USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 802 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 70 ASN : amide:sc= -0.776 K(o=-1.6,f=-4.8!) USER MOD Set 1.2: B 501 MET CE :methyl -107:sc= -0.628 (180deg=-0.591) USER MOD Set 1.3: B 502 THR OG1 : rot 26:sc= -0.24 USER MOD Set 2.1: A 54 SER OG : rot 180:sc= 0.133 USER MOD Set 2.2: A 56 LYS NZ :NH3+ -108:sc= 0.00496 (180deg=-2.07!) USER MOD Set 3.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 58 HIS : no HD1:sc= -3.16! C(o=-3.2!,f=-10!) USER MOD Set 4.1: A 22 LYS NZ :NH3+ -164:sc= 0.0992 (180deg=-0.155) USER MOD Set 4.2: A 35 SER OG : rot 180:sc= 0.201 USER MOD Single : A 19 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.2) USER MOD Single : A 20 LYS NZ :NH3+ 165:sc= -0.0127 (180deg=-0.21) USER MOD Single : A 25 ASN : amide:sc= -0.0417 K(o=-0.042,f=-0.7) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 38 MET CE :methyl 161:sc= -10.3! (180deg=-13.3!) USER MOD Single : A 41 THR OG1 : rot -72:sc= 1.33 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 20:sc= -3.48! USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= -0.0134 (180deg=-0.219) USER MOD Single : A 59 TYR OH : rot 70:sc= -2.02! USER MOD Single : A 61 CYS SG : rot 180:sc= -1.13 USER MOD Single : A 65 TYR OH : rot -100:sc= 0.333 USER MOD Single : A 67 TYR OH : rot 67:sc= 1.04 USER MOD Single : A 69 SER OG : rot 86:sc= 1.28 USER MOD Single : A 73 SER OG : rot 60:sc= -3.36! USER MOD Single : A 76 SER OG : rot 25:sc= 0.377 USER MOD Single : A 90 LYS NZ :NH3+ -162:sc= 0.107 (180deg=-0.645!) USER MOD Single : A 91 CYS SG : rot 52:sc= -5.85! USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 MET CE :methyl 178:sc= -4.68! (180deg=-4.72!) USER MOD Single : A 102 GLN : amide:sc= -7.35! C(o=-7.4!,f=-10!) USER MOD Single : A 105 MET CE :methyl -117:sc= -4.83! (180deg=-9.62!) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.123 F(o=-3.1!,f=-0.12) USER MOD Single : A 107 ASN : amide:sc= 1.13 K(o=1.1,f=-0.036) USER MOD Single : A 108 ASN : amide:sc= -4.79! C(o=-4.8!,f=-4.5!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : B 503 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 509 ASN : amide:sc= -0.323 K(o=-0.32,f=-6.5!) USER MOD Single : B 511 GLN : amide:sc= -4.47! C(o=-4.5!,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 173 N ASN A 19 -1.675 12.290 -0.152 1.00 0.00 N ATOM 174 CA ASN A 19 -1.295 10.955 0.241 1.00 0.00 C ATOM 175 C ASN A 19 -2.278 10.355 1.250 1.00 0.00 C ATOM 176 O ASN A 19 -2.251 9.159 1.514 1.00 0.00 O ATOM 177 CB ASN A 19 0.117 11.005 0.806 1.00 0.00 C ATOM 178 CG ASN A 19 1.171 11.428 -0.209 1.00 0.00 C ATOM 179 OD1 ASN A 19 0.932 12.287 -1.061 1.00 0.00 O ATOM 180 ND2 ASN A 19 2.345 10.830 -0.126 1.00 0.00 N ATOM 0 HA ASN A 19 -1.321 10.303 -0.632 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.137 11.698 1.647 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.377 10.021 1.197 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.089 11.074 -0.779 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.508 10.124 0.592 1.00 0.00 H new ATOM 187 N LYS A 20 -3.161 11.182 1.792 1.00 0.00 N ATOM 188 CA LYS A 20 -4.187 10.704 2.716 1.00 0.00 C ATOM 189 C LYS A 20 -5.447 10.377 1.953 1.00 0.00 C ATOM 190 O LYS A 20 -6.183 11.269 1.526 1.00 0.00 O ATOM 191 CB LYS A 20 -4.489 11.765 3.761 1.00 0.00 C ATOM 192 CG LYS A 20 -3.914 11.416 5.103 1.00 0.00 C ATOM 193 CD LYS A 20 -4.807 10.486 5.878 1.00 0.00 C ATOM 194 CE LYS A 20 -4.275 10.276 7.280 1.00 0.00 C ATOM 195 NZ LYS A 20 -4.385 11.496 8.125 1.00 0.00 N ATOM 0 H LYS A 20 -3.190 12.185 1.610 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.819 9.808 3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.085 12.722 3.432 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.568 11.888 3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.937 10.951 4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.756 12.329 5.678 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.815 10.897 5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.877 9.528 5.363 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.822 9.461 7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.230 9.970 7.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.251 11.240 9.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.655 12.181 7.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.326 11.921 8.000 1.00 0.00 H new ATOM 209 N PHE A 21 -5.695 9.101 1.792 1.00 0.00 N ATOM 210 CA PHE A 21 -6.895 8.658 1.092 1.00 0.00 C ATOM 211 C PHE A 21 -7.809 7.844 1.980 1.00 0.00 C ATOM 212 O PHE A 21 -7.393 6.868 2.584 1.00 0.00 O ATOM 213 CB PHE A 21 -6.516 7.856 -0.151 1.00 0.00 C ATOM 214 CG PHE A 21 -6.045 8.709 -1.289 1.00 0.00 C ATOM 215 CD1 PHE A 21 -6.487 10.014 -1.440 1.00 0.00 C ATOM 216 CD2 PHE A 21 -5.149 8.207 -2.202 1.00 0.00 C ATOM 217 CE1 PHE A 21 -6.034 10.788 -2.482 1.00 0.00 C ATOM 218 CE2 PHE A 21 -4.694 8.969 -3.232 1.00 0.00 C ATOM 219 CZ PHE A 21 -5.133 10.264 -3.379 1.00 0.00 C ATOM 0 H PHE A 21 -5.093 8.350 2.129 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.444 9.551 0.794 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.732 7.145 0.109 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.379 7.274 -0.476 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.193 10.426 -0.734 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.800 7.190 -2.100 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.384 11.803 -2.596 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.986 8.557 -3.936 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.771 10.868 -4.197 1.00 0.00 H new ATOM 229 N LYS A 22 -9.059 8.258 2.066 1.00 0.00 N ATOM 230 CA LYS A 22 -10.064 7.477 2.760 1.00 0.00 C ATOM 231 C LYS A 22 -10.462 6.281 1.911 1.00 0.00 C ATOM 232 O LYS A 22 -11.174 6.416 0.914 1.00 0.00 O ATOM 233 CB LYS A 22 -11.287 8.325 3.077 1.00 0.00 C ATOM 234 CG LYS A 22 -11.332 8.845 4.494 1.00 0.00 C ATOM 235 CD LYS A 22 -11.541 7.732 5.514 1.00 0.00 C ATOM 236 CE LYS A 22 -12.951 7.173 5.457 1.00 0.00 C ATOM 237 NZ LYS A 22 -13.203 6.173 6.527 1.00 0.00 N ATOM 0 H LYS A 22 -9.402 9.130 1.664 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.641 7.126 3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.316 9.171 2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.183 7.733 2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.402 9.368 4.716 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.137 9.574 4.585 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.825 6.931 5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.342 8.114 6.515 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.667 7.989 5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.118 6.711 4.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.057 5.626 6.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.389 5.529 6.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.339 6.662 7.435 1.00 0.00 H new ATOM 251 N VAL A 23 -9.981 5.120 2.301 1.00 0.00 N ATOM 252 CA VAL A 23 -10.282 3.894 1.602 1.00 0.00 C ATOM 253 C VAL A 23 -11.383 3.151 2.336 1.00 0.00 C ATOM 254 O VAL A 23 -11.986 3.665 3.277 1.00 0.00 O ATOM 255 CB VAL A 23 -9.029 2.990 1.521 1.00 0.00 C ATOM 256 CG1 VAL A 23 -7.880 3.729 0.864 1.00 0.00 C ATOM 257 CG2 VAL A 23 -8.626 2.520 2.904 1.00 0.00 C ATOM 0 H VAL A 23 -9.372 5.002 3.110 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.605 4.142 0.591 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.274 2.119 0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.008 3.077 0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.167 4.025 -0.145 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.637 4.617 1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.743 1.885 2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.401 3.383 3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.444 1.953 3.348 1.00 0.00 H new ATOM 267 N ILE A 24 -11.663 1.960 1.891 1.00 0.00 N ATOM 268 CA ILE A 24 -12.562 1.085 2.594 1.00 0.00 C ATOM 269 C ILE A 24 -11.919 -0.271 2.771 1.00 0.00 C ATOM 270 O ILE A 24 -11.663 -0.943 1.793 1.00 0.00 O ATOM 271 CB ILE A 24 -13.843 0.859 1.813 1.00 0.00 C ATOM 272 CG1 ILE A 24 -14.725 2.101 1.756 1.00 0.00 C ATOM 273 CG2 ILE A 24 -14.575 -0.281 2.439 1.00 0.00 C ATOM 274 CD1 ILE A 24 -15.625 2.111 0.542 1.00 0.00 C ATOM 0 H ILE A 24 -11.277 1.567 1.033 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.785 1.558 3.551 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.584 0.629 0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -15.335 2.152 2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -14.095 2.991 1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.501 -0.462 1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -13.953 -1.175 2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.806 -0.039 3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.233 3.016 0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -15.017 2.088 -0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -16.275 1.237 0.564 1.00 0.00 H new ATOM 286 N ASN A 25 -11.675 -0.713 3.976 1.00 0.00 N ATOM 287 CA ASN A 25 -11.125 -2.044 4.107 1.00 0.00 C ATOM 288 C ASN A 25 -12.219 -3.079 3.832 1.00 0.00 C ATOM 289 O ASN A 25 -13.176 -3.239 4.602 1.00 0.00 O ATOM 290 CB ASN A 25 -10.408 -2.282 5.449 1.00 0.00 C ATOM 291 CG ASN A 25 -11.261 -2.061 6.687 1.00 0.00 C ATOM 292 OD1 ASN A 25 -11.317 -0.954 7.231 1.00 0.00 O ATOM 293 ND2 ASN A 25 -11.900 -3.118 7.163 1.00 0.00 N ATOM 0 H ASN A 25 -11.837 -0.204 4.845 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.341 -2.156 3.358 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.031 -3.305 5.465 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.542 -1.622 5.502 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.464 -3.035 8.009 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.828 -4.016 6.684 1.00 0.00 H new ATOM 300 N VAL A 26 -12.079 -3.734 2.683 1.00 0.00 N ATOM 301 CA VAL A 26 -13.064 -4.676 2.165 1.00 0.00 C ATOM 302 C VAL A 26 -12.401 -6.046 2.012 1.00 0.00 C ATOM 303 O VAL A 26 -11.309 -6.133 1.457 1.00 0.00 O ATOM 304 CB VAL A 26 -13.591 -4.206 0.792 1.00 0.00 C ATOM 305 CG1 VAL A 26 -14.432 -2.969 0.963 1.00 0.00 C ATOM 306 CG2 VAL A 26 -12.466 -3.904 -0.169 1.00 0.00 C ATOM 0 H VAL A 26 -11.266 -3.623 2.077 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.903 -4.736 2.858 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.188 -5.018 0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.801 -2.642 -0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.276 -3.190 1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.828 -2.177 1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.880 -3.577 -1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.837 -3.115 0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.868 -4.802 -0.322 1.00 0.00 H new ATOM 316 N ASP A 27 -13.008 -7.125 2.487 1.00 0.00 N ATOM 317 CA ASP A 27 -12.292 -8.397 2.433 1.00 0.00 C ATOM 318 C ASP A 27 -13.081 -9.523 1.771 1.00 0.00 C ATOM 319 O ASP A 27 -14.178 -9.869 2.195 1.00 0.00 O ATOM 320 CB ASP A 27 -11.840 -8.819 3.833 1.00 0.00 C ATOM 321 CG ASP A 27 -11.155 -10.172 3.846 1.00 0.00 C ATOM 322 OD1 ASP A 27 -9.966 -10.259 3.456 1.00 0.00 O ATOM 323 OD2 ASP A 27 -11.796 -11.157 4.265 1.00 0.00 O ATOM 0 H ASP A 27 -13.943 -7.153 2.894 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.422 -8.222 1.800 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.158 -8.068 4.232 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.705 -8.848 4.496 1.00 0.00 H new ATOM 328 N ASP A 28 -12.453 -10.102 0.742 1.00 0.00 N ATOM 329 CA ASP A 28 -12.955 -11.269 -0.017 1.00 0.00 C ATOM 330 C ASP A 28 -14.374 -11.083 -0.585 1.00 0.00 C ATOM 331 O ASP A 28 -14.918 -11.986 -1.215 1.00 0.00 O ATOM 332 CB ASP A 28 -12.894 -12.533 0.853 1.00 0.00 C ATOM 333 CG ASP A 28 -13.103 -13.808 0.051 1.00 0.00 C ATOM 334 OD1 ASP A 28 -12.181 -14.201 -0.707 1.00 0.00 O ATOM 335 OD2 ASP A 28 -14.185 -14.419 0.164 1.00 0.00 O ATOM 0 H ASP A 28 -11.553 -9.767 0.398 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.296 -11.374 -0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.927 -12.578 