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= -0.054 K(o=-0.079,f=-1.3!) USER MOD Set 1.2: A 102 TYR OH : rot 30:sc= -0.025 USER MOD Set 2.1: A 83 TYR OH : rot -167:sc= 0.203 USER MOD Set 2.2: A 92 HIS : no HD1:sc= -0.575 K(o=-0.37,f=-1.3) USER MOD Set 3.1: A 71 THR OG1 : rot -48:sc= 0.949 USER MOD Set 3.2: A 73 ASN : amide:sc= -3.07 K(o=-2.1,f=-3.7!) USER MOD Set 3.3: A 75 GLN :FLIP amide:sc= 0 F(o=-4.4!,f=-2.1) USER MOD Set 4.1: A 59 THR OG1 : rot -107:sc= 1.4 USER MOD Set 4.2: A 64 GLN : amide:sc= -2.05 K(o=-0.66,f=-6.7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= -0.124 K(o=-0.12,f=-1.1) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0479 K(o=-0.048,f=-1.6!) USER MOD Single : A 33 MET CE :methyl 171:sc= -5.56! (180deg=-6.36!) USER MOD Single : A 34 THR OG1 : rot -85:sc= 1.44 USER MOD Single : A 37 GLN : amide:sc= -0.119 K(o=-0.12,f=-1.1!) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -160:sc= -0.592 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 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.596 K(o=-0.6,f=-4.5!) 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 74 ASN : amide:sc= -0.206 X(o=-0.21,f=0.028) USER MOD Single : A 77 MET CE :methyl 165:sc= -0.133 (180deg=-0.519) USER MOD Single : A 78 MET CE :methyl -177:sc= -0.0119 (180deg=-0.0377) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc=-0.00653 K(o=-0.0065,f=-0.92) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 162:sc= 1.49 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0.00689 X(o=0.0069,f=-0.33) USER MOD Single : A 103 TYR OH : rot -29:sc= 0.123 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl -158:sc= -0.603 (180deg=-1.73!) USER MOD ----------------------------------------------------------------- ATOM 185 N LYS A 16 -1.576 -3.676 -13.364 1.00 0.00 N ATOM 186 CA LYS A 16 -2.123 -2.445 -12.807 1.00 0.00 C ATOM 187 C LYS A 16 -1.051 -1.364 -12.721 1.00 0.00 C ATOM 188 O LYS A 16 0.121 -1.656 -12.482 1.00 0.00 O ATOM 189 CB LYS A 16 -2.713 -2.706 -11.419 1.00 0.00 C ATOM 190 CG LYS A 16 -3.737 -3.827 -11.395 1.00 0.00 C ATOM 191 CD LYS A 16 -5.052 -3.395 -12.023 1.00 0.00 C ATOM 192 CE LYS A 16 -6.134 -4.446 -11.831 1.00 0.00 C ATOM 193 NZ LYS A 16 -7.482 -3.927 -12.192 1.00 0.00 N ATOM 0 HA LYS A 16 -2.914 -2.096 -13.470 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.904 -2.949 -10.729 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.179 -1.791 -11.054 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.344 -4.692 -11.930 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.910 -4.141 -10.366 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.376 -2.453 -11.580 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.905 -3.213 -13.088 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.905 -5.319 -12.443 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.138 -4.777 -10.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.192 -4.673 -12.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.712 -3.110 -11.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.486 -3.635 -13.190 1.00 0.00 H new ATOM 207 N ILE A 17 -1.460 -0.114 -12.914 1.00 0.00 N ATOM 208 CA ILE A 17 -0.534 1.010 -12.855 1.00 0.00 C ATOM 209 C ILE A 17 -0.295 1.450 -11.415 1.00 0.00 C ATOM 210 O ILE A 17 0.816 1.835 -11.049 1.00 0.00 O ATOM 211 CB ILE A 17 -1.054 2.211 -13.667 1.00 0.00 C ATOM 212 CG1 ILE A 17 0.009 3.309 -13.733 1.00 0.00 C ATOM 213 CG2 ILE A 17 -2.340 2.747 -13.055 1.00 0.00 C ATOM 214 CD1 ILE A 17 -0.163 4.246 -14.908 1.00 0.00 C ATOM 0 H ILE A 17 -2.426 0.145 -13.112 1.00 0.00 H new ATOM 0 HA ILE A 17 0.406 0.668 -13.289 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.269 1.878 -14.683 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.020 3.888 -12.810 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.995 2.847 -13.788 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.695 3.595 -13.640 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.098 1.963 -13.056 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.150 3.067 -12.030 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.625 4.999 -14.892 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.104 3.679 -15.837 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.134 4.736 -14.843 1.00 0.00 H new ATOM 226 N TRP A 18 -1.343 1.388 -10.602 1.00 0.00 N ATOM 227 CA TRP A 18 -1.246 1.778 -9.200 1.00 0.00 C ATOM 228 C TRP A 18 -0.501 0.722 -8.391 1.00 0.00 C ATOM 229 O TRP A 18 -0.065 0.980 -7.268 1.00 0.00 O ATOM 230 CB TRP A 18 -2.642 1.997 -8.613 1.00 0.00 C ATOM 231 CG TRP A 18 -3.593 0.878 -8.909 1.00 0.00 C ATOM 232 CD1 TRP A 18 -4.581 0.870 -9.852 1.00 0.00 C ATOM 233 CD2 TRP A 18 -3.648 -0.396 -8.259 1.00 0.00 C ATOM 234 NE1 TRP A 18 -5.247 -0.332 -9.827 1.00 0.00 N ATOM 235 CE2 TRP A 18 -4.693 -1.126 -8.858 1.00 0.00 C ATOM 236 CE3 TRP A 18 -2.914 -0.992 -7.229 1.00 0.00 C ATOM 237 CZ2 TRP A 18 -5.021 -2.420 -8.461 1.00 0.00 C ATOM 238 CZ3 TRP A 18 -3.241 -2.276 -6.835 1.00 0.00 C ATOM 239 CH2 TRP A 18 -4.286 -2.979 -7.450 1.00 0.00 C ATOM 0 H TRP A 18 -2.269 1.072 -10.889 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.686 2.711 -9.146 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.559 2.118 -7.533 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.052 2.927 -9.007 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.806 1.689 -10.520 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -6.027 -0.591 -10.432 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.106 -0.459 -6.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.826 -2.963 -8.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.682 -2.746 -6.039 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.516 -3.981 -7.120 1.00 0.00 H new ATOM 250 N PHE A 19 -0.357 -0.466 -8.967 1.00 0.00 N ATOM 251 CA PHE A 19 0.336 -1.562 -8.299 1.00 0.00 C ATOM 252 C PHE A 19 1.847 -1.426 -8.456 1.00 0.00 C ATOM 253 O PHE A 19 2.348 -1.170 -9.552 1.00 0.00 O ATOM 254 CB PHE A 19 -0.129 -2.906 -8.862 1.00 0.00 C ATOM 255 CG PHE A 19 0.433 -4.090 -8.128 1.00 0.00 C ATOM 256 CD1 PHE A 19 0.125 -4.306 -6.794 1.00 0.00 C ATOM 257 CD2 PHE A 19 1.270 -4.987 -8.771 1.00 0.00 C ATOM 258 CE1 PHE A 19 0.641 -5.394 -6.117 1.00 0.00 C ATOM 259 CE2 PHE A 19 1.790 -6.077 -8.099 1.00 0.00 C ATOM 260 CZ PHE A 19 1.474 -6.281 -6.770 1.00 0.00 C ATOM 0 H PHE A 19 -0.711 -0.695 -9.896 1.00 0.00 H new ATOM 0 HA PHE A 19 0.094 -1.518 -7.237 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.218 -2.949 -8.825 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.157 -2.970 -9.912 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.526 -3.616 -6.278 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.519 -4.833 -9.810 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.393 -5.551 -5.078 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.442 -6.768 -8.612 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.878 -7.133 -6.242 1.00 0.00 H new ATOM 270 N HIS A 20 2.569 -1.599 -7.354 1.00 0.00 N ATOM 271 CA HIS A 20 4.024 -1.496 -7.368 1.00 0.00 C ATOM 272 C HIS A 20 4.658 -2.644 -6.589 1.00 0.00 C ATOM 273 O HIS A 20 4.867 -2.546 -5.380 1.00 0.00 O ATOM 274 CB HIS A 20 4.468 -0.157 -6.779 1.00 0.00 C ATOM 275 CG HIS A 20 4.546 0.946 -7.789 1.00 0.00 C ATOM 276 ND1 HIS A 20 5.667 1.186 -8.556 1.00 0.00 N ATOM 277 CD2 HIS A 20 3.634 1.876 -8.157 1.00 0.00 C ATOM 278 CE1 HIS A 20 5.441 2.217 -9.351 1.00 0.00 C ATOM 279 NE2 HIS A 20 4.214 2.653 -9.129 1.00 0.00 N ATOM 0 H HIS A 20 2.170 -1.811 -6.439 1.00 0.00 H new ATOM 0 HA HIS A 20 4.357 -1.556 -8.404 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.773 0.132 -5.991 1.00 0.00 H new ATOM 0 HB3 HIS A 20 5.445 -0.281 -6.313 1.00 0.00 H new ATOM 0 HD1 HIS A 20 6.535 0.651 -8.516 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.636 1.986 -7.760 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.140 2.632 -10.061 1.00 0.00 H new ATOM 287 N GLY A 21 4.961 -3.733 -7.289 1.00 0.00 N ATOM 288 CA GLY A 21 5.567 -4.884 -6.646 1.00 0.00 C ATOM 289 C GLY A 21 7.039 -5.026 -6.979 1.00 0.00 C ATOM 290 O GLY A 21 7.788 -5.678 -6.251 1.00 0.00 O ATOM 0 H GLY A 21 4.797 -3.838 -8.290 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.449 -4.797 -5.566 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.040 -5.787 -6.953 1.00 0.00 H new ATOM 294 N LYS A 22 7.455 -4.417 -8.084 1.00 0.00 N ATOM 295 CA LYS A 22 8.847 -4.479 -8.514 1.00 0.00 C ATOM 296 C LYS A 22 9.740 -3.664 -7.585 1.00 0.00 C ATOM 297 O LYS A 22 10.840 -4.092 -7.233 1.00 0.00 O ATOM 298 CB LYS A 22 8.982 -3.965 -9.950 1.00 0.00 C ATOM 299 CG LYS A 22 8.405 -4.909 -10.990 1.00 0.00 C ATOM 300 CD LYS A 22 9.379 -6.023 -11.334 1.00 0.00 C ATOM 301 CE LYS A 22 10.549 -5.507 -12.157 1.00 0.00 C ATOM 302 NZ LYS A 22 11.208 -6.597 -12.929 1.00 0.00 N ATOM 0 H LYS A 22 6.848 -3.875 -8.698 1.00 0.00 H new ATOM 0 HA LYS A 22 9.167 -5.520 -8.476 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.482 -3.000 -10.030 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.036 -3.797 -10.169 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.476 -5.339 -10.616 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.157 -4.350 -11.892 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.751 -6.478 -10.416 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.859 -6.804 -11.889 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.198 -4.737 -12.844 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.278 -5.037 -11.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.000 -6.205 -13.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.565 -7.320 -12.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.519 -7.029 -13.578 1.00 0.00 H new ATOM 316 N ILE A 23 9.260 -2.489 -7.190 1.00 0.00 N ATOM 317 CA ILE A 23 10.015 -1.616 -6.300 1.00 0.00 C ATOM 318 C ILE A 23 10.258 -2.285 -4.951 1.00 0.00 C ATOM 319 O ILE A 23 9.852 -3.426 -4.730 1.00 0.00 O ATOM 320 CB ILE A 23 9.287 -0.278 -6.073 1.00 0.00 C ATOM 321 CG1 ILE A 23 8.038 -0.491 -5.215 1.00 0.00 C ATOM 322 CG2 ILE A 23 8.919 0.357 -7.405 1.00 0.00 C ATOM 323 CD1 ILE A 23 7.460 0.792 -4.660 1.00 0.00 C ATOM 0 H ILE A 23 8.352 -2.120 -7.472 1.00 0.00 H new ATOM 0 HA ILE A 23 10.972 -1.422 -6.785 1.00 0.00 H new ATOM 0 HB ILE A 23 9.958 0.398 -5.543 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.278 -0.994 -5.813 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.285 -1.157 -4.388 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.405 1.302 -7.228 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.825 0.539 -7.984 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.263 -0.314 -7.959 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.577 0.565 -4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.204 1.286 -4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.182 1.451 -5.482 1.00 0.00 H new ATOM 335 N SER A 24 10.922 -1.566 -4.051 1.00 0.00 N ATOM 336 CA SER A 24 11.221 -2.090 -2.724 1.00 0.00 C ATOM 337 C SER A 24 10.404 -1.367 -1.657 1.00 0.00 C ATOM 338 O SER A 24 9.563 -0.523 -1.968 1.00 0.00 O ATOM 339 CB SER A 24 12.714 -1.949 -2.421 1.00 0.00 C ATOM 340 OG SER A 24 13.496 -2.655 -3.369 1.00 0.00 O ATOM 0 H SER A 24 11.263 -0.619 -4.217 1.00 0.00 H new ATOM 0 HA SER A 24 10.952 -3.146 -2.709 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.992 -0.895 -2.429 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.922 -2.326 -1.420 1.00 0.00 H new ATOM 0 HG SER A 24 14.446 -2.548 -3.154 1.00 0.00 H new ATOM 346 N LYS A 25 10.657 -1.704 -0.397 1.00 0.00 N ATOM 347 CA LYS A 25 9.947 -1.088 0.717 1.00 0.00 C ATOM 348 C LYS A 25 10.393 0.357 0.914 1.00 0.00 C ATOM 349 O LYS A 25 9.585 1.225 1.244 1.00 0.00 O ATOM 350 CB LYS A 25 10.184 -1.885 2.002 1.00 0.00 C ATOM 351 CG LYS A 25 9.899 -1.096 3.269 1.00 0.00 C ATOM 352 CD LYS A 25 9.714 -2.012 4.467 1.00 0.00 C ATOM 353 CE LYS A 25 9.109 -1.270 5.648 1.00 0.00 C ATOM 354 NZ LYS A 25 10.153 -0.618 6.487 1.00 0.00 N ATOM 0 H LYS A 25 11.349 -2.401 -0.122 1.00 0.00 H new ATOM 0 HA LYS A 25 8.882 -1.093 0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.555 -2.775 1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.219 -2.227 2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.720 -0.406 3.461 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.002 -0.493 3.129 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.070 -2.847 4.192 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.677 -2.434 4.756 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.412 -0.515 5.284 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.535 -1.966 6.