USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 851 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 62 ASN : amide:sc= -4.68! C(o=-6.3!,f=-9.4!) USER MOD Set 1.2: A 68 SER OG : rot 139:sc= 0.594 USER MOD Set 1.3: A 86 THR OG1 : rot -105:sc= -2.2! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -21:sc= -1.83! USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -12.3! C(o=-12!,f=-16!) USER MOD Single : A 38 THR OG1 : rot -140:sc= 0 USER MOD Single : A 40 SER OG : rot 0:sc= 0.958 USER MOD Single : A 42 MET CE :methyl 171:sc= 0 (180deg=-0.0566) USER MOD Single : A 43 GLN : amide:sc= -0.0998 K(o=-0.1,f=-1.8!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.384 K(o=-0.38,f=-3.6!) USER MOD Single : A 69 TYR OH : rot 30:sc= -0.857 USER MOD Single : A 79 ASN : amide:sc= -22.2! C(o=-22!,f=-23!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -38:sc= -0.561! USER MOD Single : A 91 LYS NZ :NH3+ -126:sc= -0.552 (180deg=-3.21!) USER MOD Single : A 95 THR OG1 : rot 90:sc= -0.162! USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -1.16! USER MOD Single : A 99 ASN :FLIP amide:sc= -3.56! C(o=-5.1!,f=-3.6!) USER MOD Single : A 104 THR OG1 : rot -167:sc= -2.07! USER MOD Single : A 105 LYS NZ :NH3+ -149:sc= -1.02 (180deg=-2.4!) USER MOD Single : A 110 SER OG : rot 157:sc= 1.79 USER MOD Single : A 118 GLN : amide:sc= -1.36 K(o=-1.4,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 132 N LEU A 9 3.179 11.177 4.438 1.00 0.00 N ATOM 133 CA LEU A 9 2.342 11.101 3.204 1.00 0.00 C ATOM 134 C LEU A 9 3.041 10.277 2.114 1.00 0.00 C ATOM 135 O LEU A 9 3.325 10.772 1.028 1.00 0.00 O ATOM 136 CB LEU A 9 2.157 12.551 2.756 1.00 0.00 C ATOM 137 CG LEU A 9 0.740 13.010 3.111 1.00 0.00 C ATOM 138 CD1 LEU A 9 0.785 13.902 4.351 1.00 0.00 C ATOM 139 CD2 LEU A 9 0.147 13.801 1.944 1.00 0.00 C ATOM 0 HA LEU A 9 1.388 10.608 3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.892 13.191 3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.322 12.636 1.682 1.00 0.00 H new ATOM 0 HG LEU A 9 0.121 12.136 3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.225 14.228 4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.204 13.342 5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.408 14.774 4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.861 14.126 2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.769 14.673 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.110 13.168 1.057 1.00 0.00 H new ATOM 151 N ARG A 10 3.314 9.023 2.399 1.00 0.00 N ATOM 152 CA ARG A 10 3.998 8.143 1.400 1.00 0.00 C ATOM 153 C ARG A 10 3.287 6.793 1.279 1.00 0.00 C ATOM 154 O ARG A 10 3.120 6.084 2.246 1.00 0.00 O ATOM 155 CB ARG A 10 5.400 7.925 1.968 1.00 0.00 C ATOM 156 CG ARG A 10 6.435 8.361 0.938 1.00 0.00 C ATOM 157 CD ARG A 10 6.140 9.797 0.529 1.00 0.00 C ATOM 158 NE ARG A 10 7.190 10.605 1.211 1.00 0.00 N ATOM 159 CZ ARG A 10 6.844 11.593 1.992 1.00 0.00 C ATOM 160 NH1 ARG A 10 5.787 11.486 2.748 1.00 0.00 N ATOM 161 NH2 ARG A 10 7.556 12.687 2.018 1.00 0.00 N ATOM 0 H ARG A 10 3.090 8.571 3.286 1.00 0.00 H new ATOM 0 HA ARG A 10 4.002 8.594 0.408 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.524 8.495 2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.543 6.875 2.222 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.439 8.286 1.356 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.402 7.706 0.068 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.187 9.919 -0.553 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.141 10.101 0.841 1.00 0.00 H new ATOM 0 HE ARG A 10 8.176 10.387 1.068 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.231 10.631 2.729 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.516 12.257 3.358 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.384 12.771 1.428 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.285 13.458 2.628 1.00 0.00 H new ATOM 175 N VAL A 11 2.889 6.415 0.100 1.00 0.00 N ATOM 176 CA VAL A 11 2.213 5.096 -0.056 1.00 0.00 C ATOM 177 C VAL A 11 3.258 4.005 -0.325 1.00 0.00 C ATOM 178 O VAL A 11 3.766 3.878 -1.418 1.00 0.00 O ATOM 179 CB VAL A 11 1.265 5.273 -1.248 1.00 0.00 C ATOM 180 CG1 VAL A 11 0.369 6.487 -1.002 1.00 0.00 C ATOM 181 CG2 VAL A 11 2.067 5.502 -2.531 1.00 0.00 C ATOM 0 H VAL A 11 3.000 6.955 -0.758 1.00 0.00 H new ATOM 0 HA VAL A 11 1.669 4.791 0.838 1.00 0.00 H new ATOM 0 HB VAL A 11 0.660 4.373 -1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.307 6.617 -1.847 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.212 6.332 -0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.986 7.378 -0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.383 5.626 -3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.677 6.399 -2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.714 4.644 -2.714 1.00 0.00 H new ATOM 191 N LEU A 12 3.593 3.214 0.661 1.00 0.00 N ATOM 192 CA LEU A 12 4.614 2.154 0.428 1.00 0.00 C ATOM 193 C LEU A 12 3.973 0.954 -0.276 1.00 0.00 C ATOM 194 O LEU A 12 3.566 -0.004 0.345 1.00 0.00 O ATOM 195 CB LEU A 12 5.107 1.753 1.816 1.00 0.00 C ATOM 196 CG LEU A 12 5.886 2.904 2.466 1.00 0.00 C ATOM 197 CD1 LEU A 12 6.924 3.442 1.486 1.00 0.00 C ATOM 198 CD2 LEU A 12 4.930 4.033 2.849 1.00 0.00 C ATOM 0 H LEU A 12 3.209 3.256 1.605 1.00 0.00 H new ATOM 0 HA LEU A 12 5.430 2.504 -0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.259 1.480 2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.744 0.872 1.741 1.00 0.00 H new ATOM 0 HG LEU A 12 6.383 2.529 3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.475 4.259 1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.617 2.645 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.423 3.807 0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.492 4.845 3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.426 4.402 1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.189 3.658 3.555 1.00 0.00 H new ATOM 210 N VAL A 13 3.891 0.996 -1.573 1.00 0.00 N ATOM 211 CA VAL A 13 3.278 -0.138 -2.321 1.00 0.00 C ATOM 212 C VAL A 13 4.368 -1.083 -2.795 1.00 0.00 C ATOM 213 O VAL A 13 5.449 -0.661 -3.148 1.00 0.00 O ATOM 214 CB VAL A 13 2.568 0.511 -3.506 1.00 0.00 C ATOM 215 CG1 VAL A 13 1.713 -0.534 -4.226 1.00 0.00 C ATOM 216 CG2 VAL A 13 1.673 1.643 -2.998 1.00 0.00 C ATOM 0 H VAL A 13 4.222 1.768 -2.152 1.00 0.00 H new ATOM 0 HA VAL A 13 2.589 -0.723 -1.712 1.00 0.00 H new ATOM 0 HB VAL A 13 3.307 0.912 -4.200 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.206 -0.069 -5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.351 -1.342 -4.584 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.972 -0.936 -3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.163 2.110 -3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.934 1.240 -2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.283 2.387 -2.485 1.00 0.00 H new ATOM 226 N VAL A 14 4.110 -2.357 -2.791 1.00 0.00 N ATOM 227 CA VAL A 14 5.164 -3.304 -3.227 1.00 0.00 C ATOM 228 C VAL A 14 4.588 -4.670 -3.641 1.00 0.00 C ATOM 229 O VAL A 14 3.605 -5.155 -3.100 1.00 0.00 O ATOM 230 CB VAL A 14 6.072 -3.454 -2.005 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.986 -2.236 -1.872 1.00 0.00 C ATOM 232 CG2 VAL A 14 5.228 -3.585 -0.741 1.00 0.00 C ATOM 0 H VAL A 14 3.226 -2.779 -2.508 1.00 0.00 H new ATOM 0 HA VAL A 14 5.689 -2.934 -4.107 1.00 0.00 H new ATOM 0 HB VAL A 14 6.680 -4.350 -2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.627 -2.356 -0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.604 -2.145 -2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.380 -1.337 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.882 -3.691 0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.611 -2.695 -0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.587 -4.463 -0.821 1.00 0.00 H new ATOM 242 N GLU A 15 5.235 -5.281 -4.600 1.00 0.00 N ATOM 243 CA GLU A 15 4.830 -6.625 -5.110 1.00 0.00 C ATOM 244 C GLU A 15 5.829 -7.072 -6.193 1.00 0.00 C ATOM 245 O GLU A 15 6.035 -6.385 -7.170 1.00 0.00 O ATOM 246 CB GLU A 15 3.438 -6.451 -5.710 1.00 0.00 C ATOM 247 CG GLU A 15 3.540 -5.617 -6.989 1.00 0.00 C ATOM 248 CD GLU A 15 3.556 -6.547 -8.204 1.00 0.00 C ATOM 249 OE1 GLU A 15 4.015 -7.669 -8.063 1.00 0.00 O ATOM 250 OE2 GLU A 15 3.109 -6.122 -9.256 1.00 0.00 O ATOM 0 H GLU A 15 6.054 -4.890 -5.065 1.00 0.00 H new ATOM 0 HA GLU A 15 4.822 -7.379 -4.323 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.000 -7.424 -5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.779 -5.960 -4.994 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.697 -4.929 -7.055 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.446 -5.011 -6.969 1.00 0.00 H new ATOM 257 N ASP A 16 6.453 -8.209 -6.002 1.00 0.00 N ATOM 258 CA ASP A 16 7.460 -8.737 -6.975 1.00 0.00 C ATOM 259 C ASP A 16 7.200 -8.252 -8.397 1.00 0.00 C ATOM 260 O ASP A 16 6.563 -8.915 -9.191 1.00 0.00 O ATOM 261 CB ASP A 16 7.311 -10.254 -6.906 1.00 0.00 C ATOM 262 CG ASP A 16 5.924 -10.656 -7.415 1.00 0.00 C ATOM 263 OD1 ASP A 16 5.066 -9.791 -7.487 1.00 0.00 O ATOM 264 OD2 ASP A 16 5.744 -11.822 -7.728 1.00 0.00 O ATOM 0 H ASP A 16 6.302 -8.808 -5.191 1.00 0.00 H new ATOM 0 HA ASP A 16 8.463 -8.393 -6.722 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.083 -10.733 -7.507 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.447 -10.597 -5.880 1.00 0.00 H new ATOM 269 N GLU A 17 7.704 -7.105 -8.725 1.00 0.00 N ATOM 270 CA GLU A 17 7.506 -6.575 -10.105 1.00 0.00 C ATOM 271 C GLU A 17 8.002 -5.133 -10.221 1.00 0.00 C ATOM 272 O GLU A 17 7.808 -4.323 -9.339 1.00 0.00 O ATOM 273 CB GLU A 17 5.997 -6.635 -10.342 1.00 0.00 C ATOM 274 CG GLU A 17 5.708 -7.529 -11.549 1.00 0.00 C ATOM 275 CD GLU A 17 4.815 -8.693 -11.118 1.00 0.00 C ATOM 276 OE1 GLU A 17 3.833 -8.439 -10.439 1.00 0.00 O ATOM 277 OE2 GLU A 17 5.127 -9.817 -11.473 1.00 0.00 O ATOM 0 H GLU A 17 8.246 -6.506 -8.102 1.00 0.00 H new ATOM 0 HA GLU A 17 8.066 -7.154 -10.839 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.494 -7.026 -9.457 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.605 -5.633 -10.515 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.218 -6.952 -12.334 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.641 -7.907 -11.967 1.00 0.00 H new ATOM 284 N SER A 18 8.622 -4.804 -11.323 1.00 0.00 N ATOM 285 CA SER A 18 9.105 -3.409 -11.526 1.00 0.00 C ATOM 286 C SER A 18 8.030 -2.628 -12.273 1.00 0.00 C ATOM 287 O SER A 18 8.029 -1.414 -12.300 1.00 0.00 O ATOM 288 CB SER A 18 10.373 -3.536 -12.370 1.00 0.00 C ATOM 289 OG SER A 18 10.448 -2.438 -13.271 1.00 0.00 O ATOM 0 H SER A 18 8.815 -5.444 -12.093 1.00 0.00 H new ATOM 0 HA SER A 18 9.311 -2.886 -10.592 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.252 -3.554 -11.726 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.363 -4.475 -12.923 1.00 0.00 H new ATOM 0 HG SER A 18 11.261 -2.515 -13.813 1.00 0.00 H new ATOM 295 N MET A 19 7.099 -3.325 -12.867 1.00 0.00 N ATOM 296 CA MET A 19 6.009 -2.631 -13.596 1.00 0.00 C ATOM 297 C MET A 19 5.258 -1.720 -12.628 1.00 0.00 C ATOM 298 O MET A 19 4.860 -0.630 -12.979 1.00 0.00 O ATOM 299 CB MET A 19 5.094 -3.745 -14.107 1.00 0.00 C ATOM 300 CG MET A 19 4.464 -3.315 -15.432 1.00 0.00 C ATOM 301 SD MET A 19 4.868 -4.525 -16.716 1.00 0.00 S ATOM 302 CE MET A 19 3.624 -5.762 -16.270 1.00 0.00 C ATOM 0 H MET A 19 7.050 -4.344 -12.877 1.00 0.00 H new ATOM 0 HA MET A 19 6.376 -2.011 -14.414 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.663 -4.665 -14.243 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.316 -3.957 -13.373 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.383 -3.233 -15.323 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.831 -2.329 -15.718 1.00 0.00 H new ATOM 0 HE1 MET A 19 3.697 -6.612 -16.948 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.795 -6.098 -15.247 1.00 0.00 H new ATOM 0 HE3 MET A 19 2.630 -5.322 -16.346 1.00 0.00 H new ATOM 312 N ILE A 20 5.073 -2.161 -11.407 1.00 0.00 N ATOM 313 CA ILE A 20 4.354 -1.319 -10.407 1.00 0.00 C ATOM 314 C ILE A 20 5.182 -0.080 -10.073 1.00 0.00 C ATOM 315 O ILE A 20 4.660 0.948 -9.691 1.00 0.00 O ATOM 316 CB ILE A 20 4.180 -2.207 -9.169 1.00 0.00 C ATOM 317 CG1 ILE A 20 3.416 -1.425 -8.097 1.00 0.00 C ATOM 318 CG2 ILE A 20 5.542 -2.640 -8.617 1.00 0.00 C ATOM 319 CD1 ILE A 20 2.974 -2.371 -6.980 1.00 0.00 C ATOM 0 H ILE A 20 5.390 -3.067 -11.062 1.00 0.00 H new ATOM 0 HA ILE A 20 3.393 -0.968 -10.783 1.00 0.00 H new ATOM 0 HB ILE A 20 3.623 -3.101 -9.449 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.049 -0.637 -7.689 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.546 -0.939 -8.539 