1312 O SER A 85 -10.865 -3.658 -5.562 1.00 0.00 O ATOM 1313 CB SER A 85 -10.591 -6.570 -7.034 1.00 0.00 C ATOM 1314 OG SER A 85 -11.329 -5.804 -7.970 1.00 0.00 O ATOM 0 H SER A 85 -12.683 -5.123 -5.484 1.00 0.00 H new ATOM 0 HA SER A 85 -10.332 -6.741 -4.907 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.530 -6.526 -7.279 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.890 -7.616 -7.099 1.00 0.00 H new ATOM 0 HG SER A 85 -11.170 -6.149 -8.873 1.00 0.00 H new ATOM 1320 N ILE A 86 -8.882 -4.654 -5.184 1.00 0.00 N ATOM 1321 CA ILE A 86 -8.162 -3.399 -5.009 1.00 0.00 C ATOM 1322 C ILE A 86 -8.625 -2.354 -6.019 1.00 0.00 C ATOM 1323 O ILE A 86 -8.905 -1.211 -5.661 1.00 0.00 O ATOM 1324 CB ILE A 86 -6.642 -3.598 -5.153 1.00 0.00 C ATOM 1325 CG1 ILE A 86 -6.135 -4.598 -4.113 1.00 0.00 C ATOM 1326 CG2 ILE A 86 -5.918 -2.267 -5.013 1.00 0.00 C ATOM 1327 CD1 ILE A 86 -4.673 -4.952 -4.276 1.00 0.00 C ATOM 0 H ILE A 86 -8.305 -5.489 -5.086 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.380 -3.048 -4.001 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.436 -3.999 -6.145 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.291 -4.184 -3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.730 -5.509 -4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.844 -2.424 -5.117 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.262 -1.583 -5.789 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.129 -1.840 -4.033 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.383 -5.665 -3.504 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.513 -5.396 -5.259 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.068 -4.050 -4.182 1.00 0.00 H new ATOM 1339 N GLY A 87 -8.704 -2.756 -7.284 1.00 0.00 N ATOM 1340 CA GLY A 87 -9.135 -1.843 -8.326 1.00 0.00 C ATOM 1341 C GLY A 87 -10.345 -1.026 -7.918 1.00 0.00 C ATOM 1342 O GLY A 87 -10.388 0.185 -8.137 1.00 0.00 O ATOM 0 H GLY A 87 -8.477 -3.697 -7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.315 -1.171 -8.578 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.370 -2.410 -9.227 1.00 0.00 H new ATOM 1346 N ASP A 88 -11.332 -1.689 -7.324 1.00 0.00 N ATOM 1347 CA ASP A 88 -12.549 -1.017 -6.885 1.00 0.00 C ATOM 1348 C ASP A 88 -12.257 -0.068 -5.727 1.00 0.00 C ATOM 1349 O ASP A 88 -12.613 1.110 -5.773 1.00 0.00 O ATOM 1350 CB ASP A 88 -13.601 -2.045 -6.466 1.00 0.00 C ATOM 1351 CG ASP A 88 -13.493 -2.420 -5.001 1.00 0.00 C ATOM 1352 OD1 ASP A 88 -13.791 -1.562 -4.144 1.00 0.00 O ATOM 1353 OD2 ASP A 88 -13.110 -3.573 -4.711 1.00 0.00 O ATOM 0 H ASP A 88 -11.313 -2.691 -7.136 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.935 -0.434 -7.721 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.595 -1.644 -6.663 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.492 -2.941 -7.076 1.00 0.00 H new ATOM 1358 N ILE A 89 -11.610 -0.589 -4.690 1.00 0.00 N ATOM 1359 CA ILE A 89 -11.271 0.212 -3.520 1.00 0.00 C ATOM 1360 C ILE A 89 -10.817 1.611 -3.925 1.00 0.00 C ATOM 1361 O ILE A 89 -11.009 2.575 -3.184 1.00 0.00 O ATOM 1362 CB ILE A 89 -10.163 -0.453 -2.683 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -10.612 -1.838 -2.212 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -9.798 0.423 -1.495 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.545 -2.594 -1.452 1.00 0.00 C ATOM 0 H ILE A 89 -11.310 -1.562 -4.636 1.00 0.00 H new ATOM 0 HA ILE A 89 -12.175 0.286 -2.916 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.278 -0.571 -3.308 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -11.491 -1.729 -1.577 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.916 -2.426 -3.078 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -9.013 -0.061 -0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.442 1.389 -1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.677 0.570 -0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -9.934 -3.566 -1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.673 -2.735 -2.091 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.258 -2.027 -0.567 1.00 0.00 H new ATOM 1377 N ILE A 90 -10.215 1.713 -5.105 1.00 0.00 N ATOM 1378 CA ILE A 90 -9.735 2.994 -5.609 1.00 0.00 C ATOM 1379 C ILE A 90 -10.898 3.898 -6.006 1.00 0.00 C ATOM 1380 O ILE A 90 -10.987 5.042 -5.561 1.00 0.00 O ATOM 1381 CB ILE A 90 -8.806 2.809 -6.823 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -7.514 2.106 -6.401 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -8.498 4.153 -7.464 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -6.805 1.409 -7.541 1.00 0.00 C ATOM 0 H ILE A 90 -10.048 0.924 -5.730 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.173 3.461 -4.800 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.314 2.185 -7.559 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.839 2.839 -5.958 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.744 1.375 -5.626 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.840 4.005 -8.321 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.426 4.619 -7.795 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.007 4.799 -6.736 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.898 0.933 -7.169 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.462 0.653 -7.970 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.543 2.139 -8.307 1.00 0.00 H new ATOM 1396 N ASP A 91 -11.786 3.376 -6.844 1.00 0.00 N ATOM 1397 CA ASP A 91 -12.946 4.134 -7.299 1.00 0.00 C ATOM 1398 C ASP A 91 -13.894 4.425 -6.140 1.00 0.00 C ATOM 1399 O ASP A 91 -14.441 5.523 -6.033 1.00 0.00 O ATOM 1400 CB ASP A 91 -13.684 3.368 -8.398 1.00 0.00 C ATOM 1401 CG ASP A 91 -15.023 3.991 -8.738 1.00 0.00 C ATOM 1402 OD1 ASP A 91 -15.138 5.232 -8.657 1.00 0.00 O ATOM 1403 OD2 ASP A 91 -15.957 3.238 -9.085 1.00 0.00 O ATOM 0 H ASP A 91 -11.725 2.431 -7.222 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.593 5.083 -7.703 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -13.064 3.336 -9.294 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -13.837 2.337 -8.079 1.00 0.00 H new ATOM 1408 N HIS A 92 -14.085 3.434 -5.275 1.00 0.00 N ATOM 1409 CA HIS A 92 -14.968 3.584 -4.124 1.00 0.00 C ATOM 1410 C HIS A 92 -14.530 4.757 -3.252 1.00 0.00 C ATOM 1411 O HIS A 92 -15.362 5.465 -2.684 1.00 0.00 O ATOM 1412 CB HIS A 92 -14.984 2.298 -3.297 1.00 0.00 C ATOM 1413 CG HIS A 92 -16.260 2.088 -2.541 1.00 0.00 C ATOM 1414 ND1 HIS A 92 -16.726 2.970 -1.590 1.00 0.00 N ATOM 1415 CD2 HIS A 92 -17.172 1.089 -2.603 1.00 0.00 C ATOM 1416 CE1 HIS A 92 -17.867 2.523 -1.098 1.00 0.00 C ATOM 1417 NE2 HIS A 92 -18.160 1.382 -1.696 1.00 0.00 N ATOM 