USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=24 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 60 ASN : amide:sc= -2.8! K(o=-4.6!,f=1.9) USER MOD Set 1.2: A 102 TYR OH : rot 15:sc= -1.78! USER MOD Set 2.1: A 83 TYR OH : rot -140:sc= -0.613 USER MOD Set 2.2: A 92 HIS : no HD1:sc= -0.029 X(o=-0.61,f=-0.97) USER MOD Set 2.3: A 95 LYS NZ :NH3+ -156:sc= 0.0325 (180deg=0) USER MOD Set 3.1: A 78 MET CE :methyl -159:sc= -2 (180deg=-0.737) USER MOD Set 3.2: A 93 TYR OH : rot 154:sc= -0.148 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -2.86! K(o=-2.9!,f=-2.3) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -121:sc= -0.179 (180deg=-0.531) USER MOD Single : A 26 GLN : amide:sc= -0.0537 K(o=-0.054,f=-1.4!) USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.162 K(o=-0.16,f=-1.8) USER MOD Single : A 33 MET CE :methyl -166:sc= -0.486 (180deg=-1.14) USER MOD Single : A 34 THR OG1 : rot -75:sc= 1.14 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 39 CYS SG : rot 180:sc= -0.0347 USER MOD Single : A 40 SER OG : rot 45:sc= 0.173 USER MOD Single : A 46 SER OG : rot -140:sc= -0.856 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 7:sc= 1.18 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -73:sc= 1.35 USER MOD Single : A 62 ASN : amide:sc= -0.266 K(o=-0.27,f=-0.93) USER MOD Single : A 64 GLN : amide:sc= -2.03 K(o=-2,f=-0.81) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -10:sc= -0.106 USER MOD Single : A 73 ASN : amide:sc= -0.0527 X(o=-0.053,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.1) USER MOD Single : A 75 GLN : amide:sc= -0.0347 K(o=-0.035,f=-1.5) USER MOD Single : A 77 MET CE :methyl 164:sc= -0.141 (180deg=-0.747) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.606 K(o=-0.61,f=-2!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -2.14! C(o=-2.1!,f=-1.7!) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.0836 USER MOD Single : A 105 LYS NZ :NH3+ 157:sc= -0.086 (180deg=-0.48) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 185 N LYS A 16 -0.433 -3.262 -12.597 1.00 0.00 N ATOM 186 CA LYS A 16 -1.171 -2.044 -12.908 1.00 0.00 C ATOM 187 C LYS A 16 -0.308 -0.809 -12.671 1.00 0.00 C ATOM 188 O LYS A 16 0.710 -0.874 -11.981 1.00 0.00 O ATOM 189 CB LYS A 16 -2.441 -1.962 -12.058 1.00 0.00 C ATOM 190 CG LYS A 16 -3.428 -3.083 -12.330 1.00 0.00 C ATOM 191 CD LYS A 16 -4.094 -2.924 -13.687 1.00 0.00 C ATOM 192 CE LYS A 16 -5.373 -3.741 -13.780 1.00 0.00 C ATOM 193 NZ LYS A 16 -6.070 -3.534 -15.080 1.00 0.00 N ATOM 0 HA LYS A 16 -1.447 -2.076 -13.962 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.164 -1.981 -11.004 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.930 -1.006 -12.242 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.911 -4.042 -12.288 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.189 -3.096 -11.550 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.320 -1.872 -13.861 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.404 -3.236 -14.471 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.138 -4.798 -13.658 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.040 -3.466 -12.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.937 -4.108 -15.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.317 -2.529 -15.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.443 -3.820 -15.859 1.00 0.00 H new ATOM 207 N ILE A 17 -0.721 0.316 -13.246 1.00 0.00 N ATOM 208 CA ILE A 17 0.014 1.565 -13.095 1.00 0.00 C ATOM 209 C ILE A 17 0.059 2.003 -11.635 1.00 0.00 C ATOM 210 O ILE A 17 1.019 2.637 -11.196 1.00 0.00 O ATOM 211 CB ILE A 17 -0.612 2.692 -13.937 1.00 0.00 C ATOM 212 CG1 ILE A 17 0.208 3.976 -13.802 1.00 0.00 C ATOM 213 CG2 ILE A 17 -2.054 2.932 -13.514 1.00 0.00 C ATOM 214 CD1 ILE A 17 -0.146 5.031 -14.826 1.00 0.00 C ATOM 0 H ILE A 17 -1.561 0.387 -13.821 1.00 0.00 H new ATOM 0 HA ILE A 17 1.028 1.379 -13.448 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.606 2.388 -14.984 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.062 4.387 -12.803 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.266 3.733 -13.894 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.482 3.731 -14.119 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.632 2.019 -13.658 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.082 3.218 -12.462 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.475 5.913 -14.669 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.027 4.638 -15.828 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.196 5.303 -14.720 1.00 0.00 H new ATOM 226 N TRP A 18 -0.983 1.658 -10.887 1.00 0.00 N ATOM 227 CA TRP A 18 -1.061 2.014 -9.475 1.00 0.00 C ATOM 228 C TRP A 18 -0.381 0.959 -8.609 1.00 0.00 C ATOM 229 O TRP A 18 -0.003 1.227 -7.469 1.00 0.00 O ATOM 230 CB TRP A 18 -2.521 2.178 -9.049 1.00 0.00 C ATOM 231 CG TRP A 18 -3.408 1.071 -9.533 1.00 0.00 C ATOM 232 CD1 TRP A 18 -4.250 1.106 -10.608 1.00 0.00 C ATOM 233 CD2 TRP A 18 -3.543 -0.233 -8.958 1.00 0.00 C ATOM 234 NE1 TRP A 18 -4.900 -0.098 -10.735 1.00 0.00 N ATOM 235 CE2 TRP A 18 -4.483 -0.937 -9.736 1.00 0.00 C ATOM 236 CE3 TRP A 18 -2.959 -0.876 -7.863 1.00 0.00 C ATOM 237 CZ2 TRP A 18 -4.851 -2.249 -9.451 1.00 0.00 C ATOM 238 CZ3 TRP A 18 -3.326 -2.178 -7.581 1.00 0.00 C ATOM 239 CH2 TRP A 18 -4.264 -2.853 -8.373 1.00 0.00 C ATOM 0 H TRP A 18 -1.785 1.132 -11.235 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.541 2.962 -9.336 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.572 2.225 -7.961 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -2.898 3.128 -9.427 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.385 1.955 -11.262 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.583 -0.329 -11.457 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.234 -0.364 -7.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.574 -2.772 -10.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.882 -2.684 -6.736 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.529 -3.871 -8.128 1.00 0.00 H new ATOM 250 N PHE A 19 -0.229 -0.242 -9.158 1.00 0.00 N ATOM 251 CA PHE A 19 0.405 -1.338 -8.435 1.00 0.00 C ATOM 252 C PHE A 19 1.925 -1.213 -8.481 1.00 0.00 C ATOM 253 O PHE A 19 2.475 -0.486 -9.310 1.00 0.00 O ATOM 254 CB PHE A 19 -0.025 -2.683 -9.024 1.00 0.00 C ATOM 255 CG PHE A 19 0.587 -3.865 -8.330 1.00 0.00 C ATOM 256 CD1 PHE A 19 0.360 -4.087 -6.981 1.00 0.00 C ATOM 257 CD2 PHE A 19 1.389 -4.755 -9.026 1.00 0.00 C ATOM 258 CE1 PHE A 19 0.923 -5.174 -6.339 1.00 0.00 C ATOM 259 CE2 PHE A 19 1.954 -5.845 -8.389 1.00 0.00 C ATOM 260 CZ PHE A 19 1.719 -6.055 -7.044 1.00 0.00 C ATOM 0 H PHE A 19 -0.536 -0.481 -10.101 1.00 0.00 H new ATOM 0 HA PHE A 19 0.085 -1.286 -7.394 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.111 -2.763 -8.971 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.246 -2.711 -10.079 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.264 -3.403 -6.425 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.575 -4.596 -10.078 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.740 -5.334 -5.287 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.578 -6.531 -8.942 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.157 -6.907 -6.545 1.00 0.00 H new ATOM 270 N HIS A 20 2.599 -1.926 -7.584 1.00 0.00 N ATOM 271 CA HIS A 20 4.056 -1.895 -7.522 1.00 0.00 C ATOM 272 C HIS A 20 4.600 -3.177 -6.898 1.00 0.00 C ATOM 273 O HIS A 20 4.322 -3.481 -5.739 1.00 0.00 O ATOM 274 CB HIS A 20 4.528 -0.683 -6.719 1.00 0.00 C ATOM 275 CG HIS A 20 4.657 0.565 -7.538 1.00 0.00 C ATOM 276 ND1 HIS A 20 5.870 1.072 -7.951 1.00 0.00 N ATOM 277 CD2 HIS A 20 3.714 1.407 -8.022 1.00 0.00 C ATOM 278 CE1 HIS A 20 5.669 2.174 -8.652 1.00 0.00 C ATOM 279 NE2 HIS A 20 4.368 2.398 -8.710 1.00 0.00 N ATOM 0 H HIS A 20 2.160 -2.532 -6.891 1.00 0.00 H new ATOM 0 HA HIS A 20 4.437 -1.817 -8.540 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.827 -0.502 -5.904 1.00 0.00 H new ATOM 0 HB3 HIS A 20 5.492 -0.911 -6.265 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.646 1.316 -7.891 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.437 2.787 -9.101 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.922 3.181 -9.189 1.00 0.00 H new ATOM 287 N GLY A 21 5.377 -3.925 -7.676 1.00 0.00 N ATOM 288 CA GLY A 21 5.947 -5.165 -7.182 1.00 0.00 C ATOM 289 C GLY A 21 7.445 -5.244 -7.403 1.00 0.00 C ATOM 290 O GLY A 21 8.171 -5.816 -6.590 1.00 0.00 O ATOM 0 H GLY A 21 5.622 -3.694 -8.639 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.735 -5.260 -6.117 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.465 -6.006 -7.679 1.00 0.00 H new ATOM 294 N LYS A 22 7.909 -4.669 -8.507 1.00 0.00 N ATOM 295 CA LYS A 22 9.330 -4.676 -8.834 1.00 0.00 C ATOM 296 C LYS A 22 10.130 -3.888 -7.802 1.00 0.00 C ATOM 297 O LYS A 22 11.219 -4.300 -7.402 1.00 0.00 O ATOM 298 CB LYS A 22 9.556 -4.086 -10.228 1.00 0.00 C ATOM 299 CG LYS A 22 9.300 -5.073 -11.355 1.00 0.00 C ATOM 300 CD LYS A 22 10.000 -4.650 -12.636 1.00 0.00 C ATOM 301 CE LYS A 22 9.222 -3.566 -13.365 1.00 0.00 C ATOM 302 NZ LYS A 22 10.099 -2.755 -14.253 1.00 0.00 N ATOM 0 H LYS A 22 7.321 -4.192 -9.191 1.00 0.00 H new ATOM 0 HA LYS A 22 9.675 -5.710 -8.823 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.904 -3.222 -10.358 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.582 -3.725 -10.299 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.648 -6.063 -11.059 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.228 -5.152 -11.534 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.000 -4.286 -12.402 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.120 -5.515 -13.289 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.430 -4.024 -13.957 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.740 -2.914 -12.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.531 -2.027 -14.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.840 -2.297 -13.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.540 -3.373 -14.964 1.00 0.00 H new ATOM 316 N ILE A 23 9.582 -2.756 -7.374 1.00 0.00 N ATOM 317 CA ILE A 23 10.244 -1.913 -6.386 1.00 0.00 C ATOM 318 C ILE A 23 10.166 -2.532 -4.994 1.00 0.00 C ATOM 319 O ILE A 23 9.662 -3.642 -4.825 1.00 0.00 O ATOM 320 CB ILE A 23 9.626 -0.503 -6.344 1.00 0.00 C ATOM 321 CG1 ILE A 23 8.209 -0.560 -5.771 1.00 0.00 C ATOM 322 CG2 ILE A 23 9.616 0.112 -7.735 1.00 0.00 C ATOM 323 CD1 ILE A 23 7.695 0.780 -5.294 1.00 0.00 C ATOM 0 H ILE A 23 8.681 -2.401 -7.696 1.00 0.00 H new ATOM 0 HA ILE A 23 11.288 -1.834 -6.688 1.00 0.00 H new ATOM 0 HB ILE A 23 10.235 0.125 -5.694 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.533 -0.949 -6.533 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.190 -1.264 -4.939 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.176 1.108 -7.689 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.637 0.183 -8.109 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.027 -0.514 -8.405 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.685 0.663 -4.901 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.348 1.162 -4.509 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.681 1.482 -6.128 1.00 0.00 H new ATOM 335 N SER A 24 10.667 -1.805 -4.001 1.00 0.00 N ATOM 336 CA SER A 24 10.655 -2.283 -2.623 1.00 0.00 C ATOM 337 C SER A 24 10.030 -1.247 -1.694 1.00 0.00 C ATOM 338 O SER A 24 9.869 -0.083 -2.060 1.00 0.00 O ATOM 339 CB SER A 24 12.078 -2.606 -2.161 1.00 0.00 C ATOM 340 OG SER A 24 12.066 -3.461 -1.031 1.00 0.00 O ATOM 0 H SER A 24 11.086 -0.883 -4.124 1.00 0.00 H new ATOM 0 HA SER A 24 10.053 -3.191 -2.584 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.629 -3.080 -2.974 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.603 -1.682 -1.916 1.00 0.00 H new ATOM 0 HG SER A 24 12.987 -3.654 -0.757 1.00 0.00 H new ATOM 346 N LYS A 25 9.677 -1.680 -0.488 1.00 0.00 N ATOM 347 CA LYS A 25 9.070 -0.792 0.497 1.00 0.00 C ATOM 348 C LYS A 25 9.905 0.471 0.678 1.00 0.00 C ATOM 349 O LYS A 25 9.365 1.574 0.767 1.00 0.00 O ATOM 350 CB LYS A 25 8.918 -1.513 1.838 1.00 0.00 C ATOM 351 CG LYS A 25 8.455 -0.607 2.966 1.00 0.00 C ATOM 352 CD LYS A 25 7.897 -1.408 4.131 1.00 0.00 C ATOM 353 CE LYS A 25 7.842 -0.576 5.403 1.00 0.00 C ATOM 354 NZ LYS A 25 9.202 -0.190 5.872 1.00 0.00 N ATOM 0 H LYS A 25 9.801 -2.641 -0.169 1.00 0.00 H new ATOM 0 HA LYS A 25 8.084 -0.505 0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.205 -2.330 1.723 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.874 -1.960 2.111 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.290 0.003 3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.692 0.077 2.595 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.897 -1.763 3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.516 -2.289 4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.251 0.322 5.224 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.335 -1.141 6.