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.395 -3.269 -7.739 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.082 -3.201 -9.380 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.119 -1.758 -8.339 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.431 -1.809 -6.220 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.325 -3.143 -7.393 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.851 -2.836 -6.529 1.00 0.00 H new ATOM 331 N ALA A 21 6.471 -0.171 -10.221 1.00 0.00 N ATOM 332 CA ALA A 21 7.342 0.997 -9.921 1.00 0.00 C ATOM 333 C ALA A 21 6.878 2.219 -10.712 1.00 0.00 C ATOM 334 O ALA A 21 6.256 3.122 -10.179 1.00 0.00 O ATOM 335 CB ALA A 21 8.731 0.554 -10.363 1.00 0.00 C ATOM 0 H ALA A 21 6.962 -1.007 -10.538 1.00 0.00 H new ATOM 0 HA ALA A 21 7.319 1.285 -8.870 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.445 1.357 -10.179 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.027 -0.331 -9.800 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.716 0.319 -11.427 1.00 0.00 H new ATOM 341 N MET A 22 7.155 2.261 -11.983 1.00 0.00 N ATOM 342 CA MET A 22 6.695 3.434 -12.773 1.00 0.00 C ATOM 343 C MET A 22 5.176 3.541 -12.630 1.00 0.00 C ATOM 344 O MET A 22 4.589 4.579 -12.858 1.00 0.00 O ATOM 345 CB MET A 22 7.176 3.164 -14.218 1.00 0.00 C ATOM 346 CG MET A 22 6.018 3.130 -15.228 1.00 0.00 C ATOM 347 SD MET A 22 5.477 1.420 -15.470 1.00 0.00 S ATOM 348 CE MET A 22 5.067 1.567 -17.227 1.00 0.00 C ATOM 0 H MET A 22 7.670 1.549 -12.501 1.00 0.00 H new ATOM 0 HA MET A 22 7.095 4.392 -12.441 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.887 3.937 -14.511 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.708 2.213 -14.248 1.00 0.00 H new ATOM 0 HG2 MET A 22 5.188 3.737 -14.866 1.00 0.00 H new ATOM 0 HG3 MET A 22 6.337 3.559 -16.178 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.703 0.608 -17.597 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.293 2.324 -17.358 1.00 0.00 H new ATOM 0 HE3 MET A 22 5.957 1.858 -17.785 1.00 0.00 H new ATOM 358 N LEU A 23 4.545 2.483 -12.206 1.00 0.00 N ATOM 359 CA LEU A 23 3.077 2.530 -11.992 1.00 0.00 C ATOM 360 C LEU A 23 2.783 3.474 -10.823 1.00 0.00 C ATOM 361 O LEU A 23 1.650 3.822 -10.558 1.00 0.00 O ATOM 362 CB LEU A 23 2.700 1.097 -11.625 1.00 0.00 C ATOM 363 CG LEU A 23 1.406 0.694 -12.333 1.00 0.00 C ATOM 364 CD1 LEU A 23 1.567 -0.709 -12.924 1.00 0.00 C ATOM 365 CD2 LEU A 23 0.254 0.691 -11.326 1.00 0.00 C ATOM 0 H LEU A 23 4.985 1.587 -11.999 1.00 0.00 H new ATOM 0 HA LEU A 23 2.522 2.887 -12.860 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.504 0.418 -11.907 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.575 1.011 -10.546 1.00 0.00 H new ATOM 0 HG LEU A 23 1.191 1.405 -13.131 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.646 -0.999 -13.429 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.389 -0.710 -13.640 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.781 -1.418 -12.124 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.669 0.404 -11.830 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.469 -0.021 -10.529 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.140 1.688 -10.901 1.00 0.00 H new ATOM 377 N ILE A 24 3.809 3.877 -10.112 1.00 0.00 N ATOM 378 CA ILE A 24 3.611 4.785 -8.949 1.00 0.00 C ATOM 379 C ILE A 24 3.960 6.227 -9.319 1.00 0.00 C ATOM 380 O ILE A 24 3.205 7.140 -9.054 1.00 0.00 O ATOM 381 CB ILE A 24 4.550 4.239 -7.861 1.00 0.00 C ATOM 382 CG1 ILE A 24 3.923 4.492 -6.490 1.00 0.00 C ATOM 383 CG2 ILE A 24 5.924 4.923 -7.913 1.00 0.00 C ATOM 384 CD1 ILE A 24 4.406 3.431 -5.500 1.00 0.00 C ATOM 0 H ILE A 24 4.777 3.612 -10.292 1.00 0.00 H new ATOM 0 HA ILE A 24 2.574 4.808 -8.613 1.00 0.00 H new ATOM 0 HB ILE A 24 4.689 3.172 -8.033 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.193 5.486 -6.133 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.836 4.465 -6.566 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.564 4.514 -7.131 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.382 4.746 -8.886 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.803 5.995 -7.759 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.958 3.614 -4.523 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.114 2.443 -5.854 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.492 3.480 -5.416 1.00 0.00 H new ATOM 396 N GLU A 25 5.094 6.446 -9.926 1.00 0.00 N ATOM 397 CA GLU A 25 5.460 7.842 -10.299 1.00 0.00 C ATOM 398 C GLU A 25 4.254 8.515 -10.951 1.00 0.00 C ATOM 399 O GLU A 25 4.061 9.712 -10.858 1.00 0.00 O ATOM 400 CB GLU A 25 6.613 7.703 -11.290 1.00 0.00 C ATOM 401 CG GLU A 25 7.928 7.570 -10.517 1.00 0.00 C ATOM 402 CD GLU A 25 8.780 8.821 -10.739 1.00 0.00 C ATOM 403 OE1 GLU A 25 8.218 9.837 -11.112 1.00 0.00 O ATOM 404 OE2 GLU A 25 9.980 8.740 -10.534 1.00 0.00 O ATOM 0 H GLU A 25 5.775 5.730 -10.177 1.00 0.00 H new ATOM 0 HA GLU A 25 5.750 8.451 -9.443 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.460 6.830 -11.924 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.650 8.572 -11.947 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.725 7.439 -9.454 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.470 6.685 -10.850 1.00 0.00 H new ATOM 411 N ASP A 26 3.431 7.740 -11.596 1.00 0.00 N ATOM 412 CA ASP A 26 2.222 8.306 -12.247 1.00 0.00 C ATOM 413 C ASP A 26 1.114 8.465 -11.200 1.00 0.00 C ATOM 414 O ASP A 26 0.485 9.500 -11.100 1.00 0.00 O ATOM 415 CB ASP A 26 1.862 7.281 -13.332 1.00 0.00 C ATOM 416 CG ASP A 26 0.904 6.222 -12.776 1.00 0.00 C ATOM 417 OD1 ASP A 26 -0.273 6.519 -12.664 1.00 0.00 O ATOM 418 OD2 ASP A 26 1.366 5.134 -12.474 1.00 0.00 O ATOM 0 H ASP A 26 3.546 6.732 -11.700 1.00 0.00 H new ATOM 0 HA ASP A 26 2.372 9.295 -12.681 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.401 7.787 -14.180 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.768 6.801 -13.702 1.00 0.00 H new ATOM 423 N THR A 27 0.889 7.456 -10.398 1.00 0.00 N ATOM 424 CA THR A 27 -0.153 7.577 -9.345 1.00 0.00 C ATOM 425 C THR A 27 0.213 8.752 -8.442 1.00 0.00 C ATOM 426 O THR A 27 -0.632 9.447 -7.923 1.00 0.00 O ATOM 427 CB THR A 27 -0.113 6.263 -8.568 1.00 0.00 C ATOM 428 OG1 THR A 27 1.159 6.120 -7.949 1.00 0.00 O ATOM 429 CG2 THR A 27 -0.354 5.093 -9.523 1.00 0.00 C ATOM 0 H THR A 27 1.379 6.562 -10.429 1.00 0.00 H new ATOM 0 HA THR A 27 -1.150 7.754 -9.749 1.00 0.00 H new ATOM 0 HB THR A 27 -0.891 6.269 -7.804 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.814 6.681 -8.414 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.325 4.157 -8.966 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.330 5.204 -9.995 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.421 5.083 -10.289 1.00 0.00 H new ATOM 437 N LEU A 28 1.480 8.998 -8.274 1.00 0.00 N ATOM 438 CA LEU A 28 1.897 10.151 -7.439 1.00 0.00 C ATOM 439 C LEU A 28 1.407 11.420 -8.133 1.00 0.00 C ATOM 440 O LEU A 28 0.900 12.331 -7.510 1.00 0.00 O ATOM 441 CB LEU A 28 3.426 10.068 -7.395 1.00 0.00 C ATOM 442 CG LEU A 28 4.056 11.459 -7.515 1.00 0.00 C ATOM 443 CD1 LEU A 28 3.688 12.297 -6.291 1.00 0.00 C ATOM 444 CD2 LEU A 28 5.575 11.315 -7.599 1.00 0.00 C ATOM 0 H LEU A 28 2.241 8.452 -8.678 1.00 0.00 H new ATOM 0 HA LEU A 28 1.492 10.151 -6.427 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.742 9.601 -6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.783 9.432 -8.206 1.00 0.00 H new ATOM 0 HG LEU A 28 3.684 11.953 -8.412 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.137 13.286 -6.379 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.604 12.395 -6.230 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.060 11.808 -5.390 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.030 12.302 -7.685 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.944 10.822 -6.700 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.836 10.718 -8.473 1.00 0.00 H new ATOM 456 N CYS A 29 1.533 11.467 -9.434 1.00 0.00 N ATOM 457 CA CYS A 29 1.047 12.656 -10.177 1.00 0.00 C ATOM 458 C CYS A 29 -0.391 12.954 -9.742 1.00 0.00 C ATOM 459 O CYS A 29 -0.790 14.093 -9.611 1.00 0.00 O ATOM 460 CB CYS A 29 1.099 12.261 -11.655 1.00 0.00 C ATOM 461 SG CYS A 29 2.178 13.409 -12.548 1.00 0.00 S ATOM 0 H CYS A 29 1.950 10.734 -10.008 1.00 0.00 H new ATOM 0 HA CYS A 29 1.643 13.549 -9.990 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.471 11.241 -11.757 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.097 12.279 -12.083 1.00 0.00 H new ATOM 0 HG CYS A 29 2.225 13.073 -13.803 1.00 0.00 H new ATOM 467 N GLU A 30 -1.169 11.925 -9.507 1.00 0.00 N ATOM 468 CA GLU A 30 -2.575 12.132 -9.068 1.00 0.00 C ATOM 469 C GLU A 30 -2.668 12.126 -7.535 1.00 0.00 C ATOM 470 O GLU A 30 -3.568 12.708 -6.965 1.00 0.00 O ATOM 471 CB GLU A 30 -3.381 10.968 -9.665 1.00 0.00 C ATOM 472 CG GLU A 30 -2.799 9.631 -9.204 1.00 0.00 C ATOM 473 CD GLU A 30 -3.737 8.490 -9.604 1.00 0.00 C ATOM 474 OE1 GLU A 30 -4.597 8.721 -10.437 1.00 0.00 O ATOM 475 OE2 GLU A 30 -3.577 7.404 -9.070 1.00 0.00 O ATOM 0 H GLU A 30 -0.885 10.950 -9.602 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.960 13.095 -9.404 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.424 11.044 -9.359 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.364 11.025 -10.753 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.816 9.479 -9.650 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.661 9.638 -8.123 1.00 0.00 H new ATOM 482 N LEU A 31 -1.746 11.481 -6.857 1.00 0.00 N ATOM 483 CA LEU A 31 -1.809 11.466 -5.361 1.00 0.00 C ATOM 484 C LEU A 31 -1.225 12.753 -4.804 1.00 0.00 C ATOM 485 O LEU A 31 -1.706 13.304 -3.833 1.00 0.00 O ATOM 486 CB LEU A 31 -0.897 10.330 -4.901 1.00 0.00 C ATOM 487 CG LEU A 31 -1.560 8.970 -5.090 1.00 0.00 C ATOM 488 CD1 LEU A 31 -0.469 7.917 -5.299 1.00 0.00 C ATOM 489 CD2 LEU A 31 -2.357 8.622 -3.832 1.00 0.00 C ATOM 0 H LEU A 31 -0.964 10.972 -7.268 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.840 11.352 -5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.037 10.362 -5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.642 10.469 -3.850 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.227 8.995 -5.952 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.929 6.938 -5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.116 8.170 -6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.184 7.892 -4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.834 7.650 -3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.685 8.586 -2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.121 9.381 -3.663 1.00 0.00 H new ATOM 501 N GLY A 32 -0.150 13.206 -5.384 1.00 0.00 N ATOM 502 CA GLY A 32 0.508 14.423 -4.852 1.00 0.00 C ATOM 503 C GLY A 32 1.500 13.976 -3.776 1.00 0.00 C ATOM 504 O GLY A 32 2.319 14.743 -3.309 1.00 0.00 O ATOM 0 H GLY A 32 0.297 12.787 -6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.023 14.960 -5.649 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.231 15.106 -4.433 1.00 0.00 H new ATOM 508 N HIS A 33 1.433 12.721 -3.389 1.00 0.00 N ATOM 509 CA HIS A 33 2.370 12.198 -2.358 1.00 0.00 C ATOM 510 C HIS A 33 3.798 12.591 -2.732 1.00 0.00 C ATOM 511 O HIS A 33 4.024 13.218 -3.747 1.00 0.00 O ATOM 512 CB HIS A 33 2.207 10.676 -2.409 1.00 0.00 C ATOM 513 CG HIS A 33 0.953 10.266 -1.682 1.00 0.00 C ATOM 514 ND1 HIS A 33 0.084 9.311 -2.190 1.00 0.00 N ATOM 515 CD2 HIS A 33 0.408 10.670 -0.487 1.00 0.00 C ATOM 516 CE1 HIS A 33 -0.927 9.172 -1.315 1.00 0.00 C ATOM 517 NE2 HIS A 33 -0.780 9.977 -0.257 1.00 0.00 N ATOM 0 H HIS A 33 0.765 12.040 -3.749 1.00 0.00 H new ATOM 0 HA HIS A 33 2.166 12.593 -1.363 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.162 10.342 -3.445 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.073 10.194 -1.956 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.834 11.411 0.173 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.756 8.493 -1.450 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -1.403 10.065 0.546 1.00 0.00 H new ATOM 525 N GLU A 34 4.767 12.231 -1.940 1.00 0.00 N ATOM 526 CA GLU A 34 6.167 12.607 -2.307 1.00 0.00 C ATOM 527 C GLU A 34 6.808 11.499 -3.166 1.00 0.00 C ATOM 528 O GLU A 34 6.740 11.530 -4.378 1.00 0.00 O ATOM 529 CB GLU A 34 6.896 12.793 -0.976 1.00 0.00 C ATOM 530 CG GLU A 34 8.236 13.490 -1.217 1.00 0.00 C ATOM 531 CD GLU A 34 9.375 12.578 -0.759 1.00 0.00 C ATOM 532 OE1 GLU A 34 9.206 11.371 -0.831 1.00 0.00 O ATOM 533 OE2 GLU A 34 10.396 13.100 -0.343 1.00 0.00 O ATOM 0 H GLU A 34 4.660 11.705 -1.073 1.00 0.00 H new ATOM 0 HA GLU A 34 6.214 13.517 -2.906 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.284 13.385 -0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.058 11.826 -0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.349 13.728 -2.275 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.270 14.434 -0.673 1.00 0.00 H new ATOM 540 N VAL A 35 7.413 10.518 -2.553 1.00 0.00 N ATOM 541 CA VAL A 35 8.038 9.405 -3.324 1.00 0.00 C ATOM 542 C VAL A 35 7.844 8.109 -2.528 1.00 0.00 C ATOM 543 O VAL A 35 8.569 7.826 -1.594 1.00 0.00 O ATOM 544 CB VAL A 35 9.522 9.791 -3.455 1.00 0.00 C ATOM 545 CG1 VAL A 35 10.420 8.562 -3.267 1.00 0.00 C ATOM 546 CG2 VAL A 35 9.764 10.381 -4.847 1.00 0.00 C ATOM 0 H VAL A 35 7.502 10.439 -1.540 1.00 0.00 H new ATOM 0 HA VAL A 35 7.603 9.247 -4.311 1.00 0.00 H new ATOM 0 HB VAL A 35 9.764 10.523 -2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.465 8.857 -3.363 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.253 8.137 -2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.181 7.817 -4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.814 10.657 -4.948 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.509 9.641 -5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.142 11.266 -4.980 1.00 0.00 H new ATOM 556 N ALA A 36 6.850 7.341 -2.870 1.00 0.00 N ATOM 557 CA ALA A 36 6.577 6.090 -2.115 1.00 0.00 C ATOM 558 C ALA A 36 7.482 4.940 -2.566 1.00 0.00 C ATOM 559 O ALA A 36 8.571 5.146 -3.065 1.00 0.00 O ATOM 560 CB ALA A 36 5.118 5.774 -2.423 1.00 0.00 C ATOM 0 H ALA A 36 6.212 7.527 -3.644 1.00 0.00 H new ATOM 0 HA ALA A 36 6.771 6.214 -1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.826 4.860 -1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.489 6.598 -2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.994 5.637 -3.497 1.00 0.00 H new ATOM 566 N ALA A 37 7.032 3.726 -2.373 1.00 0.00 N ATOM 567 CA ALA A 37 7.852 2.546 -2.765 1.00 0.00 C ATOM 568 C ALA A 37 7.099 1.672 -3.766 1.00 0.00 C ATOM 569 O ALA A 37 5.913 1.831 -3.983 1.00 0.00 O ATOM 570 CB ALA A 37 8.066 1.767 -1.469 1.00 0.00 C ATOM 0 H ALA A 37 6.127 3.503 -1.959 1.00 0.00 H new ATOM 0 HA ALA A 37 8.787 2.846 -3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.664 0.879 -1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.586 2.397 -0.747 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.101 1.468 -1.060 1.00 0.00 H new ATOM 576 N THR A 38 7.786 0.740 -4.361 1.00 0.00 N ATOM 577 CA THR A 38 7.138 -0.169 -5.342 1.00 0.00 C ATOM 578 C THR A 38 7.867 -1.512 -5.363 1.00 0.00 C ATOM 579 O THR A 38 8.883 -1.686 -4.721 1.00 0.00 O ATOM 580 CB THR A 38 7.262 0.544 -6.683 1.00 0.00 C ATOM 581 OG1 THR A 38 8.306 1.507 -6.614 1.00 0.00 O ATOM 582 CG2 THR A 38 5.941 1.241 -7.002 1.00 0.00 C ATOM 0 H THR A 38 8.780 0.568 -4.207 1.00 0.00 H new ATOM 0 HA THR A 38 6.097 -0.379 -5.097 1.00 0.00 H new ATOM 0 HB THR A 38 7.493 -0.179 -7.465 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.034 2.319 -7.091 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.022 1.754 -7.961 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.142 0.501 -7.053 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.714 1.966 -6.221 1.00 0.00 H new ATOM 590 N ALA A 39 7.344 -2.468 -6.073 1.00 0.00 N ATOM 591 CA ALA A 39 7.990 -3.809 -6.108 1.00 0.00 C ATOM 592 C ALA A 39 8.078 -4.352 -4.693 1.00 0.00 C ATOM 593 O ALA A 39 8.044 -3.617 -3.736 1.00 0.00 O ATOM 594 CB ALA A 39 9.392 -3.604 -6.670 1.00 0.00 C ATOM 0 H ALA A 39 6.496 -2.380 -6.632 1.00 0.00 H new ATOM 0 HA ALA A 39 7.425 -4.513 -6.718 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.909 -4.562 -6.716 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.324 -3.180 -7.672 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.947 -2.923 -6.025 1.00 0.00 H new ATOM 600 N SER A 40 8.157 -5.629 -4.547 1.00 0.00 N ATOM 601 CA SER A 40 8.224 -6.197 -3.174 1.00 0.00 C ATOM 602 C SER A 40 9.661 -6.176 -2.653 1.00 0.00 C ATOM 603 O SER A 40 10.539 -6.837 -3.175 1.00 0.00 O ATOM 604 CB SER A 40 7.686 -7.609 -3.297 1.00 0.00 C ATOM 605 OG SER A 40 8.659 -8.443 -3.911 1.00 0.00 O ATOM 0 H SER A 40 8.179 -6.309 -5.307 1.00 0.00 H new ATOM 0 HA SER A 40 7.641 -5.618 -2.458 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.430 -7.998 -2.311 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.769 -7.609 -3.887 1.00 0.00 H new ATOM 0 HG SER A 40 9.459 -7.916 -4.116 1.00 0.00 H new ATOM 611 N ARG A 41 9.903 -5.404 -1.626 1.00 0.00 N ATOM 612 CA ARG A 41 11.270 -5.309 -1.058 1.00 0.00 C ATOM 613 C ARG A 41 11.219 -5.448 0.466 1.00 0.00 C ATOM 614 O ARG A 41 10.656 -4.621 1.154 1.00 0.00 O ATOM 615 CB ARG A 41 11.756 -3.911 -1.447 1.00 0.00 C ATOM 616 CG ARG A 41 13.275 -3.929 -1.633 1.00 0.00 C ATOM 617 CD ARG A 41 13.653 -5.032 -2.626 1.00 0.00 C ATOM 618 NE ARG A 41 14.783 -4.472 -3.419 1.00 0.00 N ATOM 619 CZ ARG A 41 14.544 -3.655 -4.408 1.00 0.00 C ATOM 620 NH1 ARG A 41 13.870 -4.069 -5.447 1.00 0.00 N ATOM 621 NH2 ARG A 41 14.983 -2.427 -4.360 1.00 0.00 N ATOM 0 H ARG A 41 9.202 -4.832 -1.156 1.00 0.00 H new ATOM 0 HA ARG A 41 11.929 -6.094 -1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.270 -3.589 -2.368 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.482 -3.192 -0.675 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.619 -2.962 -1.999 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.768 -4.102 -0.676 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.949 -5.944 -2.108 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.811 -5.290 -3.268 1.00 0.00 H new ATOM 0 HE ARG A 41 15.743 -4.727 -3.189 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.531 -5.030 -5.485 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.683 -3.431 -6.221 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.513 -2.106 -3.550 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.796 -1.788 -5.133 1.00 0.00 H new ATOM 635 N MET A 42 11.800 -6.486 1.000 1.00 0.00 N ATOM 636 CA MET A 42 11.780 -6.670 2.479 1.00 0.00 C ATOM 637 C MET A 42 12.439 -5.470 3.168 1.00 0.00 C ATOM 638 O MET A 42 12.071 -5.090 4.262 1.00 0.00 O ATOM 639 CB MET A 42 12.585 -7.944 2.732 1.00 0.00 C ATOM 640 CG MET A 42 11.652 -9.156 2.675 1.00 0.00 C ATOM 641 SD MET A 42 12.110 -10.328 3.976 1.00 0.00 S ATOM 642 CE MET A 42 10.633 -11.368 3.876 1.00 0.00 C ATOM 0 H MET A 42 12.287 -7.214 0.478 1.00 0.00 H new ATOM 0 HA MET A 42 10.767 -6.746 2.873 1.00 0.00 H new ATOM 0 HB2 MET A 42 13.373 -8.043 1.986 1.00 0.00 H new ATOM 0 HB3 MET A 42 13.072 -7.892 3.706 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.617 -8.839 2.804 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.719 -9.635 1.698 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.773 -12.258 4.489 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.770 -10.810 4.238 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.465 -11.663 2.840 1.00 0.00 H new ATOM 652 N GLN A 43 13.410 -4.871 2.532 1.00 0.00 N ATOM 653 CA GLN A 43 14.094 -3.695 3.142 1.00 0.00 C ATOM 654 C GLN A 43 13.105 -2.538 3.298 1.00 0.00 C ATOM 655 O GLN A 43 12.997 -1.935 4.348 1.00 0.00 O ATOM 656 CB GLN A 43 15.199 -3.326 2.150 1.00 0.00 C ATOM 657 CG GLN A 43 16.070 -2.217 2.743 1.00 0.00 C ATOM 658 CD GLN A 43 16.952 -2.800 3.848 1.00 0.00 C ATOM 659 OE1 GLN A 43 17.275 -3.971 3.830 1.00 0.00 O ATOM 660 NE2 GLN A 43 17.356 -2.027 4.818 1.00 0.00 N ATOM 0 H GLN A 43 13.759 -5.146 1.614 1.00 0.00 H new ATOM 0 HA GLN A 43 14.491 -3.911 4.134 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.809 -4.201 1.927 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.761 -2.994 1.209 1.00 0.00 H new ATOM 0 HG2 GLN A 43 16.690 -1.771 1.965 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.442 -1.422 3.145 1.00 0.00 H new ATOM 0 HE21 GLN A 43 17.085 -1.044 4.833 1.00 0.00 H new ATOM 0 HE22 GLN A 43 17.943 -2.406 5.561 1.00 0.00 H new ATOM 669 N GLU A 44 12.382 -2.225 2.258 1.00 0.00 N ATOM 670 CA GLU A 44 11.400 -1.112 2.336 1.00 0.00 C ATOM 671 C GLU A 44 10.095 -1.605 2.969 1.00 0.00 C ATOM 672 O GLU A 44 9.545 -0.975 3.849 1.00 0.00 O ATOM 673 CB GLU A 44 11.172 -0.685 0.884 1.00 0.00 C ATOM 674 CG GLU A 44 12.252 0.319 0.474 1.00 0.00 C ATOM 675 CD GLU A 44 12.011 1.648 1.190 1.00 0.00 C ATOM 676 OE1 GLU A 44 10.868 2.072 1.241 1.00 0.00 O ATOM 677 OE2 GLU A 44 12.973 2.219 1.679 1.00 0.00 O ATOM 0 H GLU A 44 12.431 -2.696 1.354 1.00 0.00 H new ATOM 0 HA GLU A 44 11.755 -0.285 2.950 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.201 -1.555 0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.184 -0.238 0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.239 -0.069 0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.235 0.467 -0.606 1.00 0.00 H new ATOM 684 N ALA A 45 9.598 -2.732 2.531 1.00 0.00 N ATOM 685 CA ALA A 45 8.331 -3.266 3.113 1.00 0.00 C ATOM 686 C ALA A 45 8.365 -3.134 4.635 1.00 0.00 C ATOM 687 O ALA A 45 7.445 -2.633 5.249 1.00 0.00 O ATOM 688 CB ALA A 45 8.295 -4.737 2.703 1.00 0.00 C ATOM 0 H ALA A 45 10.014 -3.305 1.797 1.00 0.00 H new ATOM 0 HA ALA A 45 7.451 -2.727 2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.390 -5.202 3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.300 -4.812 1.616 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.169 -5.249 3.106 1.00 0.00 H new ATOM 694 N LEU A 46 9.430 -3.567 5.244 1.00 0.00 N ATOM 695 CA LEU A 46 9.543 -3.454 6.723 1.00 0.00 C ATOM 696 C LEU A 46 9.240 -2.014 7.140 1.00 0.00 C ATOM 697 O LEU A 46 8.468 -1.765 8.042 1.00 0.00 O ATOM 698 CB LEU A 46 11.000 -3.818 7.017 1.00 0.00 C ATOM 699 CG LEU A 46 11.361 -3.419 8.448 1.00 0.00 C ATOM 700 CD1 LEU A 46 12.361 -4.426 9.021 1.00 0.00 C ATOM 701 CD2 LEU A 46 11.994 -2.027 8.442 1.00 0.00 C ATOM 0 H LEU A 46 10.231 -3.996 4.780 1.00 0.00 H new ATOM 0 HA LEU A 46 8.849 -4.096 7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.150 -4.889 6.881 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.659 -3.311 6.312 1.00 0.00 H new ATOM 0 HG LEU A 46 10.460 -3.410 9.061 1.00 0.00 H new ATOM 0 HD11 LEU A 46 12.619 -4.142 10.041 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.915 -5.421 9.023 1.00 0.00 H new ATOM 0 HD13 LEU A 46 13.262 -4.433 8.408 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.252 -1.740 9.461 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.895 -2.040 7.829 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.286 -1.307 8.031 1.00 0.00 H new ATOM 713 N ASP A 47 9.835 -1.067 6.470 1.00 0.00 N ATOM 714 CA ASP A 47 9.585 0.366 6.808 1.00 0.00 C ATOM 715 C ASP A 47 8.083 0.654 6.796 1.00 0.00 C ATOM 716 O ASP A 47 7.548 1.269 7.696 1.00 0.00 O ATOM 717 CB ASP A 47 10.289 1.158 5.706 1.00 0.00 C ATOM 718 CG ASP A 47 10.191 2.656 6.005 1.00 0.00 C ATOM 719 OD1 ASP A 47 11.045 3.155 6.721 1.00 0.00 O ATOM 720 OD2 ASP A 47 9.265 3.279 5.512 1.00 0.00 O ATOM 0 H ASP A 47 10.486 -1.222 5.700 1.00 0.00 H new ATOM 0 HA ASP A 47 9.953 0.629 7.800 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.335 0.858 5.641 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.834 0.939 4.740 1.00 0.00 H new ATOM 725 N ILE A 48 7.401 0.206 5.781 1.00 0.00 N ATOM 726 CA ILE A 48 5.924 0.450 5.712 1.00 0.00 C ATOM 727 C ILE A 48 5.266 -0.150 6.960 1.00 0.00 C ATOM 728 O ILE A 48 4.183 0.227 7.345 1.00 0.00 O ATOM 729 CB ILE A 48 5.387 -0.220 4.414 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.736 -1.577 4.710 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.503 -0.429 3.391 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.500 -2.319 3.387 1.00 0.00 C ATOM 0 H ILE A 48 7.794 -0.316 4.998 1.00 0.00 H new ATOM 0 HA ILE A 48 5.695 1.515 5.684 1.00 0.00 H new ATOM 0 HB ILE A 48 4.639 0.459 4.003 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.378 -2.168 5.363 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.792 -1.435 5.235 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.094 -0.899 2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.940 0.534 3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.273 -1.072 3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.037 -3.285 3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.842 -1.728 2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.453 -2.472 2.881 1.00 0.00 H new ATOM 744 N ALA A 49 5.911 -1.101 7.581 1.00 0.00 N ATOM 745 CA ALA A 49 5.322 -1.738 8.789 1.00 0.00 C ATOM 746 C ALA A 49 5.825 -1.082 10.084 1.00 0.00 C ATOM 747 O ALA A 49 5.045 -0.644 10.906 1.00 0.00 O ATOM 748 CB ALA A 49 5.769 -3.196 8.723 1.00 0.00 C ATOM 0 H ALA A 49 6.822 -1.463 7.301 1.00 0.00 H new ATOM 0 HA ALA A 49 4.237 -1.631 8.802 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.374 -3.737 9.583 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.395 -3.650 