1.354 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.654 -12.470 1.632 1.00 0.00 H new ATOM 340 N ASP A 29 -14.953 -9.905 -0.419 1.00 0.00 N ATOM 341 CA ASP A 29 -16.284 -9.631 -0.960 1.00 0.00 C ATOM 342 C ASP A 29 -16.367 -8.206 -1.484 1.00 0.00 C ATOM 343 O ASP A 29 -17.365 -7.809 -2.085 1.00 0.00 O ATOM 344 CB ASP A 29 -17.375 -9.847 0.097 1.00 0.00 C ATOM 345 CG ASP A 29 -17.589 -11.307 0.442 1.00 0.00 C ATOM 346 OD1 ASP A 29 -18.324 -11.997 -0.292 1.00 0.00 O ATOM 347 OD2 ASP A 29 -17.035 -11.772 1.461 1.00 0.00 O ATOM 0 H ASP A 29 -14.529 -9.124 0.082 1.00 0.00 H new ATOM 0 HA ASP A 29 -16.450 -10.330 -1.780 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.108 -9.301 1.002 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -18.312 -9.425 -0.265 1.00 0.00 H new ATOM 352 N GLY A 30 -15.295 -7.449 -1.269 1.00 0.00 N ATOM 353 CA GLY A 30 -15.294 -6.031 -1.583 1.00 0.00 C ATOM 354 C GLY A 30 -16.289 -5.301 -0.720 1.00 0.00 C ATOM 355 O GLY A 30 -16.740 -4.209 -1.053 1.00 0.00 O ATOM 0 H GLY A 30 -14.419 -7.797 -0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.297 -5.619 -1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.539 -5.885 -2.635 1.00 0.00 H new ATOM 359 N ASN A 31 -16.619 -5.915 0.407 1.00 0.00 N ATOM 360 CA ASN A 31 -17.592 -5.357 1.317 1.00 0.00 C ATOM 361 C ASN A 31 -16.900 -4.464 2.299 1.00 0.00 C ATOM 362 O ASN A 31 -15.909 -4.869 2.901 1.00 0.00 O ATOM 363 CB ASN A 31 -18.331 -6.462 2.068 1.00 0.00 C ATOM 364 CG ASN A 31 -19.699 -6.026 2.557 1.00 0.00 C ATOM 365 OD1 ASN A 31 -19.911 -4.869 2.920 1.00 0.00 O ATOM 366 ND2 ASN A 31 -20.646 -6.947 2.547 1.00 0.00 N ATOM 0 H ASN A 31 -16.221 -6.804 0.709 1.00 0.00 H new ATOM 0 HA ASN A 31 -18.318 -4.785 0.740 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.442 -7.327 1.415 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.730 -6.781 2.920 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -21.592 -6.710 2.847 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -20.432 -7.896 2.239 1.00 0.00 H new ATOM 373 N GLU A 32 -17.383 -3.234 2.411 1.00 0.00 N ATOM 374 CA GLU A 32 -16.848 -2.291 3.365 1.00 0.00 C ATOM 375 C GLU A 32 -16.943 -2.854 4.778 1.00 0.00 C ATOM 376 O GLU A 32 -17.905 -2.590 5.502 1.00 0.00 O ATOM 377 CB GLU A 32 -17.609 -0.968 3.293 1.00 0.00 C ATOM 378 CG GLU A 32 -17.665 -0.379 1.900 1.00 0.00 C ATOM 379 CD GLU A 32 -19.026 0.151 1.534 1.00 0.00 C ATOM 380 OE1 GLU A 32 -19.437 1.191 2.085 1.00 0.00 O ATOM 381 OE2 GLU A 32 -19.693 -0.476 0.693 1.00 0.00 O ATOM 0 H GLU A 32 -18.150 -2.871 1.845 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.801 -2.115 3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.626 -1.123 3.655 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.138 -0.250 3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -16.936 0.428 1.824 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.373 -1.142 1.178 1.00 0.00 H new ATOM 388 N LEU A 33 -15.941 -3.628 5.158 1.00 0.00 N ATOM 389 CA LEU A 33 -15.850 -4.207 6.490 1.00 0.00 C ATOM 390 C LEU A 33 -15.238 -3.178 7.421 1.00 0.00 C ATOM 391 O LEU A 33 -14.497 -3.489 8.353 1.00 0.00 O ATOM 392 CB LEU A 33 -15.012 -5.486 6.439 1.00 0.00 C ATOM 393 CG LEU A 33 -15.778 -6.777 6.116 1.00 0.00 C ATOM 394 CD1 LEU A 33 -17.024 -6.477 5.319 1.00 0.00 C ATOM 395 CD2 LEU A 33 -14.911 -7.714 5.309 1.00 0.00 C ATOM 0 H LEU A 33 -15.162 -3.875 4.548 1.00 0.00 H new ATOM 0 HA LEU A 33 -16.839 -4.474 6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.229 -5.355 5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.517 -5.611 7.402 1.00 0.00 H new ATOM 0 HG LEU A 33 -16.053 -7.243 7.062 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.550 -7.407 5.102 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -17.674 -5.818 5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.749 -5.989 4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -15.467 -8.625 5.088 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.622 -7.230 4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.017 -7.965 5.880 1.00 0.00 H new ATOM 407 N GLY A 34 -15.580 -1.945 7.127 1.00 0.00 N ATOM 408 CA GLY A 34 -15.003 -0.801 7.771 1.00 0.00 C ATOM 409 C GLY A 34 -14.349 0.070 6.737 1.00 0.00 C ATOM 410 O GLY A 34 -13.622 -0.432 5.889 1.00 0.00 O ATOM 0 H GLY A 34 -16.279 -1.711 6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.773 -0.241 8.302 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.270 -1.118 8.513 1.00 0.00 H new ATOM 414 N SER A 35 -14.628 1.351 6.734 1.00 0.00 N ATOM 415 CA SER A 35 -13.955 2.199 5.787 1.00 0.00 C ATOM 416 C SER A 35 -12.763 2.870 6.452 1.00 0.00 C ATOM 417 O SER A 35 -12.900 3.572 7.453 1.00 0.00 O ATOM 418 CB SER A 35 -14.907 3.210 5.146 1.00 0.00 C ATOM 419 OG SER A 35 -15.510 4.050 6.117 1.00 0.00 O ATOM 0 H SER A 35 -15.292 1.815 7.354 1.00 0.00 H new ATOM 0 HA SER A 35 -13.585 1.580 4.970 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.360 3.819 4.426 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.681 2.680 4.592 1.00 0.00 H new ATOM 0 HG SER A 35 -16.110 4.685 5.673 1.00 0.00 H new ATOM 425 N GLY A 36 -11.592 2.635 5.894 1.00 0.00 N ATOM 426 CA GLY A 36 -10.368 3.079 6.516 1.00 0.00 C ATOM 427 C GLY A 36 -9.778 4.291 5.826 1.00 0.00 C ATOM 428 O GLY A 36 -10.399 4.890 4.961 1.00 0.00 O ATOM 0 H GLY A 36 -11.466 2.139 5.012 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.561 3.317 7.562 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.641 2.267 6.503 1.00 0.00 H new ATOM 432 N ILE A 37 -8.602 4.677 6.253 1.00 0.00 N ATOM 433 CA ILE A 37 -7.754 5.573 5.492 1.00 0.00 C ATOM 434 C ILE A 37 -6.666 4.737 4.864 1.00 0.00 C ATOM 435 O ILE A 37 -6.507 3.594 5.208 1.00 0.00 O ATOM 436 CB ILE A 37 -7.070 6.634 6.398 1.00 0.00 C ATOM 437 CG1 ILE A 37 -8.072 7.633 6.972 1.00 0.00 C ATOM 438 CG2 ILE A 37 -5.989 7.405 5.637 1.00 0.00 C ATOM 439 CD1 ILE A 37 -8.415 8.759 6.018 1.00 0.00 C ATOM 0 H ILE A 37 -8.200 4.380 7.142 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.367 6.093 4.756 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.615 6.080 7.219 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.986 7.105 7.242 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.666 8.056 7.891 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.531 8.139 6.300 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.227 6.710 5.283 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.438 7.916 4.785 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.131 9.431 6.491 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.510 9.312 5.767 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.851 8.345 5.109 1.00 0.00 H new ATOM 451 N MET A 38 -5.939 5.305 3.962 1.00 0.00 N ATOM 452 CA MET A 38 -4.729 4.724 3.496 1.00 0.00 C ATOM 453 C MET A 38 -3.749 5.852 3.262 1.00 0.00 C ATOM 454 O MET A 38 -3.720 6.483 2.205 1.00 0.00 O ATOM 455 CB MET A 38 -4.974 3.870 2.277 1.00 0.00 C ATOM 456 CG MET A 38 -3.789 3.053 1.896 1.00 0.00 C ATOM 457 SD MET A 38 -3.363 1.872 3.169 1.00 0.00 S ATOM 458 CE MET A 38 -4.965 1.108 3.331 1.00 0.00 C ATOM 0 H MET A 38 -6.172 6.196 3.524 1.00 0.00 H new ATOM 0 HA MET A 38 -4.304 4.041 4.232 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.820 3.209 2.467 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.252 4.511 1.440 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.995 2.526 0.965 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.939 3.709 1.710 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.858 0.137 3.815 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.613 1.745 3.934 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.406 0.974 2.343 1.00 0.00 H new ATOM 468 N GLU A 39 -3.015 6.134 4.322 1.00 0.00 N ATOM 469 CA GLU A 39 -2.079 7.225 4.391 1.00 0.00 C ATOM 470 C GLU A 39 -0.799 6.822 3.675 1.00 0.00 C ATOM 471 O GLU A 39 0.032 6.098 4.234 1.00 0.00 O ATOM 472 CB GLU A 39 -1.769 7.426 5.854 1.00 0.00 C ATOM 473 CG GLU A 39 -0.679 8.423 6.183 1.00 0.00 C ATOM 474 CD GLU A 39 -1.072 9.869 5.963 1.00 0.00 C ATOM 475 OE1 GLU A 39 -1.056 10.333 4.806 1.00 0.00 O ATOM 476 OE2 GLU A 39 -1.397 10.553 6.958 1.00 0.00 O ATOM 0 H GLU A 39 -3.060 5.589 5.183 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.482 8.129 3.933 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.683 7.742 6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.489 6.462 6.279 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.385 8.293 7.225 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.197 8.200 5.575 1.00 0.00 H new ATOM 483 N LEU A 40 -0.650 7.245 2.450 1.00 0.00 N ATOM 484 CA LEU A 40 0.479 6.836 1.655 1.00 0.00 C ATOM 485 C LEU A 40 1.724 7.655 1.967 1.00 0.00 C ATOM 486 O LEU A 40 1.874 8.774 1.496 1.00 0.00 O ATOM 487 CB LEU A 40 0.124 6.957 0.184 1.00 0.00 C ATOM 488 CG LEU A 40 -0.248 5.649 -0.501 1.00 0.00 C ATOM 489 CD1 LEU A 40 -0.573 5.917 -1.944 1.00 0.00 C ATOM 490 CD2 LEU A 40 0.905 4.664 -0.405 1.00 0.00 C ATOM 0 H LEU A 40 -1.298 7.875 1.977 1.00 0.00 H new ATOM 0 HA LEU A 40 0.709 5.799 1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.710 7.652 0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.971 7.397 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.119 5.218 -0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.840 4.982 -2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.411 6.611 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.296 6.352 -2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.629 3.732 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.785 5.085 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.129 4.468 0.643 1.00 0.00 H new ATOM 502 N THR A 41 2.624 7.103 2.761 1.00 0.00 N ATOM 503 CA THR A 41 3.873 7.789 3.033 1.00 0.00 C ATOM 504 C THR A 41 5.039 7.070 2.373 1.00 0.00 C ATOM 505 O THR A 41 4.835 6.162 1.574 1.00 0.00 O ATOM 506 CB THR A 41 4.149 7.944 4.528 1.00 0.00 C ATOM 507 OG1 THR A 41 4.342 6.668 5.158 1.00 0.00 O ATOM 508 CG2 THR A 41 3.015 8.690 5.207 1.00 0.00 C ATOM 0 H THR A 41 2.517 6.199 3.221 1.00 0.00 H new ATOM 0 HA THR A 41 3.771 8.789 2.611 1.00 0.00 H new ATOM 0 HB THR A 41 5.068 8.521 4.635 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.485 6.196 5.211 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.231 8.790 6.271 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.913 9.680 4.763 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.085 8.136 5.076 1.00 0.00 H new ATOM 516 N ASP A 42 6.257 7.487 2.720 1.00 0.00 N ATOM 517 CA ASP A 42 7.477 6.921 2.138 1.00 0.00 C ATOM 518 C ASP A 42 7.487 5.427 2.222 1.00 0.00 C ATOM 519 O ASP A 42 7.729 4.739 1.236 1.00 0.00 O ATOM 520 CB ASP A 42 8.734 7.414 2.854 1.00 0.00 C ATOM 521 CG ASP A 42 8.500 8.619 3.731 1.00 0.00 C ATOM 522 OD1 ASP A 42 8.375 9.741 3.202 1.00 0.00 O ATOM 523 OD2 ASP A 42 8.430 8.442 4.965 1.00 0.00 O ATOM 0 H ASP A 42 6.427 8.221 3.407 1.00 0.00 H new ATOM 0 HA ASP A 42 7.481 7.248 1.098 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.135 6.604 3.464 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.492 7.659 2.110 1.00 0.00 H new ATOM 528 N THR A 43 7.262 4.909 3.400 1.00 0.00 N ATOM 529 CA THR A 43 7.421 3.504 3.571 1.00 0.00 C ATOM 530 C THR A 43 6.254 2.862 4.276 1.00 0.00 C ATOM 531 O THR A 43 6.191 1.651 4.349 1.00 0.00 O ATOM 532 CB THR A 43 8.668 3.178 4.381 1.00 0.00 C ATOM 533 OG1 THR A 43 8.483 3.581 5.740 1.00 0.00 O ATOM 534 CG2 THR A 43 9.887 3.877 3.825 1.00 0.00 C ATOM 0 H THR A 43 6.976 5.428 4.230 1.00 0.00 H new ATOM 0 HA THR A 43 7.498 3.106 2.559 1.00 0.00 H new ATOM 0 HB THR A 43 8.827 2.101 4.324 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.288 3.367 6.257 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.759 3.622 4.427 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.051 3.558 2.796 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.731 4.956 3.851 1.00 0.00 H new ATOM 542 N GLU A 44 5.356 3.641 4.832 1.00 0.00 N ATOM 543 CA GLU A 44 4.261 3.049 5.566 1.00 0.00 C ATOM 544 C GLU A 44 2.925 3.540 5.072 1.00 0.00 C ATOM 545 O GLU A 44 2.633 4.735 5.061 1.00 0.00 O ATOM 546 CB GLU A 44 4.406 3.284 7.064 1.00 0.00 C ATOM 547 CG GLU A 44 5.264 2.247 7.761 1.00 0.00 C ATOM 548 CD GLU