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.700 -0.123 7.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.804 -1.341 6.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.685 0.065 5.911 1.00 0.00 H new ATOM 368 N GLN A 26 11.682 0.608 0.708 1.00 0.00 N ATOM 369 CA GLN A 26 12.233 1.949 0.862 1.00 0.00 C ATOM 370 C GLN A 26 11.960 2.795 -0.377 1.00 0.00 C ATOM 371 O GLN A 26 11.437 3.904 -0.279 1.00 0.00 O ATOM 372 CB GLN A 26 13.738 1.877 1.124 1.00 0.00 C ATOM 373 CG GLN A 26 14.524 1.244 -0.012 1.00 0.00 C ATOM 374 CD GLN A 26 15.883 0.737 0.429 1.00 0.00 C ATOM 375 OE1 GLN A 26 16.705 1.497 0.942 1.00 0.00 O ATOM 376 NE2 GLN A 26 16.128 -0.553 0.231 1.00 0.00 N ATOM 0 H GLN A 26 12.364 -0.099 0.434 1.00 0.00 H new ATOM 0 HA GLN A 26 11.745 2.420 1.715 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.116 2.884 1.299 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.913 1.308 2.037 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.950 0.417 -0.429 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.655 1.975 -0.810 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.418 -1.147 -0.198 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.026 -0.950 0.508 1.00 0.00 H new ATOM 385 N GLU A 27 12.318 2.263 -1.542 1.00 0.00 N ATOM 386 CA GLU A 27 12.113 2.971 -2.799 1.00 0.00 C ATOM 387 C GLU A 27 10.738 3.632 -2.833 1.00 0.00 C ATOM 388 O GLU A 27 10.599 4.779 -3.257 1.00 0.00 O ATOM 389 CB GLU A 27 12.258 2.010 -3.981 1.00 0.00 C ATOM 390 CG GLU A 27 13.682 1.895 -4.500 1.00 0.00 C ATOM 391 CD GLU A 27 14.700 1.757 -3.385 1.00 0.00 C ATOM 392 OE1 GLU A 27 15.100 2.793 -2.815 1.00 0.00 O ATOM 393 OE2 GLU A 27 15.096 0.612 -3.083 1.00 0.00 O ATOM 0 H GLU A 27 12.751 1.345 -1.640 1.00 0.00 H new ATOM 0 HA GLU A 27 12.873 3.748 -2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.909 1.022 -3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.610 2.344 -4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.755 1.032 -5.162 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.919 2.776 -5.097 1.00 0.00 H new ATOM 400 N ALA A 28 9.724 2.899 -2.385 1.00 0.00 N ATOM 401 CA ALA A 28 8.361 3.413 -2.362 1.00 0.00 C ATOM 402 C ALA A 28 8.302 4.785 -1.698 1.00 0.00 C ATOM 403 O ALA A 28 7.599 5.681 -2.165 1.00 0.00 O ATOM 404 CB ALA A 28 7.440 2.437 -1.644 1.00 0.00 C ATOM 0 H ALA A 28 9.821 1.947 -2.033 1.00 0.00 H new ATOM 0 HA ALA A 28 8.024 3.522 -3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.425 2.834 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.450 1.479 -2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.785 2.298 -0.619 1.00 0.00 H new ATOM 410 N TYR A 29 9.044 4.941 -0.608 1.00 0.00 N ATOM 411 CA TYR A 29 9.074 6.203 0.122 1.00 0.00 C ATOM 412 C TYR A 29 9.630 7.324 -0.751 1.00 0.00 C ATOM 413 O TYR A 29 9.120 8.444 -0.742 1.00 0.00 O ATOM 414 CB TYR A 29 9.918 6.063 1.390 1.00 0.00 C ATOM 415 CG TYR A 29 9.125 5.624 2.600 1.00 0.00 C ATOM 416 CD1 TYR A 29 8.079 6.398 3.088 1.00 0.00 C ATOM 417 CD2 TYR A 29 9.421 4.435 3.255 1.00 0.00 C ATOM 418 CE1 TYR A 29 7.352 6.001 4.193 1.00 0.00 C ATOM 419 CE2 TYR A 29 8.698 4.030 4.361 1.00 0.00 C ATOM 420 CZ TYR A 29 7.665 4.816 4.826 1.00 0.00 C ATOM 421 OH TYR A 29 6.943 4.416 5.927 1.00 0.00 O ATOM 0 H TYR A 29 9.633 4.209 -0.210 1.00 0.00 H new ATOM 0 HA TYR A 29 8.051 6.457 0.400 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.715 5.343 1.208 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.395 7.019 1.606 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.830 7.326 2.595 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.230 3.817 2.894 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.543 6.615 4.560 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.941 3.103 4.858 1.00 0.00 H new ATOM 0 HH TYR A 29 7.291 3.560 6.253 1.00 0.00 H new ATOM 431 N ASN A 30 10.679 7.013 -1.505 1.00 0.00 N ATOM 432 CA ASN A 30 11.305 7.994 -2.385 1.00 0.00 C ATOM 433 C ASN A 30 10.447 8.241 -3.622 1.00 0.00 C ATOM 434 O ASN A 30 10.438 9.341 -4.175 1.00 0.00 O ATOM 435 CB ASN A 30 12.698 7.518 -2.803 1.00 0.00 C ATOM 436 CG ASN A 30 13.557 8.647 -3.340 1.00 0.00 C ATOM 437 OD1 ASN A 30 13.316 9.818 -3.048 1.00 0.00 O ATOM 438 ND2 ASN A 30 14.567 8.298 -4.129 1.00 0.00 N ATOM 0 H ASN A 30 11.113 6.090 -1.525 1.00 0.00 H new ATOM 0 HA ASN A 30 11.398 8.931 -1.836 1.00 0.00 H new ATOM 0 HB2 ASN A 30 13.195 7.062 -1.947 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.601 6.744 -3.565 1.00 0.00 H new ATOM 0 HD21 ASN A 30 15.180 9.014 -4.519 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.730 7.314 -4.344 1.00 0.00 H new ATOM 445 N LEU A 31 9.727 7.210 -4.051 1.00 0.00 N ATOM 446 CA LEU A 31 8.865 7.315 -5.223 1.00 0.00 C ATOM 447 C LEU A 31 7.710 8.277 -4.965 1.00 0.00 C ATOM 448 O LEU A 31 7.558 9.282 -5.661 1.00 0.00 O ATOM 449 CB LEU A 31 8.320 5.937 -5.604 1.00 0.00 C ATOM 450 CG LEU A 31 9.331 4.957 -6.201 1.00 0.00 C ATOM 451 CD1 LEU A 31 8.727 3.565 -6.306 1.00 0.00 C ATOM 452 CD2 LEU A 31 9.800 5.441 -7.566 1.00 0.00 C ATOM 0 H LEU A 31 9.723 6.293 -3.605 1.00 0.00 H new ATOM 0 HA LEU A 31 9.461 7.705 -6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.885 5.482 -4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.510 6.074 -6.321 1.00 0.00 H new ATOM 0 HG LEU A 31 10.195 4.907 -5.538 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.461 2.881 -6.733 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.441 3.217 -5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.846 3.598 -6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.519 4.732 -7.976 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.945 5.520 -8.237 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.272 6.418 -7.463 1.00 0.00 H new ATOM 464 N LEU A 32 6.900 7.965 -3.960 1.00 0.00 N ATOM 465 CA LEU A 32 5.759 8.803 -3.608 1.00 0.00 C ATOM 466 C LEU A 32 6.214 10.204 -3.213 1.00 0.00 C ATOM 467 O LEU A 32 5.414 11.138 -3.167 1.00 0.00 O ATOM 468 CB LEU A 32 4.970 8.169 -2.461 1.00 0.00 C ATOM 469 CG LEU A 32 3.986 7.066 -2.853 1.00 0.00 C ATOM 470 CD1 LEU A 32 3.667 6.185 -1.655 1.00 0.00 C ATOM 471 CD2 LEU A 32 2.712 7.668 -3.429 1.00 0.00 C ATOM 0 H LEU A 32 7.012 7.138 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 32 5.115 8.883 -4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.679 7.757 -1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.417 8.956 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 32 4.451 6.447 -3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.965 5.406 -1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.584 5.726 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.222 6.791 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.023 6.869 -3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.244 8.311 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.955 8.256 -4.314 1.00 0.00 H new ATOM 483 N MET A 33 7.506 10.344 -2.931 1.00 0.00 N ATOM 484 CA MET A 33 8.068 11.632 -2.543 1.00 0.00 C ATOM 485 C MET A 33 8.609 12.377 -3.760 1.00 0.00 C ATOM 486 O MET A 33 8.788 13.595 -3.726 1.00 0.00 O ATOM 487 CB MET A 33 9.182 11.437 -1.513 1.00 0.00 C ATOM 488 CG MET A 33 8.689 11.452 -0.075 1.00 0.00 C ATOM 489 SD MET A 33 8.694 13.105 0.645 1.00 0.00 S ATOM 490 CE MET A 33 7.567 13.956 -0.457 1.00 0.00 C ATOM 0 H MET A 33 8.182 9.581 -2.964 1.00 0.00 H new ATOM 0 HA MET A 33 7.272 12.229 -2.097 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.683 10.489 -1.707 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.926 12.223 -1.642 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.678 11.047 -0.038 1.00 0.00 H new ATOM 0 HG3 MET A 33 9.318 10.796 0.527 1.00 0.00 H new ATOM 0 HE1 MET A 33 7.340 14.943 -0.054 1.00 0.00 H new ATOM 0 HE2 MET A 33 8.029 14.062 -1.439 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.646 13.381 -0.550 1.00 0.00 H new ATOM 500 N THR A 34 8.869 11.638 -4.834 1.00 0.00 N ATOM 501 CA THR A 34 9.391 12.228 -6.060 1.00 0.00 C ATOM 502 C THR A 34 8.376 12.129 -7.193 1.00 0.00 C ATOM 503 O THR A 34 7.752 13.121 -7.569 1.00 0.00 O ATOM 504 CB THR A 34 10.701 11.546 -6.498 1.00 0.00 C ATOM 505 OG1 THR A 34 10.466 10.159 -6.764 1.00 0.00 O ATOM 506 CG2 THR A 34 11.770 11.688 -5.425 1.00 0.00 C ATOM 0 H THR A 34 8.726 10.629 -4.879 1.00 0.00 H new ATOM 0 HA THR A 34 9.591 13.278 -5.846 1.00 0.00 H new ATOM 0 HB THR A 34 11.053 12.035 -7.406 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.533 9.650 -5.929 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.686 11.199 -5.757 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.968 12.745 -5.246 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.424 11.222 -4.502 1.00 0.00 H new ATOM 514 N VAL A 35 8.216 10.925 -7.734 1.00 0.00 N ATOM 515 CA VAL A 35 7.275 10.696 -8.824 1.00 0.00 C ATOM 516 C VAL A 35 5.837 10.901 -8.360 1.00 0.00 C ATOM 517 O VAL A 35 4.940 11.132 -9.170 1.00 0.00 O ATOM 518 CB VAL A 35 7.420 9.276 -9.401 1.00 0.00 C ATOM 519 CG1 VAL A 35 8.851 9.026 -9.852 1.00 0.00 C ATOM 520 CG2 VAL A 35 6.985 8.238 -8.377 1.00 0.00 C ATOM 0 H VAL A 35 8.726 10.094 -7.435 1.00 0.00 H new ATOM 0 HA VAL A 35 7.509 11.422 -9.603 1.00 0.00 H new ATOM 0 HB VAL A 35 6.770 9.188 -10.272 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.934 8.017 -10.257 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.122 9.749 -10.621 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.524 9.132 -9.001 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.094 7.240 -8.802 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.607 8.323 -7.486 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.942 8.406 -8.109 1.00 0.00 H new ATOM 530 N GLY A 36 5.625 10.814 -7.050 1.00 0.00 N ATOM 531 CA GLY A 36 4.294 10.993 -6.501 1.00 0.00 C ATOM 532 C GLY A 36 4.058 12.403 -5.999 1.00 0.00 C ATOM 533 O GLY A 36 4.890 13.287 -6.200 1.00 0.00 O ATOM 0 H GLY A 36 6.351 10.623 -6.360 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.554 10.754 -7.265 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.145 10.289 -5.682 1.00 0.00 H new ATOM 537 N GLN A 37 2.919 12.615 -5.347 1.00 0.00 N ATOM 538 CA GLN A 37 2.576 13.930 -4.818 1.00 0.00 C ATOM 539 C GLN A 37 1.602 13.809 -3.650 1.00 0.00 C ATOM 540 O GLN A 37 1.206 12.707 -3.270 1.00 0.00 O ATOM 541 CB GLN A 37 1.967 14.802 -5.917 1.00 0.00 C ATOM 542 CG GLN A 37 3.002 15.544 -6.747 1.00 0.00 C