USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 740 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 GLN : amide:sc= -1.07 X(o=-1.1,f=-0.85) USER MOD Set 1.2: A 103 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 83 TYR OH : rot -38:sc= 0.287 USER MOD Set 2.2: A 92 HIS :FLIP no HD1:sc= 0.136 F(o=-0.4,f=0.42) USER MOD Set 3.1: A 78 MET CE :methyl -131:sc= -2.67! (180deg=-6.75!) USER MOD Set 3.2: A 93 TYR OH : rot 100:sc= -0.112 USER MOD Set 4.1: A 60 ASN :FLIP amide:sc= 1.02 F(o=1,f=2.1) USER MOD Set 4.2: A 102 TYR OH : rot -155:sc= 1.11 USER MOD Set 5.1: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= 0.902 K(o=0.9,f=-2.9!) USER MOD Single : A 22 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0366) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.107 K(o=-0.11,f=-1.9!) USER MOD Single : A 30 ASN : amide:sc= -0.0513 K(o=-0.051,f=-0.85) USER MOD Single : A 33 MET CE :methyl -143:sc= -0.143 (180deg=-1.16) USER MOD Single : A 34 THR OG1 : rot -81:sc= 0.355 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 170:sc= 0 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 59 THR OG1 : rot -55:sc= 0.613 USER MOD Single : A 62 ASN : amide:sc= -2.51! C(o=-2.5!,f=-5.4!) USER MOD Single : A 64 GLN : amide:sc= -1.12 K(o=-1.1,f=-3.5!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -27:sc= -0.186 USER MOD Single : A 71 THR OG1 : rot -37:sc= -0.754! USER MOD Single : A 73 ASN : amide:sc=-0.00187 X(o=-0.0019,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.267 K(o=-0.27,f=-5.3!) USER MOD Single : A 77 MET CE :methyl 164:sc= -0.147 (180deg=-0.685) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0176 X(o=-0.018,f=-0.4) 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 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl 172:sc= -0.0125 (180deg=-0.0579) USER MOD ----------------------------------------------------------------- ATOM 185 N LYS A 16 -0.736 -2.783 -13.930 1.00 0.00 N ATOM 186 CA LYS A 16 -1.453 -1.661 -13.337 1.00 0.00 C ATOM 187 C LYS A 16 -0.489 -0.546 -12.943 1.00 0.00 C ATOM 188 O LYS A 16 0.567 -0.803 -12.364 1.00 0.00 O ATOM 189 CB LYS A 16 -2.242 -2.124 -12.111 1.00 0.00 C ATOM 190 CG LYS A 16 -3.249 -3.220 -12.414 1.00 0.00 C ATOM 191 CD LYS A 16 -4.430 -2.688 -13.209 1.00 0.00 C ATOM 192 CE LYS A 16 -5.293 -3.818 -13.747 1.00 0.00 C ATOM 193 NZ LYS A 16 -4.836 -4.276 -15.089 1.00 0.00 N ATOM 0 HA LYS A 16 -2.147 -1.271 -14.082 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.544 -2.483 -11.354 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.766 -1.269 -11.682 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.762 -4.018 -12.974 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.605 -3.657 -11.481 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.033 -2.038 -12.575 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.068 -2.079 -14.037 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.270 -4.656 -13.050 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.329 -3.485 -13.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.450 -5.047 -15.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.882 -3.483 -15.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.856 -4.618 -15.024 1.00 0.00 H new ATOM 207 N ILE A 17 -0.859 0.690 -13.259 1.00 0.00 N ATOM 208 CA ILE A 17 -0.028 1.843 -12.936 1.00 0.00 C ATOM 209 C ILE A 17 0.078 2.038 -11.427 1.00 0.00 C ATOM 210 O ILE A 17 1.149 2.346 -10.904 1.00 0.00 O ATOM 211 CB ILE A 17 -0.581 3.132 -13.571 1.00 0.00 C ATOM 212 CG1 ILE A 17 0.376 4.299 -13.325 1.00 0.00 C ATOM 213 CG2 ILE A 17 -1.962 3.446 -13.016 1.00 0.00 C ATOM 214 CD1 ILE A 17 0.343 5.349 -14.413 1.00 0.00 C ATOM 0 H ILE A 17 -1.730 0.919 -13.739 1.00 0.00 H new ATOM 0 HA ILE A 17 0.962 1.643 -13.345 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.669 2.980 -14.647 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.128 4.767 -12.372 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.391 3.913 -13.235 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.339 4.360 -13.475 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.640 2.622 -13.239 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.898 3.582 -11.936 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.047 6.146 -14.171 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.621 4.896 -15.365 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.662 5.763 -14.488 1.00 0.00 H new ATOM 226 N TRP A 18 -1.040 1.855 -10.733 1.00 0.00 N ATOM 227 CA TRP A 18 -1.073 2.009 -9.283 1.00 0.00 C ATOM 228 C TRP A 18 -0.329 0.868 -8.597 1.00 0.00 C ATOM 229 O TRP A 18 0.236 1.043 -7.518 1.00 0.00 O ATOM 230 CB TRP A 18 -2.519 2.062 -8.788 1.00 0.00 C ATOM 231 CG TRP A 18 -3.358 0.922 -9.281 1.00 0.00 C ATOM 232 CD1 TRP A 18 -4.271 0.956 -10.296 1.00 0.00 C ATOM 233 CD2 TRP A 18 -3.361 -0.419 -8.781 1.00 0.00 C ATOM 234 NE1 TRP A 18 -4.843 -0.283 -10.456 1.00 0.00 N ATOM 235 CE2 TRP A 18 -4.301 -1.145 -9.539 1.00 0.00 C ATOM 236 CE3 TRP A 18 -2.661 -1.078 -7.767 1.00 0.00 C ATOM 237 CZ2 TRP A 18 -4.557 -2.494 -9.313 1.00 0.00 C ATOM 238 CZ3 TRP A 18 -2.916 -2.418 -7.543 1.00 0.00 C ATOM 239 CH2 TRP A 18 -3.857 -3.115 -8.314 1.00 0.00 C ATOM 0 H TRP A 18 -1.935 1.600 -11.151 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.576 2.945 -9.031 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.523 2.061 -7.698 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -2.971 3.001 -9.108 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.509 1.829 -10.886 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.556 -0.522 -11.146 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.933 -0.550 -7.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.283 -3.032 -9.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.381 -2.937 -6.761 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.033 -4.162 -8.116 1.00 0.00 H new ATOM 250 N PHE A 19 -0.333 -0.300 -9.230 1.00 0.00 N ATOM 251 CA PHE A 19 0.342 -1.470 -8.680 1.00 0.00 C ATOM 252 C PHE A 19 1.857 -1.311 -8.757 1.00 0.00 C ATOM 253 O PHE A 19 2.416 -1.090 -9.832 1.00 0.00 O ATOM 254 CB PHE A 19 -0.089 -2.733 -9.430 1.00 0.00 C ATOM 255 CG PHE A 19 0.443 -4.000 -8.824 1.00 0.00 C ATOM 256 CD1 PHE A 19 0.286 -4.256 -7.471 1.00 0.00 C ATOM 257 CD2 PHE A 19 1.099 -4.936 -9.607 1.00 0.00 C ATOM 258 CE1 PHE A 19 0.775 -5.421 -6.911 1.00 0.00 C ATOM 259 CE2 PHE A 19 1.590 -6.103 -9.052 1.00 0.00 C ATOM 260 CZ PHE A 19 1.427 -6.346 -7.702 1.00 0.00 C ATOM 0 H PHE A 19 -0.796 -0.462 -10.124 1.00 0.00 H new ATOM 0 HA PHE A 19 0.058 -1.563 -7.632 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.178 -2.779 -9.452 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.248 -2.665 -10.464 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.224 -3.537 -6.847 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.228 -4.752 -10.663 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.647 -5.608 -5.855 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.101 -6.824 -9.673 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.809 -7.257 -7.266 1.00 0.00 H new ATOM 270 N HIS A 20 2.518 -1.424 -7.609 1.00 0.00 N ATOM 271 CA HIS A 20 3.969 -1.293 -7.546 1.00 0.00 C ATOM 272 C HIS A 20 4.587 -2.461 -6.784 1.00 0.00 C ATOM 273 O HIS A 20 4.902 -2.347 -5.600 1.00 0.00 O ATOM 274 CB HIS A 20 4.354 0.027 -6.878 1.00 0.00 C ATOM 275 CG HIS A 20 4.469 1.172 -7.836 1.00 0.00 C ATOM 276 ND1 HIS A 20 5.676 1.624 -8.327 1.00 0.00 N ATOM 277 CD2 HIS A 20 3.520 1.957 -8.396 1.00 0.00 C ATOM 278 CE1 HIS A 20 5.464 2.639 -9.146 1.00 0.00 C ATOM 279 NE2 HIS A 20 4.163 2.861 -9.206 1.00 0.00 N ATOM 0 H HIS A 20 2.072 -1.606 -6.710 1.00 0.00 H new ATOM 0 HA HIS A 20 4.355 -1.302 -8.565 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.610 0.272 -6.120 1.00 0.00 H new ATOM 0 HB3 HIS A 20 5.305 -0.101 -6.361 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.454 1.886 -8.236 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.225 3.193 -9.676 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.710 3.586 -9.763 1.00 0.00 H new ATOM 287 N GLY A 21 4.758 -3.586 -7.472 1.00 0.00 N ATOM 288 CA GLY A 21 5.337 -4.759 -6.844 1.00 0.00 C ATOM 289 C GLY A 21 6.823 -4.889 -7.117 1.00 0.00 C ATOM 290 O GLY A 21 7.529 -5.617 -6.418 1.00 0.00 O ATOM 0 H GLY A 21 4.506 -3.706 -8.453 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.171 -4.710 -5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.825 -5.651 -7.205 1.00 0.00 H new ATOM 294 N LYS A 22 7.299 -4.184 -8.136 1.00 0.00 N ATOM 295 CA LYS A 22 8.710 -4.223 -8.501 1.00 0.00 C ATOM 296 C LYS A 22 9.561 -3.500 -7.462 1.00 0.00 C ATOM 297 O LYS A 22 10.573 -4.028 -6.998 1.00 0.00 O ATOM 298 CB LYS A 22 8.920 -3.588 -9.878 1.00 0.00 C ATOM 299 CG LYS A 22 8.627 -4.530 -11.033 1.00 0.00 C ATOM 300 CD LYS A 22 8.768 -3.829 -12.374 1.00 0.00 C ATOM 301 CE LYS A 22 10.216 -3.804 -12.839 1.00 0.00 C ATOM 302 NZ LYS A 22 10.653 -5.128 -13.365 1.00 0.00 N ATOM 0 H LYS A 22 6.728 -3.578 -8.725 1.00 0.00 H new ATOM 0 HA LYS A 22 9.021 -5.267 -8.538 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.280 -2.710 -9.965 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.950 -3.241 -9.956 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.308 -5.380 -10.992 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.617 -4.926 -10.933 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.154 -4.337 -13.118 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.393 -2.809 -12.294 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.335 -3.048 -13.615 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.859 -3.513 -12.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.588 -5.033 -13.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.709 -5.811 -12.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.967 -5.465 -14.070 1.00 0.00 H new ATOM 316 N ILE A 23 9.145 -2.291 -7.099 1.00 0.00 N ATOM 317 CA ILE A 23 9.868 -1.499 -6.113 1.00 0.00 C ATOM 318 C ILE A 23 9.906 -2.204 -4.761 1.00 0.00 C ATOM 319 O ILE A 23 9.422 -3.327 -4.622 1.00 0.00 O ATOM 320 CB ILE A 23 9.233 -0.107 -5.935 1.00 0.00 C ATOM 321 CG1 ILE A 23 7.828 -0.234 -5.342 1.00 0.00 C ATOM 322 CG2 ILE A 23 9.188 0.629 -7.265 1.00 0.00 C ATOM 323 CD1 ILE A 23 7.207 1.093 -4.968 1.00 0.00 C ATOM 0 H ILE A 23 8.311 -1.839 -7.473 1.00 0.00 H new ATOM 0 HA ILE A 23 10.885 -1.381 -6.487 1.00 0.00 H new ATOM 0 HB ILE A 23 9.847 0.470 -5.244 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.183 -0.738 -6.062 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.872 -0.868 -4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.737 1.611 -7.122 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.201 0.748 -7.650 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.594 0.057 -7.978 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.212 0.926 -4.555 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.830 1.590 -4.224 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.130 1.722 -5.855 1.00 0.00 H new ATOM 335 N SER A 24 10.483 -1.537 -3.767 1.00 0.00 N ATOM 336 CA SER A 24 10.586 -2.101 -2.426 1.00 0.00 C ATOM 337 C SER A 24 9.986 -1.154 -1.391 1.00 0.00 C ATOM 338 O SER A 24 9.550 -0.051 -1.721 1.00 0.00 O ATOM 339 CB SER A 24 12.049 -2.389 -2.083 1.00 0.00 C ATOM 340 OG SER A 24 12.631 -3.268 -3.030 1.00 0.00 O ATOM 0 H SER A 24 10.886 -0.605 -3.865 1.00 0.00 H new ATOM 0 HA SER A 24 10.025 -3.035 -2.407 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.610 -1.455 -2.056 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.113 -2.828 -1.087 1.00 0.00 H new ATOM 0 HG SER A 24 13.566 -3.435 -2.790 1.00 0.00 H new ATOM 346 N LYS A 25 9.967 -1.593 -0.138 1.00 0.00 N ATOM 347 CA LYS A 25 9.422 -0.787 0.948 1.00 0.00 C ATOM 348 C LYS A 25 10.212 0.508 1.113 1.00 0.00 C ATOM 349 O LYS A 25 9.633 1.586 1.236 1.00 0.00 O ATOM 350 CB LYS A 25 9.440 -1.579 2.258 1.00 0.00 C ATOM 351 CG LYS A 25 9.019 -0.763 3.467 1.00 0.00 C ATOM 352 CD LYS A 25 8.423 -1.643 4.553 1.00 0.00 C ATOM 353 CE LYS A 25 8.541 -0.994 5.924 1.00 0.00 C ATOM 354 NZ LYS A 25 7.453 -0.007 6.166 1.00 0.00 N ATOM 0 H LYS A 25 10.323 -2.504 0.151 1.00 0.00 H new ATOM 0 HA LYS A 25 8.392 -0.534 0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.777 -2.439 2.162 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.445 -1.968 2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.881 -0.227 3.864 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.289 -0.012 3.164 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.374 -1.837 4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.931 -2.607 4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.510 -1.765 6.694 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.507 -0.497 6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.569 0.413 7.