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.355 -0.557 6.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.917 -0.590 5.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.285 0.847 5.880 1.00 0.00 H new ATOM 368 N GLN A 26 11.222 0.303 0.730 1.00 0.00 N ATOM 369 CA GLN A 26 12.130 1.431 0.900 1.00 0.00 C ATOM 370 C GLN A 26 12.030 2.393 -0.279 1.00 0.00 C ATOM 371 O GLN A 26 11.953 3.607 -0.095 1.00 0.00 O ATOM 372 CB GLN A 26 13.570 0.936 1.049 1.00 0.00 C ATOM 373 CG GLN A 26 14.585 2.056 1.205 1.00 0.00 C ATOM 374 CD GLN A 26 14.680 2.563 2.631 1.00 0.00 C ATOM 375 OE1 GLN A 26 14.456 1.816 3.584 1.00 0.00 O ATOM 376 NE2 GLN A 26 15.013 3.839 2.785 1.00 0.00 N ATOM 0 H GLN A 26 11.684 -0.603 0.657 1.00 0.00 H new ATOM 0 HA GLN A 26 11.841 1.964 1.806 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.631 0.278 1.916 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.832 0.338 0.176 1.00 0.00 H new ATOM 0 HG2 GLN A 26 15.564 1.701 0.884 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.313 2.882 0.547 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.190 4.422 1.967 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.092 4.236 3.721 1.00 0.00 H new ATOM 385 N GLU A 27 12.031 1.841 -1.488 1.00 0.00 N ATOM 386 CA GLU A 27 11.941 2.652 -2.697 1.00 0.00 C ATOM 387 C GLU A 27 10.630 3.431 -2.733 1.00 0.00 C ATOM 388 O GLU A 27 10.614 4.628 -3.015 1.00 0.00 O ATOM 389 CB GLU A 27 12.057 1.768 -3.940 1.00 0.00 C ATOM 390 CG GLU A 27 13.430 1.142 -4.117 1.00 0.00 C ATOM 391 CD GLU A 27 13.741 0.815 -5.564 1.00 0.00 C ATOM 392 OE1 GLU A 27 13.701 1.740 -6.402 1.00 0.00 O ATOM 393 OE2 GLU A 27 14.025 -0.364 -5.859 1.00 0.00 O ATOM 0 H GLU A 27 12.093 0.837 -1.657 1.00 0.00 H new ATOM 0 HA GLU A 27 12.766 3.364 -2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.311 0.976 -3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.822 2.364 -4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.188 1.824 -3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.489 0.231 -3.522 1.00 0.00 H new ATOM 400 N ALA A 28 9.530 2.741 -2.447 1.00 0.00 N ATOM 401 CA ALA A 28 8.214 3.367 -2.445 1.00 0.00 C ATOM 402 C ALA A 28 8.216 4.647 -1.617 1.00 0.00 C ATOM 403 O ALA A 28 7.608 5.647 -2.000 1.00 0.00 O ATOM 404 CB ALA A 28 7.169 2.396 -1.916 1.00 0.00 C ATOM 0 H ALA A 28 9.525 1.748 -2.214 1.00 0.00 H new ATOM 0 HA ALA A 28 7.963 3.631 -3.472 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.191 2.877 -1.920 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.141 1.510 -2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.426 2.104 -0.898 1.00 0.00 H new ATOM 410 N TYR A 29 8.903 4.610 -0.480 1.00 0.00 N ATOM 411 CA TYR A 29 8.981 5.767 0.404 1.00 0.00 C ATOM 412 C TYR A 29 9.504 6.990 -0.344 1.00 0.00 C ATOM 413 O TYR A 29 8.914 8.067 -0.283 1.00 0.00 O ATOM 414 CB TYR A 29 9.885 5.462 1.599 1.00 0.00 C ATOM 415 CG TYR A 29 9.152 4.854 2.773 1.00 0.00 C ATOM 416 CD1 TYR A 29 8.306 5.624 3.563 1.00 0.00 C ATOM 417 CD2 TYR A 29 9.305 3.511 3.094 1.00 0.00 C ATOM 418 CE1 TYR A 29 7.635 5.074 4.637 1.00 0.00 C ATOM 419 CE2 TYR A 29 8.636 2.952 4.166 1.00 0.00 C ATOM 420 CZ TYR A 29 7.802 3.737 4.934 1.00 0.00 C ATOM 421 OH TYR A 29 7.136 3.184 6.004 1.00 0.00 O ATOM 0 H TYR A 29 9.414 3.791 -0.149 1.00 0.00 H new ATOM 0 HA TYR A 29 7.976 5.986 0.764 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.675 4.781 1.282 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.370 6.383 1.922 1.00 0.00 H new ATOM 0 HD1 TYR A 29 8.171 6.671 3.333 1.00 0.00 H new ATOM 0 HD2 TYR A 29 9.958 2.893 2.495 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.983 5.687 5.241 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.766 1.906 4.401 1.00 0.00 H new ATOM 0 HH TYR A 29 6.289 3.657 6.142 1.00 0.00 H new ATOM 431 N ASN A 30 10.615 6.812 -1.052 1.00 0.00 N ATOM 432 CA ASN A 30 11.218 7.900 -1.813 1.00 0.00 C ATOM 433 C ASN A 30 10.378 8.237 -3.040 1.00 0.00 C ATOM 434 O ASN A 30 10.193 9.407 -3.378 1.00 0.00 O ATOM 435 CB ASN A 30 12.638 7.524 -2.241 1.00 0.00 C ATOM 436 CG ASN A 30 13.358 8.670 -2.925 1.00 0.00 C ATOM 437 OD1 ASN A 30 13.023 9.837 -2.724 1.00 0.00 O ATOM 438 ND2 ASN A 30 14.353 8.341 -3.740 1.00 0.00 N ATOM 0 H ASN A 30 11.115 5.925 -1.114 1.00 0.00 H new ATOM 0 HA ASN A 30 11.259 8.780 -1.171 1.00 0.00 H new ATOM 0 HB2 ASN A 30 13.208 7.211 -1.366 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.597 6.670 -2.916 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.874 9.069 -4.229 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.597 7.360 -3.877 1.00 0.00 H new ATOM 445 N LEU A 31 9.870 7.205 -3.704 1.00 0.00 N ATOM 446 CA LEU A 31 9.048 7.390 -4.895 1.00 0.00 C ATOM 447 C LEU A 31 7.860 8.301 -4.600 1.00 0.00 C ATOM 448 O LEU A 31 7.605 9.262 -5.327 1.00 0.00 O ATOM 449 CB LEU A 31 8.552 6.039 -5.412 1.00 0.00 C ATOM 450 CG LEU A 31 9.558 5.220 -6.221 1.00 0.00 C ATOM 451 CD1 LEU A 31 9.209 3.741 -6.167 1.00 0.00 C ATOM 452 CD2 LEU A 31 9.606 5.706 -7.662 1.00 0.00 C ATOM 0 H LEU A 31 10.013 6.231 -3.438 1.00 0.00 H new ATOM 0 HA LEU A 31 9.663 7.861 -5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.230 5.442 -4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.672 6.210 -6.031 1.00 0.00 H new ATOM 0 HG LEU A 31 10.545 5.356 -5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.936 3.174 -6.748 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.227 3.400 -5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.213 3.587 -6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.327 5.112 -8.223 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.620 5.601 -8.114 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.905 6.754 -7.683 1.00 0.00 H new ATOM 464 N LEU A 32 7.138 7.995 -3.527 1.00 0.00 N ATOM 465 CA LEU A 32 5.979 8.787 -3.134 1.00 0.00 C ATOM 466 C LEU A 32 6.400 10.182 -2.682 1.00 0.00 C ATOM 467 O LEU A 32 5.580 11.098 -2.618 1.00 0.00 O ATOM 468 CB LEU A 32 5.213 8.085 -2.011 1.00 0.00 C ATOM 469 CG LEU A 32 4.115 7.117 -2.451 1.00 0.00 C ATOM 470 CD1 LEU A 32 3.906 6.034 -1.404 1.00 0.00 C ATOM 471 CD2 LEU A 32 2.816 7.866 -2.712 1.00 0.00 C ATOM 0 H LEU A 32 7.335 7.204 -2.914 1.00 0.00 H new ATOM 0 HA LEU A 32 5.328 8.887 -4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.928 7.537 -1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.764 8.847 -1.373 1.00 0.00 H new ATOM 0 HG LEU A 32 4.429 6.640 -3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.121 5.355 -1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.833 5.477 -1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.614 6.493 -0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.046 7.161 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.498 8.371 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.973 8.604 -3.499 1.00 0.00 H new ATOM 483 N MET A 33 7.683 10.336 -2.373 1.00 0.00 N ATOM 484 CA MET A 33 8.214 11.620 -1.931 1.00 0.00 C ATOM 485 C MET A 33 8.820 12.389 -3.100 1.00 0.00 C ATOM 486 O MET A 33 9.030 13.600 -3.019 1.00 0.00 O ATOM 487 CB MET A 33 9.266 11.413 -0.840 1.00 0.00 C ATOM 488 CG MET A 33 8.677 11.037 0.510 1.00 0.00 C ATOM 489 SD MET A 33 7.452 12.227 1.088 1.00 0.00 S ATOM 490 CE MET A 33 8.264 13.772 0.687 1.00 0.00 C ATOM 0 H MET A 33 8.374 9.588 -2.421 1.00 0.00 H new ATOM 0 HA MET A 33 7.390 12.205 -1.523 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.956 10.631 -1.156 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.849 12.328 -0.731 1.00 0.00 H new ATOM 0 HG2 MET A 33 8.216 10.052 0.439 1.00 0.00 H new ATOM 0 HG3 MET A 33 9.479 10.962 1.244 1.00 0.00 H new ATOM 0 HE1 MET A 33 7.759 14.592 1.198 1.00 0.00 H new ATOM 0 HE2 MET A 33 9.305 13.730 1.008 1.00 0.00 H new ATOM 0 HE3 MET A 33 8.223 13.936 -0.390 1.00 0.00 H new ATOM 500 N THR A 34 9.102 11.679 -4.188 1.00 0.00 N ATOM 501 CA THR A 34 9.686 12.294 -5.373 1.00 0.00 C ATOM 502 C THR A 34 8.675 12.363 -6.512 1.00 0.00 C ATOM 503 O THR A 34 8.349 13.444 -7.002 1.00 0.00 O ATOM 504 CB THR A 34 10.929 11.522 -5.852 1.00 0.00 C ATOM 505 OG1 THR A 34 10.693 10.112 -5.769 1.00 0.00 O ATOM 506 CG2 THR A 34 12.148 11.887 -5.016 1.00 0.00 C ATOM 0 H THR A 34 8.935 10.676 -4.273 1.00 0.00 H new ATOM 0 HA THR A 34 9.981 13.305 -5.091 1.00 0.00 H new ATOM 0 HB THR A 34 11.123 11.797 -6.889 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.742 9.827 -4.833 1.00 0.00 H new ATOM 0 HG21 THR A 34 13.014 11.329 -5.373 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.343 12.956 -5.104 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.961 11.638 -3.972 1.00 0.00 H new ATOM 514 N VAL A 35 8.180 11.202 -6.928 1.00 0.00 N ATOM 515 CA VAL A 35 7.203 11.130 -8.009 1.00 0.00 C ATOM 516 C VAL A 35 5.784 11.301 -7.479 1.00 0.00 C ATOM 517 O VAL A 35 4.906 11.807 -8.177 1.00 0.00 O ATOM 518 CB VAL A 35 7.300 9.792 -8.765 1.00 0.00 C ATOM 519 CG1 VAL A 35 8.655 9.658 -9.443 1.00 0.00 C ATOM 520 CG2 VAL A 35 7.051 8.627 -7.819 1.00 0.00 C ATOM 0 H VAL A 35 8.439 10.298 -6.533 1.00 0.00 H new ATOM 0 HA VAL A 35 7.431 11.944 -8.697 1.00 0.00 H new ATOM 0 HB VAL A 35 6.531 9.775 -9.537 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.705 8.706 -9.972 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.789 10.475 -10.152 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.443 9.697 -8.691 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.123 7.689 -8.370 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.796 8.639 -7.023 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.055 8.717 -7.385 1.00 0.00 H new ATOM 530 N GLY A 36 5.565 10.875 -6.239 1.00 0.00 N ATOM 531 CA GLY A 36 4.250 10.989 -5.636 1.00 0.00 C ATOM 532 C GLY A 36 4.019 12.347 -5.003 1.00 0.00 C ATOM 533 O GLY A 36 4.969 13.040 -4.641 1.00 0.00 O ATOM 0 H GLY A 36 6.275 10.453 -5.641 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.489 10.811 -6.395 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.132 10.214 -4.879 1.00 0.00 H new ATOM 537 N GLN A 37 2.753 12.729 -4.872 1.00 0.00 N ATOM 538 CA GLN A 37 2.400 14.015 -4.282 1.00 0.00 C ATOM 539 C GLN A 37 1.310 13.850 -3.229 1.00 0.00 C ATOM 540 O GLN A 37 0.909 12.731 -2.905 1.00 0.00 O ATOM 541 CB GLN A 37 1.935 14.988 -5.367 1.00 0.00 C ATOM 542 CG GLN A 37 3.068 15.774 -6.006 1.00 0.00 C ATOM 543 CD GLN A 37 2.613 16.587 -7.202 1.00 0.00 C ATOM 544 OE1 GLN A 37 1.474 17.054 -7.253 1.00 0.00 O ATOM 545 NE2 GLN A 37 3.501 16.760 -8.173 1.00 0.00 N ATOM 0 H GLN A 37 1.955 12.167 -5.166 1.00 0.00 H new ATOM 0 HA GLN A 37 3.289 14.420 -3.798 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.409 14.431 -6.142 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.219 15.686 -4.934 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.506 16.441 -5.264 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.853 15.085 -6.318 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.434 16.355 -8.089 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.251 17.298 -9.003 1.00 0.00 H new ATOM 554 N VAL A 38 0.833 14.970 -2.696 1.00 0.00 N ATOM 555 CA VAL A 38 -0.212 14.950 -1.680 1.00 0.00 C ATOM 556 C VAL A 38 -1.505 14.361 -2.233 1.00 0.00 C ATOM 557 O VAL A 38 -2.489 14.210 -1.508 1.00 0.00 O ATOM 558 CB VAL A 38 -0.495 16.364 -1.137 1.00 0.00 C ATOM 559 CG1 VAL A 38 -0.651 17.354 -2.281 1.00 0.00 C ATOM 560 CG2 VAL A 38 -1.734 16.357 -0.255 1.00 0.00 C ATOM 0 H VAL A 38 1.154 15.904 -2.951 1.00 0.00 H new ATOM 0 HA VAL A 38 0.150 14.323 -0.866 1.00 0.00 H new ATOM 0 HB VAL A 38 0.354 16.678 -0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.850 18.347 -1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.267 17.378 -2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.481 17.047 -2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.919 17.364 0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.593 16.023 -0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.579 15.680 0.585 1.00 0.00 H new ATOM 570 N CYS A 39 -1.495 14.031 -3.519 1.00 0.00 N ATOM 571 CA CYS A 39 -2.668 13.459 -4.170 1.00 0.00 C ATOM 572 C CYS A 39 -2.280 12.269 -5.042 1.00 0.00 C ATOM 573 O CYS A 39 -2.719 12.156 -6.186 1.00 0.00 O ATOM 574 CB CYS A 39 -3.375 14.518 -5.017 1.00 0.00 C ATOM 575 SG CYS A 39 -3.954 15.950 -4.076 1.00 0.00 S ATOM 0 H CYS A 39 -0.688 14.149 -4.132 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.350 13.111 -3.394 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.693 14.860 -5.796 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.226 14.058 -5.519 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.536 16.790 -4.879 1.00 0.00 H new ATOM 581 N SER A 40 -1.452 11.386 -4.494 1.00 0.00 N ATOM 582 CA SER A 40 -0.999 10.207 -5.224 1.00 0.00 C ATOM 583 C SER A 40 -0.752 9.040 -4.272 1.00 0.00 C ATOM 584 O SER A 40 -0.227 9.221 -3.173 1.00 0.00 O ATOM 585 CB SER A 40 0.279 10.523 -6.003 1.00 0.00 C ATOM 586 OG SER A 40 0.465 9.609 -7.069 1.00 0.00 O ATOM 0 H SER A 40 -1.081 11.464 -3.547 1.00 0.00 H new ATOM 0 HA SER A 40 -1.783 9.922 -5.926 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.228 11.539 -6.395 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.137 10.483 -5.332 1.00 0.00 H new ATOM 0 HG SER A 40 -0.384 9.481 -7.542 1.00 0.00 H new ATOM 592 N PHE A 41 -1.135 7.843 -4.702 1.00 0.00 N ATOM 593 CA PHE A 41 -0.957 6.645 -3.889 1.00 0.00 C ATOM 594 C PHE A 41 -0.463 5.479 -4.740 1.00 0.00 C ATOM 595 O PHE A 41 -0.282 5.612 -5.951 1.00 0.00 O ATOM 596 CB PHE A 41 -2.272 6.270 -3.202 1.00 0.00 C ATOM 597 CG PHE A 41 -3.194 5.464 -4.071 1.00 0.00 C ATOM 598 CD1 PHE A 41 -3.986 6.083 -5.024 1.00 0.00 C ATOM 599 CD2 PHE A 41 -3.267 4.087 -3.936 1.00 0.00 C ATOM 600 CE1 PHE A 41 -4.836 5.344 -5.825 1.00 0.00 C ATOM 601 CE2 PHE A 41 -4.115 3.342 -4.735 1.00 0.00 C ATOM 602 CZ PHE A 41 -4.900 3.971 -5.681 1.00 0.00 C ATOM 0 H PHE A 41 -1.571 7.676 -5.609 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.206 6.860 -3.128 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.051 5.704 -2.297 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.783 7.181 -2.891 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.939 7.155 -5.143 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.655 3.590 -3.198 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.450 5.839 -6.563 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.163 2.269 -4.619 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.562 3.391 -6.307 1.00 0.00 H new ATOM 612 N LEU A 42 -0.247 4.336 -4.098 1.00 0.00 N ATOM 613 CA LEU A 42 0.226 3.145 -4.794 1.00 0.00 C ATOM 614 C LEU A 42 0.005 1.896 -3.948 1.00 0.00 C ATOM 615 O LEU A 42 -0.084 1.971 -2.722 1.00 0.00 O ATOM 616 CB LEU A 42 1.711 3.287 -5.136 1.00 0.00 C ATOM 617 CG LEU A 42 2.686 3.142 -3.967 1.00 0.00 C ATOM 618 CD1 LEU A 42 3.097 1.688 -3.792 1.00 0.00 C ATOM 619 CD2 LEU A 42 3.908 4.022 -4.180 1.00 0.00 C ATOM 0 H LEU A 42 -0.392 4.209 -3.096 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.345 3.042 -5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.963 2.539 -5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.866 4.264 -5.593 1.00 0.00 H new ATOM 0 HG LEU A 42 2.183 3.468 -3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.791 1.604 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.213 1.082 -3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.582 1.335 -4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.591 3.906 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.413 3.727 -5.100 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.597 5.064 -4.254 1.00 0.00 H new ATOM 631 N VAL A 43 -0.082 0.746 -4.610 1.00 0.00 N ATOM 632 CA VAL A 43 -0.290 -0.521 -3.919 1.00 0.00 C ATOM 633 C VAL A 43 0.965 -1.384 -3.965 1.00 0.00 C ATOM 634 O VAL A 43 1.677 -1.410 -4.969 1.00 0.00 O ATOM 635 CB VAL A 43 -1.464 -1.308 -4.532 1.00 0.00 C ATOM 636 CG1 VAL A 43 -1.647 -2.637 -3.815 1.00 0.00 C ATOM 637 CG2 VAL A 43 -2.742 -0.484 -4.480 1.00 0.00 C ATOM 0 H VAL A 43 -0.012 0.666 -5.624 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.525 -0.282 -2.882 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.235 -1.515 -5.577 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.481 -3.179 -4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.737 -3.229 -3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.855 -2.456 -2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.561 -1.055 -4.917 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.979 -0.245 -3.443 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.603 0.439 -5.042 1.00 0.00 H new ATOM 647 N ARG A 44 1.232 -2.089 -2.871 1.00 0.00 N ATOM 648 CA ARG A 44 2.402 -2.954 -2.785 1.00 0.00 C ATOM 649 C ARG A 44 2.167 -4.091 -1.795 1.00 0.00 C ATOM 650 O ARG A 44 1.366 -3.983 -0.867 1.00 0.00 O ATOM 651 CB ARG A 44 3.631 -2.145 -2.366 1.00 0.00 C ATOM 652 CG ARG A 44 3.422 -1.331 -1.100 1.00 0.00 C ATOM 653 CD ARG A 44 4.710 -0.660 -0.649 1.00 0.00 C ATOM 654 NE ARG A 44 5.767 -1.631 -0.381 1.00 0.00 N ATOM 655 CZ ARG A 44 6.572 -2.119 -1.318 1.00 0.00 C ATOM 656 NH1 ARG A 44 6.441 -1.729 -2.578 1.00 0.00 N ATOM 657 NH2 ARG A 44 7.511 -3.000 -0.995 1.00 0.00 N ATOM 0 H ARG A 44 0.653 -2.078 -2.031 1.00 0.00 H new ATOM 0 HA ARG A 44 2.577 -3.384 -3.771 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.469 -2.825 -2.216 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.907 -1.473 -3.178 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.658 -0.573 -1.275 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.051 -1.980 -0.306 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.044 0.037 -1.418 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.518 -0.075 0.250 1.00 0.00 H new ATOM 0 HE ARG A 44 5.894 -1.952 0.579 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.721 -1.052 -2.830 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.061 -2.105 -3.295 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.615 -3.303 -0.027 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.129 -3.374 -1.715 1.00 0.00 H new ATOM 671 N PRO A 45 2.881 -5.209 -1.997 1.00 0.00 N ATOM 672 CA PRO A 45 2.768 -6.387 -1.132 1.00 0.00 C ATOM 673 C PRO A 45 3.353 -6.147 0.255 1.00 0.00 C ATOM 674 O PRO A 45 4.354 -5.446 0.405 1.00 0.00 O ATOM 675 CB PRO A 45 3.578 -7.452 -1.876 1.00 0.00 C ATOM 676 CG PRO A 45 4.554 -6.681 -2.696 1.00 0.00 C ATOM 677 CD PRO A 45 3.855 -5.408 -3.084 1.00 0.00 C ATOM 0 HA PRO A 45 1.729 -6.666 -0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.086 -8.121 -1.181 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.936 -8.071 -2.503 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.460 -6.471 -2.128 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.854 -7.246 -3.579 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.552 -4.573 -3.157 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.363 -5.499 -4.053 1.00 0.00 H new ATOM 685 N SER A 46 2.721 -6.732 1.268 1.00 0.00 N ATOM 686 CA SER A 46 3.177 -6.578 2.645 1.00 0.00 C ATOM 687 C SER A 46 4.674 -6.855 2.755 1.00 0.00 C ATOM 688 O SER A 46 5.309 -7.286 1.793 1.00 0.00 O ATOM 689 CB SER A 46 2.404 -7.520 3.569 1.00 0.00 C ATOM 690 OG SER A 46 1.204 -6.918 4.023 1.00 0.00 O ATOM 0 H SER A 46 1.892 -7.317 1.161 1.00 0.00 H new ATOM 0 HA SER A 46 2.991 -5.548 2.950 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.173 -8.445 3.040 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.026 -7.788 4.423 1.00 0.00 H new ATOM 0 HG SER A 46 1.063 -7.141 4.967 1.00 0.00 H new ATOM 757 N ASP A 52 -0.485 -10.827 2.220 1.00 0.00 N ATOM 758 CA ASP A 52 -1.034 -9.570 2.715 1.00 0.00 C ATOM 759 C ASP A 52 -0.729 -8.427 1.751 1.00 0.00 C ATOM 760 O ASP A 52 -0.058 -8.620 0.737 1.00 0.00 O ATOM 761 CB ASP A 52 -0.466 -9.252 4.099 1.00 0.00 C ATOM 762 CG ASP A 52 -0.961 -10.212 5.162 1.00 0.00 C ATOM 763 OD1 ASP A 52 -0.400 -11.323 5.266 1.00 0.00 O ATOM 764 OD2 ASP A 52 -1.911 -9.854 5.891 1.00 0.00 O ATOM 0 HA ASP A 52 -2.116 -9.678 2.791 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.623 -9.289 4.059 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.741 -8.234 4.376 1.00 0.00 H new ATOM 769 N TYR A 53 -1.226 -7.239 2.075 1.00 0.00 N ATOM 770 CA TYR A 53 -1.010 -6.066 1.236 1.00 0.00 C ATOM 771 C TYR A 53 -1.202 -4.781 2.036 1.00 0.00 C ATOM 772 O TYR A 53 -1.635 -4.813 3.188 1.00 0.00 O ATOM 773 CB TYR A 53 -1.966 -6.084 0.042 1.00 0.00 C ATOM 774 CG TYR A 53 -1.534 -7.017 -1.066 1.00 0.00 C ATOM 775 CD1 TYR A 53 -0.689 -6.581 -2.079 1.00 0.00 C ATOM 776 CD2 TYR A 53 -1.971 -8.336 -1.100 1.00 0.00 C ATOM 777 CE1 TYR A 53 -0.292 -7.430 -3.094 1.00 0.00 C ATOM 778 CE2 TYR A 53 -1.578 -9.193 -2.110 1.00 0.00 C ATOM 779 CZ TYR A 53 -0.738 -8.735 -3.105 1.00 0.00 C ATOM 780 OH TYR A 53 -0.346 -9.585 -4.113 1.00 0.00 O ATOM 0 H TYR A 53 -1.781 -7.062 2.912 1.00 0.00 H new ATOM 0 HA TYR A 53 0.017 -6.096 0.872 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.958 -6.377 0.386 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.053 -5.074 -0.358 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.336 -5.560 -2.073 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.629 -8.697 -0.324 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.364 -7.074 -3.875 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.926 -10.215 -2.121 1.00 0.00 H new ATOM 0 HH TYR A 53 -0.748 -10.468 -3.971 1.00 0.00 H new ATOM 790 N SER A 54 -0.876 -3.652 1.416 1.00 0.00 N ATOM 791 CA SER A 54 -1.009 -2.355 2.070 1.00 0.00 C ATOM 792 C SER A 54 -0.925 -1.222 1.052 1.00 0.00 C ATOM 793 O SER A 54 -0.143 -1.281 0.103 1.00 0.00 O ATOM 794 CB SER A 54 0.078 -2.183 3.133 1.00 0.00 C ATOM 795 OG SER A 54 -0.211 -2.952 4.288 1.00 0.00 O ATOM 0 H SER