USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=25 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 97 GLN : amide:sc= -0.0555 X(o=-0.056,f=0) USER MOD Set 1.2: A 103 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 83 TYR OH : rot 131:sc= 1.08 USER MOD Set 2.2: A 92 HIS : no HD1:sc= 0.891 K(o=2,f=-2.1) USER MOD Set 3.1: A 67 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.122) USER MOD Set 3.2: A 69 CYS SG : rot -36:sc= 0.326 USER MOD Set 4.1: A 60 ASN : amide:sc= 0.561 K(o=1.1,f=-1.1!) USER MOD Set 4.2: A 102 TYR OH : rot -125:sc= 0.558 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.0074) USER MOD Single : A 22 LYS NZ :NH3+ -118:sc= -1.32 (180deg=-1.76) 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 K(o=0,f=-0.89) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl 163:sc= -5.19! (180deg=-7.47!) USER MOD Single : A 34 THR OG1 : rot -62:sc= 1.3 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -65:sc= 0.00253 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 32:sc= 0.951 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -72:sc= 1.3 USER MOD Single : A 62 ASN : amide:sc= -0.0634 X(o=-0.063,f=-0.12) USER MOD Single : A 64 GLN : amide:sc= -0.205 X(o=-0.21,f=-0.078) USER MOD Single : A 71 THR OG1 : rot -50:sc= 0.397 USER MOD Single : A 73 ASN :FLIP amide:sc= 0.71 F(o=-0.69,f=0.71) USER MOD Single : A 74 ASN : amide:sc= -0.3 K(o=-0.3,f=-1.1) USER MOD Single : A 75 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.4!) USER MOD Single : A 77 MET CE :methyl 164:sc= -0.0228 (180deg=-0.462) USER MOD Single : A 78 MET CE :methyl 165:sc= -0.145 (180deg=-0.342) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0571 USER MOD Single : A 93 TYR OH : rot -148:sc= 1.44 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl -145:sc= -0.717 (180deg=-3.05!) USER MOD ----------------------------------------------------------------- ATOM 185 N LYS A 16 -0.166 -3.090 -13.089 1.00 0.00 N ATOM 186 CA LYS A 16 -1.014 -1.916 -12.921 1.00 0.00 C ATOM 187 C LYS A 16 -0.175 -0.673 -12.646 1.00 0.00 C ATOM 188 O LYS A 16 0.946 -0.767 -12.147 1.00 0.00 O ATOM 189 CB LYS A 16 -2.006 -2.138 -11.776 1.00 0.00 C ATOM 190 CG LYS A 16 -2.601 -3.536 -11.749 1.00 0.00 C ATOM 191 CD LYS A 16 -3.718 -3.686 -12.768 1.00 0.00 C ATOM 192 CE LYS A 16 -5.029 -3.118 -12.245 1.00 0.00 C ATOM 193 NZ LYS A 16 -6.140 -3.303 -13.219 1.00 0.00 N ATOM 0 HA LYS A 16 -1.566 -1.762 -13.848 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.502 -1.948 -10.828 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.813 -1.410 -11.859 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.820 -4.269 -11.953 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.986 -3.750 -10.752 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.441 -3.176 -13.691 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.849 -4.740 -13.014 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.286 -3.604 -11.304 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.906 -2.056 -12.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.016 -2.903 -12.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.906 -2.818 -14.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.275 -4.318 -13.403 1.00 0.00 H new ATOM 207 N ILE A 17 -0.726 0.491 -12.974 1.00 0.00 N ATOM 208 CA ILE A 17 -0.028 1.753 -12.760 1.00 0.00 C ATOM 209 C ILE A 17 0.128 2.050 -11.273 1.00 0.00 C ATOM 210 O ILE A 17 1.136 2.611 -10.844 1.00 0.00 O ATOM 211 CB ILE A 17 -0.767 2.926 -13.431 1.00 0.00 C ATOM 212 CG1 ILE A 17 0.090 4.193 -13.381 1.00 0.00 C ATOM 213 CG2 ILE A 17 -2.110 3.161 -12.756 1.00 0.00 C ATOM 214 CD1 ILE A 17 0.986 4.363 -14.588 1.00 0.00 C ATOM 0 H ILE A 17 -1.653 0.586 -13.389 1.00 0.00 H new ATOM 0 HA ILE A 17 0.958 1.648 -13.213 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.947 2.673 -14.476 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.564 5.061 -13.298 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.705 4.171 -12.482 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.620 3.993 -13.241 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.721 2.262 -12.839 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.952 3.396 -11.704 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.564 5.281 -14.485 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.664 3.513 -14.660 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.376 4.417 -15.489 1.00 0.00 H new ATOM 226 N TRP A 18 -0.875 1.667 -10.491 1.00 0.00 N ATOM 227 CA TRP A 18 -0.848 1.890 -9.050 1.00 0.00 C ATOM 228 C TRP A 18 -0.066 0.788 -8.342 1.00 0.00 C ATOM 229 O TRP A 18 0.567 1.026 -7.314 1.00 0.00 O ATOM 230 CB TRP A 18 -2.273 1.957 -8.497 1.00 0.00 C ATOM 231 CG TRP A 18 -3.117 0.781 -8.885 1.00 0.00 C ATOM 232 CD1 TRP A 18 -3.984 0.706 -9.937 1.00 0.00 C ATOM 233 CD2 TRP A 18 -3.174 -0.488 -8.225 1.00 0.00 C ATOM 234 NE1 TRP A 18 -4.578 -0.532 -9.971 1.00 0.00 N ATOM 235 CE2 TRP A 18 -4.097 -1.284 -8.931 1.00 0.00 C ATOM 236 CE3 TRP A 18 -2.534 -1.030 -7.107 1.00 0.00 C ATOM 237 CZ2 TRP A 18 -4.394 -2.591 -8.554 1.00 0.00 C ATOM 238 CZ3 TRP A 18 -2.831 -2.327 -6.734 1.00 0.00 C ATOM 239 CH2 TRP A 18 -3.753 -3.096 -7.456 1.00 0.00 C ATOM 0 H TRP A 18 -1.716 1.201 -10.830 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.348 2.841 -8.864 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.230 2.021 -7.410 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -2.750 2.870 -8.852 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.175 1.504 -10.640 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.265 -0.841 -10.658 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.820 -0.446 -6.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.105 -3.185 -9.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.344 -2.755 -5.871 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -3.962 -4.107 -7.140 1.00 0.00 H new ATOM 250 N PHE A 19 -0.114 -0.417 -8.900 1.00 0.00 N ATOM 251 CA PHE A 19 0.589 -1.556 -8.322 1.00 0.00 C ATOM 252 C PHE A 19 2.096 -1.426 -8.527 1.00 0.00 C ATOM 253 O PHE A 19 2.552 -0.880 -9.533 1.00 0.00 O ATOM 254 CB PHE A 19 0.089 -2.861 -8.944 1.00 0.00 C ATOM 255 CG PHE A 19 0.738 -4.087 -8.368 1.00 0.00 C ATOM 256 CD1 PHE A 19 0.605 -4.390 -7.022 1.00 0.00 C ATOM 257 CD2 PHE A 19 1.481 -4.936 -9.172 1.00 0.00 C ATOM 258 CE1 PHE A 19 1.203 -5.517 -6.490 1.00 0.00 C ATOM 259 CE2 PHE A 19 2.080 -6.065 -8.645 1.00 0.00 C ATOM 260 CZ PHE A 19 1.940 -6.356 -7.302 1.00 0.00 C ATOM 0 H PHE A 19 -0.633 -0.630 -9.752 1.00 0.00 H new ATOM 0 HA PHE A 19 0.385 -1.571 -7.251 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.990 -2.931 -8.804 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.270 -2.835 -10.019 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.028 -3.739 -6.382 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.594 -4.713 -10.223 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.094 -5.741 -5.439 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.657 -6.719 -9.283 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.406 -7.238 -6.888 1.00 0.00 H new ATOM 270 N HIS A 20 2.864 -1.931 -7.567 1.00 0.00 N ATOM 271 CA HIS A 20 4.319 -1.872 -7.642 1.00 0.00 C ATOM 272 C HIS A 20 4.948 -3.075 -6.946 1.00 0.00 C ATOM 273 O HIS A 20 4.968 -3.153 -5.718 1.00 0.00 O ATOM 274 CB HIS A 20 4.831 -0.577 -7.011 1.00 0.00 C ATOM 275 CG HIS A 20 4.711 0.616 -7.908 1.00 0.00 C ATOM 276 ND1 HIS A 20 5.674 0.964 -8.831 1.00 0.00 N ATOM 277 CD2 HIS A 20 3.731 1.543 -8.022 1.00 0.00 C ATOM 278 CE1 HIS A 20 5.293 2.054 -9.473 1.00 0.00 C ATOM 279 NE2 HIS A 20 4.117 2.425 -9.001 1.00 0.00 N ATOM 0 H HIS A 20 2.503 -2.386 -6.728 1.00 0.00 H new ATOM 0 HA HIS A 20 4.605 -1.893 -8.694 1.00 0.00 H new ATOM 0 HB2 HIS A 20 4.277 -0.387 -6.092 1.00 0.00 H new ATOM 0 HB3 HIS A 20 5.877 -0.707 -6.732 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.816 1.582 -7.450 1.00 0.00 H new ATOM 0 HE1 HIS A 20 5.849 2.556 -10.251 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.582 3.235 -9.313 1.00 0.00 H new ATOM 287 N GLY A 21 5.460 -4.011 -7.739 1.00 0.00 N ATOM 288 CA GLY A 21 6.082 -5.197 -7.181 1.00 0.00 C ATOM 289 C GLY A 21 7.546 -5.316 -7.555 1.00 0.00 C ATOM 290 O GLY A 21 8.260 -6.174 -7.037 1.00 0.00 O ATOM 0 H GLY A 21 5.455 -3.969 -8.758 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.988 -5.176 -6.095 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.548 -6.081 -7.530 1.00 0.00 H new ATOM 294 N LYS A 22 7.995 -4.453 -8.461 1.00 0.00 N ATOM 295 CA LYS A 22 9.383 -4.464 -8.906 1.00 0.00 C ATOM 296 C LYS A 22 10.273 -3.696 -7.934 1.00 0.00 C ATOM 297 O LYS A 22 11.364 -4.147 -7.588 1.00 0.00 O ATOM 298 CB LYS A 22 9.496 -3.857 -10.306 1.00 0.00 C ATOM 299 CG LYS A 22 9.529 -2.338 -10.310 1.00 0.00 C ATOM 300 CD LYS A 22 9.480 -1.783 -11.723 1.00 0.00 C ATOM 301 CE LYS A 22 9.755 -0.287 -11.744 1.00 0.00 C ATOM 302 NZ LYS A 22 11.028 0.053 -11.050 1.00 0.00 N ATOM 0 H LYS A 22 7.417 -3.737 -8.901 1.00 0.00 H new ATOM 0 HA LYS A 22 9.720 -5.500 -8.937 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.401 -4.233 -10.784 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.653 -4.195 -10.909 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.685 -1.953 -9.738 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.435 -1.992 -9.813 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.214 -2.298 -12.343 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.501 -1.980 -12.159 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.801 0.059 -12.777 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.929 0.241 -11.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.826 0.667 -10.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.487 -0.820 -10.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.661 0.549 -11.709 1.00 0.00 H new ATOM 316 N ILE A 23 9.798 -2.534 -7.497 1.00 0.00 N ATOM 317 CA ILE A 23 10.549 -1.705 -6.563 1.00 0.00 C ATOM 318 C ILE A 23 10.551 -2.315 -5.165 1.00 0.00 C ATOM 319 O ILE A 23 10.033 -3.411 -4.955 1.00 0.00 O ATOM 320 CB ILE A 23 9.974 -0.278 -6.488 1.00 0.00 C ATOM 321 CG1 ILE A 23 8.601 -0.293 -5.814 1.00 0.00 C ATOM 322 CG2 ILE A 23 9.881 0.329 -7.880 1.00 0.00 C ATOM 323 CD1 ILE A 23 8.173 1.057 -5.284 1.00 0.00 C ATOM 0 H ILE A 23 8.897 -2.146 -7.775 1.00 0.00 H new ATOM 0 HA ILE A 23 11.572 -1.656 -6.937 1.00 0.00 H new ATOM 0 HB ILE A 23 10.645 0.338 -5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.858 -0.646 -6.529 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.617 -1.009 -4.992 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.473 1.337 -7.811 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.875 0.370 -8.326 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.229 -0.284 -8.502 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.191 0.971 -4.820 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.895 1.403 -4.544 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.124 1.772 -6.106 1.00 0.00 H new ATOM 335 N SER A 24 11.135 -1.595 -4.212 1.00 0.00 N ATOM 336 CA SER A 24 11.205 -2.066 -2.834 1.00 0.00 C ATOM 337 C SER A 24 10.508 -1.090 -1.890 1.00 0.00 C ATOM 338 O SER A 24 10.226 0.051 -2.256 1.00 0.00 O ATOM 339 CB SER A 24 12.663 -2.250 -2.409 1.00 0.00 C ATOM 340 OG SER A 24 12.759 -3.071 -1.259 1.00 0.00 O ATOM 0 H SER A 24 11.566 -0.684 -4.369 1.00 0.00 H new ATOM 0 HA SER A 24 10.693 -3.027 -2.778 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.230 -2.696 -3.226 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.111 -1.278 -2.204 1.00 0.00 H new ATOM 0 HG SER A 24 13.701 -3.175 -1.009 1.00 0.00 H new ATOM 346 N LYS A 25 10.233 -1.548 -0.674 1.00 0.00 N ATOM 347 CA LYS A 25 9.571 -0.717 0.325 1.00 0.00 C ATOM 348 C LYS A 25 10.224 0.659 0.409 1.00 0.00 C ATOM 349 O LYS A 25 9.575 1.678 0.180 1.00 0.00 O ATOM 350 CB LYS A 25 9.614 -1.398 1.695 1.00 0.00 C ATOM 351 CG LYS A 25 9.001 -0.566 2.808 1.00 0.00 C ATOM 352 CD LYS A 25 8.685 -1.414 4.029 1.00 0.00 C ATOM 353 CE LYS A 25 7.994 -0.598 5.110 1.00 0.00 C ATOM 354 NZ LYS A 25 7.630 -1.433 6.288 1.00 0.00 N ATOM 0 H LYS A 25 10.458 -2.491 -0.356 1.00 0.00 H new ATOM 0 HA LYS A 25 8.532 -0.588 0.022 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.089 -2.351 1.634 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.651 -1.621 1.948 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.688 0.233 3.087 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.089 -0.091 2.448 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.047 -2.249 3.738 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.606 -1.840 4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.650 0.212 5.428 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.095 -0.138 4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.161 -0.840 7.