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.498 0.742 5.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.531 -0.486 6.111 1.00 0.00 H new ATOM 368 N GLN A 26 11.536 0.392 1.114 1.00 0.00 N ATOM 369 CA GLN A 26 12.404 1.554 1.264 1.00 0.00 C ATOM 370 C GLN A 26 12.235 2.514 0.091 1.00 0.00 C ATOM 371 O GLN A 26 11.931 3.691 0.279 1.00 0.00 O ATOM 372 CB GLN A 26 13.865 1.115 1.372 1.00 0.00 C ATOM 373 CG GLN A 26 14.813 2.243 1.748 1.00 0.00 C ATOM 374 CD GLN A 26 16.233 1.991 1.283 1.00 0.00 C ATOM 375 OE1 GLN A 26 16.523 0.968 0.662 1.00 0.00 O ATOM 376 NE2 GLN A 26 17.128 2.926 1.580 1.00 0.00 N ATOM 0 H GLN A 26 12.031 -0.494 1.013 1.00 0.00 H new ATOM 0 HA GLN A 26 12.119 2.073 2.179 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.943 0.322 2.116 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.179 0.690 0.419 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.453 3.175 1.314 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.807 2.372 2.830 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.844 3.758 2.097 1.00 0.00 H new ATOM 0 HE22 GLN A 26 18.100 2.812 1.292 1.00 0.00 H new ATOM 385 N GLU A 27 12.435 2.002 -1.120 1.00 0.00 N ATOM 386 CA GLU A 27 12.305 2.816 -2.323 1.00 0.00 C ATOM 387 C GLU A 27 10.959 3.535 -2.352 1.00 0.00 C ATOM 388 O GLU A 27 10.901 4.764 -2.387 1.00 0.00 O ATOM 389 CB GLU A 27 12.457 1.946 -3.573 1.00 0.00 C ATOM 390 CG GLU A 27 13.902 1.737 -3.996 1.00 0.00 C ATOM 391 CD GLU A 27 14.836 1.558 -2.816 1.00 0.00 C ATOM 392 OE1 GLU A 27 14.569 0.670 -1.979 1.00 0.00 O ATOM 393 OE2 GLU A 27 15.833 2.305 -2.728 1.00 0.00 O ATOM 0 H GLU A 27 12.687 1.029 -1.294 1.00 0.00 H new ATOM 0 HA GLU A 27 13.097 3.565 -2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.997 0.975 -3.388 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.909 2.407 -4.395 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.965 0.860 -4.640 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.230 2.591 -4.588 1.00 0.00 H new ATOM 400 N ALA A 28 9.880 2.759 -2.336 1.00 0.00 N ATOM 401 CA ALA A 28 8.536 3.321 -2.359 1.00 0.00 C ATOM 402 C ALA A 28 8.475 4.633 -1.584 1.00 0.00 C ATOM 403 O ALA A 28 8.037 5.656 -2.110 1.00 0.00 O ATOM 404 CB ALA A 28 7.537 2.324 -1.790 1.00 0.00 C ATOM 0 H ALA A 28 9.911 1.740 -2.307 1.00 0.00 H new ATOM 0 HA ALA A 28 8.275 3.530 -3.396 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.537 2.757 -1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.552 1.413 -2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.806 2.087 -0.761 1.00 0.00 H new ATOM 410 N TYR A 29 8.918 4.596 -0.332 1.00 0.00 N ATOM 411 CA TYR A 29 8.911 5.782 0.516 1.00 0.00 C ATOM 412 C TYR A 29 9.528 6.974 -0.209 1.00 0.00 C ATOM 413 O TYR A 29 8.941 8.053 -0.263 1.00 0.00 O ATOM 414 CB TYR A 29 9.673 5.510 1.815 1.00 0.00 C ATOM 415 CG TYR A 29 8.802 4.969 2.926 1.00 0.00 C ATOM 416 CD1 TYR A 29 7.593 5.575 3.246 1.00 0.00 C ATOM 417 CD2 TYR A 29 9.188 3.852 3.656 1.00 0.00 C ATOM 418 CE1 TYR A 29 6.794 5.085 4.260 1.00 0.00 C ATOM 419 CE2 TYR A 29 8.395 3.353 4.672 1.00 0.00 C ATOM 420 CZ TYR A 29 7.199 3.973 4.970 1.00 0.00 C ATOM 421 OH TYR A 29 6.407 3.481 5.982 1.00 0.00 O ATOM 0 H TYR A 29 9.286 3.758 0.118 1.00 0.00 H new ATOM 0 HA TYR A 29 7.875 6.022 0.754 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.474 4.799 1.614 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.143 6.434 2.151 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.273 6.445 2.692 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.124 3.365 3.426 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.858 5.569 4.496 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.710 2.483 5.229 1.00 0.00 H new ATOM 0 HH TYR A 29 6.836 2.695 6.380 1.00 0.00 H new ATOM 431 N ASN A 30 10.717 6.768 -0.766 1.00 0.00 N ATOM 432 CA ASN A 30 11.416 7.825 -1.488 1.00 0.00 C ATOM 433 C ASN A 30 10.647 8.226 -2.743 1.00 0.00 C ATOM 434 O ASN A 30 10.596 9.403 -3.105 1.00 0.00 O ATOM 435 CB ASN A 30 12.826 7.367 -1.866 1.00 0.00 C ATOM 436 CG ASN A 30 13.584 8.418 -2.653 1.00 0.00 C ATOM 437 OD1 ASN A 30 13.481 9.613 -2.374 1.00 0.00 O ATOM 438 ND2 ASN A 30 14.351 7.977 -3.643 1.00 0.00 N ATOM 0 H ASN A 30 11.216 5.879 -0.731 1.00 0.00 H new ATOM 0 HA ASN A 30 11.486 8.693 -0.833 1.00 0.00 H new ATOM 0 HB2 ASN A 30 13.381 7.125 -0.960 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.762 6.452 -2.455 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.885 8.638 -4.208 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.406 6.978 -3.839 1.00 0.00 H new ATOM 445 N LEU A 31 10.048 7.241 -3.403 1.00 0.00 N ATOM 446 CA LEU A 31 9.280 7.491 -4.618 1.00 0.00 C ATOM 447 C LEU A 31 8.164 8.498 -4.360 1.00 0.00 C ATOM 448 O LEU A 31 8.162 9.596 -4.919 1.00 0.00 O ATOM 449 CB LEU A 31 8.689 6.183 -5.149 1.00 0.00 C ATOM 450 CG LEU A 31 9.621 5.324 -6.005 1.00 0.00 C ATOM 451 CD1 LEU A 31 9.017 3.948 -6.234 1.00 0.00 C ATOM 452 CD2 LEU A 31 9.908 6.010 -7.333 1.00 0.00 C ATOM 0 H LEU A 31 10.079 6.262 -3.118 1.00 0.00 H new ATOM 0 HA LEU A 31 9.955 7.908 -5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.356 5.587 -4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.803 6.421 -5.738 1.00 0.00 H new ATOM 0 HG LEU A 31 10.563 5.201 -5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.694 3.351 -6.845 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.863 3.454 -5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.061 4.051 -6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.573 5.385 -7.929 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.973 6.164 -7.873 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.384 6.973 -7.150 1.00 0.00 H new ATOM 464 N LEU A 32 7.218 8.119 -3.508 1.00 0.00 N ATOM 465 CA LEU A 32 6.097 8.990 -3.172 1.00 0.00 C ATOM 466 C LEU A 32 6.585 10.383 -2.788 1.00 0.00 C ATOM 467 O LEU A 32 5.842 11.359 -2.879 1.00 0.00 O ATOM 468 CB LEU A 32 5.283 8.389 -2.026 1.00 0.00 C ATOM 469 CG LEU A 32 4.271 7.310 -2.414 1.00 0.00 C ATOM 470 CD1 LEU A 32 3.783 6.566 -1.181 1.00 0.00 C ATOM 471 CD2 LEU A 32 3.100 7.924 -3.168 1.00 0.00 C ATOM 0 H LEU A 32 7.205 7.214 -3.037 1.00 0.00 H new ATOM 0 HA LEU A 32 5.462 9.078 -4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.975 7.965 -1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.749 9.196 -1.524 1.00 0.00 H new ATOM 0 HG LEU A 32 4.766 6.595 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.064 5.803 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.629 6.093 -0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.306 7.268 -0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.390 7.142 -3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.606 8.661 -2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.464 8.409 -4.073 1.00 0.00 H new ATOM 483 N MET A 33 7.841 10.467 -2.361 1.00 0.00 N ATOM 484 CA MET A 33 8.430 11.741 -1.966 1.00 0.00 C ATOM 485 C MET A 33 9.052 12.447 -3.166 1.00 0.00 C ATOM 486 O MET A 33 9.139 13.675 -3.201 1.00 0.00 O ATOM 487 CB MET A 33 9.487 11.525 -0.882 1.00 0.00 C ATOM 488 CG MET A 33 8.906 11.110 0.460 1.00 0.00 C ATOM 489 SD MET A 33 7.598 12.217 1.022 1.00 0.00 S ATOM 490 CE MET A 33 8.478 13.776 1.086 1.00 0.00 C ATOM 0 H MET A 33 8.470 9.668 -2.280 1.00 0.00 H new ATOM 0 HA MET A 33 7.636 12.372 -1.567 1.00 0.00 H new ATOM 0 HB2 MET A 33 10.188 10.761 -1.217 1.00 0.00 H new ATOM 0 HB3 MET A 33 10.057 12.445 -0.753 1.00 0.00 H new ATOM 0 HG2 MET A 33 8.511 10.097 0.383 1.00 0.00 H new ATOM 0 HG3 MET A 33 9.702 11.086 1.205 1.00 0.00 H new ATOM 0 HE1 MET A 33 8.130 14.355 1.941 1.00 0.00 H new ATOM 0 HE2 MET A 33 9.547 13.587 1.187 1.00 0.00 H new ATOM 0 HE3 MET A 33 8.293 14.336 0.169 1.00 0.00 H new ATOM 500 N THR A 34 9.485 11.664 -4.149 1.00 0.00 N ATOM 501 CA THR A 34 10.101 12.214 -5.350 1.00 0.00 C ATOM 502 C THR A 34 9.154 12.129 -6.542 1.00 0.00 C ATOM 503 O THR A 34 8.578 13.133 -6.962 1.00 0.00 O ATOM 504 CB THR A 34 11.411 11.480 -5.696 1.00 0.00 C ATOM 505 OG1 THR A 34 11.143 10.099 -5.964 1.00 0.00 O ATOM 506 CG2 THR A 34 12.413 11.596 -4.558 1.00 0.00 C ATOM 0 H THR A 34 9.420 10.646 -4.137 1.00 0.00 H new ATOM 0 HA THR A 34 10.324 13.260 -5.140 1.00 0.00 H new ATOM 0 HB THR A 34 11.839 11.945 -6.584 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.069 9.610 -5.118 1.00 0.00 H new ATOM 0 HG21 THR A 34 13.330 11.070 -4.825 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.637 12.647 -4.376 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.991 11.154 -3.655 1.00 0.00 H new ATOM 514 N VAL A 35 8.997 10.925 -7.083 1.00 0.00 N ATOM 515 CA VAL A 35 8.118 10.710 -8.226 1.00 0.00 C ATOM 516 C VAL A 35 6.669 11.020 -7.870 1.00 0.00 C ATOM 517 O VAL A 35 5.925 11.572 -8.679 1.00 0.00 O ATOM 518 CB VAL A 35 8.211 9.260 -8.739 1.00 0.00 C ATOM 519 CG1 VAL A 35 9.646 8.914 -9.105 1.00 0.00 C ATOM 520 CG2 VAL A 35 7.668 8.291 -7.699 1.00 0.00 C ATOM 0 H VAL A 35 9.467 10.084 -6.748 1.00 0.00 H new ATOM 0 HA VAL A 35 8.448 11.388 -9.013 1.00 0.00 H new ATOM 0 HB VAL A 35 7.601 9.171 -9.638 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.692 7.886 -9.465 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.995 9.588 -9.887 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.281 9.019 -8.225 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.741 7.272 -8.078 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.249 8.379 -6.781 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.624 8.527 -7.492 1.00 0.00 H new ATOM 530 N GLY A 36 6.273 10.660 -6.652 1.00 0.00 N ATOM 531 CA GLY A 36 4.914 10.908 -6.210 1.00 0.00 C ATOM 532 C GLY A 36 4.770 12.237 -5.495 1.00 0.00 C ATOM 533 O GLY A 36 5.750 12.786 -4.991 1.00 0.00 O ATOM 0 H GLY A 36 6.870 10.201 -5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.246 10.888 -7.071 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.600 10.105 -5.544 1.00 0.00 H new ATOM 537 N GLN A 37 3.547 12.755 -5.451 1.00 0.00 N ATOM 538 CA GLN A 37 3.280 14.028 -4.794 1.00 0.00 C ATOM 539 C GLN A 37 1.899 14.028 -4.146 1.00 0.00 C ATOM 540 O GLN A 37 1.204 13.012 -4.142 1.00 0.00 O ATOM 541 CB GLN A 37 3.385 15.177 -5.799 1.00 0.00 C ATOM 542 CG GLN A 37 4.811 15.638 -6.049 