A 54 -0.518 -3.609 0.462 1.00 0.00 H new ATOM 0 HA SER A 54 -1.987 -2.316 2.550 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.042 -2.484 2.724 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.162 -1.131 3.405 1.00 0.00 H new ATOM 0 HG SER A 54 -0.995 -3.515 4.119 1.00 0.00 H new ATOM 801 N LEU A 55 -1.737 -0.190 1.257 1.00 0.00 N ATOM 802 CA LEU A 55 -1.756 0.958 0.358 1.00 0.00 C ATOM 803 C LEU A 55 -0.892 2.091 0.903 1.00 0.00 C ATOM 804 O LEU A 55 -0.721 2.227 2.115 1.00 0.00 O ATOM 805 CB LEU A 55 -3.191 1.448 0.155 1.00 0.00 C ATOM 806 CG LEU A 55 -3.412 2.412 -1.012 1.00 0.00 C ATOM 807 CD1 LEU A 55 -4.841 2.312 -1.523 1.00 0.00 C ATOM 808 CD2 LEU A 55 -3.092 3.839 -0.592 1.00 0.00 C ATOM 0 H LEU A 55 -2.390 -0.125 2.038 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.347 0.643 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.833 0.579 0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.520 1.937 1.072 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.738 2.133 -1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.980 3.005 -2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.036 1.295 -1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.533 2.565 -0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.255 4.511 -1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.741 4.129 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.051 3.900 -0.275 1.00 0.00 H new ATOM 820 N TYR A 56 -0.352 2.903 0.001 1.00 0.00 N ATOM 821 CA TYR A 56 0.495 4.024 0.391 1.00 0.00 C ATOM 822 C TYR A 56 0.029 5.316 -0.274 1.00 0.00 C ATOM 823 O TYR A 56 -0.007 5.419 -1.500 1.00 0.00 O ATOM 824 CB TYR A 56 1.952 3.743 0.020 1.00 0.00 C ATOM 825 CG TYR A 56 2.612 2.706 0.900 1.00 0.00 C ATOM 826 CD1 TYR A 56 2.109 1.414 0.981 1.00 0.00 C ATOM 827 CD2 TYR A 56 3.738 3.020 1.652 1.00 0.00 C ATOM 828 CE1 TYR A 56 2.709 0.463 1.785 1.00 0.00 C ATOM 829 CE2 TYR A 56 4.345 2.075 2.457 1.00 0.00 C ATOM 830 CZ TYR A 56 3.826 0.798 2.520 1.00 0.00 C ATOM 831 OH TYR A 56 4.427 -0.145 3.322 1.00 0.00 O ATOM 0 H TYR A 56 -0.486 2.806 -1.006 1.00 0.00 H new ATOM 0 HA TYR A 56 0.419 4.145 1.472 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.996 3.409 -1.017 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.519 4.672 0.080 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.234 1.148 0.406 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.145 4.019 1.606 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.305 -0.537 1.837 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.221 2.334 3.034 1.00 0.00 H new ATOM 0 HH TYR A 56 5.202 0.253 3.771 1.00 0.00 H new ATOM 841 N PHE A 57 -0.327 6.300 0.546 1.00 0.00 N ATOM 842 CA PHE A 57 -0.792 7.586 0.039 1.00 0.00 C ATOM 843 C PHE A 57 -0.081 8.737 0.744 1.00 0.00 C ATOM 844 O PHE A 57 0.096 8.719 1.962 1.00 0.00 O ATOM 845 CB PHE A 57 -2.305 7.715 0.226 1.00 0.00 C ATOM 846 CG PHE A 57 -2.843 9.064 -0.158 1.00 0.00 C ATOM 847 CD1 PHE A 57 -2.684 9.546 -1.447 1.00 0.00 C ATOM 848 CD2 PHE A 57 -3.508 9.849 0.770 1.00 0.00 C ATOM 849 CE1 PHE A 57 -3.179 10.787 -1.804 1.00 0.00 C ATOM 850 CE2 PHE A 57 -4.005 11.090 0.419 1.00 0.00 C ATOM 851 CZ PHE A 57 -3.839 11.560 -0.869 1.00 0.00 C ATOM 0 H PHE A 57 -0.302 6.231 1.563 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.559 7.635 -1.025 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.803 6.951 -0.370 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.552 7.517 1.269 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.168 8.946 -2.181 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.639 9.487 1.779 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.050 11.151 -2.813 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.523 11.692 1.151 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.225 12.530 -1.145 1.00 0.00 H new ATOM 861 N ARG A 58 0.326 9.737 -0.031 1.00 0.00 N ATOM 862 CA ARG A 58 1.019 10.896 0.517 1.00 0.00 C ATOM 863 C ARG A 58 0.040 12.032 0.801 1.00 0.00 C ATOM 864 O ARG A 58 -0.891 12.270 0.031 1.00 0.00 O ATOM 865 CB ARG A 58 2.104 11.373 -0.450 1.00 0.00 C ATOM 866 CG ARG A 58 2.427 12.853 -0.322 1.00 0.00 C ATOM 867 CD ARG A 58 3.901 13.126 -0.576 1.00 0.00 C ATOM 868 NE ARG A 58 4.200 14.555 -0.579 1.00 0.00 N ATOM 869 CZ ARG A 58 5.242 15.086 -1.210 1.00 0.00 C ATOM 870 NH1 ARG A 58 6.078 14.310 -1.886 1.00 0.00 N ATOM 871 NH2 ARG A 58 5.447 16.396 -1.167 1.00 0.00 N ATOM 0 H ARG A 58 0.187 9.767 -1.041 1.00 0.00 H new ATOM 0 HA ARG A 58 1.485 10.598 1.456 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.012 10.795 -0.277 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.785 11.167 -1.471 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.824 13.421 -1.030 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.158 13.200 0.676 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.498 12.632 0.190 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.190 12.693 -1.534 1.00 0.00 H new ATOM 0 HE ARG A 58 3.575 15.180 -0.069 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.922 13.303 -1.923 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.877 14.720 -2.369 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.805 16.996 -0.649 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.247 16.803 -1.651 1.00 0.00 H new ATOM 885 N THR A 59 0.257 12.730 1.911 1.00 0.00 N ATOM 886 CA THR A 59 -0.606 13.839 2.297 1.00 0.00 C ATOM 887 C THR A 59 0.185 15.137 2.413 1.00 0.00 C ATOM 888 O THR A 59 1.414 15.123 2.456 1.00 0.00 O ATOM 889 CB THR A 59 -1.313 13.560 3.637 1.00 0.00 C ATOM 890 OG1 THR A 59 -0.349 13.486 4.693 1.00 0.00 O ATOM 891 CG2 THR A 59 -2.103 12.262 3.572 1.00 0.00 C ATOM 0 H THR A 59 1.023 12.547 2.559 1.00 0.00 H new ATOM 0 HA THR A 59 -1.356 13.943 1.513 1.00 0.00 H new ATOM 0 HB THR A 59 -2.005 14.378 3.835 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.153 12.648 4.619 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.593 12.086 4.529 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.855 12.333 2.787 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.427 11.435 3.353 1.00 0.00 H new ATOM 899 N ASN A 60 -0.529 16.257 2.464 1.00 0.00 N ATOM 900 CA ASN A 60 0.108 17.564 2.576 1.00 0.00 C ATOM 901 C ASN A 60 1.090 17.593 3.743 1.00 0.00 C ATOM 902 O ASN A 60 1.947 18.473 3.823 1.00 0.00 O ATOM 903 CB ASN A 60 -0.949 18.655 2.757 1.00 0.00 C ATOM 904 CG ASN A 60 -1.310 18.874 4.214 1.00 0.00 C ATOM 905 OD1 ASN A 60 -1.256 19.997 4.716 1.00 0.00 O ATOM 906 ND2 ASN A 60 -1.680 17.799 4.900 1.00 0.00 N ATOM 0 H ASN A 60 -1.548 16.286 2.430 1.00 0.00 H new ATOM 0 HA ASN A 60 0.661 17.751 1.655 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.580 19.589 2.333 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.846 18.384 2.200 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.934 17.885 5.884 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.710 16.888 4.443 1.00 0.00 H new ATOM 913 N GLU A 61 0.960 16.624 4.643 1.00 0.00 N ATOM 914 CA GLU A 61 1.836 16.540 5.806 1.00 0.00 C ATOM 915 C GLU A 61 2.937 15.506 5.583 1.00 0.00 C ATOM 916 O GLU A 61 4.091 15.856 5.341 1.00 0.00 O ATOM 917 CB GLU A 61 1.030 16.181 7.055 1.00 0.00 C ATOM 918 CG GLU A 61 0.280 17.359 7.655 1.00 0.00 C ATOM 919 CD GLU A 61 -0.909 16.928 8.493 1.00 0.00 C ATOM 920 OE1 GLU A 61 -0.713 16.128 9.432 1.00 0.00 O ATOM 921 OE2 GLU A 61 -2.033 17.391 8.209 1.00 0.00 O ATOM 0 H GLU A 61 0.257 15.887 4.590 1.00 0.00 H new ATOM 0 HA GLU A 61 2.300 17.516 5.951 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.316 15.397 6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.704 15.770 7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.962 17.943 8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.063 18.013 6.853 1.00 0.00 H new ATOM 928 N ASN A 62 2.569 14.232 5.668 1.00 0.00 N ATOM 929 CA ASN A 62 3.525 13.146 5.477 1.00 0.00 C ATOM 930 C ASN A 62 2.829 11.896 4.947 1.00 0.00 C ATOM 931 O ASN A 62 1.605 11.781 5.009 1.00 0.00 O ATOM 932 CB ASN A 62 4.236 12.828 6.793 1.00 0.00 C ATOM 933 CG ASN A 62 3.302 12.226 7.825 1.00 0.00 C ATOM 934 OD1 ASN A 62 2.886 11.074 7.705 1.00 0.00 O ATOM 935 ND2 ASN A 62 2.966 13.006 8.846 1.00 0.00 N ATOM 0 H ASN A 62 1.617 13.926 5.868 1.00 0.00 H new ATOM 0 HA ASN A 62 4.262 13.469 4.742 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.056 12.136 6.602 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.677 13.741 7.194 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.339 12.656 9.571 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.335 13.955 8.906 1.00 0.00 H new ATOM 942 N ILE A 63 3.618 10.963 4.426 1.00 0.00 N ATOM 943 CA ILE A 63 3.079 9.721 3.887 1.00 0.00 C ATOM 944 C ILE A 63 2.495 8.849 4.993 1.00 0.00 C ATOM 945 O ILE A 63 3.097 8.690 6.054 1.00 0.00 O ATOM 946 CB ILE A 63 4.156 8.919 3.132 1.00 0.00 C ATOM 947 CG1 ILE A 63 4.624 9.690 1.896 1.00 0.00 C ATOM 948 CG2 ILE A 63 3.620 7.551 2.739 1.00 0.00 C ATOM 949 CD1 ILE A 63 6.054 9.392 1.503 1.00 0.00 C ATOM 0 H ILE A 63 4.633 11.044 4.366 1.00 0.00 H new ATOM 0 HA ILE A 63 2.288 9.998 3.190 1.00 0.00 H new ATOM 0 HB ILE A 63 5.011 8.776 3.793 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.968 9.451 1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.523 10.759 2.085 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.393 6.997 2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.332 7.002 3.635 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.750 7.673 2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.317 9.973 0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.720 9.658 2.324 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.157 8.330 1.282 1.00 0.00 H new ATOM 961 N GLN A 64 1.318 8.286 4.736 1.00 0.00 N ATOM 962 CA GLN A 64 0.653 7.429 5.711 1.00 0.00 C ATOM 963 C GLN A 64 0.809 5.958 5.338 1.00 0.00 C ATOM 964 O GLN A 64 1.494 5.622 4.372 1.00 0.00 O ATOM 965 CB GLN A 64 -0.830 7.788 5.810 1.00 0.00 C ATOM 966 CG GLN A 64 -1.086 9.147 6.443 1.00 0.00 C ATOM 967 CD GLN A 64 -2.554 9.386 6.737 1.00 0.00 C ATOM 968 OE1 GLN A 64 -3.284 8.464 7.101 1.00 0.00 O ATOM 969 NE2 GLN A 64 -2.994 10.629 6.581 1.00 0.00 N ATOM 0 H GLN A 64 0.806 8.408 3.862 1.00 0.00 H new ATOM 0 HA GLN A 64 1.124 7.591 6.681 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.266 7.774 4.811 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.343 7.023 6.393 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.516 9.225 7.369 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.721 9.929 5.777 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.353 11.362 6.277 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.973 10.850 6.765 1.00 0.00 H new ATOM 978 N ARG A 65 0.168 5.086 6.110 1.00 0.00 N ATOM 979 CA ARG A 65 0.236 3.651 5.861 1.00 0.00 C ATOM 980 C ARG A 65 -1.079 2.972 6.233 1.00 0.00 C ATOM 981 O ARG A 65 -1.583 3.137 7.343 1.00 0.00 O ATOM 982 CB ARG A 65 1.386 3.029 6.656 1.00 0.00 C ATOM 983 CG ARG A 65 1.467 1.517 6.526 1.00 0.00 C ATOM 984 CD ARG A 65 2.645 0.953 7.305 1.00 0.00 C ATOM 985 NE ARG A 65 2.386 0.923 8.742 1.00 0.00 N ATOM 986 CZ ARG A 65 3.318 0.657 9.651 1.00 0.00 C ATOM 987 NH1 ARG A 65 4.563 0.401 9.274 1.00 0.00 N ATOM 988 NH2 ARG A 65 3.005 0.649 10.941 1.00 0.00 N ATOM 0 H ARG A 65 -0.404 5.348 6.913 1.00 0.00 H new ATOM 0 HA ARG A 65 0.415 3.500 4.796 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.327 3.465 6.320 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.272 3.289 7.708 