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= -0.101 K(o=-0.1,f=-2!) USER MOD Set 1.2: A 102 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 78 MET CE :methyl -123:sc= -1.29 (180deg=-7.09!) USER MOD Set 2.2: A 93 TYR OH : rot -167:sc= -0.469 USER MOD Set 3.1: A 83 TYR OH : rot -130:sc= -1.47 USER MOD Set 3.2: A 92 HIS : no HD1:sc= -0.417 K(o=-1.9,f=-2.6) USER MOD Set 4.1: A 25 LYS NZ :NH3+ 168:sc= 0.779 (180deg=0) USER MOD Set 4.2: A 56 TYR OH : rot 180:sc= 0.587 USER MOD Set 5.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 54 SER OG : rot 16:sc= 0.734 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -0.255 K(o=-0.26,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= -0.146 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= -0.12 K(o=-0.12,f=-1.8!) USER MOD Single : A 33 MET CE :methyl 172:sc= -5.73! (180deg=-6.51!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0817! USER MOD Single : A 37 GLN : amide:sc= -0.875 K(o=-0.88,f=-9.6!) USER MOD Single : A 39 CYS SG : rot 180:sc=-0.00457 USER MOD Single : A 40 SER OG : rot -159:sc= 0.823 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -76:sc= 0.482 USER MOD Single : A 62 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.7!) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.217 F(o=-3.3!,f=-0.22) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -1.37 USER MOD Single : A 71 THR OG1 : rot 100:sc= -0.16 USER MOD Single : A 73 ASN : amide:sc= -0.593 K(o=-0.59,f=-3.1!) USER MOD Single : A 74 ASN : amide:sc= -0.0248 X(o=-0.025,f=-0.13) USER MOD Single : A 75 GLN : amide:sc= -3.03 K(o=-3,f=-4.2!) USER MOD Single : A 77 MET CE :methyl 167:sc= -0.0304 (180deg=-0.32) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN :FLIP amide:sc= -0.0858 F(o=-1.1,f=-0.086) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0.0702 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 185 N LYS A 16 -1.346 -3.044 -13.510 1.00 0.00 N ATOM 186 CA LYS A 16 -1.958 -1.863 -12.912 1.00 0.00 C ATOM 187 C LYS A 16 -0.931 -0.751 -12.729 1.00 0.00 C ATOM 188 O LYS A 16 0.168 -0.986 -12.224 1.00 0.00 O ATOM 189 CB LYS A 16 -2.588 -2.218 -11.563 1.00 0.00 C ATOM 190 CG LYS A 16 -3.625 -3.324 -11.648 1.00 0.00 C ATOM 191 CD LYS A 16 -4.905 -2.839 -12.308 1.00 0.00 C ATOM 192 CE LYS A 16 -5.751 -4.001 -12.806 1.00 0.00 C ATOM 193 NZ LYS A 16 -5.399 -4.384 -14.202 1.00 0.00 N ATOM 0 HA LYS A 16 -2.736 -1.506 -13.587 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.801 -2.522 -10.873 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.054 -1.326 -11.143 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.218 -4.163 -12.213 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.848 -3.693 -10.647 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.481 -2.247 -11.596 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.659 -2.183 -13.143 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.613 -4.859 -12.148 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.806 -3.729 -12.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.997 -5.179 -14.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.555 -3.573 -14.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.399 -4.668 -14.243 1.00 0.00 H new ATOM 207 N ILE A 17 -1.295 0.459 -13.140 1.00 0.00 N ATOM 208 CA ILE A 17 -0.405 1.607 -13.018 1.00 0.00 C ATOM 209 C ILE A 17 -0.190 1.983 -11.555 1.00 0.00 C ATOM 210 O ILE A 17 0.831 2.571 -11.199 1.00 0.00 O ATOM 211 CB ILE A 17 -0.956 2.829 -13.775 1.00 0.00 C ATOM 212 CG1 ILE A 17 0.035 3.993 -13.699 1.00 0.00 C ATOM 213 CG2 ILE A 17 -2.307 3.239 -13.207 1.00 0.00 C ATOM 214 CD1 ILE A 17 -0.150 5.017 -14.797 1.00 0.00 C ATOM 0 H ILE A 17 -2.200 0.670 -13.560 1.00 0.00 H new ATOM 0 HA ILE A 17 0.548 1.316 -13.460 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.091 2.559 -14.822 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.069 4.486 -12.732 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.050 3.599 -13.748 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.684 4.104 -13.753 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.010 2.412 -13.308 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.196 3.495 -12.153 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.586 5.813 -14.680 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.016 4.538 -15.767 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.153 5.439 -14.736 1.00 0.00 H new ATOM 226 N TRP A 18 -1.158 1.638 -10.714 1.00 0.00 N ATOM 227 CA TRP A 18 -1.074 1.938 -9.289 1.00 0.00 C ATOM 228 C TRP A 18 -0.319 0.841 -8.545 1.00 0.00 C ATOM 229 O TRP A 18 0.149 1.047 -7.425 1.00 0.00 O ATOM 230 CB TRP A 18 -2.475 2.101 -8.698 1.00 0.00 C ATOM 231 CG TRP A 18 -3.426 1.020 -9.117 1.00 0.00 C ATOM 232 CD1 TRP A 18 -4.407 1.113 -10.062 1.00 0.00 C ATOM 233 CD2 TRP A 18 -3.486 -0.315 -8.603 1.00 0.00 C ATOM 234 NE1 TRP A 18 -5.074 -0.084 -10.167 1.00 0.00 N ATOM 235 CE2 TRP A 18 -4.528 -0.976 -9.283 1.00 0.00 C ATOM 236 CE3 TRP A 18 -2.762 -1.016 -7.636 1.00 0.00 C ATOM 237 CZ2 TRP A 18 -4.860 -2.303 -9.025 1.00 0.00 C ATOM 238 CZ3 TRP A 18 -3.093 -2.333 -7.380 1.00 0.00 C ATOM 239 CH2 TRP A 18 -4.134 -2.966 -8.073 1.00 0.00 C ATOM 0 H TRP A 18 -2.009 1.151 -10.993 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.527 2.873 -9.172 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.404 2.111 -7.610 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -2.879 3.067 -9.000 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.627 1.997 -10.642 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.850 -0.277 -10.801 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.957 -0.537 -7.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.662 -2.792 -9.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.540 -2.884 -6.633 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.368 -3.997 -7.851 1.00 0.00 H new ATOM 250 N PHE A 19 -0.204 -0.323 -9.175 1.00 0.00 N ATOM 251 CA PHE A 19 0.494 -1.453 -8.572 1.00 0.00 C ATOM 252 C PHE A 19 2.002 -1.332 -8.775 1.00 0.00 C ATOM 253 O PHE A 19 2.463 -0.777 -9.773 1.00 0.00 O ATOM 254 CB PHE A 19 -0.008 -2.768 -9.170 1.00 0.00 C ATOM 255 CG PHE A 19 0.638 -3.985 -8.571 1.00 0.00 C ATOM 256 CD1 PHE A 19 0.335 -4.380 -7.278 1.00 0.00 C ATOM 257 CD2 PHE A 19 1.547 -4.733 -9.300 1.00 0.00 C ATOM 258 CE1 PHE A 19 0.929 -5.499 -6.724 1.00 0.00 C ATOM 259 CE2 PHE A 19 2.144 -5.852 -8.752 1.00 0.00 C ATOM 260 CZ PHE A 19 1.834 -6.236 -7.462 1.00 0.00 C ATOM 0 H PHE A 19 -0.585 -0.509 -10.103 1.00 0.00 H new ATOM 0 HA PHE A 19 0.287 -1.446 -7.502 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.087 -2.833 -9.030 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.174 -2.762 -10.245 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.373 -3.808 -6.697 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.792 -4.438 -10.310 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.685 -5.796 -5.715 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.852 -6.426 -9.332 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.298 -7.111 -7.031 1.00 0.00 H new ATOM 270 N HIS A 20 2.765 -1.855 -7.820 1.00 0.00 N ATOM 271 CA HIS A 20 4.221 -1.806 -7.894 1.00 0.00 C ATOM 272 C HIS A 20 4.833 -3.125 -7.432 1.00 0.00 C ATOM 273 O HIS A 20 4.483 -3.646 -6.374 1.00 0.00 O ATOM 274 CB HIS A 20 4.757 -0.655 -7.041 1.00 0.00 C ATOM 275 CG HIS A 20 4.848 0.645 -7.778 1.00 0.00 C ATOM 276 ND1 HIS A 20 5.992 1.067 -8.422 1.00 0.00 N ATOM 277 CD2 HIS A 20 3.928 1.619 -7.973 1.00 0.00 C ATOM 278 CE1 HIS A 20 5.773 2.244 -8.979 1.00 0.00 C ATOM 279 NE2 HIS A 20 4.527 2.601 -8.722 1.00 0.00 N ATOM 0 H HIS A 20 2.400 -2.317 -6.987 1.00 0.00 H new ATOM 0 HA HIS A 20 4.502 -1.640 -8.934 1.00 0.00 H new ATOM 0 HB2 HIS A 20 4.111 -0.526 -6.172 1.00 0.00 H new ATOM 0 HB3 HIS A 20 5.746 -0.921 -6.667 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.912 1.623 -7.607 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.490 2.817 -9.548 1.00 0.00 H new ATOM 0 HE2 HIS A 20 4.083 3.466 -9.030 1.00 0.00 H new ATOM 287 N GLY A 21 5.748 -3.660 -8.235 1.00 0.00 N ATOM 288 CA GLY A 21 6.392 -4.915 -7.892 1.00 0.00 C ATOM 289 C GLY A 21 7.887 -4.886 -8.144 1.00 0.00 C ATOM 290 O GLY A 21 8.658 -5.526 -7.429 1.00 0.00 O ATOM 0 H GLY A 21 6.055 -3.247 -9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.208 -5.139 -6.841 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.944 -5.721 -8.473 1.00 0.00 H new ATOM 294 N LYS A 22 8.299 -4.144 -9.166 1.00 0.00 N ATOM 295 CA LYS A 22 9.710 -4.034 -9.513 1.00 0.00 C ATOM 296 C LYS A 22 10.473 -3.251 -8.450 1.00 0.00 C ATOM 297 O LYS A 22 11.562 -3.649 -8.034 1.00 0.00 O ATOM 298 CB LYS A 22 9.871 -3.355 -10.875 1.00 0.00 C ATOM 299 CG LYS A 22 9.714 -4.304 -12.051 1.00 0.00 C ATOM 300 CD LYS A 22 11.036 -4.955 -12.422 1.00 0.00 C ATOM 301 CE LYS A 22 11.417 -6.046 -11.433 1.00 0.00 C ATOM 302 NZ LYS A 22 12.293 -7.077 -12.056 1.00 0.00 N ATOM 0 H LYS A 22 7.674 -3.609 -9.769 1.00 0.00 H new ATOM 0 HA LYS A 22 10.124 -5.041 -9.565 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.134 -2.556 -10.963 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.855 -2.888 -10.925 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.985 -5.075 -11.803 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.322 -3.759 -12.910 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.966 -5.379 -13.424 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.820 -4.198 -12.451 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.930 -5.601 -10.580 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.514 -6.520 -11.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.531 -7.803 -11.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.794 -7.520 -12.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.166 -6.629 -12.399 1.00 0.00 H new ATOM 316 N ILE A 23 9.894 -2.138 -8.013 1.00 0.00 N ATOM 317 CA ILE A 23 10.519 -1.301 -6.996 1.00 0.00 C ATOM 318 C ILE A 23 10.631 -2.042 -5.667 1.00 0.00 C ATOM 319 O ILE A 23 10.301 -3.224 -5.574 1.00 0.00 O ATOM 320 CB ILE A 23 9.730 0.004 -6.778 1.00 0.00 C ATOM 321 CG1 ILE A 23 8.380 -0.294 -6.123 1.00 0.00 C ATOM 322 CG2 ILE A 23 9.534 0.731 -8.100 1.00 0.00 C ATOM 323 CD1 ILE A 23 7.674 0.940 -5.605 1.00 0.00 C ATOM 0 H ILE A 23 8.993 -1.795 -8.347 1.00 0.00 H new ATOM 0 HA ILE A 23 11.517 -1.056 -7.359 1.00 0.00 H new ATOM 0 HB ILE A 23 10.301 0.650 -6.111 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.737 -0.794 -6.847 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.531 -0.990 -5.298 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.975 1.651 -7.930 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.506 0.971 -8.531 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.980 0.092 -8.788 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.724 0.653 -5.154 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.298 1.429 -4.857 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.491 1.628 -6.431 1.00 0.00 H new ATOM 335 N SER A 24 11.097 -1.337 -4.641 1.00 0.00 N ATOM 336 CA SER A 24 11.254 -1.928 -3.317 1.00 0.00 C ATOM 337 C SER A 24 10.474 -1.137 -2.272 1.00 0.00 C ATOM 338 O SER A 24 9.954 -0.057 -2.554 1.00 0.00 O ATOM 339 CB SER A 24 12.734 -1.982 -2.932 1.00 0.00 C ATOM 340 OG SER A 24 12.923 -2.713 -1.734 1.00 0.00 O ATOM 0 H SER A 24 11.372 -0.357 -4.701 1.00 0.00 H new ATOM 0 HA SER A 24 10.857 -2.942 -3.350 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.306 -2.443 -3.737 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.118 -0.969 -2.808 1.00 0.00 H new ATOM 0 HG SER A 24 13.877 -2.734 -1.511 1.00 0.00 H new ATOM 346 N LYS A 25 10.395 -1.682 -1.063 1.00 0.00 N ATOM 347 CA LYS A 25 9.680 -1.029 0.026 1.00 0.00 C ATOM 348 C LYS A 25 10.267 0.349 0.313 1.00 0.00 C ATOM 349 O LYS A 25 9.551 1.350 0.311 1.00 0.00 O ATOM 350 CB LYS A 25 9.734 -1.892 1.289 1.00 0.00 C ATOM 351 CG LYS A 25 9.193 -1.195 2.526 1.00 0.00 C ATOM 352 CD LYS A 25 8.924 -2.182 3.649 1.00 0.00 C ATOM 353 CE LYS A 25 8.152 -1.534 4.788 1.00 0.00 C ATOM 354 NZ LYS A 25 6.691 -1.473 4.503 1.00 0.00 N ATOM 0 H LYS A 25 10.818 -2.576 -0.813 1.00 0.00 H new ATOM 0 HA LYS A 25 8.640 -0.905 -0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.165 -2.806 1.119 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.767 -2.189 1.472 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.908 -0.444 2.864 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.272 -0.668 2.275 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.359 -3.030 3.262 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.869 -2.573 4.025 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.320 -2.096 5.707 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.532 -0.526 4.