1.00 0.00 C ATOM 543 CD GLN A 37 4.879 16.892 -6.899 1.00 0.00 C ATOM 544 OE1 GLN A 37 3.890 17.611 -7.045 1.00 0.00 O ATOM 545 NE2 GLN A 37 6.049 17.161 -7.465 1.00 0.00 N ATOM 0 H GLN A 37 2.725 12.312 -5.863 1.00 0.00 H new ATOM 0 HA GLN A 37 4.027 14.168 -4.013 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.942 14.863 -6.744 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.798 16.021 -5.436 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.301 15.824 -5.093 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.366 14.839 -6.541 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.843 16.537 -7.317 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.155 17.991 -8.048 1.00 0.00 H new ATOM 554 N VAL A 38 1.508 15.174 -3.598 1.00 0.00 N ATOM 555 CA VAL A 38 0.209 15.307 -2.948 1.00 0.00 C ATOM 556 C VAL A 38 -0.896 14.688 -3.796 1.00 0.00 C ATOM 557 O VAL A 38 -0.839 14.718 -5.026 1.00 0.00 O ATOM 558 CB VAL A 38 -0.134 16.783 -2.675 1.00 0.00 C ATOM 559 CG1 VAL A 38 -1.190 16.894 -1.586 1.00 0.00 C ATOM 560 CG2 VAL A 38 1.118 17.560 -2.296 1.00 0.00 C ATOM 0 H VAL A 38 2.072 16.024 -3.591 1.00 0.00 H new ATOM 0 HA VAL A 38 0.275 14.776 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.541 17.218 -3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.419 17.945 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.094 16.374 -1.902 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.814 16.443 -0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.857 18.601 -2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.557 17.127 -1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.839 17.509 -3.112 1.00 0.00 H new ATOM 570 N CYS A 39 -1.900 14.127 -3.132 1.00 0.00 N ATOM 571 CA CYS A 39 -3.020 13.500 -3.825 1.00 0.00 C ATOM 572 C CYS A 39 -2.550 12.302 -4.644 1.00 0.00 C ATOM 573 O CYS A 39 -3.141 11.969 -5.671 1.00 0.00 O ATOM 574 CB CYS A 39 -3.716 14.513 -4.735 1.00 0.00 C ATOM 575 SG CYS A 39 -4.384 15.950 -3.864 1.00 0.00 S ATOM 0 H CYS A 39 -1.962 14.093 -2.114 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.729 13.150 -3.075 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.007 14.856 -5.489 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.527 14.013 -5.264 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.951 16.750 -4.718 1.00 0.00 H new ATOM 581 N SER A 40 -1.483 11.659 -4.182 1.00 0.00 N ATOM 582 CA SER A 40 -0.930 10.500 -4.875 1.00 0.00 C ATOM 583 C SER A 40 -0.953 9.268 -3.976 1.00 0.00 C ATOM 584 O SER A 40 -0.756 9.365 -2.764 1.00 0.00 O ATOM 585 CB SER A 40 0.503 10.787 -5.329 1.00 0.00 C ATOM 586 OG SER A 40 0.964 9.789 -6.223 1.00 0.00 O ATOM 0 H SER A 40 -0.984 11.920 -3.332 1.00 0.00 H new ATOM 0 HA SER A 40 -1.548 10.301 -5.750 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.546 11.762 -5.814 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.160 10.834 -4.461 1.00 0.00 H new ATOM 0 HG SER A 40 1.812 10.074 -6.623 1.00 0.00 H new ATOM 592 N PHE A 41 -1.195 8.108 -4.578 1.00 0.00 N ATOM 593 CA PHE A 41 -1.245 6.856 -3.834 1.00 0.00 C ATOM 594 C PHE A 41 -0.693 5.704 -4.669 1.00 0.00 C ATOM 595 O PHE A 41 -0.447 5.853 -5.866 1.00 0.00 O ATOM 596 CB PHE A 41 -2.682 6.548 -3.408 1.00 0.00 C ATOM 597 CG PHE A 41 -3.462 5.782 -4.438 1.00 0.00 C ATOM 598 CD1 PHE A 41 -4.151 6.445 -5.440 1.00 0.00 C ATOM 599 CD2 PHE A 41 -3.505 4.397 -4.404 1.00 0.00 C ATOM 600 CE1 PHE A 41 -4.870 5.742 -6.388 1.00 0.00 C ATOM 601 CE2 PHE A 41 -4.222 3.688 -5.350 1.00 0.00 C ATOM 602 CZ PHE A 41 -4.904 4.362 -6.344 1.00 0.00 C ATOM 0 H PHE A 41 -1.360 8.010 -5.580 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.625 6.967 -2.944 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.663 5.977 -2.480 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.198 7.484 -3.195 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.126 7.524 -5.481 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.972 3.865 -3.629 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.405 6.271 -7.163 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.249 2.609 -5.312 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.463 3.811 -7.086 1.00 0.00 H new ATOM 612 N LEU A 42 -0.500 4.556 -4.028 1.00 0.00 N ATOM 613 CA LEU A 42 0.024 3.378 -4.710 1.00 0.00 C ATOM 614 C LEU A 42 -0.025 2.155 -3.800 1.00 0.00 C ATOM 615 O LEU A 42 0.211 2.255 -2.595 1.00 0.00 O ATOM 616 CB LEU A 42 1.460 3.628 -5.172 1.00 0.00 C ATOM 617 CG LEU A 42 2.515 3.710 -4.068 1.00 0.00 C ATOM 618 CD1 LEU A 42 2.900 2.318 -3.593 1.00 0.00 C ATOM 619 CD2 LEU A 42 3.741 4.467 -4.557 1.00 0.00 C ATOM 0 H LEU A 42 -0.699 4.416 -3.037 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.602 3.185 -5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.743 2.831 -5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.482 4.559 -5.738 1.00 0.00 H new ATOM 0 HG LEU A 42 2.089 4.254 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.652 2.397 -2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.018 1.810 -3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.306 1.748 -4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.481 4.516 -3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.168 3.951 -5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.453 5.478 -4.847 1.00 0.00 H new ATOM 631 N VAL A 43 -0.329 1.001 -4.383 1.00 0.00 N ATOM 632 CA VAL A 43 -0.405 -0.243 -3.625 1.00 0.00 C ATOM 633 C VAL A 43 0.911 -1.010 -3.697 1.00 0.00 C ATOM 634 O VAL A 43 1.720 -0.793 -4.598 1.00 0.00 O ATOM 635 CB VAL A 43 -1.542 -1.145 -4.140 1.00 0.00 C ATOM 636 CG1 VAL A 43 -1.532 -2.483 -3.415 1.00 0.00 C ATOM 637 CG2 VAL A 43 -2.886 -0.452 -3.978 1.00 0.00 C ATOM 0 H VAL A 43 -0.527 0.901 -5.379 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.608 0.028 -2.589 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.381 -1.333 -5.202 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.342 -3.107 -3.792 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.579 -2.983 -3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.668 -2.319 -2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.678 -1.104 -4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.058 -0.233 -2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.887 0.478 -4.547 1.00 0.00 H new ATOM 647 N ARG A 44 1.117 -1.910 -2.740 1.00 0.00 N ATOM 648 CA ARG A 44 2.335 -2.710 -2.694 1.00 0.00 C ATOM 649 C ARG A 44 2.069 -4.067 -2.048 1.00 0.00 C ATOM 650 O ARG A 44 1.518 -4.163 -0.952 1.00 0.00 O ATOM 651 CB ARG A 44 3.427 -1.971 -1.920 1.00 0.00 C ATOM 652 CG ARG A 44 3.744 -0.594 -2.480 1.00 0.00 C ATOM 653 CD ARG A 44 4.958 0.019 -1.798 1.00 0.00 C ATOM 654 NE ARG A 44 6.151 -0.806 -1.960 1.00 0.00 N ATOM 655 CZ ARG A 44 6.464 -1.813 -1.152 1.00 0.00 C ATOM 656 NH1 ARG A 44 5.674 -2.118 -0.132 1.00 0.00 N ATOM 657 NH2 ARG A 44 7.568 -2.518 -1.365 1.00 0.00 N ATOM 0 H ARG A 44 0.457 -2.103 -1.987 1.00 0.00 H new ATOM 0 HA ARG A 44 2.672 -2.873 -3.718 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.118 -1.869 -0.880 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.335 -2.574 -1.924 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.927 -0.669 -3.552 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.882 0.061 -2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.144 1.010 -2.211 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.750 0.150 -0.736 1.00 0.00 H new ATOM 0 HE ARG A 44 6.779 -0.598 -2.736 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.824 -1.579 0.034 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.916 -2.892 0.487 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.177 -2.287 -2.150 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.807 -3.291 -0.744 1.00 0.00 H new ATOM 671 N PRO A 45 2.469 -5.142 -2.744 1.00 0.00 N ATOM 672 CA PRO A 45 2.285 -6.513 -2.258 1.00 0.00 C ATOM 673 C PRO A 45 3.180 -6.830 -1.065 1.00 0.00 C ATOM 674 O PRO A 45 4.404 -6.864 -1.187 1.00 0.00 O ATOM 675 CB PRO A 45 2.676 -7.372 -3.464 1.00 0.00 C ATOM 676 CG PRO A 45 3.605 -6.516 -4.253 1.00 0.00 C ATOM 677 CD PRO A 45 3.132 -5.102 -4.058 1.00 0.00 C ATOM 0 HA PRO A 45 1.269 -6.688 -1.905 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.160 -8.297 -3.151 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.801 -7.652 -4.051 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.632 -6.635 -3.909 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.588 -6.791 -5.308 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.962 -4.396 -4.068 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.444 -4.796 -4.846 1.00 0.00 H new ATOM 685 N SER A 46 2.561 -7.063 0.088 1.00 0.00 N ATOM 686 CA SER A 46 3.302 -7.375 1.304 1.00 0.00 C ATOM 687 C SER A 46 4.508 -8.256 0.994 1.00 0.00 C ATOM 688 O SER A 46 4.415 -9.201 0.211 1.00 0.00 O ATOM 689 CB SER A 46 2.392 -8.073 2.317 1.00 0.00 C ATOM 690 OG SER A 46 3.034 -8.205 3.573 1.00 0.00 O ATOM 0 H SER A 46 1.548 -7.042 0.205 1.00 0.00 H new ATOM 0 HA SER A 46 3.659 -6.439 1.733 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.470 -7.504 2.435 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.113 -9.058 1.942 1.00 0.00 H new ATOM 0 HG SER A 46 2.431 -8.652 4.203 1.00 0.00 H new ATOM 757 N ASP A 52 -1.145 -10.381 1.557 1.00 0.00 N ATOM 758 CA ASP A 52 -1.491 -9.096 2.156 1.00 0.00 C ATOM 759 C ASP A 52 -0.943 -7.943 1.321 1.00 0.00 C ATOM 760 O ASP A 52 -0.040 -8.129 0.504 1.00 0.00 O ATOM 761 CB ASP A 52 -0.948 -9.012 3.583 1.00 0.00 C ATOM 762 CG ASP A 52 -1.602 -7.906 4.387 1.00 0.00 C ATOM 763 OD1 ASP A 52 -2.641 -8.171 5.027 1.00 0.00 O ATOM 764 OD2 ASP A 52 -1.075 -6.773 4.375 1.00 0.00 O ATOM 0 HA ASP A 52 -2.578 -9.016 2.184 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.107 -9.966 4.086 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.129 -8.845 3.550 1.00 0.00 H new ATOM 769 N TYR A 53 -1.494 -6.753 1.532 1.00 0.00 N ATOM 770 CA TYR A 53 -1.063 -5.570 0.797 1.00 0.00 C ATOM 771 C TYR A 53 -1.079 -4.336 1.693 1.00 0.00 C ATOM 772 O TYR A 53 -1.669 -4.347 2.774 1.00 0.00 O ATOM 773 CB TYR A 53 -1.963 -5.343 -0.419 1.00 0.00 C ATOM 774 CG TYR A 53 -2.012 -6.521 -1.365 1.00 0.00 C ATOM 775 CD1 TYR A 53 -2.657 -7.698 -1.007 1.00 0.00 C ATOM 776 CD2 TYR A 53 -1.413 -6.457 -2.617 1.00 0.00 C ATOM 777 CE1 TYR A 53 -2.704 -8.778 -1.868 1.00 0.00 C ATOM 778 CE2 TYR A 53 -1.455 -7.531 -3.485 1.00 0.00 C ATOM 779 CZ TYR A 53 -2.101 -8.689 -3.106 1.00 0.00 C ATOM 780 OH TYR A 53 -2.146 -9.762 -3.966 1.00 0.00 O ATOM 0 H TYR A 53 -2.240 -6.582 2.206 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.041 -5.737 0.458 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.974 -5.121 -0.076 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.611 -4.466 -0.962 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.130 -7.770 -0.039 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.906 -5.552 -2.917 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.209 -9.686 -1.574 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.985 -7.464 -4.455 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.675 -9.536 -4.796 1.00 0.00 H new ATOM 790 N SER A 54 -0.426 -3.272 1.236 1.00 0.00 N ATOM 791 CA SER A 54 -0.362 -2.029 1.997 1.00 0.00 C ATOM 792 C SER A 54 -0.485 -0.820 1.074 1.00 0.00 C ATOM 793 O SER A 54 0.196 -0.733 0.052 1.00 0.00 O ATOM 794 CB SER A 54 0.949 -1.954 2.782 1.00 0.00 C ATOM 795 OG SER A 54 1.118 -3.097 3.602 1.00 0.00 O ATOM 0 H SER A 54 0.066 -3.246 0.343 1.00 0.00 H new ATOM 0 HA SER A 54 -1.198 -2.017 2.697 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.787 -1.872 2.090 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.956 -1.055 3.399 1.00 0.00 H new ATOM 0 HG SER A 54 1.964 -3.026 4.092 1.00 0.00 H new ATOM 801 N LEU A 55 -1.359 0.110 1.442 1.00 0.00 N ATOM 802 CA LEU A 55 -1.573 1.315 0.649 1.00 0.00 C ATOM 803 C LEU A 55 -0.758 2.481 1.199 1.00 0.00 C ATOM 804 O LEU A 55 -0.617 2.635 2.413 1.00 0.00 O ATOM 805 CB LEU A 55 -3.059 1.680 0.630 1.00 0.00 C ATOM 806 CG LEU A 55 -3.489 2.689 -0.435 1.00 0.00 C ATOM 807 CD1 LEU A 55 -3.890 1.973 -1.716 1.00 0.00 C ATOM 808 CD2 LEU A 55 -4.633 3.551 0.077 1.00 0.00 C ATOM 0 H LEU A 55 -1.931 0.053 2.285 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.242 1.113 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.635 0.766 0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.327 2.078 1.609 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.642 3.339 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.193 2.706 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.043 1.400 -2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.722 1.299 -1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.926 4.263 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.483 2.916 0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.311 4.092 0.967 1.00 0.00 H new ATOM 820 N TYR A 56 -0.226 3.301 0.299 1.00 0.00 N ATOM 821 CA TYR A 56 0.575 4.453 0.695 1.00 0.00 C ATOM 822 C TYR A 56 0.044 5.731 0.052 1.00 0.00 C ATOM 823 O TYR A 56 0.020 5.861 -1.172 1.00 0.00 O ATOM 824 CB TYR A 56 2.038 4.242 0.303 1.00 0.00 C ATOM 825 CG TYR A 56 2.735 3.175 1.118 1.00 0.00 C ATOM 826 CD1 TYR A 56 3.212 3.448 2.394 1.00 0.00 C ATOM 827 CD2 TYR A 56 2.914 1.894 0.611 1.00 0.00 C ATOM 828 CE1 TYR A 56 3.849 2.476 3.140 1.00 0.00 C ATOM 829 CE2 TYR A 56 3.549 0.915 1.351 1.00 0.00 C ATOM 830 CZ TYR A 56 4.016 1.212 2.615 1.00 0.00 C ATOM 831 OH TYR A 56 4.649 0.241 3.357 1.00 0.00 O ATOM 0 H TYR A 56 -0.335 3.189 -0.709 1.00 0.00 H new ATOM 0 HA TYR A 56 0.507 4.556 1.778 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.088 3.972 -0.752 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.575 5.183 0.417 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.083 4.437 2.809 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.551 1.659 -0.379 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.215 2.705 4.130 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.679 -0.076 0.943 1.00 0.00 H new ATOM 0 HH TYR A 56 4.684 -0.593 2.843 1.00 0.00 H new ATOM 841 N PHE A 57 -0.379 6.674 0.888 1.00 0.00 N ATOM 842 CA PHE A 57 -0.909 7.943 0.403 1.00 0.00 C ATOM 843 C PHE A 57 -0.013 9.104 0.823 1.00 0.00 C ATOM 844 O PHE A 57 0.487 9.141 1.948 1.00 0.00 O ATOM 845 CB PHE A 57 -2.328 8.162 0.932 1.00 0.00 C ATOM 846 CG PHE A 57 -3.010 9.363 0.341 1.00 0.00 C ATOM 847 CD1 PHE A 57 -3.051 9.547 -1.031 1.00 0.00 C ATOM 848 CD2 PHE A 57 -3.608 10.309 1.158 1.00 0.00 C ATOM 849 CE1 PHE A 57 -3.678 10.651 -1.579 1.00 0.00 C ATOM 850 CE2 PHE A 57 -4.236 11.414 0.617 1.00 0.00 C ATOM 851 CZ PHE A 57 -4.270 11.586 -0.753 1.00 0.00 C ATOM 0 H PHE A 57 -0.365 6.583 1.904 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.936 7.904 -0.686 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.926 7.275 0.723 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.290 8.272 2.016 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.588 8.819 -1.681 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.583 10.181 2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.705 10.782 -2.651 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.700 12.143 1.265 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.759 12.450 -1.178 1.00 0.00 H new ATOM 861 N ARG A 58 0.188 10.050 -0.089 1.00 0.00 N ATOM 862 CA ARG A 58 1.025 11.211 0.186 1.00 0.00 C ATOM 863 C ARG A 58 0.172 12.453 0.421 1.00 0.00 C ATOM 864 O ARG A 58 -0.659 12.817 -0.412 1.00 0.00 O ATOM 865 CB ARG A 58 1.992 11.455 -0.975 1.00 0.00 C ATOM 866 CG ARG A 58 2.610 12.844 -0.971 1.00 0.00 C ATOM 867 CD ARG A 58 3.635 12.994 0.142 1.00 0.00 C ATOM 868 NE ARG A 58 4.248 14.320 0.146 1.00 0.00 N ATOM 869 CZ ARG A 58 5.119 14.724 1.064 1.00 0.00 C ATOM 870 NH1 ARG A 58 5.478 13.909 2.047 1.00 0.00 N ATOM 871 NH2 ARG A 58 5.633 15.945 1.000 1.00 0.00 N ATOM 0 H ARG A 58 -0.218 10.035 -1.025 1.00 0.00 H new ATOM 0 HA ARG A 58 1.598 11.009 1.091 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.789 10.712 -0.936 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.462 11.305 -1.916 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.085 13.035 -1.933 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.826 13.592 -0.849 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.155 12.814 1.104 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.410 12.237 0.026 1.00 0.00 H new ATOM 0 HE ARG A 58 3.993 14.971 -0.597 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.085 12.969 2.099 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.147 14.222 2.750 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.360 16.575 0.246 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.302 16.254 1.705 1.00 0.00 H new ATOM 885 N THR A 59 0.382 13.102 1.563 1.00 0.00 N ATOM 886 CA THR A 59 -0.368 14.303 1.909 1.00 0.00 C ATOM 887 C THR A 59 0.564 15.424 2.354 1.00 0.00 C ATOM 888 O THR A 59 1.698 15.177 2.761 1.00 0.00 O ATOM 889 CB THR A 59 -1.388 14.024 3.029 1.00 0.00 C ATOM 890 OG1 THR A 59 -0.716 13.532 4.193 1.00 0.00 O ATOM 891 CG2 THR A 59 -2.429 13.012 2.573 1.00 0.00 C ATOM 0 H THR A 59 1.066 12.815 2.264 1.00 0.00 H new ATOM 0 HA THR A 59 -0.901 14.613 1.010 1.00 0.00 H new ATOM 0 HB THR A 59 -1.894 14.959 3.270 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.182 12.746 3.955 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.138 12.831 3.380 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.960 13.402 1.704 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.936 12.077 2.307 1.00 0.00 H new ATOM 899 N ASN A 60 0.077 16.658 2.273 1.00 0.00 N ATOM 900 CA ASN A 60 0.867 17.819 2.668 1.00 0.00 C ATOM 901 C ASN A 60 1.392 17.661 4.093 1.00 0.00 C ATOM 902 O ASN A 60 2.436 18.209 4.444 1.00 0.00 O ATOM 903 CB ASN A 60 0.029 19.094 2.560 1.00 0.00 C ATOM 904 CG ASN A 60 -1.427 18.860 2.916 1.00 0.00 C ATOM 905 OD1 ASN A 60 -2.290 18.860 1.907 1.00 0.00 O flip ATOM 906 ND2 ASN A 60 -1.771 18.682 4.085 1.00 0.00 N flip ATOM 0 H ASN A 60 -0.860 16.880 1.938 1.00 0.00 H new ATOM 0 HA ASN A 60 1.719 17.894 1.992 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.444 19.855 3.220 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.094 19.483 1.544 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.073 18.690 4.829 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.754 18.526 4.309 1.00 0.00 H new ATOM 913 N GLU A 61 0.659 16.907 4.907 1.00 0.00 N ATOM 914 CA GLU A 61 1.051 16.677 6.292 1.00 0.00 C ATOM 915 C GLU A 61 2.151 15.623 6.379 1.00 0.00 C ATOM 916 O GLU A 61 3.272 15.914 6.794 1.00 0.00 O ATOM 917 CB GLU A 61 -0.158 16.238 7.121 1.00 0.00 C ATOM 918 CG GLU A 61 -0.072 16.641 8.584 1.00 0.00 C ATOM 919 CD GLU A 61 -1.430 16.686 9.257 1.00 0.00 C ATOM 920 OE1 GLU A 61 -2.356 17.298 8.686 1.00 0.00 O ATOM 921 OE2 GLU A 61 -1.565 16.108 10.356 1.00 0.00 O ATOM 0 H GLU A 61 -0.208 16.446 4.631 1.00 0.00 H new ATOM 0 HA GLU A 61 1.437 17.614 6.694 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.061 16.668 6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.258 15.155 7.057 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.569 15.936 9.114 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.400 17.621 8.660 1.00 0.00 H new ATOM 928 N ASN A 62 1.820 14.398 5.985 1.00 0.00 N ATOM 929 CA ASN A 62 2.779 13.299 6.020 1.00 0.00 C ATOM 930 C ASN A 62 2.221 12.068 5.313 1.00 0.00 C ATOM 931 O ASN A 62 1.006 11.890 5.221 1.00 0.00 O ATOM 932 CB ASN A 62 3.137 12.952 7.466 1.00 0.00 C ATOM 933 CG ASN A 62 1.977 12.326 8.215 1.00 0.00 C ATOM 934 OD1 ASN A 62 1.183 11.580 7.640 1.00 0.00 O ATOM 935 ND2 ASN A 62 1.874 12.626 9.504 1.00 0.00 N ATOM 0 H ASN A 62 0.896 14.141 5.638 1.00 0.00 H new ATOM 0 HA ASN A 62 3.680 13.620 5.497 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.983 12.265 7.473 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.456 13.856 7.985 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.114 12.234 10.060 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.555 13.249 9.939 1.00 0.00 H new ATOM 942 N ILE A 63 3.116 11.221 4.816 1.00 0.00 N ATOM 943 CA ILE A 63 2.713 10.006 4.120 1.00 0.00 C ATOM 944 C ILE A 63 1.900 9.093 5.031 1.00 0.00 C ATOM 945 O ILE A 63 2.363 8.695 6.100 1.00 0.00 O ATOM 946 CB ILE A 63 3.933 9.229 3.591 1.00 0.00 C ATOM 947 CG1 ILE A 63 4.726 10.090 2.605 1.00 0.00 C ATOM 948 CG2 ILE A 63 3.490 7.931 2.932 1.00 0.00 C ATOM 949 CD1 ILE A 63 6.045 9.476 2.192 1.00 0.00 C ATOM 0 H ILE A 63 4.125 11.354 4.883 1.00 0.00 H new ATOM 0 HA ILE A 63 2.096 10.317 3.277 1.00 0.00 H new ATOM 0 HB ILE A 63 4.581 8.984 4.432 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.120 10.261 1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.913 11.065 3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.364 7.393 2.563 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.965 7.314 3.661 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.824 8.155 2.099 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.553 10.141 1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.670 9.330 3.073 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.864 8.514 1.712 1.00 0.00 H new ATOM 961 N GLN A 64 0.686 8.765 4.601 1.00 0.00 N ATOM 962 CA GLN A 64 -0.191 7.898 5.379 1.00 0.00 C ATOM 963 C GLN A 64 0.306 6.457 5.353 1.00 0.00 C ATOM 964 O GLN A 64 1.381 6.170 4.826 1.00 0.00 O ATOM 965 CB GLN A 64 -1.621 7.967 4.838 1.00 0.00 C ATOM 966 CG GLN A 64 -2.252 9.345 4.959 1.00 0.00 C ATOM 967 CD GLN A 64 -2.375 9.806 6.398 1.00 0.00 C ATOM 968 OE1 GLN A 64 -2.010 9.084 7.327 1.00 0.00 O ATOM 969 NE2 GLN A 64 -2.890 11.014 6.591 1.00 0.00 N ATOM 0 H GLN A 64 0.288 9.086 3.719 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.183 8.247 6.412 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.619 7.668 3.790 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.238 7.246 5.373 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.653 10.065 4.401 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.241 9.329 4.501 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.179 11.579 5.792 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.996 11.378 7.538 1.00 0.00 H new ATOM 978 N ARG A 65 -0.483 5.554 5.926 1.00 0.00 N ATOM 979 CA ARG A 65 -0.122 4.142 5.971 1.00 0.00 C ATOM 980 C ARG A 65 -1.322 3.286 6.368 1.00 0.00 C ATOM 981 O ARG A 65 -1.824 3.383 7.488 1.00 0.00 O ATOM 982 CB ARG A 65 1.026 3.918 6.957 1.00 0.00 C ATOM 983 CG ARG A 65 1.539 2.488 6.979 1.00 0.00 C ATOM 984 CD ARG A 65 2.990 2.423 7.431 1.00 0.00 C ATOM 985 NE ARG A 65 3.130 2.688 8.861 1.00 0.00 N ATOM 986 CZ ARG A 65 2.959 1.763 9.799 1.00 0.00 C ATOM 987 NH1 ARG A 65 2.645 0.520 9.461 1.00 0.00 N ATOM 988 NH2 ARG A 65 3.104 2.081 11.079 1.00 0.00 N ATOM 0 H ARG A 65 -1.376 5.775 6.366 1.00 0.00 H new ATOM 0 HA ARG A 65 0.201 3.844 4.974 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.848 4.586 6.702 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.692 4.191 7.958 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.921 