A 44 5.950 2.784 8.998 1.00 0.00 C ATOM 549 OE1 GLU A 44 5.261 3.022 10.014 1.00 0.00 O ATOM 550 OE2 GLU A 44 7.186 2.971 8.961 1.00 0.00 O ATOM 0 H GLU A 44 5.359 4.660 4.793 1.00 0.00 H new ATOM 0 HA GLU A 44 4.302 1.974 5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.838 4.271 7.228 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.416 3.290 7.520 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.643 1.395 8.037 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.018 1.879 7.065 1.00 0.00 H new ATOM 557 N LEU A 45 2.134 2.587 4.658 1.00 0.00 N ATOM 558 CA LEU A 45 0.774 2.820 4.258 1.00 0.00 C ATOM 559 C LEU A 45 -0.108 2.794 5.485 1.00 0.00 C ATOM 560 O LEU A 45 -0.589 1.744 5.902 1.00 0.00 O ATOM 561 CB LEU A 45 0.384 1.728 3.262 1.00 0.00 C ATOM 562 CG LEU A 45 0.572 2.062 1.805 1.00 0.00 C ATOM 563 CD1 LEU A 45 1.003 0.834 1.035 1.00 0.00 C ATOM 564 CD2 LEU A 45 -0.720 2.557 1.244 1.00 0.00 C ATOM 0 H LEU A 45 2.422 1.611 4.588 1.00 0.00 H new ATOM 0 HA LEU A 45 0.657 3.793 3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.966 0.835 3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.664 1.475 3.423 1.00 0.00 H new ATOM 0 HG LEU A 45 1.342 2.829 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.135 1.091 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.945 0.463 1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.240 0.061 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.589 2.800 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.481 1.784 1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.034 3.449 1.786 1.00 0.00 H new ATOM 576 N ILE A 46 -0.301 3.960 6.075 1.00 0.00 N ATOM 577 CA ILE A 46 -1.014 4.048 7.328 1.00 0.00 C ATOM 578 C ILE A 46 -2.528 4.033 7.056 1.00 0.00 C ATOM 579 O ILE A 46 -3.141 5.062 6.798 1.00 0.00 O ATOM 580 CB ILE A 46 -0.603 5.308 8.159 1.00 0.00 C ATOM 581 CG1 ILE A 46 0.913 5.409 8.307 1.00 0.00 C ATOM 582 CG2 ILE A 46 -1.241 5.246 9.508 1.00 0.00 C ATOM 583 CD1 ILE A 46 1.581 4.082 8.444 1.00 0.00 C ATOM 0 H ILE A 46 0.026 4.853 5.706 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.745 3.182 7.933 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.947 6.195 7.627 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.322 5.926 7.439 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.146 6.018 9.181 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.954 6.124 10.087 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.325 5.223 9.397 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.910 4.346 10.026 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.657 4.225 8.545 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.198 3.571 9.328 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.377 3.479 7.559 1.00 0.00 H new ATOM 595 N LEU A 47 -3.120 2.851 7.096 1.00 0.00 N ATOM 596 CA LEU A 47 -4.559 2.692 6.913 1.00 0.00 C ATOM 597 C LEU A 47 -5.266 3.092 8.199 1.00 0.00 C ATOM 598 O LEU A 47 -5.045 2.476 9.233 1.00 0.00 O ATOM 599 CB LEU A 47 -4.898 1.230 6.678 1.00 0.00 C ATOM 600 CG LEU A 47 -6.361 0.828 6.936 1.00 0.00 C ATOM 601 CD1 LEU A 47 -7.240 0.961 5.703 1.00 0.00 C ATOM 602 CD2 LEU A 47 -6.380 -0.588 7.395 1.00 0.00 C ATOM 0 H LEU A 47 -2.622 1.975 7.255 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.868 3.305 6.066 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.650 0.981 5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.257 0.622 7.316 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.765 1.505 7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.259 0.663 5.949 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.237 1.997 5.364 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.855 0.319 4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.408 -0.895 7.584 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.947 -1.226 6.625 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.799 -0.681 8.312 1.00 0.00 H new ATOM 614 N TYR A 48 -6.116 4.087 8.174 1.00 0.00 N ATOM 615 CA TYR A 48 -6.813 4.434 9.403 1.00 0.00 C ATOM 616 C TYR A 48 -8.126 3.686 9.439 1.00 0.00 C ATOM 617 O TYR A 48 -9.105 4.125 8.851 1.00 0.00 O ATOM 618 CB TYR A 48 -7.080 5.936 9.535 1.00 0.00 C ATOM 619 CG TYR A 48 -5.844 6.766 9.664 1.00 0.00 C ATOM 620 CD1 TYR A 48 -4.817 6.527 8.820 1.00 0.00 C ATOM 621 CD2 TYR A 48 -5.711 7.784 10.600 1.00 0.00 C ATOM 622 CE1 TYR A 48 -3.679 7.241 8.858 1.00 0.00 C ATOM 623 CE2 TYR A 48 -4.545 8.530 10.660 1.00 0.00 C ATOM 624 CZ TYR A 48 -3.524 8.250 9.775 1.00 0.00 C ATOM 625 OH TYR A 48 -2.355 8.981 9.797 1.00 0.00 O ATOM 0 H TYR A 48 -6.342 4.655 7.357 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.172 4.153 10.238 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.641 6.272 8.663 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -7.712 6.107 10.406 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.913 5.736 8.091 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.520 7.995 11.284 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.882 7.019 8.163 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.437 9.319 11.389 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.406 9.658 10.504 1.00 0.00 H new ATOM 635 N THR A 49 -8.143 2.570 10.134 1.00 0.00 N ATOM 636 CA THR A 49 -9.321 1.724 10.184 1.00 0.00 C ATOM 637 C THR A 49 -10.482 2.411 10.876 1.00 0.00 C ATOM 638 O THR A 49 -10.325 3.496 11.442 1.00 0.00 O ATOM 639 CB THR A 49 -9.019 0.431 10.910 1.00 0.00 C ATOM 640 OG1 THR A 49 -8.049 0.686 11.923 1.00 0.00 O ATOM 641 CG2 THR A 49 -8.503 -0.608 9.951 1.00 0.00 C ATOM 0 H THR A 49 -7.351 2.224 10.676 1.00 0.00 H new ATOM 0 HA THR A 49 -9.602 1.516 9.152 1.00 0.00 H new ATOM 0 HB THR A 49 -9.935 0.050 11.362 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.036 1.644 12.130 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.292 -1.530 10.493 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.254 -0.801 9.185 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.589 -0.246 9.480 1.00 0.00 H new ATOM 649 N ARG A 50 -11.638 1.781 10.853 1.00 0.00 N ATOM 650 CA ARG A 50 -12.789 2.349 11.508 1.00 0.00 C ATOM 651 C ARG A 50 -12.596 2.340 13.017 1.00 0.00 C ATOM 652 O ARG A 50 -12.425 3.386 13.637 1.00 0.00 O ATOM 653 CB ARG A 50 -14.047 1.591 11.127 1.00 0.00 C ATOM 654 CG ARG A 50 -15.069 2.459 10.411 1.00 0.00 C ATOM 655 CD ARG A 50 -15.760 3.431 11.359 1.00 0.00 C ATOM 656 NE ARG A 50 -14.854 4.469 11.846 1.00 0.00 N ATOM 657 CZ ARG A 50 -15.090 5.232 12.908 1.00 0.00 C ATOM 658 NH1 ARG A 50 -16.267 5.191 13.523 1.00 0.00 N ATOM 659 NH2 ARG A 50 -14.147 6.059 13.338 1.00 0.00 N ATOM 0 H ARG A 50 -11.801 0.886 10.392 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.900 3.382 11.179 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.779 0.751 10.486 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.499 1.173 12.026 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.576 3.018 9.616 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.816 1.822 9.937 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.602 3.897 10.847 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -16.168 2.880 12.207 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.983 4.618 11.337 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -17.000 4.570 13.181 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.438 5.781 14.337 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.250 6.105 12.854 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.318 6.649 14.152 1.00 0.00 H new ATOM 673 N LYS A 51 -12.605 1.156 13.602 1.00 0.00 N ATOM 674 CA LYS A 51 -12.495 1.030 15.044 1.00 0.00 C ATOM 675 C LYS A 51 -11.232 0.287 15.484 1.00 0.00 C ATOM 676 O LYS A 51 -11.110 -0.092 16.646 1.00 0.00 O ATOM 677 CB LYS A 51 -13.741 0.351 15.572 1.00 0.00 C ATOM 678 CG LYS A 51 -15.007 1.103 15.194 1.00 0.00 C ATOM 679 CD LYS A 51 -15.193 2.365 15.989 1.00 0.00 C ATOM 680 CE LYS A 51 -15.273 2.069 17.453 1.00 0.00 C ATOM 681 NZ LYS A 51 -16.432 1.202 17.793 1.00 0.00 N ATOM 0 H LYS A 51 -12.687 0.270 13.103 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.408 2.031 15.466 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.793 -0.665 15.181 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.678 0.272 16.657 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.975 1.349 14.133 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.869 0.453 15.345 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.364 3.046 15.797 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.103 2.872 15.666 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.352 1.582 17.773 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -15.348 3.005 18.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.577 1.204 18.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -17.286 1.564 17.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.245 0.231 17.471 1.00 0.00 H new ATOM 695 N ARG A 52 -10.300 0.061 14.566 1.00 0.00 N ATOM 696 CA ARG A 52 -9.126 -0.749 14.885 1.00 0.00 C ATOM 697 C ARG A 52 -7.978 0.131 15.391 1.00 0.00 C ATOM 698 O ARG A 52 -7.440 -0.117 16.475 1.00 0.00 O ATOM 699 CB ARG A 52 -8.677 -1.456 13.605 1.00 0.00 C ATOM 700 CG ARG A 52 -7.943 -2.764 13.777 1.00 0.00 C ATOM 701 CD ARG A 52 -6.742 -2.627 14.671 1.00 0.00 C ATOM 702 NE ARG A 52 -6.304 -3.913 15.208 1.00 0.00 N ATOM 703 CZ ARG A 52 -5.775 -4.076 16.420 1.00 0.00 C ATOM 704 NH1 ARG A 52 -5.649 -3.041 17.241 1.00 0.00 N ATOM 705 NH2 ARG A 52 -5.384 -5.281 16.815 1.00 0.00 N ATOM 0 H ARG A 52 -10.330 0.419 13.611 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.384 -1.466 15.665 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.558 -1.638 12.989 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.034 -0.775 13.047 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.622 -3.508 14.195 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.627 -3.133 12.801 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.925 -2.172 14.112 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.979 -1.953 15.494 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.410 -4.738 14.618 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.958 -2.115 16.945 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.243 -3.172 18.168 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.489 -6.081 16.191 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.979 -5.407 17.743 1.00 0.00 H new ATOM 719 N ASP A 53 -7.672 1.179 14.610 1.00 0.00 N ATOM 720 CA ASP A 53 -6.582 2.123 14.871 1.00 0.00 C ATOM 721 C ASP A 53 -6.151 2.756 13.555 1.00 0.00 C ATOM 722 O ASP A 53 -6.914 2.845 12.596 1.00 0.00 O ATOM 723 CB ASP A 53 -5.403 1.379 15.451 1.00 0.00 C ATOM 724 CG ASP A 53 -4.410 2.248 16.210 1.00 0.00 C ATOM 725 OD1 ASP A 53 -3.452 2.762 15.592 1.00 0.00 O ATOM 726 OD2 ASP A 53 -4.571 2.402 17.440 1.00 0.00 O ATOM 0 H ASP A 53 -8.191 1.396 13.759 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.921 2.888 15.569 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.775 0.605 16.123 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.877 0.873 14.642 1.00 0.00 H new ATOM 731 N SER A 54 -4.930 3.192 13.544 1.00 0.00 N ATOM 732 CA SER A 54 -4.197 3.459 12.324 1.00 0.00 C ATOM 733 C SER A 54 -3.303 2.263 12.070 1.00 0.00 C ATOM 734 O SER A 54 -2.269 2.098 12.714 1.00 0.00 O ATOM 735 CB SER A 54 -3.352 4.723 12.428 1.00 0.00 C ATOM 736 OG SER A 54 -2.697 4.801 13.685 1.00 0.00 O ATOM 0 H SER A 54 -4.396 3.379 14.393 1.00 0.00 H new ATOM 0 HA SER A 54 -4.900 3.618 11.506 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.612 4.736 11.628 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.985 5.599 12.290 1.00 0.00 H new ATOM 0 HG SER A 54 -2.161 5.620 13.724 1.00 0.00 H new ATOM 742 N VAL A 55 -3.735 1.410 11.174 1.00 0.00 N ATOM 743 CA VAL A 55 -2.953 0.267 10.767 1.00 0.00 C ATOM 744 C VAL A 55 -1.897 0.754 9.804 1.00 0.00 C ATOM 745 O VAL A 55 -2.028 1.839 9.251 1.00 0.00 O ATOM 746 CB VAL A 55 -3.812 -0.783 10.070 1.00 0.00 C ATOM 747 CG1 VAL A 55 -3.085 -2.090 9.960 1.00 0.00 C ATOM 748 CG2 VAL A 55 -5.121 -0.982 10.788 1.00 0.00 C ATOM 0 H VAL A 55 -4.638 1.488 10.706 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.512 -0.196 11.650 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.021 -0.415 9.066 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.722 -2.819 9.459 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.170 -1.950 9.384 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.834 -2.452 10.957 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.711 -1.736 10.267 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.929 -1.312 11.809 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.671 -0.041 10.808 1.00 0.00 H new ATOM 758 N LYS A 56 -0.850 -0.005 9.607 1.00 0.00 N ATOM 759 CA LYS A 56 0.234 0.475 8.753 1.00 0.00 C ATOM 760 C LYS A 56 0.710 -0.625 7.819 1.00 0.00 C ATOM 761 O LYS A 56 0.759 -1.792 8.206 1.00 0.00 O ATOM 762 CB LYS A 56 1.471 0.957 9.518 1.00 0.00 C ATOM 763 CG LYS A 56 1.299 1.431 10.953 1.00 0.00 C ATOM 764 CD LYS A 56 0.214 2.453 11.187 1.00 0.00 C ATOM 765 CE LYS A 56 0.826 3.745 11.667 1.00 0.00 C ATOM 766 NZ LYS A 56 -0.086 4.530 12.532 1.00 0.00 N ATOM 0 H LYS A 56 -0.715 -0.933 10.008 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.199 1.319 8.216 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.196 0.143 9.523 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.914 1.775 8.950 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.094 0.563 11.579 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.246 1.852 11.292 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.343 2.624 10.266 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.497 2.080 11.925 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.741 3.525 12.217 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.110 4.349 10.