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.542 1.069 6.889 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.561 1.246 5.475 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.862 -0.056 6.954 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.532 1.556 7.109 1.00 0.00 H new ATOM 0 HE ARG A 65 1.438 1.117 9.065 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.808 0.408 8.284 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.276 0.197 9.974 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.049 0.847 11.235 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.721 0.445 11.638 1.00 0.00 H new ATOM 1002 N PHE A 66 -1.629 2.208 5.295 1.00 0.00 N ATOM 1003 CA PHE A 66 -2.886 1.505 5.522 1.00 0.00 C ATOM 1004 C PHE A 66 -2.645 0.012 5.728 1.00 0.00 C ATOM 1005 O PHE A 66 -1.503 -0.448 5.745 1.00 0.00 O ATOM 1006 CB PHE A 66 -3.837 1.722 4.344 1.00 0.00 C ATOM 1007 CG PHE A 66 -4.140 3.169 4.077 1.00 0.00 C ATOM 1008 CD1 PHE A 66 -5.142 3.821 4.777 1.00 0.00 C ATOM 1009 CD2 PHE A 66 -3.424 3.876 3.124 1.00 0.00 C ATOM 1010 CE1 PHE A 66 -5.423 5.153 4.534 1.00 0.00 C ATOM 1011 CE2 PHE A 66 -3.700 5.207 2.877 1.00 0.00 C ATOM 1012 CZ PHE A 66 -4.702 5.846 3.582 1.00 0.00 C ATOM 0 H PHE A 66 -1.224 2.060 4.371 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.341 1.910 6.426 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.401 1.279 3.449 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.770 1.193 4.539 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.710 3.283 5.521 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.641 3.381 2.568 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.205 5.650 5.088 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.133 5.748 2.134 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.921 6.886 3.389 1.00 0.00 H new ATOM 1022 N LYS A 67 -3.729 -0.740 5.883 1.00 0.00 N ATOM 1023 CA LYS A 67 -3.638 -2.181 6.087 1.00 0.00 C ATOM 1024 C LYS A 67 -4.774 -2.905 5.370 1.00 0.00 C ATOM 1025 O LYS A 67 -5.949 -2.637 5.622 1.00 0.00 O ATOM 1026 CB LYS A 67 -3.673 -2.509 7.581 1.00 0.00 C ATOM 1027 CG LYS A 67 -2.564 -1.842 8.376 1.00 0.00 C ATOM 1028 CD LYS A 67 -2.700 -2.119 9.864 1.00 0.00 C ATOM 1029 CE LYS A 67 -3.762 -1.236 10.500 1.00 0.00 C ATOM 1030 NZ LYS A 67 -3.240 0.126 10.806 1.00 0.00 N ATOM 0 H LYS A 67 -4.682 -0.375 5.871 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.691 -2.523 5.669 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.636 -2.203 7.989 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.601 -3.589 7.709 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.597 -2.202 8.025 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.587 -0.766 8.202 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.957 -3.167 10.018 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.742 -1.950 10.356 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.617 -1.155 9.829 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.120 -1.702 11.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.994 0.698 11.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.440 0.051 11.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.921 0.581 9.927 1.00 0.00 H new ATOM 1044 N ILE A 68 -4.416 -3.822 4.478 1.00 0.00 N ATOM 1045 CA ILE A 68 -5.405 -4.585 3.728 1.00 0.00 C ATOM 1046 C ILE A 68 -5.251 -6.081 3.978 1.00 0.00 C ATOM 1047 O ILE A 68 -4.400 -6.737 3.375 1.00 0.00 O ATOM 1048 CB ILE A 68 -5.297 -4.315 2.216 1.00 0.00 C ATOM 1049 CG1 ILE A 68 -5.405 -2.814 1.935 1.00 0.00 C ATOM 1050 CG2 ILE A 68 -6.374 -5.080 1.462 1.00 0.00 C ATOM 1051 CD1 ILE A 68 -5.051 -2.439 0.513 1.00 0.00 C ATOM 0 H ILE A 68 -3.448 -4.055 4.257 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.385 -4.260 4.078 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.324 -4.662 1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.423 -2.485 2.146 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.748 -2.276 2.618 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.284 -4.878 0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.254 -6.149 1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.357 -4.762 1.810 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.150 -1.361 0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.024 -2.737 0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.724 -2.949 -0.176 1.00 0.00 H new ATOM 1063 N CYS A 69 -6.079 -6.615 4.869 1.00 0.00 N ATOM 1064 CA CYS A 69 -6.035 -8.035 5.198 1.00 0.00 C ATOM 1065 C CYS A 69 -6.871 -8.848 4.214 1.00 0.00 C ATOM 1066 O CYS A 69 -7.951 -8.435 3.790 1.00 0.00 O ATOM 1067 CB CYS A 69 -6.538 -8.265 6.624 1.00 0.00 C ATOM 1068 SG CYS A 69 -5.455 -7.591 7.906 1.00 0.00 S ATOM 0 H CYS A 69 -6.789 -6.086 5.376 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.999 -8.367 5.127 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -7.526 -7.817 6.726 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -6.655 -9.336 6.788 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.966 -7.833 9.077 1.00 0.00 H new ATOM 1074 N PRO A 70 -6.361 -10.030 3.840 1.00 0.00 N ATOM 1075 CA PRO A 70 -7.044 -10.925 2.900 1.00 0.00 C ATOM 1076 C PRO A 70 -8.300 -11.546 3.500 1.00 0.00 C ATOM 1077 O PRO A 70 -8.422 -11.674 4.719 1.00 0.00 O ATOM 1078 CB PRO A 70 -5.997 -12.005 2.615 1.00 0.00 C ATOM 1079 CG PRO A 70 -5.118 -12.008 3.817 1.00 0.00 C ATOM 1080 CD PRO A 70 -5.079 -10.586 4.305 1.00 0.00 C ATOM 0 HA PRO A 70 -7.386 -10.397 2.009 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.464 -12.978 2.464 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.431 -11.779 1.711 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.510 -12.674 4.586 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.118 -12.363 3.568 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.989 -10.536 5.390 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.231 -10.042 3.890 1.00 0.00 H new ATOM 1088 N THR A 71 -9.235 -11.932 2.637 1.00 0.00 N ATOM 1089 CA THR A 71 -10.483 -12.539 3.082 1.00 0.00 C ATOM 1090 C THR A 71 -10.760 -13.837 2.332 1.00 0.00 C ATOM 1091 O THR A 71 -10.348 -14.021 1.187 1.00 0.00 O ATOM 1092 CB THR A 71 -11.674 -11.582 2.887 1.00 0.00 C ATOM 1093 OG1 THR A 71 -11.730 -11.141 1.526 1.00 0.00 O ATOM 1094 CG2 THR A 71 -11.558 -10.380 3.811 1.00 0.00 C ATOM 0 H THR A 71 -9.151 -11.835 1.625 1.00 0.00 H new ATOM 0 HA THR A 71 -10.370 -12.753 4.145 1.00 0.00 H new ATOM 0 HB THR A 71 -12.589 -12.121 3.131 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.915 -11.420 1.058 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.410 -9.718 3.656 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.545 -10.718 4.847 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.636 -9.841 3.593 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.477 -14.760 2.991 1.00 0.00 N ATOM 1103 CA PRO A 72 -11.827 -16.057 2.405 1.00 0.00 C ATOM 1104 C PRO A 72 -12.846 -15.928 1.278 1.00 0.00 C ATOM 1105 O PRO A 72 -13.185 -16.911 0.620 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.426 -16.829 3.583 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.937 -15.776 4.505 1.00 0.00 C ATOM 1108 CD PRO A 72 -12.001 -14.608 4.359 1.00 0.00 C ATOM 0 HA PRO A 72 -10.964 -16.546 1.953 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.227 -17.492 3.256 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.676 -17.452 4.070 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.957 -15.493 4.247 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.956 -16.134 5.534 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.520 -13.658 4.487 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.203 -14.637 5.101 1.00 0.00 H new ATOM 1116 N ASN A 73 -13.331 -14.710 1.062 1.00 0.00 N ATOM 1117 CA ASN A 73 -14.312 -14.453 0.014 1.00 0.00 C ATOM 1118 C ASN A 73 -13.652 -13.820 -1.207 1.00 0.00 C ATOM 1119 O ASN A 73 -14.175 -12.869 -1.786 1.00 0.00 O ATOM 1120 CB ASN A 73 -15.421 -13.538 0.539 1.00 0.00 C ATOM 1121 CG ASN A 73 -16.379 -14.263 1.464 1.00 0.00 C ATOM 1122 OD1 ASN A 73 -16.525 -13.902 2.632 1.00 0.00 O ATOM 1123 ND2 ASN A 73 -17.037 -15.294 0.946 1.00 0.00 N ATOM 0 H ASN A 73 -13.061 -13.886 1.598 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.746 -15.407 -0.284 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -14.974 -12.697 1.070 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -15.976 -13.124 -0.303 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -17.694 -15.821 1.522 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -16.885 -15.559 -0.027 1.00 0.00 H new ATOM 1130 N ASN A 74 -12.498 -14.356 -1.593 1.00 0.00 N ATOM 1131 CA ASN A 74 -11.766 -13.845 -2.745 1.00 0.00 C ATOM 1132 C ASN A 74 -11.862 -12.324 -2.820 1.00 0.00 C ATOM 1133 O ASN A 74 -12.025 -11.755 -3.899 1.00 0.00 O ATOM 1134 CB ASN A 74 -12.306 -14.465 -4.036 1.00 0.00 C ATOM 1135 CG ASN A 74 -12.480 -15.967 -3.926 1.00 0.00 C ATOM 1136 OD1 ASN A 74 -11.854 -16.616 -3.089 1.00 0.00 O ATOM 1137 ND2 ASN A 74 -13.334 -16.527 -4.775 1.00 0.00 N ATOM 0 H ASN A 74 -12.051 -15.144 -1.124 1.00 0.00 H new ATOM 0 HA ASN A 74 -10.718 -14.120 -2.628 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.264 -14.008 -4.282 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -11.625 -14.240 -4.857 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.492 -17.534 -4.749 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.832 -15.950 -5.453 1.00 0.00 H new ATOM 1144 N GLN A 75 -11.759 -11.673 -1.666 1.00 0.00 N ATOM 1145 CA GLN A 75 -11.834 -10.218 -1.600 1.00 0.00 C ATOM 1146 C GLN A 75 -10.792 -9.662 -0.636 1.00 0.00 C ATOM 1147 O GLN A 75 -10.008 -10.411 -0.054 1.00 0.00 O ATOM 1148 CB GLN A 75 -13.234 -9.778 -1.168 1.00 0.00 C ATOM 1149 CG GLN A 75 -14.285 -9.937 -2.254 1.00 0.00 C ATOM 1150 CD GLN A 75 -15.698 -9.925 -1.706 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -15.906 -9.817 -0.497 1.00 0.00 O ATOM 1152 NE2 GLN A 75 -16.679 -10.036 -2.594 1.00 0.00 N ATOM 0 H GLN A 75 -11.623 -12.130 -0.764 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.628 -9.823 -2.595 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.535 -10.358 -0.296 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.198 -8.733 -0.859 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.175 -9.133 -2.981 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.114 -10.873 -2.786 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.461 -10.123 -3.587 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.651 -10.034 -2.284 1.00 0.00 H new ATOM 1161 N PHE A 76 -10.790 -8.343 -0.471 1.00 0.00 N ATOM 1162 CA PHE A 76 -9.844 -7.686 0.423 1.00 0.00 C ATOM 1163 C PHE A 76 -10.569 -6.770 1.405 1.00 0.00 C ATOM 1164 O PHE A 76 -11.607 -6.193 1.082 1.00 0.00 O ATOM 1165 CB PHE A 76 -8.823 -6.881 -0.384 1.00 0.00 C ATOM 1166 CG PHE A 76 -7.992 -7.723 -1.310 1.00 0.00 C ATOM 1167 CD1 PHE A 76 -8.540 -8.248 -2.469 1.00 0.00 C ATOM 1168 CD2 PHE A 76 -6.663 -7.989 -1.021 1.00 0.00 C ATOM 1169 CE1 PHE A 76 -7.777 -9.024 -3.322 1.00 0.00 C ATOM 1170 CE2 PHE A 76 -5.896 -8.763 -1.870 1.00 0.00 C ATOM 1171 CZ PHE A 76 -6.454 -9.281 -3.023 1.00 0.00 C ATOM 0 H PHE A 76 -11.433 -7.709 -0.945 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.323 -8.457 0.990 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.348 -6.124 -0.967 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.163 -6.353 0.304 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.574 -8.049 -2.709 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.222 -7.586 -0.121 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.216 -9.429 -4.222 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.862 -8.963 -1.633 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.856 -9.886 -3.689 1.00 0.00 H new ATOM 1181 N MET A 77 -10.014 -6.643 2.606 1.00 0.00 N ATOM 1182 CA MET A 77 -10.606 -5.797 3.635 1.00 0.00 C ATOM 1183 C MET A 77 -9.718 -4.592 3.928 1.00 0.00 C ATOM 1184 O MET A 77 -8.529 -4.741 4.211 1.00 0.00 O ATOM 1185 CB MET A 77 -10.834 -6.601 4.917 1.00 0.00 C ATOM 1186 CG MET A 77 -12.167 -7.331 4.947 1.00 0.00 C ATOM 1187 SD MET A 77 -12.251 -8.567 6.257 1.00 0.00 S ATOM 1188 CE MET A 77 -11.365 -7.731 7.570 1.00 0.00 C ATOM 0 H MET A 77 -9.156 -7.115 2.890 1.00 0.00 H new ATOM 0 HA MET A 77 -11.566 -5.436 3.265 1.00 0.00 H new ATOM 0 HB2 MET A 77 -10.029 -7.327 5.029 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.778 -5.928 5.773 1.00 0.00 H new ATOM 0 HG2 MET A 77 -12.970 -6.607 5.083 1.00 0.00 H new ATOM 0 HG3 MET A 77 -12.334 -7.815 3.985 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.569 -8.226 8.519 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.295 -7.765 7.366 1.00 0.00 H new ATOM 0 HE3 MET A 77 -11.691 -6.692 7.625 1.00 0.00 H new ATOM 1198 N MET A 78 -10.301 -3.400 3.856 1.00 0.00 N ATOM 1199 CA MET A 78 -9.561 -2.171 4.114 1.00 0.00 C ATOM 1200 C MET A 78 -10.343 -1.251 5.048 1.00 0.00 C ATOM 1201 O MET A 78 -11.226 -0.514 4.612 1.00 0.00 O ATOM 1202 CB MET A 78 -9.259 -1.446 2.801 1.00 0.00 C ATOM 1203 CG MET A 78 -8.129 -0.436 2.910 1.00 0.00 C ATOM 1204 SD MET A 78 -7.805 0.415 1.353 1.00 0.00 S ATOM 1205 CE MET A 78 -7.218 1.998 1.949 1.00 0.00 C ATOM 0 H MET A 78 -11.284 -3.259 3.621 1.00 0.00 H new ATOM 0 HA MET A 78 -8.621 -2.438 4.598 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.004 -2.183 2.039 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.160 -0.935 2.462 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.376 0.299 3.676 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.222 -0.945 3.237 1.00 0.00 H new ATOM 0 HE1 MET A 78 -7.329 2.746 1.164 1.00 0.00 H new ATOM 0 HE2 MET A 78 -7.800 2.297 2.820 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.167 1.916 2.226 1.00 0.00 H new ATOM 1215 N GLY A 79 -10.012 -1.301 6.334 1.00 0.00 N ATOM 1216 CA GLY A 79 -10.693 -0.469 7.308 1.00 0.00 C ATOM 1217 C GLY A 79 -12.089 -0.969 7.624 1.00 0.00 C ATOM 1218 O GLY A 79 -13.059 -0.217 7.539 1.00 0.00 O ATOM 0 H GLY A 79 -9.284 -1.903 6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.106 -0.435 8.226 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.753 0.552 6.930 1.00 0.00 H new ATOM 1222 N GLY A 80 -12.191 -2.244 7.988 1.00 0.00 N ATOM 1223 CA GLY A 80 -13.483 -2.822 8.310 1.00 0.00 C ATOM 1224 C GLY A 80 -14.470 -2.708 7.165 1.00 0.00 C ATOM 1225 O GLY A 80 -15.672 -2.560 7.386 1.00 0.00 O ATOM 0 H GLY A 80 -11.403 -2.886 8.066 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.353 -3.872 8.571 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.892 -2.324 9.189 1.00 0.00 H new ATOM 1229 N ARG A 81 -13.963 -2.776 5.939 1.00 0.00 N ATOM 1230 CA ARG A 81 -14.808 -2.677 4.756 1.00 0.00 C ATOM 1231 C ARG A 81 -14.542 -3.834 3.798 1.00 0.00 C ATOM 1232 O ARG A 81 -13.475 -4.447 3.831 1.00 0.00 O ATOM 1233 CB ARG A 81 -14.569 -1.345 4.042 1.00 0.00 C ATOM 1234 CG ARG A 81 -14.960 -0.131 4.869 1.00 0.00 C ATOM 1235 CD ARG A 81 -14.461 1.158 4.237 1.00 0.00 C ATOM 1236 NE ARG A 81 -15.214 2.321 4.698 1.00 0.00 N ATOM 1237 CZ ARG A 81 -15.135 2.806 5.933 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -14.339 2.231 6.824 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -15.852 3.868 6.278 1.00 0.00 N ATOM 0 H ARG A 81 -12.970 -2.899 5.739 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.848 -2.727 5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.514 -1.269 3.777 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.134 -1.336 3.110 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.045 -0.092 4.969 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.550 -0.227 5.874 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -13.405 1.293 4.473 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.538 1.083 3.152 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.835 2.787 4.036 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -13.786 1.415 6.562 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -14.280 2.605 7.771 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.465 4.313 5.595 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -15.790 4.239 7.226 1.00 0.00 H new ATOM 1253 N TYR A 82 -15.519 -4.128 2.947 1.00 0.00 N ATOM 1254 CA TYR A 82 -15.391 -5.214 1.982 1.00 0.00 C ATOM 1255 C TYR A 82 -15.539 -4.695 0.555 1.00 0.00 C ATOM 1256 O TYR A 82 -16.406 -3.869 0.270 1.00 0.00 O ATOM 1257 CB TYR A 82 -16.441 -6.293 2.256 1.00 0.00 C ATOM 1258 CG TYR A 82 -16.615 -6.610 3.724 1.00 0.00 C ATOM 1259 CD1 TYR A 82 -15.567 -7.136 4.470 1.00 0.00 C ATOM 1260 CD2 TYR A 82 -17.827 -6.386 4.364 1.00 0.00 C ATOM 1261 CE1 TYR A 82 -15.722 -7.428 5.811 1.00 0.00 C ATOM 1262 CE2 TYR A 82 -17.990 -6.673 5.706 1.00 0.00 C ATOM 1263 CZ TYR A 82 -16.935 -7.195 6.425 1.00 0.00 C ATOM 1264 OH TYR A 82 -17.094 -7.484 7.761 1.00 0.00 O ATOM 0 H TYR A 82 -16.408 -3.630 2.906 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.397 -5.648 2.090 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -17.398 -5.969 1.847 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -16.160 -7.204 1.727 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.616 -7.319 3.993 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -18.656 -5.981 3.803 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.897 -7.837 6.376 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -18.938 -6.490 6.189 1.00 0.00 H new ATOM 0 HH TYR A 82 -18.007 -7.260 8.038 1.00 0.00 H new ATOM 1274 N TYR A 83 -14.686 -5.187 -0.337 1.00 0.00 N ATOM 1275 CA TYR A 83 -14.719 -4.772 -1.734 1.00 0.00 C ATOM 1276 C TYR A 83 -14.358 -5.934 -2.655 1.00 0.00 C ATOM 1277 O TYR A 83 -13.430 -6.694 -2.380 1.00 0.00 O ATOM 1278 CB TYR A 83 -13.757 -3.606 -1.965 1.00 0.00 C ATOM 1279 CG TYR A 83 -14.124 -2.357 -1.195 1.00 0.00 C ATOM 1280 CD1 TYR A 83 -13.673 -2.161 0.105 1.00 0.00 C ATOM 1281 CD2 TYR A 83 -14.922 -1.374 -1.767 1.00 0.00 C ATOM 1282 CE1 TYR A 83 -14.006 -1.022 0.812 1.00 0.00 C ATOM 1283 CE2 TYR A 83 -15.259 -0.231 -1.067 1.00 0.00 C ATOM 1284 CZ TYR A 83 -14.799 -0.060 0.222 1.00 0.00 C ATOM 1285 OH TYR A 83 -15.133 1.076 0.922 1.00 0.00 O ATOM 0 H TYR A 83 -13.964 -5.873 -0.117 1.00 0.00 H new ATOM 0 HA TYR A 83 -15.733 -4.448 -1.967 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -12.751 -3.915 -1.682 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -13.731 -3.372 -3.029 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -13.052 -2.912 0.570 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -15.285 -1.505 -2.776 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -13.647 -0.885 1.821 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -15.879 0.524 -1.527 1.00 0.00 H new ATOM 0 HH TYR A 83 -16.068 1.309 0.741 1.00 0.00 H new ATOM 1295 N ASN A 84 -15.099 -6.064 -3.751 1.00 0.00 N ATOM 1296 CA ASN A 84 -14.858 -7.132 -4.715 1.00 0.00 C ATOM 1297 C ASN A 84 -13.362 -7.359 -4.912 1.00 0.00 C ATOM 1298 O ASN A 84 -12.870 -8.479 -4.773 1.00 0.00 O ATOM 1299 CB ASN A 84 -15.515 -6.796 -6.055 1.00 0.00 C ATOM 1300 CG ASN A 84 -14.955 -7.622 -7.196 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -14.481 -8.741 -6.994 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -15.006 -7.074 -8.405 1.00 0.00 N ATOM 0 H ASN A 84 -15.871 -5.443 -3.994 1.00 0.00 H new ATOM 0 HA ASN A 84 -15.298 -8.048 -4.322 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -16.590 -6.964 -5.982 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -15.371 -5.737 -6.272 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -14.644 -7.583 -9.211 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -15.407 -6.144 -8.527 1.00 0.00 H new ATOM 1309 N SER A 85 -12.644 -6.289 -5.235 1.00 0.00 N ATOM 1310 CA SER A 85 -11.204 -6.371 -5.454 1.00 0.00 C ATOM 1311 C SER A 85 -10.549 -5.005 -5.279 1.00 0.00 C ATOM 1312 O SER A 85 -11.199 -3.969 -5.421 1.00 0.00 O ATOM 1313 CB SER A 85 -10.911 -6.915 -6.854 1.00 0.00 C ATOM 1314 OG SER A 85 -9.536 -7.225 -7.003 1.00 0.00 O ATOM 0 H SER A 85 -13.035 -5.354 -5.351 1.00 0.00 H new ATOM 0 HA SER A 85 -10.786 -7.052 -4.712 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.510 -7.808 -7.033 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.204 -6.179 -7.602 1.00 0.00 H new ATOM 0 HG SER A 85 -9.375 -7.572 -7.905 1.00 0.00 H new ATOM 1320 N ILE A 86 -9.256 -5.011 -4.969 1.00 0.00 N ATOM 1321 CA ILE A 86 -8.512 -3.773 -4.775 1.00 0.00 C ATOM 1322 C ILE A 86 -8.984 -2.691 -5.740 1.00 0.00 C ATOM 1323 O ILE A 86 -9.423 -1.621 -5.322 1.00 0.00 O ATOM 1324 CB ILE A 86 -6.999 -3.991 -4.966 1.00 0.00 C ATOM 1325 CG1 ILE A 86 -6.449 -4.897 -3.863 1.00 0.00 C ATOM 1326 CG2 ILE A 86 -6.269 -2.656 -4.975 1.00 0.00 C ATOM 1327 CD1 ILE A 86 -5.057 -5.417 -4.146 1.00 0.00 C ATOM 0 H ILE A 86 -8.703 -5.859 -4.847 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.698 -3.449 -3.751 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.835 -4.479 -5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.438 -4.345 -2.923 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.124 -5.743 -3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.201 -2.826 -5.111 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.645 -2.041 -5.793 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.437 -2.143 -4.028 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.731 -6.052 -3.322 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -5.066 -5.996 -5.069 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.369 -4.578 -4.251 1.00 0.00 H new ATOM 1339 N GLY A 87 -8.892 -2.979 -7.035 1.00 0.00 N ATOM 1340 CA GLY A 87 -9.315 -2.021 -8.040 1.00 0.00 C ATOM 1341 C GLY A 87 -10.562 -1.262 -7.629 1.00 0.00 C ATOM 1342 O GLY A 87 -10.623 -0.039 -7.757 1.00 0.00 O ATOM 0 H GLY A 87 -8.532 -3.858 -7.406 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.507 -1.313 -8.226 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.504 -2.543 -8.978 1.00 0.00 H new ATOM 1346 N ASP A 88 -11.559 -1.989 -7.136 1.00 0.00 N ATOM 1347 CA ASP A 88 -12.810 -1.377 -6.705 1.00 0.00 C ATOM 1348 C ASP A 88 -12.562 -0.342 -5.612 1.00 0.00 C ATOM 1349 O ASP A 88 -12.892 0.834 -5.771 1.00 0.00 O ATOM 1350 CB ASP A 88 -13.779 -2.448 -6.200 1.00 0.00 C ATOM 1351 CG ASP A 88 -14.405 -3.242 -7.330 1.00 0.00 C ATOM 1352 OD1 ASP A 88 -13.654 -3.903 -8.078 1.00 0.00 O ATOM 1353 OD2 ASP A 88 -15.645 -3.202 -7.466 1.00 0.00 O ATOM 0 H ASP A 88 -11.525 -3.002 -7.025 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.253 -0.872 -7.564 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.249 -3.128 -5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.566 -1.974 -5.613 1.00 0.00 H new ATOM 1358 N ILE A 89 -11.979 -0.787 -4.504 1.00 0.00 N ATOM 1359 CA ILE A 89 -11.687 0.101 -3.386 1.00 0.00 C ATOM 1360 C ILE A 89 -11.281 1.486 -3.876 1.00 0.00 C ATOM 1361 O ILE A 89 -11.688 2.500 -3.309 1.00 0.00 O ATOM 1362 CB ILE A 89 -10.566 -0.466 -2.495 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -11.037 -1.741 -1.793 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -10.122 0.573 -1.477 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.904 -2.619 -1.310 1.00 0.00 C ATOM 0 H ILE A 89 -11.700 -1.757 -4.357 1.00 0.00 H new ATOM 0 HA ILE A 89 -12.602 0.180 -2.798 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.713 -0.716 -3.126 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -11.662 -1.468 -0.943 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.663 -2.313 -2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -9.329 0.157 -0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.750 1.456 -1.997 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.968 0.852 -0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.312 -3.504 -0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.291 -2.922 -2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.291 -2.064 -0.600 1.00 0.00 H new ATOM 1377 N ILE A 90 -10.476 1.522 -4.933 1.00 0.00 N ATOM 1378 CA ILE A 90 -10.017 2.783 -5.501 1.00 0.00 C ATOM 1379 C ILE A 90 -11.188 3.608 -6.027 1.00 0.00 C ATOM 1380 O ILE A 90 -11.515 4.660 -5.478 1.00 0.00 O ATOM 1381 CB ILE A 90 -9.012 2.553 -6.644 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -7.782 1.803 -6.128 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -8.606 3.880 -7.268 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -6.893 1.269 -7.229 1.00 0.00 C ATOM 0 H ILE A 90 -10.128 0.692 -5.413 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.522 3.329 -4.698 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.491 1.944 -7.411 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.199 2.471 -5.494 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.109 0.973 -5.502 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.895 3.700 -8.075 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.489 4.380 -7.667 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.143 4.512 -6.510 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.042 0.749 -6.789 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.460 0.576 -7.850 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.536 2.097 -7.842 1.00 0.00 H new ATOM 1396 N ASP A 91 -11.815 3.121 -7.092 1.00 0.00 N ATOM 1397 CA ASP A 91 -12.952 3.811 -7.691 1.00 0.00 C ATOM 1398 C ASP A 91 -13.915 4.305 -6.617 1.00 0.00 C ATOM 1399 O ASP A 91 -14.592 5.319 -6.794 1.00 0.00 O ATOM 1400 CB ASP A 91 -13.684 2.884 -8.663 1.00 0.00 C ATOM 1401 CG ASP A 91 -13.115 2.951 -10.067 1.00 0.00 C ATOM 1402 OD1 ASP A 91 -12.412 3.936 -10.376 1.00 0.00 O ATOM 1403 OD2 ASP A 91 -13.371 2.018 -10.855 1.00 0.00 O ATOM 0 H ASP A 91 -11.556 2.252 -7.558 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.574 4.674 -8.239 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -13.623 1.859 -8.298 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.740 3.151 -8.689 1.00 0.00 H new ATOM 1408 N HIS A 92 -13.973 3.582 -5.503 1.00 0.00 N ATOM 1409 CA HIS A 92 -14.855 3.947 -4.400 1.00 0.00 C ATOM 1410 C HIS A 92 -14.304 5.149 -3.639 1.00 0.00 C ATOM 1411 O HIS A 92 -15.037 6.086 -3.323 1.00 0.00 O ATOM 1412 CB HIS A 92 -15.032 2.763 -3.448 1.00 0.00 C ATOM 1413 CG HIS A 92 -16.002 3.028 -2.338 1.00 0.00 C ATOM 1414 ND1 HIS A 92 -17.346 2.732 -2.427 1.00 0.00 N ATOM 1415 CD2 HIS A 92 -15.816 3.561 -1.108 1.00 0.00 C ATOM 1416 CE1 HIS A 92 -17.945 3.075 -1.300 1.00 0.00 C ATOM 1417 NE2 HIS A 92 -17.039 3.580 -0.483 1.00 0.00 N ATOM 0 H HIS A 92 -13.420 2.740 -5.340 1.00 0.00 H new ATOM 0 HA HIS A 92 -15.825 4.217 -4.817 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -15.371 1.897 -4.017 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -14.064 2.504 -3.020 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -14.880 3.907 -0.695 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -18.997 2.961 -1.084 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -17.218 3.928 0.459 1.00 0.00 H new ATOM 1425 N TYR A 93 -13.008 5.115 -3.346 1.00 0.00 N ATOM 1426 CA TYR A 93 -12.360 6.200 -2.620 1.00 0.00 C ATOM 1427 C TYR A 93 -12.451 7.508 -3.399 1.00 0.00 C ATOM 1428 O TYR A 93 -12.727 8.564 -2.830 1.00 0.00 O ATOM 1429 CB TYR A 93 -10.894 5.856 -2.348 1.00 0.00 C ATOM 1430 CG TYR A 93 -10.688 5.024 -1.103 1.00 0.00 C ATOM 1431 CD1 TYR A 93 -11.323 5.352 0.089 1.00 0.00 C ATOM 1432 CD2 TYR A 93 -9.859 3.909 -1.118 1.00 0.00 C ATOM 1433 CE1 TYR A 93 -11.137 4.595 1.229 1.00 0.00 C ATOM 1434 CE2 TYR A 93 -9.668 3.145 0.018 1.00 0.00 C ATOM 1435 CZ TYR A 93 -10.309 3.493 1.189 1.00 0.00 C ATOM 1436 OH TYR A 93 -10.122 2.735 2.322 1.00 0.00 O ATOM 0 H TYR A 93 -12.386 4.347 -3.600 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.879 6.328 -1.670 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.491 5.317 -3.206 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.324 6.780 -2.255 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.973 6.214 0.124 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.355 3.635 -2.033 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.638 4.865 2.147 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.021 2.281 -0.011 1.00 0.00 H new ATOM 0 HH TYR A 93 -9.883 1.819 2.067 1.00 0.00 H new ATOM 1446 N ARG A 94 -12.217 7.429 -4.705 1.00 0.00 N ATOM 1447 CA ARG A 94 -12.272 8.606 -5.563 1.00 0.00 C ATOM 1448 C ARG A 94 -13.448 9.501 -5.185 1.00 0.00 C ATOM 1449 O ARG A 94 -13.332 10.727 -5.174 1.00 0.00 O ATOM 1450 CB ARG A 94 -12.386 8.188 -7.030 1.00 0.00 C ATOM 1451 CG ARG A 94 -11.074 7.709 -7.631 1.00 0.00 C ATOM 1452 CD ARG A 94 -11.282 7.100 -9.009 1.00 0.00 C ATOM 1453 NE ARG A 94 -10.289 6.071 -9.307 1.00 0.00 N ATOM 1454 CZ ARG A 94 -9.003 6.329 -9.515 1.00 0.00 C ATOM 1455 NH1 ARG A 94 -8.556 7.576 -9.456 1.00 0.00 N ATOM 1456 NH2 ARG A 94 -8.161 5.339 -9.782 1.00 0.00 N ATOM 0 H ARG A 94 -11.988 6.562 -5.192 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.350 9.170 -5.423 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.127 7.393 -7.116 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.756 9.032 -7.612 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.379 8.545 -7.703 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.618 6.971 -6.971 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.281 6.668 -9.068 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -11.229 7.884 -9.764 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.600 5.101 -9.358 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.200 8.340 -9.250 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -7.568 7.772 -9.616 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.501 4.378 -9.828 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -7.174 5.538 -9.942 1.00 0.00 H new ATOM 1470 N LYS A 95 -14.582 8.880 -4.876 1.00 0.00 N ATOM 1471 CA LYS A 95 -15.780 9.618 -4.497 1.00 0.00 C ATOM 1472 C LYS A 95 -15.927 9.674 -2.980 1.00 0.00 C ATOM 1473 O LYS A 95 -16.659 10.509 -2.449 1.00 0.00 O ATOM 1474 CB LYS A 95 -17.021 8.971 -5.117 1.00 0.00 C ATOM 1475 CG LYS A 95 -17.422 7.665 -4.451 1.00 0.00 C ATOM 1476 CD LYS A 95 -18.790 7.199 -4.920 1.00 0.00 C ATOM 1477 CE LYS A 95 -19.499 6.385 -3.847 1.00 0.00 C ATOM 1478 NZ LYS A 95 -19.056 4.964 -3.846 1.00 0.00 N ATOM 0 H LYS A 95 -14.696 7.866 -4.881 1.00 0.00 H new ATOM 0 HA LYS A 95 -15.683 10.636 -4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.854 9.671 -5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -16.835 8.788 -6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.679 6.899 -4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -17.432 7.795 -3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -19.399 8.063 -5.185 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -18.681 6.597 -5.822 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -19.306 6.826 -2.869 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -20.576 6.430 -4.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -19.798 4.369 -3.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -18.877 4.655 -4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -18.182 4.873 -3.289 1.00 0.00 H new ATOM 1492 N GLU A 96 -15.226 8.781 -2.288 1.00 0.00 N ATOM 1493 CA GLU A 96 -15.279 8.730 -0.832 1.00 0.00 C ATOM 1494 C GLU A 96 -13.904 9.000 -0.228 1.00 0.00 C ATOM 1495 O GLU A 96 -12.961 8.240 -0.442 1.00 0.00 O ATOM 1496 CB GLU A 96 -15.795 7.367 -0.365 1.00 0.00 C ATOM 1497 CG GLU A 96 -17.309 7.291 -0.266 1.00 0.00 C ATOM 1498 CD GLU A 96 -17.850 8.011 0.954 1.00 0.00 C ATOM 1499 OE1 GLU A 96 -17.892 9.259 0.938 1.00 0.00 O ATOM 1500 OE2 GLU A 96 -18.233 7.325 1.926 1.00 0.00 O ATOM 0 H GLU A 96 -14.615 8.083 -2.713 1.00 0.00 H new ATOM 0 HA GLU A 96 -15.965 9.506 -0.492 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.445 6.600 -1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.364 7.139 0.610 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -17.750 7.723 -1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.615 6.245 -0.232 1.00 0.00 H new ATOM 1507 N GLN A 97 -13.800 10.089 0.528 1.00 0.00 N ATOM 1508 CA GLN A 97 -12.541 10.460 1.162 1.00 0.00 C ATOM 1509 C GLN A 97 -11.897 9.255 1.841 1.00 0.00 C ATOM 1510 O GLN A 97 -12.477 8.659 2.749 1.00 0.00 O ATOM 1511 CB GLN A 97 -12.769 11.575 2.185 1.00 0.00 C ATOM 1512 CG GLN A 97 -13.210 12.890 1.563 1.00 0.00 C ATOM 1513 CD GLN A 97 -13.304 14.013 2.577 1.00 0.00 C ATOM 1514 OE1 GLN A 97 -13.971 13.883 3.604 1.00 0.00 O ATOM 1515 NE2 GLN A 97 -12.633 15.123 2.295 1.00 0.00 N ATOM 0 H GLN A 97 -14.572 10.729 0.716 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.866 10.821 0.386 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.523 11.251 2.902 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.848 11.738 2.744 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.506 13.171 0.780 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -14.181 12.754 1.086 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -12.093 15.187 1.432 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.657 15.912 2.941 1.00 0.00 H new ATOM 1524 N ILE A 98 -10.697 8.903 1.394 1.00 0.00 N ATOM 1525 CA ILE A 98 -9.975 7.769 1.959 1.00 0.00 C ATOM 1526 C ILE A 98 -9.394 8.114 3.327 1.00 0.00 C ATOM 1527 O ILE A 98 -9.214 7.240 4.175 1.00 0.00 O ATOM 1528 CB ILE A 98 -8.834 7.309 1.032 1.00 0.00 C ATOM 1529 CG1 ILE A 98 -7.940 6.297 1.751 1.00 0.00 C ATOM 1530 CG2 ILE A 98 -8.020 8.504 0.560 1.00 0.00 C ATOM 1531 CD1 ILE A 98 -7.198 5.372 0.811 1.00 0.00 C ATOM 0 H ILE A 98 -10.204 9.386 0.643 1.00 0.00 H new ATOM 0 HA ILE A 98 -10.695 6.958 2.066 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.269 6.824 0.158 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.217 6.834 2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -8.552 5.700 2.428 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.218 8.162 -0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.666 9.191 0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.592 9.016 1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.584 4.682 1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.915 4.808 0.215 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.560 5.959 0.151 1.00 0.00 H new ATOM 1543 N VAL A 99 -9.105 9.394 3.535 1.00 0.00 N ATOM 1544 CA VAL A 99 -8.548 9.856 4.801 1.00 0.00 C ATOM 1545 C VAL A 99 -9.479 10.854 5.480 1.00 0.00 C ATOM 1546 O VAL A 99 -10.533 11.197 4.945 1.00 0.00 O ATOM 1547 CB VAL A 99 -7.169 10.512 4.602 1.00 0.00 C ATOM 1548 CG1 VAL A 99 -6.339 10.408 5.872 1.00 0.00 C ATOM 1549 CG2 VAL A 99 -6.441 9.875 3.427 1.00 0.00 C ATOM 0 H VAL A 99 -9.247 10.130 2.843 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.436 8.977 5.436 