1.889 7.648 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.447 2.052 5.984 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.397 1.438 7.203 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.578 3.148 6.869 1.00 0.00 H new ATOM 0 HE ARG A 65 3.372 3.634 9.155 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.534 0.271 8.478 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.514 -0.188 10.184 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.347 3.036 11.343 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.973 1.371 11.799 1.00 0.00 H new ATOM 1002 N PHE A 66 -1.777 2.449 5.441 1.00 0.00 N ATOM 1003 CA PHE A 66 -2.918 1.577 5.693 1.00 0.00 C ATOM 1004 C PHE A 66 -2.530 0.111 5.527 1.00 0.00 C ATOM 1005 O PHE A 66 -1.417 -0.205 5.105 1.00 0.00 O ATOM 1006 CB PHE A 66 -4.069 1.922 4.746 1.00 0.00 C ATOM 1007 CG PHE A 66 -4.399 3.387 4.711 1.00 0.00 C ATOM 1008 CD1 PHE A 66 -5.151 3.966 5.721 1.00 0.00 C ATOM 1009 CD2 PHE A 66 -3.956 4.185 3.669 1.00 0.00 C ATOM 1010 CE1 PHE A 66 -5.455 5.314 5.692 1.00 0.00 C ATOM 1011 CE2 PHE A 66 -4.257 5.534 3.635 1.00 0.00 C ATOM 1012 CZ PHE A 66 -5.009 6.098 4.647 1.00 0.00 C ATOM 0 H PHE A 66 -1.373 2.356 4.509 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.243 1.734 6.722 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.812 1.592 3.740 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.956 1.365 5.048 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.504 3.357 6.540 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.369 3.749 2.874 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.041 5.753 6.486 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.904 6.146 2.818 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.248 7.151 4.621 1.00 0.00 H new ATOM 1022 N LYS A 67 -3.455 -0.782 5.863 1.00 0.00 N ATOM 1023 CA LYS A 67 -3.212 -2.215 5.752 1.00 0.00 C ATOM 1024 C LYS A 67 -4.390 -2.916 5.082 1.00 0.00 C ATOM 1025 O LYS A 67 -5.539 -2.501 5.235 1.00 0.00 O ATOM 1026 CB LYS A 67 -2.964 -2.821 7.135 1.00 0.00 C ATOM 1027 CG LYS A 67 -2.927 -4.339 7.137 1.00 0.00 C ATOM 1028 CD LYS A 67 -2.223 -4.878 8.371 1.00 0.00 C ATOM 1029 CE LYS A 67 -1.734 -6.302 8.156 1.00 0.00 C ATOM 1030 NZ LYS A 67 -0.544 -6.613 8.997 1.00 0.00 N ATOM 0 H LYS A 67 -4.381 -0.538 6.215 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.326 -2.361 5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.019 -2.443 7.524 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.746 -2.484 7.815 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.944 -4.729 7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.416 -4.693 6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.378 -4.236 8.619 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.905 -4.851 9.221 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.537 -7.001 8.390 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.483 -6.445 7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.241 -7.592 8.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.231 -5.963 8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.790 -6.501 10.001 1.00 0.00 H new ATOM 1044 N ILE A 68 -4.096 -3.980 4.342 1.00 0.00 N ATOM 1045 CA ILE A 68 -5.132 -4.739 3.652 1.00 0.00 C ATOM 1046 C ILE A 68 -4.958 -6.237 3.878 1.00 0.00 C ATOM 1047 O ILE A 68 -3.948 -6.821 3.484 1.00 0.00 O ATOM 1048 CB ILE A 68 -5.123 -4.455 2.138 1.00 0.00 C ATOM 1049 CG1 ILE A 68 -5.347 -2.964 1.875 1.00 0.00 C ATOM 1050 CG2 ILE A 68 -6.187 -5.287 1.437 1.00 0.00 C ATOM 1051 CD1 ILE A 68 -4.968 -2.534 0.475 1.00 0.00 C ATOM 0 H ILE A 68 -3.150 -4.336 4.205 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.088 -4.420 4.068 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.148 -4.733 1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.397 -2.727 2.048 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.767 -2.385 2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.168 -5.075 0.368 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.987 -6.346 1.601 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.168 -5.036 1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.153 -1.466 0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.911 -2.740 0.305 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.566 -3.086 -0.250 1.00 0.00 H new ATOM 1063 N CYS A 69 -5.950 -6.852 4.512 1.00 0.00 N ATOM 1064 CA CYS A 69 -5.907 -8.284 4.790 1.00 0.00 C ATOM 1065 C CYS A 69 -6.894 -9.038 3.905 1.00 0.00 C ATOM 1066 O CYS A 69 -8.008 -8.584 3.647 1.00 0.00 O ATOM 1067 CB CYS A 69 -6.221 -8.548 6.263 1.00 0.00 C ATOM 1068 SG CYS A 69 -4.989 -7.887 7.410 1.00 0.00 S ATOM 0 H CYS A 69 -6.793 -6.383 4.843 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.901 -8.642 4.570 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -7.192 -8.114 6.500 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -6.306 -9.624 6.418 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.832 -7.832 6.820 1.00 0.00 H new ATOM 1074 N PRO A 70 -6.475 -10.219 3.426 1.00 0.00 N ATOM 1075 CA PRO A 70 -7.306 -11.062 2.560 1.00 0.00 C ATOM 1076 C PRO A 70 -8.487 -11.673 3.307 1.00 0.00 C ATOM 1077 O PRO A 70 -8.486 -11.750 4.536 1.00 0.00 O ATOM 1078 CB PRO A 70 -6.341 -12.157 2.099 1.00 0.00 C ATOM 1079 CG PRO A 70 -5.306 -12.225 3.169 1.00 0.00 C ATOM 1080 CD PRO A 70 -5.159 -10.823 3.692 1.00 0.00 C ATOM 0 HA PRO A 70 -7.750 -10.494 1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.853 -13.112 1.982 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.897 -11.913 1.134 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.609 -12.908 3.963 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.360 -12.595 2.774 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.921 -10.814 4.756 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.360 -10.286 3.182 1.00 0.00 H new ATOM 1088 N THR A 71 -9.495 -12.107 2.557 1.00 0.00 N ATOM 1089 CA THR A 71 -10.683 -12.710 3.148 1.00 0.00 C ATOM 1090 C THR A 71 -11.001 -14.051 2.497 1.00 0.00 C ATOM 1091 O THR A 71 -10.711 -14.282 1.323 1.00 0.00 O ATOM 1092 CB THR A 71 -11.908 -11.785 3.016 1.00 0.00 C ATOM 1093 OG1 THR A 71 -12.212 -11.570 1.633 1.00 0.00 O ATOM 1094 CG2 THR A 71 -11.654 -10.450 3.699 1.00 0.00 C ATOM 0 H THR A 71 -9.512 -12.052 1.539 1.00 0.00 H new ATOM 0 HA THR A 71 -10.466 -12.865 4.205 1.00 0.00 H new ATOM 0 HB THR A 71 -12.755 -12.268 3.503 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.379 -11.514 1.120 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.533 -9.814 3.593 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.452 -10.615 4.757 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.795 -9.963 3.237 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.610 -14.958 3.275 1.00 0.00 N ATOM 1103 CA PRO A 72 -11.982 -16.292 2.794 1.00 0.00 C ATOM 1104 C PRO A 72 -13.123 -16.247 1.783 1.00 0.00 C ATOM 1105 O PRO A 72 -13.568 -17.282 1.289 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.423 -17.018 4.067 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.862 -15.933 4.989 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.985 -14.750 4.684 1.00 0.00 C ATOM 0 HA PRO A 72 -11.160 -16.781 2.272 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.234 -17.717 3.863 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.605 -17.596 4.497 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.913 -15.690 4.833 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.756 -16.239 6.030 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.517 -13.809 4.824 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.110 -14.721 5.333 1.00 0.00 H new ATOM 1116 N ASN A 73 -13.591 -15.041 1.480 1.00 0.00 N ATOM 1117 CA ASN A 73 -14.681 -14.861 0.528 1.00 0.00 C ATOM 1118 C ASN A 73 -14.193 -14.148 -0.730 1.00 0.00 C ATOM 1119 O ASN A 73 -14.835 -13.219 -1.217 1.00 0.00 O ATOM 1120 CB ASN A 73 -15.821 -14.066 1.169 1.00 0.00 C ATOM 1121 CG ASN A 73 -16.288 -14.676 2.476 1.00 0.00 C ATOM 1122 OD1 ASN A 73 -16.301 -14.013 3.514 1.00 0.00 O ATOM 1123 ND2 ASN A 73 -16.674 -15.946 2.432 1.00 0.00 N ATOM 0 H ASN A 73 -13.233 -14.174 1.880 1.00 0.00 H new ATOM 0 HA ASN A 73 -15.049 -15.847 0.245 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.491 -13.042 1.346 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.660 -14.015 0.475 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -16.998 -16.410 3.281 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -16.647 -16.457 1.550 1.00 0.00 H new ATOM 1130 N ASN A 74 -13.054 -14.592 -1.250 1.00 0.00 N ATOM 1131 CA ASN A 74 -12.479 -13.997 -2.451 1.00 0.00 C ATOM 1132 C ASN A 74 -12.654 -12.481 -2.444 1.00 0.00 C ATOM 1133 O ASN A 74 -13.096 -11.894 -3.431 1.00 0.00 O ATOM 1134 CB ASN A 74 -13.130 -14.591 -3.702 1.00 0.00 C ATOM 1135 CG ASN A 74 -12.456 -15.873 -4.151 1.00 0.00 C ATOM 1136 OD1 ASN A 74 -12.496 -16.886 -3.454 1.00 0.00 O ATOM 1137 ND2 ASN A 74 -11.831 -15.833 -5.322 1.00 0.00 N ATOM 0 H ASN A 74 -12.511 -15.362 -0.859 1.00 0.00 H new ATOM 0 HA ASN A 74 -11.413 -14.222 -2.463 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.183 -14.788 -3.501 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.091 -13.861 -4.510 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.359 -16.665 -5.677 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.823 -14.971 -5.867 1.00 0.00 H new ATOM 1144 N GLN A 75 -12.303 -11.856 -1.325 1.00 0.00 N ATOM 1145 CA GLN A 75 -12.422 -10.409 -1.190 1.00 0.00 C ATOM 1146 C GLN A 75 -11.231 -9.833 -0.430 1.00 0.00 C ATOM 1147 O GLN A 75 -10.338 -10.568 -0.008 1.00 0.00 O ATOM 1148 CB GLN A 75 -13.723 -10.047 -0.472 1.00 0.00 C ATOM 1149 CG GLN A 75 -14.915 -9.908 -1.406 1.00 0.00 C ATOM 1150 CD GLN A 75 -16.029 -9.070 -0.810 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -16.111 -7.865 -1.050 1.00 0.00 O ATOM 1152 NE2 GLN A 75 -16.894 -9.705 -0.027 1.00 0.00 N ATOM 0 H GLN A 75 -11.934 -12.328 -0.500 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.435 -9.977 -2.190 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.943 -10.812 0.272 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.583 -9.110 0.066 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.587 -9.457 -2.342 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -15.300 -10.899 -1.647 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.788 -10.705 0.145 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.664 -9.193 0.403 1.00 0.00 H new ATOM 1161 N PHE A 76 -11.225 -8.515 -0.260 1.00 0.00 N ATOM 1162 CA PHE A 76 -10.143 -7.841 0.448 1.00 0.00 C ATOM 1163 C PHE A 76 -10.695 -6.900 1.515 1.00 0.00 C ATOM 1164 O PHE A 76 -11.689 -6.209 1.294 1.00 0.00 O ATOM 1165 CB PHE A 76 -9.271 -7.059 -0.536 1.00 0.00 C ATOM 1166 CG PHE A 76 -8.610 -7.925 -1.570 1.00 0.00 C ATOM 1167 CD1 PHE A 76 -9.321 -8.380 -2.669 1.00 0.00 C ATOM 1168 CD2 PHE A 76 -7.278 -8.284 -1.443 1.00 0.00 C ATOM 1169 CE1 PHE A 76 -8.715 -9.177 -3.622 1.00 0.00 C ATOM 1170 CE2 PHE A 76 -6.667 -9.082 -2.393 1.00 0.00 C ATOM 1171 CZ PHE A 76 -7.386 -9.528 -3.484 1.00 0.00 C ATOM 0 H PHE A 76 -11.957 -7.893 -0.603 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.534 -8.601 0.938 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.885 -6.311 -1.038 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.504 -6.520 0.020 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.360 -8.109 -2.782 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.710 -7.937 -0.592 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -9.280 -9.525 -4.474 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.628 -9.356 -2.282 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.910 -10.150 -4.228 1.00 0.00 H new ATOM 1181 N MET A 77 -10.042 -6.880 2.673 1.00 0.00 N ATOM 1182 CA MET A 77 -10.467 -6.024 3.774 1.00 0.00 C ATOM 1183 C MET A 77 -9.448 -4.917 4.026 1.00 0.00 C ATOM 1184 O MET A 77 -8.287 -5.188 4.333 1.00 0.00 O ATOM 1185 CB MET A 77 -10.663 -6.851 5.046 1.00 0.00 C ATOM 1186 CG MET A 77 -12.068 -7.411 5.196 1.00 0.00 C ATOM 1187 SD MET A 77 -12.193 -8.631 6.518 1.00 0.00 S ATOM 1188 CE MET A 77 -11.294 -7.803 7.828 1.00 0.00 C ATOM 0 H MET A 77 -9.217 -7.446 2.873 1.00 0.00 H new ATOM 0 HA MET A 77 -11.416 -5.565 3.498 1.00 0.00 H new ATOM 0 HB2 MET A 77 -9.950 -7.675 5.047 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.434 -6.230 5.912 1.00 0.00 H new ATOM 0 HG2 MET A 77 -12.761 -6.594 5.395 1.00 0.00 H new ATOM 0 HG3 MET A 77 -12.375 -7.868 4.255 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.517 -8.282 8.781 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.224 -7.866 7.631 1.00 0.00 H new ATOM 0 HE3 MET A 77 -11.594 -6.756 7.870 1.00 0.00 H new ATOM 1198 N MET A 78 -9.890 -3.670 3.894 1.00 0.00 N ATOM 1199 CA MET A 78 -9.015 -2.523 4.109 1.00 0.00 C ATOM 1200 C MET A 78 -9.517 -1.666 5.266 1.00 0.00 C ATOM 1201 O MET A 78 -10.236 -0.689 5.061 1.00 0.00 O ATOM 1202 CB MET A 78 -8.924 -1.679 2.836 1.00 0.00 C ATOM 1203 CG MET A 78 -8.175 -0.371 3.027 1.00 0.00 C ATOM 1204 SD MET A 78 -7.351 0.185 1.522 1.00 0.00 S ATOM 1205 CE MET A 78 -6.795 1.812 2.021 1.00 0.00 C ATOM 0 H MET A 78 -10.848 -3.428 3.639 1.00 0.00 H new ATOM 0 HA MET A 78 -8.022 -2.897 4.361 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.430 -2.261 2.058 1.00 0.00 H new ATOM 0 HB3 MET A 78 -9.931 -1.463 2.480 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.873 0.397 3.359 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.435 -0.493 3.818 1.00 0.00 H new ATOM 0 HE1 MET A 78 -7.076 2.541 1.261 1.00 0.00 H new ATOM 0 HE2 MET A 78 -7.259 2.080 2.970 1.00 0.00 H new ATOM 0 HE3 MET A 78 -5.711 1.807 2.136 1.00 0.00 H new ATOM 1215 N GLY A 79 -9.134 -2.039 6.484 1.00 0.00 N ATOM 1216 CA GLY A 79 -9.556 -1.294 7.655 1.00 0.00 C ATOM 1217 C GLY A 79 -10.769 -1.906 8.327 1.00 0.00 C ATOM 1218 O GLY A 79 -10.687 -2.383 9.458 1.00 0.00 O ATOM 0 H GLY A 79 -8.539 -2.844 6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.733 -1.249 8.369 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.784 -0.268 7.366 1.00 0.00 H new ATOM 1222 N GLY A 80 -11.900 -1.891 7.628 1.00 0.00 N ATOM 1223 CA GLY A 80 -13.120 -2.451 8.180 1.00 0.00 C ATOM 1224 C GLY A 80 -14.228 -2.555 7.151 1.00 0.00 C ATOM 1225 O GLY A 80 -15.403 -2.380 7.474 1.00 0.00 O ATOM 0 H GLY A 80 -11.993 -1.501 6.690 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.911 -3.441 8.585 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.457 -1.831 9.011 1.00 0.00 H new ATOM 1229 N ARG A 81 -13.854 -2.838 5.907 1.00 0.00 N ATOM 1230 CA ARG A 81 -14.825 -2.962 4.827 1.00 0.00 C ATOM 1231 C ARG A 81 -14.490 -4.149 3.929 1.00 0.00 C ATOM 1232 O ARG A 81 -13.446 -4.784 4.085 1.00 0.00 O ATOM 1233 CB ARG A 81 -14.863 -1.677 3.997 1.00 0.00 C ATOM 1234 CG ARG A 81 -15.216 -0.440 4.807 1.00 0.00 C ATOM 1235 CD ARG A 81 -13.977 0.205 5.409 1.00 0.00 C ATOM 1236 NE ARG A 81 -14.201 1.607 5.750 1.00 0.00 N ATOM 1237 CZ ARG A 81 -14.142 2.597 4.866 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -13.869 2.339 3.594 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -14.358 3.848 5.253 1.00 0.00 N ATOM 0 H ARG A 81 -12.886 -2.986 5.623 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.806 -3.129 5.272 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.890 -1.529 3.528 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.590 -1.795 3.193 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.729 0.280 4.169 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.910 -0.711 5.603 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -13.681 -0.343 6.304 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -13.150 0.131 4.702 1.00 0.00 H new ATOM 0 HE ARG A 81 -14.414 1.839 6.720 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -13.704 1.379 3.292 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.824 3.101 2.917 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -14.570 4.050 6.230 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -14.312 4.607 4.573 1.00 0.00 H new ATOM 1253 N TYR A 82 -15.383 -4.445 2.991 1.00 0.00 N ATOM 1254 CA TYR A 82 -15.184 -5.558 2.070 1.00 0.00 C ATOM 1255 C TYR A 82 -15.293 -5.093 0.621 1.00 0.00 C ATOM 1256 O TYR A 82 -16.221 -4.370 0.257 1.00 0.00 O ATOM 1257 CB TYR A 82 -16.209 -6.661 2.342 1.00 0.00 C ATOM 1258 CG TYR A 82 -16.425 -6.937 3.812 1.00 0.00 C ATOM 1259 CD1 TYR A 82 -15.364 -7.294 4.635 1.00 0.00 C ATOM 1260 CD2 TYR A 82 -17.690 -6.843 4.379 1.00 0.00 C ATOM 1261 CE1 TYR A 82 -15.557 -7.549 5.980 1.00 0.00 C ATOM 1262 CE2 TYR A 82 -17.892 -7.094 5.722 1.00 0.00 C ATOM 1263 CZ TYR A 82 -16.822 -7.447 6.518 1.00 0.00 C ATOM 1264 OH TYR A 82 -17.020 -7.699 7.856 1.00 0.00 O ATOM 0 H TYR A 82 -16.252 -3.930 2.848 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.181 -5.954 2.230 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -17.160 -6.381 1.890 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -15.882 -7.578 1.853 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.371 -7.374 4.217 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -18.530 -6.569 3.758 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.721 -7.827 6.606 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -18.882 -7.014 6.147 1.00 0.00 H new ATOM 0 HH TYR A 82 -17.968 -7.582 8.074 1.00 0.00 H new ATOM 1274 N TYR A 83 -14.338 -5.513 -0.201 1.00 0.00 N ATOM 1275 CA TYR A 83 -14.324 -5.139 -1.610 1.00 0.00 C ATOM 1276 C TYR A 83 -14.038 -6.350 -2.493 1.00 0.00 C ATOM 1277 O TYR A 83 -13.190 -7.181 -2.170 1.00 0.00 O ATOM 1278 CB TYR A 83 -13.277 -4.053 -1.861 1.00 0.00 C ATOM 1279 CG TYR A 83 -13.620 -2.723 -1.228 1.00 0.00 C ATOM 1280 CD1 TYR A 83 -14.381 -1.782 -1.911 1.00 0.00 C ATOM 1281 CD2 TYR A 83 -13.183 -2.408 0.053 1.00 0.00 C ATOM 1282 CE1 TYR A 83 -14.696 -0.566 -1.337 1.00 0.00 C ATOM 1283 CE2 TYR A 83 -13.495 -1.194 0.635 1.00 0.00 C ATOM 1284 CZ TYR A 83 -14.251 -0.277 -0.064 1.00 0.00 C ATOM 1285 OH TYR A 83 -14.564 0.933 0.512 1.00 0.00 O ATOM 0 H TYR A 83 -13.564 -6.113 0.084 1.00 0.00 H new ATOM 0 HA TYR A 83 -15.310 -4.750 -1.866 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -12.315 -4.392 -1.476 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -13.160 -3.915 -2.936 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -14.732 -2.005 -2.908 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -12.590 -3.124 0.603 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -15.288 0.155 -1.882 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -13.149 -0.965 1.632 1.00 0.00 H new ATOM 0 HH TYR A 83 -14.528 1.638 -0.168 1.00 0.00 H new ATOM 1295 N ASN A 84 -14.753 -6.442 -3.609 1.00 0.00 N ATOM 1296 CA ASN A 84 -14.577 -7.552 -4.540 1.00 0.00 C ATOM 1297 C ASN A 84 -13.116 -7.685 -4.957 1.00 0.00 C ATOM 1298 O ASN A 84 -12.502 -8.737 -4.777 1.00 0.00 O ATOM 1299 CB ASN A 84 -15.456 -7.351 -5.776 1.00 0.00 C ATOM 1300 CG ASN A 84 -14.904 -8.059 -6.999 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -14.266 -7.442 -7.852 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -15.147 -9.362 -7.088 1.00 0.00 N ATOM 0 H ASN A 84 -15.459 -5.762 -3.891 1.00 0.00 H new ATOM 0 HA ASN A 84 -14.877 -8.470 -4.034 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -16.460 -7.720 -5.568 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -15.545 -6.285 -5.986 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -14.800 -9.892 -7.887 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -15.681 -9.832 -6.357 1.00 0.00 H new ATOM 1309 N SER A 85 -12.564 -6.612 -5.513 1.00 0.00 N ATOM 1310 CA SER A 85 -11.176 -6.610 -5.959 1.00 0.00 C ATOM 1311 C SER A 85 -10.530 -5.249 -5.718 1.00 0.00 C ATOM 1312 O SER A 85 -11.167 -4.209 -5.887 1.00 0.00 O ATOM 1313 CB SER A 85 -11.094 -6.970 -7.444 1.00 0.00 C ATOM 1314 OG SER A 85 -9.768 -7.306 -7.814 1.00 0.00 O ATOM 0 H SER A 85 -13.057 -5.732 -5.666 1.00 0.00 H new ATOM 0 HA SER A 85 -10.634 -7.358 -5.381 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.758 -7.808 -7.655 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.441 -6.129 -8.045 1.00 0.00 H new ATOM 0 HG SER A 85 -9.742 -7.534 -8.767 1.00 0.00 H new ATOM 1320 N ILE A 86 -9.261 -5.264 -5.323 1.00 0.00 N ATOM 1321 CA ILE A 86 -8.528 -4.032 -5.060 1.00 0.00 C ATOM 1322 C ILE A 86 -8.972 -2.917 -6.002 1.00 0.00 C ATOM 1323 O ILE A 86 -9.424 -1.861 -5.561 1.00 0.00 O ATOM 1324 CB ILE A 86 -7.009 -4.238 -5.207 1.00 0.00 C ATOM 1325 CG1 ILE A 86 -6.502 -5.219 -4.148 1.00 0.00 C ATOM 1326 CG2 ILE A 86 -6.281 -2.907 -5.096 1.00 0.00 C ATOM 1327 CD1 ILE A 86 -5.058 -5.626 -4.344 1.00 0.00 C ATOM 0 H ILE A 86 -8.719 -6.116 -5.178 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.750 -3.746 -4.032 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.807 -4.659 -6.192 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.613 -4.767 -3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.128 -6.111 -4.162 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.208 -3.069 -5.202 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.626 -2.237 -5.883 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.486 -2.460 -4.123 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.766 -6.322 -3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.944 -6.107 -5.315 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.422 -4.742 -4.301 1.00 0.00 H new ATOM 1339 N GLY A 87 -8.840 -3.161 -7.302 1.00 0.00 N ATOM 1340 CA GLY A 87 -9.233 -2.169 -8.286 1.00 0.00 C ATOM 1341 C GLY A 87 -10.442 -1.365 -7.848 1.00 0.00 C ATOM 1342 O GLY A 87 -10.410 -0.134 -7.847 1.00 0.00 O ATOM 0 H GLY A 87 -8.468 -4.027 -7.691 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.398 -1.493 -8.469 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.454 -2.666 -9.230 1.00 0.00 H new ATOM 1346 N ASP A 88 -11.510 -2.061 -7.477 1.00 0.00 N ATOM 1347 CA ASP A 88 -12.735 -1.404 -7.036 1.00 0.00 C ATOM 1348 C ASP A 88 -12.449 -0.425 -5.902 1.00 0.00 C ATOM 1349 O ASP A 88 -12.845 0.739 -5.959 1.00 0.00 O ATOM 1350 CB ASP A 88 -13.761 -2.444 -6.582 1.00 0.00 C ATOM 1351 CG ASP A 88 -15.115 -1.829 -6.285 1.00 0.00 C ATOM 1352 OD1 ASP A 88 -15.499 -0.870 -6.987 1.00 0.00 O ATOM 1353 OD2 ASP A 88 -15.792 -2.308 -5.351 1.00 0.00 O ATOM 0 H ASP A 88 -11.553 -3.080 -7.473 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.143 -0.846 -7.879 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.872 -3.203 -7.356 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.391 -2.950 -5.690 1.00 0.00 H new ATOM 1358 N ILE A 89 -11.760 -0.905 -4.872 1.00 0.00 N ATOM 1359 CA ILE A 89 -11.420 -0.072 -3.725 1.00 0.00 C ATOM 1360 C ILE A 89 -10.993 1.323 -4.167 1.00 0.00 C ATOM 1361 O ILE A 89 -11.281 2.314 -3.494 1.00 0.00 O ATOM 1362 CB ILE A 89 -10.292 -0.701 -2.887 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -10.774 -2.000 -2.236 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -9.808 0.280 -1.829 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.650 -2.870 -1.720 1.00 0.00 C ATOM 0 H ILE A 89 -11.426 -1.867 -4.808 1.00 0.00 H new ATOM 0 HA ILE A 89 -12.318 0.003 -3.112 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.457 -0.935 -3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -11.443 -1.757 -1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.357 -2.566 -2.962 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -9.011 -0.179 -1.245 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.431 1.181 -2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.636 0.542 -1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.065 -3.773 -1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.993 -3.144 -2.546 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.080 -2.322 -0.970 1.00 0.00 H new ATOM 1377 N ILE A 90 -10.305 1.394 -5.302 1.00 0.00 N ATOM 1378 CA ILE A 90 -9.841 2.669 -5.835 1.00 0.00 C ATOM 1379 C ILE A 90 -11.007 3.508 -6.347 1.00 0.00 C ATOM 1380 O ILE A 90 -11.107 4.698 -6.046 1.00 0.00 O ATOM 1381 CB ILE A 90 -8.828 2.466 -6.978 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -7.517 1.896 -6.432 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -8.580 3.779 -7.705 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -7.476 0.384 -6.414 1.00 0.00 C ATOM 0 H ILE A 90 -10.057 0.584 -5.870 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.351 3.194 -5.015 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.243 1.752 -7.690 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.689 2.267 -7.037 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.363 2.268 -5.419 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.862 3.619 -8.510 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.517 4.146 -8.122 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.182 4.513 -7.004 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.518 0.051 -6.015 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.282 0.006 -5.786 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.598 0.005 -7.428 1.00 0.00 H new ATOM 1396 N ASP A 91 -11.885 2.881 -7.120 1.00 0.00 N ATOM 1397 CA ASP A 91 -13.047 3.569 -7.672 1.00 0.00 C ATOM 1398 C ASP A 91 -13.960 4.071 -6.559 1.00 0.00 C ATOM 1399 O ASP A 91 -14.661 5.071 -6.720 1.00 0.00 O ATOM 1400 CB ASP A 91 -13.823 2.637 -8.604 1.00 0.00 C ATOM 1401 CG ASP A 91 -13.050 2.303 -9.865 1.00 0.00 C ATOM 1402 OD1 ASP A 91 -12.114 1.480 -9.786 1.00 0.00 O ATOM 1403 OD2 ASP A 91 -13.380 2.866 -10.930 1.00 0.00 O ATOM 0 H ASP A 91 -11.815 1.897 -7.379 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.693 4.428 -8.242 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -14.063 1.715 -8.074 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.770 3.105 -8.875 1.00 0.00 H new ATOM 1408 N HIS A 92 -13.948 3.371 -5.429 1.00 0.00 N ATOM 1409 CA HIS A 92 -14.776 3.746 -4.288 1.00 0.00 C ATOM 1410 C HIS A 92 -14.185 4.949 -3.559 1.00 0.00 C ATOM 1411 O HIS A 92 -14.847 5.974 -3.393 1.00 0.00 O ATOM 1412 CB HIS A 92 -14.916 2.568 -3.323 1.00 0.00 C ATOM 1413 CG HIS A 92 -15.706 2.892 -2.093 1.00 0.00 C ATOM 1414 ND1 HIS A 92 -15.354 3.544 -0.960 1.00 0.00 N flip ATOM 1415 CD2 HIS A 92 -17.028 2.534 -1.932 1.00 0.00 C flip ATOM 1416 CE1 HIS A 92 -16.458 3.568 -0.144 1.00 0.00 C flip ATOM 1417 NE2 HIS A 92 -17.455 2.953 -0.754 1.00 0.00 N flip ATOM 0 H HIS A 92 -13.374 2.541 -5.279 1.00 0.00 H new ATOM 0 HA HIS A 92 -15.763 4.019 -4.661 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -15.393 1.738 -3.843 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -13.922 2.230 -3.028 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -17.622 1.995 -2.656 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -16.504 4.017 0.837 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -18.395 2.824 -0.379 1.00 0.00 H new ATOM 1425 N TYR A 93 -12.936 4.817 -3.126 1.00 0.00 N ATOM 1426 CA TYR A 93 -12.256 5.891 -2.413 1.00 0.00 C ATOM 1427 C TYR A 93 -12.380 7.211 -3.169 1.00 0.00 C ATOM 1428 O TYR A 93 -12.534 8.272 -2.565 1.00 0.00 O ATOM 1429 CB TYR A 93 -10.781 5.543 -2.209 1.00 0.00 C ATOM 1430 CG TYR A 93 -10.516 4.732 -0.961 1.00 0.00 C ATOM 1431 CD1 TYR A 93 -10.992 5.150 0.276 1.00 0.00 C ATOM 1432 CD2 TYR A 93 -9.791 3.548 -1.018 1.00 0.00 C ATOM 1433 CE1 TYR A 93 -10.752 4.412 1.419 1.00 0.00 C ATOM 1434 CE2 TYR A 93 -9.548 2.804 0.120 1.00 0.00 C ATOM 1435 CZ TYR A 93 -10.030 3.240 1.336 1.00 0.00 C ATOM 1436 OH TYR A 93 -9.790 2.502 2.472 1.00 0.00 O ATOM 0 H TYR A 93 -12.374 3.976 -3.257 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.733 6.005 -1.439 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.425 4.987 -3.076 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.202 6.465 -2.162 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.559 6.067 0.345 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.411 3.204 -1.968 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.128 4.751 2.373 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -8.983 1.885 0.058 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.423 1.755 2.516 1.00 0.00 H new ATOM 1446 N ARG A 94 -12.311 7.134 -4.494 1.00 0.00 N ATOM 1447 CA ARG A 94 -12.414 8.322 -5.334 1.00 0.00 C ATOM 1448 C ARG A 94 -13.629 9.159 -4.945 1.00 0.00 C ATOM 1449 O ARG A 94 -13.625 10.382 -5.085 1.00 0.00 O ATOM 1450 CB ARG A 94 -12.507 7.923 -6.808 1.00 0.00 C ATOM 1451 CG ARG A 94 -11.169 7.538 -7.420 1.00 0.00 C ATOM 1452 CD ARG A 94 -11.335 7.019 -8.839 1.00 0.00 C ATOM 1453 NE ARG A 94 -11.423 8.104 -9.812 1.00 0.00 N ATOM 1454 CZ ARG A 94 -11.239 7.937 -11.118 1.00 0.00 C ATOM 1455 NH1 ARG A 94 -10.960 6.736 -11.603 1.00 0.00 N ATOM 1456 NH2 ARG A 94 -11.335 8.974 -11.940 1.00 0.00 N ATOM 0 H ARG A 94 -12.184 6.263 -5.009 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.517 8.923 -5.183 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.197 7.085 -6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.931 8.752 -7.374 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.506 8.404 -7.423 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.693 6.774 -6.805 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -10.493 6.375 -9.090 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -12.234 6.406 -8.898 1.00 0.00 H new ATOM 0 HE ARG A 94 -11.637 9.041 -9.471 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.886 5.937 -10.974 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.819 6.611 -12.605 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.550 9.900 -11.570 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.194 8.845 -12.942 1.00 0.00 H new ATOM 1470 N LYS A 95 -14.669 8.491 -4.456 1.00 0.00 N ATOM 1471 CA LYS A 95 -15.891 9.172 -4.045 1.00 0.00 C ATOM 1472 C LYS A 95 -15.908 9.398 -2.537 1.00 0.00 C ATOM 1473 O LYS A 95 -16.510 10.355 -2.051 1.00 0.00 O ATOM 1474 CB LYS A 95 -17.118 8.357 -4.463 1.00 0.00 C ATOM 1475 CG LYS A 95 -17.279 8.230 -5.968 1.00 0.00 C ATOM 1476 CD LYS A 95 -18.408 7.278 -6.329 1.00 0.00 C ATOM 1477 CE LYS A 95 -19.768 7.884 -6.020 1.00 0.00 C ATOM 1478 NZ LYS A 95 -20.846 7.281 -6.853 1.00 0.00 N ATOM 0 H LYS A 95 -14.690 7.478 -4.335 1.00 0.00 H new ATOM 0 HA LYS A 95 -15.920 10.143 -4.540 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.047 7.360 -4.028 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -18.012 8.823 -4.048 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -17.478 9.212 -6.398 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -16.347 7.873 -6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -18.351 7.030 -7.389 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -18.290 6.346 -5.777 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -20.000 7.738 -4.965 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -19.734 8.960 -6.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -21.757 7.721 -6.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -20.638 7.442 -7.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -20.896 6.259 -6.669 1.00 0.00 H new ATOM 1492 N GLU A 96 -15.243 8.512 -1.803 1.00 0.00 N ATOM 1493 CA GLU A 96 -15.182 8.617 -0.350 1.00 0.00 C ATOM 1494 C GLU A 96 -13.765 8.947 0.113 1.00 0.00 C ATOM 1495 O GLU A 96 -12.842 8.155 -0.071 1.00 0.00 O ATOM 1496 CB GLU A 96 -15.651 7.313 0.298 1.00 0.00 C ATOM 1497 CG GLU A 96 -17.162 7.162 0.338 1.00 0.00 C ATOM 1498 CD GLU A 96 -17.783 7.826 1.553 1.00 0.00 C ATOM 1499 OE1 GLU A 96 -17.757 7.213 2.641 1.00 0.00 O ATOM 1500 OE2 GLU A 96 -18.294 8.957 1.415 1.00 0.00 O ATOM 0 H GLU A 96 -14.739 7.714 -2.190 1.00 0.00 H new ATOM 0 HA GLU A 96 -15.844 9.426 -0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.225 6.472 -0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.262 7.262 1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -17.591 7.594 -0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.418 6.102 0.337 1.00 0.00 H new ATOM 1507 N GLN A 97 -13.604 10.122 0.713 1.00 0.00 N ATOM 1508 CA GLN A 97 -12.300 10.557 1.201 1.00 0.00 C ATOM 1509 C GLN A 97 -11.654 9.479 2.064 1.00 0.00 C ATOM 1510 O GLN A 97 -12.157 9.145 3.137 1.00 0.00 O ATOM 1511 CB GLN A 97 -12.439 11.853 2.001 1.00 0.00 C ATOM 1512 CG GLN A 97 -13.620 11.854 2.958 1.00 0.00 C ATOM 1513 CD GLN A 97 -13.667 13.096 3.826 1.00 0.00 C ATOM 1514 OE1 GLN A 97 -13.617 13.012 5.054 1.00 0.00 O ATOM 1515 NE2 GLN A 97 -13.764 14.258 3.192 1.00 0.00 N ATOM 0 H GLN A 97 -14.359 10.789 0.873 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.659 10.738 0.338 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.523 12.020 2.568 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.543 12.688 1.308 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.545 11.779 2.387 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -13.567 10.972 3.596 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.803 14.281 2.173 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.800 15.128 3.724 1.00 0.00 H new ATOM 1524 N ILE A 98 -10.538 8.937 1.588 1.00 0.00 N ATOM 1525 CA ILE A 98 -9.823 7.897 2.317 1.00 0.00 C ATOM 1526 C ILE A 98 -9.210 8.447 3.600 1.00 0.00 C ATOM 1527 O ILE A 98 -8.875 7.693 4.513 1.00 0.00 O ATOM 1528 CB ILE A 98 -8.710 7.270 1.457 1.00 0.00 C ATOM 1529 CG1 ILE A 98 -7.965 6.196 2.251 1.00 0.00 C ATOM 1530 CG2 ILE A 98 -7.746 8.344 0.974 1.00 0.00 C ATOM 1531 CD1 ILE A 98 -6.936 5.445 1.435 1.00 0.00 C ATOM 0 H ILE A 98 -10.110 9.201 0.701 1.00 0.00 H new ATOM 0 HA ILE A 98 -10.554 7.128 2.567 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.166 6.799 0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.471 6.663 3.103 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -8.688 5.485 2.652 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -6.965 7.886 0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.288 9.076 0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.294 8.840 1.833 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.447 4.700 2.063 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.427 4.949 0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.191 6.145 1.056 1.00 0.00 H new ATOM 1543 N VAL A 99 -9.068 9.767 3.663 1.00 0.00 N ATOM 1544 CA VAL A 99 -8.499 10.419 4.836 1.00 0.00 C ATOM 1545 C VAL A 99 -9.444 11.481 5.387 1.00 0.00 C ATOM 1546 O VAL A 99 -10.483 11.769 4.795 1.00 0.00 O ATOM 1547 CB VAL A 99 -7.143 11.074 4.511 1.00 0.00 C ATOM 1548 CG1 VAL A 99 -6.325 11.267 5.779 1.00 0.00 C ATOM 1549 CG2 VAL A 99 -6.378 10.238 3.496 1.00 0.00 C ATOM 0 H VAL A 99 -9.339 10.406 2.915 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.350 9.644 5.588 