ATOM 543 CD GLN A 37 2.447 16.806 -7.380 1.00 0.00 C ATOM 544 OE1 GLN A 37 1.637 17.511 -6.778 1.00 0.00 O ATOM 545 NE2 GLN A 37 2.882 17.097 -8.600 1.00 0.00 N ATOM 0 H GLN A 37 2.219 11.894 -5.173 1.00 0.00 H new ATOM 0 HA GLN A 37 3.491 14.399 -4.457 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.366 14.175 -6.576 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.291 15.526 -5.462 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.852 15.802 -6.115 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.376 14.884 -7.529 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.554 16.484 -9.062 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.544 17.934 -9.076 1.00 0.00 H new ATOM 554 N VAL A 38 1.218 14.950 -3.085 1.00 0.00 N ATOM 555 CA VAL A 38 0.290 14.972 -1.962 1.00 0.00 C ATOM 556 C VAL A 38 -1.078 14.436 -2.368 1.00 0.00 C ATOM 557 O VAL A 38 -1.965 14.269 -1.530 1.00 0.00 O ATOM 558 CB VAL A 38 0.125 16.396 -1.398 1.00 0.00 C ATOM 559 CG1 VAL A 38 -0.602 16.361 -0.062 1.00 0.00 C ATOM 560 CG2 VAL A 38 1.479 17.074 -1.260 1.00 0.00 C ATOM 0 H VAL A 38 1.536 15.871 -3.387 1.00 0.00 H new ATOM 0 HA VAL A 38 0.713 14.330 -1.189 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.477 16.977 -2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.709 17.376 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.589 15.918 -0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.030 15.764 0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.344 18.079 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.108 16.496 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.957 17.134 -2.238 1.00 0.00 H new ATOM 570 N CYS A 39 -1.242 14.168 -3.659 1.00 0.00 N ATOM 571 CA CYS A 39 -2.504 13.651 -4.178 1.00 0.00 C ATOM 572 C CYS A 39 -2.279 12.372 -4.978 1.00 0.00 C ATOM 573 O CYS A 39 -3.057 12.044 -5.874 1.00 0.00 O ATOM 574 CB CYS A 39 -3.188 14.701 -5.054 1.00 0.00 C ATOM 575 SG CYS A 39 -3.944 16.057 -4.126 1.00 0.00 S ATOM 0 H CYS A 39 -0.518 14.300 -4.365 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.149 13.420 -3.331 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.455 15.114 -5.747 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.956 14.213 -5.655 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.495 16.895 -4.953 1.00 0.00 H new ATOM 581 N SER A 40 -1.208 11.655 -4.650 1.00 0.00 N ATOM 582 CA SER A 40 -0.878 10.415 -5.342 1.00 0.00 C ATOM 583 C SER A 40 -0.741 9.261 -4.354 1.00 0.00 C ATOM 584 O SER A 40 -0.372 9.461 -3.196 1.00 0.00 O ATOM 585 CB SER A 40 0.421 10.579 -6.135 1.00 0.00 C ATOM 586 OG SER A 40 0.590 11.919 -6.565 1.00 0.00 O ATOM 0 H SER A 40 -0.555 11.912 -3.910 1.00 0.00 H new ATOM 0 HA SER A 40 -1.690 10.186 -6.032 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.268 10.283 -5.517 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.409 9.915 -6.999 1.00 0.00 H new ATOM 0 HG SER A 40 1.225 11.946 -7.311 1.00 0.00 H new ATOM 592 N PHE A 41 -1.041 8.053 -4.819 1.00 0.00 N ATOM 593 CA PHE A 41 -0.953 6.866 -3.977 1.00 0.00 C ATOM 594 C PHE A 41 -0.372 5.689 -4.755 1.00 0.00 C ATOM 595 O PHE A 41 -0.164 5.772 -5.966 1.00 0.00 O ATOM 596 CB PHE A 41 -2.334 6.499 -3.431 1.00 0.00 C ATOM 597 CG PHE A 41 -3.243 5.889 -4.459 1.00 0.00 C ATOM 598 CD1 PHE A 41 -3.953 6.691 -5.338 1.00 0.00 C ATOM 599 CD2 PHE A 41 -3.386 4.514 -4.548 1.00 0.00 C ATOM 600 CE1 PHE A 41 -4.791 6.132 -6.285 1.00 0.00 C ATOM 601 CE2 PHE A 41 -4.222 3.949 -5.493 1.00 0.00 C ATOM 602 CZ PHE A 41 -4.924 4.759 -6.364 1.00 0.00 C ATOM 0 H PHE A 41 -1.347 7.870 -5.775 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.288 7.091 -3.143 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.214 5.800 -2.603 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.806 7.395 -3.027 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.851 7.765 -5.283 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.838 3.876 -3.871 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.341 6.768 -6.963 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.326 2.876 -5.550 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.575 4.320 -7.105 1.00 0.00 H new ATOM 612 N LEU A 42 -0.111 4.593 -4.051 1.00 0.00 N ATOM 613 CA LEU A 42 0.446 3.398 -4.674 1.00 0.00 C ATOM 614 C LEU A 42 0.297 2.186 -3.759 1.00 0.00 C ATOM 615 O LEU A 42 0.456 2.291 -2.543 1.00 0.00 O ATOM 616 CB LEU A 42 1.922 3.616 -5.013 1.00 0.00 C ATOM 617 CG LEU A 42 2.920 3.313 -3.895 1.00 0.00 C ATOM 618 CD1 LEU A 42 3.020 1.813 -3.663 1.00 0.00 C ATOM 619 CD2 LEU A 42 4.286 3.895 -4.227 1.00 0.00 C ATOM 0 H LEU A 42 -0.276 4.507 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.108 3.207 -5.593 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.172 2.995 -5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.054 4.654 -5.319 1.00 0.00 H new ATOM 0 HG LEU A 42 2.562 3.780 -2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.735 1.615 -2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.042 1.423 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.355 1.325 -4.578 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.983 3.670 -3.420 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.652 3.457 -5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.203 4.976 -4.343 1.00 0.00 H new ATOM 631 N VAL A 43 -0.007 1.037 -4.353 1.00 0.00 N ATOM 632 CA VAL A 43 -0.175 -0.196 -3.592 1.00 0.00 C ATOM 633 C VAL A 43 1.022 -1.123 -3.777 1.00 0.00 C ATOM 634 O VAL A 43 1.526 -1.287 -4.888 1.00 0.00 O ATOM 635 CB VAL A 43 -1.457 -0.942 -4.007 1.00 0.00 C ATOM 636 CG1 VAL A 43 -1.630 -2.206 -3.179 1.00 0.00 C ATOM 637 CG2 VAL A 43 -2.669 -0.033 -3.868 1.00 0.00 C ATOM 0 H VAL A 43 -0.142 0.934 -5.359 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.253 0.088 -2.542 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.367 -1.232 -5.054 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.541 -2.720 -3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.773 -2.862 -3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.700 -1.943 -2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.567 -0.575 -4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.766 0.288 -2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.544 0.840 -4.508 1.00 0.00 H new ATOM 647 N ARG A 44 1.471 -1.726 -2.682 1.00 0.00 N ATOM 648 CA ARG A 44 2.609 -2.637 -2.723 1.00 0.00 C ATOM 649 C ARG A 44 2.332 -3.891 -1.900 1.00 0.00 C ATOM 650 O ARG A 44 1.693 -3.845 -0.848 1.00 0.00 O ATOM 651 CB ARG A 44 3.866 -1.939 -2.201 1.00 0.00 C ATOM 652 CG ARG A 44 3.703 -1.350 -0.809 1.00 0.00 C ATOM 653 CD ARG A 44 5.026 -1.316 -0.060 1.00 0.00 C ATOM 654 NE ARG A 44 5.491 -2.655 0.290 1.00 0.00 N ATOM 655 CZ ARG A 44 6.472 -2.890 1.155 1.00 0.00 C ATOM 656 NH1 ARG A 44 7.087 -1.880 1.754 1.00 0.00 N ATOM 657 NH2 ARG A 44 6.839 -4.137 1.422 1.00 0.00 N ATOM 0 H ARG A 44 1.064 -1.601 -1.755 1.00 0.00 H new ATOM 0 HA ARG A 44 2.769 -2.932 -3.760 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.690 -2.653 -2.190 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.143 -1.143 -2.893 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.301 -0.340 -0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.980 -1.940 -0.246 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.778 -0.820 -0.674 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.914 -0.723 0.847 1.00 0.00 H new ATOM 0 HE ARG A 44 5.038 -3.454 -0.154 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.807 -0.920 1.551 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.840 -2.063 2.418 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.368 -4.917 0.963 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.592 -4.316 2.086 1.00 0.00 H new ATOM 671 N PRO A 45 2.821 -5.040 -2.389 1.00 0.00 N ATOM 672 CA PRO A 45 2.639 -6.329 -1.715 1.00 0.00 C ATOM 673 C PRO A 45 3.439 -6.425 -0.421 1.00 0.00 C ATOM 674 O PRO A 45 4.643 -6.167 -0.404 1.00 0.00 O ATOM 675 CB PRO A 45 3.156 -7.342 -2.740 1.00 0.00 C ATOM 676 CG PRO A 45 4.122 -6.575 -3.576 1.00 0.00 C ATOM 677 CD PRO A 45 3.592 -5.169 -3.638 1.00 0.00 C ATOM 0 HA PRO A 45 1.602 -6.492 -1.420 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.640 -8.188 -2.251 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.343 -7.745 -3.344 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.120 -6.597 -3.138 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.202 -7.006 -4.574 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.398 -4.437 -3.690 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.964 -5.014 -4.516 1.00 0.00 H new ATOM 685 N SER A 46 2.764 -6.797 0.662 1.00 0.00 N ATOM 686 CA SER A 46 3.412 -6.923 1.962 1.00 0.00 C ATOM 687 C SER A 46 4.569 -7.916 1.898 1.00 0.00 C ATOM 688 O SER A 46 4.552 -8.856 1.102 1.00 0.00 O ATOM 689 CB SER A 46 2.400 -7.370 3.018 1.00 0.00 C ATOM 690 OG SER A 46 2.812 -6.978 4.317 1.00 0.00 O ATOM 0 H SER A 46 1.768 -7.017 0.665 1.00 0.00 H new ATOM 0 HA SER A 46 3.809 -5.946 2.239 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.424 -6.938 2.797 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.285 -8.453 2.981 1.00 0.00 H new ATOM 0 HG SER A 46 2.148 -7.274 4.974 1.00 0.00 H new ATOM 757 N ASP A 52 -0.522 -10.353 1.749 1.00 0.00 N ATOM 758 CA ASP A 52 -1.064 -9.112 2.291 1.00 0.00 C ATOM 759 C ASP A 52 -0.644 -7.918 1.438 1.00 0.00 C ATOM 760 O ASP A 52 0.299 -8.006 0.651 1.00 0.00 O ATOM 761 CB ASP A 52 -0.598 -8.913 3.734 1.00 0.00 C ATOM 762 CG ASP A 52 -1.360 -7.810 4.442 1.00 0.00 C ATOM 763 OD1 ASP A 52 -2.607 -7.866 4.455 1.00 0.00 O ATOM 764 OD2 ASP A 52 -0.709 -6.891 4.982 1.00 0.00 O ATOM 0 HA ASP A 52 -2.152 -9.182 2.276 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.720 -9.846 4.284 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.466 -8.677 3.740 1.00 0.00 H new ATOM 769 N TYR A 53 -1.350 -6.805 1.600 1.00 0.00 N ATOM 770 CA TYR A 53 -1.053 -5.595 0.843 1.00 0.00 C ATOM 771 C TYR A 53 -1.246 -4.351 1.706 1.00 0.00 C ATOM 772 O TYR A 53 -1.744 -4.432 2.829 1.00 0.00 O ATOM 773 CB TYR A 53 -1.945 -5.512 -0.397 1.00 0.00 C ATOM 774 CG TYR A 53 -1.811 -6.703 -1.319 1.00 0.00 C ATOM 775 CD1 TYR A 53 -0.851 -6.725 -2.323 1.00 0.00 C ATOM 776 CD2 TYR A 53 -2.646 -7.806 -1.187 1.00 0.00 C ATOM 777 CE1 TYR A 53 -0.726 -7.810 -3.169 1.00 0.00 C ATOM 778 CE2 TYR A 53 -2.527 -8.896 -2.027 1.00 0.00 C ATOM 779 CZ TYR A 53 -1.566 -8.894 -3.016 1.00 0.00 C ATOM 780 OH TYR A 53 -1.445 -9.978 -3.855 1.00 0.00 O ATOM 0 H TYR A 53 -2.132 -6.715 2.249 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.010 -5.640 0.530 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.984 -5.422 -0.081 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.701 -4.605 -0.950 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.191 -5.879 -2.444 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.401 -7.811 -0.415 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.025 -7.810 -3.945 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.183 -9.746 -1.910 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.110 -10.655 -3.612 1.00 0.00 H new ATOM 790 N SER A 54 -0.850 -3.201 1.171 1.00 0.00 N ATOM 791 CA SER A 54 -0.976 -1.939 1.892 1.00 0.00 C ATOM 792 C SER A 54 -0.908 -0.756 0.932 1.00 0.00 C ATOM 793 O SER A 54 -0.181 -0.789 -0.062 1.00 0.00 O ATOM 794 CB SER A 54 0.126 -1.819 2.947 1.00 0.00 C ATOM 795 OG SER A 54 1.329 -2.418 2.499 1.00 0.00 O ATOM 0 H SER A 54 -0.439 -3.116 0.241 1.00 0.00 H new ATOM 0 HA SER A 54 -1.947 -1.927 2.387 