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.984 -2.191 5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.490 -1.852 6.696 1.00 0.00 H new ATOM 368 N GLN A 26 11.512 0.678 0.737 1.00 0.00 N ATOM 369 CA GLN A 26 12.253 1.929 0.849 1.00 0.00 C ATOM 370 C GLN A 26 11.972 2.837 -0.343 1.00 0.00 C ATOM 371 O GLN A 26 11.474 3.950 -0.183 1.00 0.00 O ATOM 372 CB GLN A 26 13.753 1.651 0.952 1.00 0.00 C ATOM 373 CG GLN A 26 14.573 2.869 1.347 1.00 0.00 C ATOM 374 CD GLN A 26 16.049 2.558 1.491 1.00 0.00 C ATOM 375 OE1 GLN A 26 16.472 1.412 1.334 1.00 0.00 O ATOM 376 NE2 GLN A 26 16.843 3.579 1.790 1.00 0.00 N ATOM 0 H GLN A 26 12.064 -0.158 0.930 1.00 0.00 H new ATOM 0 HA GLN A 26 11.923 2.437 1.755 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.918 0.860 1.683 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.111 1.278 -0.007 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.442 3.649 0.597 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.196 3.266 2.289 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.450 4.512 1.911 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.846 3.430 1.898 1.00 0.00 H new ATOM 385 N GLU A 27 12.297 2.353 -1.538 1.00 0.00 N ATOM 386 CA GLU A 27 12.080 3.123 -2.758 1.00 0.00 C ATOM 387 C GLU A 27 10.682 3.733 -2.775 1.00 0.00 C ATOM 388 O GLU A 27 10.512 4.913 -3.082 1.00 0.00 O ATOM 389 CB GLU A 27 12.276 2.236 -3.989 1.00 0.00 C ATOM 390 CG GLU A 27 13.713 2.186 -4.481 1.00 0.00 C ATOM 391 CD GLU A 27 14.684 1.743 -3.403 1.00 0.00 C ATOM 392 OE1 GLU A 27 14.911 0.521 -3.276 1.00 0.00 O ATOM 393 OE2 GLU A 27 15.215 2.617 -2.687 1.00 0.00 O ATOM 0 H GLU A 27 12.711 1.433 -1.687 1.00 0.00 H new ATOM 0 HA GLU A 27 12.811 3.931 -2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.946 1.224 -3.753 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.638 2.600 -4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.780 1.503 -5.328 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.003 3.172 -4.843 1.00 0.00 H new ATOM 400 N ALA A 28 9.684 2.921 -2.443 1.00 0.00 N ATOM 401 CA ALA A 28 8.301 3.380 -2.418 1.00 0.00 C ATOM 402 C ALA A 28 8.183 4.730 -1.718 1.00 0.00 C ATOM 403 O ALA A 28 7.510 5.638 -2.208 1.00 0.00 O ATOM 404 CB ALA A 28 7.414 2.350 -1.734 1.00 0.00 C ATOM 0 H ALA A 28 9.808 1.941 -2.187 1.00 0.00 H new ATOM 0 HA ALA A 28 7.967 3.503 -3.448 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.384 2.707 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.465 1.407 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.756 2.198 -0.710 1.00 0.00 H new ATOM 410 N TYR A 29 8.840 4.856 -0.571 1.00 0.00 N ATOM 411 CA TYR A 29 8.806 6.094 0.198 1.00 0.00 C ATOM 412 C TYR A 29 9.274 7.274 -0.649 1.00 0.00 C ATOM 413 O TYR A 29 8.661 8.340 -0.640 1.00 0.00 O ATOM 414 CB TYR A 29 9.681 5.968 1.446 1.00 0.00 C ATOM 415 CG TYR A 29 8.997 5.266 2.597 1.00 0.00 C ATOM 416 CD1 TYR A 29 8.060 5.928 3.382 1.00 0.00 C ATOM 417 CD2 TYR A 29 9.287 3.942 2.901 1.00 0.00 C ATOM 418 CE1 TYR A 29 7.433 5.291 4.435 1.00 0.00 C ATOM 419 CE2 TYR A 29 8.664 3.297 3.951 1.00 0.00 C ATOM 420 CZ TYR A 29 7.738 3.975 4.715 1.00 0.00 C ATOM 421 OH TYR A 29 7.116 3.337 5.763 1.00 0.00 O ATOM 0 H TYR A 29 9.403 4.115 -0.153 1.00 0.00 H new ATOM 0 HA TYR A 29 7.775 6.275 0.503 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.590 5.424 1.189 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.985 6.964 1.768 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.818 6.958 3.165 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.013 3.408 2.306 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.708 5.820 5.036 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.901 2.267 4.173 1.00 0.00 H new ATOM 0 HH TYR A 29 7.442 2.415 5.824 1.00 0.00 H new ATOM 431 N ASN A 30 10.366 7.073 -1.379 1.00 0.00 N ATOM 432 CA ASN A 30 10.919 8.119 -2.232 1.00 0.00 C ATOM 433 C ASN A 30 9.978 8.427 -3.393 1.00 0.00 C ATOM 434 O ASN A 30 9.712 9.590 -3.699 1.00 0.00 O ATOM 435 CB ASN A 30 12.288 7.698 -2.769 1.00 0.00 C ATOM 436 CG ASN A 30 12.935 8.778 -3.614 1.00 0.00 C ATOM 437 OD1 ASN A 30 13.179 9.888 -3.142 1.00 0.00 O ATOM 438 ND2 ASN A 30 13.214 8.457 -4.872 1.00 0.00 N ATOM 0 H ASN A 30 10.886 6.195 -1.397 1.00 0.00 H new ATOM 0 HA ASN A 30 11.034 9.021 -1.631 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.943 7.453 -1.933 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.179 6.792 -3.364 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.648 9.143 -5.489 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.994 7.524 -5.221 1.00 0.00 H new ATOM 445 N LEU A 31 9.476 7.378 -4.036 1.00 0.00 N ATOM 446 CA LEU A 31 8.564 7.536 -5.163 1.00 0.00 C ATOM 447 C LEU A 31 7.457 8.531 -4.832 1.00 0.00 C ATOM 448 O LEU A 31 7.347 9.586 -5.459 1.00 0.00 O ATOM 449 CB LEU A 31 7.955 6.185 -5.544 1.00 0.00 C ATOM 450 CG LEU A 31 8.807 5.296 -6.451 1.00 0.00 C ATOM 451 CD1 LEU A 31 8.370 3.844 -6.337 1.00 0.00 C ATOM 452 CD2 LEU A 31 8.721 5.770 -7.894 1.00 0.00 C ATOM 0 H LEU A 31 9.685 6.409 -3.796 1.00 0.00 H new ATOM 0 HA LEU A 31 9.133 7.923 -6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.740 5.635 -4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.001 6.366 -6.039 1.00 0.00 H new ATOM 0 HG LEU A 31 9.845 5.367 -6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.987 3.226 -6.989 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.484 3.510 -5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.325 3.754 -6.634 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.333 5.126 -8.526 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.685 5.728 -8.230 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.083 6.796 -7.962 1.00 0.00 H new ATOM 464 N LEU A 32 6.639 8.191 -3.842 1.00 0.00 N ATOM 465 CA LEU A 32 5.540 9.056 -3.426 1.00 0.00 C ATOM 466 C LEU A 32 6.064 10.396 -2.920 1.00 0.00 C ATOM 467 O LEU A 32 5.298 11.340 -2.727 1.00 0.00 O ATOM 468 CB LEU A 32 4.714 8.374 -2.334 1.00 0.00 C ATOM 469 CG LEU A 32 3.660 7.375 -2.814 1.00 0.00 C ATOM 470 CD1 LEU A 32 3.381 6.336 -1.740 1.00 0.00 C ATOM 471 CD2 LEU A 32 2.380 8.098 -3.206 1.00 0.00 C ATOM 0 H LEU A 32 6.716 7.323 -3.312 1.00 0.00 H new ATOM 0 HA LEU A 32 4.905 9.239 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.397 7.856 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.214 9.146 -1.749 1.00 0.00 H new ATOM 0 HG LEU A 32 4.047 6.862 -3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.629 5.634 -2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.299 5.797 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.015 6.831 -0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.641 7.372 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.989 8.638 -2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.592 8.803 -4.010 1.00 0.00 H new ATOM 483 N MET A 33 7.374 10.472 -2.711 1.00 0.00 N ATOM 484 CA MET A 33 8.001 11.699 -2.231 1.00 0.00 C ATOM 485 C MET A 33 8.526 12.532 -3.396 1.00 0.00 C ATOM 486 O MET A 33 8.853 13.709 -3.234 1.00 0.00 O ATOM 487 CB MET A 33 9.143 11.371 -1.268 1.00 0.00 C ATOM 488 CG MET A 33 8.706 11.278 0.184 1.00 0.00 C ATOM 489 SD MET A 33 8.784 12.865 1.036 1.00 0.00 S ATOM 490 CE MET A 33 7.437 13.741 0.245 1.00 0.00 C ATOM 0 H MET A 33 8.022 9.700 -2.866 1.00 0.00 H new ATOM 0 HA MET A 33 7.246 12.281 -1.702 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.596 10.425 -1.564 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.914 12.136 -1.358 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.686 10.896 0.229 1.00 0.00 H new ATOM 0 HG3 MET A 33 9.339 10.559 0.704 1.00 0.00 H new ATOM 0 HE1 MET A 33 7.159 14.604 0.850 1.00 0.00 H new ATOM 0 HE2 MET A 33 7.752 14.076 -0.743 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.579 13.076 0.146 1.00 0.00 H new ATOM 500 N THR A 34 8.605 11.916 -4.571 1.00 0.00 N ATOM 501 CA THR A 34 9.091 12.600 -5.763 1.00 0.00 C ATOM 502 C THR A 34 8.116 12.443 -6.924 1.00 0.00 C ATOM 503 O THR A 34 7.424 13.390 -7.299 1.00 0.00 O ATOM 504 CB THR A 34 10.472 12.069 -6.191 1.00 0.00 C ATOM 505 OG1 THR A 34 10.493 10.639 -6.112 1.00 0.00 O ATOM 506 CG2 THR A 34 11.571 12.647 -5.312 1.00 0.00 C ATOM 0 H THR A 34 8.338 10.943 -4.723 1.00 0.00 H new ATOM 0 HA THR A 34 9.179 13.656 -5.508 1.00 0.00 H new ATOM 0 HB THR A 34 10.652 12.378 -7.220 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.343 10.360 -5.185 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.537 12.257 -5.634 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.571 13.734 -5.397 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.393 12.365 -4.274 1.00 0.00 H new ATOM 514 N VAL A 35 8.066 11.241 -7.490 1.00 0.00 N ATOM 515 CA VAL A 35 7.173 10.960 -8.608 1.00 0.00 C ATOM 516 C VAL A 35 5.713 11.077 -8.188 1.00 0.00 C ATOM 517 O VAL A 35 4.832 11.289 -9.020 1.00 0.00 O ATOM 518 CB VAL A 35 7.420 9.552 -9.182 1.00 0.00 C ATOM 519 CG1 VAL A 35 8.886 9.370 -9.541 1.00 0.00 C ATOM 520 CG2 VAL A 35 6.969 8.487 -8.192 1.00 0.00 C ATOM 0 H VAL A 35 8.633 10.447 -7.193 1.00 0.00 H new ATOM 0 HA VAL A 35 7.386 11.701 -9.378 1.00 0.00 H new ATOM 0 HB VAL A 35 6.832 9.442 -10.093 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.040 8.369 -9.945 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.172 10.111 -10.288 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.498 9.499 -8.648 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.151 7.498 -8.613 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.529 8.594 -7.263 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.904 8.605 -7.990 1.00 0.00 H new ATOM 530 N GLY A 36 5.462 10.938 -6.890 1.00 0.00 N ATOM 531 CA GLY A 36 4.106 11.032 -6.381 1.00 0.00 C ATOM 532 C GLY A 36 3.869 12.307 -5.595 1.00 0.00 C ATOM 533 O GLY A 36 4.794 13.088 -5.374 1.00 0.00 O ATOM 0 H GLY A 36 6.174 10.762 -6.181 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.404 10.987 -7.214 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.900 10.172 -5.744 1.00 0.00 H new ATOM 537 N GLN A 37 2.626 12.517 -5.174 1.00 0.00 N ATOM 538 CA GLN A 37 2.270 13.707 -4.410 1.00 0.00 C ATOM 539 C GLN A 37 1.184 13.393 -3.387 1.00 0.00 C ATOM 540 O GLN A 37 0.779 12.241 -3.230 1.00 0.00 O ATOM 