0 H HIS A 92 -13.640 2.519 -5.349 1.00 0.00 H new ATOM 0 HA HIS A 92 -15.974 3.784 -4.493 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -14.819 1.448 -3.959 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -14.153 2.319 -2.592 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -16.262 3.834 -1.310 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -17.130 0.223 -3.246 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -18.460 3.008 -0.336 1.00 0.00 H new ATOM 1425 N TYR A 93 -13.221 4.957 -3.151 1.00 0.00 N ATOM 1426 CA TYR A 93 -12.673 6.042 -2.347 1.00 0.00 C ATOM 1427 C TYR A 93 -12.686 7.356 -3.123 1.00 0.00 C ATOM 1428 O TYR A 93 -12.933 8.421 -2.558 1.00 0.00 O ATOM 1429 CB TYR A 93 -11.246 5.710 -1.908 1.00 0.00 C ATOM 1430 CG TYR A 93 -11.179 4.850 -0.666 1.00 0.00 C ATOM 1431 CD1 TYR A 93 -11.925 5.165 0.463 1.00 0.00 C ATOM 1432 CD2 TYR A 93 -10.370 3.721 -0.622 1.00 0.00 C ATOM 1433 CE1 TYR A 93 -11.866 4.382 1.599 1.00 0.00 C ATOM 1434 CE2 TYR A 93 -10.306 2.931 0.509 1.00 0.00 C ATOM 1435 CZ TYR A 93 -11.055 3.266 1.618 1.00 0.00 C ATOM 1436 OH TYR A 93 -10.995 2.483 2.748 1.00 0.00 O ATOM 0 H TYR A 93 -12.519 4.381 -3.616 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.300 6.157 -1.463 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.734 5.198 -2.723 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.705 6.639 -1.726 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.562 6.037 0.452 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.781 3.457 -1.488 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.452 4.642 2.468 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.673 2.056 0.525 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.105 2.078 2.819 1.00 0.00 H new ATOM 1446 N ARG A 94 -12.417 7.271 -4.421 1.00 0.00 N ATOM 1447 CA ARG A 94 -12.397 8.451 -5.276 1.00 0.00 C ATOM 1448 C ARG A 94 -13.547 9.392 -4.931 1.00 0.00 C ATOM 1449 O ARG A 94 -13.388 10.613 -4.935 1.00 0.00 O ATOM 1450 CB ARG A 94 -12.482 8.043 -6.748 1.00 0.00 C ATOM 1451 CG ARG A 94 -11.145 7.636 -7.346 1.00 0.00 C ATOM 1452 CD ARG A 94 -11.098 7.906 -8.842 1.00 0.00 C ATOM 1453 NE ARG A 94 -10.599 9.246 -9.141 1.00 0.00 N ATOM 1454 CZ ARG A 94 -10.123 9.605 -10.328 1.00 0.00 C ATOM 1455 NH1 ARG A 94 -10.083 8.728 -11.322 1.00 0.00 N ATOM 1456 NH2 ARG A 94 -9.687 10.842 -10.523 1.00 0.00 N ATOM 0 H ARG A 94 -12.210 6.397 -4.904 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.457 8.976 -5.105 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.182 7.213 -6.846 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.890 8.874 -7.324 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.342 8.183 -6.851 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.970 6.576 -7.161 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -10.460 7.166 -9.324 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -12.097 7.789 -9.263 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.617 9.944 -8.398 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.418 7.776 -11.176 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.717 9.006 -12.233 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.717 11.519 -9.761 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.322 11.116 -11.435 1.00 0.00 H new ATOM 1470 