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.318 11.569 4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.368 10.877 5.712 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.856 10.914 6.687 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.197 9.358 6.129 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.468 10.351 3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.303 8.811 3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.030 10.007 2.519 1.00 0.00 H new ATOM 1559 N GLU A 100 -9.083 11.315 6.662 1.00 0.00 N ATOM 1560 CA GLU A 100 -9.884 12.274 7.415 1.00 0.00 C ATOM 1561 C GLU A 100 -10.551 13.278 6.479 1.00 0.00 C ATOM 1562 O GLU A 100 -11.653 13.756 6.748 1.00 0.00 O ATOM 1563 CB GLU A 100 -9.012 13.011 8.434 1.00 0.00 C ATOM 1564 CG GLU A 100 -8.004 13.957 7.802 1.00 0.00 C ATOM 1565 CD GLU A 100 -6.832 14.256 8.716 1.00 0.00 C ATOM 1566 OE1 GLU A 100 -7.065 14.499 9.919 1.00 0.00 O ATOM 1567 OE2 GLU A 100 -5.683 14.248 8.229 1.00 0.00 O ATOM 0 H GLU A 100 -8.213 11.041 7.119 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.662 11.724 7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.655 13.577 9.108 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.479 12.279 9.041 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.634 13.521 6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.502 14.890 7.539 1.00 0.00 H new ATOM 1574 N GLY A 101 -9.874 13.594 5.379 1.00 0.00 N ATOM 1575 CA GLY A 101 -10.416 14.540 4.421 1.00 0.00 C ATOM 1576 C GLY A 101 -9.541 14.685 3.192 1.00 0.00 C ATOM 1577 O GLY A 101 -9.108 15.788 2.857 1.00 0.00 O ATOM 0 H GLY A 101 -8.960 13.212 5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.412 14.216 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.529 15.513 4.900 1.00 0.00 H new ATOM 1581 N TYR A 102 -9.279 13.570 2.519 1.00 0.00 N ATOM 1582 CA TYR A 102 -8.446 13.578 1.322 1.00 0.00 C ATOM 1583 C TYR A 102 -9.002 12.629 0.265 1.00 0.00 C ATOM 1584 O TYR A 102 -9.645 11.630 0.588 1.00 0.00 O ATOM 1585 CB TYR A 102 -7.010 13.184 1.672 1.00 0.00 C ATOM 1586 CG TYR A 102 -6.223 14.290 2.338 1.00 0.00 C ATOM 1587 CD1 TYR A 102 -6.539 14.718 3.622 1.00 0.00 C ATOM 1588 CD2 TYR A 102 -5.164 14.907 1.684 1.00 0.00 C ATOM 1589 CE1 TYR A 102 -5.823 15.729 4.233 1.00 0.00 C ATOM 1590 CE2 TYR A 102 -4.442 15.917 2.288 1.00 0.00 C ATOM 1591 CZ TYR A 102 -4.776 16.325 3.563 1.00 0.00 C ATOM 1592 OH TYR A 102 -4.060 17.332 4.169 1.00 0.00 O ATOM 0 H TYR A 102 -9.631 12.650 2.782 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.450 14.589 0.915 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.031 12.317 2.332 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.494 12.880 0.762 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -7.358 14.253 4.151 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -4.901 14.591 0.685 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -6.082 16.051 5.231 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.621 16.385 1.766 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.255 17.340 5.129 1.00 0.00 H new ATOM 1602 N TYR A 103 -8.750 12.949 -0.999 1.00 0.00 N ATOM 1603 CA TYR A 103 -9.226 12.127 -2.106 1.00 0.00 C ATOM 1604 C TYR A 103 -8.058 11.574 -2.915 1.00 0.00 C ATOM 1605 O TYR A 103 -6.907 11.967 -2.716 1.00 0.00 O ATOM 1606 CB TYR A 103 -10.149 12.942 -3.013 1.00 0.00 C ATOM 1607 CG TYR A 103 -11.499 13.234 -2.398 1.00 0.00 C ATOM 1608 CD1 TYR A 103 -12.410 12.213 -2.154 1.00 0.00 C ATOM 1609 CD2 TYR A 103 -11.864 14.532 -2.059 1.00 0.00 C ATOM 1610 CE1 TYR A 103 -13.644 12.476 -1.593 1.00 0.00 C ATOM 1611 CE2 TYR A 103 -13.096 14.803 -1.496 1.00 0.00 C ATOM 1612 CZ TYR A 103 -13.983 13.772 -1.266 1.00 0.00 C ATOM 1613 OH TYR A 103 -15.211 14.037 -0.705 1.00 0.00 O ATOM 0 H TYR A 103 -8.219 13.772 -1.283 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.784 11.289 -1.689 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -9.661 13.884 -3.261 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.294 12.402 -3.949 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -12.148 11.196 -2.408 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -11.173 15.342 -2.239 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -14.340 11.671 -1.411 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -13.363 15.817 -1.237 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.292 14.999 -0.534 1.00 0.00 H new ATOM 1623 N LEU A 104 -8.361 10.660 -3.830 1.00 0.00 N ATOM 1624 CA LEU A 104 -7.338 10.051 -4.673 1.00 0.00 C ATOM 1625 C LEU A 104 -7.418 10.585 -6.099 1.00 0.00 C ATOM 1626 O LEU A 104 -8.249 10.144 -6.893 1.00 0.00 O ATOM 1627 CB LEU A 104 -7.491 8.529 -4.676 1.00 0.00 C ATOM 1628 CG LEU A 104 -7.247 7.826 -3.341 1.00 0.00 C ATOM 1629 CD1 LEU A 104 -7.705 6.378 -3.408 1.00 0.00 C ATOM 1630 CD2 LEU A 104 -5.776 7.905 -2.958 1.00 0.00 C ATOM 0 H LEU A 104 -9.308 10.324 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.362 10.311 -4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.499 8.286 -5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.801 8.116 -5.412 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.830 8.334 -2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.523 5.894 -2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.770 6.344 -3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.150 5.857 -4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.621 7.399 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.173 7.422 -3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.479 8.950 -2.867 1.00 0.00 H new ATOM 1642 N LYS A 105 -6.548 11.537 -6.419 1.00 0.00 N ATOM 1643 CA LYS A 105 -6.516 12.130 -7.750 1.00 0.00 C ATOM 1644 C LYS A 105 -6.038 11.117 -8.786 1.00 0.00 C ATOM 1645 O LYS A 105 -6.808 10.680 -9.640 1.00 0.00 O ATOM 1646 CB LYS A 105 -5.603 13.358 -7.763 1.00 0.00 C ATOM 1647 CG LYS A 105 -6.241 14.596 -7.157 1.00 0.00 C ATOM 1648 CD LYS A 105 -7.107 15.329 -8.168 1.00 0.00 C ATOM 1649 CE LYS A 105 -7.366 16.766 -7.743 1.00 0.00 C ATOM 1650 NZ LYS A 105 -6.119 17.580 -7.753 1.00 0.00 N ATOM 0 H LYS A 105 -5.855 11.915 -5.773 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.530 12.436 -8.008 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.689 13.126 -7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.314 13.575 -8.791 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.847 14.310 -6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.463 15.265 -6.790 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.618 15.319 -9.142 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.056 14.806 -8.283 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.099 17.216 -8.412 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.799 16.777 -6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -6.362 18.587 -7.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.599 17.430 -6.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.523 17.292 -8.555 1.00 0.00 H new ATOM 1664 N GLU A 106 -4.763 10.748 -8.701 1.00 0.00 N ATOM 1665 CA GLU A 106 -4.184 9.786 -9.632 1.00 0.00 C ATOM 1666 C GLU A 106 -3.052 9.005 -8.972 1.00 0.00 C ATOM 1667 O GLU A 106 -2.275 9.539 -8.180 1.00 0.00 O ATOM 1668 CB GLU A 106 -3.665 10.501 -10.881 1.00 0.00 C ATOM 1669 CG GLU A 106 -4.714 11.353 -11.576 1.00 0.00 C ATOM 1670 CD GLU A 106 -4.393 11.597 -13.037 1.00 0.00 C ATOM 1671 OE1 GLU A 106 -4.756 10.746 -13.875 1.00 0.00 O ATOM 1672 OE2 GLU A 106 -3.779 12.641 -13.342 1.00 0.00 O ATOM 0 H GLU A 106 -4.113 11.100 -7.998 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.965 9.084 -9.923 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.822 11.133 -10.603 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.288 9.758 -11.584 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.684 10.863 -11.498 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -4.798 12.310 -11.062 1.00 0.00 H new ATOM 1679 N PRO A 107 -2.955 7.709 -9.304 1.00 0.00 N ATOM 1680 CA PRO A 107 -1.922 6.826 -8.755 1.00 0.00 C ATOM 1681 C PRO A 107 -0.531 7.165 -9.280 1.00 0.00 C ATOM 1682 O PRO A 107 -0.384 7.954 -10.213 1.00 0.00 O ATOM 1683 CB PRO A 107 -2.351 5.437 -9.235 1.00 0.00 C ATOM 1684 CG PRO A 107 -3.152 5.692 -10.465 1.00 0.00 C ATOM 1685 CD PRO A 107 -3.847 7.006 -10.241 1.00 0.00 C ATOM 0 HA PRO A 107 -1.846 6.913 -7.671 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -1.487 4.808 -9.449 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -2.942 4.921 -8.478 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -2.512 5.734 -11.346 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -3.874 4.893 -10.634 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -3.969 7.560 -11.172 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.843 6.867 -9.820 1.00 0.00 H new ATOM 1693 N VAL A 108 0.488 6.563 -8.675 1.00 0.00 N ATOM 1694 CA VAL A 108 1.867 6.800 -9.083 1.00 0.00 C ATOM 1695 C VAL A 108 2.242 5.936 -10.282 1.00 0.00 C ATOM 1696 O VAL A 108 1.984 4.733 -10.316 1.00 0.00 O ATOM 1697 CB VAL A 108 2.850 6.515 -7.931 1.00 0.00 C ATOM 1698 CG1 VAL A 108 4.275 6.842 -8.352 1.00 0.00 C ATOM 1699 CG2 VAL A 108 2.458 7.302 -6.690 1.00 0.00 C ATOM 0 H VAL A 108 0.384 5.907 -7.900 1.00 0.00 H new ATOM 0 HA VAL A 108 1.939 7.852 -9.360 1.00 0.00 H new ATOM 0 HB VAL A 108 2.803 5.453 -7.690 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.955 6.635 -7.526 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.550 6.230 -9.211 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.342 7.896 -8.621 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.163 7.089 -5.886 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.476 8.368 -6.915 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.454 7.014 -6.378 1.00 0.00 H new ATOM 1709 N PRO A 109 2.867 6.563 -11.290 1.00 0.00 N ATOM 1710 CA PRO A 109 3.292 5.870 -12.510 1.00 0.00 C ATOM 1711 C PRO A 109 4.451 4.911 -12.258 1.00 0.00 C ATOM 1712 O PRO A 109 5.203 5.070 -11.297 1.00 0.00 O ATOM 1713 CB PRO A 109 3.733 7.011 -13.430 1.00 0.00 C ATOM 1714 CG PRO A 109 4.117 8.115 -12.507 1.00 0.00 C ATOM 1715 CD PRO A 109 3.207 7.995 -11.316 1.00 0.00 C ATOM 0 HA PRO A 109 2.497 5.252 -12.926 1.00 0.00 H new ATOM 0 HB2 PRO A 109 4.571 6.711 -14.059 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.927 7.315 -14.098 1.00 0.00 H new ATOM 0 HG2 PRO A 109 5.162 8.029 -12.210 1.00 0.00 H new ATOM 0 HG3 PRO A 109 4.002 9.085 -12.990 1.00 0.00 H new ATOM 0 HD2 PRO A 109 3.704 8.307 -10.397 1.00 0.00 H new ATOM 0 HD3 PRO A 109 2.319 8.617 -11.425 1.00 0.00 H new ATOM 1723 N MET A 110 4.588 3.915 -13.127 1.00 0.00 N ATOM 1724 CA MET A 110 5.657 2.931 -12.999 1.00 0.00 C ATOM 1725 C MET A 110 6.751 3.179 -14.033 1.00 0.00 C ATOM 1726 O MET A 110 6.471 3.591 -15.158 1.00 0.00 O ATOM 1727 CB MET A 110 5.098 1.516 -13.160 1.00 0.00 C ATOM 1728 CG MET A 110 4.080 1.388 -14.282 1.00 0.00 C ATOM 1729 SD MET A 110 4.067 -0.255 -15.024 1.00 0.00 S ATOM 1730 CE MET A 110 4.492 0.136 -16.720 1.00 0.00 C ATOM 0 H MET A 110 3.973 3.768 -13.927 1.00 0.00 H new ATOM 0 HA MET A 110 6.092 3.031 -12.005 1.00 0.00 H new ATOM 0 HB2 MET A 110 5.922 0.828 -13.348 1.00 0.00 H new ATOM 0 HB3 MET A 110 4.634 1.209 -12.223 1.00 0.00 H new ATOM 0 HG2 MET A 110 3.087 1.615 -13.894 1.00 0.00 H new ATOM 0 HG3 MET A 110 4.298 2.128 -15.052 1.00 0.00 H new ATOM 0 HE1 MET A 110 4.524 -0.781 -17.308 1.00 0.00 H new ATOM 0 HE2 MET A 110 3.742 0.808 -17.137 1.00 0.00 H new ATOM 0 HE3 MET A 110 5.469 0.619 -16.748 1.00 0.00 H new