541 CB GLN A 37 1.798 14.819 -5.348 1.00 0.00 C ATOM 542 CG GLN A 37 0.990 14.313 -6.532 1.00 0.00 C ATOM 543 CD GLN A 37 0.728 15.392 -7.564 1.00 0.00 C ATOM 544 OE1 GLN A 37 0.446 16.541 -7.221 1.00 0.00 O ATOM 545 NE2 GLN A 37 0.820 15.029 -8.838 1.00 0.00 N ATOM 0 H GLN A 37 1.849 11.879 -5.349 1.00 0.00 H new ATOM 0 HA GLN A 37 3.159 14.044 -3.877 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.193 15.528 -4.782 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.666 15.364 -5.718 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.522 13.486 -7.003 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.039 13.918 -6.176 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.056 14.066 -9.078 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.655 15.713 -9.576 1.00 0.00 H new ATOM 554 N VAL A 38 0.716 14.425 -2.692 1.00 0.00 N ATOM 555 CA VAL A 38 -0.325 14.259 -1.684 1.00 0.00 C ATOM 556 C VAL A 38 -1.640 13.821 -2.319 1.00 0.00 C ATOM 557 O VAL A 38 -2.620 13.557 -1.621 1.00 0.00 O ATOM 558 CB VAL A 38 -0.556 15.562 -0.897 1.00 0.00 C ATOM 559 CG1 VAL A 38 -1.542 15.333 0.238 1.00 0.00 C ATOM 560 CG2 VAL A 38 0.762 16.106 -0.368 1.00 0.00 C ATOM 0 H VAL A 38 1.041 15.385 -2.808 1.00 0.00 H new ATOM 0 HA VAL A 38 0.019 13.485 -0.998 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.983 16.303 -1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.693 16.265 0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.494 14.993 -0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.147 14.576 0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.579 17.027 0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.220 15.370 0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.432 16.311 -1.203 1.00 0.00 H new ATOM 570 N CYS A 39 -1.654 13.745 -3.645 1.00 0.00 N ATOM 571 CA CYS A 39 -2.850 13.339 -4.375 1.00 0.00 C ATOM 572 C CYS A 39 -2.584 12.082 -5.197 1.00 0.00 C ATOM 573 O CYS A 39 -3.189 11.876 -6.249 1.00 0.00 O ATOM 574 CB CYS A 39 -3.323 14.470 -5.289 1.00 0.00 C ATOM 575 SG CYS A 39 -3.567 16.049 -4.444 1.00 0.00 S ATOM 0 H CYS A 39 -0.851 13.959 -4.237 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.632 13.118 -3.649 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.594 14.606 -6.087 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.260 14.174 -5.760 1.00 0.00 H new ATOM 0 HG CYS A 39 -3.965 16.943 -5.300 1.00 0.00 H new ATOM 581 N SER A 40 -1.674 11.244 -4.710 1.00 0.00 N ATOM 582 CA SER A 40 -1.324 10.009 -5.402 1.00 0.00 C ATOM 583 C SER A 40 -0.987 8.904 -4.405 1.00 0.00 C ATOM 584 O SER A 40 -0.417 9.162 -3.344 1.00 0.00 O ATOM 585 CB SER A 40 -0.139 10.244 -6.340 1.00 0.00 C ATOM 586 OG SER A 40 -0.364 11.366 -7.175 1.00 0.00 O ATOM 0 H SER A 40 -1.166 11.398 -3.839 1.00 0.00 H new ATOM 0 HA SER A 40 -2.186 9.694 -5.989 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.767 10.399 -5.754 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.025 9.358 -6.953 1.00 0.00 H new ATOM 0 HG SER A 40 -1.116 11.181 -7.776 1.00 0.00 H new ATOM 592 N PHE A 41 -1.345 7.672 -4.753 1.00 0.00 N ATOM 593 CA PHE A 41 -1.082 6.527 -3.889 1.00 0.00 C ATOM 594 C PHE A 41 -0.469 5.377 -4.683 1.00 0.00 C ATOM 595 O PHE A 41 -0.363 5.440 -5.908 1.00 0.00 O ATOM 596 CB PHE A 41 -2.374 6.064 -3.214 1.00 0.00 C ATOM 597 CG PHE A 41 -3.301 5.324 -4.136 1.00 0.00 C ATOM 598 CD1 PHE A 41 -3.906 5.974 -5.199 1.00 0.00 C ATOM 599 CD2 PHE A 41 -3.566 3.978 -3.939 1.00 0.00 C ATOM 600 CE1 PHE A 41 -4.759 5.295 -6.048 1.00 0.00 C ATOM 601 CE2 PHE A 41 -4.418 3.294 -4.786 1.00 0.00 C ATOM 602 CZ PHE A 41 -5.015 3.954 -5.842 1.00 0.00 C ATOM 0 H PHE A 41 -1.818 7.441 -5.627 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.371 6.836 -3.123 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.123 5.420 -2.371 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.894 6.932 -2.809 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.709 7.023 -5.366 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.102 3.458 -3.114 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.225 5.813 -6.873 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.616 2.245 -4.622 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.681 3.422 -6.505 1.00 0.00 H new ATOM 612 N LEU A 42 -0.066 4.327 -3.975 1.00 0.00 N ATOM 613 CA LEU A 42 0.538 3.162 -4.612 1.00 0.00 C ATOM 614 C LEU A 42 0.457 1.941 -3.701 1.00 0.00 C ATOM 615 O LEU A 42 0.674 2.038 -2.494 1.00 0.00 O ATOM 616 CB LEU A 42 1.997 3.450 -4.970 1.00 0.00 C ATOM 617 CG LEU A 42 3.019 3.217 -3.857 1.00 0.00 C ATOM 618 CD1 LEU A 42 3.372 1.741 -3.756 1.00 0.00 C ATOM 619 CD2 LEU A 42 4.269 4.051 -4.098 1.00 0.00 C ATOM 0 H LEU A 42 -0.147 4.259 -2.960 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.018 2.949 -5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.270 2.829 -5.823 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.073 4.488 -5.294 1.00 0.00 H new ATOM 0 HG LEU A 42 2.575 3.528 -2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.101 1.595 -2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.473 1.166 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.796 1.403 -4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.986 3.873 -3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.715 3.771 -5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.003 5.108 -4.118 1.00 0.00 H new ATOM 631 N VAL A 43 0.144 0.790 -4.289 1.00 0.00 N ATOM 632 CA VAL A 43 0.038 -0.451 -3.532 1.00 0.00 C ATOM 633 C VAL A 43 1.327 -1.261 -3.621 1.00 0.00 C ATOM 634 O VAL A 43 2.031 -1.218 -4.630 1.00 0.00 O ATOM 635 CB VAL A 43 -1.134 -1.316 -4.032 1.00 0.00 C ATOM 636 CG1 VAL A 43 -1.184 -2.636 -3.279 1.00 0.00 C ATOM 637 CG2 VAL A 43 -2.449 -0.563 -3.893 1.00 0.00 C ATOM 0 H VAL A 43 -0.040 0.692 -5.287 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.143 -0.173 -2.494 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.976 -1.534 -5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.019 -3.233 -3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.252 -3.180 -3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.317 -2.443 -2.215 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.266 -1.189 -4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.616 -0.312 -2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.408 0.353 -4.483 1.00 0.00 H new ATOM 647 N ARG A 44 1.629 -2.000 -2.558 1.00 0.00 N ATOM 648 CA ARG A 44 2.834 -2.820 -2.516 1.00 0.00 C ATOM 649 C ARG A 44 2.637 -4.029 -1.606 1.00 0.00 C ATOM 650 O ARG A 44 2.039 -3.939 -0.533 1.00 0.00 O ATOM 651 CB ARG A 44 4.024 -1.991 -2.029 1.00 0.00 C ATOM 652 CG ARG A 44 5.055 -2.799 -1.258 1.00 0.00 C ATOM 653 CD ARG A 44 6.443 -2.192 -1.380 1.00 0.00 C ATOM 654 NE ARG A 44 7.491 -3.146 -1.025 1.00 0.00 N ATOM 655 CZ ARG A 44 7.848 -4.166 -1.797 1.00 0.00 C ATOM 656 NH1 ARG A 44 7.244 -4.364 -2.961 1.00 0.00 N ATOM 657 NH2 ARG A 44 8.810 -4.991 -1.405 1.00 0.00 N ATOM 0 H ARG A 44 1.056 -2.048 -1.715 1.00 0.00 H new ATOM 0 HA ARG A 44 3.037 -3.176 -3.526 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.508 -1.526 -2.888 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.658 -1.184 -1.394 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.769 -2.848 -0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.070 -3.823 -1.632 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.599 -1.846 -2.402 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.514 -1.318 -0.733 1.00 0.00 H new ATOM 0 HE ARG A 44 7.975 -3.022 -0.136 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.503 -3.732 -3.265 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.520 -5.148 -3.552 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.276 -4.842 -0.510 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.084 -5.774 -1.999 1.00 0.00 H new ATOM 671 N PRO A 45 3.151 -5.189 -2.042 1.00 0.00 N ATOM 672 CA PRO A 45 3.044 -6.438 -1.283 1.00 0.00 C ATOM 673 C PRO A 45 3.897 -6.423 -0.019 1.00 0.00 C ATOM 674 O PRO A 45 5.099 -6.164 -0.074 1.00 0.00 O ATOM 675 CB PRO A 45 3.559 -7.494 -2.263 1.00 0.00 C ATOM 676 CG PRO A 45 4.462 -6.749 -3.184 1.00 0.00 C ATOM 677 CD PRO A 45 3.876 -5.369 -3.311 1.00 0.00 C ATOM 0 HA PRO A 45 2.026 -6.619 -0.937 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.093 -8.289 -1.743 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.739 -7.963 -2.807 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.476 -6.707 -2.787 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.520 -7.240 -4.156 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.651 -4.614 -3.442 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.209 -5.293 -4.169 1.00 0.00 H new ATOM 685 N SER A 46 3.268 -6.702 1.118 1.00 0.00 N ATOM 686 CA SER A 46 3.970 -6.717 2.396 1.00 0.00 C ATOM 687 C SER A 46 5.128 -7.709 2.368 1.00 0.00 C ATOM 688 O SER A 46 5.416 -8.316 1.336 1.00 0.00 O ATOM 689 CB SER A 46 3.004 -7.074 3.528 1.00 0.00 C ATOM 690 OG SER A 46 3.487 -6.610 4.776 1.00 0.00 O ATOM 0 H SER A 46 2.274 -6.921 1.180 1.00 0.00 H new ATOM 0 HA SER A 46 4.373 -5.720 2.573 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.026 -6.636 3.327 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.867 -8.155 3.566 1.00 0.00 H new ATOM 0 HG SER A 46 2.851 -6.849 5.482 1.00 0.00 H new ATOM 757 N ASP A 52 0.285 -10.293 3.135 1.00 0.00 N ATOM 758 CA ASP A 52 -0.612 -9.159 3.325 1.00 0.00 C ATOM 759 C ASP A 52 -0.199 -7.985 2.442 1.00 0.00 C ATOM 760 O ASP A 52 0.904 -7.965 1.895 1.00 0.00 O ATOM 761 CB ASP A 52 -0.623 -8.730 4.793 1.00 0.00 C ATOM 762 CG ASP A 52 -1.958 -8.147 5.216 1.00 0.00 C ATOM 763 OD1 ASP A 52 -2.993 -8.801 4.974 1.00 0.00 O ATOM 764 OD2 ASP A 52 -1.966 -7.037 5.788 1.00 0.00 O ATOM 0 HA ASP A 52 -1.616 -9.470 3.038 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.390 -9.589 5.421 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.162 -7.992 4.959 1.00 0.00 H new ATOM 769 N TYR A 53 -1.090 -7.010 2.308 1.00 0.00 N ATOM 770 CA TYR A 53 -0.819 -5.834 1.489 1.00 0.00 C ATOM 771 C TYR A 53 -0.861 -4.562 2.331 1.00 0.00 C ATOM 772 O TYR A 53 -1.240 -4.591 3.502 1.00 0.00 O ATOM 773 CB TYR A 53 -1.833 -5.737 0.348 1.00 0.00 C ATOM 774 CG TYR A 53 -1.614 -6.758 -0.745 1.00 0.00 C ATOM 775 CD1 TYR A 53 -2.056 -8.067 -0.600 1.00 0.00 C ATOM 776 CD2 TYR A 53 -0.966 -6.413 -1.925 1.00 0.00 C ATOM 777 CE1 TYR A 53 -1.857 -9.003 -1.596 1.00 0.00 C ATOM 778 CE2 TYR A 53 -0.764 -7.342 -2.927 1.00 0.00 C ATOM 779 CZ TYR A 53 -1.211 -8.635 -2.758 1.00 0.00 C ATOM 780 OH TYR A 53 -1.012 -9.565 -3.753 1.00 0.00 O ATOM 0 H TYR A 53 -2.006 -7.010 2.756 1.00 0.00 H new ATOM 0 HA TYR A 53 0.182 -5.938 1.070 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.837 -5.861 0.754 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.786 -4.738 -0.085 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.564 -8.358 0.307 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.614 -5.401 -2.061 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.205 -10.017 -1.466 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.259 -7.057 -3.838 1.00 0.00 H new ATOM 0 HH TYR A 53 -0.544 -9.145 -4.504 1.00 0.00 H new ATOM 790 N SER A 54 -0.468 -3.446 1.725 1.00 0.00 N ATOM 791 CA SER A 54 -0.457 -2.164 2.419 1.00 0.00 C ATOM 792 C SER A 54 -0.384 -1.009 1.424 1.00 0.00 C ATOM 793 O SER A 54 0.503 -0.964 0.570 1.00 0.00 O ATOM 794 CB SER A 54 0.727 -2.093 3.386 1.00 0.00 C ATOM 795 OG SER A 54 0.393 -2.657 4.642 1.00 0.00 O ATOM 0 H SER A 54 -0.153 -3.404 0.756 1.00 