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.178 -1.217 5.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.510 -0.758 3.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.363 -2.402 4.169 1.00 0.00 H new ATOM 368 N GLN A 26 11.572 0.392 0.559 1.00 0.00 N ATOM 369 CA GLN A 26 12.254 1.648 0.846 1.00 0.00 C ATOM 370 C GLN A 26 11.990 2.675 -0.250 1.00 0.00 C ATOM 371 O GLN A 26 11.613 3.812 0.029 1.00 0.00 O ATOM 372 CB GLN A 26 13.759 1.415 0.991 1.00 0.00 C ATOM 373 CG GLN A 26 14.188 1.072 2.409 1.00 0.00 C ATOM 374 CD GLN A 26 15.675 1.265 2.632 1.00 0.00 C ATOM 375 OE1 GLN A 26 16.499 0.750 1.876 1.00 0.00 O ATOM 376 NE2 GLN A 26 16.026 2.011 3.673 1.00 0.00 N ATOM 0 H GLN A 26 12.178 -0.428 0.565 1.00 0.00 H new ATOM 0 HA GLN A 26 11.862 2.038 1.785 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.059 0.607 0.324 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.290 2.310 0.666 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.635 1.695 3.112 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.924 0.037 2.624 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.309 2.418 4.273 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.013 2.177 3.872 1.00 0.00 H new ATOM 385 N GLU A 27 12.192 2.265 -1.499 1.00 0.00 N ATOM 386 CA GLU A 27 11.976 3.150 -2.637 1.00 0.00 C ATOM 387 C GLU A 27 10.572 3.747 -2.604 1.00 0.00 C ATOM 388 O GLU A 27 10.405 4.966 -2.568 1.00 0.00 O ATOM 389 CB GLU A 27 12.190 2.392 -3.949 1.00 0.00 C ATOM 390 CG GLU A 27 13.645 2.317 -4.379 1.00 0.00 C ATOM 391 CD GLU A 27 14.118 3.588 -5.058 1.00 0.00 C ATOM 392 OE1 GLU A 27 14.504 4.535 -4.340 1.00 0.00 O ATOM 393 OE2 GLU A 27 14.103 3.636 -6.306 1.00 0.00 O ATOM 0 H GLU A 27 12.505 1.326 -1.748 1.00 0.00 H new ATOM 0 HA GLU A 27 12.699 3.963 -2.574 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.799 1.380 -3.842 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.612 2.875 -4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.268 2.122 -3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.776 1.475 -5.059 1.00 0.00 H new ATOM 400 N ALA A 28 9.566 2.879 -2.618 1.00 0.00 N ATOM 401 CA ALA A 28 8.177 3.319 -2.588 1.00 0.00 C ATOM 402 C ALA A 28 8.021 4.588 -1.758 1.00 0.00 C ATOM 403 O ALA A 28 7.345 5.532 -2.170 1.00 0.00 O ATOM 404 CB ALA A 28 7.285 2.214 -2.040 1.00 0.00 C ATOM 0 H ALA A 28 9.687 1.867 -2.650 1.00 0.00 H new ATOM 0 HA ALA A 28 7.871 3.545 -3.610 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.250 2.556 -2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.365 1.333 -2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.600 1.961 -1.028 1.00 0.00 H new ATOM 410 N TYR A 29 8.649 4.605 -0.587 1.00 0.00 N ATOM 411 CA TYR A 29 8.577 5.758 0.302 1.00 0.00 C ATOM 412 C TYR A 29 9.115 7.009 -0.383 1.00 0.00 C ATOM 413 O TYR A 29 8.459 8.050 -0.405 1.00 0.00 O ATOM 414 CB TYR A 29 9.363 5.487 1.586 1.00 0.00 C ATOM 415 CG TYR A 29 8.544 4.822 2.669 1.00 0.00 C ATOM 416 CD1 TYR A 29 7.499 5.496 3.290 1.00 0.00 C ATOM 417 CD2 TYR A 29 8.815 3.521 3.073 1.00 0.00 C ATOM 418 CE1 TYR A 29 6.748 4.893 4.280 1.00 0.00 C ATOM 419 CE2 TYR A 29 8.068 2.909 4.061 1.00 0.00 C ATOM 420 CZ TYR A 29 7.036 3.600 4.662 1.00 0.00 C ATOM 421 OH TYR A 29 6.292 2.994 5.648 1.00 0.00 O ATOM 0 H TYR A 29 9.213 3.833 -0.232 1.00 0.00 H new ATOM 0 HA TYR A 29 7.530 5.927 0.553 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.220 4.856 1.351 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.756 6.429 1.967 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.270 6.509 2.993 1.00 0.00 H new ATOM 0 HD2 TYR A 29 9.624 2.978 2.607 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.940 5.431 4.752 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.291 1.896 4.361 1.00 0.00 H new ATOM 0 HH TYR A 29 6.624 2.084 5.796 1.00 0.00 H new ATOM 431 N ASN A 30 10.315 6.899 -0.944 1.00 0.00 N ATOM 432 CA ASN A 30 10.944 8.021 -1.631 1.00 0.00 C ATOM 433 C ASN A 30 10.148 8.415 -2.871 1.00 0.00 C ATOM 434 O ASN A 30 9.918 9.598 -3.126 1.00 0.00 O ATOM 435 CB ASN A 30 12.379 7.666 -2.025 1.00 0.00 C ATOM 436 CG ASN A 30 13.253 8.894 -2.196 1.00 0.00 C ATOM 437 OD1 ASN A 30 12.971 9.953 -1.635 1.00 0.00 O ATOM 438 ND2 ASN A 30 14.319 8.757 -2.975 1.00 0.00 N ATOM 0 H ASN A 30 10.871 6.044 -0.936 1.00 0.00 H new ATOM 0 HA ASN A 30 10.961 8.869 -0.947 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.812 7.018 -1.263 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.368 7.099 -2.956 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.943 9.549 -3.129 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.514 7.860 -3.420 1.00 0.00 H new ATOM 445 N LEU A 31 9.728 7.416 -3.640 1.00 0.00 N ATOM 446 CA LEU A 31 8.956 7.656 -4.854 1.00 0.00 C ATOM 447 C LEU A 31 7.779 8.587 -4.576 1.00 0.00 C ATOM 448 O LEU A 31 7.725 9.707 -5.086 1.00 0.00 O ATOM 449 CB LEU A 31 8.449 6.333 -5.430 1.00 0.00 C ATOM 450 CG LEU A 31 9.473 5.503 -6.205 1.00 0.00 C ATOM 451 CD1 LEU A 31 9.053 4.042 -6.248 1.00 0.00 C ATOM 452 CD2 LEU A 31 9.648 6.051 -7.614 1.00 0.00 C ATOM 0 H LEU A 31 9.909 6.432 -3.444 1.00 0.00 H new ATOM 0 HA LEU A 31 9.611 8.135 -5.582 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.065 5.726 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.608 6.546 -6.091 1.00 0.00 H new ATOM 0 HG LEU A 31 10.431 5.570 -5.689 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.794 3.467 -6.804 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.980 3.654 -5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.084 3.956 -6.739 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.380 5.448 -8.151 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.694 6.015 -8.139 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.996 7.083 -7.563 1.00 0.00 H new ATOM 464 N LEU A 32 6.840 8.117 -3.762 1.00 0.00 N ATOM 465 CA LEU A 32 5.665 8.907 -3.413 1.00 0.00 C ATOM 466 C LEU A 32 6.065 10.310 -2.967 1.00 0.00 C ATOM 467 O LEU A 32 5.252 11.234 -2.987 1.00 0.00 O ATOM 468 CB LEU A 32 4.870 8.214 -2.305 1.00 0.00 C ATOM 469 CG LEU A 32 3.799 7.224 -2.766 1.00 0.00 C ATOM 470 CD1 LEU A 32 3.313 6.382 -1.597 1.00 0.00 C ATOM 471 CD2 LEU A 32 2.636 7.960 -3.415 1.00 0.00 C ATOM 0 H LEU A 32 6.870 7.193 -3.331 1.00 0.00 H new ATOM 0 HA LEU A 32 5.039 8.993 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.571 7.686 -1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.390 8.980 -1.696 1.00 0.00 H new ATOM 0 HG LEU A 32 4.241 6.559 -3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.551 5.683 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.151 5.826 -1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.888 7.032 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.884 7.240 -3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.194 8.649 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.996 8.519 -4.279 1.00 0.00 H new ATOM 483 N MET A 33 7.323 10.462 -2.566 1.00 0.00 N ATOM 484 CA MET A 33 7.831 11.753 -2.118 1.00 0.00 C ATOM 485 C MET A 33 8.389 12.554 -3.290 1.00 0.00 C ATOM 486 O MET A 33 8.370 13.785 -3.279 1.00 0.00 O ATOM 487 CB MET A 33 8.916 11.557 -1.057 1.00 0.00 C ATOM 488 CG MET A 33 8.377 11.520 0.364 1.00 0.00 C ATOM 489 SD MET A 33 8.320 13.153 1.128 1.00 0.00 S ATOM 490 CE MET A 33 7.428 14.079 -0.119 1.00 0.00 C ATOM 0 H MET A 33 8.009 9.707 -2.542 1.00 0.00 H new ATOM 0 HA MET A 33 7.002 12.310 -1.682 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.447 10.627 -1.260 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.644 12.364 -1.140 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.375 11.091 0.357 1.00 0.00 H new ATOM 0 HG3 MET A 33 9.001 10.862 0.968 1.00 0.00 H new ATOM 0 HE1 MET A 33 7.188 15.070 0.266 1.00 0.00 H new ATOM 0 HE2 MET A 33 8.046 14.176 -1.011 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.506 13.555 -0.372 1.00 0.00 H new ATOM 500 N THR A 34 8.885 11.848 -4.302 1.00 0.00 N ATOM 501 CA THR A 34 9.449 12.493 -5.481 1.00 0.00 C ATOM 502 C THR A 34 8.492 12.408 -6.664 1.00 0.00 C ATOM 503 O THR A 34 7.850 13.394 -7.028 1.00 0.00 O ATOM 504 CB THR A 34 10.796 11.860 -5.877 1.00 0.00 C ATOM 505 OG1 THR A 34 10.605 10.487 -6.237 1.00 0.00 O ATOM 506 CG2 THR A 34 11.796 11.956 -4.735 1.00 0.00 C ATOM 0 H THR A 34 8.907 10.829 -4.328 1.00 0.00 H new ATOM 0 HA THR A 34 9.610 13.540 -5.223 1.00 0.00 H new ATOM 0 HB THR A 34 11.192 12.408 -6.732 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.466 10.092 -6.489 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.739 11.502 -5.038 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.961 13.004 -4.483 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.405 11.431 -3.864 1.00 0.00 H new ATOM 514 N VAL A 35 8.401 11.225 -7.262 1.00 0.00 N ATOM 515 CA VAL A 35 7.520 11.011 -8.404 1.00 0.00 C ATOM 516 C VAL A 35 6.062 11.236 -8.024 1.00 0.00 C ATOM 517 O VAL A 35 5.302 11.853 -8.770 1.00 0.00 O ATOM 518 CB VAL A 35 7.677 9.589 -8.975 1.00 0.00 C ATOM 519 CG1 VAL A 35 9.107 9.353 -9.438 1.00 0.00 C ATOM 520 CG2 VAL A 35 7.265 8.552 -7.941 1.00 0.00 C ATOM 0 H VAL A 35 8.927 10.400 -6.975 1.00 0.00 H new ATOM 0 HA VAL A 35 7.809 11.735 -9.166 1.00 0.00 H new ATOM 0 HB VAL A 35 7.020 9.489 -9.839 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.198 8.343 -9.838 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.362 10.075 -10.214 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.787 9.472 -8.594 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.382 7.553 -8.361 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.895 8.650 -7.057 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.223 8.709 -7.664 1.00 0.00 H new ATOM 530 N GLY A 36 5.676 10.732 -6.856 1.00 0.00 N ATOM 531 CA GLY A 36 4.308 10.889 -6.395 1.00 0.00 C ATOM 532 C GLY A 36 4.080 12.215 -5.697 1.00 0.00 C ATOM 533 O GLY A 36 5.033 12.887 -5.303 1.00 0.00 O ATOM 0 H GLY A 36 6.286 10.218 -6.220 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.630 10.808 -7.245 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.062 10.076 -5.712 1.00 0.00 H new ATOM 537 N GLN A 37 2.815 12.592 -5.546 1.00 0.00 N ATOM 538 CA GLN A 37 2.466 13.848 -4.893 1.00 0.00 C ATOM 539 C GLN A 37 1.526 13.607 -3.716 1.00 0.00 C ATOM 540 O GLN A 37 1.092 12.480 -3.475 1.00 0.00 O