N LYS A 95 -14.707 8.816 -4.634 1.00 0.00 N ATOM 1471 CA LYS A 95 -15.885 9.602 -4.285 1.00 0.00 C ATOM 1472 C LYS A 95 -15.964 9.826 -2.779 1.00 0.00 C ATOM 1473 O LYS A 95 -16.543 10.809 -2.318 1.00 0.00 O ATOM 1474 CB LYS A 95 -17.154 8.900 -4.774 1.00 0.00 C ATOM 1475 CG LYS A 95 -17.277 8.849 -6.287 1.00 0.00 C ATOM 1476 CD LYS A 95 -18.609 8.259 -6.719 1.00 0.00 C ATOM 1477 CE LYS A 95 -18.930 8.607 -8.165 1.00 0.00 C ATOM 1478 NZ LYS A 95 -20.397 8.617 -8.420 1.00 0.00 N ATOM 0 H LYS A 95 -14.857 7.807 -4.628 1.00 0.00 H new ATOM 0 HA LYS A 95 -15.801 10.572 -4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.170 7.883 -4.382 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -18.024 9.413 -4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -17.174 9.854 -6.695 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -16.463 8.253 -6.699 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -18.584 7.176 -6.601 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -19.401 8.632 -6.069 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -18.513 9.585 -8.404 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -18.451 7.886 -8.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -20.575 8.858 -9.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -20.791 7.676 -8.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -20.851 9.323 -7.806 1.00 0.00 H new ATOM 1492 N GLU A 96 -15.376 8.909 -2.017 1.00 0.00 N ATOM 1493 CA GLU A 96 -15.380 9.008 -0.562 1.00 0.00 C ATOM 1494 C GLU A 96 -13.973 9.267 -0.031 1.00 0.00 C ATOM 1495 O GLU A 96 -13.088 8.420 -0.153 1.00 0.00 O ATOM 1496 CB GLU A 96 -15.943 7.728 0.057 1.00 0.00 C ATOM 1497 CG GLU A 96 -17.452 7.601 -0.074 1.00 0.00 C ATOM 1498 CD GLU A 96 -18.195 8.262 1.070 1.00 0.00 C ATOM 1499 OE1 GLU A 96 -18.106 9.501 1.199 1.00 0.00 O ATOM 1500 OE2 GLU A 96 -18.866 7.540 1.837 1.00 0.00 O ATOM 0 H GLU A 96 -14.891 8.090 -2.383 1.00 0.00 H new ATOM 0 HA GLU A 96 -16.016 9.848 -0.282 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.472 6.867 -0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.674 7.696 1.113 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -17.770 8.049 -1.016 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.722 6.546 -0.116 1.00 0.00 H new ATOM 1507 N GLN A 97 -13.775 10.442 0.558 1.00 0.00 N ATOM 1508 CA GLN A 97 -12.476 10.812 1.106 1.00 0.00 C ATOM 1509 C GLN A 97 -11.884 9.668 1.923 1.00 0.00 C ATOM 1510 O GLN A 97 -12.313 9.408 3.047 1.00 0.00 O ATOM 1511 CB GLN A 97 -12.605 12.063 1.977 1.00 0.00 C ATOM 1512 CG GLN A 97 -13.797 12.029 2.919 1.00 0.00 C ATOM 1513 CD GLN A 97 -13.815 13.200 3.882 1.00 0.00 C ATOM 1514 OE1 GLN A 97 -13.855 13.017 5.099 1.00 0.00 O ATOM 1515 NE2 GLN A 97 -13.785 14.412 3.340 1.00 0.00 N ATOM 0 H GLN A 97 -14.497 11.154 0.668 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.805 11.024 0.274 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.693 12.183 2.562 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.687 12.938 1.332 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.717 12.030 2.334 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -13.781 11.098 3.486 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.752 14.516 2.326 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.795 