0.00 H new ATOM 0 HA SER A 54 -1.385 -2.077 2.984 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.580 -2.622 2.961 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.030 -1.055 3.519 1.00 0.00 H new ATOM 0 HG SER A 54 -0.255 -3.381 4.514 1.00 0.00 H new ATOM 801 N LEU A 55 -1.324 -0.077 1.540 1.00 0.00 N ATOM 802 CA LEU A 55 -1.368 1.079 0.652 1.00 0.00 C ATOM 803 C LEU A 55 -0.471 2.199 1.170 1.00 0.00 C ATOM 804 O LEU A 55 -0.300 2.362 2.378 1.00 0.00 O ATOM 805 CB LEU A 55 -2.805 1.585 0.512 1.00 0.00 C ATOM 806 CG LEU A 55 -3.088 2.478 -0.697 1.00 0.00 C ATOM 807 CD1 LEU A 55 -4.533 2.328 -1.145 1.00 0.00 C ATOM 808 CD2 LEU A 55 -2.777 3.931 -0.370 1.00 0.00 C ATOM 0 H LEU A 55 -2.065 -0.100 2.240 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.001 0.768 -0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.470 0.722 0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.064 2.138 1.415 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.441 2.164 -1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.716 2.971 -2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.723 1.290 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.198 2.615 -0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.984 4.552 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.398 4.257 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.726 4.026 -0.098 1.00 0.00 H new ATOM 820 N TYR A 56 0.097 2.969 0.248 1.00 0.00 N ATOM 821 CA TYR A 56 0.976 4.074 0.612 1.00 0.00 C ATOM 822 C TYR A 56 0.493 5.381 -0.008 1.00 0.00 C ATOM 823 O TYR A 56 0.612 5.590 -1.216 1.00 0.00 O ATOM 824 CB TYR A 56 2.409 3.782 0.163 1.00 0.00 C ATOM 825 CG TYR A 56 3.074 2.670 0.943 1.00 0.00 C ATOM 826 CD1 TYR A 56 3.754 2.935 2.125 1.00 0.00 C ATOM 827 CD2 TYR A 56 3.020 1.355 0.498 1.00 0.00 C ATOM 828 CE1 TYR A 56 4.363 1.922 2.841 1.00 0.00 C ATOM 829 CE2 TYR A 56 3.625 0.336 1.208 1.00 0.00 C ATOM 830 CZ TYR A 56 4.296 0.625 2.378 1.00 0.00 C ATOM 831 OH TYR A 56 4.900 -0.387 3.089 1.00 0.00 O ATOM 0 H TYR A 56 -0.036 2.848 -0.756 1.00 0.00 H new ATOM 0 HA TYR A 56 0.956 4.179 1.697 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.403 3.519 -0.895 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.004 4.690 0.262 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.808 3.950 2.491 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.496 1.126 -0.418 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.888 2.145 3.758 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.573 -0.681 0.849 1.00 0.00 H new ATOM 0 HH TYR A 56 4.759 -1.240 2.628 1.00 0.00 H new ATOM 841 N PHE A 57 -0.051 6.259 0.828 1.00 0.00 N ATOM 842 CA PHE A 57 -0.553 7.547 0.364 1.00 0.00 C ATOM 843 C PHE A 57 0.209 8.696 1.018 1.00 0.00 C ATOM 844 O PHE A 57 0.644 8.592 2.165 1.00 0.00 O ATOM 845 CB PHE A 57 -2.048 7.675 0.665 1.00 0.00 C ATOM 846 CG PHE A 57 -2.684 8.884 0.041 1.00 0.00 C ATOM 847 CD1 PHE A 57 -2.527 9.146 -1.311 1.00 0.00 C ATOM 848 CD2 PHE A 57 -3.437 9.759 0.807 1.00 0.00 C ATOM 849 CE1 PHE A 57 -3.112 10.258 -1.888 1.00 0.00 C ATOM 850 CE2 PHE A 57 -4.024 10.872 0.235 1.00 0.00 C ATOM 851 CZ PHE A 57 -3.860 11.123 -1.113 1.00 0.00 C ATOM 0 H PHE A 57 -0.155 6.102 1.830 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.401 7.600 -0.714 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.560 6.781 0.309 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.191 7.716 1.745 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.941 8.474 -1.921 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.567 9.569 1.862 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.984 10.450 -2.943 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.611 11.545 0.842 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.316 11.994 -1.561 1.00 0.00 H new ATOM 861 N ARG A 58 0.368 9.790 0.280 1.00 0.00 N ATOM 862 CA ARG A 58 1.078 10.957 0.787 1.00 0.00 C ATOM 863 C ARG A 58 0.099 12.014 1.289 1.00 0.00 C ATOM 864 O ARG A 58 -0.910 12.299 0.644 1.00 0.00 O ATOM 865 CB ARG A 58 1.971 11.551 -0.305 1.00 0.00 C ATOM 866 CG ARG A 58 2.557 12.906 0.058 1.00 0.00 C ATOM 867 CD ARG A 58 3.835 12.761 0.869 1.00 0.00 C ATOM 868 NE ARG A 58 4.060 13.906 1.747 1.00 0.00 N ATOM 869 CZ ARG A 58 5.104 14.015 2.560 1.00 0.00 C ATOM 870 NH1 ARG A 58 6.015 13.053 2.607 1.00 0.00 N ATOM 871 NH2 ARG A 58 5.239 15.089 3.328 1.00 0.00 N ATOM 0 H ARG A 58 0.014 9.892 -0.671 1.00 0.00 H new ATOM 0 HA ARG A 58 1.701 10.638 1.623 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.785 10.857 -0.515 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.392 11.649 -1.223 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.764 13.470 -0.852 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.826 13.479 0.628 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.784 11.851 1.467 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.683 12.651 0.193 1.00 0.00 H new ATOM 0 HE ARG A 58 3.377 14.664 1.735 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.915 12.227 2.018 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.816 13.139 3.232 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.540 15.831 3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.041 15.172 3.952 1.00 0.00 H new ATOM 885 N THR A 59 0.403 12.593 2.447 1.00 0.00 N ATOM 886 CA THR A 59 -0.450 13.616 3.037 1.00 0.00 C ATOM 887 C THR A 59 0.356 14.855 3.412 1.00 0.00 C ATOM 888 O THR A 59 1.586 14.839 3.381 1.00 0.00 O ATOM 889 CB THR A 59 -1.173 13.090 4.291 1.00 0.00 C ATOM 890 OG1 THR A 59 -0.251 12.987 5.382 1.00 0.00 O ATOM 891 CG2 THR A 59 -1.802 11.731 4.023 1.00 0.00 C ATOM 0 H THR A 59 1.234 12.370 2.994 1.00 0.00 H new ATOM 0 HA THR A 59 -1.191 13.882 2.284 1.00 0.00 H new ATOM 0 HB THR A 59 -1.964 13.795 4.549 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.355 12.233 5.228 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.307 11.380 4.923 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.525 11.818 3.212 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.025 11.020 3.742 1.00 0.00 H new ATOM 899 N ASN A 60 -0.345 15.927 3.767 1.00 0.00 N ATOM 900 CA ASN A 60 0.306 17.175 4.148 1.00 0.00 C ATOM 901 C ASN A 60 1.309 16.943 5.274 1.00 0.00 C ATOM 902 O ASN A 60 2.404 17.504 5.268 1.00 0.00 O ATOM 903 CB ASN A 60 -0.737 18.206 4.582 1.00 0.00 C ATOM 904 CG ASN A 60 -1.405 18.886 3.402 1.00 0.00 C ATOM 905 OD1 ASN A 60 -2.632 18.938 3.315 1.00 0.00 O ATOM 906 ND2 ASN A 60 -0.598 19.410 2.487 1.00 0.00 N ATOM 0 H ASN A 60 -1.364 15.956 3.799 1.00 0.00 H new ATOM 0 HA ASN A 60 0.844 17.556 3.280 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.496 17.716 5.193 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.260 18.959 5.209 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.990 19.879 1.670 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.413 19.343 2.601 1.00 0.00 H new ATOM 913 N GLU A 61 0.925 16.113 6.239 1.00 0.00 N ATOM 914 CA GLU A 61 1.791 15.808 7.372 1.00 0.00 C ATOM 915 C GLU A 61 2.920 14.869 6.956 1.00 0.00 C ATOM 916 O GLU A 61 4.093 15.235 6.998 1.00 0.00 O ATOM 917 CB GLU A 61 0.981 15.178 8.507 1.00 0.00 C ATOM 918 CG GLU A 61 0.185 16.186 9.319 1.00 0.00 C ATOM 919 CD GLU A 61 1.066 17.221 9.990 1.00 0.00 C ATOM 920 OE1 GLU A 61 2.058 16.826 10.637 1.00 0.00 O ATOM 921 OE2 GLU A 61 0.764 18.426 9.867 1.00 0.00 O ATOM 0 H GLU A 61 0.021 15.640 6.259 1.00 0.00 H new ATOM 0 HA GLU A 61 2.229 16.742 7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.297 14.440 8.088 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.659 14.642 9.172 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.529 16.690 8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.393 15.660 10.078 1.00 0.00 H new ATOM 928 N ASN A 62 2.555 13.655 6.556 1.00 0.00 N ATOM 929 CA ASN A 62 3.536 12.662 6.134 1.00 0.00 C ATOM 930 C ASN A 62 2.852 11.459 5.492 1.00 0.00 C ATOM 931 O ASN A 62 1.643 11.272 5.633 1.00 0.00 O ATOM 932 CB ASN A 62 4.378 12.207 7.328 1.00 0.00 C ATOM 933 CG ASN A 62 3.571 12.136 8.610 1.00 0.00 C ATOM 934 OD1 ASN A 62 3.704 12.990 9.488 1.00 0.00 O ATOM 935 ND2 ASN A 62 2.730 11.115 8.725 1.00 0.00 N ATOM 0 H ASN A 62 1.587 13.335 6.515 1.00 0.00 H new ATOM 0 HA ASN A 62 4.188 13.125 5.393 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.805 11.227 7.116 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.212 12.895 7.464 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.162 11.015 9.566 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.652 10.431 7.972 1.00 0.00 H new ATOM 942 N ILE A 63 3.633 10.648 4.787 1.00 0.00 N ATOM 943 CA ILE A 63 3.102 9.463 4.124 1.00 0.00 C ATOM 944 C ILE A 63 2.473 8.506 5.131 1.00 0.00 C ATOM 945 O ILE A 63 3.120 8.085 6.090 1.00 0.00 O ATOM 946 CB ILE A 63 4.199 8.717 3.341 1.00 0.00 C ATOM 947 CG1 ILE A 63 4.770 9.615 2.242 1.00 0.00 C ATOM 948 CG2 ILE A 63 3.644 7.431 2.747 1.00 0.00 C ATOM 949 CD1 ILE A 63 6.132 9.176 1.751 1.00 0.00 C ATOM 0 H ILE A 63 4.635 10.789 4.660 1.00 0.00 H new ATOM 0 HA ILE A 63 2.339 9.807 3.426 1.00 0.00 H new ATOM 0 HB ILE A 63 5.004 8.458 4.028 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.077 9.631 1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.840 10.636 2.618 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.431 6.915 2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.280 6.788 3.548 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.823 7.668 2.070 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.475 9.858 0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.839 9.187 2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.064 8.167 1.345 1.00 0.00 H new ATOM 961 N GLN A 64 1.208 8.166 4.905 1.00 0.00 N ATOM 962 CA GLN A 64 0.491 7.257 5.792 1.00 0.00 C ATOM 963 C GLN A 64 0.734 5.805 5.395 1.00 0.00 C ATOM 964 O GLN A 64 1.425 5.526 4.415 1.00 0.00 O ATOM 965 CB GLN A 64 -1.007 7.562 5.767 1.00 0.00 C ATOM 966 CG GLN A 64 -1.417 8.677 6.715 1.00 0.00 C ATOM 967 CD GLN A 64 -2.868 8.575 7.143 1.00 0.00 C ATOM 968 OE1 GLN A 64 -3.295 7.560 7.694 1.00 0.00 O ATOM 969 NE2 GLN A 64 -3.635 9.629 6.892 1.00 0.00 N ATOM 0 H GLN A 64 0.659 8.506 4.116 1.00 0.00 H new ATOM 0 HA GLN A 64 0.867 7.405 6.804 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.297 7.834 4.752 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.558 6.657 6.024 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.779 8.651 7.598 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.252 9.640 6.231 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.240 10.450 6.433 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.620 9.618 7.158 1.00 0.00 H new ATOM 978 N ARG A 65 0.160 4.883 6.162 1.00 0.00 N ATOM 979 CA ARG A 65 0.315 3.459 5.891 1.00 0.00 C ATOM 980 C ARG A 65 -0.962 2.698 6.234 1.00 0.00 C ATOM 981 O ARG A 65 -1.364 2.631 7.396 1.00 0.00 O ATOM 982 CB ARG A 65 1.490 2.891 6.689 1.00 0.00 C ATOM 983 CG ARG A 65 1.856 1.467 6.305 1.00 0.00 C ATOM 984 CD ARG A 65 2.692 0.796 7.383 1.00 0.00 C ATOM 985 NE ARG A 65 2.525 -0.655 7.382 1.00 0.00 N ATOM 986 CZ ARG A 65 3.410 -1.497 7.903 1.00 0.00 C ATOM 987 NH1 ARG A 65 4.519 -1.035 8.464 1.00 0.00 N ATOM 988 NH2 ARG A 65 3.186 -2.805 7.864 1.00 0.00 N ATOM 0 H ARG A 65 -0.416 5.097 6.976 1.00 0.00 H new ATOM 0 HA ARG A 65 0.515 3.337 4.826 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.360 3.532 6.545 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.245 2.920 7.751 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.947 0.890 