ATOM 541 CB GLN A 37 1.813 14.804 -5.894 1.00 0.00 C ATOM 542 CG GLN A 37 1.830 16.257 -5.447 1.00 0.00 C ATOM 543 CD GLN A 37 3.101 16.625 -4.708 1.00 0.00 C ATOM 544 OE1 GLN A 37 3.184 16.489 -3.487 1.00 0.00 O ATOM 545 NE2 GLN A 37 4.100 17.096 -5.445 1.00 0.00 N ATOM 0 H GLN A 37 2.015 12.046 -5.867 1.00 0.00 H new ATOM 0 HA GLN A 37 3.384 14.299 -4.516 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.327 14.721 -6.852 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.781 14.495 -6.059 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.721 16.903 -6.318 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.972 16.445 -4.802 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.988 17.192 -6.454 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.980 17.362 -5.002 1.00 0.00 H new ATOM 554 N VAL A 38 1.217 14.673 -2.984 1.00 0.00 N ATOM 555 CA VAL A 38 0.328 14.577 -1.832 1.00 0.00 C ATOM 556 C VAL A 38 -0.984 13.897 -2.205 1.00 0.00 C ATOM 557 O VAL A 38 -1.740 13.464 -1.335 1.00 0.00 O ATOM 558 CB VAL A 38 0.024 15.966 -1.240 1.00 0.00 C ATOM 559 CG1 VAL A 38 -1.006 15.859 -0.127 1.00 0.00 C ATOM 560 CG2 VAL A 38 1.301 16.621 -0.735 1.00 0.00 C ATOM 0 H VAL A 38 1.569 15.612 -3.168 1.00 0.00 H new ATOM 0 HA VAL A 38 0.845 13.977 -1.083 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.392 16.594 -2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.208 16.850 0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.928 15.435 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.622 15.215 0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.067 17.602 -0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.749 15.997 0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.003 16.734 -1.561 1.00 0.00 H new ATOM 570 N CYS A 39 -1.249 13.807 -3.504 1.00 0.00 N ATOM 571 CA CYS A 39 -2.471 13.180 -3.993 1.00 0.00 C ATOM 572 C CYS A 39 -2.151 11.956 -4.845 1.00 0.00 C ATOM 573 O CYS A 39 -2.814 11.696 -5.850 1.00 0.00 O ATOM 574 CB CYS A 39 -3.293 14.181 -4.806 1.00 0.00 C ATOM 575 SG CYS A 39 -3.598 15.748 -3.956 1.00 0.00 S ATOM 0 H CYS A 39 -0.634 14.160 -4.237 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.054 12.858 -3.130 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.775 14.383 -5.744 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.250 13.726 -5.062 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.298 16.529 -4.724 1.00 0.00 H new ATOM 581 N SER A 40 -1.130 11.209 -4.438 1.00 0.00 N ATOM 582 CA SER A 40 -0.718 10.015 -5.168 1.00 0.00 C ATOM 583 C SER A 40 -0.571 8.826 -4.224 1.00 0.00 C ATOM 584 O SER A 40 0.009 8.943 -3.144 1.00 0.00 O ATOM 585 CB SER A 40 0.603 10.268 -5.897 1.00 0.00 C ATOM 586 OG SER A 40 0.526 11.433 -6.701 1.00 0.00 O ATOM 0 H SER A 40 -0.573 11.409 -3.607 1.00 0.00 H new ATOM 0 HA SER A 40 -1.490 9.782 -5.901 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.408 10.376 -5.170 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.849 9.408 -6.520 1.00 0.00 H new ATOM 0 HG SER A 40 1.220 11.400 -7.392 1.00 0.00 H new ATOM 592 N PHE A 41 -1.100 7.680 -4.639 1.00 0.00 N ATOM 593 CA PHE A 41 -1.029 6.468 -3.832 1.00 0.00 C ATOM 594 C PHE A 41 -0.565 5.281 -4.671 1.00 0.00 C ATOM 595 O PHE A 41 -0.360 5.403 -5.880 1.00 0.00 O ATOM 596 CB PHE A 41 -2.393 6.164 -3.209 1.00 0.00 C ATOM 597 CG PHE A 41 -3.372 5.559 -4.175 1.00 0.00 C ATOM 598 CD1 PHE A 41 -3.956 6.333 -5.165 1.00 0.00 C ATOM 599 CD2 PHE A 41 -3.708 4.217 -4.092 1.00 0.00 C ATOM 600 CE1 PHE A 41 -4.857 5.779 -6.055 1.00 0.00 C ATOM 601 CE2 PHE A 41 -4.608 3.658 -4.979 1.00 0.00 C ATOM 602 CZ PHE A 41 -5.183 4.440 -5.962 1.00 0.00 C ATOM 0 H PHE A 41 -1.583 7.565 -5.530 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.302 6.634 -3.037 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.256 5.483 -2.369 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.814 7.086 -2.807 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.704 7.380 -5.242 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.261 3.601 -3.325 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.306 6.393 -6.822 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.862 2.611 -4.904 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.886 4.005 -6.657 1.00 0.00 H new ATOM 612 N LEU A 42 -0.401 4.133 -4.023 1.00 0.00 N ATOM 613 CA LEU A 42 0.039 2.923 -4.708 1.00 0.00 C ATOM 614 C LEU A 42 -0.145 1.697 -3.820 1.00 0.00 C ATOM 615 O LEU A 42 -0.066 1.787 -2.595 1.00 0.00 O ATOM 616 CB LEU A 42 1.506 3.052 -5.121 1.00 0.00 C ATOM 617 CG LEU A 42 2.534 2.925 -3.995 1.00 0.00 C ATOM 618 CD1 LEU A 42 2.821 1.461 -3.698 1.00 0.00 C ATOM 619 CD2 LEU A 42 3.816 3.659 -4.358 1.00 0.00 C ATOM 0 H LEU A 42 -0.566 4.015 -3.023 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.574 2.797 -5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.720 2.289 -5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.643 4.020 -5.604 1.00 0.00 H new ATOM 0 HG LEU A 42 2.120 3.383 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.554 1.390 -2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.900 0.964 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.215 0.979 -4.593 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.536 3.558 -3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.235 3.231 -5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.598 4.715 -4.520 1.00 0.00 H new ATOM 631 N VAL A 43 -0.390 0.550 -4.447 1.00 0.00 N ATOM 632 CA VAL A 43 -0.582 -0.696 -3.714 1.00 0.00 C ATOM 633 C VAL A 43 0.662 -1.574 -3.787 1.00 0.00 C ATOM 634 O VAL A 43 1.186 -1.836 -4.870 1.00 0.00 O ATOM 635 CB VAL A 43 -1.787 -1.486 -4.258 1.00 0.00 C ATOM 636 CG1 VAL A 43 -1.950 -2.797 -3.504 1.00 0.00 C ATOM 637 CG2 VAL A 43 -3.055 -0.650 -4.170 1.00 0.00 C ATOM 0 H VAL A 43 -0.460 0.458 -5.460 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.772 -0.426 -2.675 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.604 -1.718 -5.307 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.806 -3.342 -3.902 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.049 -3.400 -3.623 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.111 -2.591 -2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.897 -1.223 -4.559 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.245 -0.386 -3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.933 0.259 -4.759 1.00 0.00 H new ATOM 647 N ARG A 44 1.130 -2.025 -2.628 1.00 0.00 N ATOM 648 CA ARG A 44 2.313 -2.874 -2.560 1.00 0.00 C ATOM 649 C ARG A 44 2.082 -4.056 -1.623 1.00 0.00 C ATOM 650 O ARG A 44 1.469 -3.928 -0.563 1.00 0.00 O ATOM 651 CB ARG A 44 3.522 -2.064 -2.088 1.00 0.00 C ATOM 652 CG ARG A 44 4.514 -2.872 -1.268 1.00 0.00 C ATOM 653 CD ARG A 44 5.922 -2.308 -1.384 1.00 0.00 C ATOM 654 NE ARG A 44 6.661 -2.903 -2.494 1.00 0.00 N ATOM 655 CZ ARG A 44 6.750 -2.350 -3.698 1.00 0.00 C ATOM 656 NH1 ARG A 44 6.150 -1.194 -3.947 1.00 0.00 N ATOM 657 NH2 ARG A 44 7.441 -2.953 -4.657 1.00 0.00 N ATOM 0 H ARG A 44 0.708 -1.817 -1.723 1.00 0.00 H new ATOM 0 HA ARG A 44 2.510 -3.259 -3.560 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.034 -1.651 -2.957 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.173 -1.220 -1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.207 -2.874 -0.222 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.507 -3.909 -1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.870 -1.228 -1.521 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.461 -2.485 -0.453 1.00 0.00 H new ATOM 0 HE ARG A 44 7.135 -3.792 -2.336 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.618 -0.727 -3.213 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.220 -0.772 -4.873 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.904 -3.842 -4.470 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.509 -2.527 -5.581 1.00 0.00 H new ATOM 671 N PRO A 45 2.583 -5.235 -2.022 1.00 0.00 N ATOM 672 CA PRO A 45 2.443 -6.462 -1.233 1.00 0.00 C ATOM 673 C PRO A 45 3.277 -6.428 0.043 1.00 0.00 C ATOM 674 O PRO A 45 4.380 -5.881 0.061 1.00 0.00 O ATOM 675 CB PRO A 45 2.955 -7.552 -2.178 1.00 0.00 C ATOM 676 CG PRO A 45 3.884 -6.845 -3.104 1.00 0.00 C ATOM 677 CD PRO A 45 3.324 -5.460 -3.275 1.00 0.00 C ATOM 0 HA PRO A 45 1.417 -6.617 -0.898 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.468 -8.342 -1.630 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.135 -8.022 -2.722 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.893 -6.810 -2.693 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.948 -7.361 -4.062 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.114 -4.721 -3.413 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.671 -5.395 -4.145 1.00 0.00 H new ATOM 685 N SER A 46 2.745 -7.018 1.109 1.00 0.00 N ATOM 686 CA SER A 46 3.439 -7.052 2.390 1.00 0.00 C ATOM 687 C SER A 46 4.314 -8.297 2.501 1.00 0.00 C ATOM 688 O SER A 46 3.929 -9.381 2.060 1.00 0.00 O ATOM 689 CB SER A 46 2.432 -7.019 3.541 1.00 0.00 C ATOM 690 OG SER A 46 2.149 -5.687 3.933 1.00 0.00 O ATOM 0 H SER A 46 1.835 -7.479 1.110 1.00 0.00 H new ATOM 0 HA SER A 46 4.079 -6.172 2.451 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.511 -7.515 3.237 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.828 -7.575 4.391 1.00 0.00 H new ATOM 0 HG SER A 46 1.502 -5.693 4.669 1.00 0.00 H new ATOM 757 N ASP A 52 -0.686 -10.687 2.770 1.00 0.00 N ATOM 758 CA ASP A 52 -1.136 -9.387 3.254 1.00 0.00 C ATOM 759 C ASP A 52 -0.671 -8.270 2.324 1.00 0.00 C ATOM 760 O ASP A 52 0.211 -8.471 1.490 1.00 0.00 O ATOM 761 CB ASP A 52 -0.616 -9.138 4.671 1.00 0.00 C ATOM 762 CG ASP A 52 -1.435 -8.101 5.414 1.00 0.00 C ATOM 763 OD1 ASP A 52 -2.420 -8.486 6.076 1.00 0.00 O ATOM 764 OD2 ASP A 52 -1.091 -6.903 5.332 1.00 0.00 O ATOM 0 HA ASP A 52 -2.226 -9.391 3.271 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.628 -10.074 5.229 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.422 -8.810 4.622 1.00 0.00 H new ATOM 769 N TYR A 53 -1.271 -7.095 2.474 1.00 0.00 N ATOM 770 CA TYR A 53 -0.921 -5.947 1.645 1.00 0.00 C ATOM 771 C TYR A 53 -0.970 -4.655 2.456 1.00 0.00 C ATOM 772 O TYR A 53 -1.340 -4.659 3.630 1.00 0.00 O ATOM 773 CB TYR A 53 -1.869 -5.847 0.449 1.00 0.00 C ATOM 774 CG TYR A 53 -1.577 -6.855 -0.640 1.00 0.00 C ATOM 775 CD1 TYR A 53 -2.026 -8.166 -0.539 1.00 0.00 C ATOM 776 CD2 TYR A 53 -0.853 -6.495 -1.771 1.00 0.00 C ATOM 777 CE1 TYR A 53 -1.760 -9.090 -1.532 1.00 0.00 C ATOM 778 CE2 TYR A 53 -0.585 -7.412 -2.769 1.00 0.00 C ATOM 779 CZ TYR A 53 -1.040 -8.708 -2.644 1.00 0.00 C ATOM 780 OH TYR A 53 -0.775 -9.625 -3.636 1.00 0.00 O ATOM 0 H TYR A 53 -2.002 -6.912 3.162 1.00 0.00 H new ATOM 0 HA TYR A 53 0.097 -6.090 1.282 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.893 -5.985 0.795 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.807 -4.843 0.029 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.592 -8.468 0.330 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.494 -5.481 -1.871 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.114 -10.106 -1.437 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.022 -7.116 -3.642 1.00 0.00 H new ATOM 0 HH TYR A 53 -0.259 -9.195 -4.350 1.00 0.00 H new ATOM 790 N SER A 54 -0.593 -3.551 1.819 1.00 0.00 N ATOM 791 CA SER A 54 -0.590 -2.251 2.481 1.00 0.00 C ATOM 792 C SER A 54 -0.674 -1.122 1.459 1.00 0.00 C ATOM 793 O SER A 54 -0.031 -1.169 0.409 1.00 0.00 O ATOM 794 CB SER A 54 0.671 -2.091 3.332 1.00 0.00 C ATOM 795 OG SER A 54 0.572 -2.832 4.535 1.00 0.00 O ATOM 0 H SER