15.238 3.938 1.00 0.00 H new ATOM 1524 N ILE A 98 -10.896 8.989 1.350 1.00 0.00 N ATOM 1525 CA ILE A 98 -10.245 7.873 2.025 1.00 0.00 C ATOM 1526 C ILE A 98 -9.646 8.311 3.357 1.00 0.00 C ATOM 1527 O ILE A 98 -9.530 7.516 4.290 1.00 0.00 O ATOM 1528 CB ILE A 98 -9.134 7.258 1.154 1.00 0.00 C ATOM 1529 CG1 ILE A 98 -8.350 6.214 1.950 1.00 0.00 C ATOM 1530 CG2 ILE A 98 -8.204 8.345 0.635 1.00 0.00 C ATOM 1531 CD1 ILE A 98 -7.437 5.362 1.096 1.00 0.00 C ATOM 0 H ILE A 98 -10.529 9.192 0.420 1.00 0.00 H new ATOM 0 HA ILE A 98 -11.014 7.121 2.204 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.596 6.764 0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.755 6.720 2.710 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -9.052 5.566 2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.424 7.894 0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.773 9.055 0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.747 8.866 1.477 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.913 4.644 1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.028 4.828 0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.711 6.000 0.592 1.00 0.00 H new ATOM 1543 N VAL A 99 -9.269 9.583 3.441 1.00 0.00 N ATOM 1544 CA VAL A 99 -8.684 10.129 4.660 1.00 0.00 C ATOM 1545 C VAL A 99 -9.605 11.165 5.295 1.00 0.00 C ATOM 1546 O VAL A 99 -10.627 11.537 4.718 1.00 0.00 O ATOM 1547 CB VAL A 99 -7.314 10.776 4.385 1.00 0.00 C ATOM 1548 CG1 VAL A 99 -6.453 10.756 5.638 1.00 0.00 C ATOM 1549 CG2 VAL A 99 -6.613 10.069 3.235 1.00 0.00 C ATOM 0 H VAL A 99 -9.358 10.255 2.679 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.551 9.294 5.348 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.473 11.816 4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.489 11.217 5.424 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.953 11.311 6.432 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.299 9.725 5.957 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.646 10.539 3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.464 9.020 3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.225 10.141 2.336 1.00 0.00 H new ATOM 1559 N GLU A 100 -9.236 11.627 6.485 1.00 0.00 N ATOM 1560 CA GLU A 100 -10.029 12.621 7.198 1.00 0.00 C ATOM 1561 C GLU A 100 -10.675 13.602 6.224 1.00 0.00 C ATOM 1562 O GLU A 100 -11.830 13.992 6.393 1.00 0.00 O ATOM 1563 CB GLU A 100 -9.157 13.379 8.200 1.00 0.00 C ATOM 1564 CG GLU A 100 -8.150 14.311 7.548 1.00 0.00 C ATOM 1565 CD GLU A 100 -6.987 14.645 8.461 1.00 0.00 C ATOM 1566 OE1 GLU A 100 -7.119 15.588 9.269 1.00 0.00 O ATOM 1567 OE2 GLU A 100 -5.945 13.963 8.369 1.00 0.00 O ATOM 0 H GLU A 100 -8.393 11.329 6.976 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.819 12.099 7.738 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.800 13.959 8.863 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.624 12.660 8.822 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.770 13.849 6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.652 15.233 7.253 1.00 0.00 H new ATOM 1574 N GLY A 101 -9.920 13.998 5.204 1.00 0.00 N ATOM 1575 CA GLY A 101 -10.434 14.931 4.218 1.00 0.00 C ATOM 1576 C GLY A 101 -9.559 15.009 2.983 1.00 0.00 C ATOM 1577 O GLY A 101 -9.192 16.099 2.542 1.00 0.00 O ATOM 0 H GLY A 101 -8.961 13.689 5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.441 14.630 3.928 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.514 15.921 4.666 1.00 0.00 H new ATOM 1581 N TYR A 102 -9.223 13.852 2.423 1.00 0.00 N ATOM 1582 CA TYR A 102 -8.383 13.794 1.233 1.00 0.00 C ATOM 1583 C TYR A 102 -8.908 12.758 0.245 1.00 0.00 C ATOM 1584 O TYR A 102 -9.207 11.623 0.618 1.00 0.00 O ATOM 1585 CB TYR A 102 -6.940 13.463 1.618 1.00 0.00 C ATOM 1586 CG TYR A 102 -6.188 14.633 2.213 1.00 0.00 C ATOM 1587 CD1 TYR A 102 -6.475 15.090 3.493 1.00 0.00 C ATOM 1588 CD2 TYR A 102 -5.190 15.279 1.494 1.00 0.00 C ATOM 1589 CE1 TYR A 102 -5.791 16.159 4.039 1.00 0.00 C ATOM 1590 CE2 TYR A 102 -4.500 16.348 2.034 1.00 0.00 C ATOM 1591 CZ TYR A 102 -4.804 16.784 3.306 1.00 0.00 C ATOM 1592 OH TYR A 102 -4.120 17.848 3.847 1.00 0.00 O ATOM 0 H TYR A 102 -9.520 12.942 2.774 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.409 14.772 0.753 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -6.943 12.642 2.335 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.408 13.112 0.734 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -7.246 14.602 4.071 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -4.949 14.940 0.497 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -6.028 16.503 5.035 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.727 16.839 1.462 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.167 17.627 3.908 1.00 0.00 H new ATOM 1602 N TYR A 103 -9.016 13.156 -1.018 1.00 0.00 N ATOM 1603 CA TYR A 103 -9.507 12.263 -2.061 1.00 0.00 C ATOM 1604 C TYR A 103 -8.380 11.859 -3.007 1.00 0.00 C ATOM 1605 O TYR A 103 -7.541 12.681 -3.379 1.00 0.00 O ATOM 1606 CB TYR A 103 -10.633 12.935 -2.849 1.00 0.00 C ATOM 1607 CG TYR A 103 -11.832 13.296 -2.002 1.00 0.00 C ATOM 1608 CD1 TYR A 103 -11.892 14.510 -1.329 1.00 0.00 C ATOM 1609 CD2 TYR A 103 -12.905 12.422 -1.874 1.00 0.00 C ATOM 1610 CE1 TYR A 103 -12.986 14.844 -0.554 1.00 0.00 C ATOM 1611 CE2 TYR A 103 -14.003 12.749 -1.102 1.00 0.00 C ATOM 1612 CZ TYR A 103 -14.039 13.960 -0.444 1.00 0.00 C ATOM 1613 OH TYR A 103 -15.131 14.288 0.327 1.00 0.00 O ATOM 0 H TYR A 103 -8.770 14.091 -1.344 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.895 11.364 -1.581 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -10.246 13.839 -3.320 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.952 12.269 -3.651 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -11.069 15.205 -1.413 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -12.880 11.472 -2.386 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -13.016 15.792 -0.037 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -14.829 12.059 -1.014 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.783 13.557 0.298 1.00 0.00 H new ATOM 1623 N LEU A 104 -8.367 10.588 -3.392 1.00 0.00 N ATOM 1624 CA LEU A 104 -7.344 10.073 -4.296 1.00 0.00 C ATOM 1625 C LEU A 104 -7.424 10.758 -5.656 1.00 0.00 C ATOM 1626 O LEU A 104 -8.336 10.499 -6.442 1.00 0.00 O ATOM 1627 CB LEU A 104 -7.499 8.561 -4.464 1.00 0.00 C ATOM 1628 CG LEU A 104 -7.533 7.742 -3.173 1.00 0.00 C ATOM 1629 CD1 LEU A 104 -7.869 6.289 -3.471 1.00 0.00 C ATOM 1630 CD2 LEU A 104 -6.202 7.844 -2.441 1.00 0.00 C ATOM 0 H LEU A 104 -9.053 9.895 -3.093 