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.423 5.366 12.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.899 3.941 12.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.423 4.835 13.386 1.00 0.00 H new ATOM 780 N TRP A 57 1.076 -0.257 6.602 1.00 0.00 N ATOM 781 CA TRP A 57 1.714 -1.195 5.700 1.00 0.00 C ATOM 782 C TRP A 57 3.034 -0.686 5.189 1.00 0.00 C ATOM 783 O TRP A 57 3.095 0.122 4.265 1.00 0.00 O ATOM 784 CB TRP A 57 0.803 -1.598 4.557 1.00 0.00 C ATOM 785 CG TRP A 57 -0.067 -2.718 4.994 1.00 0.00 C ATOM 786 CD1 TRP A 57 0.203 -4.045 4.880 1.00 0.00 C ATOM 787 CD2 TRP A 57 -1.311 -2.613 5.668 1.00 0.00 C ATOM 788 NE1 TRP A 57 -0.820 -4.780 5.425 1.00 0.00 N ATOM 789 CE2 TRP A 57 -1.764 -3.919 5.916 1.00 0.00 C ATOM 790 CE3 TRP A 57 -2.095 -1.538 6.072 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -2.966 -4.170 6.560 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -3.280 -1.794 6.708 1.00 0.00 C ATOM 793 CH2 TRP A 57 -3.707 -3.097 6.946 1.00 0.00 C ATOM 0 H TRP A 57 0.942 0.679 6.220 1.00 0.00 H new ATOM 0 HA TRP A 57 1.918 -2.091 6.287 1.00 0.00 H new ATOM 0 HB2 TRP A 57 0.194 -0.749 4.246 1.00 0.00 H new ATOM 0 HB3 TRP A 57 1.396 -1.899 3.693 1.00 0.00 H new ATOM 0 HD1 TRP A 57 1.091 -4.460 4.427 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.869 -5.798 5.459 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.776 -0.523 5.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.301 -5.179 6.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.896 -0.968 7.032 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.649 -3.260 7.449 1.00 0.00 H new ATOM 804 N HIS A 58 4.097 -1.161 5.810 1.00 0.00 N ATOM 805 CA HIS A 58 5.424 -0.810 5.379 1.00 0.00 C ATOM 806 C HIS A 58 5.681 -1.399 3.983 1.00 0.00 C ATOM 807 O HIS A 58 5.313 -2.531 3.687 1.00 0.00 O ATOM 808 CB HIS A 58 6.483 -1.293 6.378 1.00 0.00 C ATOM 809 CG HIS A 58 7.833 -0.724 6.089 1.00 0.00 C ATOM 810 ND1 HIS A 58 8.710 -1.300 5.203 1.00 0.00 N ATOM 811 CD2 HIS A 58 8.412 0.422 6.496 1.00 0.00 C ATOM 812 CE1 HIS A 58 9.765 -0.521 5.057 1.00 0.00 C ATOM 813 NE2 HIS A 58 9.613 0.527 5.839 1.00 0.00 N ATOM 0 H HIS A 58 4.061 -1.789 6.613 1.00 0.00 H new ATOM 0 HA HIS A 58 5.499 0.276 5.330 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.182 -1.014 7.388 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.536 -2.381 6.351 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.007 1.127 7.207 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.607 -0.710 4.408 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.279 1.293 5.940 1.00 0.00 H new ATOM 822 N TYR A 59 6.314 -0.594 3.146 1.00 0.00 N ATOM 823 CA TYR A 59 6.537 -0.887 1.732 1.00 0.00 C ATOM 824 C TYR A 59 7.346 -2.154 1.505 1.00 0.00 C ATOM 825 O TYR A 59 7.222 -2.802 0.472 1.00 0.00 O ATOM 826 CB TYR A 59 7.255 0.301 1.114 1.00 0.00 C ATOM 827 CG TYR A 59 6.329 1.385 0.664 1.00 0.00 C ATOM 828 CD1 TYR A 59 5.209 1.690 1.400 1.00 0.00 C ATOM 829 CD2 TYR A 59 6.562 2.078 -0.499 1.00 0.00 C ATOM 830 CE1 TYR A 59 4.333 2.664 0.997 1.00 0.00 C ATOM 831 CE2 TYR A 59 5.702 3.061 -0.916 1.00 0.00 C ATOM 832 CZ TYR A 59 4.590 3.352 -0.167 1.00 0.00 C ATOM 833 OH TYR A 59 3.742 4.334 -0.589 1.00 0.00 O ATOM 0 H TYR A 59 6.699 0.306 3.434 1.00 0.00 H new ATOM 0 HA TYR A 59 5.568 -1.057 1.264 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.956 0.711 1.841 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.843 -0.042 0.262 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.015 1.151 2.315 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.434 1.846 -1.092 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.455 2.888 1.584 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.899 3.603 -1.829 1.00 0.00 H new ATOM 0 HH TYR A 59 3.807 5.104 0.014 1.00 0.00 H new ATOM 843 N LEU A 60 8.152 -2.510 2.488 1.00 0.00 N ATOM 844 CA LEU A 60 8.970 -3.715 2.425 1.00 0.00 C ATOM 845 C LEU A 60 8.125 -4.932 2.744 1.00 0.00 C ATOM 846 O LEU A 60 8.632 -6.001 3.083 1.00 0.00 O ATOM 847 CB LEU A 60 10.150 -3.616 3.391 1.00 0.00 C ATOM 848 CG LEU A 60 11.497 -3.330 2.740 1.00 0.00 C ATOM 849 CD1 LEU A 60 11.965 -4.516 1.912 1.00 0.00 C ATOM 850 CD2 LEU A 60 11.406 -2.087 1.891 1.00 0.00 C ATOM 0 H LEU A 60 8.261 -1.977 3.351 1.00 0.00 H new ATOM 0 HA LEU A 60 9.365 -3.816 1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.940 -2.830 4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.224 -4.551 3.947 1.00 0.00 H new ATOM 0 HG LEU A 60 12.233 -3.164 3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.929 -4.285 1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.066 -5.391 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.236 -4.723 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.374 -1.890 1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.656 -2.231 1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.123 -1.240 2.516 1.00 0.00 H new ATOM 862 N CYS A 61 6.826 -4.748 2.670 1.00 0.00 N ATOM 863 CA CYS A 61 5.905 -5.806 2.972 1.00 0.00 C ATOM 864 C CYS A 61 4.878 -5.972 1.854 1.00 0.00 C ATOM 865 O CYS A 61 4.264 -7.033 1.726 1.00 0.00 O ATOM 866 CB CYS A 61 5.217 -5.510 4.302 1.00 0.00 C ATOM 867 SG CYS A 61 4.282 -6.894 4.974 1.00 0.00 S ATOM 0 H CYS A 61 6.387 -3.867 2.401 1.00 0.00 H new ATOM 0 HA CYS A 61 6.454 -6.744 3.053 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.971 -5.208 5.029 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.545 -4.662 4.170 1.00 0.00 H new ATOM 0 HG CYS A 61 3.739 -6.544 6.102 1.00 0.00 H new ATOM 873 N LEU A 62 4.714 -4.931 1.040 1.00 0.00 N ATOM 874 CA LEU A 62 3.750 -4.944 -0.054 1.00 0.00 C ATOM 875 C LEU A 62 4.196 -5.871 -1.186 1.00 0.00 C ATOM 876 O LEU A 62 4.750 -5.405 -2.173 1.00 0.00 O ATOM 877 CB LEU A 62 3.590 -3.539 -0.645 1.00 0.00 C ATOM 878 CG LEU A 62 2.826 -2.479 0.169 1.00 0.00 C ATOM 879 CD1 LEU A 62 1.774 -1.836 -0.705 1.00 0.00 C ATOM 880 CD2 LEU A 62 2.168 -3.047 1.412 1.00 0.00 C ATOM 0 H LEU A 62 5.242 -4.062 1.120 1.00 0.00 H new ATOM 0 HA LEU A 62 2.808 -5.299 0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.588 -3.148 -0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.090 -3.640 -1.608 1.00 0.00 H new ATOM 0 HG LEU A 62 3.558 -1.743 0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.232 -1.085 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.253 -1.361 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.077 -2.597 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.645 -2.251 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.456 -3.821 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.929 -3.478 2.062 1.00 0.00 H new ATOM 892 N ARG A 63 3.942 -7.168 -1.050 1.00 0.00 N ATOM 893 CA ARG A 63 4.216 -8.120 -2.125 1.00 0.00 C ATOM 894 C ARG A 63 3.565 -7.653 -3.415 1.00 0.00 C ATOM 895 O ARG A 63 4.253 -7.309 -4.370 1.00 0.00 O ATOM 896 CB ARG A 63 3.679 -9.513 -1.803 1.00 0.00 C ATOM 897 CG ARG A 63 4.536 -10.347 -0.875 1.00 0.00 C ATOM 898 CD ARG A 63 3.923 -11.726 -0.719 1.00 0.00 C ATOM 899 NE ARG A 63 4.799 -12.672 -0.040 1.00 0.00 N ATOM 900 CZ ARG A 63 4.479 -13.948 0.157 1.00 0.00 C ATOM 901 NH1 ARG A 63 3.320 -14.417 -0.296 1.00 0.00 N ATOM 902 NH2 ARG A 63 5.310 -14.752 0.804 1.00 0.00 N ATOM 0 H ARG A 63 3.547 -7.586 -0.207 1.00 0.00 H new ATOM 0 HA ARG A 63 5.299 -8.172 -2.233 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.690 -9.407 -1.358 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.551 -10.058 -2.738 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.547 -10.430 -1.274 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.616 -9.861 0.097 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.990 -11.641 -0.162 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.671 -12.118 -1.704 1.00 0.00 H new ATOM 0 HE ARG A 63 5.701 -12.340 0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.679 -13.799 -0.793 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.072 -15.395 -0.146 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.199 -14.393 1.153 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.061 -15.730 0.953 1.00 0.00 H new ATOM 916 N ARG A 64 2.234 -7.623 -3.430 1.00 0.00 N ATOM 917 CA ARG A 64 1.524 -7.239 -4.643 1.00 0.00 C ATOM 918 C ARG A 64 0.426 -6.218 -4.372 1.00 0.00 C ATOM 919 O ARG A 64 -0.533 -6.492 -3.676 1.00 0.00 O ATOM 920 CB ARG A 64 0.974 -8.479 -5.355 1.00 0.00 C ATOM 921 CG ARG A 64 -0.098 -9.271 -4.647 1.00 0.00 C ATOM 922 CD ARG A 64 -0.664 -10.319 -5.591 1.00 0.00 C ATOM 923 NE ARG A 64 0.374 -11.124 -6.249 1.00 0.00 N ATOM 924 CZ ARG A 64 0.458 -12.455 -6.164 1.00 0.00 C ATOM 925 NH1 ARG A 64 -0.306 -13.122 -5.310 1.00 0.00 N ATOM 926 NH2 ARG A 64 1.332 -13.118 -6.914 1.00 0.00 N ATOM 0 H ARG A 64 1.639 -7.854 -2.635 1.00 0.00 H new ATOM 0 HA ARG A 64 2.241 -6.751 -5.303 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.577 -8.164 -6.320 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.810 -9.149 -5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.316 -9.751 -3.760 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.892 -8.606 -4.308 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.329 -10.979 -5.034 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.269 -9.825 -6.352 1.00 0.00 H new ATOM 0 HE ARG A 64 1.075 -10.636 -6.806 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.963 -12.619 -4.713 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.237 -14.138 -5.250 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.941 -12.611 -7.556 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.394 -14.134 -6.847 1.00 0.00 H new ATOM 940 N TYR A 65 0.547 -5.061 -4.997 1.00 0.00 N ATOM 941 CA TYR A 65 -0.308 -3.919 -4.703 1.00 0.00 C ATOM 942 C TYR A 65 -0.942 -3.388 -5.965 1.00 0.00 C ATOM 943 O TYR A 65 -0.312 -3.363 -7.014 1.00 0.00 O ATOM 944 CB TYR A 65 0.492 -2.826 -3.996 1.00 0.00 C ATOM 945 CG TYR A 65 1.760 -2.423 -4.710 1.00 0.00 C ATOM 946 CD1 TYR A 65 2.856 -3.269 -4.750 1.00 0.00 C ATOM 947 CD2 TYR A 65 1.872 -1.187 -5.324 1.00 0.00 C ATOM 948 CE1 TYR A 65 4.015 -2.899 -5.393 1.00 0.00 C ATOM 949 CE2 TYR A 65 3.019 -0.812 -5.956 1.00 0.00 C ATOM 950 CZ TYR A 65 4.093 -1.666 -5.999 1.00 0.00 C ATOM 951 OH TYR A 65 5.246 -1.287 -6.649 1.00 0.00 O ATOM 0 H TYR A 65 1.240 -4.884 -5.724 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.107 -4.247 -4.037 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.141 -1.946 -3.880 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.747 -3.170 -2.993 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.800 -4.234 -4.269 