6.136 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.409 1.473 5.366 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.743 1.040 7.231 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.411 1.192 8.359 1.00 0.00 H new ATOM 0 HE ARG A 65 1.682 -1.043 6.958 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.694 -0.031 8.496 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.197 -1.684 8.863 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.334 -3.164 7.434 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.866 -3.451 8.264 1.00 0.00 H new ATOM 1002 N PHE A 66 -1.596 2.127 5.215 1.00 0.00 N ATOM 1003 CA PHE A 66 -2.828 1.372 5.409 1.00 0.00 C ATOM 1004 C PHE A 66 -2.555 -0.129 5.389 1.00 0.00 C ATOM 1005 O PHE A 66 -1.566 -0.585 4.815 1.00 0.00 O ATOM 1006 CB PHE A 66 -3.847 1.730 4.324 1.00 0.00 C ATOM 1007 CG PHE A 66 -4.023 3.210 4.133 1.00 0.00 C ATOM 1008 CD1 PHE A 66 -3.135 3.931 3.350 1.00 0.00 C ATOM 1009 CD2 PHE A 66 -5.076 3.879 4.736 1.00 0.00 C ATOM 1010 CE1 PHE A 66 -3.295 5.293 3.174 1.00 0.00 C ATOM 1011 CE2 PHE A 66 -5.240 5.240 4.562 1.00 0.00 C ATOM 1012 CZ PHE A 66 -4.349 5.948 3.779 1.00 0.00 C ATOM 0 H PHE A 66 -1.277 2.173 4.247 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.237 1.637 6.384 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.533 1.285 3.380 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.810 1.288 4.580 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.310 3.424 2.873 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.776 3.331 5.349 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.595 5.844 2.563 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.064 5.750 5.038 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.477 7.011 3.640 1.00 0.00 H new ATOM 1022 N LYS A 67 -3.439 -0.894 6.022 1.00 0.00 N ATOM 1023 CA LYS A 67 -3.296 -2.344 6.078 1.00 0.00 C ATOM 1024 C LYS A 67 -4.499 -3.034 5.441 1.00 0.00 C ATOM 1025 O LYS A 67 -5.635 -2.849 5.879 1.00 0.00 O ATOM 1026 CB LYS A 67 -3.138 -2.805 7.528 1.00 0.00 C ATOM 1027 CG LYS A 67 -4.397 -2.636 8.361 1.00 0.00 C ATOM 1028 CD LYS A 67 -4.097 -2.718 9.848 1.00 0.00 C ATOM 1029 CE LYS A 67 -3.736 -4.135 10.266 1.00 0.00 C ATOM 1030 NZ LYS A 67 -4.916 -5.043 10.227 1.00 0.00 N ATOM 0 H LYS A 67 -4.263 -0.533 6.504 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.403 -2.619 5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.845 -3.855 7.537 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.327 -2.244 7.992 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.858 -1.675 8.134 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.119 -3.407 8.092 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.275 -2.045 10.092 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.965 -2.380 10.415 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.959 -4.521 9.607 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.321 -4.122 11.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.688 -5.930 10.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.723 -4.584 10.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.162 -5.251 9.238 1.00 0.00 H new ATOM 1044 N ILE A 68 -4.240 -3.830 4.409 1.00 0.00 N ATOM 1045 CA ILE A 68 -5.302 -4.549 3.716 1.00 0.00 C ATOM 1046 C ILE A 68 -5.170 -6.054 3.920 1.00 0.00 C ATOM 1047 O ILE A 68 -4.170 -6.659 3.529 1.00 0.00 O ATOM 1048 CB ILE A 68 -5.294 -4.245 2.206 1.00 0.00 C ATOM 1049 CG1 ILE A 68 -5.302 -2.733 1.968 1.00 0.00 C ATOM 1050 CG2 ILE A 68 -6.489 -4.899 1.528 1.00 0.00 C ATOM 1051 CD1 ILE A 68 -4.808 -2.335 0.595 1.00 0.00 C ATOM 0 H ILE A 68 -3.305 -3.993 4.035 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.245 -4.208 4.143 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.383 -4.658 1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.316 -2.357 2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.680 -2.251 2.723 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.470 -4.675 0.461 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.444 -5.978 1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.411 -4.513 1.963 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.841 -1.250 0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.782 -2.680 0.463 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.444 -2.788 -0.166 1.00 0.00 H new ATOM 1063 N CYS A 69 -6.185 -6.654 4.533 1.00 0.00 N ATOM 1064 CA CYS A 69 -6.183 -8.090 4.789 1.00 0.00 C ATOM 1065 C CYS A 69 -7.207 -8.799 3.909 1.00 0.00 C ATOM 1066 O CYS A 69 -8.301 -8.294 3.655 1.00 0.00 O ATOM 1067 CB CYS A 69 -6.480 -8.367 6.263 1.00 0.00 C ATOM 1068 SG CYS A 69 -5.056 -8.149 7.356 1.00 0.00 S ATOM 0 H CYS A 69 -7.019 -6.168 4.862 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.193 -8.476 4.547 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -7.282 -7.705 6.592 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -6.848 -9.388 6.363 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.976 -8.535 6.744 1.00 0.00 H new ATOM 1074 N PRO A 70 -6.846 -10.000 3.431 1.00 0.00 N ATOM 1075 CA PRO A 70 -7.720 -10.804 2.571 1.00 0.00 C ATOM 1076 C PRO A 70 -8.924 -11.358 3.325 1.00 0.00 C ATOM 1077 O PRO A 70 -8.959 -11.348 4.556 1.00 0.00 O ATOM 1078 CB PRO A 70 -6.809 -11.944 2.109 1.00 0.00 C ATOM 1079 CG PRO A 70 -5.774 -12.058 3.174 1.00 0.00 C ATOM 1080 CD PRO A 70 -5.559 -10.664 3.693 1.00 0.00 C ATOM 0 HA PRO A 70 -8.141 -10.217 1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.365 -12.875 1.997 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.358 -11.723 1.141 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -6.105 -12.724 3.971 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.848 -12.473 2.776 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.316 -10.664 4.756 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.738 -10.166 3.178 1.00 0.00 H new ATOM 1088 N THR A 71 -9.913 -11.841 2.578 1.00 0.00 N ATOM 1089 CA THR A 71 -11.120 -12.397 3.175 1.00 0.00 C ATOM 1090 C THR A 71 -11.557 -13.666 2.452 1.00 0.00 C ATOM 1091 O THR A 71 -11.406 -13.800 1.237 1.00 0.00 O ATOM 1092 CB THR A 71 -12.278 -11.382 3.152 1.00 0.00 C ATOM 1093 OG1 THR A 71 -12.698 -11.149 1.803 1.00 0.00 O ATOM 1094 CG2 THR A 71 -11.859 -10.068 3.792 1.00 0.00 C ATOM 0 H THR A 71 -9.901 -11.858 1.558 1.00 0.00 H new ATOM 0 HA THR A 71 -10.878 -12.637 4.210 1.00 0.00 H new ATOM 0 HB THR A 71 -13.108 -11.798 3.724 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.917 -10.944 1.248 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.693 -9.367 3.764 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.568 -10.244 4.828 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.015 -9.649 3.244 1.00 0.00 H new ATOM 1102 N PRO A 72 -12.112 -14.621 3.212 1.00 0.00 N ATOM 1103 CA PRO A 72 -12.583 -15.896 2.664 1.00 0.00 C ATOM 1104 C PRO A 72 -13.825 -15.729 1.794 1.00 0.00 C ATOM 1105 O PRO A 72 -14.374 -16.706 1.287 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.911 -16.720 3.912 1.00 0.00 C ATOM 1107 CG PRO A 72 -13.206 -15.709 4.966 1.00 0.00 C ATOM 1108 CD PRO A 72 -12.323 -14.529 4.667 1.00 0.00 C ATOM 0 HA PRO A 72 -11.841 -16.359 2.014 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.766 -17.375 3.741 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.074 -17.357 4.197 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -14.258 -15.423 4.949 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.000 -16.109 5.959 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.800 -13.589 4.945 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.382 -14.583 5.214 1.00 0.00 H new ATOM 1116 N ASN A 73 -14.262 -14.485 1.627 1.00 0.00 N ATOM 1117 CA ASN A 73 -15.439 -14.191 0.818 1.00 0.00 C ATOM 1118 C ASN A 73 -15.038 -13.676 -0.561 1.00 0.00 C ATOM 1119 O ASN A 73 -15.844 -13.073 -1.268 1.00 0.00 O ATOM 1120 CB ASN A 73 -16.323 -13.160 1.523 1.00 0.00 C ATOM 1121 CG ASN A 73 -17.777 -13.262 1.105 1.00 0.00 C ATOM 1122 OD1 ASN A 73 -18.673 -13.296 2.084 1.00 0.00 O flip ATOM 1123 ND2 ASN A 73 -18.090 -13.310 -0.085 1.00 0.00 N flip ATOM 0 H ASN A 73 -13.819 -13.665 2.041 1.00 0.00 H new ATOM 0 HA ASN A 73 -16.001 -15.116 0.690 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -16.247 -13.298 2.602 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -15.954 -12.158 1.303 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -17.367 -13.281 -0.804 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -19.072 -13.379 -0.352 1.00 0.00 H new ATOM 1130 N ASN A 74 -13.786 -13.920 -0.936 1.00 0.00 N ATOM 1131 CA ASN A 74 -13.277 -13.481 -2.230 1.00 0.00 C ATOM 1132 C ASN A 74 -13.274 -11.958 -2.325 1.00 0.00 C ATOM 1133 O ASN A 74 -13.483 -11.394 -3.399 1.00 0.00 O ATOM 1134 CB ASN A 74 -14.122 -14.072 -3.361 1.00 0.00 C ATOM 1135 CG ASN A 74 -13.435 -13.969 -4.709 1.00 0.00 C ATOM 1136 OD1 ASN A 74 -12.220 -14.137 -4.814 1.00 0.00 O ATOM 1137 ND2 ASN A 74 -14.214 -13.692 -5.749 1.00 0.00 N ATOM 0 H ASN A 74 -13.106 -14.419 -0.362 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.251 -13.836 -2.328 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.335 -15.119 -3.143 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.080 -13.554 -3.404 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.810 -13.611 -6.682 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.217 -13.561 -5.615 1.00 0.00 H new ATOM 1144 N GLN A 75 -13.034 -11.301 -1.195 1.00 0.00 N ATOM 1145 CA GLN A 75 -13.004 -9.843 -1.152 1.00 0.00 C ATOM 1146 C GLN A 75 -11.745 -9.346 -0.449 1.00 0.00 C ATOM 1147 O GLN A 75 -10.901 -10.138 -0.031 1.00 0.00 O ATOM 1148 CB GLN A 75 -14.246 -9.307 -0.438 1.00 0.00 C ATOM 1149 CG GLN A 75 -15.499 -9.330 -1.299 1.00 0.00 C ATOM 1150 CD GLN A 75 -16.767 -9.146 -0.488 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -17.254 -8.027 -0.321 1.00 0.00 O ATOM 1152 NE2 GLN A 75 -17.310 -10.246 0.020 1.00 0.00 N ATOM 0 H GLN A 75 -12.858 -11.754 -0.298 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.996 -9.474 -2.178 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.422 -9.898 0.461 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -14.056 -8.284 -0.115 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -15.434 -8.542 -2.049 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -15.549 -10.277 -1.835 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.873 -11.153 -0.143 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -18.164 -10.184 0.574 1.00 0.00 H new ATOM 1161 N PHE A 76 -11.625 -8.028 -0.323 1.00 0.00 N ATOM 1162 CA PHE A 76 -10.468 -7.425 0.327 1.00 0.00 C ATOM 1163 C PHE A 76 -10.904 -6.435 1.404 1.00 0.00 C ATOM 1164 O PHE A 76 -11.759 -5.582 1.168 1.00 0.00 O ATOM 1165 CB PHE A 76 -9.587 -6.717 -0.704 1.00 0.00 C ATOM 1166 CG PHE A 76 -8.936 -7.655 -1.680 1.00 0.00 C ATOM 1167 CD1 PHE A 76 -9.693 -8.331 -2.623 1.00 0.00 C ATOM 1168 CD2 PHE A 76 -7.566 -7.860 -1.655 1.00 0.00 C ATOM 1169 CE1 PHE A 76 -9.096 -9.195 -3.521 1.00 0.00 C ATOM 1170 CE2 PHE A 76 -6.963 -8.722 -2.551 1.00 0.00 C ATOM 1171 CZ PHE A 76 -7.729 -9.390 -3.486 1.00 0.00 C ATOM 0 H PHE A 76 -12.315 -7.358 -0.663 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.893 -8.221 0.800 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.192 -5.996 -1.253 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.813 -6.153 -0.183 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.762 -8.181 -2.657 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.962 -7.340 -0.926 