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.368 10.286 -3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.419 8.369 -5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.676 8.198 -5.079 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.312 8.149 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.889 5.722 -2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.846 6.233 -3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.114 5.870 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.245 7.255 -1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.405 7.464 -3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.002 8.886 -2.193 1.00 0.00 H new ATOM 1642 N LYS A 105 -6.462 11.633 -5.930 1.00 0.00 N ATOM 1643 CA LYS A 105 -6.420 12.354 -7.197 1.00 0.00 C ATOM 1644 C LYS A 105 -5.853 11.473 -8.306 1.00 0.00 C ATOM 1645 O LYS A 105 -6.533 11.183 -9.289 1.00 0.00 O ATOM 1646 CB LYS A 105 -5.577 13.623 -7.057 1.00 0.00 C ATOM 1647 CG LYS A 105 -6.341 14.800 -6.475 1.00 0.00 C ATOM 1648 CD LYS A 105 -5.785 16.125 -6.969 1.00 0.00 C ATOM 1649 CE LYS A 105 -6.708 17.282 -6.618 1.00 0.00 C ATOM 1650 NZ LYS A 105 -6.827 17.469 -5.146 1.00 0.00 N ATOM 0 H LYS A 105 -5.700 11.860 -5.291 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.440 12.631 -7.463 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.717 13.409 -6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.189 13.901 -8.037 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.394 14.722 -6.747 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.290 14.766 -5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.803 16.295 -6.529 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.647 16.083 -8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.330 18.198 -7.071 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.696 17.100 -7.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.437 18.288 -4.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.243 16.616 -4.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.884 17.634 -4.740 1.00 0.00 H new ATOM 1664 N GLU A 106 -4.604 11.050 -8.138 1.00 0.00 N ATOM 1665 CA GLU A 106 -3.947 10.202 -9.126 1.00 0.00 C ATOM 1666 C GLU A 106 -2.888 9.321 -8.468 1.00 0.00 C ATOM 1667 O GLU A 106 -2.155 9.749 -7.577 1.00 0.00 O ATOM 1668 CB GLU A 106 -3.305 11.057 -10.220 1.00 0.00 C ATOM 1669 CG GLU A 106 -4.259 12.062 -10.845 1.00 0.00 C ATOM 1670 CD GLU A 106 -3.759 12.592 -12.174 1.00 0.00 C ATOM 1671 OE1 GLU A 106 -3.356 11.774 -13.027 1.00 0.00 O ATOM 1672 OE2 GLU A 106 -3.772 13.827 -12.362 1.00 0.00 O ATOM 0 H GLU A 106 -4.028 11.280 -7.329 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.704 9.559 -9.575 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.453 11.591 -9.799 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.917 10.402 -11.001 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.232 11.593 -10.988 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -4.405 12.895 -10.157 1.00 0.00 H new ATOM 1679 N PRO A 107 -2.807 8.060 -8.917 1.00 0.00 N ATOM 1680 CA PRO A 107 -1.842 7.091 -8.386 1.00 0.00 C ATOM 1681 C PRO A 107 -0.408 7.428 -8.779 1.00 0.00 C ATOM 1682 O PRO A 107 -0.165 8.367 -9.537 1.00 0.00 O ATOM 1683 CB PRO A 107 -2.276 5.771 -9.027 1.00 0.00 C ATOM 1684 CG PRO A 107 -2.979 