7.805 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.858 -3.244 8.733 1.00 0.00 H new ATOM 754 N ARG A 50 7.119 -1.034 10.290 1.00 0.00 N ATOM 755 CA ARG A 50 7.641 -0.430 11.557 1.00 0.00 C ATOM 756 C ARG A 50 7.403 1.081 11.567 1.00 0.00 C ATOM 757 O ARG A 50 7.284 1.693 12.610 1.00 0.00 O ATOM 758 CB ARG A 50 9.157 -0.710 11.618 1.00 0.00 C ATOM 759 CG ARG A 50 9.549 -1.985 10.854 1.00 0.00 C ATOM 760 CD ARG A 50 8.587 -3.132 11.177 1.00 0.00 C ATOM 761 NE ARG A 50 9.242 -3.877 12.289 1.00 0.00 N ATOM 762 CZ ARG A 50 9.027 -5.157 12.433 1.00 0.00 C ATOM 763 NH1 ARG A 50 8.995 -5.932 11.385 1.00 0.00 N ATOM 764 NH2 ARG A 50 8.843 -5.661 13.623 1.00 0.00 N ATOM 0 H ARG A 50 7.829 -1.382 9.645 1.00 0.00 H new ATOM 0 HA ARG A 50 7.127 -0.863 12.416 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.698 0.140 11.202 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.465 -0.805 12.659 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.540 -1.789 9.782 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.567 -2.273 11.117 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.609 -2.755 11.476 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.431 -3.773 10.310 1.00 0.00 H new ATOM 0 HE ARG A 50 9.858 -3.387 12.938 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.138 -5.538 10.455 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.827 -6.932 11.495 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.867 -5.055 14.443 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.675 -6.661 13.733 1.00 0.00 H new ATOM 778 N LYS A 51 7.350 1.689 10.416 1.00 0.00 N ATOM 779 CA LYS A 51 7.142 3.166 10.356 1.00 0.00 C ATOM 780 C LYS A 51 5.871 3.582 11.103 1.00 0.00 C ATOM 781 O LYS A 51 5.872 4.536 11.856 1.00 0.00 O ATOM 782 CB LYS A 51 7.006 3.484 8.867 1.00 0.00 C ATOM 783 CG LYS A 51 6.568 4.940 8.694 1.00 0.00 C ATOM 784 CD LYS A 51 7.692 5.867 9.160 1.00 0.00 C ATOM 785 CE LYS A 51 8.300 6.575 7.947 1.00 0.00 C ATOM 786 NZ LYS A 51 9.559 5.834 7.662 1.00 0.00 N ATOM 0 H LYS A 51 7.442 1.228 9.511 1.00 0.00 H new ATOM 0 HA LYS A 51 7.965 3.704 10.827 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.956 3.316 8.360 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.277 2.817 8.407 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.328 5.138 7.649 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.662 5.130 9.270 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.304 6.600 9.867 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.458 5.294 9.683 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.623 6.547 7.093 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.499 7.625 8.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.035 6.261 6.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.186 5.884 8.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.337 4.839 7.455 1.00 0.00 H new ATOM 800 N GLY A 52 4.783 2.895 10.892 1.00 0.00 N ATOM 801 CA GLY A 52 3.519 3.284 11.584 1.00 0.00 C ATOM 802 C GLY A 52 2.922 4.502 10.872 1.00 0.00 C ATOM 803 O GLY A 52 1.771 4.505 10.483 1.00 0.00 O ATOM 0 H GLY A 52 4.712 2.086 10.275 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.811 2.455 11.572 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.718 3.518 12.630 1.00 0.00 H new ATOM 807 N GLN A 53 3.703 5.534 10.689 1.00 0.00 N ATOM 808 CA GLN A 53 3.194 6.746 9.990 1.00 0.00 C ATOM 809 C GLN A 53 3.599 6.679 8.520 1.00 0.00 C ATOM 810 O GLN A 53 3.818 7.686 7.878 1.00 0.00 O ATOM 811 CB GLN A 53 3.879 7.940 10.668 1.00 0.00 C ATOM 812 CG GLN A 53 3.984 7.707 12.177 1.00 0.00 C ATOM 813 CD GLN A 53 2.601 7.848 12.817 1.00 0.00 C ATOM 814 OE1 GLN A 53 1.665 7.181 12.424 1.00 0.00 O ATOM 815 NE2 GLN A 53 2.431 8.697 13.793 1.00 0.00 N ATOM 0 H GLN A 53 4.674 5.588 10.995 1.00 0.00 H new ATOM 0 HA GLN A 53 2.108 6.828 10.043 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.873 8.085 10.246 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.314 8.851 10.473 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.387 6.714 12.374 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.675 8.425 12.619 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.216 9.258 14.124 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.513 8.800 14.225 1.00 0.00 H new ATOM 824 N PHE A 54 3.710 5.494 7.984 1.00 0.00 N ATOM 825 CA PHE A 54 4.112 5.366 6.557 1.00 0.00 C ATOM 826 C PHE A 54 2.920 5.660 5.639 1.00 0.00 C ATOM 827 O PHE A 54 3.000 5.511 4.441 1.00 0.00 O ATOM 828 CB PHE A 54 4.613 3.928 6.379 1.00 0.00 C ATOM 829 CG PHE A 54 3.494 2.947 6.601 1.00 0.00 C ATOM 830 CD1 PHE A 54 3.191 2.508 7.893 1.00 0.00 C ATOM 831 CD2 PHE A 54 2.773 2.463 5.512 1.00 0.00 C ATOM 832 CE1 PHE A 54 2.163 1.586 8.093 1.00 0.00 C ATOM 833 CE2 PHE A 54 1.746 1.538 5.709 1.00 0.00 C ATOM 834 CZ PHE A 54 1.439 1.099 7.000 1.00 0.00 C ATOM 0 H PHE A 54 3.540 4.614 8.471 1.00 0.00 H new ATOM 0 HA PHE A 54 4.892 6.080 6.293 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.022 3.801 5.377 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.423 3.730 7.081 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.752 2.882 8.736 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.009 2.803 4.515 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.927 1.249 9.091 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.189 1.162 4.864 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.644 0.385 7.153 1.00 0.00 H new ATOM 844 N ASP A 55 1.825 6.105 6.196 1.00 0.00 N ATOM 845 CA ASP A 55 0.630 6.456 5.369 1.00 0.00 C ATOM 846 C ASP A 55 -0.065 5.225 4.779 1.00 0.00 C ATOM 847 O ASP A 55 -1.205 4.957 5.088 1.00 0.00 O ATOM 848 CB ASP A 55 1.165 7.341 4.244 1.00 0.00 C ATOM 849 CG ASP A 55 0.020 8.168 3.654 1.00 0.00 C ATOM 850 OD1 ASP A 55 -0.821 8.612 4.418 1.00 0.00 O ATOM 851 OD2 ASP A 55 0.003 8.340 2.446 1.00 0.00 O ATOM 0 H ASP A 55 1.705 6.242 7.200 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.122 6.952 5.983 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.945 8.000 4.626 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.620 6.725 3.468 1.00 0.00 H new ATOM 856 N ILE A 56 0.582 4.502 3.902 1.00 0.00 N ATOM 857 CA ILE A 56 -0.102 3.324 3.276 1.00 0.00 C ATOM 858 C ILE A 56 0.894 2.228 2.881 1.00 0.00 C ATOM 859 O ILE A 56 2.071 2.477 2.723 1.00 0.00 O ATOM 860 CB ILE A 56 -0.761 3.903 2.031 1.00 0.00 C ATOM 861 CG1 ILE A 56 -1.792 4.957 2.442 1.00 0.00 C ATOM 862 CG2 ILE A 56 -1.440 2.781 1.257 1.00 0.00 C ATOM 863 CD1 ILE A 56 -2.612 5.378 1.221 1.00 0.00 C ATOM 0 H ILE A 56 1.540 4.670 3.594 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.805 2.853 3.963 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.008 4.373 1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.450 4.556 3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.289 5.824 2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.914 3.190 0.364 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.697 2.038 0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.196 2.311 1.886 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.345 6.128 1.516 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.949 5.797 0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.127 4.509 0.811 1.00 0.00 H new ATOM 875 N ALA A 57 0.433 1.007 2.709 1.00 0.00 N ATOM 876 CA ALA A 57 1.378 -0.082 2.323 1.00 0.00 C ATOM 877 C ALA A 57 0.663 -1.140 1.484 1.00 0.00 C ATOM 878 O ALA A 57 -0.352 -1.671 1.881 1.00 0.00 O ATOM 879 CB ALA A 57 1.856 -0.691 3.641 1.00 0.00 C ATOM 0 H ALA A 57 -0.541 0.726 2.818 1.00 0.00 H new ATOM 0 HA ALA A 57 2.205 0.297 1.723 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.556 -1.501 3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.352 0.075 4.237 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.001 -1.082 4.192 1.00 0.00 H new ATOM 885 N ILE A 58 1.178 -1.461 0.330 1.00 0.00 N ATOM 886 CA ILE A 58 0.496 -2.489 -0.501 1.00 0.00 C ATOM 887 C ILE A 58 1.443 -3.637 -0.871 1.00 0.00 C ATOM 888 O ILE A 58 2.136 -3.599 -1.868 1.00 0.00 O ATOM 889 CB ILE A 58 0.020 -1.738 -1.753 1.00 0.00 C ATOM 890 CG1 ILE A 58 -1.198 -0.888 -1.394 1.00 0.00 C ATOM 891 CG2 ILE A 58 -0.376 -2.730 -2.851 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.739 0.364 -0.652 1.00 0.00 C ATOM 0 H ILE A 58 2.028 -1.063 -0.068 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.330 -2.955 0.036 1.00 0.00 H new ATOM 0 HB ILE A 58 0.831 -1.107 -2.116 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.741 -0.611 -2.297 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.885 -1.462 -0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.711 -2.183 -3.732 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.484 -3.346 -3.112 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.183 -3.368 -2.491 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.606 0.973 -0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.215 0.075 0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.068 0.940 -1.290 1.00 0.00 H new ATOM 904 N ILE A 59 1.417 -4.687 -0.092 1.00 0.00 N ATOM 905 CA ILE A 59 2.237 -5.894 -0.401 1.00 0.00 C ATOM 906 C ILE A 59 1.263 -6.885 -1.028 1.00 0.00 C ATOM 907 O ILE A 59 0.912 -7.895 -0.453 1.00 0.00 O ATOM 908 CB ILE A 59 2.765 -6.400 0.947 1.00 0.00 C ATOM 909 CG1 ILE A 59 3.981 -5.571 1.360 1.00 0.00 C ATOM 910 CG2 ILE A 59 3.176 -7.867 0.820 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.943 -5.314 2.867 1.00 0.00 C ATOM 0 H ILE A 59 0.855 -4.759 0.756 1.00 0.00 H new ATOM 0 HA ILE A 59 3.078 -5.724 -1.073 1.00 0.00 H new ATOM 0 HB ILE A 59 1.982 -6.305 1.699 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.898 -6.096 1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.988 -4.624 0.820 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.551 -8.224 1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.313 -8.462 0.523 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.958 -7.962 0.067 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.812 -4.723 3.157 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.033 -4.770 3.121 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.958 -6.265 3.399 1.00 0.00 H new ATOM 923 N ASP A 60 0.771 -6.539 -2.184 1.00 0.00 N ATOM 924 CA ASP A 60 -0.257 -7.377 -2.864 1.00 0.00 C ATOM 925 C ASP A 60 0.208 -8.818 -3.073 1.00 0.00 C ATOM 926 O ASP A 60 1.159 -9.270 -2.474 1.00 0.00 O ATOM 927 CB ASP A 60 -0.548 -6.628 -4.185 1.00 0.00 C ATOM 928 CG ASP A 60 -0.104 -7.424 -5.422 1.00 0.00 C ATOM 929 OD1 ASP A 60 -0.878 -8.247 -5.885 1.00 0.00 O ATOM 930 OD2 ASP A 60 0.988 -7.180 -5.898 1.00 0.00 O ATOM 0 H ASP A 60 1.041 -5.698 -2.695 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.160 -7.493 -2.265 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.616 -6.421 -4.254 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.037 -5.665 -4.173 1.00 0.00 H new ATOM 935 N VAL A 61 -0.511 -9.526 -3.901 1.00 0.00 N ATOM 936 CA VAL A 61 -0.223 -10.956 -4.207 1.00 0.00 C ATOM 937 C VAL A 61 -0.068 -11.795 -2.931 1.00 0.00 C ATOM 938 O VAL A 61 1.003 -12.238 -2.574 1.00 0.00 O ATOM 939 CB VAL A 61 1.046 -10.959 -5.082 1.00 0.00 C ATOM 940 CG1 VAL A 61 2.306 -10.625 -4.272 1.00 0.00 C ATOM 941 CG2 VAL A 61 1.210 -12.340 -5.720 1.00 0.00 C ATOM 0 H VAL A 61 -1.320 -9.154 -4.398 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.052 -11.422 -4.739 1.00 0.00 H new ATOM 0 HB VAL A 61 0.928 -10.190 -5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.175 -10.639 -4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.202 -9.635 -3.829 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.437 -11.364 -3.482 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.106 -12.350 -6.341 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.302 -13.094 -4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.339 -12.562 -6.337 1.00 0.00 H new ATOM 951 N ASN A 62 -1.161 -12.068 -2.270 1.00 0.00 N ATOM 952 CA ASN A 62 -1.097 -12.920 -1.052 1.00 0.00 C ATOM 953 C ASN A 62 -1.791 -14.246 -1.345 1.00 0.00 C ATOM 954 O ASN A 62 -2.731 -14.634 -0.679 1.00 0.00 O ATOM 955 CB ASN A 62 -1.830 -12.155 0.054 1.00 0.00 C ATOM 956 CG ASN A 62 -1.013 -10.931 0.472 1.00 0.00 C ATOM 957 OD1 ASN A 62 -0.594 -10.833 1.606 1.00 0.00 O ATOM 958 ND2 ASN A 62 -0.778 -9.981 -0.391 1.00 0.00 N ATOM 0 H ASN A 62 -2.093 -11.738 -2.522 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.072 -13.133 -0.749 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.813 -11.843 -0.298 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.991 -12.806 0.913 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.243 -9.159 -0.111 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.129 -10.061 -1.345 1.00 0.00 H new ATOM 965 N LEU A 63 -1.332 -14.937 -2.350 1.00 0.00 N ATOM 966 CA LEU A 63 -1.950 -16.237 -2.717 1.00 0.00 C ATOM 967 C LEU A 63 -0.854 -17.242 -3.069 1.00 0.00 C ATOM 968 O LEU A 63 0.310 -16.903 -3.140 1.00 0.00 O ATOM 969 CB LEU A 63 -2.815 -15.932 -3.942 1.00 0.00 C ATOM 970 CG LEU A 63 -4.286 -16.170 -3.600 1.00 0.00 C ATOM 971 CD1 LEU A 63 -4.765 -15.095 -2.623 1.00 0.00 C ATOM 972 CD2 LEU A 63 -5.128 -16.101 -4.877 1.00 0.00 C ATOM 0 H LEU A 63 -0.548 -14.653 -2.937 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.537 -16.668 -1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.666 -14.899 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.518 -16.566 -4.777 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.394 -17.154 -3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.814 -15.266 -2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.169 -15.140 -1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.654 -14.112 -3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.176 -16.271 -4.631 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.017 -15.117 -5.333 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.791 -16.866 -5.577 1.00 0.00 H new ATOM 984 N ASP A 64 -1.210 -18.473 -3.286 1.00 0.00 N ATOM 985 CA ASP A 64 -0.178 -19.489 -3.629 1.00 0.00 C ATOM 986 C ASP A 64 0.948 -19.473 -2.589 1.00 0.00 C ATOM 987 O ASP A 64 2.032 -19.967 -2.829 1.00 0.00 O ATOM 988 CB ASP A 64 0.356 -19.060 -4.997 1.00 0.00 C ATOM 989 CG ASP A 64 -0.238 -19.957 -6.083 1.00 0.00 C ATOM 990 OD1 ASP A 64 -1.379 -20.360 -5.931 1.00 0.00 O ATOM 991 OD2 ASP A 64 0.458 -20.225 -7.050 1.00 0.00 O ATOM 0 H ASP A 64 -2.168 -18.821 -3.241 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.583 -20.501 -3.644 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.097 -18.019 -5.189 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.444 -19.126 -5.011 1.00 0.00 H new ATOM 996 N GLY A 65 0.703 -18.912 -1.434 1.00 0.00 N ATOM 997 CA GLY A 65 1.767 -18.873 -0.391 1.00 0.00 C ATOM 998 C GLY A 65 1.582 -17.652 0.509 1.00 0.00 C ATOM 999 O GLY A 65 2.131 -17.580 1.590 1.00 0.00 O ATOM 0 H GLY A 65 -0.183 -18.482 -1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.733 -19.783 0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.748 -18.839 -0.864 1.00 0.00 H new ATOM 1003 N GLU A 66 0.821 -16.690 0.076 1.00 0.00 N ATOM 1004 CA GLU A 66 0.616 -15.478 0.914 1.00 0.00 C ATOM 1005 C GLU A 66 1.971 -14.872 1.300 1.00 0.00 C ATOM 1006 O GLU A 66 2.314 -14.800 2.464 1.00 0.00 O ATOM 1007 CB GLU A 66 -0.129 -15.977 2.154 1.00 0.00 C ATOM 1008 CG GLU A 66 -1.283 -16.888 1.724 1.00 0.00 C ATOM 1009 CD GLU A 66 -2.607 -16.311 2.228 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -3.050 -15.320 1.671 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -3.156 -16.870 3.164 1.00 0.00 O ATOM 0 H GLU A 66 0.333 -16.689 -0.820 1.00 0.00 H new ATOM 0 HA GLU A 66 0.058 -14.700 0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.554 -16.521 2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.512 -15.132 2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.304 -16.978 0.638 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.136 -17.891 2.124 1.00 0.00 H new ATOM 1018 N PRO A 67 2.701 -14.460 0.296 1.00 0.00 N ATOM 1019 CA PRO A 67 4.041 -13.858 0.515 1.00 0.00 C ATOM 1020 C PRO A 67 3.929 -12.447 1.101 1.00 0.00 C ATOM 1021 O PRO A 67 4.512 -11.508 0.597 1.00 0.00 O ATOM 1022 CB PRO A 67 4.646 -13.810 -0.883 1.00 0.00 C ATOM 1023 CG PRO A 67 3.476 -13.794 -1.814 1.00 0.00 C ATOM 1024 CD PRO A 67 2.349 -14.522 -1.126 1.00 0.00 C ATOM 0 HA PRO A 67 4.642 -14.427 1.224 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.266 -12.923 -1.014 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.284 -14.675 -1.066 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.186 -12.770 -2.049 1.00 0.00 H new ATOM 0 HG3 PRO A 67 3.728 -14.279 -2.757 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.388 -14.045 -1.320 1.00 0.00 H new ATOM 0 HD3 PRO A 67 2.269 -15.552 -1.473 1.00 0.00 H new ATOM 1032 N SER A 68 3.200 -12.292 2.168 1.00 0.00 N ATOM 1033 CA SER A 68 3.070 -10.946 2.792 1.00 0.00 C ATOM 1034 C SER A 68 3.837 -10.921 4.114 1.00 0.00 C ATOM 1035 O SER A 68 3.687 -10.016 4.910 1.00 0.00 O ATOM 1036 CB SER A 68 1.574 -10.773 3.040 1.00 0.00 C ATOM 1037 OG SER A 68 1.137 -9.552 2.459 1.00 0.00 O ATOM 0 H SER A 68 2.687 -13.039 2.636 1.00 0.00 H new ATOM 0 HA SER A 68 3.472 -10.150 2.166 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.024 -11.610 2.610 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.369 -10.773 4.111 1.00 0.00 H new ATOM 0 HG SER A 68 0.268 -9.688 2.027 1.00 0.00 H new ATOM 1043 N TYR A 69 4.653 -11.923 4.346 1.00 0.00 N ATOM 1044 CA TYR A 69 5.440 -12.005 5.613 1.00 0.00 C ATOM 1045 C TYR A 69 4.545 -11.660 6.796 1.00 0.00 C ATOM 1046 O TYR A 69 3.371 -11.401 6.635 1.00 0.00 O ATOM 1047 CB TYR A 69 6.597 -10.988 5.512 1.00 0.00 C ATOM 1048 CG TYR A 69 6.519 -10.165 4.246 1.00 0.00 C ATOM 1049 CD1 TYR A 69 7.096 -10.634 3.063 1.00 0.00 C ATOM 1050 CD2 TYR A 69 5.878 -8.922 4.266 1.00 0.00 C ATOM 1051 CE1 TYR A 69 7.029 -9.856 1.900 1.00 0.00 C ATOM 1052 CE2 TYR A 69 5.808 -8.147 3.108 1.00 0.00 C ATOM 1053 CZ TYR A 69 6.386 -8.612 1.923 1.00 0.00 C ATOM 1054 OH TYR A 69 6.320 -7.847 0.776 1.00 0.00 O ATOM 0 H TYR A 69 4.807 -12.697 3.700 1.00 0.00 H new ATOM 0 HA TYR A 69 5.831 -13.012 5.760 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.574 -10.325 6.377 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.549 -11.518 5.542 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.592 -11.593 3.045 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.435 -8.560 5.182 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.474 -10.216 0.984 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.308 -7.190 3.127 1.00 0.00 H new ATOM 0 HH TYR A 69 6.309 -8.434 -0.009 1.00 0.00 H new ATOM 1064 N PRO A 70 5.126 -11.655 7.956 1.00 0.00 N ATOM 1065 CA PRO A 70 4.354 -11.308 9.158 1.00 0.00 C ATOM 1066 C PRO A 70 4.171 -9.791 9.216 1.00 0.00 C ATOM 1067 O PRO A 70 3.414 -9.277 10.008 1.00 0.00 O ATOM 1068 CB PRO A 70 5.231 -11.796 10.302 1.00 0.00 C ATOM 1069 CG PRO A 70 6.625 -11.800 9.756 1.00 0.00 C ATOM 1070 CD PRO A 70 6.527 -11.974 8.261 1.00 0.00 C ATOM 0 HA PRO A 70 3.358 -11.750 9.186 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.150 -11.139 11.168 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.933 -12.792 10.629 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.135 -10.868 10.001 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.208 -12.608 10.198 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.211 -11.307 7.736 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.779 -12.991 7.960 1.00 0.00 H new ATOM 1078 N VAL A 71 4.863 -9.072 8.372 1.00 0.00 N ATOM 1079 CA VAL A 71 4.734 -7.588 8.377 1.00 0.00 C ATOM 1080 C VAL A 71 3.337 -7.190 7.886 1.00 0.00 C ATOM 1081 O VAL A 71 2.515 -6.710 8.635 1.00 0.00 O ATOM 1082 CB VAL A 71 5.818 -7.128 7.393 1.00 0.00 C ATOM 1083 CG1 VAL A 71 5.360 -5.898 6.604 1.00 0.00 C ATOM 1084 CG2 VAL A 71 7.095 -6.786 8.149 1.00 0.00 C ATOM 0 H VAL A 71 5.511 -9.449 7.681 1.00 0.00 H new ATOM 0 HA VAL A 71 4.855 -7.141 9.364 1.00 0.00 H new ATOM 0 HB VAL A 71 6.005 -7.944 6.695 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.148 -5.594 5.915 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.459 -6.142 6.041 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.147 -5.082 7.294 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.859 -6.460 7.443 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.893 -5.985 8.861 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.448 -7.667 8.685 1.00 0.00 H new ATOM 1094 N ALA A 72 3.080 -7.410 6.628 1.00 0.00 N ATOM 1095 CA ALA A 72 1.756 -7.079 6.037 1.00 0.00 C ATOM 1096 C ALA A 72 0.668 -7.924 6.680 1.00 0.00 C ATOM 1097 O ALA A 72 -0.350 -7.423 7.115 1.00 0.00 O ATOM 1098 CB ALA A 72 1.892 -7.465 4.573 1.00 0.00 C ATOM 0 H ALA A 72 3.747 -7.814 5.971 1.00 0.00 H new ATOM 0 HA ALA A 72 1.488 -6.032 6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.957 -7.255 4.053 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.698 -6.889 4.118 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.119 -8.528 4.497 1.00 0.00 H new ATOM 1104 N ASP A 73 0.870 -9.209 6.738 1.00 0.00 N ATOM 1105 CA ASP A 73 -0.161 -10.079 7.347 1.00 0.00 C ATOM 1106 C ASP A 73 -0.588 -9.489 8.684 1.00 0.00 C ATOM 1107 O ASP A 73 -1.751 -9.231 8.924 1.00 0.00 O ATOM 1108 CB ASP A 73 0.517 -11.424 7.546 1.00 0.00 C ATOM 1109 CG ASP A 73 0.291 -12.305 6.316 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -0.848 -12.412 5.889 1.00 0.00 O ATOM 1111 OD2 ASP A 73 1.259 -12.856 5.821 1.00 0.00 O ATOM 0 H ASP A 73 1.701 -9.689 6.391 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.054 -10.172 6.728 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.585 -11.282 7.712 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.119 -11.915 8.434 1.00 0.00 H new ATOM 1116 N ILE A 74 0.356 -9.248 9.548 1.00 0.00 N ATOM 1117 CA ILE A 74 0.014 -8.643 10.863 1.00 0.00 C ATOM 1118 C ILE A 74 -0.649 -7.297 10.603 1.00 0.00 C ATOM 1119 O ILE A 74 -1.696 -6.981 11.132 1.00 0.00 O ATOM 1120 CB ILE A 74 1.347 -8.444 11.581 1.00 0.00 C ATOM 1121 CG1 ILE A 74 1.893 -9.796 12.043 1.00 0.00 C ATOM 1122 CG2 ILE A 74 1.143 -7.537 12.797 1.00 0.00 C ATOM 1123 CD1 ILE A 74 3.332 -9.620 12.531 1.00 0.00 C ATOM 0 H ILE A 74 1.346 -9.443 9.401 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.663 -9.259 11.456 1.00 0.00 H new ATOM 0 HB ILE A 74 2.058 -7.982 10.895 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.272 -10.198 12.844 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.860 -10.514 11.223 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.095 -7.395 13.309 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.760 -6.571 12.470 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.429 -7.998 13.479 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.724 -10.582 12.861 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.948 -9.237 11.717 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.351 -8.916 13.363 1.00 0.00 H new ATOM 1135 N LEU A 75 -0.038 -6.512 9.766 1.00 0.00 N ATOM 1136 CA LEU A 75 -0.608 -5.188 9.423 1.00 0.00 C ATOM 1137 C LEU A 75 -2.101 -5.354 9.104 1.00 0.00 C ATOM 1138 O LEU A 75 -2.909 -4.495 9.393 1.00 0.00 O ATOM 1139 CB LEU A 75 0.206 -4.749 8.192 1.00 0.00 C ATOM 1140 CG LEU A 75 0.643 -3.289 8.344 1.00 0.00 C ATOM 1141 CD1 LEU A 75 2.124 -3.240 8.725 1.00 0.00 C ATOM 1142 CD2 LEU A 75 0.442 -2.548 7.019 1.00 0.00 C ATOM 0 H LEU A 75 0.842 -6.735 9.301 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.547 -4.450 10.222 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.081 -5.389 8.078 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.394 -4.865 7.289 1.00 0.00 H new ATOM 0 HG LEU A 75 0.044 -2.814 9.121 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.438 -2.202 8.834 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.275 -3.765 9.668 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.716 -3.718 7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.754 -1.510 7.132 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.039 -3.024 6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.611 -2.582 6.739 1.00 0.00 H new ATOM 1154 N ALA A 76 -2.471 -6.467 8.520 1.00 0.00 N ATOM 1155 CA ALA A 76 -3.905 -6.705 8.178 1.00 0.00 C ATOM 1156 C ALA A 76 -4.766 -6.907 9.431 1.00 0.00 C ATOM 1157 O ALA A 76 -5.621 -6.101 9.739 1.00 0.00 O ATOM 1158 CB ALA A 76 -3.897 -7.974 7.326 1.00 0.00 C ATOM 0 H ALA A 76 -1.837 -7.224 8.265 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.336 -5.850 7.657 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.917 -8.221 7.031 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.291 -7.810 6.435 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.477 -8.798 7.904 1.00 0.00 H new ATOM 1164 N GLU A 77 -4.563 -7.979 10.150 1.00 0.00 N ATOM 1165 CA GLU A 77 -5.393 -8.223 11.370 1.00 0.00 C ATOM 1166 C GLU A 77 -5.503 -6.949 12.212 1.00 0.00 C ATOM 1167 O GLU A 77 -6.414 -6.793 13.001 1.00 0.00 O ATOM 1168 CB GLU A 77 -4.666 -9.327 12.144 1.00 0.00 C ATOM 1169 CG GLU A 77 -3.406 -8.761 12.804 1.00 0.00 C ATOM 1170 CD GLU A 77 -2.868 -9.767 13.826 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -3.610 -10.121 14.727 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -1.722 -10.165 13.690 1.00 0.00 O ATOM 0 H GLU A 77 -3.863 -8.693 9.949 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.412 -8.515 11.115 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.327 -9.746 12.903 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.399 -10.140 11.469 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.648 -8.554 12.048 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.634 -7.815 13.295 1.00 0.00 H new ATOM 1179 N ARG A 78 -4.584 -6.037 12.054 1.00 0.00 N ATOM 1180 CA ARG A 78 -4.633 -4.782 12.842 1.00 0.00 C ATOM 1181 C ARG A 78 -3.977 -3.647 12.059 1.00 0.00 C ATOM 1182 O ARG A 78 -2.941 -3.139 12.443 1.00 0.00 O ATOM 1183 CB ARG A 78 -3.817 -5.084 14.090 1.00 0.00 C ATOM 1184 CG ARG A 78 -2.364 -5.323 13.677 1.00 0.00 C ATOM 1185 CD ARG A 78 -1.730 -6.356 14.610 1.00 0.00 C ATOM 1186 NE ARG A 78 -0.979 -5.559 15.618 1.00 0.00 N ATOM 1187 CZ ARG A 78 -0.022 -6.119 16.305 1.00 0.00 C ATOM 1188 NH1 ARG A 78 1.193 -6.139 15.830 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -0.282 -6.661 17.465 1.00 0.00 N ATOM 0 H ARG A 78 -3.798 -6.111 11.408 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.653 -4.474 13.071 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.879 -4.253 14.793 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.215 -5.962 14.599 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.321 -5.674 12.646 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.805 -4.388 13.719 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.490 -6.977 15.085 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.066 -7.026 14.063 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.212 -4.578 15.771 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.393 -5.717 14.923 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.943 -6.576 16.366 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.233 -6.646 17.833 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.466 -7.099 18.002 1.00 0.00 H new ATOM 1203 N ASN A 79 -4.550 -3.247 10.963 1.00 0.00 N ATOM 1204 CA ASN A 79 -3.928 -2.157 10.177 1.00 0.00 C ATOM 1205 C ASN A 79 -4.380 -0.786 10.674 1.00 0.00 C ATOM 1206 O ASN A 79 -5.448 -0.624 11.231 1.00 0.00 O ATOM 1207 CB ASN A 79 -4.377 -2.377 8.742 1.00 0.00 C ATOM 1208 CG ASN A 79 -3.134 -2.472 7.859 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -2.359 -1.539 7.779 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -2.910 -3.565 7.185 1.00 0.00 N ATOM 0 H ASN A 79 -5.416 -3.626 10.581 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.842 -2.175 10.271 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.968 -3.290 8.665 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.014 -1.556 8.413 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.084 -3.637 6.590 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.560 -4.348 7.252 1.00 0.00 H new ATOM 1217 N VAL A 80 -3.562 0.198 10.452 1.00 0.00 N ATOM 1218 CA VAL A 80 -3.896 1.590 10.872 1.00 0.00 C ATOM 1219 C VAL A 80 -4.278 2.374 9.599 1.00 0.00 C ATOM 1220 O VAL A 80 -4.793 1.768 8.684 1.00 0.00 O ATOM 1221 CB VAL A 80 -2.605 2.077 11.537 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -2.170 1.061 12.597 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -1.498 2.205 10.484 1.00 0.00 C ATOM 0 H VAL A 80 -2.659 0.099 9.989 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.734 1.700 11.560 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.781 3.048 12.000 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.251 1.403 13.073 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.953 0.961 13.349 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.996 0.094 12.125 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.581 2.552 10.960 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.322 1.234 10.021 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.803 2.921 9.720 1.00 0.00 H new ATOM 1233 N PRO A 81 -4.034 3.670 9.518 1.00 0.00 N ATOM 1234 CA PRO A 81 -4.404 4.372 8.269 1.00 0.00 C ATOM 1235 C PRO A 81 -3.473 3.917 7.152 1.00 0.00 C ATOM 1236 O PRO A 81 -2.279 4.143 7.181 1.00 0.00 O ATOM 1237 CB PRO A 81 -4.239 5.846 8.598 1.00 0.00 C ATOM 1238 CG PRO A 81 -3.273 5.885 9.735 1.00 0.00 C ATOM 1239 CD PRO A 81 -3.425 4.590 10.497 1.00 0.00 C ATOM 0 HA PRO A 81 -5.418 4.166 7.927 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.860 6.401 7.740 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.192 6.297 8.875 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.253 5.998 9.369 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.476 6.738 10.383 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.463 4.219 10.849 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.059 4.715 11.375 1.00 0.00 H new ATOM 1247 N PHE A 82 -4.017 3.240 6.187 1.00 0.00 N ATOM 1248 CA PHE A 82 -3.183 2.713 5.075 1.00 0.00 C ATOM 1249 C PHE A 82 -4.081 2.183 3.946 1.00 0.00 C ATOM 1250 O PHE A 82 -5.172 2.664 3.714 1.00 0.00 O ATOM 1251 CB PHE A 82 -2.393 1.564 5.725 1.00 0.00 C ATOM 1252 CG PHE A 82 -3.232 0.303 5.732 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -4.532 0.321 6.258 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.717 -0.875 5.184 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -5.311 -0.843 6.236 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.498 -2.034 5.154 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.795 -2.020 5.682 1.00 0.00 C ATOM 0 H PHE A 82 -5.012 3.026 6.119 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.536 3.468 4.629 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.467 1.392 5.177 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.115 1.833 6.744 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.932 1.231 6.680 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.714 -0.890 4.783 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.310 -0.832 6.647 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.101 -2.941 4.723 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.397 -2.917 5.662 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.623 1.167 3.277 1.00 0.00 N ATOM 1268 CA ILE A 83 -4.411 0.534 2.187 1.00 0.00 C ATOM 1269 C ILE A 83 -3.703 -0.758 1.808 1.00 0.00 C ATOM 1270 O ILE A 83 -2.500 -0.880 1.982 1.00 0.00 O ATOM 1271 CB ILE A 83 -4.431 1.537 1.034 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.780 2.258 1.014 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -4.224 0.830 -0.315 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -5.557 3.756 0.810 1.00 0.00 C ATOM 0 H ILE A 83 -2.713 0.738 3.444 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.436 0.291 2.469 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.620 2.249 1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.404 1.861 0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.311 2.083 1.950 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.243 1.566 -1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.261 0.318 -0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.021 0.103 -0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.519 4.268 0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.949 4.148 1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.044 3.922 -0.137 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.432 -1.722 1.320 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.806 -3.019 0.957 1.00 0.00 C ATOM 1288 C PHE A 84 -4.638 -3.742 -0.106 1.00 0.00 C ATOM 1289 O PHE A 84 -5.787 -3.406 -0.375 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.814 -3.796 2.265 1.00 0.00 C ATOM 1291 CG PHE A 84 -2.624 -4.731 2.337 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -2.635 -5.943 1.629 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -1.514 -4.392 3.123 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -1.535 -6.811 1.709 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -0.416 -5.261 3.200 1.00 0.00 C ATOM 1296 CZ PHE A 84 -0.428 -6.467 2.494 1.00 0.00 C ATOM 0 H PHE A 84 -5.437 -1.665 1.157 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.807 -2.906 0.535 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.790 -3.103 3.106 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.738 -4.368 2.349 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.489 -6.207 1.023 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.504 -3.461 3.670 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.543 -7.744 1.165 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.439 -4.998 3.805 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.418 -7.135 2.554 1.00 0.00 H new ATOM 1306 N ALA A 85 -4.073 -4.733 -0.722 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.834 -5.453 -1.764 1.00 0.00 C ATOM 1308 C ALA A 85 -4.139 -6.757 -2.140 1.00 0.00 C ATOM 1309 O ALA A 85 -2.961 -6.904 -1.943 1.00 0.00 O ATOM 1310 CB ALA A 85 -4.847 -4.500 -2.956 1.00 0.00 C ATOM 0 H ALA A 85 -3.126 -5.072 -0.551 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.836 -5.720 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.394 -4.956 -3.781 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.332 -3.567 -2.670 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.823 -4.295 -3.269 1.00 0.00 H new ATOM 1316 N THR A 86 -4.858 -7.702 -2.686 1.00 0.00 N ATOM 1317 CA THR A 86 -4.209 -8.986 -3.086 1.00 0.00 C ATOM 1318 C THR A 86 -5.212 -9.913 -3.784 1.00 0.00 C ATOM 1319 O THR A 86 -6.276 -9.499 -4.198 1.00 0.00 O ATOM 1320 CB THR A 86 -3.695 -9.615 -1.791 1.00 0.00 C ATOM 1321 OG1 THR A 86 -3.430 -10.989 -2.019 1.00 0.00 O ATOM 1322 CG2 THR A 86 -4.741 -9.469 -0.683 1.00 0.00 C ATOM 0 H THR A 86 -5.859 -7.642 -2.871 1.00 0.00 H new ATOM 0 HA THR A 86 -3.399 -8.818 -3.796 1.00 0.00 H new ATOM 0 HB THR A 86 -2.782 -9.108 -1.479 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.135 -11.531 -1.608 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.364 -9.921 0.235 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.943 -8.412 -0.511 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.661 -9.970 -0.983 1.00 0.00 H new ATOM 1330 N GLY A 87 -4.864 -11.162 -3.934 1.00 0.00 N ATOM 1331 CA GLY A 87 -5.770 -12.126 -4.623 1.00 0.00 C ATOM 1332 C GLY A 87 -7.224 -11.952 -4.167 1.00 0.00 C ATOM 1333 O GLY A 87 -8.130 -11.942 -4.977 1.00 0.00 O ATOM 0 H GLY A 87 -3.984 -11.559 -3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.706 -11.981 -5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.442 -13.145 -4.418 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.469 -11.838 -2.889 1.00 0.00 N ATOM 1338 CA TYR A 88 -8.885 -11.698 -2.430 1.00 0.00 C ATOM 1339 C TYR A 88 -9.128 -10.363 -1.730 1.00 0.00 C ATOM 1340 O TYR A 88 -10.026 -10.234 -0.923 1.00 0.00 O ATOM 1341 CB TYR A 88 -9.134 -12.875 -1.473 1.00 0.00 C ATOM 1342 CG TYR A 88 -8.176 -12.879 -0.287 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -7.277 -11.822 -0.051 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -8.199 -13.971 0.591 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -6.416 -11.869 1.052 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -7.336 -14.013 1.691 1.00 0.00 C ATOM 1347 CZ TYR A 88 -6.446 -12.962 1.923 1.00 0.00 C ATOM 1348 OH TYR A 88 -5.593 -13.006 3.006 1.00 0.00 O ATOM 0 H TYR A 88 -6.764 -11.835 -2.152 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.570 -11.714 -3.277 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -10.160 -12.830 -1.107 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.032 -13.812 -2.021 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.251 -10.975 -0.721 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.887 -14.785 0.417 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -5.726 -11.058 1.231 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -7.358 -14.859 2.362 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.745 -13.833 3.509 1.00 0.00 H new ATOM 1358 N GLY A 89 -8.345 -9.368 -2.029 1.00 0.00 N ATOM 1359 CA GLY A 89 -8.553 -8.053 -1.370 1.00 0.00 C ATOM 1360 C GLY A 89 -7.644 -7.950 -0.148 1.00 0.00 C ATOM 1361 O GLY A 89 -6.516 -7.509 -0.230 1.00 0.00 O ATOM 0 H GLY A 89 -7.575 -9.407 -2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.335 -7.245 -2.068 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.596 -7.944 -1.072 1.00 0.00 H new ATOM 1365 N SER A 90 -8.138 -8.370 0.982 1.00 0.00 N ATOM 1366 CA SER A 90 -7.331 -8.320 2.240 1.00 0.00 C ATOM 1367 C SER A 90 -8.029 -9.114 3.352 1.00 0.00 C ATOM 1368 O SER A 90 -7.796 -8.887 4.522 1.00 0.00 O ATOM 1369 CB SER A 90 -7.268 -6.840 2.626 1.00 0.00 C ATOM 1370 OG SER A 90 -6.941 -6.060 1.487 1.00 0.00 O ATOM 0 H SER A 90 -9.078 -8.751 1.092 1.00 0.00 H new ATOM 0 HA SER A 90 -6.340 -8.752 2.099 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.227 -6.520 3.034 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.523 -6.690 3.407 1.00 0.00 H new ATOM 0 HG SER A 90 -6.284 -6.539 0.940 1.00 0.00 H new ATOM 1376 N LYS A 91 -8.884 -10.037 3.001 1.00 0.00 N ATOM 1377 CA LYS A 91 -9.593 -10.834 4.045 1.00 0.00 C ATOM 1378 C LYS A 91 -10.401 -9.904 4.969 1.00 0.00 C ATOM 1379 O LYS A 91 -10.865 -10.307 6.017 1.00 0.00 O ATOM 1380 CB LYS A 91 -8.466 -11.576 4.795 1.00 0.00 C ATOM 1381 CG LYS A 91 -8.537 -11.323 6.308 1.00 0.00 C ATOM 1382 CD LYS A 91 -7.257 -11.836 6.972 1.00 0.00 C ATOM 1383 CE LYS A 91 -6.349 -10.653 7.313 1.00 0.00 C ATOM 1384 NZ LYS A 91 -5.422 -10.536 6.154 1.00 0.00 N ATOM 0 H LYS A 91 -9.122 -10.274 2.038 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.319 -11.535 3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.540 -12.646 4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.498 -11.249 4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.659 -10.258 6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.406 -11.827 6.731 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.502 -12.393 7.877 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.739 -12.525 6.304 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.926 -9.739 7.451 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.803 -10.828 8.