A 54 -0.286 -3.530 0.847 1.00 0.00 H new ATOM 0 HA SER A 54 -1.465 -2.198 3.128 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.540 -2.425 2.766 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.827 -1.037 3.562 1.00 0.00 H new ATOM 0 HG SER A 54 -0.158 -3.481 4.460 1.00 0.00 H new ATOM 801 N LEU A 55 -1.471 -0.106 1.773 1.00 0.00 N ATOM 802 CA LEU A 55 -1.641 1.037 0.883 1.00 0.00 C ATOM 803 C LEU A 55 -0.708 2.178 1.278 1.00 0.00 C ATOM 804 O LEU A 55 -0.426 2.382 2.459 1.00 0.00 O ATOM 805 CB LEU A 55 -3.092 1.518 0.909 1.00 0.00 C ATOM 806 CG LEU A 55 -3.511 2.450 -0.228 1.00 0.00 C ATOM 807 CD1 LEU A 55 -4.007 1.647 -1.421 1.00 0.00 C ATOM 808 CD2 LEU A 55 -4.583 3.421 0.246 1.00 0.00 C ATOM 0 H LEU A 55 -2.010 -0.051 2.637 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.389 0.719 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.744 0.644 0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.267 2.030 1.855 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.640 3.026 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.301 2.327 -2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.211 0.993 -1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.865 1.045 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.869 4.077 -0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.455 2.863 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.193 4.020 1.069 1.00 0.00 H new ATOM 820 N TYR A 56 -0.234 2.918 0.282 1.00 0.00 N ATOM 821 CA TYR A 56 0.668 4.039 0.525 1.00 0.00 C ATOM 822 C TYR A 56 0.112 5.326 -0.077 1.00 0.00 C ATOM 823 O TYR A 56 -0.273 5.362 -1.246 1.00 0.00 O ATOM 824 CB TYR A 56 2.050 3.745 -0.059 1.00 0.00 C ATOM 825 CG TYR A 56 2.831 2.713 0.723 1.00 0.00 C ATOM 826 CD1 TYR A 56 3.568 3.074 1.844 1.00 0.00 C ATOM 827 CD2 TYR A 56 2.832 1.377 0.341 1.00 0.00 C ATOM 828 CE1 TYR A 56 4.283 2.134 2.561 1.00 0.00 C ATOM 829 CE2 TYR A 56 3.543 0.431 1.052 1.00 0.00 C ATOM 830 CZ TYR A 56 4.268 0.814 2.162 1.00 0.00 C ATOM 831 OH TYR A 56 4.979 -0.124 2.874 1.00 0.00 O ATOM 0 H TYR A 56 -0.459 2.763 -0.701 1.00 0.00 H new ATOM 0 HA TYR A 56 0.758 4.173 1.603 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.935 3.400 -1.086 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.624 4.671 -0.096 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.582 4.107 2.160 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.267 1.073 -0.528 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.851 2.432 3.430 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.532 -0.603 0.741 1.00 0.00 H new ATOM 0 HH TYR A 56 4.862 -1.005 2.462 1.00 0.00 H new ATOM 841 N PHE A 57 0.073 6.380 0.731 1.00 0.00 N ATOM 842 CA PHE A 57 -0.435 7.670 0.280 1.00 0.00 C ATOM 843 C PHE A 57 0.319 8.816 0.948 1.00 0.00 C ATOM 844 O PHE A 57 0.765 8.698 2.089 1.00 0.00 O ATOM 845 CB PHE A 57 -1.931 7.786 0.580 1.00 0.00 C ATOM 846 CG PHE A 57 -2.547 9.060 0.076 1.00 0.00 C ATOM 847 CD1 PHE A 57 -2.492 9.387 -1.269 1.00 0.00 C ATOM 848 CD2 PHE A 57 -3.180 9.931 0.948 1.00 0.00 C ATOM 849 CE1 PHE A 57 -3.058 10.559 -1.736 1.00 0.00 C ATOM 850 CE2 PHE A 57 -3.748 11.103 0.488 1.00 0.00 C ATOM 851 CZ PHE A 57 -3.686 11.418 -0.856 1.00 0.00 C ATOM 0 H PHE A 57 0.387 6.366 1.701 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.281 7.736 -0.797 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.450 6.939 0.132 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.084 7.719 1.657 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.001 8.719 -1.961 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.230 9.691 2.000 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.009 10.802 -2.787 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.240 11.772 1.178 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.128 12.335 -1.218 1.00 0.00 H new ATOM 861 N ARG A 58 0.457 9.925 0.228 1.00 0.00 N ATOM 862 CA ARG A 58 1.158 11.092 0.750 1.00 0.00 C ATOM 863 C ARG A 58 0.170 12.130 1.275 1.00 0.00 C ATOM 864 O ARG A 58 -0.932 12.278 0.747 1.00 0.00 O ATOM 865 CB ARG A 58 2.037 11.713 -0.337 1.00 0.00 C ATOM 866 CG ARG A 58 2.691 13.020 0.082 1.00 0.00 C ATOM 867 CD ARG A 58 3.943 12.776 0.910 1.00 0.00 C ATOM 868 NE ARG A 58 4.248 13.904 1.786 1.00 0.00 N ATOM 869 CZ ARG A 58 4.633 15.095 1.343 1.00 0.00 C ATOM 870 NH1 ARG A 58 4.760 15.313 0.041 1.00 0.00 N ATOM 871 NH2 ARG A 58 4.892 16.072 2.203 1.00 0.00 N ATOM 0 H ARG A 58 0.093 10.040 -0.718 1.00 0.00 H new ATOM 0 HA ARG A 58 1.789 10.766 1.577 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.814 11.001 -0.615 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.431 11.888 -1.226 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.947 13.601 -0.804 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.982 13.614 0.659 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.811 11.876 1.511 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.788 12.594 0.245 1.00 0.00 H new ATOM 0 HE ARG A 58 4.160 13.770 2.793 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.562 14.565 -0.623 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.056 16.229 -0.296 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.795 15.908 3.205 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.188 16.987 1.862 1.00 0.00 H new ATOM 885 N THR A 59 0.573 12.847 2.319 1.00 0.00 N ATOM 886 CA THR A 59 -0.276 13.870 2.917 1.00 0.00 C ATOM 887 C THR A 59 0.545 15.076 3.360 1.00 0.00 C ATOM 888 O THR A 59 1.774 15.043 3.341 1.00 0.00 O ATOM 889 CB THR A 59 -1.051 13.318 4.129 1.00 0.00 C ATOM 890 OG1 THR A 59 -0.136 12.904 5.149 1.00 0.00 O ATOM 891 CG2 THR A 59 -1.930 12.145 3.720 1.00 0.00 C ATOM 0 H THR A 59 1.482 12.738 2.768 1.00 0.00 H new ATOM 0 HA THR A 59 -0.986 14.179 2.150 1.00 0.00 H new ATOM 0 HB THR A 59 -1.690 14.112 4.517 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.270 12.048 4.897 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.467 11.772 4.592 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.645 12.472 2.965 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.308 11.350 3.310 1.00 0.00 H new ATOM 899 N ASN A 60 -0.144 16.140 3.759 1.00 0.00 N ATOM 900 CA ASN A 60 0.522 17.358 4.207 1.00 0.00 C ATOM 901 C ASN A 60 1.434 17.073 5.397 1.00 0.00 C ATOM 902 O ASN A 60 2.552 17.581 5.469 1.00 0.00 O ATOM 903 CB ASN A 60 -0.512 18.420 4.586 1.00 0.00 C ATOM 904 CG ASN A 60 -1.027 19.181 3.380 1.00 0.00 C ATOM 905 OD1 ASN A 60 -0.479 19.073 2.283 1.00 0.00 O ATOM 906 ND2 ASN A 60 -2.087 19.957 3.578 1.00 0.00 N ATOM 0 H ASN A 60 -1.163 16.184 3.781 1.00 0.00 H new ATOM 0 HA ASN A 60 1.132 17.732 3.385 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.349 17.943 5.096 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.067 19.121 5.292 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.478 20.493 2.804 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.510 20.017 4.504 1.00 0.00 H new ATOM 913 N GLU A 61 0.947 16.257 6.326 1.00 0.00 N ATOM 914 CA GLU A 61 1.718 15.905 7.513 1.00 0.00 C ATOM 915 C GLU A 61 2.849 14.942 7.161 1.00 0.00 C ATOM 916 O GLU A 61 4.026 15.276 7.292 1.00 0.00 O ATOM 917 CB GLU A 61 0.809 15.276 8.571 1.00 0.00 C ATOM 918 CG GLU A 61 1.270 15.530 9.997 1.00 0.00 C ATOM 919 CD GLU A 61 1.552 16.995 10.267 1.00 0.00 C ATOM 920 OE1 GLU A 61 0.824 17.849 9.720 1.00 0.00 O ATOM 921 OE2 GLU A 61 2.501 17.287 11.024 1.00 0.00 O ATOM 0 H GLU A 61 0.023 15.827 6.280 1.00 0.00 H new ATOM 0 HA GLU A 61 2.154 16.819 7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.201 15.667 8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.757 14.201 8.401 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.506 15.177 10.690 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.171 14.948 10.193 1.00 0.00 H new ATOM 928 N ASN A 62 2.482 13.746 6.713 1.00 0.00 N ATOM 929 CA ASN A 62 3.464 12.734 6.343 1.00 0.00 C ATOM 930 C ASN A 62 2.784 11.514 5.730 1.00 0.00 C ATOM 931 O ASN A 62 1.651 11.181 6.080 1.00 0.00 O ATOM 932 CB ASN A 62 4.282 12.315 7.566 1.00 0.00 C ATOM 933 CG ASN A 62 3.414 11.760 8.679 1.00 0.00 C ATOM 934 OD1 ASN A 62 2.495 10.978 8.433 1.00 0.00 O ATOM 935 ND2 ASN A 62 3.701 12.164 9.911 1.00 0.00 N ATOM 0 H ASN A 62 1.512 13.454 6.597 1.00 0.00 H new ATOM 0 HA ASN A 62 4.132 13.168 5.599 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.014 11.563 7.270 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.840 13.174 7.938 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.151 11.825 10.700 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.472 12.813 10.068 1.00 0.00 H new ATOM 942 N ILE A 63 3.483 10.851 4.814 1.00 0.00 N ATOM 943 CA ILE A 63 2.947 9.667 4.154 1.00 0.00 C ATOM 944 C ILE A 63 2.243 8.753 5.151 1.00 0.00 C ATOM 945 O ILE A 63 2.803 8.404 6.190 1.00 0.00 O ATOM 946 CB ILE A 63 4.055 8.871 3.439 1.00 0.00 C ATOM 947 CG1 ILE A 63 4.716 9.731 2.360 1.00 0.00 C ATOM 948 CG2 ILE A 63 3.485 7.597 2.833 1.00 0.00 C ATOM 949 CD1 ILE A 63 5.985 9.129 1.800 1.00 0.00 C ATOM 0 H ILE A 63 4.421 11.114 4.512 1.00 0.00 H new ATOM 0 HA ILE A 63 2.227 10.017 3.414 1.00 0.00 H new ATOM 0 HB ILE A 63 4.813 8.594 4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.008 9.886 1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.942 10.712 2.777 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.280 7.045 2.331 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.057 6.979 3.622 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.709 7.853 2.111 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.398 9.793 1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.711 8.999 2.603 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.762 8.161 1.353 1.00 0.00 H new ATOM 961 N GLN A 64 1.013 8.368 4.826 1.00 0.00 N ATOM 962 CA GLN A 64 0.233 7.493 5.694 1.00 0.00 C ATOM 963 C GLN A 64 0.382 6.035 5.272 1.00 0.00 C ATOM 964 O GLN A 64 0.853 5.742 4.173 1.00 0.00 O ATOM 965 CB GLN A 64 -1.243 7.896 5.666 1.00 0.00 C ATOM 966 CG GLN A 64 -1.515 9.252 6.297 1.00 0.00 C ATOM 967 CD GLN A 64 -2.897 9.343 6.913 1.00 0.00 C ATOM 968 OE1 GLN A 64 -3.723 10.238 6.385 1.00 0.00 O flip ATOM 969 NE2 GLN A 64 -3.219 8.615 7.853 1.00 0.00 N flip ATOM 0 H GLN A 64 0.535 8.648 3.969 1.00 0.00 H new ATOM 0 HA GLN A 64 0.612 7.599 6.710 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.588 7.910 4.632 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.828 7.138 6.187 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.766 9.448 7.064 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.407 10.029 5.540 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.552 7.941 8.228 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.153 8.686 8.257 1.00 0.00 H new ATOM 978 N ARG A 65 -0.022 5.126 6.153 1.00 0.00 N ATOM 979 CA ARG A 65 0.068 3.698 5.872 1.00 0.00 C ATOM 980 C ARG A 65 -1.193 2.972 6.334 1.00 0.00 C ATOM 981 O ARG A 65 -1.560 3.029 7.508 1.00 0.00 O ATOM 982 CB ARG A 65 1.295 3.098 6.560 1.00 0.00 C ATOM 983 CG ARG A 65 1.371 1.583 6.458 1.00 0.00 C ATOM 984 CD ARG A 65 2.525 1.027 7.277 1.00 0.00 C ATOM 985 NE ARG A 65 2.133 0.750 8.657 1.00 0.00 N ATOM 986 CZ ARG A 65 2.996 0.438 9.617 1.00 0.00 C ATOM 987 NH1 ARG A 65 4.292 0.363 9.350 1.00 0.00 N ATOM 988 NH2 ARG A 65 2.563 0.200 10.849 1.00 0.00 N ATOM 0 H ARG A 65 -0.415 5.353 7.067 1.00 0.00 H new ATOM 0 HA ARG A 65 0.165 3.571 4.794 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.195 3.529 6.120 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.287 3.383 7.612 