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.033 -0.507 -5.301 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.859 -3.573 -5.422 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.084 0.159 -6.424 1.00 0.00 H new ATOM 0 HH TYR A 65 5.768 -0.694 -6.070 1.00 0.00 H new ATOM 961 N GLY A 66 -2.192 -2.965 -5.868 1.00 0.00 N ATOM 962 CA GLY A 66 -2.952 -2.724 -7.063 1.00 0.00 C ATOM 963 C GLY A 66 -4.023 -1.686 -6.942 1.00 0.00 C ATOM 964 O GLY A 66 -4.133 -0.966 -5.953 1.00 0.00 O ATOM 0 H GLY A 66 -2.684 -2.788 -4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.266 -2.424 -7.855 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.411 -3.661 -7.377 1.00 0.00 H new ATOM 968 N TYR A 67 -4.854 -1.716 -7.955 1.00 0.00 N ATOM 969 CA TYR A 67 -5.909 -0.756 -8.180 1.00 0.00 C ATOM 970 C TYR A 67 -6.892 -1.350 -9.172 1.00 0.00 C ATOM 971 O TYR A 67 -6.497 -1.813 -10.242 1.00 0.00 O ATOM 972 CB TYR A 67 -5.349 0.543 -8.771 1.00 0.00 C ATOM 973 CG TYR A 67 -6.297 1.193 -9.762 1.00 0.00 C ATOM 974 CD1 TYR A 67 -7.549 1.618 -9.358 1.00 0.00 C ATOM 975 CD2 TYR A 67 -5.950 1.363 -11.094 1.00 0.00 C ATOM 976 CE1 TYR A 67 -8.433 2.192 -10.240 1.00 0.00 C ATOM 977 CE2 TYR A 67 -6.831 1.942 -11.991 1.00 0.00 C ATOM 978 CZ TYR A 67 -8.072 2.353 -11.557 1.00 0.00 C ATOM 979 OH TYR A 67 -8.957 2.924 -12.444 1.00 0.00 O ATOM 0 H TYR A 67 -4.813 -2.438 -8.674 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.392 -0.531 -7.229 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.138 1.244 -7.963 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.401 0.333 -9.266 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.839 1.496 -8.325 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.978 1.039 -11.436 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.406 2.515 -9.900 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.547 2.071 -13.025 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.098 3.864 -12.206 1.00 0.00 H new ATOM 989 N ASP A 68 -8.144 -1.365 -8.803 1.00 0.00 N ATOM 990 CA ASP A 68 -9.211 -1.567 -9.745 1.00 0.00 C ATOM 991 C ASP A 68 -10.367 -0.689 -9.312 1.00 0.00 C ATOM 992 O ASP A 68 -10.210 -0.008 -8.318 1.00 0.00 O ATOM 993 CB ASP A 68 -9.590 -3.028 -9.877 1.00 0.00 C ATOM 994 CG ASP A 68 -10.537 -3.259 -11.057 1.00 0.00 C ATOM 995 OD1 ASP A 68 -11.776 -3.146 -10.901 1.00 0.00 O ATOM 996 OD2 ASP A 68 -10.035 -3.521 -12.172 1.00 0.00 O ATOM 0 H ASP A 68 -8.453 -1.237 -7.839 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.893 -1.280 -10.747 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.690 -3.628 -10.009 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.066 -3.366 -8.956 1.00 0.00 H new ATOM 1001 N SER A 69 -11.425 -0.591 -10.116 1.00 0.00 N ATOM 1002 CA SER A 69 -12.642 0.155 -9.790 1.00 0.00 C ATOM 1003 C SER A 69 -12.795 0.445 -8.286 1.00 0.00 C ATOM 1004 O SER A 69 -13.317 -0.384 -7.540 1.00 0.00 O ATOM 1005 CB SER A 69 -13.847 -0.642 -10.281 1.00 0.00 C ATOM 1006 OG SER A 69 -13.553 -1.274 -11.519 1.00 0.00 O ATOM 0 H SER A 69 -11.462 -1.037 -11.032 1.00 0.00 H new ATOM 0 HA SER A 69 -12.576 1.123 -10.287 1.00 0.00 H new ATOM 0 HB2 SER A 69 -14.122 -1.392 -9.539 1.00 0.00 H new ATOM 0 HB3 SER A 69 -14.705 0.020 -10.398 1.00 0.00 H new ATOM 0 HG SER A 69 -13.120 -2.137 -11.351 1.00 0.00 H new ATOM 1012 N ASN A 70 -12.313 1.629 -7.871 1.00 0.00 N ATOM 1013 CA ASN A 70 -12.269 2.055 -6.457 1.00 0.00 C ATOM 1014 C ASN A 70 -11.851 0.933 -5.495 1.00 0.00 C ATOM 1015 O ASN A 70 -12.357 0.828 -4.390 1.00 0.00 O ATOM 1016 CB ASN A 70 -13.578 2.688 -5.996 1.00 0.00 C ATOM 1017 CG ASN A 70 -14.803 1.801 -6.120 1.00 0.00 C ATOM 1018 OD1 ASN A 70 -15.130 1.031 -5.217 1.00 0.00 O ATOM 1019 ND2 ASN A 70 -15.517 1.944 -7.217 1.00 0.00 N ATOM 0 H ASN A 70 -11.938 2.327 -8.514 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.491 2.818 -6.421 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.471 2.988 -4.954 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.747 3.597 -6.574 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -16.375 1.406 -7.341 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.212 2.593 -7.943 1.00 0.00 H new ATOM 1026 N LEU A 71 -10.904 0.126 -5.919 1.00 0.00 N ATOM 1027 CA LEU A 71 -10.350 -0.942 -5.105 1.00 0.00 C ATOM 1028 C LEU A 71 -8.814 -0.854 -5.165 1.00 0.00 C ATOM 1029 O LEU A 71 -8.232 -1.104 -6.213 1.00 0.00 O ATOM 1030 CB LEU A 71 -10.804 -2.304 -5.685 1.00 0.00 C ATOM 1031 CG LEU A 71 -11.664 -3.224 -4.791 1.00 0.00 C ATOM 1032 CD1 LEU A 71 -11.371 -4.706 -4.999 1.00 0.00 C ATOM 1033 CD2 LEU A 71 -11.506 -2.905 -3.327 1.00 0.00 C ATOM 0 H LEU A 71 -10.490 0.191 -6.849 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.692 -0.850 -4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.365 -2.107 -6.599 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.911 -2.858 -5.973 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.691 -3.026 -5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.008 -5.298 -4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.571 -4.974 -6.036 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.325 -4.906 -4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.130 -3.578 -2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.463 -3.031 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.811 -1.875 -3.144 1.00 0.00 H new ATOM 1045 N PHE A 72 -8.153 -0.504 -4.069 1.00 0.00 N ATOM 1046 CA PHE A 72 -6.688 -0.509 -4.034 1.00 0.00 C ATOM 1047 C PHE A 72 -6.235 -1.651 -3.149 1.00 0.00 C ATOM 1048 O PHE A 72 -6.812 -1.883 -2.097 1.00 0.00 O ATOM 1049 CB PHE A 72 -6.098 0.839 -3.551 1.00 0.00 C ATOM 1050 CG PHE A 72 -5.061 0.739 -2.468 1.00 0.00 C ATOM 1051 CD1 PHE A 72 -5.440 0.734 -1.144 1.00 0.00 C ATOM 1052 CD2 PHE A 72 -3.703 0.661 -2.766 1.00 0.00 C ATOM 1053 CE1 PHE A 72 -4.491 0.658 -0.157 1.00 0.00 C ATOM 1054 CE2 PHE A 72 -2.772 0.589 -1.781 1.00 0.00 C ATOM 1055 CZ PHE A 72 -3.160 0.590 -0.488 1.00 0.00 C ATOM 0 H PHE A 72 -8.599 -0.215 -3.198 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.316 -0.648 -5.049 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.657 1.350 -4.407 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.914 1.465 -3.192 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.486 0.790 -0.883 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.385 0.658 -3.798 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.790 0.652 0.881 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.723 0.531 -2.031 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.417 0.537 0.294 1.00 0.00 H new ATOM 1065 N SER A 73 -5.226 -2.374 -3.568 1.00 0.00 N ATOM 1066 CA SER A 73 -4.830 -3.561 -2.845 1.00 0.00 C ATOM 1067 C SER A 73 -3.331 -3.617 -2.612 1.00 0.00 C ATOM 1068 O SER A 73 -2.574 -2.857 -3.208 1.00 0.00 O ATOM 1069 CB SER A 73 -5.283 -4.791 -3.618 1.00 0.00 C ATOM 1070 OG SER A 73 -4.816 -5.991 -3.030 1.00 0.00 O ATOM 0 H SER A 73 -4.668 -2.166 -4.396 1.00 0.00 H new ATOM 0 HA SER A 73 -5.307 -3.534 -1.865 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.372 -4.810 -3.663 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.923 -4.727 -4.645 1.00 0.00 H new ATOM 0 HG SER A 73 -5.158 -6.061 -2.114 1.00 0.00 H new ATOM 1076 N PHE A 74 -2.932 -4.508 -1.717 1.00 0.00 N ATOM 1077 CA PHE A 74 -1.541 -4.882 -1.532 1.00 0.00 C ATOM 1078 C PHE A 74 -1.470 -6.228 -0.789 1.00 0.00 C ATOM 1079 O PHE A 74 -2.256 -6.484 0.123 1.00 0.00 O ATOM 1080 CB PHE A 74 -0.753 -3.788 -0.811 1.00 0.00 C ATOM 1081 CG PHE A 74 -1.374 -3.247 0.437 1.00 0.00 C ATOM 1082 CD1 PHE A 74 -1.642 -4.084 1.500 1.00 0.00 C ATOM 1083 CD2 PHE A 74 -1.657 -1.891 0.563 1.00 0.00 C ATOM 1084 CE1 PHE A 74 -2.187 -3.598 2.656 1.00 0.00 C ATOM 1085 CE2 PHE A 74 -2.193 -1.404 1.734 1.00 0.00 C ATOM 1086 CZ PHE A 74 -2.459 -2.256 2.774 1.00 0.00 C ATOM 0 H PHE A 74 -3.574 -4.996 -1.092 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.073 -4.998 -2.509 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.232 -4.182 -0.562 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.600 -2.961 -1.505 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.418 -5.137 1.418 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.456 -1.219 -0.259 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.403 -4.268 3.475 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.404 -0.349 1.833 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.884 -1.872 3.689 1.00 0.00 H new ATOM 1096 N GLU A 75 -0.587 -7.117 -1.228 1.00 0.00 N ATOM 1097 CA GLU A 75 -0.380 -8.375 -0.536 1.00 0.00 C ATOM 1098 C GLU A 75 0.743 -8.220 0.458 1.00 0.00 C ATOM 1099 O GLU A 75 1.900 -8.208 0.072 1.00 0.00 O ATOM 1100 CB GLU A 75 -0.057 -9.522 -1.490 1.00 0.00 C ATOM 1101 CG GLU A 75 0.002 -10.873 -0.785 1.00 0.00 C ATOM 1102 CD GLU A 75 0.267 -12.036 -1.720 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -0.447 -12.170 -2.734 1.00 0.00 O ATOM 1104 OE2 GLU A 75 1.172 -12.845 -1.419 1.00 0.00 O ATOM 0 H GLU A 75 -0.007 -6.987 -2.057 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.312 -8.625 -0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.811 -9.559 -2.276 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.899 -9.328 -1.975 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.784 -10.843 -0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.941 -11.043 -0.265 1.00 0.00 H new ATOM 1111 N SER A 76 0.421 -8.078 1.723 1.00 0.00 N ATOM 1112 CA SER A 76 1.447 -7.877 2.723 1.00 0.00 C ATOM 1113 C SER A 76 1.957 -9.226 3.228 1.00 0.00 C ATOM 1114 O SER A 76 1.177 -10.085 3.640 1.00 0.00 O ATOM 1115 CB SER A 76 0.891 -7.016 3.855 1.00 0.00 C ATOM 1116 OG SER A 76 -0.180 -7.662 4.527 1.00 0.00 O ATOM 0 H SER A 76 -0.533 -8.097 2.083 1.00 0.00 H new ATOM 0 HA SER A 76 2.296 -7.351 2.286 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.686 -6.793 4.567 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.547 -6.063 3.453 1.00 0.00 H new ATOM 0 HG SER A 76 -0.094 -8.633 4.422 1.00 0.00 H new ATOM 1250 N ILE A 86 -3.311 -10.736 1.059 1.00 0.00 N ATOM 1251 CA ILE A 86 -3.882 -9.754 0.148 1.00 0.00 C ATOM 1252 C ILE A 86 -4.982 -8.989 0.858 1.00 0.00 C ATOM 1253 O ILE A 86 -6.074 -9.515 1.098 1.00 0.00 O ATOM 1254 CB ILE A 86 -4.447 -10.371 -1.142 1.00 0.00 C ATOM 1255 CG1 ILE A 86 -3.299 -10.939 -1.971 1.00 0.00 C ATOM 1256 CG2 ILE A 86 -5.211 -9.317 -1.924 1.00 0.00 C ATOM 1257 CD1 ILE A 86 -3.381 -10.675 -3.455 1.00 0.00 C ATOM 0 HA ILE A 86 -3.069 -9.091 -0.148 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.136 -11.179 -0.897 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.363 -10.525 -1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.257 -12.017 -1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.609 -9.759 -2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.032 -8.937 -1.316 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.540 -8.497 -2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.519 -11.120 -3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.296 -11.115 -3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.388 -9.600 -3.633 1.00 0.00 H new ATOM 1269 N PHE A 87 -4.682 -7.767 1.230 1.00 0.00 N ATOM 1270 CA PHE A 87 -5.654 -6.927 1.884 1.00 0.00 C ATOM 1271 C PHE A 87 -5.951 -5.748 0.991 1.00 0.00 C ATOM 1272 O PHE A 87 -5.148 -4.824 0.853 1.00 0.00 O ATOM 1273 CB PHE A 87 -5.132 -6.487 3.257 1.00 0.00 C ATOM 1274 CG PHE A 87 -6.166 -5.911 4.196 1.00 0.00 C ATOM 1275 CD1 PHE A 87 -7.527 -6.122 4.016 1.00 0.00 C ATOM 1276 CD2 PHE A 87 -5.755 -5.164 5.285 1.00 0.00 C ATOM 1277 CE1 PHE A 87 -8.448 -5.590 4.907 1.00 0.00 C ATOM 1278 CE2 PHE A 87 -6.667 -4.635 6.176 1.00 0.00 C ATOM 1279 CZ PHE A 87 -8.012 -4.845 5.990 1.00 0.00 C ATOM 0 H PHE A 87 -3.770 -7.333 1.090 1.00 0.00 H new ATOM 0 HA PHE A 87 -6.580 -7.477 2.054 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.667 -7.346 3.741 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.350 -5.743 3.107 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.871 -6.705 3.175 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.700 -4.991 5.441 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.504 -5.757 4.756 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.323 -4.056 7.020 