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.303 -0.768 3.175 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.199 -2.296 3.872 1.00 0.00 H new ATOM 0 HG SER A 54 2.017 -2.326 3.190 1.00 0.00 H new ATOM 801 N LEU A 55 -1.670 0.289 1.236 1.00 0.00 N ATOM 802 CA LEU A 55 -1.697 1.485 0.401 1.00 0.00 C ATOM 803 C LEU A 55 -0.850 2.596 1.012 1.00 0.00 C ATOM 804 O LEU A 55 -0.783 2.739 2.234 1.00 0.00 O ATOM 805 CB LEU A 55 -3.137 1.968 0.216 1.00 0.00 C ATOM 806 CG LEU A 55 -3.339 3.109 -0.782 1.00 0.00 C ATOM 807 CD1 LEU A 55 -4.718 3.024 -1.417 1.00 0.00 C ATOM 808 CD2 LEU A 55 -3.146 4.455 -0.100 1.00 0.00 C ATOM 0 H LEU A 55 -2.277 0.332 2.054 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.278 1.229 -0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.745 1.121 -0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.519 2.288 1.185 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.592 3.014 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.844 3.844 -2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.819 2.074 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.481 3.094 -0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.294 5.255 -0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.869 4.560 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.136 4.516 0.306 1.00 0.00 H new ATOM 820 N TYR A 56 -0.206 3.381 0.156 1.00 0.00 N ATOM 821 CA TYR A 56 0.638 4.479 0.612 1.00 0.00 C ATOM 822 C TYR A 56 0.188 5.802 -0.001 1.00 0.00 C ATOM 823 O TYR A 56 0.160 5.956 -1.222 1.00 0.00 O ATOM 824 CB TYR A 56 2.100 4.210 0.254 1.00 0.00 C ATOM 825 CG TYR A 56 2.723 3.088 1.054 1.00 0.00 C ATOM 826 CD1 TYR A 56 2.178 1.810 1.036 1.00 0.00 C ATOM 827 CD2 TYR A 56 3.854 3.307 1.830 1.00 0.00 C ATOM 828 CE1 TYR A 56 2.743 0.782 1.766 1.00 0.00 C ATOM 829 CE2 TYR A 56 4.427 2.285 2.562 1.00 0.00 C ATOM 830 CZ TYR A 56 3.867 1.024 2.527 1.00 0.00 C ATOM 831 OH TYR A 56 4.434 0.004 3.256 1.00 0.00 O ATOM 0 H TYR A 56 -0.252 3.278 -0.858 1.00 0.00 H new ATOM 0 HA TYR A 56 0.544 4.550 1.696 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.167 3.969 -0.807 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.677 5.121 0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.298 1.617 0.441 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.293 4.293 1.862 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.307 -0.206 1.741 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.308 2.472 3.158 1.00 0.00 H new ATOM 0 HH TYR A 56 5.219 0.342 3.735 1.00 0.00 H new ATOM 841 N PHE A 57 -0.164 6.755 0.856 1.00 0.00 N ATOM 842 CA PHE A 57 -0.613 8.065 0.401 1.00 0.00 C ATOM 843 C PHE A 57 0.222 9.176 1.031 1.00 0.00 C ATOM 844 O PHE A 57 0.606 9.093 2.198 1.00 0.00 O ATOM 845 CB PHE A 57 -2.091 8.268 0.741 1.00 0.00 C ATOM 846 CG PHE A 57 -2.692 9.486 0.101 1.00 0.00 C ATOM 847 CD1 PHE A 57 -2.641 9.660 -1.272 1.00 0.00 C ATOM 848 CD2 PHE A 57 -3.307 10.459 0.874 1.00 0.00 C ATOM 849 CE1 PHE A 57 -3.193 10.780 -1.865 1.00 0.00 C ATOM 850 CE2 PHE A 57 -3.861 11.581 0.287 1.00 0.00 C ATOM 851 CZ PHE A 57 -3.804 11.742 -1.084 1.00 0.00 C ATOM 0 H PHE A 57 -0.147 6.644 1.870 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.487 8.108 -0.681 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.652 7.388 0.426 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.199 8.345 1.823 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.164 8.911 -1.887 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.354 10.339 1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.147 10.903 -2.937 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.338 12.331 0.900 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.236 12.618 -1.544 1.00 0.00 H new ATOM 861 N ARG A 58 0.501 10.214 0.250 1.00 0.00 N ATOM 862 CA ARG A 58 1.292 11.341 0.730 1.00 0.00 C ATOM 863 C ARG A 58 0.391 12.490 1.170 1.00 0.00 C ATOM 864 O ARG A 58 -0.523 12.890 0.447 1.00 0.00 O ATOM 865 CB ARG A 58 2.252 11.819 -0.361 1.00 0.00 C ATOM 866 CG ARG A 58 2.865 13.181 -0.078 1.00 0.00 C ATOM 867 CD ARG A 58 3.967 13.091 0.965 1.00 0.00 C ATOM 868 NE ARG A 58 4.209 14.374 1.619 1.00 0.00 N ATOM 869 CZ ARG A 58 4.736 15.425 1.001 1.00 0.00 C ATOM 870 NH1 ARG A 58 5.074 15.346 -0.279 1.00 0.00 N ATOM 871 NH2 ARG A 58 4.926 16.559 1.663 1.00 0.00 N ATOM 0 H ARG A 58 0.191 10.298 -0.718 1.00 0.00 H new ATOM 0 HA ARG A 58 1.870 11.006 1.591 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.051 11.087 -0.476 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.718 11.860 -1.310 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.269 13.598 -1.001 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.090 13.865 0.268 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.696 12.348 1.715 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.886 12.746 0.492 1.00 0.00 H new ATOM 0 HE ARG A 58 3.960 14.468 2.604 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.929 14.476 -0.792 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.478 16.155 -0.751 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.667 16.624 2.647 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.331 17.365 1.187 1.00 0.00 H new ATOM 885 N THR A 59 0.653 13.019 2.361 1.00 0.00 N ATOM 886 CA THR A 59 -0.135 14.121 2.898 1.00 0.00 C ATOM 887 C THR A 59 0.763 15.222 3.450 1.00 0.00 C ATOM 888 O THR A 59 1.960 15.018 3.648 1.00 0.00 O ATOM 889 CB THR A 59 -1.084 13.642 4.013 1.00 0.00 C ATOM 890 OG1 THR A 59 -0.330 13.269 5.172 1.00 0.00 O ATOM 891 CG2 THR A 59 -1.919 12.461 3.542 1.00 0.00 C ATOM 0 H THR A 59 1.405 12.702 2.972 1.00 0.00 H new ATOM 0 HA THR A 59 -0.726 14.518 2.073 1.00 0.00 H new ATOM 0 HB THR A 59 -1.755 14.463 4.266 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.326 12.293 5.260 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.581 12.140 4.346 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.514 12.758 2.678 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.261 11.638 3.264 1.00 0.00 H new ATOM 899 N ASN A 60 0.178 16.390 3.696 1.00 0.00 N ATOM 900 CA ASN A 60 0.927 17.524 4.226 1.00 0.00 C ATOM 901 C ASN A 60 1.732 17.117 5.456 1.00 0.00 C ATOM 902 O ASN A 60 2.890 17.505 5.608 1.00 0.00 O ATOM 903 CB ASN A 60 -0.024 18.669 4.580 1.00 0.00 C ATOM 904 CG ASN A 60 -0.571 19.368 3.350 1.00 0.00 C ATOM 905 OD1 ASN A 60 0.005 19.282 2.266 1.00 0.00 O ATOM 906 ND2 ASN A 60 -1.689 20.065 3.515 1.00 0.00 N ATOM 0 H ASN A 60 -0.812 16.576 3.537 1.00 0.00 H new ATOM 0 HA ASN A 60 1.620 17.862 3.456 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.852 18.280 5.172 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.500 19.393 5.203 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.105 20.557 2.724 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.132 20.108 4.433 1.00 0.00 H new ATOM 913 N GLU A 61 1.110 16.333 6.331 1.00 0.00 N ATOM 914 CA GLU A 61 1.769 15.874 7.548 1.00 0.00 C ATOM 915 C GLU A 61 2.850 14.846 7.227 1.00 0.00 C ATOM 916 O GLU A 61 4.041 15.110 7.388 1.00 0.00 O ATOM 917 CB GLU A 61 0.746 15.270 8.512 1.00 0.00 C ATOM 918 CG GLU A 61 1.156 15.364 9.972 1.00 0.00 C ATOM 919 CD GLU A 61 0.298 14.501 10.876 1.00 0.00 C ATOM 920 OE1 GLU A 61 0.053 13.330 10.520 1.00 0.00 O ATOM 921 OE2 GLU A 61 -0.130 14.997 11.940 1.00 0.00 O ATOM 0 H GLU A 61 0.151 16.003 6.220 1.00 0.00 H new ATOM 0 HA GLU A 61 2.240 16.735 8.022 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.210 15.777 8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.590 14.223 8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.199 15.064 10.073 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.090 16.402 10.298 1.00 0.00 H new ATOM 928 N ASN A 62 2.425 13.672 6.772 1.00 0.00 N ATOM 929 CA ASN A 62 3.356 12.603 6.429 1.00 0.00 C ATOM 930 C ASN A 62 2.656 11.507 5.631 1.00 0.00 C ATOM 931 O ASN A 62 1.432 11.376 5.678 1.00 0.00 O ATOM 932 CB ASN A 62 3.974 12.010 7.697 1.00 0.00 C ATOM 933 CG ASN A 62 2.925 11.541 8.686 1.00 0.00 C ATOM 934 OD1 ASN A 62 2.047 12.305 9.085 1.00 0.00 O ATOM 935 ND2 ASN A 62 3.013 10.278 9.087 1.00 0.00 N ATOM 0 H ASN A 62 1.442 13.437 6.632 1.00 0.00 H new ATOM 0 HA ASN A 62 4.147 13.029 5.812 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.616 11.171 7.427 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.609 12.758 8.172 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.335 9.906 9.752 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.758 9.680 8.730 1.00 0.00 H new ATOM 942 N ILE A 63 3.440 10.722 4.899 1.00 0.00 N ATOM 943 CA ILE A 63 2.895 9.637 4.093 1.00 0.00 C ATOM 944 C ILE A 63 2.223 8.585 4.969 1.00 0.00 C ATOM 945 O ILE A 63 2.871 7.953 5.803 1.00 0.00 O ATOM 946 CB ILE A 63 3.990 8.961 3.246 1.00 0.00 C ATOM 947 CG1 ILE A 63 4.693 9.994 2.363 1.00 0.00 C ATOM 948 CG2 ILE A 63 3.391 7.849 2.397 1.00 0.00 C ATOM 949 CD1 ILE A 63 5.863 9.430 1.588 1.00 0.00 C ATOM 0 H ILE A 63 4.454 10.817 4.848 1.00 0.00 H new ATOM 0 HA ILE A 63 2.153 10.079 3.428 1.00 0.00 H new ATOM 0 HB ILE A 63 4.729 8.522 3.916 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.971 10.412 1.662 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.044 10.816 2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.177 7.381 1.804 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.932 7.103 3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.634 8.266 1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.313 10.218 0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.605 9.037 2.283 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.515 8.628 0.937 1.00 0.00 H new ATOM 961 N GLN A 64 0.922 8.401 4.771 1.00 0.00 N ATOM 962 CA GLN A 64 0.163 7.424 5.542 1.00 0.00 C ATOM 963 C GLN A 64 0.461 6.006 5.067 1.00 0.00 C ATOM 964 O GLN A 64 1.229 5.804 4.127 1.00 0.00 O ATOM 965 CB GLN A 64 -1.336 7.708 5.430 1.00 0.00 C ATOM 966 CG GLN A 64 -1.861 8.639 6.511 1.00 0.00 C ATOM 967 CD GLN A 64 -1.795 10.099 6.107 1.00 0.00 C ATOM 968 OE1 GLN A 64 -0.812 10.547 5.516 1.00 0.00 O ATOM 969 NE2 GLN A 64 -2.844 10.849 6.423 1.00 0.00 N ATOM 0 H GLN A 64 0.372 8.916 4.083 1.00 0.00 H new ATOM 0 HA GLN A 64 0.464 7.509 6.586 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.542 8.146 4.453 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.881 6.765 5.478 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.893 8.376 6.741 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.283 8.492 7.424 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.637 10.436 6.913 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.857 11.838 6.176 1.00 0.00 H new ATOM 978 N ARG A 65 -0.153 5.026 5.724 1.00 0.00 N ATOM 979 CA ARG A 65 0.048 3.626 5.369 1.00 0.00 C ATOM 980 C ARG A 65 -1.127 2.773 5.838 1.00 0.00 C ATOM 981 O ARG A 65 -1.382 2.652 7.037 1.00 0.00 O ATOM 982 CB ARG A 65 1.348 3.104 5.984 1.00 0.00 C ATOM 983 CG ARG A 65 1.621 1.641 5.678 1.00 0.00 C ATOM 984 CD ARG A 65 2.639 1.051 6.642 1.00 0.00 C ATOM 985 NE ARG A 65 3.038 -0.301 6.257 1.00 0.00 N ATOM 986 CZ ARG A 65 4.039 -0.962 6.827 1.00 0.00 C ATOM 987 NH1 ARG A 65 4.739 -0.399 7.803 1.00 0.00 N ATOM 988 NH2 ARG A 65 4.342 -2.188 6.422 1.00 0.00 N ATOM 0 H ARG A 65 -0.793 5.176 6.504 1.00 0.00 H new ATOM 0 HA ARG A 65 0.114 3.558 4.283 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.180 3.705 5.617 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.309 3.239 7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.691 1.076 5.738 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.987 