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.434 1.146 6.804 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.491 1.293 5.414 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.891 0.111 6.813 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.350 1.739 7.270 1.00 0.00 H new ATOM 0 HE ARG A 65 1.143 0.799 8.896 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.629 0.545 8.405 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.952 0.123 10.090 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.566 0.257 11.059 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.227 -0.040 11.585 1.00 0.00 H new ATOM 1002 N PHE A 66 -1.852 2.291 5.403 1.00 0.00 N ATOM 1003 CA PHE A 66 -3.072 1.556 5.714 1.00 0.00 C ATOM 1004 C PHE A 66 -2.809 0.053 5.741 1.00 0.00 C ATOM 1005 O PHE A 66 -1.825 -0.428 5.180 1.00 0.00 O ATOM 1006 CB PHE A 66 -4.161 1.876 4.688 1.00 0.00 C ATOM 1007 CG PHE A 66 -4.530 3.331 4.639 1.00 0.00 C ATOM 1008 CD1 PHE A 66 -5.505 3.840 5.482 1.00 0.00 C ATOM 1009 CD2 PHE A 66 -3.903 4.189 3.751 1.00 0.00 C ATOM 1010 CE1 PHE A 66 -5.847 5.179 5.440 1.00 0.00 C ATOM 1011 CE2 PHE A 66 -4.240 5.529 3.705 1.00 0.00 C ATOM 1012 CZ PHE A 66 -5.214 6.024 4.550 1.00 0.00 C ATOM 0 H PHE A 66 -1.562 2.233 4.427 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.411 1.866 6.702 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.822 1.562 3.701 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.051 1.291 4.921 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.003 3.183 6.180 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.142 3.807 3.087 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.608 5.564 6.102 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.742 6.188 3.009 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.480 7.070 4.515 1.00 0.00 H new ATOM 1022 N LYS A 67 -3.697 -0.685 6.399 1.00 0.00 N ATOM 1023 CA LYS A 67 -3.564 -2.134 6.500 1.00 0.00 C ATOM 1024 C LYS A 67 -4.679 -2.838 5.734 1.00 0.00 C ATOM 1025 O LYS A 67 -5.858 -2.527 5.910 1.00 0.00 O ATOM 1026 CB LYS A 67 -3.588 -2.567 7.968 1.00 0.00 C ATOM 1027 CG LYS A 67 -3.607 -4.074 8.157 1.00 0.00 C ATOM 1028 CD LYS A 67 -3.618 -4.451 9.629 1.00 0.00 C ATOM 1029 CE LYS A 67 -3.059 -5.848 9.850 1.00 0.00 C ATOM 1030 NZ LYS A 67 -3.895 -6.890 9.193 1.00 0.00 N ATOM 0 H LYS A 67 -4.517 -0.303 6.871 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.609 -2.418 6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.714 -2.157 8.473 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.466 -2.138 8.451 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.486 -4.492 7.667 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.734 -4.513 7.674 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.030 -3.729 10.195 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.638 -4.401 10.011 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.043 -5.898 9.460 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.000 -6.051 10.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.481 -7.828 9.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.858 -6.859 9.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.931 -6.712 8.169 1.00 0.00 H new ATOM 1044 N ILE A 68 -4.299 -3.786 4.885 1.00 0.00 N ATOM 1045 CA ILE A 68 -5.268 -4.536 4.094 1.00 0.00 C ATOM 1046 C ILE A 68 -5.218 -6.023 4.429 1.00 0.00 C ATOM 1047 O ILE A 68 -4.247 -6.709 4.110 1.00 0.00 O ATOM 1048 CB ILE A 68 -5.024 -4.353 2.584 1.00 0.00 C ATOM 1049 CG1 ILE A 68 -5.071 -2.869 2.214 1.00 0.00 C ATOM 1050 CG2 ILE A 68 -6.052 -5.137 1.783 1.00 0.00 C ATOM 1051 CD1 ILE A 68 -4.649 -2.588 0.789 1.00 0.00 C ATOM 0 H ILE A 68 -3.328 -4.053 4.727 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.253 -4.142 4.345 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.033 -4.737 2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.085 -2.497 2.364 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.424 -2.313 2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.867 -4.998 0.718 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.975 -6.196 2.029 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.053 -4.780 2.027 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.707 -1.517 0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.625 -2.929 0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.311 -3.116 0.103 1.00 0.00 H new ATOM 1063 N CYS A 69 -6.272 -6.514 5.072 1.00 0.00 N ATOM 1064 CA CYS A 69 -6.350 -7.920 5.449 1.00 0.00 C ATOM 1065 C CYS A 69 -7.242 -8.694 4.484 1.00 0.00 C ATOM 1066 O CYS A 69 -8.336 -8.257 4.126 1.00 0.00 O ATOM 1067 CB CYS A 69 -6.881 -8.058 6.877 1.00 0.00 C ATOM 1068 SG CYS A 69 -6.795 -9.739 7.537 1.00 0.00 S ATOM 0 H CYS A 69 -7.084 -5.959 5.343 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.345 -8.340 5.401 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -6.315 -7.393 7.530 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.918 -7.722 6.902 1.00 0.00 H new ATOM 0 HG CYS A 69 -7.264 -9.754 8.749 1.00 0.00 H new ATOM 1074 N PRO A 70 -6.766 -9.870 4.051 1.00 0.00 N ATOM 1075 CA PRO A 70 -7.505 -10.729 3.121 1.00 0.00 C ATOM 1076 C PRO A 70 -8.739 -11.354 3.763 1.00 0.00 C ATOM 1077 O PRO A 70 -8.766 -11.602 4.969 1.00 0.00 O ATOM 1078 CB PRO A 70 -6.487 -11.812 2.753 1.00 0.00 C ATOM 1079 CG PRO A 70 -5.551 -11.860 3.910 1.00 0.00 C ATOM 1080 CD PRO A 70 -5.470 -10.454 4.437 1.00 0.00 C ATOM 0 HA PRO A 70 -7.883 -10.171 2.264 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.973 -12.775 2.596 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.963 -11.565 1.830 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.914 -12.544 4.677 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.569 -12.218 3.602 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.328 -10.437 5.518 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.636 -9.907 3.997 1.00 0.00 H new ATOM 1088 N THR A 71 -9.760 -11.606 2.951 1.00 0.00 N ATOM 1089 CA THR A 71 -10.997 -12.201 3.440 1.00 0.00 C ATOM 1090 C THR A 71 -11.304 -13.506 2.715 1.00 0.00 C ATOM 1091 O THR A 71 -10.993 -13.678 1.536 1.00 0.00 O ATOM 1092 CB THR A 71 -12.189 -11.240 3.270 1.00 0.00 C ATOM 1093 OG1 THR A 71 -12.516 -11.107 1.882 1.00 0.00 O ATOM 1094 CG2 THR A 71 -11.869 -9.873 3.854 1.00 0.00 C ATOM 0 H THR A 71 -9.755 -11.407 1.951 1.00 0.00 H new ATOM 0 HA THR A 71 -10.852 -12.404 4.501 1.00 0.00 H new ATOM 0 HB THR A 71 -13.042 -11.656 3.806 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.284 -11.678 1.671 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.725 -9.212 3.722 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.648 -9.974 4.917 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.003 -9.452 3.342 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.930 -14.450 3.434 1.00 0.00 N ATOM 1103 CA PRO A 72 -12.294 -15.757 2.878 1.00 0.00 C ATOM 1104 C PRO A 72 -13.415 -15.658 1.849 1.00 0.00 C ATOM 1105 O PRO A 72 -13.769 -16.645 1.206 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.761 -16.546 4.103 1.00 0.00 C ATOM 1107 CG PRO A 72 -13.216 -15.509 5.071 1.00 0.00 C ATOM 1108 CD PRO A 72 -12.332 -14.315 4.844 1.00 0.00 C ATOM 0 HA PRO A 72 -11.462 -16.220 2.348 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.569 -17.231 3.848 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.952 -17.148 4.518 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -14.264 -15.256 4.908 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.131 -15.868 6.097 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.865 -13.381 5.022 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.469 -14.322 5.510 1.00 0.00 H new ATOM 1116 N ASN A 73 -13.970 -14.459 1.699 1.00 0.00 N ATOM 1117 CA ASN A 73 -15.052 -14.231 0.748 1.00 0.00 C ATOM 1118 C ASN A 73 -14.507 -13.722 -0.583 1.00 0.00 C ATOM 1119 O ASN A 73 -15.207 -13.040 -1.331 1.00 0.00 O ATOM 1120 CB ASN A 73 -16.057 -13.228 1.318 1.00 0.00 C ATOM 1121 CG ASN A 73 -16.498 -13.587 2.724 1.00 0.00 C ATOM 1122 OD1 ASN A 73 -15.678 -13.685 3.637 1.00 0.00 O ATOM 1123 ND2 ASN A 73 -17.798 -13.784 2.904 1.00 0.00 N ATOM 0 H ASN A 73 -13.688 -13.631 2.224 1.00 0.00 H new ATOM 0 HA ASN A 73 -15.557 -15.181 0.574 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.611 -12.234 1.323 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.930 -13.182 0.667 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -18.154 -14.027 3.828 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -18.441 -13.692 2.118 1.00 0.00 H new ATOM 1130 N ASN A 74 -13.255 -14.059 -0.872 1.00 0.00 N ATOM 1131 CA ASN A 74 -12.616 -13.637 -2.113 1.00 0.00 C ATOM 1132 C ASN A 74 -12.643 -12.117 -2.249 1.00 0.00 C ATOM 1133 O ASN A 74 -12.906 -11.586 -3.327 1.00 0.00 O ATOM 1134 CB ASN A 74 -13.312 -14.280 -3.314 1.00 0.00 C ATOM 1135 CG ASN A 74 -12.427 -14.315 -4.545 1.00 0.00 C ATOM 1136 OD1 ASN A 74 -12.505 -13.437 -5.405 1.00 0.00 O ATOM 1137 ND2 ASN A 74 -11.580 -15.333 -4.635 1.00 0.00 N ATOM 0 H ASN A 74 -12.662 -14.623 -0.263 1.00 0.00 H new ATOM 0 HA ASN A 74 -11.576 -13.964 -2.087 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.611 -15.296 -3.056 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.224 -13.727 -3.541 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -10.959 -15.410 -5.441 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.550 -16.038 -3.898 1.00 0.00 H new ATOM 1144 N GLN A 75 -12.369 -11.425 -1.148 1.00 0.00 N ATOM 1145 CA GLN A 75 -12.362 -9.967 -1.144 1.00 0.00 C ATOM 1146 C GLN A 75 -11.172 -9.430 -0.355 1.00 0.00 C ATOM 1147 O GLN A 75 -10.325 -10.195 0.108 1.00 0.00 O ATOM 1148 CB GLN A 75 -13.666 -9.432 -0.551 1.00 0.00 C ATOM 1149 CG GLN A 75 -14.789 -9.304 -1.567 1.00 0.00 C ATOM 1150 CD GLN A 75 -16.029 -8.651 -0.988 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -16.475 -9.000 0.106 1.00 0.00 O ATOM 1152 NE2 GLN A 75 -16.593 -7.698 -1.720 1.00 0.00 N ATOM 0 H GLN A 75 -12.149 -11.850 -0.247 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.273 -9.626 -2.176 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.988 -10.094 0.253 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.479 -8.456 -0.104 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.439 -8.720 -2.418 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -15.047 -10.294 -1.944 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.190 -7.441 -2.621 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.430 -7.223 -1.382 1.00 0.00 H new ATOM 1161 N PHE A 76 -11.114 -8.111 -0.206 1.00 0.00 N ATOM 1162 CA PHE A 76 -10.027 -7.472 0.526 1.00 0.00 C ATOM 1163 C PHE A 76 -10.566 -6.421 1.492 1.00 0.00 C ATOM 1164 O PHE A 76 -11.371 -5.570 1.114 1.00 0.00 O ATOM 1165 CB PHE A 76 -9.038 -6.827 -0.448 1.00 0.00 C ATOM 1166 CG PHE A 76 -7.994 -7.777 -0.960 1.00 0.00 C ATOM 1167 CD1 PHE A 76 -8.248 -8.578 -2.062 1.00 0.00 C ATOM 1168 CD2 PHE A 76 -6.759 -7.870 -0.339 1.00 0.00 C ATOM 1169 CE1 PHE A 76 -7.289 -9.454 -2.534 1.00 0.00 C ATOM 1170 CE2 PHE A 76 -5.796 -8.744 -0.808 1.00 0.00 C ATOM 1171 CZ PHE A 76 -6.061 -9.536 -1.907 1.00 0.00 C ATOM 0 H PHE A 76 -11.807 -7.464 -0.582 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.510 -8.239 1.103 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.589 -6.416 -1.294 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.545 -5.991 0.048 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.206 -8.517 -2.557 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.546 -7.253 0.521 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.500 -10.074 -3.393 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.837 -8.807 -0.315 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.310 -10.218 -2.276 1.00 0.00 H new ATOM 1181 N MET A 77 -10.117 -6.488 2.741 1.00 0.00 N ATOM 1182 CA MET A 77 -10.553 -5.542 3.761 1.00 0.00 C ATOM 1183 C MET A 77 -9.575 -4.377 3.877 1.00 0.00 C ATOM 1184 O MET A 77 -8.409 -4.565 4.221 1.00 0.00 O ATOM 1185 CB MET A 77 -10.689 -6.244 5.113 1.00 0.00 C ATOM 1186 CG MET A 77 -12.065 -6.848 5.349 1.00 0.00 C ATOM 1187 SD MET A 77 -12.119 -7.901 6.811 1.00 0.00 S ATOM 1188 CE MET A 77 -11.709 -6.721 8.095 1.00 0.00 C ATOM 0 H MET A 77 -9.452 -7.187 3.071 1.00 0.00 H new ATOM 0 HA MET A 77 -11.525 -5.149 3.464 1.00 0.00 H new ATOM 0 HB2 MET A 77 -9.939 -7.032 5.181 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.474 -5.529 5.907 1.00 0.00 H new ATOM 0 HG2 MET A 77 -12.796 -6.047 5.456 1.00 0.00 H new ATOM 0 HG3 MET A 77 -12.357 -7.431 4.475 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.925 -7.156 9.071 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.650 -6.472 8.035 1.00 0.00 H new ATOM 0 HE3 MET A 77 -12.303 -5.817 7.961 1.00 0.00 H new ATOM 1198 N MET A 78 -10.058 -3.173 3.585 1.00 0.00 N ATOM 1199 CA MET A 78 -9.226 -1.978 3.658 1.00 0.00 C ATOM 1200 C MET A 78 -9.454 -1.236 4.971 1.00 0.00 C ATOM 1201 O MET A 78 -8.514 -0.983 5.723 1.00 0.00 O ATOM 1202 CB MET A 78 -9.522 -1.052 2.477 1.00 0.00 C ATOM 1203 CG MET A 78 -8.337 -0.193 2.066 1.00 0.00 C ATOM 1204 SD MET A 78 -7.850 0.977 3.348 1.00 0.00 S ATOM 1205 CE MET A 78 -7.315 2.367 2.353 1.00 0.00 C ATOM 0 H MET A 78 -11.021 -3.000 3.296 1.00 0.00 H new ATOM 0 HA MET A 78 -8.182 -2.289 3.614 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.837 -1.654 1.624 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.358 -0.403 2.736 1.00 0.00 H new ATOM 0 HG2 MET A 78 -7.491 -0.838 1.828 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.587 0.354 1.157 1.00 0.00 H new ATOM 0 HE1 MET A 78 -6.284 2.617 2.602 1.00 0.00 H new ATOM 0 HE2 MET A 78 -7.380 2.105 1.297 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.955 3.226 2.554 1.00 0.00 H new ATOM 1215 N GLY A 79 -10.709 -0.889 5.240 1.00 0.00 N ATOM 1216 CA GLY A 79 -11.037 -0.178 6.462 1.00 0.00 C ATOM 1217 C GLY A 79 -12.378 -0.594 7.032 1.00 0.00 C ATOM 1218 O GLY A 79 -13.251 0.244 7.258 1.00 0.00 O ATOM 0 H GLY A 79 -11.505 -1.088 4.633 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.259 -0.358 7.204 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.047 0.894 6.264 1.00 0.00 H new ATOM 1222 N GLY A 80 -12.545 -1.893 7.263 1.00 0.00 N ATOM 1223 CA GLY A 80 -13.794 -2.395 7.806 1.00 0.00 C ATOM 1224 C GLY A 80 -14.830 -2.656 6.731 1.00 0.00 C ATOM 1225 O GLY A 80 -16.028 -2.696 7.012 1.00 0.00 O ATOM 0 H GLY A 80 -11.838 -2.606 7.084 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.603 -3.318 8.354 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -14.191 -1.675 8.522 1.00 0.00 H new ATOM 1229 N ARG A 81 -14.370 -2.832 5.497 1.00 0.00 N ATOM 1230 CA ARG A 81 -15.266 -3.087 4.376 1.00 0.00 C ATOM 1231 C ARG A 81 -14.769 -4.263 3.540 1.00 0.00 C ATOM 1232 O ARG A 81 -13.687 -4.798 3.783 1.00 0.00 O ATOM 1233 CB ARG A 81 -15.388 -1.840 3.499 1.00 0.00 C ATOM 1234 CG ARG A 81 -16.184 -0.717 4.145 1.00 0.00 C ATOM 1235 CD ARG A 81 -15.282 0.230 4.922 1.00 0.00 C ATOM 1236 NE ARG A 81 -14.099 0.611 4.154 1.00 0.00 N ATOM 1237 CZ ARG A 81 -14.135 1.423 3.104 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -15.288 1.936 2.697 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -13.016 1.723 2.457 1.00 0.00 N ATOM 0 H ARG A 81 -13.381 -2.803 5.248 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.248 -3.338 4.778 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.389 -1.475 3.260 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.861 -2.114 2.556 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.721 -0.161 3.376 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.933 -1.139 4.815 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.843 1.125 5.192 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.973 -0.246 5.853 1.00 0.00 H new ATOM 0 HE ARG A 81 -13.196 0.233 4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -16.151 1.707 3.191 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -15.312 2.559 1.890 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -12.127 1.330 2.766 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -13.045 2.347 1.651 1.00 0.00 H new ATOM 1253 N TYR A 82 -15.567 -4.660 2.555 1.00 0.00 N ATOM 1254 CA TYR A 82 -15.211 -5.775 1.685 1.00 0.00 C ATOM 1255 C TYR A 82 -15.417 -5.408 0.218 1.00 0.00 C ATOM 1256 O TYR A 82 -16.532 -5.105 -0.207 1.00 0.00 O ATOM 1257 CB TYR A 82 -16.043 -7.009 2.035 1.00 0.00 C ATOM 1258 CG TYR A 82 -16.435 -7.081 3.494 1.00 0.00 C ATOM 1259 CD1 TYR A 82 -15.470 -7.166 4.490 1.00 0.00 C ATOM 1260 CD2 TYR A 82 -17.771 -7.064 3.876 1.00 0.00 C ATOM 1261 CE1 TYR A 82 -15.823 -7.232 5.824 1.00 0.00 C ATOM 1262 CE2 TYR A 82 -18.134 -7.129 5.207 1.00 0.00 C ATOM 1263 CZ TYR A 82 -17.157 -7.213 6.177 1.00 0.00 C ATOM 1264 OH TYR A 82 -17.514 -7.279 7.505 1.00 0.00 O ATOM 0 H TYR A 82 -16.465 -4.226 2.339 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.156 -6.001 1.840 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -16.946 -7.013 1.424 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -15.478 -7.904 1.775 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.425 -7.181 4.216 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -18.539 -6.999 3.119 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -15.060 -7.298 6.586 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -19.177 -7.114 5.487 1.00 0.00 H new ATOM 0 HH TYR A 82 -18.491 -7.254 7.583 1.00 0.00 H new ATOM 1274 N TYR A 83 -14.334 -5.439 -0.550 1.00 0.00 N ATOM 1275 CA TYR A 83 -14.394 -5.108 -1.969 1.00 0.00 C ATOM 1276 C TYR A 83 -13.949 -6.292 -2.823 1.00 0.00 C ATOM 1277 O TYR A 83 -12.970 -6.966 -2.507 1.00 0.00 O ATOM 1278 CB TYR A 83 -13.518 -3.891 -2.268 1.00 0.00 C ATOM 1279 CG TYR A 83 -13.971 -2.631 -1.565 1.00 0.00 C ATOM 1280 CD1 TYR A 83 -13.563 -2.352 -0.266 1.00 0.00 C ATOM 1281 CD2 TYR A 83 -14.808 -1.721 -2.198 1.00 0.00 C ATOM 1282 CE1 TYR A 83 -13.975 -1.203 0.380 1.00 0.00 C ATOM 1283 CE2 TYR A 83 -15.224 -0.569 -1.560 1.00 0.00 C ATOM 1284 CZ TYR A 83 -14.805 -0.314 -0.271 1.00 0.00 C ATOM 1285 OH TYR A 83 -15.218 0.832 0.369 1.00 0.00 O ATOM 0 H TYR A 83 -13.404 -5.690 -0.214 1.00 0.00 H new ATOM 0 HA TYR A 83 -15.429 -4.872 -2.218 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -12.492 -4.112 -1.975 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -13.511 -3.714 -3.344 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -12.913 -3.045 0.247 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -15.139 -1.918 -3.207 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -13.649 -1.001 1.390 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -15.874 0.128 -2.068 1.00 0.00 H new ATOM 0 HH TYR A 83 -16.191 0.918 0.290 1.00 0.00 H new ATOM 1295 N ASN A 84 -14.677 -6.537 -3.908 1.00 0.00 N ATOM 1296 CA ASN A 84 -14.358 -7.638 -4.809 1.00 0.00 C ATOM 1297 C ASN A 84 -12.849 -7.775 -4.989 1.00 0.00 C ATOM 1298 O ASN A 84 -12.274 -8.828 -4.716 1.00 0.00 O ATOM 1299 CB ASN A 84 -15.027 -7.423 -6.168 1.00 0.00 C ATOM 1300 CG ASN A 84 -14.741 -8.552 -7.139 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -13.583 -8.497 -7.786 1.00 0.00 O flip ATOM 1302 ND2 ASN A 84 -15.552 -9.463 -7.305 1.00 0.00 N flip ATOM 0 H ASN A 84 -15.491 -5.988 -4.184 1.00 0.00 H new ATOM 0 HA ASN A 84 -14.738 -8.558 -4.366 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -16.104 -7.331 -6.029 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.680 -6.483 -6.596 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -16.430 -9.465 -6.786 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -15.346 -10.216 -7.961 1.00 0.00 H new ATOM 1309 N SER A 85 -12.214 -6.702 -5.450 1.00 0.00 N ATOM 1310 CA SER A 85 -10.772 -6.702 -5.669 1.00 0.00 C ATOM 1311 C SER A 85 -10.187 -5.312 -5.439 1.00 0.00 C ATOM 1312 O SER A 85 -10.861 -4.302 -5.644 1.00 0.00 O ATOM 1313 CB SER A 85 -10.451 -7.174 -7.089 1.00 0.00 C ATOM 1314 OG SER A 85 -9.078 -7.498 -7.220 1.00 0.00 O ATOM 0 H SER A 85 -12.675 -5.822 -5.679 1.00 0.00 H new ATOM 0 HA SER A 85 -10.321 -7.390 -4.954 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.058 -8.046 -7.332 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.714 -6.394 -7.803 1.00 0.00 H new ATOM 0 HG SER A 85 -8.899 -7.798 -8.135 1.00 0.00 H new ATOM 1320 N ILE A 86 -8.930 -5.270 -5.012 1.00 0.00 N ATOM 1321 CA ILE A 86 -8.253 -4.005 -4.755 1.00 0.00 C ATOM 1322 C ILE A 86 -8.697 -2.933 -5.745 1.00 0.00 C ATOM 1323 O ILE A 86 -9.155 -1.861 -5.351 1.00 0.00 O ATOM 1324 CB ILE A 86 -6.723 -4.158 -4.833 1.00 0.00 C ATOM 1325 CG1 ILE A 86 -6.230 -5.129 -3.759 1.00 0.00 C ATOM 1326 CG2 ILE A 86 -6.046 -2.804 -4.682 1.00 0.00 C ATOM 1327 CD1 ILE A 86 -4.782 -5.534 -3.927 1.00 0.00 C ATOM 0 H ILE A 86 -8.360 -6.097 -4.837 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.528 -3.700 -3.745 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.463 -4.565 -5.810 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.359 -4.669 -2.779 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.853 -6.023 -3.776 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.965 -2.929 -4.739 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.377 -2.140 -5.481 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.310 -2.371 -3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.502 -6.223 -3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.651 -6.023 -4.892 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.149 -4.648 -3.880 1.00 0.00 H new ATOM 1339 N GLY A 87 -8.559 -3.231 -7.033 1.00 0.00 N ATOM 1340 CA GLY A 87 -8.952 -2.284 -8.060 1.00 0.00 C ATOM 1341 C GLY A 87 -10.203 -1.512 -7.690 1.00 0.00 C ATOM 1342 O GLY A 87 -10.201 -0.281 -7.680 1.00 0.00 O ATOM 0 H GLY A 87 -8.182 -4.111 -7.384 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.135 -1.584 -8.235 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.121 -2.817 -8.996 1.00 0.00 H new ATOM 1346 N ASP A 88 -11.274 -2.237 -7.385 1.00 0.00 N ATOM 1347 CA ASP A 88 -12.538 -1.613 -7.013 1.00 0.00 C ATOM 1348 C ASP A 88 -12.338 -0.616 -5.876 1.00 0.00 C ATOM 1349 O ASP A 88 -12.788 0.527 -5.953 1.00 0.00 O ATOM 1350 CB ASP A 88 -13.555 -2.678 -6.601 1.00 0.00 C ATOM 1351 CG ASP A 88 -14.242 -3.315 -7.793 1.00 0.00 C ATOM 1352 OD1 ASP A 88 -15.000 -2.607 -8.489 1.00 0.00 O ATOM 1353 OD2 ASP A 88 -14.023 -4.522 -8.030 1.00 0.00 O ATOM 0 H ASP A 88 -11.292 -3.257 -7.388 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.919 -1.075 -7.881 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.052 -3.451 -6.020 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.305 -2.228 -5.951 1.00 0.00 H new ATOM 1358 N ILE A 89 -11.662 -1.058 -4.821 1.00 0.00 N ATOM 1359 CA ILE A 89 -11.403 -0.204 -3.668 1.00 0.00 C ATOM 1360 C ILE A 89 -11.008 1.203 -4.103 1.00 0.00 C ATOM 1361 O ILE A 89 -11.426 2.191 -3.499 1.00 0.00 O ATOM 1362 CB ILE A 89 -10.290 -0.785 -2.776 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -10.685 -2.173 -2.268 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -10.003 0.150 -1.610 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.586 -2.870 -1.498 1.00 0.00 C ATOM 0 