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.727 -4.431 6.686 1.00 0.00 H new ATOM 1289 N ALA A 88 -7.093 -5.823 0.348 1.00 0.00 N ATOM 1290 CA ALA A 88 -7.512 -4.799 -0.565 1.00 0.00 C ATOM 1291 C ALA A 88 -8.510 -3.875 0.115 1.00 0.00 C ATOM 1292 O ALA A 88 -9.291 -4.293 0.974 1.00 0.00 O ATOM 1293 CB ALA A 88 -8.101 -5.425 -1.805 1.00 0.00 C ATOM 0 H ALA A 88 -7.752 -6.595 0.446 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.650 -4.203 -0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.417 -4.641 -2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.351 -6.051 -2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.961 -6.035 -1.531 1.00 0.00 H new ATOM 1299 N PHE A 89 -8.471 -2.617 -0.252 1.00 0.00 N ATOM 1300 CA PHE A 89 -9.377 -1.640 0.295 1.00 0.00 C ATOM 1301 C PHE A 89 -10.078 -0.968 -0.836 1.00 0.00 C ATOM 1302 O PHE A 89 -9.464 -0.599 -1.831 1.00 0.00 O ATOM 1303 CB PHE A 89 -8.668 -0.583 1.127 1.00 0.00 C ATOM 1304 CG PHE A 89 -7.618 -1.155 1.989 1.00 0.00 C ATOM 1305 CD1 PHE A 89 -6.382 -1.336 1.466 1.00 0.00 C ATOM 1306 CD2 PHE A 89 -7.862 -1.527 3.294 1.00 0.00 C ATOM 1307 CE1 PHE A 89 -5.382 -1.885 2.205 1.00 0.00 C ATOM 1308 CE2 PHE A 89 -6.860 -2.077 4.058 1.00 0.00 C ATOM 1309 CZ PHE A 89 -5.613 -2.261 3.508 1.00 0.00 C ATOM 0 H PHE A 89 -7.812 -2.244 -0.936 1.00 0.00 H new ATOM 0 HA PHE A 89 -10.073 -2.160 0.953 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.225 0.160 0.464 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.398 -0.062 1.746 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.188 -1.040 0.446 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.845 -1.386 3.718 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.404 -2.026 1.768 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.051 -2.362 5.082 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.819 -2.698 4.096 1.00 0.00 H new ATOM 1319 N LYS A 90 -11.350 -0.804 -0.680 1.00 0.00 N ATOM 1320 CA LYS A 90 -12.137 -0.156 -1.665 1.00 0.00 C ATOM 1321 C LYS A 90 -11.864 1.337 -1.580 1.00 0.00 C ATOM 1322 O LYS A 90 -12.542 2.077 -0.873 1.00 0.00 O ATOM 1323 CB LYS A 90 -13.580 -0.481 -1.418 1.00 0.00 C ATOM 1324 CG LYS A 90 -14.408 -0.605 -2.663 1.00 0.00 C ATOM 1325 CD LYS A 90 -15.639 -1.441 -2.428 1.00 0.00 C ATOM 1326 CE LYS A 90 -16.421 -0.913 -1.261 1.00 0.00 C ATOM 1327 NZ LYS A 90 -17.695 -1.661 -1.074 1.00 0.00 N ATOM 0 H LYS A 90 -11.871 -1.118 0.139 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.887 -0.495 -2.670 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.639 -1.417 -0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.011 0.294 -0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.701 0.387 -3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.809 -1.053 -3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.263 -1.439 -3.322 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.352 -2.476 -2.242 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.819 -0.986 -0.355 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.638 0.144 -1.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -18.341 -1.103 -0.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -18.136 -1.832 -2.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.498 -2.571 -0.611 1.00 0.00 H new ATOM 1341 N CYS A 91 -10.819 1.746 -2.268 1.00 0.00 N ATOM 1342 CA CYS A 91 -10.359 3.118 -2.232 1.00 0.00 C ATOM 1343 C CYS A 91 -10.828 3.823 -3.487 1.00 0.00 C ATOM 1344 O CYS A 91 -10.492 3.402 -4.588 1.00 0.00 O ATOM 1345 CB CYS A 91 -8.829 3.182 -2.155 1.00 0.00 C ATOM 1346 SG CYS A 91 -8.185 4.870 -2.173 1.00 0.00 S ATOM 0 H CYS A 91 -10.264 1.136 -2.868 1.00 0.00 H new ATOM 0 HA CYS A 91 -10.767 3.604 -1.346 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -8.496 2.683 -1.245 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.406 2.630 -2.994 1.00 0.00 H new ATOM 0 HG CYS A 91 -8.785 5.573 -1.259 1.00 0.00 H new ATOM 1352 N ALA A 92 -11.596 4.886 -3.352 1.00 0.00 N ATOM 1353 CA ALA A 92 -12.091 5.576 -4.528 1.00 0.00 C ATOM 1354 C ALA A 92 -10.963 6.308 -5.246 1.00 0.00 C ATOM 1355 O ALA A 92 -11.076 6.639 -6.426 1.00 0.00 O ATOM 1356 CB ALA A 92 -13.224 6.512 -4.187 1.00 0.00 C ATOM 0 H ALA A 92 -11.887 5.285 -2.459 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.489 4.824 -5.209 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.569 7.011 -5.093 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -14.046 5.945 -3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.877 7.258 -3.472 1.00 0.00 H new ATOM 1362 N ARG A 93 -9.879 6.568 -4.525 1.00 0.00 N ATOM 1363 CA ARG A 93 -8.629 6.991 -5.148 1.00 0.00 C ATOM 1364 C ARG A 93 -7.686 5.812 -5.230 1.00 0.00 C ATOM 1365 O ARG A 93 -6.504 5.972 -5.037 1.00 0.00 O ATOM 1366 CB ARG A 93 -7.936 8.131 -4.382 1.00 0.00 C ATOM 1367 CG ARG A 93 -8.329 9.523 -4.842 1.00 0.00 C ATOM 1368 CD ARG A 93 -9.828 9.649 -5.060 1.00 0.00 C ATOM 1369 NE ARG A 93 -10.189 10.920 -5.678 1.00 0.00 N ATOM 1370 CZ ARG A 93 -10.980 11.032 -6.745 1.00 0.00 C ATOM 1371 NH1 ARG A 93 -11.447 9.943 -7.345 1.00 0.00 N ATOM 1372 NH2 ARG A 93 -11.289 12.234 -7.215 1.00 0.00 N ATOM 0 H ARG A 93 -9.839 6.494 -3.508 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.877 7.366 -6.141 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -8.167 8.033 -3.321 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.857 8.018 -4.485 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.008 10.254 -4.100 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.807 9.759 -5.769 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.172 8.829 -5.691 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -10.342 9.553 -4.104 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.813 11.775 -5.269 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -11.200 9.019 -6.989 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.052 10.030 -8.161 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.921 13.070 -6.760 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.894 12.322 -8.031 1.00 0.00 H new ATOM 1386 N ALA A 94 -8.224 4.621 -5.468 1.00 0.00 N ATOM 1387 CA ALA A 94 -7.405 3.416 -5.609 1.00 0.00 C ATOM 1388 C ALA A 94 -6.293 3.641 -6.599 1.00 0.00 C ATOM 1389 O ALA A 94 -5.130 3.459 -6.296 1.00 0.00 O ATOM 1390 CB ALA A 94 -8.238 2.269 -6.126 1.00 0.00 C ATOM 0 H ALA A 94 -9.226 4.461 -5.568 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.999 3.185 -4.624 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.613 1.381 -6.225 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.050 2.065 -5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.653 2.531 -7.099 1.00 0.00 H new ATOM 1396 N GLU A 95 -6.705 3.991 -7.803 1.00 0.00 N ATOM 1397 CA GLU A 95 -5.788 4.324 -8.897 1.00 0.00 C ATOM 1398 C GLU A 95 -4.692 5.254 -8.422 1.00 0.00 C ATOM 1399 O GLU A 95 -3.507 4.942 -8.494 1.00 0.00 O ATOM 1400 CB GLU A 95 -6.563 4.979 -10.043 1.00 0.00 C ATOM 1401 CG GLU A 95 -7.819 5.713 -9.595 1.00 0.00 C ATOM 1402 CD GLU A 95 -8.574 6.329 -10.747 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -9.173 5.574 -11.541 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -8.580 7.572 -10.866 1.00 0.00 O ATOM 0 H GLU A 95 -7.690 4.055 -8.059 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.326 3.402 -9.249 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.907 5.681 -10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.840 4.212 -10.767 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.472 5.018 -9.067 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.545 6.494 -8.886 1.00 0.00 H new ATOM 1411 N GLU A 96 -5.132 6.390 -7.936 1.00 0.00 N ATOM 1412 CA GLU A 96 -4.273 7.404 -7.358 1.00 0.00 C ATOM 1413 C GLU A 96 -3.387 6.822 -6.267 1.00 0.00 C ATOM 1414 O GLU A 96 -2.173 6.984 -6.291 1.00 0.00 O ATOM 1415 CB GLU A 96 -5.181 8.472 -6.767 1.00 0.00 C ATOM 1416 CG GLU A 96 -4.494 9.743 -6.354 1.00 0.00 C ATOM 1417 CD GLU A 96 -3.773 10.437 -7.483 1.00 0.00 C ATOM 1418 OE1 GLU A 96 -2.581 10.156 -7.703 1.00 0.00 O ATOM 1419 OE2 GLU A 96 -4.402 11.285 -8.148 1.00 0.00 O ATOM 0 H GLU A 96 -6.120 6.644 -7.930 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.615 7.816 -8.124 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.951 8.716 -7.499 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.688 8.054 -5.898 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.233 10.425 -5.933 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.780 9.519 -5.562 1.00 0.00 H new ATOM 1426 N LEU A 97 -4.014 6.147 -5.320 1.00 0.00 N ATOM 1427 CA LEU A 97 -3.337 5.569 -4.195 1.00 0.00 C ATOM 1428 C LEU A 97 -2.317 4.552 -4.645 1.00 0.00 C ATOM 1429 O LEU A 97 -1.134 4.701 -4.386 1.00 0.00 O ATOM 1430 CB LEU A 97 -4.358 4.920 -3.282 1.00 0.00 C ATOM 1431 CG LEU A 97 -3.951 4.916 -1.831 1.00 0.00 C ATOM 1432 CD1 LEU A 97 -5.152 4.946 -0.957 1.00 0.00 C ATOM 1433 CD2 LEU A 97 -3.190 3.666 -1.533 1.00 0.00 C ATOM 0 H LEU A 97 -5.022 5.988 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.809 6.355 -3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.309 5.444 -3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.524 3.893 -3.607 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.336 5.796 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.842 4.943 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.728 5.848 -1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.768 4.069 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.895 3.661 -0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.819 2.800 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.300 3.624 -2.161 1.00 0.00 H new ATOM 1445 N PHE A 98 -2.779 3.526 -5.326 1.00 0.00 N ATOM 1446 CA PHE A 98 -1.899 2.507 -5.845 1.00 0.00 C ATOM 1447 C PHE A 98 -0.720 3.158 -6.562 1.00 0.00 C ATOM 1448 O PHE A 98 0.425 2.897 -6.228 1.00 0.00 O ATOM 1449 CB PHE A 98 -2.661 1.573 -6.791 1.00 0.00 C ATOM 1450 CG PHE A 98 -1.758 0.842 -7.722 1.00 0.00 C ATOM 1451 CD1 PHE A 98 -0.800 0.018 -7.205 1.00 0.00 C ATOM 1452 CD2 PHE A 98 -1.827 1.021 -9.094 1.00 0.00 C ATOM 1453 CE1 PHE A 98 0.095 -0.617 -8.016 1.00 0.00 C ATOM 1454 CE2 PHE A 98 -0.940 0.368 -9.925 1.00 0.00 C ATOM 1455 CZ PHE A 98 0.030 -0.449 -9.378 1.00 0.00 C ATOM 0 H PHE A 98 -3.767 3.377 -5.533 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.518 1.911 -5.016 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.232 0.853 -6.204 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -3.380 2.154 -7.369 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.750 -0.134 -6.137 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.578 1.674 -9.515 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.855 -1.252 -7.587 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.004 0.495 -10.996 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.736 -0.955 -10.020 1.00 0.00 H new ATOM 1465 N ASN A 99 -1.027 4.027 -7.519 1.00 0.00 N ATOM 1466 CA ASN A 99 -0.016 4.790 -8.265 1.00 0.00 C ATOM 1467 C ASN A 99 0.942 5.484 -7.336 1.00 0.00 C ATOM 1468 O ASN A 99 2.130 5.204 -7.371 1.00 0.00 O ATOM 1469 CB ASN A 99 -0.686 5.838 -9.159 1.00 0.00 C ATOM 1470 CG ASN A 99 0.147 6.172 -10.386 1.00 0.00 C ATOM 1471 OD1 ASN A 99 0.035 5.518 -11.423 1.00 0.00 O ATOM 1472 ND2 ASN A 99 0.978 7.196 -10.283 1.00 0.00 N ATOM 0 H ASN A 99 -1.985 4.227 -7.805 1.00 0.00 H new ATOM 0 HA ASN A 99 0.538 4.080 -8.879 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.662 5.471 -9.475 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.859 6.747 -8.582 1.00 0.00 H new ATOM 0 HD21 ASN A 99 1.554 7.468 -11.080 1.00 0.00 H new ATOM 0 HD22 ASN A 99 1.043 7.714 -9.407 1.00 0.00 H new ATOM 1479 N MET A 100 0.418 6.364 -6.506 1.00 0.00 N ATOM 1480 CA MET A 100 1.224 7.107 -5.556 1.00 0.00 C ATOM 1481 C MET A 100 2.114 6.141 -4.805 1.00 0.00 C ATOM 1482 O MET A 100 3.322 6.313 -4.759 1.00 0.00 O ATOM 1483 CB MET A 100 0.304 7.853 -4.602 1.00 0.00 C ATOM 1484 CG MET A 100 1.005 8.852 -3.709 1.00 0.00 C ATOM 1485 SD MET A 100 0.205 9.018 -2.120 1.00 0.00 S ATOM 1486 CE MET A 100 -1.445 9.355 -2.669 1.00 0.00 C ATOM 0 H MET A 100 -0.577 6.584 -6.471 1.00 0.00 H new ATOM 0 HA MET A 100 1.853 7.833 -6.071 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.456 8.375 -5.184 