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.329 12.055 4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.371 11.731 5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.871 11.909 6.470 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.146 10.299 6.248 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.423 10.715 3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.202 9.242 3.903 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.961 10.157 2.578 1.00 0.00 H new ATOM 1559 N GLU A 100 -9.075 12.060 6.526 1.00 0.00 N ATOM 1560 CA GLU A 100 -9.891 13.089 7.158 1.00 0.00 C ATOM 1561 C GLU A 100 -10.577 13.960 6.109 1.00 0.00 C ATOM 1562 O GLU A 100 -11.718 14.384 6.288 1.00 0.00 O ATOM 1563 CB GLU A 100 -9.032 13.961 8.076 1.00 0.00 C ATOM 1564 CG GLU A 100 -7.995 14.788 7.335 1.00 0.00 C ATOM 1565 CD GLU A 100 -7.300 15.794 8.233 1.00 0.00 C ATOM 1566 OE1 GLU A 100 -8.004 16.578 8.903 1.00 0.00 O ATOM 1567 OE2 GLU A 100 -6.052 15.796 8.265 1.00 0.00 O ATOM 0 H GLU A 100 -8.217 11.834 7.029 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.658 12.593 7.753 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.682 14.630 8.640 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.526 13.323 8.800 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.251 14.123 6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.477 15.314 6.511 1.00 0.00 H new ATOM 1574 N GLY A 101 -9.872 14.222 5.013 1.00 0.00 N ATOM 1575 CA GLY A 101 -10.428 15.041 3.951 1.00 0.00 C ATOM 1576 C GLY A 101 -9.552 15.059 2.714 1.00 0.00 C ATOM 1577 O GLY A 101 -9.089 16.117 2.288 1.00 0.00 O ATOM 0 H GLY A 101 -8.926 13.882 4.841 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.417 14.666 3.687 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.560 16.060 4.314 1.00 0.00 H new ATOM 1581 N TYR A 102 -9.324 13.884 2.136 1.00 0.00 N ATOM 1582 CA TYR A 102 -8.494 13.768 0.943 1.00 0.00 C ATOM 1583 C TYR A 102 -9.044 12.703 -0.001 1.00 0.00 C ATOM 1584 O TYR A 102 -9.559 11.674 0.438 1.00 0.00 O ATOM 1585 CB TYR A 102 -7.053 13.429 1.328 1.00 0.00 C ATOM 1586 CG TYR A 102 -6.310 14.581 1.966 1.00 0.00 C ATOM 1587 CD1 TYR A 102 -6.529 14.925 3.294 1.00 0.00 C ATOM 1588 CD2 TYR A 102 -5.388 15.326 1.240 1.00 0.00 C ATOM 1589 CE1 TYR A 102 -5.853 15.977 3.881 1.00 0.00 C ATOM 1590 CE2 TYR A 102 -4.706 16.379 1.819 1.00 0.00 C ATOM 1591 CZ TYR A 102 -4.943 16.701 3.139 1.00 0.00 C ATOM 1592 OH TYR A 102 -4.266 17.749 3.720 1.00 0.00 O ATOM 0 H TYR A 102 -9.702 12.999 2.474 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.508 14.728 0.427 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.059 12.585 2.018 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.513 13.109 0.437 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -7.240 14.360 3.878 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -5.202 15.078 0.206 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -6.036 16.231 4.915 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.992 16.947 1.241 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.988 18.383 3.027 1.00 0.00 H new ATOM 1602 N TYR A 103 -8.930 12.958 -1.300 1.00 0.00 N ATOM 1603 CA TYR A 103 -9.417 12.023 -2.308 1.00 0.00 C ATOM 1604 C TYR A 103 -8.283 11.569 -3.223 1.00 0.00 C ATOM 1605 O TYR A 103 -7.363 12.334 -3.517 1.00 0.00 O ATOM 1606 CB TYR A 103 -10.529 12.667 -3.136 1.00 0.00 C ATOM 1607 CG TYR A 103 -11.745 13.051 -2.323 1.00 0.00 C ATOM 1608 CD1 TYR A 103 -12.686 12.099 -1.950 1.00 0.00 C ATOM 1609 CD2 TYR A 103 -11.951 14.367 -1.926 1.00 0.00 C ATOM 1610 CE1 TYR A 103 -13.797 12.446 -1.207 1.00 0.00 C ATOM 1611 CE2 TYR A 103 -13.060 14.723 -1.182 1.00 0.00 C ATOM 1612 CZ TYR A 103 -13.980 13.759 -0.826 1.00 0.00 C ATOM 1613 OH TYR A 103 -15.086 14.109 -0.085 1.00 0.00 O ATOM 0 H TYR A 103 -8.505 13.804 -1.680 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.816 11.149 -1.794 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -10.135 13.557 -3.628 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.832 11.976 -3.922 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -12.546 11.070 -2.246 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -11.232 15.124 -2.204 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -14.519 11.693 -0.926 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -13.205 15.750 -0.881 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.064 15.071 0.101 1.00 0.00 H new ATOM 1623 N LEU A 104 -8.357 10.321 -3.670 1.00 0.00 N ATOM 1624 CA LEU A 104 -7.338 9.763 -4.553 1.00 0.00 C ATOM 1625 C LEU A 104 -7.446 10.359 -5.953 1.00 0.00 C ATOM 1626 O LEU A 104 -8.377 10.055 -6.699 1.00 0.00 O ATOM 1627 CB LEU A 104 -7.472 8.241 -4.622 1.00 0.00 C ATOM 1628 CG LEU A 104 -7.459 7.505 -3.282 1.00 0.00 C ATOM 1629 CD1 LEU A 104 -7.601 6.006 -3.496 1.00 0.00 C ATOM 1630 CD2 LEU A 104 -6.182 7.817 -2.515 1.00 0.00 C ATOM 0 H LEU A 104 -9.112 9.676 -3.436 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.360 10.017 -4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.402 8.001 -5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.659 7.852 -5.235 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.308 7.850 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.590 5.498 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.543 5.799 -4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.773 5.645 -4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.190 7.285 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.319 7.500 -3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.121 8.890 -2.330 1.00 0.00 H new ATOM 1642 N LYS A 105 -6.486 11.208 -6.305 1.00 0.00 N ATOM 1643 CA LYS A 105 -6.470 11.844 -7.617 1.00 0.00 C ATOM 1644 C LYS A 105 -5.859 10.918 -8.664 1.00 0.00 C ATOM 1645 O LYS A 105 -6.548 10.454 -9.571 1.00 0.00 O ATOM 1646 CB LYS A 105 -5.684 13.156 -7.561 1.00 0.00 C ATOM 1647 CG LYS A 105 -6.480 14.319 -6.994 1.00 0.00 C ATOM 1648 CD LYS A 105 -7.229 15.066 -8.086 1.00 0.00 C ATOM 1649 CE LYS A 105 -8.102 16.169 -7.507 1.00 0.00 C ATOM 1650 NZ LYS A 105 -8.743 16.986 -8.575 1.00 0.00 N ATOM 0 H LYS A 105 -5.709 11.471 -5.699 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.500 12.056 -7.902 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.790 13.009 -6.955 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.349 13.412 -8.566 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.189 13.949 -6.253 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.808 15.004 -6.478 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.516 15.496 -8.789 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.849 14.367 -8.648 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.873 15.728 -6.875 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.497 16.814 -6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.330 17.727 -8.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.007 17.427 -9.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.340 16.375 -9.168 1.00 0.00 H new ATOM 1664 N GLU A 106 -4.564 10.652 -8.529 1.00 0.00 N ATOM 1665 CA GLU A 106 -3.862 9.780 -9.464 1.00 0.00 C ATOM 1666 C GLU A 106 -2.743 9.017 -8.761 1.00 0.00 C ATOM 1667 O GLU A 106 -2.003 9.564 -7.942 1.00 0.00 O ATOM 1668 CB GLU A 106 -3.287 10.596 -10.623 1.00 0.00 C ATOM 1669 CG GLU A 106 -2.216 11.587 -10.199 1.00 0.00 C ATOM 1670 CD GLU A 106 -1.697 12.417 -11.357 1.00 0.00 C ATOM 1671 OE1 GLU A 106 -2.413 13.343 -11.792 1.00 0.00 O ATOM 1672 OE2 GLU A 106 -0.574 12.140 -11.827 1.00 0.00 O ATOM 0 H GLU A 106 -3.980 11.027 -7.782 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.579 9.059 -9.857 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.867 9.914 -11.362 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.097 11.137 -11.112 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.622 12.250 -9.435 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.386 11.047 -9.744 1.00 0.00 H new ATOM 1679 N PRO A 107 -2.616 7.722 -9.086 1.00 0.00 N ATOM 1680 CA PRO A 107 -1.591 6.855 -8.497 1.00 0.00 C ATOM 1681 C PRO A 107 -0.187 7.214 -8.972 1.00 0.00 C ATOM 1682 O PRO A 107 -0.014 8.066 -9.844 1.00 0.00 O ATOM 1683 CB PRO A 107 -1.981 5.460 -8.989 1.00 0.00 C ATOM 1684 CG PRO A 107 -2.741 5.700 -10.248 1.00 0.00 C ATOM 1685 CD PRO A 107 -3.463 7.005 -10.053 1.00 0.00 C ATOM 0 HA PRO A 107 -1.556 6.944 -7.411 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -1.100 4.844 -9.170 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -2.591 4.937 -8.252 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -2.070 5.750 -11.106 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -3.444 4.890 -10.440 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -3.558 7.555 -10.989 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.472 6.853 -9.668 1.00 0.00 H new ATOM 1693 N VAL A 108 0.814 6.557 -8.394 1.00 0.00 N ATOM 1694 CA VAL A 108 2.204 6.806 -8.760 1.00 0.00 C ATOM 1695 C VAL A 108 2.591 6.026 -10.011 1.00 0.00 C ATOM 1696 O VAL A 108 2.366 4.820 -10.115 1.00 0.00 O ATOM 1697 CB VAL A 108 3.162 6.426 -7.615 1.00 0.00 C ATOM 1698 CG1 VAL A 108 4.605 6.449 -8.096 1.00 0.00 C ATOM 1699 CG2 VAL A 108 2.972 7.361 -6.430 1.00 0.00 C ATOM 0 H VAL A 108 0.689 5.849 -7.671 1.00 0.00 H new ATOM 0 HA VAL A 108 2.293 7.874 -8.959 1.00 0.00 H new ATOM 0 HB VAL A 108 2.928 5.412 -7.290 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.267 6.178 -7.274 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.728 5.736 -8.911 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.855 7.450 -8.448 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.656 7.078 -5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 108 3.178 8.386 -6.739 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.945 7.289 -6.071 1.00 0.00 H new ATOM 1709 N PRO A 109 3.187 6.728 -10.985 1.00 0.00 N ATOM 1710 CA PRO A 109 3.619 6.122 -12.248 1.00 0.00 C ATOM 1711 C PRO A 109 4.807 5.183 -12.063 1.00 0.00 C ATOM 1712 O PRO A 109 5.668 5.415 -11.215 1.00 0.00 O ATOM 1713 CB PRO A 109 4.019 7.327 -13.102 1.00 0.00 C ATOM 1714 CG PRO A 109 4.381 8.386 -12.118 1.00 0.00 C ATOM 1715 CD PRO A 109 3.486 8.169 -10.929 1.00 0.00 C ATOM 0 HA PRO A 109 2.837 5.508 -12.694 1.00 0.00 H new ATOM 0 HB2 PRO A 109 4.859 7.089 -13.754 1.00 0.00 H new ATOM 0 HB3 PRO A 109 3.198 7.647 -13.744 1.00 0.00 H new ATOM 0 HG2 PRO A 109 5.431 8.313 -11.835 1.00 0.00 H new ATOM 0 HG3 PRO A 109 4.233 9.379 -12.542 1.00 0.00 H new ATOM 0 HD2 PRO A 109 3.983 8.440 -9.997 1.00 0.00 H new ATOM 0 HD3 PRO A 109 2.579 8.770 -10.994 1.00 0.00 H new ATOM 1723 N MET A 110 4.847 4.122 -12.863 1.00 0.00 N ATOM 1724 CA MET A 110 5.931 3.150 -12.789 1.00 0.00 C ATOM 1725 C MET A 110 7.056 3.514 -13.752 1.00 0.00 C ATOM 1726 O MET A 110 6.836 4.215 -14.739 1.00 0.00 O ATOM 1727 CB MET A 110 5.408 1.747 -13.103 1.00 0.00 C ATOM 1728 CG MET A 110 4.776 1.628 -14.481 1.00 0.00 C ATOM 1729 SD MET A 110 5.992 1.691 -15.811 1.00 0.00 S ATOM 1730 CE MET A 110 5.202 2.837 -16.938 1.00 0.00 C ATOM 0 H MET A 110 4.141 3.914 -13.570 1.00 0.00 H new ATOM 0 HA MET A 110 6.329 3.163 -11.774 1.00 0.00 H new ATOM 0 HB2 MET A 110 6.231 1.036 -13.027 1.00 0.00 H new ATOM 0 HB3 MET A 110 4.673 1.465 -12.349 1.00 0.00 H new ATOM 0 HG2 MET A 110 4.224 0.690 -14.543 1.00 0.00 H new ATOM 0 HG3 MET A 110 4.054 2.433 -14.616 1.00 0.00 H new ATOM 0 HE1 MET A 110 5.892 3.090 -17.743 1.00 0.00 H new ATOM 0 HE2 MET A 110 4.308 2.376 -17.358 1.00 0.00 H new ATOM 0 HE3 MET A 110 4.924 3.743 -16.400 1.00 0.00 H new