H ILE A 89 -11.284 -2.002 -4.741 1.00 0.00 H new ATOM 0 HA ILE A 89 -12.329 -0.158 -3.095 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.382 -0.882 -3.371 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -11.563 -2.081 -1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.972 -2.793 -3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -9.214 -0.274 -0.989 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.682 1.119 -1.991 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.907 0.276 -1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -9.937 -3.848 -1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.714 -2.994 -2.140 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.314 -2.271 -0.629 1.00 0.00 H new ATOM 1377 N ILE A 90 -10.202 1.286 -5.156 1.00 0.00 N ATOM 1378 CA ILE A 90 -9.753 2.572 -5.675 1.00 0.00 C ATOM 1379 C ILE A 90 -10.917 3.366 -6.258 1.00 0.00 C ATOM 1380 O ILE A 90 -11.272 4.430 -5.751 1.00 0.00 O ATOM 1381 CB ILE A 90 -8.672 2.396 -6.757 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -7.393 1.823 -6.143 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -8.388 3.725 -7.443 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -7.398 0.314 -6.036 1.00 0.00 C ATOM 0 H ILE A 90 -9.846 0.478 -5.667 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.327 3.120 -4.835 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.039 1.694 -7.506 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.539 2.134 -6.746 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.254 2.249 -5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.622 3.585 -8.205 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.301 4.096 -7.910 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.038 4.448 -6.706 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.461 -0.022 -5.592 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.231 -0.004 -5.409 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.506 -0.121 -7.030 1.00 0.00 H new ATOM 1396 N ASP A 91 -11.507 2.841 -7.326 1.00 0.00 N ATOM 1397 CA ASP A 91 -12.634 3.498 -7.978 1.00 0.00 C ATOM 1398 C ASP A 91 -13.656 3.972 -6.949 1.00 0.00 C ATOM 1399 O ASP A 91 -14.399 4.924 -7.190 1.00 0.00 O ATOM 1400 CB ASP A 91 -13.299 2.549 -8.976 1.00 0.00 C ATOM 1401 CG ASP A 91 -14.215 3.273 -9.942 1.00 0.00 C ATOM 1402 OD1 ASP A 91 -13.871 4.401 -10.353 1.00 0.00 O ATOM 1403 OD2 ASP A 91 -15.277 2.713 -10.287 1.00 0.00 O ATOM 0 H ASP A 91 -11.224 1.962 -7.759 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.254 4.368 -8.514 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.529 2.020 -9.538 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -13.871 1.797 -8.432 1.00 0.00 H new ATOM 1408 N HIS A 92 -13.688 3.302 -5.802 1.00 0.00 N ATOM 1409 CA HIS A 92 -14.620 3.654 -4.736 1.00 0.00 C ATOM 1410 C HIS A 92 -14.121 4.868 -3.959 1.00 0.00 C ATOM 1411 O HIS A 92 -14.836 5.860 -3.812 1.00 0.00 O ATOM 1412 CB HIS A 92 -14.813 2.471 -3.788 1.00 0.00 C ATOM 1413 CG HIS A 92 -15.664 2.791 -2.597 1.00 0.00 C ATOM 1414 ND1 HIS A 92 -15.196 3.488 -1.503 1.00 0.00 N ATOM 1415 CD2 HIS A 92 -16.960 2.506 -2.333 1.00 0.00 C ATOM 1416 CE1 HIS A 92 -16.167 3.617 -0.617 1.00 0.00 C ATOM 1417 NE2 HIS A 92 -17.249 3.030 -1.097 1.00 0.00 N ATOM 0 H HIS A 92 -13.080 2.512 -5.586 1.00 0.00 H new ATOM 0 HA HIS A 92 -15.578 3.904 -5.191 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -15.266 1.646 -4.337 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -13.837 2.127 -3.445 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -17.641 1.967 -2.975 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -16.090 4.117 0.337 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -18.152 2.975 -0.626 1.00 0.00 H new ATOM 1425 N TYR A 93 -12.892 4.783 -3.463 1.00 0.00 N ATOM 1426 CA TYR A 93 -12.300 5.874 -2.697 1.00 0.00 C ATOM 1427 C TYR A 93 -12.269 7.161 -3.516 1.00 0.00 C ATOM 1428 O TYR A 93 -12.301 8.261 -2.965 1.00 0.00 O ATOM 1429 CB TYR A 93 -10.883 5.504 -2.256 1.00 0.00 C ATOM 1430 CG TYR A 93 -10.832 4.771 -0.934 1.00 0.00 C ATOM 1431 CD1 TYR A 93 -11.573 5.211 0.156 1.00 0.00 C ATOM 1432 CD2 TYR A 93 -10.044 3.638 -0.775 1.00 0.00 C ATOM 1433 CE1 TYR A 93 -11.529 4.545 1.365 1.00 0.00 C ATOM 1434 CE2 TYR A 93 -9.995 2.965 0.430 1.00 0.00 C ATOM 1435 CZ TYR A 93 -10.739 3.423 1.497 1.00 0.00 C ATOM 1436 OH TYR A 93 -10.694 2.756 2.700 1.00 0.00 O ATOM 0 H TYR A 93 -12.286 3.970 -3.577 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.917 6.041 -1.814 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.423 4.883 -3.024 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.286 6.413 -2.181 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.194 6.089 0.056 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.459 3.277 -1.608 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.110 4.901 2.203 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.378 2.085 0.536 1.00 0.00 H new ATOM 0 HH TYR A 93 -9.947 2.121 2.694 1.00 0.00 H new ATOM 1446 N ARG A 94 -12.208 7.013 -4.836 1.00 0.00 N ATOM 1447 CA ARG A 94 -12.173 8.162 -5.732 1.00 0.00 C ATOM 1448 C ARG A 94 -13.437 9.005 -5.586 1.00 0.00 C ATOM 1449 O ARG A 94 -13.477 10.163 -6.002 1.00 0.00 O ATOM 1450 CB ARG A 94 -12.021 7.700 -7.182 1.00 0.00 C ATOM 1451 CG ARG A 94 -10.668 7.075 -7.483 1.00 0.00 C ATOM 1452 CD ARG A 94 -10.510 6.775 -8.965 1.00 0.00 C ATOM 1453 NE ARG A 94 -10.631 7.979 -9.783 1.00 0.00 N ATOM 1454 CZ ARG A 94 -11.792 8.468 -10.204 1.00 0.00 C ATOM 1455 NH1 ARG A 94 -12.926 7.859 -9.885 1.00 0.00 N ATOM 1456 NH2 ARG A 94 -11.820 9.568 -10.945 1.00 0.00 N ATOM 0 H ARG A 94 -12.182 6.109 -5.308 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.314 8.776 -5.461 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.804 6.977 -7.408 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.174 8.552 -7.844 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -9.875 7.749 -7.161 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.556 6.154 -6.910 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.538 6.314 -9.140 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -11.266 6.051 -9.271 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.777 8.471 -10.045 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.908 7.013 -9.315 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.816 8.236 -10.209 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.950 10.039 -11.192 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.712 9.943 -11.268 1.00 0.00 H new ATOM 1470 N LYS A 95 -14.470 8.415 -4.992 1.00 0.00 N ATOM 1471 CA LYS A 95 -15.736 9.110 -4.790 1.00 0.00 C ATOM 1472 C LYS A 95 -15.981 9.373 -3.308 1.00 0.00 C ATOM 1473 O LYS A 95 -16.872 10.139 -2.944 1.00 0.00 O ATOM 1474 CB LYS A 95 -16.890 8.289 -5.371 1.00 0.00 C ATOM 1475 CG LYS A 95 -16.924 8.279 -6.890 1.00 0.00 C ATOM 1476 CD LYS A 95 -17.937 7.277 -7.417 1.00 0.00 C ATOM 1477 CE LYS A 95 -17.841 7.131 -8.928 1.00 0.00 C ATOM 1478 NZ LYS A 95 -16.762 6.186 -9.327 1.00 0.00 N ATOM 0 H LYS A 95 -14.455 7.457 -4.642 1.00 0.00 H new ATOM 0 HA LYS A 95 -15.683 10.068 -5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -16.813 7.263 -5.011 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -17.833 8.688 -4.997 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -17.172 9.275 -7.256 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -15.934 8.035 -7.276 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -17.772 6.308 -6.945 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -18.943 7.597 -7.144 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -18.795 6.779 -9.320 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -17.653 8.107 -9.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -16.729 6.114 -10.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -15.848 6.535 -8.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -16.954 5.248 -8.921 1.00 0.00 H new ATOM 1492 N GLU A 96 -15.183 8.733 -2.458 1.00 0.00 N ATOM 1493 CA GLU A 96 -15.315 8.900 -1.015 1.00 0.00 C ATOM 1494 C GLU A 96 -13.965 9.220 -0.379 1.00 0.00 C ATOM 1495 O GLU A 96 -13.038 8.412 -0.428 1.00 0.00 O ATOM 1496 CB GLU A 96 -15.901 7.635 -0.385 1.00 0.00 C ATOM 1497 CG GLU A 96 -17.406 7.511 -0.554 1.00 0.00 C ATOM 1498 CD GLU A 96 -18.176 8.268 0.511 1.00 0.00 C ATOM 1499 OE1 GLU A 96 -17.995 9.499 0.613 1.00 0.00 O ATOM 1500 OE2 GLU A 96 -18.960 7.627 1.243 1.00 0.00 O ATOM 0 H GLU A 96 -14.440 8.095 -2.743 1.00 0.00 H new ATOM 0 HA GLU A 96 -15.991 9.735 -0.831 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.421 6.763 -0.829 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.661 7.624 0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -17.690 7.885 -1.538 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.686 6.458 -0.521 1.00 0.00 H new ATOM 1507 N GLN A 97 -13.864 10.404 0.217 1.00 0.00 N ATOM 1508 CA GLN A 97 -12.628 10.831 0.861 1.00 0.00 C ATOM 1509 C GLN A 97 -11.961 9.667 1.585 1.00 0.00 C ATOM 1510 O GLN A 97 -12.450 9.202 2.616 1.00 0.00 O ATOM 1511 CB GLN A 97 -12.908 11.967 1.846 1.00 0.00 C ATOM 1512 CG GLN A 97 -14.170 11.762 2.668 1.00 0.00 C ATOM 1513 CD GLN A 97 -14.836 13.069 3.052 1.00 0.00 C ATOM 1514 OE1 GLN A 97 -15.998 13.307 2.721 1.00 0.00 O ATOM 1515 NE2 GLN A 97 -14.102 13.924 3.753 1.00 0.00 N ATOM 0 H GLN A 97 -14.623 11.084 0.267 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.950 11.190 0.087 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -12.058 12.070 2.520 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.992 12.903 1.294 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.874 11.153 2.100 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -13.924 11.205 3.572 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.143 13.685 4.006 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -14.497 14.820 4.039 1.00 0.00 H new ATOM 1524 N ILE A 98 -10.843 9.200 1.040 1.00 0.00 N ATOM 1525 CA ILE A 98 -10.109 8.090 1.635 1.00 0.00 C ATOM 1526 C ILE A 98 -9.452 8.506 2.947 1.00 0.00 C ATOM 1527 O ILE A 98 -9.113 7.664 3.778 1.00 0.00 O ATOM 1528 CB ILE A 98 -9.026 7.554 0.679 1.00 0.00 C ATOM 1529 CG1 ILE A 98 -8.217 6.448 1.359 1.00 0.00 C ATOM 1530 CG2 ILE A 98 -8.113 8.684 0.226 1.00 0.00 C ATOM 1531 CD1 ILE A 98 -7.527 5.518 0.386 1.00 0.00 C ATOM 0 H ILE A 98 -10.426 9.573 0.187 1.00 0.00 H new ATOM 0 HA ILE A 98 -10.834 7.300 1.829 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.514 7.133 -0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.468 6.903 2.007 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -8.880 5.865 1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.353 8.290 -0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.701 9.441 -0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.630 9.132 1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.973 4.759 0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.272 5.035 -0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.838 6.089 -0.237 1.00 0.00 H new ATOM 1543 N VAL A 99 -9.276 9.811 3.127 1.00 0.00 N ATOM 1544 CA VAL A 99 -8.663 10.340 4.339 1.00 0.00 C ATOM 1545 C VAL A 99 -9.594 11.321 5.043 1.00 0.00 C ATOM 1546 O VAL A 99 -10.742 11.500 4.639 1.00 0.00 O ATOM 1547 CB VAL A 99 -7.329 11.046 4.031 1.00 0.00 C ATOM 1548 CG1 VAL A 99 -6.375 10.925 5.210 1.00 0.00 C ATOM 1549 CG2 VAL A 99 -6.703 10.475 2.767 1.00 0.00 C ATOM 0 H VAL A 99 -9.550 10.522 2.448 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.473 9.490 4.994 