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -9.698 -9.718 -4.250 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.894 -8.873 -2.520 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.260 -10.063 -4.188 1.00 0.00 H new ATOM 1181 N MET A 77 -10.312 -6.558 2.587 1.00 0.00 N ATOM 1182 CA MET A 77 -10.638 -5.675 3.701 1.00 0.00 C ATOM 1183 C MET A 77 -9.626 -4.539 3.809 1.00 0.00 C ATOM 1184 O MET A 77 -8.427 -4.776 3.947 1.00 0.00 O ATOM 1185 CB MET A 77 -10.679 -6.464 5.011 1.00 0.00 C ATOM 1186 CG MET A 77 -12.048 -7.044 5.329 1.00 0.00 C ATOM 1187 SD MET A 77 -11.984 -8.310 6.611 1.00 0.00 S ATOM 1188 CE MET A 77 -11.038 -7.466 7.875 1.00 0.00 C ATOM 0 H MET A 77 -9.604 -7.261 2.799 1.00 0.00 H new ATOM 0 HA MET A 77 -11.622 -5.245 3.514 1.00 0.00 H new ATOM 0 HB2 MET A 77 -9.953 -7.275 4.960 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.371 -5.812 5.828 1.00 0.00 H new ATOM 0 HG2 MET A 77 -12.713 -6.242 5.649 1.00 0.00 H new ATOM 0 HG3 MET A 77 -12.477 -7.471 4.423 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.151 -7.990 8.824 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.986 -7.450 7.592 1.00 0.00 H new ATOM 0 HE3 MET A 77 -11.401 -6.444 7.979 1.00 0.00 H new ATOM 1198 N MET A 78 -10.118 -3.306 3.744 1.00 0.00 N ATOM 1199 CA MET A 78 -9.255 -2.134 3.836 1.00 0.00 C ATOM 1200 C MET A 78 -9.453 -1.416 5.167 1.00 0.00 C ATOM 1201 O MET A 78 -8.516 -1.274 5.952 1.00 0.00 O ATOM 1202 CB MET A 78 -9.538 -1.174 2.679 1.00 0.00 C ATOM 1203 CG MET A 78 -8.394 -0.217 2.390 1.00 0.00 C ATOM 1204 SD MET A 78 -8.404 1.225 3.473 1.00 0.00 S ATOM 1205 CE MET A 78 -7.437 2.382 2.505 1.00 0.00 C ATOM 0 H MET A 78 -11.109 -3.093 3.628 1.00 0.00 H new ATOM 0 HA MET A 78 -8.220 -2.470 3.775 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.752 -1.753 1.781 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.434 -0.597 2.907 1.00 0.00 H new ATOM 0 HG2 MET A 78 -7.447 -0.745 2.503 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.454 0.112 1.353 1.00 0.00 H new ATOM 0 HE1 MET A 78 -7.571 3.389 2.901 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.383 2.109 2.558 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.768 2.353 1.467 1.00 0.00 H new ATOM 1215 N GLY A 79 -10.679 -0.965 5.415 1.00 0.00 N ATOM 1216 CA GLY A 79 -10.976 -0.267 6.652 1.00 0.00 C ATOM 1217 C GLY A 79 -12.327 -0.650 7.224 1.00 0.00 C ATOM 1218 O GLY A 79 -13.205 0.197 7.381 1.00 0.00 O ATOM 0 H GLY A 79 -11.471 -1.071 4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.199 -0.486 7.385 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.952 0.808 6.474 1.00 0.00 H new ATOM 1222 N GLY A 80 -12.495 -1.932 7.534 1.00 0.00 N ATOM 1223 CA GLY A 80 -13.752 -2.403 8.086 1.00 0.00 C ATOM 1224 C GLY A 80 -14.808 -2.618 7.021 1.00 0.00 C ATOM 1225 O GLY A 80 -16.005 -2.530 7.297 1.00 0.00 O ATOM 0 H GLY A 80 -11.783 -2.653 7.413 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.583 -3.338 8.620 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -14.118 -1.681 8.816 1.00 0.00 H new ATOM 1229 N ARG A 81 -14.366 -2.900 5.800 1.00 0.00 N ATOM 1230 CA ARG A 81 -15.282 -3.125 4.688 1.00 0.00 C ATOM 1231 C ARG A 81 -14.798 -4.274 3.809 1.00 0.00 C ATOM 1232 O ARG A 81 -13.736 -4.848 4.049 1.00 0.00 O ATOM 1233 CB ARG A 81 -15.425 -1.853 3.851 1.00 0.00 C ATOM 1234 CG ARG A 81 -16.290 -0.787 4.505 1.00 0.00 C ATOM 1235 CD ARG A 81 -15.487 0.060 5.481 1.00 0.00 C ATOM 1236 NE ARG A 81 -16.312 0.566 6.574 1.00 0.00 N ATOM 1237 CZ ARG A 81 -17.288 1.452 6.409 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -17.560 1.926 5.201 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -17.996 1.864 7.453 1.00 0.00 N ATOM 0 H ARG A 81 -13.379 -2.978 5.555 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.255 -3.391 5.100 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.434 -1.439 3.662 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.853 -2.112 2.882 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.723 -0.147 3.737 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -17.119 -1.261 5.030 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.669 -0.534 5.889 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.037 0.898 4.949 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.129 0.220 7.516 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -17.019 1.610 4.396 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -18.310 2.606 5.077 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -17.791 1.500 8.384 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -18.745 2.544 7.325 1.00 0.00 H new ATOM 1253 N TYR A 82 -15.584 -4.603 2.789 1.00 0.00 N ATOM 1254 CA TYR A 82 -15.236 -5.685 1.875 1.00 0.00 C ATOM 1255 C TYR A 82 -15.378 -5.238 0.424 1.00 0.00 C ATOM 1256 O TYR A 82 -16.398 -4.669 0.034 1.00 0.00 O ATOM 1257 CB TYR A 82 -16.123 -6.904 2.135 1.00 0.00 C ATOM 1258 CG TYR A 82 -16.465 -7.105 3.594 1.00 0.00 C ATOM 1259 CD1 TYR A 82 -15.467 -7.168 4.559 1.00 0.00 C ATOM 1260 CD2 TYR A 82 -17.785 -7.233 4.007 1.00 0.00 C ATOM 1261 CE1 TYR A 82 -15.774 -7.352 5.893 1.00 0.00 C ATOM 1262 CE2 TYR A 82 -18.102 -7.416 5.340 1.00 0.00 C ATOM 1263 CZ TYR A 82 -17.093 -7.475 6.278 1.00 0.00 C ATOM 1264 OH TYR A 82 -17.404 -7.659 7.606 1.00 0.00 O ATOM 0 H TYR A 82 -16.465 -4.136 2.575 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.195 -5.957 2.052 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -17.046 -6.799 1.565 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -15.619 -7.796 1.763 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.434 -7.071 4.261 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -18.577 -7.189 3.274 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.986 -7.399 6.630 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -19.134 -7.512 5.645 1.00 0.00 H new ATOM 0 HH TYR A 82 -18.376 -7.726 7.708 1.00 0.00 H new ATOM 1274 N TYR A 83 -14.348 -5.502 -0.373 1.00 0.00 N ATOM 1275 CA TYR A 83 -14.356 -5.126 -1.782 1.00 0.00 C ATOM 1276 C TYR A 83 -13.867 -6.278 -2.655 1.00 0.00 C ATOM 1277 O TYR A 83 -12.842 -6.896 -2.370 1.00 0.00 O ATOM 1278 CB TYR A 83 -13.479 -3.893 -2.007 1.00 0.00 C ATOM 1279 CG TYR A 83 -14.012 -2.643 -1.344 1.00 0.00 C ATOM 1280 CD1 TYR A 83 -13.680 -2.334 -0.030 1.00 0.00 C ATOM 1281 CD2 TYR A 83 -14.847 -1.770 -2.030 1.00 0.00 C ATOM 1282 CE1 TYR A 83 -14.164 -1.193 0.580 1.00 0.00 C ATOM 1283 CE2 TYR A 83 -15.335 -0.627 -1.429 1.00 0.00 C ATOM 1284 CZ TYR A 83 -14.991 -0.343 -0.124 1.00 0.00 C ATOM 1285 OH TYR A 83 -15.476 0.795 0.480 1.00 0.00 O ATOM 0 H TYR A 83 -13.497 -5.975 -0.067 1.00 0.00 H new ATOM 0 HA TYR A 83 -15.382 -4.890 -2.064 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -12.477 -4.096 -1.629 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -13.385 -3.714 -3.078 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -13.032 -2.998 0.524 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -15.119 -1.989 -3.052 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -13.896 -0.968 1.602 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -15.982 0.041 -1.978 1.00 0.00 H new ATOM 0 HH TYR A 83 -15.324 1.566 -0.105 1.00 0.00 H new ATOM 1295 N ASN A 84 -14.609 -6.559 -3.721 1.00 0.00 N ATOM 1296 CA ASN A 84 -14.252 -7.636 -4.638 1.00 0.00 C ATOM 1297 C ASN A 84 -12.739 -7.716 -4.821 1.00 0.00 C ATOM 1298 O ASN A 84 -12.127 -8.753 -4.568 1.00 0.00 O ATOM 1299 CB ASN A 84 -14.931 -7.426 -5.993 1.00 0.00 C ATOM 1300 CG ASN A 84 -14.420 -8.386 -7.050 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -13.970 -7.969 -8.117 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -14.489 -9.680 -6.757 1.00 0.00 N ATOM 0 H ASN A 84 -15.461 -6.057 -3.971 1.00 0.00 H new ATOM 0 HA ASN A 84 -14.598 -8.576 -4.208 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -16.008 -7.553 -5.880 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.764 -6.401 -6.325 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -14.161 -10.373 -7.429 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -14.870 -9.980 -5.860 1.00 0.00 H new ATOM 1309 N SER A 85 -12.143 -6.613 -5.263 1.00 0.00 N ATOM 1310 CA SER A 85 -10.703 -6.558 -5.483 1.00 0.00 C ATOM 1311 C SER A 85 -10.173 -5.145 -5.261 1.00 0.00 C ATOM 1312 O SER A 85 -10.933 -4.176 -5.271 1.00 0.00 O ATOM 1313 CB SER A 85 -10.365 -7.025 -6.901 1.00 0.00 C ATOM 1314 OG SER A 85 -8.963 -7.064 -7.104 1.00 0.00 O ATOM 0 H SER A 85 -12.635 -5.745 -5.476 1.00 0.00 H new ATOM 0 HA SER A 85 -10.224 -7.224 -4.765 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.788 -8.015 -7.072 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.822 -6.353 -7.627 1.00 0.00 H new ATOM 0 HG SER A 85 -8.773 -7.367 -8.016 1.00 0.00 H new ATOM 1320 N ILE A 86 -8.864 -5.036 -5.060 1.00 0.00 N ATOM 1321 CA ILE A 86 -8.231 -3.743 -4.836 1.00 0.00 C ATOM 1322 C ILE A 86 -8.735 -2.704 -5.832 1.00 0.00 C ATOM 1323 O ILE A 86 -9.115 -1.598 -5.453 1.00 0.00 O ATOM 1324 CB ILE A 86 -6.697 -3.840 -4.944 1.00 0.00 C ATOM 1325 CG1 ILE A 86 -6.149 -4.795 -3.882 1.00 0.00 C ATOM 1326 CG2 ILE A 86 -6.068 -2.462 -4.801 1.00 0.00 C ATOM 1327 CD1 ILE A 86 -4.707 -5.189 -4.111 1.00 0.00 C ATOM 0 H ILE A 86 -8.221 -5.828 -5.048 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.497 -3.433 -3.825 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.440 -4.234 -5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.238 -4.326 -2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.764 -5.695 -3.862 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.984 -2.547 -4.879 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.439 -1.809 -5.591 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.330 -2.042 -3.830 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.385 -5.867 -3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.615 -5.687 -5.076 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.080 -4.297 -4.102 1.00 0.00 H new ATOM 1339 N GLY A 87 -8.735 -3.070 -7.111 1.00 0.00 N ATOM 1340 CA GLY A 87 -9.196 -2.159 -8.143 1.00 0.00 C ATOM 1341 C GLY A 87 -10.436 -1.393 -7.727 1.00 0.00 C ATOM 1342 O GLY A 87 -10.504 -0.174 -7.890 1.00 0.00 O ATOM 0 H GLY A 87 -8.424 -3.980 -7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.400 -1.454 -8.383 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.408 -2.722 -9.052 1.00 0.00 H new ATOM 1346 N ASP A 88 -11.420 -2.107 -7.192 1.00 0.00 N ATOM 1347 CA ASP A 88 -12.664 -1.486 -6.753 1.00 0.00 C ATOM 1348 C ASP A 88 -12.409 -0.504 -5.614 1.00 0.00 C ATOM 1349 O ASP A 88 -12.754 0.675 -5.708 1.00 0.00 O ATOM 1350 CB ASP A 88 -13.663 -2.555 -6.306 1.00 0.00 C ATOM 1351 CG ASP A 88 -15.102 -2.129 -6.521 1.00 0.00 C ATOM 1352 OD1 ASP A 88 -15.345 -1.286 -7.410 1.00 0.00 O ATOM 1353 OD2 ASP A 88 -15.985 -2.639 -5.800 1.00 0.00 O ATOM 0 H ASP A 88 -11.380 -3.117 -7.052 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.084 -0.937 -7.596 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.474 -3.477 -6.856 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.506 -2.776 -5.250 1.00 0.00 H new ATOM 1358 N ILE A 89 -11.804 -0.996 -4.539 1.00 0.00 N ATOM 1359 CA ILE A 89 -11.503 -0.162 -3.382 1.00 0.00 C ATOM 1360 C ILE A 89 -11.090 1.243 -3.810 1.00 0.00 C ATOM 1361 O ILE A 89 -11.429 2.227 -3.152 1.00 0.00 O ATOM 1362 CB ILE A 89 -10.381 -0.774 -2.523 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -10.875 -2.046 -1.831 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -9.888 0.236 -1.497 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.759 -2.924 -1.310 1.00 0.00 C ATOM 0 H ILE A 89 -11.512 -1.969 -4.445 1.00 0.00 H new ATOM 0 HA ILE A 89 -12.415 -0.106 -2.788 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.548 -1.037 -3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -11.526 -1.769 -1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.480 -2.620 -2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -9.095 -0.212 -0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.502 1.117 -2.010 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.713 0.527 -0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.184 -3.807 -0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.121 -3.231 -2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.167 -2.367 -0.583 1.00 0.00 H new ATOM 1377 N ILE A 90 -10.360 1.328 -4.917 1.00 0.00 N ATOM 1378 CA ILE A 90 -9.905 2.612 -5.434 1.00 0.00 C ATOM 1379 C ILE A 90 -11.067 3.418 -6.004 1.00 0.00 C ATOM 1380 O ILE A 90 -11.463 4.439 -5.441 1.00 0.00 O ATOM 1381 CB ILE A 90 -8.835 2.431 -6.527 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -7.659 1.612 -5.990 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -8.358 3.785 -7.031 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -6.690 1.170 -7.064 1.00 0.00 C ATOM 0 H ILE A 90 -10.071 0.523 -5.473 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.468 3.153 -4.595 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.279 1.890 -7.363 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.122 2.205 -5.249 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.045 0.732 -5.475 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.602 3.640 -7.803 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.201 4.336 -7.448 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.928 4.350 -6.204 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.882 0.595 -6.611 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.212 0.550 -7.793 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.276 2.046 -7.563 1.00 0.00 H new ATOM 1396 N ASP A 91 -11.609 2.952 -7.123 1.00 0.00 N ATOM 1397 CA ASP A 91 -12.729 3.628 -7.769 1.00 0.00 C ATOM 1398 C ASP A 91 -13.741 4.112 -6.735 1.00 0.00 C ATOM 1399 O ASP A 91 -14.308 5.197 -6.867 1.00 0.00 O ATOM 1400 CB ASP A 91 -13.410 2.692 -8.769 1.00 0.00 C ATOM 1401 CG ASP A 91 -12.467 2.226 -9.861 1.00 0.00 C ATOM 1402 OD1 ASP A 91 -11.277 1.999 -9.559 1.00 0.00 O ATOM 1403 OD2 ASP A 91 -12.918 2.090 -11.017 1.00 0.00 O ATOM 0 H ASP A 91 -11.292 2.109 -7.602 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.339 4.495 -8.303 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -13.805 1.825 -8.240 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.260 3.204 -9.221 1.00 0.00 H new ATOM 1408 N HIS A 92 -13.964 3.299 -5.708 1.00 0.00 N ATOM 1409 CA HIS A 92 -14.909 3.644 -4.651 1.00 0.00 C ATOM 1410 C HIS A 92 -14.402 4.828 -3.834 1.00 0.00 C ATOM 1411 O HIS A 92 -15.154 5.756 -3.536 1.00 0.00 O ATOM 1412 CB HIS A 92 -15.144 2.442 -3.736 1.00 0.00 C ATOM 1413 CG HIS A 92 -16.257 2.644 -2.755 1.00 0.00 C ATOM 1414 ND1 HIS A 92 -16.050 2.781 -1.399 1.00 0.00 N ATOM 1415 CD2 HIS A 92 -17.595 2.735 -2.941 1.00 0.00 C ATOM 1416 CE1 HIS A 92 -17.212 2.945 -0.792 1.00 0.00 C ATOM 1417 NE2 HIS A 92 -18.166 2.922 -1.706 1.00 0.00 N ATOM 0 H HIS A 92 -13.504 2.397 -5.585 1.00 0.00 H new ATOM 0 HA HIS A 92 -15.852 3.925 -5.119 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -15.365 1.568 -4.348 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -14.225 2.226 -3.191 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -18.116 2.672 -3.885 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -17.357 3.076 0.270 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -19.164 3.026 -1.524 1.00 0.00 H new ATOM 1425 N TYR A 93 -13.123 4.790 -3.476 1.00 0.00 N ATOM 1426 CA TYR A 93 -12.517 5.858 -2.691 1.00 0.00 C ATOM 1427 C TYR A 93 -12.451 7.154 -3.494 1.00 0.00 C ATOM 1428 O TYR A 93 -12.647 8.243 -2.953 1.00 0.00 O ATOM 1429 CB TYR A 93 -11.113 5.454 -2.239 1.00 0.00 C ATOM 1430 CG TYR A 93 -11.088 4.738 -0.907 1.00 0.00 C ATOM 1431 CD1 TYR A 93 -11.696 5.292 0.213 1.00 0.00 C ATOM 1432 CD2 TYR A 93 -10.458 3.508 -0.769 1.00 0.00 C ATOM 1433 CE1 TYR A 93 -11.675 4.643 1.432 1.00 0.00 C ATOM 1434 CE2 TYR A 93 -10.434 2.850 0.446 1.00 0.00 C ATOM 1435 CZ TYR A 93 -11.043 3.422 1.543 1.00 0.00 C ATOM 1436 OH TYR A 93 -11.021 2.770 2.755 1.00 0.00 O ATOM 0 H TYR A 93 -12.486 4.031 -3.717 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.140 6.027 -1.813 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.668 4.809 -2.997 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.490 6.346 -2.174 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.194 6.247 0.129 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.979 3.058 -1.626 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.151 5.089 2.293 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.941 1.893 0.536 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.191 2.255 2.834 1.00 0.00 H new ATOM 1446 N ARG A 94 -12.175 7.028 -4.787 1.00 0.00 N ATOM 1447 CA ARG A 94 -12.083 8.187 -5.666 1.00 0.00 C ATOM 1448 C ARG A 94 -13.293 9.100 -5.490 1.00 0.00 C ATOM 1449 O ARG A 94 -13.205 10.312 -5.690 1.00 0.00 O ATOM 1450 CB ARG A 94 -11.975 7.741 -7.125 1.00 0.00 C ATOM 1451 CG ARG A 94 -10.764 6.868 -7.407 1.00 0.00 C ATOM 1452 CD ARG A 94 -10.340 6.956 -8.865 1.00 0.00 C ATOM 1453 NE ARG A 94 -11.007 5.952 -9.690 1.00 0.00 N ATOM 1454 CZ ARG A 94 -12.213 6.120 -10.222 1.00 0.00 C ATOM 1455 NH1 ARG A 94 -12.880 7.247 -10.016 1.00 0.00 N ATOM 1456 NH2 ARG A 94 -12.753 5.159 -10.961 1.00 0.00 N ATOM 0 H ARG A 94 -12.011 6.134 -5.250 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.186 8.745 -5.397 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.878 7.194 -7.397 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.933 8.623 -7.764 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -9.936 7.175 -6.767 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.994 5.833 -7.156 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -10.567 7.950 -9.249 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.260 6.826 -8.937 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.520 5.073 -9.868 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.468 7.987 -9.448 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.806 7.374 -10.425 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.242 4.291 -11.121 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -13.679 5.289 -11.369 1.00 0.00 H new ATOM 1470 N LYS A 95 -14.423 8.510 -5.115 1.00 0.00 N ATOM 1471 CA LYS A 95 -15.652 9.269 -4.911 1.00 0.00 C ATOM 1472 C LYS A 95 -15.872 9.560 -3.430 1.00 0.00 C ATOM 1473 O LYS A 95 -16.663 10.431 -3.071 1.00 0.00 O ATOM 1474 CB LYS A 95 -16.849 8.500 -5.474 1.00 0.00 C ATOM 1475 CG LYS A 95 -16.905 8.487 -6.992 1.00 0.00 C ATOM 1476 CD LYS A 95 -18.097 7.694 -7.500 1.00 0.00 C ATOM 1477 CE LYS A 95 -18.344 7.944 -8.979 1.00 0.00 C ATOM 1478 NZ LYS A 95 -17.538 7.033 -9.838 1.00 0.00 N ATOM 0 H LYS A 95 -14.513 7.508 -4.946 1.00 0.00 H new ATOM 0 HA LYS A 95 -15.556 10.218 -5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -16.813 7.473 -5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -17.768 8.942 -5.089 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.963 9.510 -7.363 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -15.985 8.056 -7.387 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -17.925 6.631 -7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -18.986 7.966 -6.931 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -19.403 7.808 -9.198 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -18.100 8.979 -9.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -17.735 7.235 -10.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -16.526 7.181 -9.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -17.789 6.046 -9.628 1.00 0.00 H new ATOM 1492 N GLU A 96 -15.165 8.827 -2.576 1.00 0.00 N ATOM 1493 CA GLU A 96 -15.284 9.009 -1.134 1.00 0.00 C ATOM 1494 C GLU A 96 -13.920 9.282 -0.506 1.00 0.00 C ATOM 1495 O GLU A 96 -13.012 8.455 -0.585 1.00 0.00 O ATOM 1496 CB GLU A 96 -15.914 7.771 -0.492 1.00 0.00 C ATOM 1497 CG GLU A 96 -17.411 7.657 -0.731 1.00 0.00 C ATOM 1498 CD GLU A 96 -18.227 8.356 0.339 1.00 0.00 C ATOM 1499 OE1 GLU A 96 -17.894 8.202 1.533 1.00 0.00 O ATOM 1500 OE2 GLU A 96 -19.198 9.055 -0.017 1.00 0.00 O ATOM 0 H GLU A 96 -14.505 8.102 -2.857 1.00 0.00 H new ATOM 0 HA GLU A 96 -15.927 9.870 -0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.423 6.880 -0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.727 7.793 0.582 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -17.653 8.084 -1.704 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.691 6.604 -0.766 1.00 0.00 H new ATOM 1507 N GLN A 97 -13.785 10.448 0.117 1.00 0.00 N ATOM 1508 CA GLN A 97 -12.533 10.831 0.757 1.00 0.00 C ATOM 1509 C GLN A 97 -11.958 9.672 1.565 1.00 0.00 C ATOM 1510 O GLN A 97 -12.555 9.232 2.548 1.00 0.00 O ATOM 1511 CB GLN A 97 -12.749 12.043 1.665 1.00 0.00 C ATOM 1512 CG GLN A 97 -14.080 12.023 2.399 1.00 0.00 C ATOM 1513 CD GLN A 97 -14.181 13.108 3.454 1.00 0.00 C ATOM 1514 OE1 GLN A 97 -14.521 12.840 4.606 1.00 0.00 O ATOM 1515 NE2 GLN A 97 -13.885 14.343 3.064 1.00 0.00 N ATOM 0 H GLN A 97 -14.527 11.144 0.192 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.821 11.094 -0.025 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.941 12.088 2.395 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.688 12.951 1.066 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.889 12.145 1.679 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -14.216 11.050 2.870 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.608 14.520 2.099 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.935 15.114 3.730 1.00 0.00 H new ATOM 1524 N ILE A 98 -10.796 9.183 1.145 1.00 0.00 N ATOM 1525 CA ILE A 98 -10.141 8.076 1.830 1.00 0.00 C ATOM 1526 C ILE A 98 -9.528 8.532 3.150 1.00 0.00 C ATOM 1527 O ILE A 98 -9.332 7.732 4.065 1.00 0.00 O ATOM 1528 CB ILE A 98 -9.040 7.446 0.956 1.00 0.00 C ATOM 1529 CG1 ILE A 98 -8.233 6.431 1.769 1.00 0.00 C ATOM 1530 CG2 ILE A 98 -8.130 8.525 0.391 1.00 0.00 C ATOM 1531 CD1 ILE A 98 -7.244 5.643 0.939 1.00 0.00 C ATOM 0 H ILE A 98 -10.289 9.536 0.334 1.00 0.00 H new ATOM 0 HA ILE A 98 -10.909 7.328 2.028 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.511 6.924 0.123 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.696 6.955 2.559 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -8.920 5.739 2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.357 8.064 -0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.716 9.213 -0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.663 9.073 1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.707 4.943 1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.777 5.091 0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.534 6.326 0.473 1.00 0.00 H new ATOM 1543 N VAL A 99 -9.228 9.824 3.242 1.00 0.00 N ATOM 1544 CA VAL A 99 -8.640 10.388 4.451 1.00 0.00 C ATOM 1545 C VAL A 99 -9.551 11.446 5.063 1.00 0.00 C ATOM 1546 O VAL A 99 -10.668 11.663 4.594 1.00 0.00 O ATOM 1547 CB VAL A 99 -7.263 11.016 4.165 1.00 0.00 C ATOM 1548 CG1 VAL A 99 -6.368 10.922 5.391 1.00 0.00 C ATOM 1549 CG2 VAL A 99 -6.610 10.344 2.966 1.00 0.00 C ATOM 0 H VAL A 99 -9.383 10.500 2.494 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.517 9.566 