6.170 -10.278 1.00 0.00 C ATOM 1685 CD PRO A 107 -3.650 7.481 -9.977 1.00 0.00 C ATOM 0 HA PRO A 107 -1.841 7.071 -7.296 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -1.418 5.134 -9.241 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -2.934 5.207 -8.366 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -2.276 6.272 -11.105 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -3.710 5.416 -10.572 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -3.688 8.124 -10.856 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.677 7.339 -9.641 1.00 0.00 H new ATOM 1693 N VAL A 108 0.540 6.654 -8.260 1.00 0.00 N ATOM 1694 CA VAL A 108 1.951 6.869 -8.558 1.00 0.00 C ATOM 1695 C VAL A 108 2.386 6.058 -9.773 1.00 0.00 C ATOM 1696 O VAL A 108 2.279 4.832 -9.803 1.00 0.00 O ATOM 1697 CB VAL A 108 2.842 6.494 -7.358 1.00 0.00 C ATOM 1698 CG1 VAL A 108 4.308 6.492 -7.762 1.00 0.00 C ATOM 1699 CG2 VAL A 108 2.601 7.447 -6.197 1.00 0.00 C ATOM 0 H VAL A 108 0.356 5.872 -7.631 1.00 0.00 H new ATOM 0 HA VAL A 108 2.071 7.931 -8.772 1.00 0.00 H new ATOM 0 HB VAL A 108 2.579 5.488 -7.032 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.922 6.225 -6.902 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.465 5.765 -8.559 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.590 7.484 -8.115 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.239 7.167 -5.358 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.836 8.465 -6.507 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.556 7.392 -5.892 1.00 0.00 H new ATOM 1709 N PRO A 109 2.889 6.757 -10.802 1.00 0.00 N ATOM 1710 CA PRO A 109 3.351 6.122 -12.039 1.00 0.00 C ATOM 1711 C PRO A 109 4.629 5.316 -11.835 1.00 0.00 C ATOM 1712 O PRO A 109 5.478 5.677 -11.020 1.00 0.00 O ATOM 1713 CB PRO A 109 3.611 7.308 -12.971 1.00 0.00 C ATOM 1714 CG PRO A 109 3.888 8.453 -12.059 1.00 0.00 C ATOM 1715 CD PRO A 109 3.045 8.221 -10.835 1.00 0.00 C ATOM 0 HA PRO A 109 2.624 5.409 -12.427 1.00 0.00 H new ATOM 0 HB2 PRO A 109 4.456 7.115 -13.631 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.749 7.508 -13.607 1.00 0.00 H new ATOM 0 HG2 PRO A 109 4.946 8.499 -11.801 1.00 0.00 H new ATOM 0 HG3 PRO A 109 3.634 9.401 -12.534 1.00 0.00 H new ATOM 0 HD2 PRO A 109 3.533 8.594 -9.934 1.00 0.00 H new ATOM 0 HD3 PRO A 109 2.082 8.726 -10.908 1.00 0.00 H new ATOM 1723 N MET A 110 4.760 4.222 -12.579 1.00 0.00 N ATOM 1724 CA MET A 110 5.936 3.366 -12.480 1.00 0.00 C ATOM 1725 C MET A 110 7.217 4.187 -12.591 1.00 0.00 C ATOM 1726 O MET A 110 7.171 5.412 -12.699 1.00 0.00 O ATOM 1727 CB MET A 110 5.907 2.295 -13.571 1.00 0.00 C ATOM 1728 CG MET A 110 4.503 1.885 -13.984 1.00 0.00 C ATOM 1729 SD MET A 110 3.892 2.824 -15.397 1.00 0.00 S ATOM 1730 CE MET A 110 5.187 2.513 -16.595 1.00 0.00 C ATOM 0 H MET A 110 4.066 3.908 -13.257 1.00 0.00 H new ATOM 0 HA MET A 110 5.920 2.881 -11.504 1.00 0.00 H new ATOM 0 HB2 MET A 110 6.441 2.665 -14.446 1.00 0.00 H new ATOM 0 HB3 MET A 110 6.445 1.415 -13.219 1.00 0.00 H new ATOM 0 HG2 MET A 110 4.496 0.823 -14.228 1.00 0.00 H new ATOM 0 HG3 MET A 110 3.826 2.023 -13.141 1.00 0.00 H new ATOM 0 HE1 MET A 110 4.754 2.466 -17.594 1.00 0.00 H new ATOM 0 HE2 MET A 110 5.921 3.318 -16.555 1.00 0.00 H new ATOM 0 HE3 MET A 110 5.675 1.566 -16.366 1.00 0.00 H new