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.529 12.104 3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.438 11.430 4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.824 11.386 6.090 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.179 9.872 5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.761 10.985 2.565 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.516 9.410 2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.382 10.620 1.927 1.00 0.00 H new ATOM 1559 N GLU A 100 -9.090 11.954 6.098 1.00 0.00 N ATOM 1560 CA GLU A 100 -9.877 12.917 6.858 1.00 0.00 C ATOM 1561 C GLU A 100 -9.884 14.279 6.170 1.00 0.00 C ATOM 1562 O GLU A 100 -9.815 15.318 6.825 1.00 0.00 O ATOM 1563 CB GLU A 100 -9.324 13.054 8.278 1.00 0.00 C ATOM 1564 CG GLU A 100 -7.950 13.701 8.336 1.00 0.00 C ATOM 1565 CD GLU A 100 -7.121 13.206 9.506 1.00 0.00 C ATOM 1566 OE1 GLU A 100 -7.307 12.040 9.913 1.00 0.00 O ATOM 1567 OE2 GLU A 100 -6.287 13.984 10.014 1.00 0.00 O ATOM 0 H GLU A 100 -8.141 11.817 6.445 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.902 12.550 6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.020 13.644 8.875 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.271 12.066 8.735 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.418 13.498 7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.065 14.783 8.408 1.00 0.00 H new ATOM 1574 N GLY A 101 -9.968 14.264 4.843 1.00 0.00 N ATOM 1575 CA GLY A 101 -9.982 15.503 4.087 1.00 0.00 C ATOM 1576 C GLY A 101 -9.112 15.435 2.848 1.00 0.00 C ATOM 1577 O GLY A 101 -8.448 16.410 2.493 1.00 0.00 O ATOM 0 H GLY A 101 -10.027 13.417 4.278 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.006 15.736 3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.639 16.318 4.724 1.00 0.00 H new ATOM 1581 N TYR A 102 -9.113 14.282 2.188 1.00 0.00 N ATOM 1582 CA TYR A 102 -8.314 14.090 0.984 1.00 0.00 C ATOM 1583 C TYR A 102 -8.958 13.060 0.061 1.00 0.00 C ATOM 1584 O TYR A 102 -9.641 12.143 0.517 1.00 0.00 O ATOM 1585 CB TYR A 102 -6.897 13.647 1.352 1.00 0.00 C ATOM 1586 CG TYR A 102 -6.131 14.672 2.157 1.00 0.00 C ATOM 1587 CD1 TYR A 102 -6.470 14.943 3.476 1.00 0.00 C ATOM 1588 CD2 TYR A 102 -5.068 15.370 1.597 1.00 0.00 C ATOM 1589 CE1 TYR A 102 -5.773 15.880 4.215 1.00 0.00 C ATOM 1590 CE2 TYR A 102 -4.364 16.307 2.328 1.00 0.00 C ATOM 1591 CZ TYR A 102 -4.721 16.559 3.637 1.00 0.00 C ATOM 1592 OH TYR A 102 -4.024 17.492 4.370 1.00 0.00 O ATOM 0 H TYR A 102 -9.658 13.466 2.467 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.264 15.042 0.456 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -6.952 12.719 1.920 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.345 13.429 0.438 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -7.293 14.412 3.932 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -4.787 15.177 0.572 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -6.051 16.079 5.239 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.539 16.839 1.878 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.040 17.242 5.317 1.00 0.00 H new ATOM 1602 N TYR A 103 -8.735 13.218 -1.238 1.00 0.00 N ATOM 1603 CA TYR A 103 -9.294 12.304 -2.227 1.00 0.00 C ATOM 1604 C TYR A 103 -8.199 11.737 -3.126 1.00 0.00 C ATOM 1605 O TYR A 103 -7.135 12.337 -3.282 1.00 0.00 O ATOM 1606 CB TYR A 103 -10.347 13.019 -3.076 1.00 0.00 C ATOM 1607 CG TYR A 103 -11.746 12.923 -2.511 1.00 0.00 C ATOM 1608 CD1 TYR A 103 -12.129 13.689 -1.417 1.00 0.00 C ATOM 1609 CD2 TYR A 103 -12.686 12.067 -3.071 1.00 0.00 C ATOM 1610 CE1 TYR A 103 -13.406 13.605 -0.897 1.00 0.00 C ATOM 1611 CE2 TYR A 103 -13.966 11.977 -2.559 1.00 0.00 C ATOM 1612 CZ TYR A 103 -14.321 12.748 -1.472 1.00 0.00 C ATOM 1613 OH TYR A 103 -15.595 12.661 -0.958 1.00 0.00 O ATOM 0 H TYR A 103 -8.171 13.971 -1.632 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.766 11.478 -1.695 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -10.073 14.070 -3.170 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.340 12.596 -4.081 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -11.416 14.362 -0.965 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -12.411 11.461 -3.922 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -13.686 14.207 -0.045 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -14.684 11.307 -3.007 1.00 0.00 H new ATOM 0 HH TYR A 103 -16.114 12.013 -1.478 1.00 0.00 H new ATOM 1623 N LEU A 104 -8.468 10.577 -3.715 1.00 0.00 N ATOM 1624 CA LEU A 104 -7.508 9.927 -4.599 1.00 0.00 C ATOM 1625 C LEU A 104 -7.511 10.578 -5.979 1.00 0.00 C ATOM 1626 O LEU A 104 -8.404 10.335 -6.790 1.00 0.00 O ATOM 1627 CB LEU A 104 -7.828 8.437 -4.725 1.00 0.00 C ATOM 1628 CG LEU A 104 -7.781 7.628 -3.428 1.00 0.00 C ATOM 1629 CD1 LEU A 104 -8.240 6.199 -3.673 1.00 0.00 C ATOM 1630 CD2 LEU A 104 -6.378 7.646 -2.839 1.00 0.00 C ATOM 0 H LEU A 104 -9.344 10.067 -3.596 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.515 10.043 -4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.823 8.335 -5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.126 7.994 -5.432 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.461 8.088 -2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.200 5.639 -2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.263 6.205 -4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.587 5.728 -4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.363 7.065 -1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.678 7.211 -3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.086 8.674 -2.625 1.00 0.00 H new ATOM 1642 N LYS A 105 -6.504 11.405 -6.239 1.00 0.00 N ATOM 1643 CA LYS A 105 -6.387 12.089 -7.521 1.00 0.00 C ATOM 1644 C LYS A 105 -5.904 11.132 -8.607 1.00 0.00 C ATOM 1645 O LYS A 105 -6.671 10.738 -9.484 1.00 0.00 O ATOM 1646 CB LYS A 105 -5.425 13.274 -7.405 1.00 0.00 C ATOM 1647 CG LYS A 105 -6.026 14.479 -6.702 1.00 0.00 C ATOM 1648 CD LYS A 105 -6.921 15.279 -7.633 1.00 0.00 C ATOM 1649 CE LYS A 105 -7.083 16.713 -7.154 1.00 0.00 C ATOM 1650 NZ LYS A 105 -7.957 16.800 -5.951 1.00 0.00 N ATOM 0 H LYS A 105 -5.757 11.618 -5.578 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.375 12.457 -7.799 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.534 12.956 -6.864 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.104 13.569 -8.404 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.602 14.147 -5.838 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.227 15.118 -6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.498 15.275 -8.638 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.899 14.803 -7.697 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.104 17.132 -6.922 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.507 17.318 -7.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.043 17.793 -5.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.900 16.424 -6.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -7.540 16.243 -5.178 1.00 0.00 H new ATOM 1664 N GLU A 106 -4.629 10.763 -8.538 1.00 0.00 N ATOM 1665 CA GLU A 106 -4.045 9.852 -9.515 1.00 0.00 C ATOM 1666 C GLU A 106 -2.947 9.004 -8.880 1.00 0.00 C ATOM 1667 O GLU A 106 -2.127 9.488 -8.099 1.00 0.00 O ATOM 1668 CB GLU A 106 -3.478 10.635 -10.701 1.00 0.00 C ATOM 1669 CG GLU A 106 -4.498 11.533 -11.381 1.00 0.00 C ATOM 1670 CD GLU A 106 -4.112 11.881 -12.805 1.00 0.00 C ATOM 1671 OE1 GLU A 106 -3.010 12.435 -13.002 1.00 0.00 O ATOM 1672 OE2 GLU A 106 -4.911 11.599 -13.722 1.00 0.00 O ATOM 0 H GLU A 106 -3.981 11.080 -7.817 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.833 9.188 -9.871 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.642 11.244 -10.357 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.080 9.932 -11.433 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.469 11.037 -11.383 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -4.610 12.451 -10.804 1.00 0.00 H new ATOM 1679 N PRO A 107 -2.929 7.707 -9.222 1.00 0.00 N ATOM 1680 CA PRO A 107 -1.937 6.763 -8.697 1.00 0.00 C ATOM 1681 C PRO A 107 -0.539 7.028 -9.245 1.00 0.00 C ATOM 1682 O PRO A 107 -0.379 7.672 -10.281 1.00 0.00 O ATOM 1683 CB PRO A 107 -2.451 5.404 -9.178 1.00 0.00 C ATOM 1684 CG PRO A 107 -3.258 5.712 -10.392 1.00 0.00 C ATOM 1685 CD PRO A 107 -3.875 7.061 -10.148 1.00 0.00 C ATOM 0 HA PRO A 107 -1.837 6.837 -7.614 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -1.627 4.729 -9.411 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -3.056 4.916 -8.414 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -2.632 5.725 -11.284 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -4.026 4.955 -10.553 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -3.982 7.627 -11.073 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.870 6.975 -9.711 1.00 0.00 H new ATOM 1693 N VAL A 108 0.472 6.526 -8.542 1.00 0.00 N ATOM 1694 CA VAL A 108 1.857 6.707 -8.958 1.00 0.00 C ATOM 1695 C VAL A 108 2.177 5.860 -10.185 1.00 0.00 C ATOM 1696 O VAL A 108 1.812 4.688 -10.273 1.00 0.00 O ATOM 1697 CB VAL A 108 2.836 6.342 -7.827 1.00 0.00 C ATOM 1698 CG1 VAL A 108 4.275 6.478 -8.300 1.00 0.00 C ATOM 1699 CG2 VAL A 108 2.585 7.212 -6.604 1.00 0.00 C ATOM 0 H VAL A 108 0.357 5.991 -7.681 1.00 0.00 H new ATOM 0 HA VAL A 108 1.977 7.762 -9.206 1.00 0.00 H new ATOM 0 HB VAL A 108 2.668 5.302 -7.547 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.952 6.216 -7.487 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.445 5.809 -9.144 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.461 7.507 -8.609 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.286 6.941 -5.814 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.724 8.260 -6.868 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.565 7.059 -6.252 1.00 0.00 H new ATOM 1709 N PRO A 109 2.877 6.466 -11.156 1.00 0.00 N ATOM 1710 CA PRO A 109 3.263 5.786 -12.396 1.00 0.00 C ATOM 1711 C PRO A 109 4.324 4.716 -12.163 1.00 0.00 C ATOM 1712 O PRO A 109 5.098 4.792 -11.209 1.00 0.00 O ATOM 1713 CB PRO A 109 3.825 6.917 -13.261 1.00 0.00 C ATOM 1714 CG PRO A 109 4.288 7.944 -12.287 1.00 0.00 C ATOM 1715 CD PRO A 109 3.346 7.862 -11.118 1.00 0.00 C ATOM 0 HA PRO A 109 2.424 5.260 -12.851 1.00 0.00 H new ATOM 0 HB2 PRO A 109 4.646 6.566 -13.887 1.00 0.00 H new ATOM 0 HB3 PRO A 109 3.064 7.320 -13.929 1.00 0.00 H new ATOM 0 HG2 PRO A 109 5.314 7.751 -11.975 1.00 0.00 H new ATOM 0 HG3 PRO A 109 4.272 8.939 -12.732 1.00 0.00 H new ATOM 0 HD2 PRO A 109 3.850 8.091 -10.179 1.00 0.00 H new ATOM 0 HD3 PRO A 109 2.520 8.566 -11.217 1.00 0.00 H new ATOM 1723 N MET A 110 4.356 3.719 -13.042 1.00 0.00 N ATOM 1724 CA MET A 110 5.324 2.634 -12.933 1.00 0.00 C ATOM 1725 C MET A 110 6.470 2.827 -13.921 1.00 0.00 C ATOM 1726 O MET A 110 6.297 3.441 -14.973 1.00 0.00 O ATOM 1727 CB MET A 110 4.643 1.287 -13.181 1.00 0.00 C ATOM 1728 CG MET A 110 3.784 1.262 -14.434 1.00 0.00 C ATOM 1729 SD MET A 110 3.704 -0.374 -15.189 1.00 0.00 S ATOM 1730 CE MET A 110 4.259 -0.007 -16.852 1.00 0.00 C ATOM 0 H MET A 110 3.722 3.640 -13.838 1.00 0.00 H new ATOM 0 HA MET A 110 5.733 2.645 -11.923 1.00 0.00 H new ATOM 0 HB2 MET A 110 5.406 0.512 -13.258 1.00 0.00 H new ATOM 0 HB3 MET A 110 4.022 1.039 -12.320 1.00 0.00 H new ATOM 0 HG2 MET A 110 2.776 1.593 -14.185 1.00 0.00 H new ATOM 0 HG3 MET A 110 4.183 1.973 -15.158 1.00 0.00 H new ATOM 0 HE1 MET A 110 4.264 -0.922 -17.444 1.00 0.00 H new ATOM 0 HE2 MET A 110 3.585 0.717 -17.309 1.00 0.00 H new ATOM 0 HE3 MET A 110 5.266 0.407 -16.816 1.00 0.00 H new