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.216 7.127 -3.976 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.039 8.542 -3.562 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.031 9.823 -4.204 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.103 9.454 -1.805 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.456 10.282 -3.242 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.794 8.536 -3.298 1.00 0.00 H new ATOM 1496 N LEU A 101 1.497 5.117 -4.247 1.00 0.00 N ATOM 1497 CA LEU A 101 2.212 3.988 -3.658 1.00 0.00 C ATOM 1498 C LEU A 101 3.357 3.491 -4.549 1.00 0.00 C ATOM 1499 O LEU A 101 4.505 3.515 -4.118 1.00 0.00 O ATOM 1500 CB LEU A 101 1.217 2.863 -3.362 1.00 0.00 C ATOM 1501 CG LEU A 101 1.787 1.467 -3.159 1.00 0.00 C ATOM 1502 CD1 LEU A 101 2.816 1.437 -2.055 1.00 0.00 C ATOM 1503 CD2 LEU A 101 0.658 0.515 -2.849 1.00 0.00 C ATOM 0 H LEU A 101 0.482 5.039 -4.186 1.00 0.00 H new ATOM 0 HA LEU A 101 2.673 4.324 -2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.658 3.133 -2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.502 2.820 -4.183 1.00 0.00 H new ATOM 0 HG LEU A 101 2.291 1.162 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.199 0.423 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.637 2.109 -2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.356 1.758 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.058 -0.488 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.148 0.839 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.049 0.506 -3.679 1.00 0.00 H new ATOM 1515 N GLN A 102 3.061 3.052 -5.781 1.00 0.00 N ATOM 1516 CA GLN A 102 4.112 2.523 -6.659 1.00 0.00 C ATOM 1517 C GLN A 102 5.196 3.583 -6.892 1.00 0.00 C ATOM 1518 O GLN A 102 6.382 3.270 -6.966 1.00 0.00 O ATOM 1519 CB GLN A 102 3.597 2.031 -8.022 1.00 0.00 C ATOM 1520 CG GLN A 102 2.131 2.017 -8.223 1.00 0.00 C ATOM 1521 CD GLN A 102 1.792 2.189 -9.689 1.00 0.00 C ATOM 1522 OE1 GLN A 102 0.742 2.706 -10.064 1.00 0.00 O ATOM 1523 NE2 GLN A 102 2.710 1.773 -10.529 1.00 0.00 N ATOM 0 H GLN A 102 2.124 3.052 -6.184 1.00 0.00 H new ATOM 0 HA GLN A 102 4.519 1.657 -6.138 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.039 2.657 -8.797 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.970 1.019 -8.179 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.717 1.078 -7.856 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.671 2.816 -7.642 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.568 1.349 -10.177 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.565 1.874 -11.534 1.00 0.00 H new ATOM 1532 N GLU A 103 4.773 4.839 -7.000 1.00 0.00 N ATOM 1533 CA GLU A 103 5.686 5.966 -7.195 1.00 0.00 C ATOM 1534 C GLU A 103 6.552 6.173 -5.973 1.00 0.00 C ATOM 1535 O GLU A 103 7.771 6.274 -6.077 1.00 0.00 O ATOM 1536 CB GLU A 103 4.900 7.241 -7.447 1.00 0.00 C ATOM 1537 CG GLU A 103 3.864 7.121 -8.541 1.00 0.00 C ATOM 1538 CD GLU A 103 4.462 7.212 -9.926 1.00 0.00 C ATOM 1539 OE1 GLU A 103 5.089 6.234 -10.376 1.00 0.00 O ATOM 1540 OE2 GLU A 103 4.305 8.269 -10.572 1.00 0.00 O ATOM 0 H GLU A 103 3.790 5.106 -6.955 1.00 0.00 H new ATOM 0 HA GLU A 103 6.316 5.737 -8.055 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.404 7.538 -6.523 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.596 8.039 -7.706 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.341 6.170 -8.438 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.120 7.908 -8.419 1.00 0.00 H new ATOM 1547 N ILE A 104 5.910 6.263 -4.818 1.00 0.00 N ATOM 1548 CA ILE A 104 6.620 6.360 -3.561 1.00 0.00 C ATOM 1549 C ILE A 104 7.613 5.208 -3.459 1.00 0.00 C ATOM 1550 O ILE A 104 8.757 5.393 -3.043 1.00 0.00 O ATOM 1551 CB ILE A 104 5.664 6.330 -2.350 1.00 0.00 C ATOM 1552 CG1 ILE A 104 4.850 7.614 -2.247 1.00 0.00 C ATOM 1553 CG2 ILE A 104 6.459 6.144 -1.087 1.00 0.00 C ATOM 1554 CD1 ILE A 104 3.379 7.387 -2.016 1.00 0.00 C ATOM 0 H ILE A 104 4.894 6.271 -4.730 1.00 0.00 H new ATOM 0 HA ILE A 104 7.141 7.317 -3.542 1.00 0.00 H new ATOM 0 HB ILE A 104 4.973 5.499 -2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.247 8.220 -1.432 1.00 0.00 H new ATOM 0 HG13 ILE A 104 4.979 8.189 -3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.784 6.123 -0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.009 5.204 -1.138 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.161 6.970 -0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.868 8.348 -1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.966 6.809 -2.843 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.237 6.840 -1.084 1.00 0.00 H new ATOM 1566 N MET A 105 7.165 4.032 -3.888 1.00 0.00 N ATOM 1567 CA MET A 105 8.005 2.847 -3.926 1.00 0.00 C ATOM 1568 C MET A 105 9.267 3.093 -4.746 1.00 0.00 C ATOM 1569 O MET A 105 10.373 2.732 -4.339 1.00 0.00 O ATOM 1570 CB MET A 105 7.244 1.660 -4.504 1.00 0.00 C ATOM 1571 CG MET A 105 6.204 1.099 -3.559 1.00 0.00 C ATOM 1572 SD MET A 105 6.000 -0.672 -3.748 1.00 0.00 S ATOM 1573 CE MET A 105 5.067 -1.031 -2.280 1.00 0.00 C ATOM 0 H MET A 105 6.212 3.877 -4.217 1.00 0.00 H new ATOM 0 HA MET A 105 8.293 2.619 -2.900 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.757 1.966 -5.430 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.953 0.873 -4.762 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.492 1.322 -2.532 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.249 1.594 -3.737 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.644 -1.695 -1.636 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.854 -0.104 -1.748 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.130 -1.515 -2.554 1.00 0.00 H new ATOM 1583 N GLN A 106 9.091 3.726 -5.898 1.00 0.00 N ATOM 1584 CA GLN A 106 10.189 4.019 -6.799 1.00 0.00 C ATOM 1585 C GLN A 106 11.113 5.079 -6.217 1.00 0.00 C ATOM 1586 O GLN A 106 12.332 4.923 -6.182 1.00 0.00 O ATOM 1587 CB GLN A 106 9.640 4.528 -8.116 1.00 0.00 C ATOM 1588 CG GLN A 106 8.762 3.533 -8.831 1.00 0.00 C ATOM 1589 CD GLN A 106 9.531 2.496 -9.632 1.00 0.00 C ATOM 1590 OE1 GLN A 106 10.754 2.200 -9.227 1.00 0.00 O flip ATOM 1591 NE2 GLN A 106 9.028 1.979 -10.630 1.00 0.00 N flip ATOM 0 H GLN A 106 8.183 4.049 -6.231 1.00 0.00 H new ATOM 0 HA GLN A 106 10.756 3.100 -6.948 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.069 5.438 -7.934 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.472 4.798 -8.766 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.138 3.022 -8.098 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.091 4.071 -9.501 1.00 0.00 H new ATOM 0 HE21 GLN A 106 8.081 2.232 -10.913 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.558 1.298 -11.174 1.00 0.00 H new ATOM 1600 N ASN A 107 10.493 6.143 -5.733 1.00 0.00 N ATOM 1601 CA ASN A 107 11.184 7.392 -5.453 1.00 0.00 C ATOM 1602 C ASN A 107 11.737 7.484 -4.032 1.00 0.00 C ATOM 1603 O ASN A 107 12.585 8.330 -3.758 1.00 0.00 O ATOM 1604 CB ASN A 107 10.231 8.554 -5.715 1.00 0.00 C ATOM 1605 CG ASN A 107 9.960 8.784 -7.191 1.00 0.00 C ATOM 1606 OD1 ASN A 107 10.680 9.522 -7.862 1.00 0.00 O ATOM 1607 ND2 ASN A 107 8.902 8.165 -7.700 1.00 0.00 N ATOM 0 H ASN A 107 9.495 6.165 -5.523 1.00 0.00 H new ATOM 0 HA ASN A 107 12.048 7.435 -6.116 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.287 8.364 -5.204 1.00 0.00 H new ATOM 0 HB3 ASN A 107 10.649 9.463 -5.283 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.660 8.293 -8.683 1.00 0.00 H new ATOM 0 HD22 ASN A 107 8.331 7.561 -7.109 1.00 0.00 H new ATOM 1614 N ASN A 108 11.273 6.635 -3.122 1.00 0.00 N ATOM 1615 CA ASN A 108 11.723 6.717 -1.732 1.00 0.00 C ATOM 1616 C ASN A 108 12.772 5.673 -1.429 1.00 0.00 C ATOM 1617 O ASN A 108 13.529 5.812 -0.466 1.00 0.00 O ATOM 1618 CB ASN A 108 10.563 6.581 -0.743 1.00 0.00 C ATOM 1619 CG ASN A 108 9.749 7.857 -0.652 1.00 0.00 C ATOM 1620 OD1 ASN A 108 9.994 8.701 0.208 1.00 0.00 O ATOM 1621 ND2 ASN A 108 8.799 8.019 -1.552 1.00 0.00 N ATOM 0 H ASN A 108 10.598 5.894 -3.313 1.00 0.00 H new ATOM 0 HA ASN A 108 12.162 7.707 -1.610 1.00 0.00 H new ATOM 0 HB2 ASN A 108 9.917 5.759 -1.051 1.00 0.00 H new ATOM 0 HB3 ASN A 108 10.953 6.328 0.243 1.00 0.00 H new ATOM 0 HD21 ASN A 108 8.235 8.869 -1.551 1.00 0.00 H new ATOM 0 HD22 ASN A 108 8.628 7.294 -2.249 1.00 0.00 H new ATOM 1628 N SER A 109 12.785 4.616 -2.238 1.00 0.00 N ATOM 1629 CA SER A 109 13.681 3.464 -2.044 1.00 0.00 C ATOM 1630 C SER A 109 13.229 2.649 -0.828 1.00 0.00 C ATOM 1631 O SER A 109 13.358 1.425 -0.798 1.00 0.00 O ATOM 1632 CB SER A 109 15.135 3.921 -1.884 1.00 0.00 C ATOM 1633 OG SER A 109 15.493 4.827 -2.914 1.00 0.00 O ATOM 0 H SER A 109 12.175 4.528 -3.051 1.00 0.00 H new ATOM 0 HA SER A 109 13.629 2.830 -2.929 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.267 4.397 -0.912 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.798 3.056 -1.907 1.00 0.00 H new ATOM 0 HG SER A 109 16.424 5.108 -2.793 1.00 0.00 H new ATOM 1639 N ILE A 110 12.675 3.357 0.151 1.00 0.00 N ATOM 1640 CA ILE A 110 12.028 2.771 1.304 1.00 0.00 C ATOM 1641 C ILE A 110 13.016 2.135 2.266 1.00 0.00 C ATOM 1642 O ILE A 110 13.304 0.939 2.218 1.00 0.00 O ATOM 1643 CB ILE A 110 10.904 1.795 0.921 1.00 0.00 C ATOM 1644 CG1 ILE A 110 9.744 2.552 0.292 1.00 0.00 C ATOM 1645 CG2 ILE A 110 10.416 1.059 2.137 1.00 0.00 C ATOM 1646 CD1 ILE A 110 10.003 3.128 -1.074 1.00 0.00 C ATOM 0 H ILE A 110 12.667 4.377 0.158 1.00 0.00 H new ATOM 0 HA ILE A 110 11.559 3.601 1.832 1.00 0.00 H new ATOM 0 HB ILE A 110 11.301 1.078 0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.889 1.879 0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.460 3.365 0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.620 0.371 1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 110 11.240 0.498 2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.033 1.774 2.866 1.00 0.00 H new ATOM 0 HD11 ILE A 110 9.110 3.645 -1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.833 3.832 -1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 110 10.253 2.324 -1.766 1.00 0.00 H new ATOM 1884 N ALA B 496 -3.986 -10.106 -9.650 1.00 0.00 N ATOM 1885 CA ALA B 496 -5.267 -9.471 -9.477 1.00 0.00 C ATOM 1886 C ALA B 496 -5.971 -10.097 -8.304 1.00 0.00 C ATOM 1887 O ALA B 496 -6.202 -11.304 -8.257 1.00 0.00 O ATOM 1888 CB ALA B 496 -6.122 -9.503 -10.721 1.00 0.00 C ATOM 0 HA ALA B 496 -5.093 -8.413 -9.279 1.00 0.00 H new ATOM 0 HB1 ALA B 496 -7.073 -9.008 -10.522 1.00 0.00 H new ATOM 0 HB2 ALA B 496 -5.606 -8.986 -11.530 1.00 0.00 H new ATOM 0 HB3 ALA B 496 -6.305 -10.538 -11.010 1.00 0.00 H new ATOM 1894 N VAL B 497 -6.195 -9.267 -7.314 1.00 0.00 N ATOM 1895 CA VAL B 497 -6.931 -9.661 -6.127 1.00 0.00 C ATOM 1896 C VAL B 497 -8.392 -9.469 -6.398 1.00 0.00 C ATOM 1897 O VAL B 497 -8.853 -8.365 -6.651 1.00 0.00 O ATOM 1898 CB VAL B 497 -6.488 -8.855 -4.860 1.00 0.00 C ATOM 1899 CG1 VAL B 497 -5.270 -8.038 -5.173 1.00 0.00 C ATOM 1900 CG2 VAL B 497 -7.588 -7.943 -4.319 1.00 0.00 C ATOM 0 H VAL B 497 -5.874 -8.299 -7.304 1.00 0.00 H new ATOM 0 HA VAL B 497 -6.719 -10.708 -5.910 1.00 0.00 H new ATOM 0 HB VAL B 497 -6.265 -9.588 -4.084 1.00 0.00 H new ATOM 0 HG11 VAL B 497 -4.968 -7.480 -4.286 1.00 0.00 H new ATOM 0 HG12 VAL B 497 -4.459 -8.698 -5.480 1.00 0.00 H new ATOM 0 HG13 VAL B 497 -5.497 -7.341 -5.980 1.00 0.00 H new ATOM 0 HG21 VAL B 497 -7.221 -7.411 -3.441 1.00 0.00 H new ATOM 0 HG22 VAL B 497 -7.874 -7.223 -5.086 1.00 0.00 H new ATOM 0 HG23 VAL B 497 -8.455 -8.543 -4.043 1.00 0.00 H new ATOM 1910 N ILE B 498 -9.144 -10.524 -6.423 1.00 0.00 N ATOM 1911 CA ILE B 498 -10.504 -10.329 -6.788 1.00 0.00 C ATOM 1912 C ILE B 498 -11.300 -10.192 -5.528 1.00 0.00 C ATOM 1913 O ILE B 498 -11.907 -11.149 -5.043 1.00 0.00 O ATOM 1914 CB ILE B 498 -11.131 -11.394 -7.704 1.00 0.00 C ATOM 1915 CG1 ILE B 498 -10.279 -11.787 -8.934 1.00 0.00 C ATOM 1916 CG2 ILE B 498 -12.478 -10.872 -8.189 1.00 0.00 C ATOM 1917 CD1 ILE B 498 -8.931 -11.145 -9.061 1.00 0.00 C ATOM 0 H ILE B 498 -8.858 -11.479 -6.207 1.00 0.00 H new ATOM 0 HA ILE B 498 -10.525 -9.429 -7.402 1.00 0.00 H new ATOM 0 HB ILE B 498 -11.217 -12.300 -7.103 1.00 0.00 H new ATOM 0 HG12 ILE B 498 -10.139 -12.868 -8.918 1.00 0.00 H new ATOM 0 HG13 ILE B 498 -10.852 -11.553 -9.831 1.00 0.00 H new ATOM 0 HG21 ILE B 498 -12.942 -11.612 -8.841 1.00 0.00 H new ATOM 0 HG22 ILE B 498 -13.126 -10.687 -7.332 1.00 0.00 H new ATOM 0 HG23 ILE B 498 -12.331 -9.943 -8.741 1.00 0.00 H new ATOM 0 HD11 ILE B 498 -8.440 -11.506 -9.964 1.00 0.00 H new ATOM 0 HD12 ILE B 498 -9.047 -10.063 -9.119 1.00 0.00 H new ATOM 0 HD13 ILE B 498 -8.324 -11.398 -8.192 1.00 0.00 H new ATOM 1929 N ILE B 499 -11.271 -8.998 -4.967 1.00 0.00 N ATOM 1930 CA ILE B 499 -11.906 -8.798 -3.702 1.00 0.00 C ATOM 1931 C ILE B 499 -13.380 -8.521 -3.953 1.00 0.00 C ATOM 1932 O ILE B 499 -13.801 -7.381 -4.166 1.00 0.00 O ATOM 1933 CB ILE B 499 -11.200 -7.686 -2.867 1.00 0.00 C ATOM 1934 CG1 ILE B 499 -9.995 -8.248 -2.096 1.00 0.00 C ATOM 1935 CG2 ILE B 499 -12.156 -7.007 -1.911 1.00 0.00 C ATOM 1936 CD1 ILE B 499 -10.078 -9.724 -1.774 1.00 0.00 C ATOM 0 H ILE B 499 -10.821 -8.174 -5.366 1.00 0.00 H new ATOM 0 HA ILE B 499 -11.820 -9.696 -3.090 1.00 0.00 H new ATOM 0 HB ILE B 499 -10.844 -6.939 -3.576 1.00 0.00 H new ATOM 0 HG12 ILE B 499 -9.092 -8.068 -2.680 1.00 0.00 H new ATOM 0 HG13 ILE B 499 -9.887 -7.693 -1.164 1.00 0.00 H new ATOM 0 HG21 ILE B 499 -11.624 -6.239 -1.349 1.00 0.00 H new ATOM 0 HG22 ILE B 499 -12.968 -6.547 -2.474 1.00 0.00 H new ATOM 0 HG23 ILE B 499 -12.565 -7.745 -1.220 1.00 0.00 H new ATOM 0 HD11 ILE B 499 -9.184 -10.029 -1.230 1.00 0.00 H new ATOM 0 HD12 ILE B 499 -10.959 -9.914 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE B 499 -10.151 -10.295 -2.700 1.00 0.00 H new ATOM 1948 N GLY B 500 -14.132 -9.626 -3.980 1.00 0.00 N ATOM 1949 CA GLY B 500 -15.571 -9.610 -4.186 1.00 0.00 C ATOM 1950 C GLY B 500 -16.027 -8.659 -5.267 1.00 0.00 C ATOM 1951 O GLY B 500 -16.056 -9.012 -6.447 1.00 0.00 O ATOM 0 H GLY B 500 -13.748 -10.563 -3.857 1.00 0.00 H new ATOM 0 HA2 GLY B 500 -15.903 -10.617 -4.439 1.00 0.00 H new ATOM 0 HA3 GLY B 500 -16.059 -9.340 -3.249 1.00 0.00 H new ATOM 1955 N MET B 501 -16.382 -7.452 -4.837 1.00 0.00 N ATOM 1956 CA MET B 501 -16.840 -6.399 -5.704 1.00 0.00 C ATOM 1957 C MET B 501 -15.950 -6.239 -6.928 1.00 0.00 C ATOM 1958 O MET B 501 -16.447 -6.109 -8.043 1.00 0.00 O ATOM 1959 CB MET B 501 -16.859 -5.090 -4.925 1.00 0.00 C ATOM 1960 CG MET B 501 -17.689 -4.036 -5.592 1.00 0.00 C ATOM 1961 SD MET B 501 -17.293 -2.360 -5.068 1.00 0.00 S ATOM 1962 CE MET B 501 -15.679 -2.150 -5.817 1.00 0.00 C ATOM 0 H MET B 501 -16.355 -7.184 -3.853 1.00 0.00 H new ATOM 0 HA MET B 501 -17.840 -6.660 -6.051 1.00 0.00 H new ATOM 0 HB2 MET B 501 -17.247 -5.273 -3.923 1.00 0.00 H new ATOM 0 HB3 MET B 501 -15.838 -4.725 -4.810 1.00 0.00 H new ATOM 0 HG2 MET B 501 -17.555 -4.110 -6.671 1.00 0.00 H new ATOM 0 HG3 MET B 501 -18.741 -4.232 -5.387 1.00 0.00 H new ATOM 0 HE1 MET B 501 -14.912 -2.184 -5.043 1.00 0.00 H new ATOM 0 HE2 MET B 501 -15.505 -2.950 -6.536 1.00 0.00 H new ATOM 0 HE3 MET B 501 -15.637 -1.188 -6.328 1.00 0.00 H new ATOM 1972 N THR B 502 -14.638 -6.251 -6.728 1.00 0.00 N ATOM 1973 CA THR B 502 -13.739 -5.909 -7.814 1.00 0.00 C ATOM 1974 C THR B 502 -12.437 -6.708 -7.823 1.00 0.00 C ATOM 1975 O THR B 502 -11.884 -7.048 -6.780 1.00 0.00 O ATOM 1976 CB THR B 502 -13.465 -4.394 -7.775 1.00 0.00 C ATOM 1977 OG1 THR B 502 -14.440 -3.691 -8.555 1.00 0.00 O ATOM 1978 CG2 THR B 502 -12.092 -4.049 -8.270 1.00 0.00 C ATOM 0 H THR B 502 -14.185 -6.488 -5.846 1.00 0.00 H new ATOM 0 HA THR B 502 -14.236 -6.182 -8.745 1.00 0.00 H new ATOM 0 HB THR B 502 -13.531 -4.089 -6.731 1.00 0.00 H new ATOM 0 HG1 THR B 502 -15.264 -4.219 -8.602 1.00 0.00 H new ATOM 0 HG21 THR B 502 -11.949 -2.970 -8.222 1.00 0.00 H new ATOM 0 HG22 THR B 502 -11.346 -4.542 -7.647 1.00 0.00 H new ATOM 0 HG23 THR B 502 -11.982 -4.384 -9.301 1.00 0.00 H new ATOM 1986 N LYS B 503 -11.987 -7.032 -9.033 1.00 0.00 N ATOM 1987 CA LYS B 503 -10.704 -7.659 -9.241 1.00 0.00 C ATOM 1988 C LYS B 503 -9.589 -6.634 -9.379 1.00 0.00 C ATOM 1989 O LYS B 503 -9.575 -5.854 -10.317 1.00 0.00 O ATOM 1990 CB LYS B 503 -10.768 -8.556 -10.471 1.00 0.00 C ATOM 1991 CG LYS B 503 -9.469 -8.640 -11.249 1.00 0.00 C ATOM 1992 CD LYS B 503 -9.384 -9.901 -12.084 1.00 0.00 C ATOM 1993 CE LYS B 503 -10.738 -10.316 -12.633 1.00 0.00 C ATOM 1994 NZ LYS B 503 -10.636 -11.504 -13.522 1.00 0.00 N ATOM 0 H LYS B 503 -12.510 -6.863 -9.892 1.00 0.00 H new ATOM 0 HA LYS B 503 -10.474 -8.264 -8.364 1.00 0.00 H new ATOM 0 HB2 LYS B 503 -11.057 -9.560 -10.160 1.00 0.00 H new ATOM 0 HB3 LYS B 503 -11.552 -8.189 -11.134 1.00 0.00 H new ATOM 0 HG2 LYS B 503 -9.379 -7.769 -11.898 1.00 0.00 H new ATOM 0 HG3 LYS B 503 -8.629 -8.608 -10.555 1.00 0.00 H new ATOM 0 HD2 LYS B 503 -8.692 -9.742 -12.911 1.00 0.00 H new ATOM 0 HD3 LYS B 503 -8.976 -10.710 -11.478 1.00 0.00 H new ATOM 0 HE2 LYS B 503 -11.412 -10.538 -11.806 1.00 0.00 H new ATOM 0 HE3 LYS B 503 -11.175 -9.485 -13.186 1.00 0.00 H new ATOM 0 HZ1 LYS B 503 -11.581 -11.755 -13.876 1.00 0.00 H new ATOM 0 HZ2 LYS B 503 -10.013 -11.284 -14.325 1.00 0.00 H new ATOM 0 HZ3 LYS B 503 -10.242 -12.305 -12.988 1.00 0.00 H new ATOM 2008 N ILE B 504 -8.642 -6.675 -8.453 1.00 0.00 N ATOM 2009 CA ILE B 504 -7.575 -5.709 -8.394 1.00 0.00 C ATOM 2010 C ILE B 504 -6.320 -6.213 -9.038 1.00 0.00 C ATOM 2011 O ILE B 504 -5.572 -6.968 -8.437 1.00 0.00 O ATOM 2012 CB ILE B 504 -7.214 -5.350 -6.963 1.00 0.00 C ATOM 2013 CG1 ILE B 504 -8.449 -4.928 -6.220 1.00 0.00 C ATOM 2014 CG2 ILE B 504 -6.219 -4.223 -6.969 1.00 0.00 C ATOM 2015 CD1 ILE B 504 -8.141 -4.172 -4.963 1.00 0.00 C ATOM 0 H ILE B 504 -8.599 -7.385 -7.722 1.00 0.00 H new ATOM 0 HA ILE B 504 -7.954 -4.837 -8.927 1.00 0.00 H new ATOM 0 HB ILE B 504 -6.778 -6.219 -6.469 1.00 0.00 H new ATOM 0 HG12 ILE B 504 -9.064 -4.307 -6.871 1.00 0.00 H new ATOM 0 HG13 ILE B 504 -9.038 -5.811 -5.972 1.00 0.00 H new ATOM 0 HG21 ILE B 504 -5.958 -3.963 -5.943 1.00 0.00 H new ATOM 0 HG22 ILE B 504 -5.322 -4.533 -7.505 1.00 0.00 H new ATOM 0 HG23 ILE B 504 -6.655 -3.355 -7.464 1.00 0.00 H new ATOM 0 HD11 ILE B 504 -9.072 -3.893 -4.469 1.00 0.00 H new ATOM 0 HD12 ILE B 504 -7.550 -4.800 -4.296 1.00 0.00 H new ATOM 0 HD13 ILE B 504 -7.577 -3.272 -5.209 1.00 0.00 H new ATOM 2027 N PRO B 505 -6.033 -5.734 -10.224 1.00 0.00 N ATOM 2028 CA PRO B 505 -4.839 -6.104 -10.935 1.00 0.00 C ATOM 2029 C PRO B 505 -3.653 -5.384 -10.315 1.00 0.00 C ATOM 2030 O PRO B 505 -3.429 -4.189 -10.536 1.00 0.00 O ATOM 2031 CB PRO B 505 -5.152 -5.645 -12.353 1.00 0.00 C ATOM 2032 CG PRO B 505 -6.031 -4.462 -12.174 1.00 0.00 C ATOM 2033 CD PRO B 505 -6.816 -4.724 -10.930 1.00 0.00 C ATOM 0 HA PRO B 505 -4.577 -7.162 -10.906 1.00 0.00 H new ATOM 0 HB2 PRO B 505 -4.243 -5.386 -12.896 1.00 0.00 H new ATOM 0 HB3 PRO B 505 -5.652 -6.428 -12.923 1.00 0.00 H new ATOM 0 HG2 PRO B 505 -5.444 -3.549 -12.081 1.00 0.00 H new ATOM 0 HG3 PRO B 505 -6.690 -4.331 -13.032 1.00 0.00 H new ATOM 0 HD2 PRO B 505 -6.931 -3.819 -10.333 1.00 0.00 H new ATOM 0 HD3 PRO B 505 -7.819 -5.085 -11.159 1.00 0.00 H new ATOM 2041 N VAL B 506 -2.965 -6.093 -9.442 1.00 0.00 N ATOM 2042 CA VAL B 506 -1.873 -5.509 -8.695 1.00 0.00 C ATOM 2043 C VAL B 506 -0.525 -5.738 -9.373 1.00 0.00 C ATOM 2044 O VAL B 506 -0.408 -6.478 -10.354 1.00 0.00 O ATOM 2045 CB VAL B 506 -1.814 -6.100 -7.280 1.00 0.00 C ATOM 2046 CG1 VAL B 506 -3.140 -5.963 -6.558 1.00 0.00 C ATOM 2047 CG2 VAL B 506 -1.435 -7.536 -7.345 1.00 0.00 C ATOM 0 H VAL B 506 -3.144 -7.075 -9.234 1.00 0.00 H new ATOM 0 HA VAL B 506 -2.063 -4.437 -8.651 1.00 0.00 H new ATOM 0 HB VAL B 506 -1.063 -5.541 -6.722 1.00 0.00 H new ATOM 0 HG11 VAL B 506 -3.057 -6.393 -5.560 1.00 0.00 H new ATOM 0 HG12 VAL B 506 -3.403 -4.908 -6.478 1.00 0.00 H new ATOM 0 HG13 VAL B 506 -3.914 -6.489 -7.117 1.00 0.00 H new ATOM 0 HG21 VAL B 506 -1.395 -7.948 -6.337 1.00 0.00 H new ATOM 0 HG22 VAL B 506 -2.175 -8.081 -7.931 1.00 0.00 H new ATOM 0 HG23 VAL B 506 -0.456 -7.633 -7.815 1.00 0.00 H new ATOM 2057 N ILE B 507 0.480 -5.084 -8.821 1.00 0.00 N ATOM 2058 CA ILE B 507 1.855 -5.186 -9.271 1.00 0.00 C ATOM 2059 C ILE B 507 2.728 -5.493 -8.062 1.00 0.00 C ATOM 2060 O ILE B 507 2.297 -5.287 -6.933 1.00 0.00 O ATOM 2061 CB ILE B 507 2.311 -3.874 -9.935 1.00 0.00 C ATOM 2062 CG1 ILE B 507 2.557 -2.825 -8.888 1.00 0.00 C ATOM 2063 CG2 ILE B 507 1.228 -3.364 -10.859 1.00 0.00 C ATOM 2064 CD1 ILE B 507 3.157 -1.545 -9.415 1.00 0.00 C ATOM 0 H ILE B 507 0.360 -4.453 -8.029 1.00 0.00 H new ATOM 0 HA ILE B 507 1.941 -5.980 -10.013 1.00 0.00 H new ATOM 0 HB ILE B 507 3.226 -4.072 -10.493 1.00 0.00 H new ATOM 0 HG12 ILE B 507 1.613 -2.593 -8.395 1.00 0.00 H new ATOM 0 HG13 ILE B 507 3.221 -3.237 -8.128 1.00 0.00 H new ATOM 0 HG21 ILE B 507 1.556 -2.435 -11.326 1.00 0.00 H new ATOM 0 HG22 ILE B 507 1.028 -4.108 -11.631 1.00 0.00 H new ATOM 0 HG23 ILE B 507 0.318 -3.181 -10.287 1.00 0.00 H new ATOM 0 HD11 ILE B 507 3.301 -0.845 -8.592 1.00 0.00 H new ATOM 0 HD12 ILE B 507 4.119 -1.759 -9.881 1.00 0.00 H new ATOM 0 HD13 ILE B 507 2.486 -1.105 -10.153 1.00 0.00 H new ATOM 2076 N GLU B 508 3.930 -5.994 -8.271 1.00 0.00 N ATOM 2077 CA GLU B 508 4.775 -6.367 -7.145 1.00 0.00 C ATOM 2078 C GLU B 508 5.854 -5.317 -6.891 1.00 0.00 C ATOM 2079 O GLU B 508 6.311 -4.639 -7.810 1.00 0.00 O ATOM 2080 CB GLU B 508 5.367 -7.756 -7.367 1.00 0.00 C ATOM 2081 CG GLU B 508 4.300 -8.835 -7.423 1.00 0.00 C ATOM 2082 CD GLU B 508 4.867 -10.216 -7.650 1.00 0.00 C ATOM 2083 OE1 GLU B 508 5.239 -10.888 -6.667 1.00 0.00 O ATOM 2084 OE2 GLU B 508 4.936 -10.641 -8.823 1.00 0.00 O ATOM 0 H GLU B 508 4.341 -6.152 -9.191 1.00 0.00 H new ATOM 0 HA GLU B 508 4.160 -6.407 -6.246 1.00 0.00 H new ATOM 0 HB2 GLU B 508 5.936 -7.762 -8.297 1.00 0.00 H new ATOM 0 HB3 GLU B 508 6.068 -7.983 -6.563 1.00 0.00 H new ATOM 0 HG2 GLU B 508 3.736 -8.829 -6.490 1.00 0.00 H new ATOM 0 HG3 GLU B 508 3.597 -8.601 -8.222 1.00 0.00 H new ATOM 2091 N ASN B 509 6.231 -5.189 -5.623 1.00 0.00 N ATOM 2092 CA ASN B 509 7.068 -4.081 -5.148 1.00 0.00 C ATOM 2093 C ASN B 509 8.519 -4.201 -5.606 1.00 0.00 C ATOM 2094 O ASN B 509 9.052 -5.301 -5.756 1.00 0.00 O ATOM 2095 CB ASN B 509 7.044 -4.027 -3.618 1.00 0.00 C ATOM 2096 CG ASN B 509 7.844 -5.151 -2.982 1.00 0.00 C ATOM 2097 OD1 ASN B 509 9.034 -5.006 -2.722 1.00 0.00 O ATOM 2098 ND2 ASN B 509 7.200 -6.275 -2.721 1.00 0.00 N ATOM 0 H ASN B 509 5.967 -5.849 -4.891 1.00 0.00 H new ATOM 0 HA ASN B 509 6.652 -3.169 -5.577 1.00 0.00 H new ATOM 0 HB2 ASN B 509 7.443 -3.069 -3.286 1.00 0.00 H new ATOM 0 HB3 ASN B 509 6.012 -4.080 -3.272 1.00 0.00 H new ATOM 0 HD21 ASN B 509 7.693 -7.057 -2.290 1.00 0.00 H new ATOM 0 HD22 ASN B 509 6.210 -6.361 -2.951 1.00 0.00 H new ATOM 2105 N PRO B 510 9.174 -3.049 -5.839 1.00 0.00 N ATOM 2106 CA PRO B 510 10.608 -2.981 -6.099 1.00 0.00 C ATOM 2107 C PRO B 510 11.431 -3.016 -4.811 1.00 0.00 C ATOM 2108 O PRO B 510 12.646 -3.188 -4.855 1.00 0.00 O ATOM 2109 CB PRO B 510 10.793 -1.617 -6.792 1.00 0.00 C ATOM 2110 CG PRO B 510 9.422 -1.042 -6.950 1.00 0.00 C ATOM 2111 CD PRO B 510 8.567 -1.716 -5.921 1.00 0.00 C ATOM 0 HA PRO B 510 10.946 -3.830 -6.693 1.00 0.00 H new ATOM 0 HB2 PRO B 510 11.425 -0.959 -6.195 1.00 0.00 H new ATOM 0 HB3 PRO B 510 11.280 -1.735 -7.760 1.00 0.00 H new ATOM 0 HG2 PRO B 510 9.433 0.038 -6.801 1.00 0.00 H new ATOM 0 HG3 PRO B 510 9.038 -1.221 -7.954 1.00 0.00 H new ATOM 0 HD2 PRO B 510 8.596 -1.196 -4.964 1.00 0.00 H new ATOM 0 HD3 PRO B 510 7.522 -1.763 -6.227 1.00 0.00 H new ATOM 2119 N GLN B 511 10.763 -2.863 -3.667 1.00 0.00 N ATOM 2120 CA GLN B 511 11.440 -2.763 -2.369 1.00 0.00 C ATOM 2121 C GLN B 511 12.269 -4.001 -2.061 1.00 0.00 C ATOM 2122 O GLN B 511 13.379 -3.903 -1.533 1.00 0.00 O ATOM 2123 CB GLN B 511 10.422 -2.547 -1.251 1.00 0.00 C ATOM 2124 CG GLN B 511 9.960 -1.109 -1.082 1.00 0.00 C ATOM 2125 CD GLN B 511 10.047 -0.291 -2.352 1.00 0.00 C ATOM 2126 OE1 GLN B 511 9.119 -0.272 -3.147 1.00 0.00 O ATOM 2127 NE2 GLN B 511 11.160 0.398 -2.544 1.00 0.00 N ATOM 0 H GLN B 511 9.746 -2.805 -3.611 1.00 0.00 H new ATOM 0 HA GLN B 511 12.113 -1.908 -2.427 1.00 0.00 H new ATOM 0 HB2 GLN B 511 9.551 -3.174 -1.445 1.00 0.00 H new ATOM 0 HB3 GLN B 511 10.857 -2.887 -0.311 1.00 0.00 H new ATOM 0 HG2 GLN B 511 8.929 -1.107 -0.728 1.00 0.00 H new ATOM 0 HG3 GLN B 511 10.563 -0.631 -0.310 1.00 0.00 H new ATOM 0 HE21 GLN B 511 11.912 0.355 -1.856 1.00 0.00 H new ATOM 0 HE22 GLN B 511 11.267 0.972 -3.380 1.00 0.00 H new