1.544 4.656 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.519 1.693 6.677 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.218 1.032 7.647 1.00 0.00 H new ATOM 0 HE ARG A 65 2.519 -0.762 5.510 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.509 0.544 8.117 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.507 -0.909 8.239 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.806 -2.624 5.672 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.111 -2.695 6.861 1.00 0.00 H new ATOM 1002 N PHE A 66 -1.841 2.184 4.885 1.00 0.00 N ATOM 1003 CA PHE A 66 -2.990 1.343 5.199 1.00 0.00 C ATOM 1004 C PHE A 66 -2.611 -0.135 5.155 1.00 0.00 C ATOM 1005 O PHE A 66 -1.479 -0.488 4.825 1.00 0.00 O ATOM 1006 CB PHE A 66 -4.133 1.617 4.220 1.00 0.00 C ATOM 1007 CG PHE A 66 -4.632 3.034 4.262 1.00 0.00 C ATOM 1008 CD1 PHE A 66 -5.588 3.418 5.188 1.00 0.00 C ATOM 1009 CD2 PHE A 66 -4.144 3.981 3.376 1.00 0.00 C ATOM 1010 CE1 PHE A 66 -6.049 4.720 5.231 1.00 0.00 C ATOM 1011 CE2 PHE A 66 -4.601 5.285 3.414 1.00 0.00 C ATOM 1012 CZ PHE A 66 -5.555 5.655 4.341 1.00 0.00 C ATOM 0 H PHE A 66 -1.644 2.274 3.888 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.320 1.586 6.209 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.797 1.388 3.209 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.960 0.942 4.441 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.978 2.691 5.885 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.399 3.697 2.648 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.794 5.006 5.959 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.212 6.014 2.719 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.915 6.673 4.371 1.00 0.00 H new ATOM 1022 N LYS A 67 -3.567 -0.995 5.490 1.00 0.00 N ATOM 1023 CA LYS A 67 -3.337 -2.434 5.489 1.00 0.00 C ATOM 1024 C LYS A 67 -4.531 -3.176 4.896 1.00 0.00 C ATOM 1025 O LYS A 67 -5.669 -2.982 5.325 1.00 0.00 O ATOM 1026 CB LYS A 67 -3.070 -2.930 6.912 1.00 0.00 C ATOM 1027 CG LYS A 67 -1.753 -2.442 7.489 1.00 0.00 C ATOM 1028 CD LYS A 67 -1.916 -1.107 8.197 1.00 0.00 C ATOM 1029 CE LYS A 67 -2.396 -1.291 9.629 1.00 0.00 C ATOM 1030 NZ LYS A 67 -2.334 -0.020 10.402 1.00 0.00 N ATOM 0 H LYS A 67 -4.509 -0.719 5.766 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.463 -2.636 4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.884 -2.604 7.560 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.077 -4.020 6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.365 -3.182 8.189 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.018 -2.344 6.690 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.965 -0.575 8.196 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.628 -0.488 7.650 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.420 -1.663 9.624 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.785 -2.047 10.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.669 -0.187 11.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.352 0.322 10.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.937 0.694 9.946 1.00 0.00 H new ATOM 1044 N ILE A 68 -4.264 -4.026 3.910 1.00 0.00 N ATOM 1045 CA ILE A 68 -5.317 -4.798 3.262 1.00 0.00 C ATOM 1046 C ILE A 68 -5.148 -6.290 3.528 1.00 0.00 C ATOM 1047 O ILE A 68 -4.254 -6.932 2.975 1.00 0.00 O ATOM 1048 CB ILE A 68 -5.335 -4.558 1.741 1.00 0.00 C ATOM 1049 CG1 ILE A 68 -5.486 -3.066 1.439 1.00 0.00 C ATOM 1050 CG2 ILE A 68 -6.460 -5.352 1.093 1.00 0.00 C ATOM 1051 CD1 ILE A 68 -5.017 -2.678 0.055 1.00 0.00 C ATOM 0 H ILE A 68 -3.328 -4.197 3.543 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.263 -4.461 3.686 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.388 -4.899 1.323 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.533 -2.785 1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.923 -2.496 2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.460 -5.172 0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.311 -6.415 1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.416 -5.038 1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.154 -1.606 -0.088 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.961 -2.927 -0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.597 -3.221 -0.691 1.00 0.00 H new ATOM 1063 N CYS A 69 -6.012 -6.835 4.376 1.00 0.00 N ATOM 1064 CA CYS A 69 -5.960 -8.253 4.716 1.00 0.00 C ATOM 1065 C CYS A 69 -6.845 -9.069 3.779 1.00 0.00 C ATOM 1066 O CYS A 69 -7.925 -8.638 3.373 1.00 0.00 O ATOM 1067 CB CYS A 69 -6.395 -8.468 6.166 1.00 0.00 C ATOM 1068 SG CYS A 69 -5.325 -7.669 7.384 1.00 0.00 S ATOM 0 H CYS A 69 -6.757 -6.317 4.841 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.930 -8.592 4.600 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -7.411 -8.092 6.289 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -6.424 -9.538 6.370 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.776 -7.906 8.580 1.00 0.00 H new ATOM 1074 N PRO A 70 -6.378 -10.276 3.426 1.00 0.00 N ATOM 1075 CA PRO A 70 -7.112 -11.177 2.532 1.00 0.00 C ATOM 1076 C PRO A 70 -8.368 -11.745 3.185 1.00 0.00 C ATOM 1077 O PRO A 70 -8.432 -11.896 4.405 1.00 0.00 O ATOM 1078 CB PRO A 70 -6.104 -12.294 2.250 1.00 0.00 C ATOM 1079 CG PRO A 70 -5.191 -12.287 3.427 1.00 0.00 C ATOM 1080 CD PRO A 70 -5.100 -10.854 3.872 1.00 0.00 C ATOM 0 HA PRO A 70 -7.464 -10.665 1.636 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.601 -13.258 2.141 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.558 -12.110 1.325 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.579 -12.920 4.225 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.208 -12.676 3.161 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.979 -10.776 4.952 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.249 -10.346 3.418 1.00 0.00 H new ATOM 1088 N THR A 71 -9.365 -12.060 2.364 1.00 0.00 N ATOM 1089 CA THR A 71 -10.619 -12.611 2.861 1.00 0.00 C ATOM 1090 C THR A 71 -10.969 -13.913 2.149 1.00 0.00 C ATOM 1091 O THR A 71 -10.666 -14.105 0.971 1.00 0.00 O ATOM 1092 CB THR A 71 -11.780 -11.614 2.684 1.00 0.00 C ATOM 1093 OG1 THR A 71 -12.114 -11.493 1.296 1.00 0.00 O ATOM 1094 CG2 THR A 71 -11.411 -10.249 3.243 1.00 0.00 C ATOM 0 H THR A 71 -9.328 -11.943 1.351 1.00 0.00 H new ATOM 0 HA THR A 71 -10.478 -12.808 3.924 1.00 0.00 H new ATOM 0 HB THR A 71 -12.642 -11.992 3.233 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.297 -11.351 0.774 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.246 -9.562 3.107 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.186 -10.340 4.306 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.536 -9.865 2.718 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.622 -14.830 2.878 1.00 0.00 N ATOM 1103 CA PRO A 72 -12.028 -16.129 2.335 1.00 0.00 C ATOM 1104 C PRO A 72 -13.149 -16.004 1.308 1.00 0.00 C ATOM 1105 O PRO A 72 -13.567 -16.994 0.709 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.517 -16.892 3.569 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.937 -15.832 4.528 1.00 0.00 C ATOM 1108 CD PRO A 72 -12.016 -14.668 4.288 1.00 0.00 C ATOM 0 HA PRO A 72 -11.212 -16.622 1.807 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.347 -17.554 3.322 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.727 -17.515 3.988 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.976 -15.547 4.364 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.861 -16.184 5.557 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.519 -13.716 4.458 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.152 -14.695 4.952 1.00 0.00 H new ATOM 1116 N ASN A 73 -13.629 -14.781 1.109 1.00 0.00 N ATOM 1117 CA ASN A 73 -14.702 -14.527 0.154 1.00 0.00 C ATOM 1118 C ASN A 73 -14.149 -13.938 -1.140 1.00 0.00 C ATOM 1119 O ASN A 73 -14.812 -13.143 -1.804 1.00 0.00 O ATOM 1120 CB ASN A 73 -15.737 -13.577 0.759 1.00 0.00 C ATOM 1121 CG ASN A 73 -15.126 -12.620 1.764 1.00 0.00 C ATOM 1122 OD1 ASN A 73 -14.911 -11.444 1.467 1.00 0.00 O ATOM 1123 ND2 ASN A 73 -14.843 -13.120 2.961 1.00 0.00 N ATOM 0 H ASN A 73 -13.292 -13.950 1.596 1.00 0.00 H new ATOM 0 HA ASN A 73 -15.183 -15.478 -0.076 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -16.213 -13.007 -0.039 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.520 -14.159 1.245 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -14.430 -12.524 3.678 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -15.038 -14.101 3.163 1.00 0.00 H new ATOM 1130 N ASN A 74 -12.930 -14.335 -1.492 1.00 0.00 N ATOM 1131 CA ASN A 74 -12.288 -13.847 -2.706 1.00 0.00 C ATOM 1132 C ASN A 74 -12.402 -12.329 -2.810 1.00 0.00 C ATOM 1133 O ASN A 74 -12.598 -11.785 -3.896 1.00 0.00 O ATOM 1134 CB ASN A 74 -12.916 -14.502 -3.939 1.00 0.00 C ATOM 1135 CG ASN A 74 -11.973 -14.522 -5.126 1.00 0.00 C ATOM 1136 OD1 ASN A 74 -11.299 -13.532 -5.415 1.00 0.00 O ATOM 1137 ND2 ASN A 74 -11.922 -15.652 -5.822 1.00 0.00 N ATOM 0 H ASN A 74 -12.368 -14.993 -0.953 1.00 0.00 H new ATOM 0 HA ASN A 74 -11.232 -14.112 -2.660 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.210 -15.523 -3.695 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.825 -13.965 -4.209 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.307 -15.725 -6.632 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.498 -16.447 -5.546 1.00 0.00 H new ATOM 1144 N GLN A 75 -12.278 -11.653 -1.672 1.00 0.00 N ATOM 1145 CA GLN A 75 -12.367 -10.198 -1.635 1.00 0.00 C ATOM 1146 C GLN A 75 -11.225 -9.604 -0.817 1.00 0.00 C ATOM 1147 O GLN A 75 -10.426 -10.331 -0.228 1.00 0.00 O ATOM 1148 CB GLN A 75 -13.711 -9.763 -1.047 1.00 0.00 C ATOM 1149 CG GLN A 75 -14.833 -9.706 -2.071 1.00 0.00 C ATOM 1150 CD GLN A 75 -16.133 -9.192 -1.485 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -16.401 -7.905 -1.676 1.00 0.00 O flip ATOM 1152 NE2 GLN A 75 -16.888 -9.942 -0.866 1.00 0.00 N flip ATOM 0 H GLN A 75 -12.116 -12.089 -0.764 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.289 -9.828 -2.657 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.991 -10.454 -0.252 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.597 -8.780 -0.590 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.532 -9.063 -2.898 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.994 -10.702 -2.484 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.643 -10.924 -0.743 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.759 -9.581 -0.476 1.00 0.00 H new ATOM 1161 N PHE A 76 -11.154 -8.277 -0.787 1.00 0.00 N ATOM 1162 CA PHE A 76 -10.109 -7.584 -0.043 1.00 0.00 C ATOM 1163 C PHE A 76 -10.711 -6.689 1.036 1.00 0.00 C ATOM 1164 O PHE A 76 -11.734 -6.041 0.820 1.00 0.00 O ATOM 1165 CB PHE A 76 -9.246 -6.749 -0.991 1.00 0.00 C ATOM 1166 CG PHE A 76 -8.351 -7.574 -1.871 1.00 0.00 C ATOM 1167 CD1 PHE A 76 -7.315 -8.315 -1.326 1.00 0.00 C ATOM 1168 CD2 PHE A 76 -8.545 -7.607 -3.243 1.00 0.00 C ATOM 1169 CE1 PHE A 76 -6.489 -9.075 -2.133 1.00 0.00 C ATOM 1170 CE2 PHE A 76 -7.723 -8.366 -4.054 1.00 0.00 C ATOM 1171 CZ PHE A 76 -6.693 -9.100 -3.499 1.00 0.00 C ATOM 0 H PHE A 76 -11.808 -7.660 -1.269 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.484 -8.335 0.440 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.896 -6.138 -1.618 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.634 -6.064 -0.404 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.151 -8.299 -0.259 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.347 -7.033 -3.683 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.685 -9.649 -1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.886 -8.385 -5.121 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.048 -9.692 -4.132 1.00 0.00 H new ATOM 1181 N MET A 77 -10.069 -6.661 2.199 1.00 0.00 N ATOM 1182 CA MET A 77 -10.540 -5.845 3.313 1.00 0.00 C ATOM 1183 C MET A 77 -9.644 -4.627 3.513 1.00 0.00 C ATOM 1184 O MET A 77 -8.445 -4.761 3.759 1.00 0.00 O ATOM 1185 CB MET A 77 -10.587 -6.675 4.597 1.00 0.00 C ATOM 1186 CG MET A 77 -11.908 -7.396 4.807 1.00 0.00 C ATOM 1187 SD MET A 77 -11.846 -8.580 6.166 1.00 0.00 S ATOM 1188 CE MET A 77 -11.314 -7.523 7.511 1.00 0.00 C ATOM 0 H MET A 77 -9.221 -7.194 2.395 1.00 0.00 H new ATOM 0 HA MET A 77 -11.546 -5.498 3.076 1.00 0.00 H new ATOM 0 HB2 MET A 77 -9.781 -7.409 4.575 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.400 -6.022 5.449 1.00 0.00 H new ATOM 0 HG2 MET A 77 -12.690 -6.663 5.005 1.00 0.00 H new ATOM 0 HG3 MET A 77 -12.183 -7.916 3.890 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.482 -8.031 8.461 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.253 -7.300 7.401 1.00 0.00 H new ATOM 0 HE3 MET A 77 -11.884 -6.594 7.491 1.00 0.00 H new ATOM 1198 N MET A 78 -10.232 -3.441 3.405 1.00 0.00 N ATOM 1199 CA MET A 78 -9.486 -2.200 3.575 1.00 0.00 C ATOM 1200 C MET A 78 -9.978 -1.432 4.798 1.00 0.00 C ATOM 1201 O MET A 78 -10.580 -0.366 4.672 1.00 0.00 O ATOM 1202 CB MET A 78 -9.613 -1.327 2.325 1.00 0.00 C ATOM 1203 CG MET A 78 -8.409 -0.432 2.083 1.00 0.00 C ATOM 1204 SD MET A 78 -8.512 1.129 2.980 1.00 0.00 S ATOM 1205 CE MET A 78 -7.186 2.052 2.207 1.00 0.00 C ATOM 0 H MET A 78 -11.223 -3.313 3.201 1.00 0.00 H new ATOM 0 HA MET A 78 -8.437 -2.455 3.726 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.758 -1.970 1.457 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.504 -0.706 2.415 1.00 0.00 H new ATOM 0 HG2 MET A 78 -7.503 -0.959 2.382 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.321 -0.228 1.016 1.00 0.00 H new ATOM 0 HE1 MET A 78 -7.088 3.023 2.692 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.251 1.500 2.308 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.410 2.195 1.150 1.00 0.00 H new ATOM 1215 N GLY A 79 -9.720 -1.982 5.980 1.00 0.00 N ATOM 1216 CA GLY A 79 -10.145 -1.335 7.208 1.00 0.00 C ATOM 1217 C GLY A 79 -11.408 -1.948 7.779 1.00 0.00 C ATOM 1218 O GLY A 79 -11.402 -2.479 8.888 1.00 0.00 O ATOM 0 H GLY A 79 -9.224 -2.864 6.110 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.346 -1.403 7.946 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.313 -0.275 7.017 1.00 0.00 H new ATOM 1222 N GLY A 80 -12.496 -1.872 7.019 1.00 0.00 N ATOM 1223 CA GLY A 80 -13.758 -2.427 7.473 1.00 0.00 C ATOM 1224 C GLY A 80 -14.779 -2.536 6.358 1.00 0.00 C ATOM 1225 O GLY A 80 -15.974 -2.343 6.580 1.00 0.00 O ATOM 0 H GLY A 80 -12.526 -1.436 6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.584 -3.415 7.900 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -14.160 -1.802 8.270 1.00 0.00 H new ATOM 1229 N ARG A 81 -14.307 -2.844 5.155 1.00 0.00 N ATOM 1230 CA ARG A 81 -15.187 -2.976 4.000 1.00 0.00 C ATOM 1231 C ARG A 81 -14.674 -4.050 3.045 1.00 0.00 C ATOM 1232 O ARG A 81 -13.467 -4.246 2.906 1.00 0.00 O ATOM 1233 CB ARG A 81 -15.303 -1.639 3.265 1.00 0.00 C ATOM 1234 CG ARG A 81 -16.177 -0.623 3.983 1.00 0.00 C ATOM 1235 CD ARG A 81 -17.625 -1.082 4.048 1.00 0.00 C ATOM 1236 NE ARG A 81 -18.551 0.042 4.163 1.00 0.00 N ATOM 1237 CZ ARG A 81 -18.762 0.708 5.293 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -18.117 0.365 6.399 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -19.620 1.719 5.317 1.00 0.00 N ATOM 0 H ARG A 81 -13.320 -3.007 4.954 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.173 -3.273 4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.306 -1.219 3.133 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.709 -1.816 2.269 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.799 -0.465 4.993 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.121 0.336 3.468 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.863 -1.658 3.154 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.756 -1.748 4.901 1.00 0.00 H new ATOM 0 HE ARG A 81 -19.064 0.331 3.330 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -17.457 -0.412 6.384 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -18.281 0.878 7.265 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -20.118 1.985 4.468 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -19.782 2.230 6.185 1.00 0.00 H new ATOM 1253 N TYR A 82 -15.599 -4.742 2.390 1.00 0.00 N ATOM 1254 CA TYR A 82 -15.241 -5.798 1.450 1.00 0.00 C ATOM 1255 C TYR A 82 -15.367 -5.312 0.010 1.00 0.00 C ATOM 1256 O TYR A 82 -16.369 -4.705 -0.367 1.00 0.00 O ATOM 1257 CB TYR A 82 -16.131 -7.024 1.666 1.00 0.00 C ATOM 1258 CG TYR A 82 -16.410 -7.321 3.121 1.00 0.00 C ATOM 1259 CD1 TYR A 82 -15.370 -7.482 4.030 1.00 0.00 C ATOM 1260 CD2 TYR A 82 -17.713 -7.443 3.589 1.00 0.00 C ATOM 1261 CE1 TYR A 82 -15.621 -7.754 5.361 1.00 0.00 C ATOM 1262 CE2 TYR A 82 -17.972 -7.714 4.918 1.00 0.00 C ATOM 1263 CZ TYR A 82 -16.923 -7.869 5.800 1.00 0.00 C ATOM 1264 OH TYR A 82 -17.177 -8.140 7.125 1.00 0.00 O ATOM 0 H TYR A 82 -16.603 -4.591 2.492 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.202 -6.074 1.631 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -17.077 -6.871 1.147 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -15.655 -7.893 1.211 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.349 -7.393 3.690 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -18.537 -7.324 2.901 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.802 -7.876 6.054 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -18.991 -7.804 5.265 1.00 0.00 H new ATOM 0 HH TYR A 82 -18.145 -8.188 7.269 1.00 0.00 H new ATOM 1274 N TYR A 83 -14.342 -5.583 -0.790 1.00 0.00 N ATOM 1275 CA TYR A 83 -14.335 -5.172 -2.189 1.00 0.00 C ATOM 1276 C TYR A 83 -13.972 -6.342 -3.099 1.00 0.00 C ATOM 1277 O TYR A 83 -13.266 -7.263 -2.692 1.00 0.00 O ATOM 1278 CB TYR A 83 -13.348 -4.023 -2.400 1.00 0.00 C ATOM 1279 CG TYR A 83 -13.806 -2.714 -1.798 1.00 0.00 C ATOM 1280 CD1 TYR A 83 -13.658 -2.462 -0.440 1.00 0.00 C ATOM 1281 CD2 TYR A 83 -14.387 -1.729 -2.588 1.00 0.00 C ATOM 1282 CE1 TYR A 83 -14.075 -1.267 0.115 1.00 0.00 C ATOM 1283 CE2 TYR A 83 -14.805 -0.531 -2.042 1.00 0.00 C ATOM 1284 CZ TYR A 83 -14.648 -0.305 -0.690 1.00 0.00 C ATOM 1285 OH TYR A 83 -15.065 0.887 -0.143 1.00 0.00 O ATOM 0 H TYR A 83 -13.505 -6.085 -0.494 1.00 0.00 H new ATOM 0 HA TYR A 83 -15.338 -4.832 -2.446 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -12.387 -4.297 -1.965 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -13.187 -3.885 -3.469 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -13.209 -3.213 0.193 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -14.514 -1.903 -3.646 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -13.953 -1.088 1.173 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -15.252 0.225 -2.670 1.00 0.00 H new ATOM 0 HH TYR A 83 -15.626 1.365 -0.789 1.00 0.00 H new ATOM 1295 N ASN A 84 -14.462 -6.297 -4.334 1.00 0.00 N ATOM 1296 CA ASN A 84 -14.190 -7.352 -5.303 1.00 0.00 C ATOM 1297 C ASN A 84 -12.707 -7.396 -5.658 1.00 0.00 C ATOM 1298 O ASN A 84 -12.089 -8.461 -5.654 1.00 0.00 O ATOM 1299 CB ASN A 84 -15.023 -7.138 -6.569 1.00 0.00 C ATOM 1300 CG ASN A 84 -16.505 -7.348 -6.328 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -16.901 -8.151 -5.483 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -17.334 -6.624 -7.072 1.00 0.00 N ATOM 0 H ASN A 84 -15.049 -5.541 -4.687 1.00 0.00 H new ATOM 0 HA ASN A 84 -14.466 -8.305 -4.852 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -14.858 -6.127 -6.943 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.683 -7.824 -7.345 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -18.342 -6.722 -6.954 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -16.962 -5.970 -7.761 1.00 0.00 H new ATOM 1309 N SER A 85 -12.143 -6.232 -5.963 1.00 0.00 N ATOM 1310 CA SER A 85 -10.733 -6.138 -6.324 1.00 0.00 C ATOM 1311 C SER A 85 -10.149 -4.797 -5.888 1.00 0.00 C ATOM 1312 O SER A 85 -10.844 -3.780 -5.877 1.00 0.00 O ATOM 1313 CB SER A 85 -10.557 -6.317 -7.833 1.00 0.00 C ATOM 1314 OG SER A 85 -9.197 -6.186 -8.207 1.00 0.00 O ATOM 0 H SER A 85 -12.640 -5.341 -5.967 1.00 0.00 H new ATOM 0 HA SER A 85 -10.197 -6.934 -5.807 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.927 -7.298 -8.131 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.156 -5.576 -8.363 1.00 0.00 H new ATOM 0 HG SER A 85 -9.111 -6.306 -9.176 1.00 0.00 H new ATOM 1320 N ILE A 86 -8.870 -4.804 -5.530 1.00 0.00 N ATOM 1321 CA ILE A 86 -8.192 -3.589 -5.094 1.00 0.00 C ATOM 1322 C ILE A 86 -8.644 -2.385 -5.913 1.00 0.00 C ATOM 1323 O ILE A 86 -8.946 -1.326 -5.365 1.00 0.00 O ATOM 1324 CB ILE A 86 -6.663 -3.727 -5.205 1.00 0.00 C ATOM 1325 CG1 ILE A 86 -6.138 -4.699 -4.146 1.00 0.00 C ATOM 1326 CG2 ILE A 86 -5.996 -2.367 -5.061 1.00 0.00 C ATOM 1327 CD1 ILE A 86 -4.661 -4.995 -4.277 1.00 0.00 C ATOM 0 H ILE A 86 -8.282 -5.637 -5.533 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.459 -3.436 -4.048 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.420 -4.126 -6.190 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.331 -4.284 -3.157 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.695 -5.633 -4.214 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.915 -2.482 -5.142 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.350 -1.703 -5.849 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.244 -1.941 -4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.358 -5.690 -3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.464 -5.439 -5.253 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.094 -4.069 -4.179 1.00 0.00 H new ATOM 1339 N GLY A 87 -8.689 -2.555 -7.231 1.00 0.00 N ATOM 1340 CA GLY A 87 -9.106 -1.474 -8.105 1.00 0.00 C ATOM 1341 C GLY A 87 -10.415 -0.847 -7.667 1.00 0.00 C ATOM 1342 O GLY A 87 -10.528 0.377 -7.585 1.00 0.00 O ATOM 0 H GLY A 87 -8.444 -3.422 -7.709 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.330 -0.709 -8.128 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.210 -1.853 -9.122 1.00 0.00 H new ATOM 1346 N ASP A 88 -11.406 -1.685 -7.386 1.00 0.00 N ATOM 1347 CA ASP A 88 -12.714 -1.206 -6.955 1.00 0.00 C ATOM 1348 C ASP A 88 -12.578 -0.227 -5.793 1.00 0.00 C ATOM 1349 O ASP A 88 -13.087 0.892 -5.849 1.00 0.00 O ATOM 1350 CB ASP A 88 -13.602 -2.382 -6.547 1.00 0.00 C ATOM 1351 CG ASP A 88 -15.076 -2.026 -6.561 1.00 0.00 C ATOM 1352 OD1 ASP A 88 -15.480 -1.141 -5.778 1.00 0.00 O ATOM 1353 OD2 ASP A 88 -15.826 -2.634 -7.354 1.00 0.00 O ATOM 0 H ASP A 88 -11.329 -2.700 -7.449 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.177 -0.685 -7.793 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.427 -3.218 -7.224 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.321 -2.716 -5.548 1.00 0.00 H new ATOM 1358 N ILE A 89 -11.889 -0.658 -4.741 1.00 0.00 N ATOM 1359 CA ILE A 89 -11.687 0.180 -3.566 1.00 0.00 C ATOM 1360 C ILE A 89 -11.382 1.621 -3.964 1.00 0.00 C ATOM 1361 O ILE A 89 -11.910 2.563 -3.374 1.00 0.00 O ATOM 1362 CB ILE A 89 -10.540 -0.351 -2.686 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -10.917 -1.704 -2.080 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -10.204 0.651 -1.591 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.736 -2.469 -1.526 1.00 0.00 C ATOM 0 H ILE A 89 -11.462 -1.582 -4.679 1.00 0.00 H new ATOM 0 HA ILE A 89 -12.615 0.152 -2.995 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.657 -0.487 -3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -11.643 -1.546 -1.283 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.407 -2.310 -2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -9.392 0.261 -0.978 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.897 1.594 -2.043 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.082 0.816 -0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.078 -3.418 -1.113 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.019 -2.659 -2.324 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.259 -1.883 -0.741 1.00 0.00 H new ATOM 1377 N ILE A 90 -10.528 1.783 -4.969 1.00 0.00 N ATOM 1378 CA ILE A 90 -10.156 3.108 -5.448 1.00 0.00 C ATOM 1379 C ILE A 90 -11.344 3.814 -6.091 1.00 0.00 C ATOM 1380 O ILE A 90 -11.740 4.899 -5.664 1.00 0.00 O ATOM 1381 CB ILE A 90 -9.003 3.035 -6.468 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -7.713 2.586 -5.780 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -8.808 4.384 -7.144 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -7.522 1.085 -5.773 1.00 0.00 C ATOM 0 H ILE A 90 -10.081 1.013 -5.467 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.826 3.676 -4.578 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.259 2.301 -7.232 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.863 3.050 -6.281 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.714 2.949 -4.752 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.990 4.317 -7.862 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.724 4.667 -7.663 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.570 5.137 -6.392 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.587 0.840 -5.269 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.352 0.615 -5.246 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.489 0.718 -6.799 1.00 0.00 H new ATOM 1396 N ASP A 91 -11.910 3.192 -7.119 1.00 0.00 N ATOM 1397 CA ASP A 91 -13.056 3.759 -7.820 1.00 0.00 C ATOM 1398 C ASP A 91 -14.109 4.250 -6.831 1.00 0.00 C ATOM 1399 O ASP A 91 -14.753 5.276 -7.053 1.00 0.00 O ATOM 1400 CB ASP A 91 -13.668 2.722 -8.763 1.00 0.00 C ATOM 1401 CG ASP A 91 -12.621 1.996 -9.584 1.00 0.00 C ATOM 1402 OD1 ASP A 91 -11.893 2.667 -10.345 1.00 0.00 O ATOM 1403 OD2 ASP A 91 -12.528 0.756 -9.464 1.00 0.00 O ATOM 0 H ASP A 91 -11.594 2.294 -7.486 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.708 4.610 -8.405 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -14.236 1.996 -8.181 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.373 3.215 -9.433 1.00 0.00 H new ATOM 1408 N HIS A 92 -14.280 3.510 -5.740 1.00 0.00 N ATOM 1409 CA HIS A 92 -15.256 3.870 -4.718 1.00 0.00 C ATOM 1410 C HIS A 92 -14.726 4.995 -3.834 1.00 0.00 C ATOM 1411 O HIS A 92 -15.476 5.882 -3.425 1.00 0.00 O ATOM 1412 CB HIS A 92 -15.600 2.652 -3.860 1.00 0.00 C ATOM 1413 CG HIS A 92 -16.890 2.792 -3.111 1.00 0.00 C ATOM 1414 ND1 HIS A 92 -16.950 3.000 -1.749 1.00 0.00 N ATOM 1415 CD2 HIS A 92 -18.172 2.755 -3.542 1.00 0.00 C ATOM 1416 CE1 HIS A 92 -18.214 3.083 -1.374 1.00 0.00 C ATOM 1417 NE2 HIS A 92 -18.976 2.938 -2.443 1.00 0.00 N ATOM 0 H HIS A 92 -13.756 2.658 -5.541 1.00 0.00 H new ATOM 0 HA HIS A 92 -16.159 4.219 -5.219 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -15.654 1.771 -4.500 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -14.793 2.480 -3.148 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -18.502 2.609 -4.560 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -18.565 3.242 -0.365 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -19.996 2.959 -2.451 1.00 0.00 H new ATOM 1425 N TYR A 93 -13.431 4.952 -3.542 1.00 0.00 N ATOM 1426 CA TYR A 93 -12.802 5.966 -2.704 1.00 0.00 C ATOM 1427 C TYR A 93 -12.775 7.317 -3.411 1.00 0.00 C ATOM 1428 O TYR A 93 -12.745 8.366 -2.768 1.00 0.00 O ATOM 1429 CB TYR A 93 -11.379 5.542 -2.335 1.00 0.00 C ATOM 1430 CG TYR A 93 -11.300 4.727 -1.064 1.00 0.00 C ATOM 1431 CD1 TYR A 93 -12.368 3.939 -0.652 1.00 0.00 C ATOM 1432 CD2 TYR A 93 -10.157 4.745 -0.274 1.00 0.00 C ATOM 1433 CE1 TYR A 93 -12.301 3.194 0.509 1.00 0.00 C ATOM 1434 CE2 TYR A 93 -10.080 4.002 0.888 1.00 0.00 C ATOM 1435 CZ TYR A 93 -11.154 3.229 1.275 1.00 0.00 C ATOM 1436 OH TYR A 93 -11.083 2.487 2.432 1.00 0.00 O ATOM 0 H TYR A 93 -12.796 4.226 -3.873 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.392 6.065 -1.793 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.958 4.961 -3.156 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.761 6.433 -2.224 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.267 3.909 -1.250 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.314 5.350 -0.574 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -13.141 2.588 0.815 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.184 4.026 1.490 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.145 2.385 2.699 1.00 0.00 H new ATOM 1446 N ARG A 94 -12.786 7.282 -4.740 1.00 0.00 N ATOM 1447 CA ARG A 94 -12.762 8.503 -5.536 1.00 0.00 C ATOM 1448 C ARG A 94 -13.815 9.493 -5.046 1.00 0.00 C ATOM 1449 O ARG A 94 -13.673 10.704 -5.218 1.00 0.00 O ATOM 1450 CB ARG A 94 -12.999 8.180 -7.012 1.00 0.00 C ATOM 1451 CG ARG A 94 -11.758 7.682 -7.734 1.00 0.00 C ATOM 1452 CD ARG A 94 -12.015 7.493 -9.220 1.00 0.00 C ATOM 1453 NE ARG A 94 -12.426 8.736 -9.867 1.00 0.00 N ATOM 1454 CZ ARG A 94 -13.681 9.171 -9.895 1.00 0.00 C ATOM 1455 NH1 ARG A 94 -14.643 8.466 -9.314 1.00 0.00 N ATOM 1456 NH2 ARG A 94 -13.977 10.312 -10.503 1.00 0.00 N ATOM 0 H ARG A 94 -12.811 6.422 -5.287 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.779 8.960 -5.424 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.781 7.425 -7.089 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -13.368 9.073 -7.516 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.944 8.393 -7.592 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -11.436 6.737 -7.296 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.111 7.117 -9.699 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -12.788 6.738 -9.361 1.00 0.00 H new ATOM 0 HE ARG A 94 -11.710 9.302 -10.323 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -14.420 7.588 -8.845 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -15.606 8.802 -9.337 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -13.240 10.858 -10.950 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -14.941 10.644 -10.523 1.00 0.00 H new ATOM 1470 N LYS A 95 -14.872 8.969 -4.435 1.00 0.00 N ATOM 1471 CA LYS A 95 -15.950 9.805 -3.918 1.00 0.00 C ATOM 1472 C LYS A 95 -15.903 9.874 -2.395 1.00 0.00 C ATOM 1473 O LYS A 95 -16.348 10.852 -1.796 1.00 0.00 O ATOM 1474 CB LYS A 95 -17.307 9.262 -4.373 1.00 0.00 C ATOM 1475 CG LYS A 95 -17.899 8.234 -3.425 1.00 0.00 C ATOM 1476 CD LYS A 95 -18.986 7.414 -4.099 1.00 0.00 C ATOM 1477 CE LYS A 95 -20.307 8.166 -4.139 1.00 0.00 C ATOM 1478 NZ LYS A 95 -21.448 7.267 -4.465 1.00 0.00 N ATOM 0 H LYS A 95 -15.006 7.969 -4.285 1.00 0.00 H new ATOM 0 HA LYS A 95 -15.817 10.812 -4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -18.005 10.093 -4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -17.197 8.813 -5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -17.111 7.571 -3.068 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -18.312 8.739 -2.551 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -18.678 7.164 -5.114 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -19.118 6.473 -3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -20.484 8.641 -3.174 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -20.249 8.963 -4.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -22.330 7.818 -4.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -21.292 6.833 -5.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -21.520 6.522 -3.743 1.00 0.00 H new ATOM 1492 N GLU A 96 -15.358 8.831 -1.776 1.00 0.00 N ATOM 1493 CA GLU A 96 -15.253 8.775 -0.323 1.00 0.00 C ATOM 1494 C GLU A 96 -13.842 9.134 0.134 1.00 0.00 C ATOM 1495 O GLU A 96 -12.882 8.424 -0.166 1.00 0.00 O ATOM 1496 CB GLU A 96 -15.626 7.381 0.185 1.00 0.00 C ATOM 1497 CG GLU A 96 -17.125 7.156 0.298 1.00 0.00 C ATOM 1498 CD GLU A 96 -17.728 6.595 -0.976 1.00 0.00 C ATOM 1499 OE1 GLU A 96 -17.077 5.744 -1.617 1.00 0.00 O ATOM 1500 OE2 GLU A 96 -18.852 7.008 -1.331 1.00 0.00 O ATOM 0 H GLU A 96 -14.983 8.014 -2.258 1.00 0.00 H new ATOM 0 HA GLU A 96 -15.948 9.503 0.094 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.204 6.634 -0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.169 7.225 1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -17.325 6.471 1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.613 8.100 0.542 1.00 0.00 H new ATOM 1507 N GLN A 97 -13.725 10.240 0.861 1.00 0.00 N ATOM 1508 CA GLN A 97 -12.431 10.694 1.358 1.00 0.00 C ATOM 1509 C GLN A 97 -11.699 9.566 2.077 1.00 0.00 C ATOM 1510 O GLN A 97 -12.144 9.090 3.122 1.00 0.00 O ATOM 1511 CB GLN A 97 -12.613 11.884 2.303 1.00 0.00 C ATOM 1512 CG GLN A 97 -13.298 13.076 1.655 1.00 0.00 C ATOM 1513 CD GLN A 97 -13.450 14.248 2.604 1.00 0.00 C ATOM 1514 OE1 GLN A 97 -13.735 14.070 3.788 1.00 0.00 O ATOM 1515 NE2 GLN A 97 -13.260 15.457 2.087 1.00 0.00 N ATOM 0 H GLN A 97 -14.510 10.838 1.119 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.830 11.006 0.504 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.197 11.565 3.167 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.637 12.195 2.675 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.724 13.391 0.784 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -14.282 12.774 1.296 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.025 15.558 1.100 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.349 16.284 2.677 1.00 0.00 H new ATOM 1524 N ILE A 98 -10.573 9.143 1.511 1.00 0.00 N ATOM 1525 CA ILE A 98 -9.779 8.072 2.099 1.00 0.00 C ATOM 1526 C ILE A 98 -9.127 8.522 3.402 1.00 0.00 C ATOM 1527 O ILE A 98 -8.759 7.700 4.241 1.00 0.00 O ATOM 1528 CB ILE A 98 -8.683 7.587 1.131 1.00 0.00 C ATOM 1529 CG1 ILE A 98 -7.820 6.515 1.799 1.00 0.00 C ATOM 1530 CG2 ILE A 98 -7.825 8.757 0.674 1.00 0.00 C ATOM 1531 CD1 ILE A 98 -6.854 5.840 0.851 1.00 0.00 C ATOM 0 H ILE A 98 -10.191 9.526 0.646 1.00 0.00 H new ATOM 0 HA ILE A 98 -10.463 7.248 2.303 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.161 7.148 0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.258 6.969 2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -8.470 5.760 2.241 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.055 8.399 -0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.451 9.490 0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.354 9.222 1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.275 5.092 1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.410 5.357 0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.179 6.584 0.428 1.00 0.00 H new ATOM 1543 N VAL A 99 -8.990 9.834 3.567 1.00 0.00 N ATOM 1544 CA VAL A 99 -8.386 10.394 4.769 1.00 0.00 C ATOM 1545 C VAL A 99 -9.324 11.389 5.443 1.00 0.00 C ATOM 1546 O VAL A 99 -10.469 11.560 5.024 1.00 0.00 O ATOM 1547 CB VAL A 99 -7.052 11.097 4.452 1.00 0.00 C ATOM 1548 CG1 VAL A 99 -6.107 11.010 5.641 1.00 0.00 C ATOM 1549 CG2 VAL A 99 -6.416 10.495 3.209 1.00 0.00 C ATOM 0 H VAL A 99 -9.289 10.529 2.883 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.197 9.561 5.446 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.253 