5.156 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.406 12.070 3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.400 11.371 5.170 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.833 11.453 6.222 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.230 9.875 5.661 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.638 10.800 2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.479 9.282 3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.245 10.468 2.089 1.00 0.00 H new ATOM 1559 N GLU A 100 -9.066 12.102 6.113 1.00 0.00 N ATOM 1560 CA GLU A 100 -9.838 13.137 6.789 1.00 0.00 C ATOM 1561 C GLU A 100 -9.713 14.472 6.061 1.00 0.00 C ATOM 1562 O GLU A 100 -9.638 15.529 6.686 1.00 0.00 O ATOM 1563 CB GLU A 100 -9.369 13.289 8.238 1.00 0.00 C ATOM 1564 CG GLU A 100 -8.003 13.940 8.371 1.00 0.00 C ATOM 1565 CD GLU A 100 -7.281 13.529 9.640 1.00 0.00 C ATOM 1566 OE1 GLU A 100 -7.783 13.847 10.738 1.00 0.00 O ATOM 1567 OE2 GLU A 100 -6.214 12.889 9.533 1.00 0.00 O ATOM 0 H GLU A 100 -8.143 11.935 6.513 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.885 12.836 6.782 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.100 13.883 8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.340 12.305 8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.393 13.674 7.508 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.119 15.024 8.358 1.00 0.00 H new ATOM 1574 N GLY A 101 -9.692 14.415 4.732 1.00 0.00 N ATOM 1575 CA GLY A 101 -9.575 15.625 3.940 1.00 0.00 C ATOM 1576 C GLY A 101 -8.701 15.435 2.716 1.00 0.00 C ATOM 1577 O GLY A 101 -7.977 16.345 2.314 1.00 0.00 O ATOM 0 H GLY A 101 -9.754 13.553 4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.568 15.948 3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.161 16.421 4.558 1.00 0.00 H new ATOM 1581 N TYR A 102 -8.767 14.248 2.123 1.00 0.00 N ATOM 1582 CA TYR A 102 -7.973 13.939 0.940 1.00 0.00 C ATOM 1583 C TYR A 102 -8.686 12.923 0.054 1.00 0.00 C ATOM 1584 O TYR A 102 -9.420 12.063 0.542 1.00 0.00 O ATOM 1585 CB TYR A 102 -6.600 13.402 1.348 1.00 0.00 C ATOM 1586 CG TYR A 102 -5.798 14.367 2.191 1.00 0.00 C ATOM 1587 CD1 TYR A 102 -6.177 14.663 3.494 1.00 0.00 C ATOM 1588 CD2 TYR A 102 -4.660 14.983 1.684 1.00 0.00 C ATOM 1589 CE1 TYR A 102 -5.447 15.545 4.267 1.00 0.00 C ATOM 1590 CE2 TYR A 102 -3.923 15.865 2.450 1.00 0.00 C ATOM 1591 CZ TYR A 102 -4.321 16.143 3.741 1.00 0.00 C ATOM 1592 OH TYR A 102 -3.590 17.022 4.508 1.00 0.00 O ATOM 0 H TYR A 102 -9.362 13.484 2.442 1.00 0.00 H new ATOM 0 HA TYR A 102 -7.842 14.860 0.372 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -6.733 12.473 1.902 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.033 13.159 0.450 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -7.057 14.196 3.910 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -4.346 14.768 0.673 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.756 15.765 5.278 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.041 16.334 2.041 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.497 17.873 4.031 1.00 0.00 H new ATOM 1602 N TYR A 103 -8.465 13.028 -1.252 1.00 0.00 N ATOM 1603 CA TYR A 103 -9.088 12.121 -2.208 1.00 0.00 C ATOM 1604 C TYR A 103 -8.039 11.474 -3.108 1.00 0.00 C ATOM 1605 O TYR A 103 -6.880 11.890 -3.129 1.00 0.00 O ATOM 1606 CB TYR A 103 -10.115 12.869 -3.060 1.00 0.00 C ATOM 1607 CG TYR A 103 -11.406 13.164 -2.331 1.00 0.00 C ATOM 1608 CD1 TYR A 103 -11.522 14.277 -1.506 1.00 0.00 C ATOM 1609 CD2 TYR A 103 -12.509 12.331 -2.466 1.00 0.00 C ATOM 1610 CE1 TYR A 103 -12.700 14.550 -0.838 1.00 0.00 C ATOM 1611 CE2 TYR A 103 -13.691 12.597 -1.803 1.00 0.00 C ATOM 1612 CZ TYR A 103 -13.782 13.708 -0.989 1.00 0.00 C ATOM 1613 OH TYR A 103 -14.957 13.976 -0.326 1.00 0.00 O ATOM 0 H TYR A 103 -7.859 13.732 -1.672 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.595 11.336 -1.647 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -9.677 13.807 -3.401 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.336 12.279 -3.949 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -10.677 14.939 -1.385 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -12.441 11.460 -3.101 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -12.773 15.419 -0.200 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -14.539 11.939 -1.921 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.619 13.286 -0.542 1.00 0.00 H new ATOM 1623 N LEU A 104 -8.454 10.453 -3.850 1.00 0.00 N ATOM 1624 CA LEU A 104 -7.552 9.747 -4.753 1.00 0.00 C ATOM 1625 C LEU A 104 -7.647 10.310 -6.167 1.00 0.00 C ATOM 1626 O LEU A 104 -8.436 9.835 -6.985 1.00 0.00 O ATOM 1627 CB LEU A 104 -7.876 8.252 -4.764 1.00 0.00 C ATOM 1628 CG LEU A 104 -7.528 7.480 -3.491 1.00 0.00 C ATOM 1629 CD1 LEU A 104 -7.894 6.012 -3.640 1.00 0.00 C ATOM 1630 CD2 LEU A 104 -6.049 7.632 -3.163 1.00 0.00 C ATOM 0 H LEU A 104 -9.409 10.096 -3.844 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.533 9.889 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.942 8.133 -4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.348 7.792 -5.599 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.108 7.896 -2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.639 5.479 -2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.964 5.921 -3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.342 5.582 -4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.819 7.076 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.452 7.243 -3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.816 8.686 -3.012 1.00 0.00 H new ATOM 1642 N LYS A 105 -6.837 11.325 -6.450 1.00 0.00 N ATOM 1643 CA LYS A 105 -6.826 11.951 -7.767 1.00 0.00 C ATOM 1644 C LYS A 105 -6.321 10.979 -8.828 1.00 0.00 C ATOM 1645 O LYS A 105 -7.058 10.605 -9.740 1.00 0.00 O ATOM 1646 CB LYS A 105 -5.949 13.205 -7.750 1.00 0.00 C ATOM 1647 CG LYS A 105 -6.654 14.433 -7.201 1.00 0.00 C ATOM 1648 CD LYS A 105 -7.417 15.171 -8.289 1.00 0.00 C ATOM 1649 CE LYS A 105 -7.965 16.497 -7.784 1.00 0.00 C ATOM 1650 NZ LYS A 105 -9.107 16.976 -8.612 1.00 0.00 N ATOM 0 H LYS A 105 -6.179 11.732 -5.785 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.849 12.233 -8.016 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.060 13.008 -7.151 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.609 13.414 -8.764 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.343 14.135 -6.410 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.922 15.103 -6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.759 15.348 -9.140 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.238 14.549 -8.645 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.288 16.386 -6.749 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.172 17.245 -7.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.452 17.882 -8.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.793 17.106 -9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.874 16.275 -8.584 1.00 0.00 H new ATOM 1664 N GLU A 106 -5.062 10.573 -8.701 1.00 0.00 N ATOM 1665 CA GLU A 106 -4.460 9.643 -9.650 1.00 0.00 C ATOM 1666 C GLU A 106 -3.324 8.860 -8.998 1.00 0.00 C ATOM 1667 O GLU A 106 -2.553 9.387 -8.197 1.00 0.00 O ATOM 1668 CB GLU A 106 -3.938 10.397 -10.875 1.00 0.00 C ATOM 1669 CG GLU A 106 -3.165 11.659 -10.529 1.00 0.00 C ATOM 1670 CD GLU A 106 -2.401 12.218 -11.713 1.00 0.00 C ATOM 1671 OE1 GLU A 106 -1.878 11.414 -12.514 1.00 0.00 O ATOM 1672 OE2 GLU A 106 -2.325 13.457 -11.840 1.00 0.00 O ATOM 0 H GLU A 106 -4.439 10.873 -7.951 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.229 8.938 -9.967 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.294 9.734 -11.452 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.780 10.661 -11.515 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -3.858 12.415 -10.159 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.467 11.443 -9.720 1.00 0.00 H new ATOM 1679 N PRO A 107 -3.219 7.569 -9.349 1.00 0.00 N ATOM 1680 CA PRO A 107 -2.181 6.685 -8.811 1.00 0.00 C ATOM 1681 C PRO A 107 -0.791 7.041 -9.327 1.00 0.00 C ATOM 1682 O PRO A 107 -0.648 7.639 -10.393 1.00 0.00 O ATOM 1683 CB PRO A 107 -2.600 5.301 -9.312 1.00 0.00 C ATOM 1684 CG PRO A 107 -3.399 5.568 -10.540 1.00 0.00 C ATOM 1685 CD PRO A 107 -4.104 6.875 -10.299 1.00 0.00 C ATOM 0 HA PRO A 107 -2.107 6.756 -7.726 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -1.732 4.680 -9.532 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -3.189 4.771 -8.564 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -2.756 5.627 -11.418 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -4.115 4.766 -10.722 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -4.226 7.442 -11.222 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -5.100 6.724 -9.883 1.00 0.00 H new ATOM 1693 N VAL A 108 0.232 6.668 -8.564 1.00 0.00 N ATOM 1694 CA VAL A 108 1.611 6.946 -8.946 1.00 0.00 C ATOM 1695 C VAL A 108 2.016 6.138 -10.174 1.00 0.00 C ATOM 1696 O VAL A 108 1.916 4.911 -10.201 1.00 0.00 O ATOM 1697 CB VAL A 108 2.586 6.634 -7.795 1.00 0.00 C ATOM 1698 CG1 VAL A 108 4.016 6.567 -8.309 1.00 0.00 C ATOM 1699 CG2 VAL A 108 2.456 7.671 -6.690 1.00 0.00 C ATOM 0 H VAL A 108 0.131 6.173 -7.678 1.00 0.00 H new ATOM 0 HA VAL A 108 1.666 8.009 -9.181 1.00 0.00 H new ATOM 0 HB VAL A 108 2.329 5.660 -7.379 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.690 6.346 -7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.096 5.783 -9.062 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.288 7.525 -8.753 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.152 7.435 -5.885 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.685 8.659 -7.089 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.437 7.664 -6.302 1.00 0.00 H new ATOM 1709 N PRO A 109 2.485 6.840 -11.216 1.00 0.00 N ATOM 1710 CA PRO A 109 2.915 6.207 -12.467 1.00 0.00 C ATOM 1711 C PRO A 109 4.203 5.409 -12.299 1.00 0.00 C ATOM 1712 O PRO A 109 5.011 5.694 -11.415 1.00 0.00 O ATOM 1713 CB PRO A 109 3.140 7.395 -13.405 1.00 0.00 C ATOM 1714 CG PRO A 109 3.437 8.542 -12.501 1.00 0.00 C ATOM 1715 CD PRO A 109 2.631 8.304 -11.254 1.00 0.00 C ATOM 0 HA PRO A 109 2.182 5.489 -12.835 1.00 0.00 H new ATOM 0 HB2 PRO A 109 3.966 7.207 -14.090 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.258 7.590 -14.015 1.00 0.00 H new ATOM 0 HG2 PRO A 109 4.502 8.595 -12.274 1.00 0.00 H new ATOM 0 HG3 PRO A 109 3.164 9.488 -12.968 1.00 0.00 H new ATOM 0 HD2 PRO A 109 3.142 8.680 -10.368 1.00 0.00 H new ATOM 0 HD3 PRO A 109 1.663 8.803 -11.300 1.00 0.00 H new ATOM 1723 N MET A 110 4.389 4.408 -13.154 1.00 0.00 N ATOM 1724 CA MET A 110 5.581 3.570 -13.101 1.00 0.00 C ATOM 1725 C MET A 110 6.749 4.239 -13.820 1.00 0.00 C ATOM 1726 O MET A 110 6.598 5.313 -14.401 1.00 0.00 O ATOM 1727 CB MET A 110 5.298 2.203 -13.726 1.00 0.00 C ATOM 1728 CG MET A 110 3.931 1.642 -13.367 1.00 0.00 C ATOM 1729 SD MET A 110 3.275 0.546 -14.639 1.00 0.00 S ATOM 1730 CE MET A 110 3.441 1.577 -16.094 1.00 0.00 C ATOM 0 H MET A 110 3.730 4.158 -13.891 1.00 0.00 H new ATOM 0 HA MET A 110 5.852 3.434 -12.054 1.00 0.00 H new ATOM 0 HB2 MET A 110 5.375 2.285 -14.810 1.00 0.00 H new ATOM 0 HB3 MET A 110 6.066 1.500 -13.405 1.00 0.00 H new ATOM 0 HG2 MET A 110 4.002 1.098 -12.425 1.00 0.00 H new ATOM 0 HG3 MET A 110 3.235 2.466 -13.208 1.00 0.00 H new ATOM 0 HE1 MET A 110 2.607 1.389 -16.771 1.00 0.00 H new ATOM 0 HE2 MET A 110 3.439 2.626 -15.799 1.00 0.00 H new ATOM 0 HE3 MET A 110 4.378 1.345 -16.600 1.00 0.00 H new