12.150 4.255 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.170 11.512 5.399 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.564 11.492 6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.909 9.963 5.872 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.475 11.003 2.999 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.227 9.434 3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.090 10.615 2.361 1.00 0.00 H new ATOM 1559 N GLU A 100 -8.831 12.044 6.490 1.00 0.00 N ATOM 1560 CA GLU A 100 -9.627 13.022 7.222 1.00 0.00 C ATOM 1561 C GLU A 100 -9.624 14.371 6.508 1.00 0.00 C ATOM 1562 O GLU A 100 -9.545 15.422 7.142 1.00 0.00 O ATOM 1563 CB GLU A 100 -9.091 13.186 8.646 1.00 0.00 C ATOM 1564 CG GLU A 100 -7.705 13.806 8.707 1.00 0.00 C ATOM 1565 CD GLU A 100 -7.481 14.610 9.974 1.00 0.00 C ATOM 1566 OE1 GLU A 100 -8.285 15.525 10.246 1.00 0.00 O ATOM 1567 OE2 GLU A 100 -6.501 14.322 10.692 1.00 0.00 O ATOM 0 H GLU A 100 -7.885 11.915 6.850 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.653 12.656 7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.783 13.806 9.216 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.065 12.210 9.130 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.955 13.017 8.644 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.562 14.452 7.841 1.00 0.00 H new ATOM 1574 N GLY A 101 -9.709 14.331 5.181 1.00 0.00 N ATOM 1575 CA GLY A 101 -9.713 15.555 4.402 1.00 0.00 C ATOM 1576 C GLY A 101 -8.866 15.448 3.149 1.00 0.00 C ATOM 1577 O GLY A 101 -8.213 16.412 2.748 1.00 0.00 O ATOM 0 H GLY A 101 -9.775 13.473 4.633 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.738 15.802 4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.343 16.375 5.018 1.00 0.00 H new ATOM 1581 N TYR A 102 -8.876 14.273 2.530 1.00 0.00 N ATOM 1582 CA TYR A 102 -8.100 14.042 1.317 1.00 0.00 C ATOM 1583 C TYR A 102 -8.773 12.999 0.430 1.00 0.00 C ATOM 1584 O TYR A 102 -9.326 12.015 0.919 1.00 0.00 O ATOM 1585 CB TYR A 102 -6.683 13.587 1.673 1.00 0.00 C ATOM 1586 CG TYR A 102 -5.810 14.695 2.217 1.00 0.00 C ATOM 1587 CD1 TYR A 102 -5.803 14.999 3.572 1.00 0.00 C ATOM 1588 CD2 TYR A 102 -4.991 15.437 1.375 1.00 0.00 C ATOM 1589 CE1 TYR A 102 -5.007 16.011 4.074 1.00 0.00 C ATOM 1590 CE2 TYR A 102 -4.191 16.450 1.868 1.00 0.00 C ATOM 1591 CZ TYR A 102 -4.203 16.733 3.217 1.00 0.00 C ATOM 1592 OH TYR A 102 -3.408 17.741 3.713 1.00 0.00 O ATOM 0 H TYR A 102 -9.413 13.466 2.848 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.046 14.981 0.766 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -6.742 12.787 2.411 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.211 13.167 0.785 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -6.431 14.434 4.245 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -4.979 15.218 0.317 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.014 16.235 5.130 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.560 17.017 1.200 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.150 17.531 4.635 1.00 0.00 H new ATOM 1602 N TYR A 103 -8.721 13.224 -0.878 1.00 0.00 N ATOM 1603 CA TYR A 103 -9.327 12.306 -1.836 1.00 0.00 C ATOM 1604 C TYR A 103 -8.261 11.641 -2.702 1.00 0.00 C ATOM 1605 O TYR A 103 -7.085 12.001 -2.646 1.00 0.00 O ATOM 1606 CB TYR A 103 -10.330 13.048 -2.721 1.00 0.00 C ATOM 1607 CG TYR A 103 -11.719 13.123 -2.130 1.00 0.00 C ATOM 1608 CD1 TYR A 103 -12.448 11.969 -1.869 1.00 0.00 C ATOM 1609 CD2 TYR A 103 -12.304 14.348 -1.832 1.00 0.00 C ATOM 1610 CE1 TYR A 103 -13.718 12.032 -1.330 1.00 0.00 C ATOM 1611 CE2 TYR A 103 -13.573 14.421 -1.291 1.00 0.00 C ATOM 1612 CZ TYR A 103 -14.276 13.261 -1.042 1.00 0.00 C ATOM 1613 OH TYR A 103 -15.541 13.328 -0.504 1.00 0.00 O ATOM 0 H TYR A 103 -8.266 14.034 -1.299 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.851 11.531 -1.277 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -9.965 14.059 -2.900 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.383 12.552 -3.690 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -12.014 11.006 -2.092 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -11.757 15.259 -2.027 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -14.271 11.125 -1.135 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -14.012 15.381 -1.064 1.00 0.00 H new ATOM 0 HH TYR A 103 -16.065 12.555 -0.802 1.00 0.00 H new ATOM 1623 N LEU A 104 -8.682 10.670 -3.504 1.00 0.00 N ATOM 1624 CA LEU A 104 -7.766 9.953 -4.385 1.00 0.00 C ATOM 1625 C LEU A 104 -7.818 10.518 -5.801 1.00 0.00 C ATOM 1626 O LEU A 104 -8.728 10.209 -6.571 1.00 0.00 O ATOM 1627 CB LEU A 104 -8.108 8.462 -4.405 1.00 0.00 C ATOM 1628 CG LEU A 104 -7.663 7.655 -3.185 1.00 0.00 C ATOM 1629 CD1 LEU A 104 -8.160 6.221 -3.284 1.00 0.00 C ATOM 1630 CD2 LEU A 104 -6.147 7.687 -3.049 1.00 0.00 C ATOM 0 H LEU A 104 -9.652 10.360 -3.563 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.755 10.082 -3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.188 8.359 -4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.658 8.018 -5.293 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.098 8.109 -2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.834 5.662 -2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.249 6.216 -3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.754 5.756 -4.183 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.848 7.108 -2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.692 7.258 -3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.814 8.718 -2.932 1.00 0.00 H new ATOM 1642 N LYS A 105 -6.835 11.346 -6.139 1.00 0.00 N ATOM 1643 CA LYS A 105 -6.766 11.951 -7.463 1.00 0.00 C ATOM 1644 C LYS A 105 -6.300 10.936 -8.502 1.00 0.00 C ATOM 1645 O LYS A 105 -7.052 10.568 -9.403 1.00 0.00 O ATOM 1646 CB LYS A 105 -5.818 13.153 -7.448 1.00 0.00 C ATOM 1647 CG LYS A 105 -6.480 14.444 -7.000 1.00 0.00 C ATOM 1648 CD LYS A 105 -7.306 15.063 -8.115 1.00 0.00 C ATOM 1649 CE LYS A 105 -8.216 16.163 -7.591 1.00 0.00 C ATOM 1650 NZ LYS A 105 -8.745 17.017 -8.690 1.00 0.00 N ATOM 0 H LYS A 105 -6.075 11.613 -5.513 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.767 12.288 -7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.980 12.936 -6.786 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.407 13.293 -8.448 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.119 14.247 -6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.717 15.152 -6.675 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.642 15.471 -8.877 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.907 14.291 -8.596 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -9.048 15.717 -7.046 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.666 16.782 -6.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.361 17.754 -8.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.953 17.463 -9.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.292 16.431 -9.353 1.00 0.00 H new ATOM 1664 N GLU A 106 -5.056 10.487 -8.368 1.00 0.00 N ATOM 1665 CA GLU A 106 -4.492 9.514 -9.296 1.00 0.00 C ATOM 1666 C GLU A 106 -3.309 8.784 -8.666 1.00 0.00 C ATOM 1667 O GLU A 106 -2.526 9.356 -7.907 1.00 0.00 O ATOM 1668 CB GLU A 106 -4.050 10.204 -10.588 1.00 0.00 C ATOM 1669 CG GLU A 106 -2.912 11.192 -10.391 1.00 0.00 C ATOM 1670 CD GLU A 106 -2.315 11.662 -11.703 1.00 0.00 C ATOM 1671 OE1 GLU A 106 -3.040 12.308 -12.488 1.00 0.00 O ATOM 1672 OE2 GLU A 106 -1.121 11.384 -11.945 1.00 0.00 O ATOM 0 H GLU A 106 -4.420 10.781 -7.627 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.266 8.783 -9.530 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.741 9.446 -11.308 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.903 10.726 -11.021 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -3.277 12.054 -9.832 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.133 10.727 -9.787 1.00 0.00 H new ATOM 1679 N PRO A 107 -3.175 7.488 -8.986 1.00 0.00 N ATOM 1680 CA PRO A 107 -2.091 6.651 -8.463 1.00 0.00 C ATOM 1681 C PRO A 107 -0.732 7.036 -9.039 1.00 0.00 C ATOM 1682 O PRO A 107 -0.621 7.988 -9.812 1.00 0.00 O ATOM 1683 CB PRO A 107 -2.483 5.242 -8.913 1.00 0.00 C ATOM 1684 CG PRO A 107 -3.334 5.451 -10.118 1.00 0.00 C ATOM 1685 CD PRO A 107 -4.071 6.741 -9.885 1.00 0.00 C ATOM 0 HA PRO A 107 -1.981 6.753 -7.383 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -1.603 4.643 -9.149 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -3.028 4.714 -8.130 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -2.726 5.507 -11.021 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -4.030 4.623 -10.253 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -4.245 7.279 -10.817 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -5.046 6.570 -9.429 1.00 0.00 H new ATOM 1693 N VAL A 108 0.299 6.289 -8.659 1.00 0.00 N ATOM 1694 CA VAL A 108 1.651 6.550 -9.139 1.00 0.00 C ATOM 1695 C VAL A 108 2.000 5.647 -10.316 1.00 0.00 C ATOM 1696 O VAL A 108 1.812 4.431 -10.275 1.00 0.00 O ATOM 1697 CB VAL A 108 2.692 6.347 -8.023 1.00 0.00 C ATOM 1698 CG1 VAL A 108 4.089 6.217 -8.612 1.00 0.00 C ATOM 1699 CG2 VAL A 108 2.631 7.491 -7.023 1.00 0.00 C ATOM 0 H VAL A 108 0.224 5.498 -8.020 1.00 0.00 H new ATOM 0 HA VAL A 108 1.676 7.590 -9.463 1.00 0.00 H new ATOM 0 HB VAL A 108 2.458 5.422 -7.497 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.811 6.074 -7.808 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.122 5.361 -9.285 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.336 7.123 -9.165 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.374 7.331 -6.241 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.838 8.432 -7.533 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.637 7.532 -6.577 1.00 0.00 H new ATOM 1709 N PRO A 109 2.522 6.253 -11.393 1.00 0.00 N ATOM 1710 CA PRO A 109 2.911 5.522 -12.603 1.00 0.00 C ATOM 1711 C PRO A 109 4.137 4.644 -12.381 1.00 0.00 C ATOM 1712 O PRO A 109 4.782 4.715 -11.335 1.00 0.00 O ATOM 1713 CB PRO A 109 3.224 6.635 -13.605 1.00 0.00 C ATOM 1714 CG PRO A 109 3.600 7.807 -12.764 1.00 0.00 C ATOM 1715 CD PRO A 109 2.774 7.699 -11.512 1.00 0.00 C ATOM 0 HA PRO A 109 2.129 4.839 -12.935 1.00 0.00 H new ATOM 0 HB2 PRO A 109 4.037 6.350 -14.273 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.360 6.858 -14.232 1.00 0.00 H new ATOM 0 HG2 PRO A 109 4.665 7.795 -12.531 1.00 0.00 H new ATOM 0 HG3 PRO A 109 3.398 8.743 -13.285 1.00 0.00 H new ATOM 0 HD2 PRO A 109 3.307 8.087 -10.644 1.00 0.00 H new ATOM 0 HD3 PRO A 109 1.845 8.263 -11.594 1.00 0.00 H new ATOM 1723 N MET A 110 4.455 3.817 -13.372 1.00 0.00 N ATOM 1724 CA MET A 110 5.606 2.926 -13.284 1.00 0.00 C ATOM 1725 C MET A 110 6.883 3.645 -13.706 1.00 0.00 C ATOM 1726 O MET A 110 6.867 4.843 -13.987 1.00 0.00 O ATOM 1727 CB MET A 110 5.389 1.690 -14.159 1.00 0.00 C ATOM 1728 CG MET A 110 3.987 1.112 -14.058 1.00 0.00 C ATOM 1729 SD MET A 110 3.656 -0.131 -15.321 1.00 0.00 S ATOM 1730 CE MET A 110 4.180 0.737 -16.797 1.00 0.00 C ATOM 0 H MET A 110 3.932 3.746 -14.245 1.00 0.00 H new ATOM 0 HA MET A 110 5.713 2.612 -12.246 1.00 0.00 H new ATOM 0 HB2 MET A 110 5.592 1.950 -15.198 1.00 0.00 H new ATOM 0 HB3 MET A 110 6.110 0.923 -13.876 1.00 0.00 H new ATOM 0 HG2 MET A 110 3.852 0.668 -13.072 1.00 0.00 H new ATOM 0 HG3 MET A 110 3.259 1.918 -14.147 1.00 0.00 H new ATOM 0 HE1 MET A 110 3.699 0.295 -17.669 1.00 0.00 H new ATOM 0 HE2 MET A 110 3.899 1.787 -16.721 1.00 0.00 H new ATOM 0 HE3 MET A 110 5.262 0.658 -16.901 1.00 0.00 H new