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.439 -10.553 6.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.578 -11.332 5.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.601 -9.641 5.655 1.00 0.00 H new ATOM 1398 N GLY A 92 -10.576 -8.667 4.587 1.00 0.00 N ATOM 1399 CA GLY A 92 -11.355 -7.726 5.445 1.00 0.00 C ATOM 1400 C GLY A 92 -10.397 -6.891 6.299 1.00 0.00 C ATOM 1401 O GLY A 92 -10.556 -6.778 7.498 1.00 0.00 O ATOM 0 H GLY A 92 -10.215 -8.268 3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.966 -7.072 4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -12.037 -8.284 6.087 1.00 0.00 H new ATOM 1405 N LEU A 93 -9.404 -6.304 5.692 1.00 0.00 N ATOM 1406 CA LEU A 93 -8.440 -5.476 6.471 1.00 0.00 C ATOM 1407 C LEU A 93 -9.189 -4.414 7.287 1.00 0.00 C ATOM 1408 O LEU A 93 -10.231 -3.933 6.890 1.00 0.00 O ATOM 1409 CB LEU A 93 -7.517 -4.843 5.415 1.00 0.00 C ATOM 1410 CG LEU A 93 -8.034 -3.464 4.979 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -7.093 -2.881 3.922 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -9.436 -3.600 4.382 1.00 0.00 C ATOM 0 H LEU A 93 -9.218 -6.361 4.691 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.870 -6.060 7.193 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.510 -4.745 5.820 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.449 -5.499 4.548 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.072 -2.805 5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.457 -1.902 3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.092 -2.779 4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.058 -3.546 3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.797 -2.619 4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.400 -4.261 3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.111 -4.017 5.129 1.00 0.00 H new ATOM 1424 N ASP A 94 -8.669 -4.048 8.426 1.00 0.00 N ATOM 1425 CA ASP A 94 -9.356 -3.019 9.261 1.00 0.00 C ATOM 1426 C ASP A 94 -8.566 -1.711 9.237 1.00 0.00 C ATOM 1427 O ASP A 94 -7.358 -1.711 9.105 1.00 0.00 O ATOM 1428 CB ASP A 94 -9.395 -3.605 10.673 1.00 0.00 C ATOM 1429 CG ASP A 94 -8.014 -4.153 11.038 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -7.730 -5.280 10.667 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -7.266 -3.437 11.683 1.00 0.00 O ATOM 0 H ASP A 94 -7.800 -4.415 8.815 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.357 -2.791 8.895 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.694 -2.838 11.388 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.139 -4.400 10.728 1.00 0.00 H new ATOM 1436 N THR A 95 -9.235 -0.597 9.365 1.00 0.00 N ATOM 1437 CA THR A 95 -8.514 0.709 9.347 1.00 0.00 C ATOM 1438 C THR A 95 -9.502 1.874 9.304 1.00 0.00 C ATOM 1439 O THR A 95 -10.703 1.690 9.331 1.00 0.00 O ATOM 1440 CB THR A 95 -7.685 0.692 8.062 1.00 0.00 C ATOM 1441 OG1 THR A 95 -7.271 2.013 7.753 1.00 0.00 O ATOM 1442 CG2 THR A 95 -8.525 0.135 6.910 1.00 0.00 C ATOM 0 H THR A 95 -10.246 -0.534 9.481 1.00 0.00 H new ATOM 0 HA THR A 95 -7.902 0.838 10.239 1.00 0.00 H new ATOM 0 HB THR A 95 -6.810 0.058 8.205 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.409 2.195 8.183 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.930 0.125 5.997 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.841 -0.881 7.148 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.404 0.763 6.763 1.00 0.00 H new ATOM 1450 N ARG A 96 -8.995 3.072 9.220 1.00 0.00 N ATOM 1451 CA ARG A 96 -9.885 4.262 9.155 1.00 0.00 C ATOM 1452 C ARG A 96 -10.442 4.408 7.738 1.00 0.00 C ATOM 1453 O ARG A 96 -11.268 5.258 7.468 1.00 0.00 O ATOM 1454 CB ARG A 96 -8.981 5.449 9.495 1.00 0.00 C ATOM 1455 CG ARG A 96 -8.588 5.387 10.974 1.00 0.00 C ATOM 1456 CD ARG A 96 -7.075 5.575 11.111 1.00 0.00 C ATOM 1457 NE ARG A 96 -6.751 5.063 12.471 1.00 0.00 N ATOM 1458 CZ ARG A 96 -5.641 5.418 13.058 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -5.315 6.680 13.134 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -4.859 4.511 13.574 1.00 0.00 N ATOM 0 H ARG A 96 -7.996 3.278 9.193 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.734 4.189 9.835 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -8.088 5.430 8.870 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.498 6.385 9.284 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -9.113 6.161 11.533 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.886 4.429 11.400 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.536 5.022 10.341 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.795 6.623 11.006 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.398 4.433 12.945 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.928 7.390 12.734 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -4.447 6.956 13.593 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.115 3.525 13.518 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.991 4.787 14.033 1.00 0.00 H new ATOM 1474 N TYR A 97 -9.990 3.589 6.825 1.00 0.00 N ATOM 1475 CA TYR A 97 -10.495 3.697 5.426 1.00 0.00 C ATOM 1476 C TYR A 97 -11.864 3.024 5.297 1.00 0.00 C ATOM 1477 O TYR A 97 -12.610 3.304 4.383 1.00 0.00 O ATOM 1478 CB TYR A 97 -9.450 2.988 4.569 1.00 0.00 C ATOM 1479 CG TYR A 97 -8.232 3.874 4.446 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -7.404 4.083 5.556 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -7.930 4.489 3.225 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -6.276 4.903 5.445 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -6.802 5.309 3.115 1.00 0.00 C ATOM 1484 CZ TYR A 97 -5.974 5.517 4.225 1.00 0.00 C ATOM 1485 OH TYR A 97 -4.861 6.326 4.114 1.00 0.00 O ATOM 0 H TYR A 97 -9.299 2.856 6.986 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.632 4.733 5.116 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.178 2.034 5.020 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.858 2.769 3.582 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.637 3.611 6.499 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.568 4.330 2.368 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -5.638 5.062 6.302 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -6.569 5.782 2.173 1.00 0.00 H new ATOM 0 HH TYR A 97 -4.798 6.672 3.199 1.00 0.00 H new ATOM 1495 N SER A 98 -12.196 2.143 6.207 1.00 0.00 N ATOM 1496 CA SER A 98 -13.514 1.446 6.161 1.00 0.00 C ATOM 1497 C SER A 98 -13.483 0.321 5.132 1.00 0.00 C ATOM 1498 O SER A 98 -14.503 -0.054 4.593 1.00 0.00 O ATOM 1499 CB SER A 98 -14.549 2.507 5.777 1.00 0.00 C ATOM 1500 OG SER A 98 -14.162 3.759 6.326 1.00 0.00 O ATOM 0 H SER A 98 -11.600 1.875 6.990 1.00 0.00 H new ATOM 0 HA SER A 98 -13.759 0.992 7.121 1.00 0.00 H new ATOM 0 HB2 SER A 98 -14.626 2.581 4.692 1.00 0.00 H new ATOM 0 HB3 SER A 98 -15.534 2.223 6.148 1.00 0.00 H new ATOM 0 HG SER A 98 -14.821 4.441 6.081 1.00 0.00 H new ATOM 1506 N ASN A 99 -12.315 -0.223 4.872 1.00 0.00 N ATOM 1507 CA ASN A 99 -12.176 -1.360 3.899 1.00 0.00 C ATOM 1508 C ASN A 99 -12.480 -0.956 2.442 1.00 0.00 C ATOM 1509 O ASN A 99 -11.995 -1.577 1.518 1.00 0.00 O ATOM 1510 CB ASN A 99 -13.173 -2.406 4.393 1.00 0.00 C ATOM 1511 CG ASN A 99 -12.678 -2.991 5.710 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -12.632 -2.224 6.761 1.00 0.00 O flip ATOM 1513 ND2 ASN A 99 -12.332 -4.153 5.785 1.00 0.00 N flip ATOM 0 H ASN A 99 -11.439 0.077 5.299 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.149 -1.724 3.871 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.155 -1.953 4.529 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.286 -3.196 3.651 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -12.370 -4.751 4.959 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -12.004 -4.531 6.674 1.00 0.00 H new ATOM 1520 N ILE A 100 -13.283 0.050 2.224 1.00 0.00 N ATOM 1521 CA ILE A 100 -13.619 0.459 0.815 1.00 0.00 C ATOM 1522 C ILE A 100 -12.421 0.293 -0.145 1.00 0.00 C ATOM 1523 O ILE A 100 -12.567 -0.298 -1.195 1.00 0.00 O ATOM 1524 CB ILE A 100 -14.071 1.938 0.844 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -13.702 2.635 2.163 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -15.587 2.006 0.660 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -13.303 4.080 1.865 1.00 0.00 C ATOM 0 H ILE A 100 -13.724 0.610 2.954 1.00 0.00 H new ATOM 0 HA ILE A 100 -14.412 -0.188 0.441 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.554 2.454 0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -14.547 2.612 2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.880 2.110 2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -15.910 3.047 0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -15.858 1.560 -0.297 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -16.076 1.459 1.466 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -13.039 4.584 2.795 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.446 4.089 1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -14.139 4.599 1.396 1.00 0.00 H new ATOM 1539 N PRO A 101 -11.279 0.829 0.225 1.00 0.00 N ATOM 1540 CA PRO A 101 -10.071 0.734 -0.650 1.00 0.00 C ATOM 1541 C PRO A 101 -9.465 -0.674 -0.674 1.00 0.00 C ATOM 1542 O PRO A 101 -8.325 -0.848 -1.056 1.00 0.00 O ATOM 1543 CB PRO A 101 -9.084 1.689 0.004 1.00 0.00 C ATOM 1544 CG PRO A 101 -9.505 1.759 1.434 1.00 0.00 C ATOM 1545 CD PRO A 101 -10.997 1.570 1.460 1.00 0.00 C ATOM 0 HA PRO A 101 -10.315 0.969 -1.686 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.061 1.324 -0.089 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.116 2.672 -0.465 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.008 0.987 2.021 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.230 2.719 1.871 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -11.314 1.013 2.342 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.521 2.526 1.481 1.00 0.00 H new ATOM 1553 N LEU A 102 -10.180 -1.678 -0.263 1.00 0.00 N ATOM 1554 CA LEU A 102 -9.578 -3.042 -0.269 1.00 0.00 C ATOM 1555 C LEU A 102 -9.820 -3.754 -1.603 1.00 0.00 C ATOM 1556 O LEU A 102 -10.923 -3.783 -2.113 1.00 0.00 O ATOM 1557 CB LEU A 102 -10.273 -3.786 0.871 1.00 0.00 C ATOM 1558 CG LEU A 102 -11.674 -4.211 0.426 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -11.624 -5.637 -0.129 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -12.621 -4.161 1.625 1.00 0.00 C ATOM 0 H LEU A 102 -11.141 -1.620 0.073 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.496 -3.003 -0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.690 -4.661 1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.338 -3.146 1.751 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.032 -3.535 -0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.622 -5.939 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.946 -5.672 -0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.268 -6.316 0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -13.620 -4.463 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -12.263 -4.839 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -12.656 -3.145 2.019 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.798 -4.353 -2.158 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.982 -5.090 -3.450 1.00 0.00 C ATOM 1574 C LEU A 103 -7.698 -5.830 -3.840 1.00 0.00 C ATOM 1575 O LEU A 103 -6.909 -6.190 -3.004 1.00 0.00 O ATOM 1576 CB LEU A 103 -9.369 -4.031 -4.504 1.00 0.00 C ATOM 1577 CG LEU A 103 -8.457 -2.790 -4.450 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -7.029 -3.172 -4.075 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -8.430 -2.134 -5.832 1.00 0.00 C ATOM 0 H LEU A 103 -7.851 -4.366 -1.779 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.759 -5.850 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.316 -4.475 -5.498 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.403 -3.726 -4.346 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.851 -2.108 -3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.409 -2.276 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -7.025 -3.649 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.631 -3.864 -4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.787 -1.254 -5.805 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.044 -2.843 -6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.440 -1.836 -6.113 1.00 0.00 H new ATOM 1591 N THR A 104 -7.478 -6.065 -5.099 1.00 0.00 N ATOM 1592 CA THR A 104 -6.243 -6.774 -5.511 1.00 0.00 C ATOM 1593 C THR A 104 -5.334 -5.817 -6.278 1.00 0.00 C ATOM 1594 O THR A 104 -5.660 -4.663 -6.480 1.00 0.00 O ATOM 1595 CB THR A 104 -6.715 -7.916 -6.411 1.00 0.00 C ATOM 1596 OG1 THR A 104 -5.588 -8.637 -6.891 1.00 0.00 O ATOM 1597 CG2 THR A 104 -7.500 -7.344 -7.593 1.00 0.00 C ATOM 0 H THR A 104 -8.101 -5.796 -5.861 1.00 0.00 H new ATOM 0 HA THR A 104 -5.672 -7.148 -4.661 1.00 0.00 H new ATOM 0 HB THR A 104 -7.358 -8.587 -5.841 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.865 -9.230 -7.620 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.836 -8.158 -8.235 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.364 -6.793 -7.223 1.00 0.00 H new ATOM 0 HG23 THR A 104 -6.859 -6.673 -8.165 1.00 0.00 H new ATOM 1605 N LYS A 105 -4.197 -6.293 -6.694 1.00 0.00 N ATOM 1606 CA LYS A 105 -3.236 -5.438 -7.447 1.00 0.00 C ATOM 1607 C LYS A 105 -3.950 -4.401 -8.316 1.00 0.00 C ATOM 1608 O LYS A 105 -4.866 -4.713 -9.048 1.00 0.00 O ATOM 1609 CB LYS A 105 -2.465 -6.417 -8.328 1.00 0.00 C ATOM 1610 CG LYS A 105 -3.424 -7.086 -9.312 1.00 0.00 C ATOM 1611 CD LYS A 105 -3.422 -8.602 -9.090 1.00 0.00 C ATOM 1612 CE LYS A 105 -1.981 -9.128 -9.037 1.00 0.00 C ATOM 1613 NZ LYS A 105 -1.261 -8.425 -10.136 1.00 0.00 N ATOM 0 H LYS A 105 -3.886 -7.253 -6.543 1.00 0.00 H new ATOM 0 HA LYS A 105 -2.596 -4.871 -6.771 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -1.679 -5.892 -8.871 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -1.977 -7.171 -7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.431 -6.691 -9.178 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.126 -6.859 -10.336 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -3.939 -8.841 -8.161 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -3.968 -9.095 -9.894 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -1.522 -8.919 -8.071 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -1.952 -10.209 -9.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -0.511 -9.041 -10.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -1.931 -8.194 -10.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -0.838 -7.548 -9.769 1.00 0.00 H new ATOM 1627 N PRO A 106 -3.462 -3.196 -8.229 1.00 0.00 N ATOM 1628 CA PRO A 106 -4.007 -2.084 -9.047 1.00 0.00 C ATOM 1629 C PRO A 106 -3.642 -2.300 -10.523 1.00 0.00 C ATOM 1630 O PRO A 106 -3.030 -1.456 -11.147 1.00 0.00 O ATOM 1631 CB PRO A 106 -3.283 -0.856 -8.489 1.00 0.00 C ATOM 1632 CG PRO A 106 -2.027 -1.395 -7.894 1.00 0.00 C ATOM 1633 CD PRO A 106 -2.372 -2.751 -7.356 1.00 0.00 C ATOM 0 HA PRO A 106 -5.092 -1.996 -9.001 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -3.070 -0.131 -9.275 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -3.889 -0.346 -7.740 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -1.238 -1.462 -8.643 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.660 -0.743 -7.102 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -1.520 -3.429 -7.400 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -2.687 -2.701 -6.314 1.00 0.00 H new ATOM 1641 N PHE A 107 -3.994 -3.431 -11.082 1.00 0.00 N ATOM 1642 CA PHE A 107 -3.641 -3.697 -12.508 1.00 0.00 C ATOM 1643 C PHE A 107 -4.884 -4.084 -13.324 1.00 0.00 C ATOM 1644 O PHE A 107 -4.822 -4.215 -14.529 1.00 0.00 O ATOM 1645 CB PHE A 107 -2.662 -4.878 -12.463 1.00 0.00 C ATOM 1646 CG PHE A 107 -1.385 -4.485 -11.748 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -1.413 -4.130 -10.395 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -0.169 -4.488 -12.438 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -0.231 -3.778 -9.735 1.00 0.00 C ATOM 1650 CE2 PHE A 107 1.013 -4.135 -11.777 1.00 0.00 C ATOM 1651 CZ PHE A 107 0.982 -3.780 -10.426 1.00 0.00 C ATOM 0 H PHE A 107 -4.508 -4.178 -10.614 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.214 -2.814 -12.983 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.126 -5.722 -11.953 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.432 -5.205 -13.477 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.350 -4.128 -9.858 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.142 -4.763 -13.482 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.257 -3.505 -8.691 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.951 -4.137 -12.312 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.895 -3.508 -9.917 1.00 0.00 H new ATOM 1661 N LEU A 108 -6.006 -4.280 -12.686 1.00 0.00 N ATOM 1662 CA LEU A 108 -7.232 -4.671 -13.448 1.00 0.00 C ATOM 1663 C LEU A 108 -8.459 -3.929 -12.919 1.00 0.00 C ATOM 1664 O LEU A 108 -9.289 -4.499 -12.241 1.00 0.00 O ATOM 1665 CB LEU A 108 -7.390 -6.170 -13.198 1.00 0.00 C ATOM 1666 CG LEU A 108 -6.366 -6.945 -14.024 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -5.543 -7.838 -13.093 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -7.099 -7.812 -15.051 1.00 0.00 C ATOM 0 H LEU A 108 -6.129 -4.188 -11.678 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.142 -4.428 -14.507 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.255 -6.387 -12.138 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -8.399 -6.487 -13.462 1.00 0.00 H new ATOM 0 HG LEU A 108 -5.705 -6.250 -14.542 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.810 -8.394 -13.677 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.028 -7.220 -12.358 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.204 -8.537 -12.581 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.372 -8.367 -15.643 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.756 -8.511 -14.534 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.692 -7.175 -15.708 1.00 0.00 H new ATOM 1680 N ASP A 109 -8.586 -2.666 -13.215 1.00 0.00 N ATOM 1681 CA ASP A 109 -9.771 -1.912 -12.714 1.00 0.00 C ATOM 1682 C ASP A 109 -9.766 -1.892 -11.182 1.00 0.00 C ATOM 1683 O ASP A 109 -10.722 -1.487 -10.553 1.00 0.00 O ATOM 1684 CB ASP A 109 -10.985 -2.680 -13.239 1.00 0.00 C ATOM 1685 CG ASP A 109 -10.758 -3.055 -14.705 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -10.076 -2.308 -15.387 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -11.269 -4.082 -15.119 1.00 0.00 O ATOM 0 H ASP A 109 -7.928 -2.126 -13.777 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.775 -0.875 -13.048 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.145 -3.579 -12.643 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.883 -2.070 -13.144 1.00 0.00 H new ATOM 1692 N SER A 110 -8.694 -2.332 -10.582 1.00 0.00 N ATOM 1693 CA SER A 110 -8.616 -2.343 -9.097 1.00 0.00 C ATOM 1694 C SER A 110 -7.943 -1.060 -8.609 1.00 0.00 C ATOM 1695 O SER A 110 -8.432 -0.388 -7.723 1.00 0.00 O ATOM 1696 CB SER A 110 -7.761 -3.561 -8.761 1.00 0.00 C ATOM 1697 OG SER A 110 -7.122 -4.034 -9.939 1.00 0.00 O ATOM 0 H SER A 110 -7.866 -2.686 -11.061 1.00 0.00 H new ATOM 0 HA SER A 110 -9.596 -2.393 -8.622 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.015 -3.299 -8.011 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.382 -4.347 -8.331 1.00 0.00 H new ATOM 0 HG SER A 110 -6.323 -4.547 -9.695 1.00 0.00 H new ATOM 1703 N GLU A 111 -6.831 -0.708 -9.197 1.00 0.00 N ATOM 1704 CA GLU A 111 -6.123 0.546 -8.788 1.00 0.00 C ATOM 1705 C GLU A 111 -7.115 1.702 -8.624 1.00 0.00 C ATOM 1706 O GLU A 111 -6.837 2.685 -7.965 1.00 0.00 O ATOM 1707 CB GLU A 111 -5.171 0.858 -9.945 1.00 0.00 C ATOM 1708 CG GLU A 111 -4.223 1.989 -9.532 1.00 0.00 C ATOM 1709 CD GLU A 111 -3.618 2.638 -10.778 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -2.593 2.158 -11.234 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -4.186 3.608 -11.253 1.00 0.00 O ATOM 0 H GLU A 111 -6.379 -1.234 -9.945 1.00 0.00 H new ATOM 0 HA GLU A 111 -5.608 0.421 -7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.600 -0.032 -10.211 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -5.738 1.149 -10.829 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -4.764 2.734 -8.948 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.431 1.597 -8.894 1.00 0.00 H new ATOM 1718 N LEU A 112 -8.262 1.597 -9.231 1.00 0.00 N ATOM 1719 CA LEU A 112 -9.264 2.707 -9.121 1.00 0.00 C ATOM 1720 C LEU A 112 -9.815 2.763 -7.699 1.00 0.00 C ATOM 1721 O LEU A 112 -9.481 3.642 -6.933 1.00 0.00 O ATOM 1722 CB LEU A 112 -10.415 2.421 -10.112 1.00 0.00 C ATOM 1723 CG LEU A 112 -10.017 1.395 -11.176 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -11.113 1.313 -12.239 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -8.701 1.812 -11.839 1.00 0.00 C ATOM 0 H LEU A 112 -8.554 0.799 -9.796 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.794 3.662 -9.355 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.283 2.055 -9.563 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.713 3.350 -10.598 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.888 0.422 -10.702 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.831 0.583 -12.997 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.050 1.008 -11.773 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.241 2.290 -12.706 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.425 1.076 -12.595 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.824 2.787 -12.310 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.916 1.869 -11.085 1.00 0.00 H new ATOM 1737 N GLU A 113 -10.660 1.830 -7.348 1.00 0.00 N ATOM 1738 CA GLU A 113 -11.247 1.818 -5.976 1.00 0.00 C ATOM 1739 C GLU A 113 -10.214 2.263 -4.949 1.00 0.00 C ATOM 1740 O GLU A 113 -10.470 3.107 -4.120 1.00 0.00 O ATOM 1741 CB GLU A 113 -11.635 0.360 -5.720 1.00 0.00 C ATOM 1742 CG GLU A 113 -12.510 -0.134 -6.870 1.00 0.00 C ATOM 1743 CD GLU A 113 -13.598 -1.064 -6.329 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -13.251 -2.018 -5.653 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -14.759 -0.807 -6.601 1.00 0.00 O ATOM 0 H GLU A 113 -10.970 1.072 -7.956 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.097 2.496 -5.895 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.741 -0.258 -5.636 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.172 0.274 -4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.965 0.713 -7.383 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -11.900 -0.661 -7.603 1.00 0.00 H new ATOM 1752 N ALA A 114 -9.047 1.697 -4.999 1.00 0.00 N ATOM 1753 CA ALA A 114 -7.998 2.078 -4.011 1.00 0.00 C ATOM 1754 C ALA A 114 -7.820 3.597 -3.961 1.00 0.00 C ATOM 1755 O ALA A 114 -7.693 4.177 -2.901 1.00 0.00 O ATOM 1756 CB ALA A 114 -6.719 1.403 -4.508 1.00 0.00 C ATOM 0 H ALA A 114 -8.770 0.988 -5.678 1.00 0.00 H new ATOM 0 HA ALA A 114 -8.261 1.765 -3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.897 1.637 -3.831 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.866 0.324 -4.541 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.480 1.767 -5.507 1.00 0.00 H new ATOM 1762 N VAL A 115 -7.805 4.250 -5.088 1.00 0.00 N ATOM 1763 CA VAL A 115 -7.628 5.732 -5.070 1.00 0.00 C ATOM 1764 C VAL A 115 -8.973 6.433 -5.284 1.00 0.00 C ATOM 1765 O VAL A 115 -9.115 7.613 -5.037 1.00 0.00 O ATOM 1766 CB VAL A 115 -6.649 6.036 -6.203 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -6.301 7.525 -6.185 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -5.372 5.217 -5.994 1.00 0.00 C ATOM 0 H VAL A 115 -7.906 3.830 -6.012 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.247 6.092 -4.114 1.00 0.00 H new ATOM 0 HB VAL A 115 -7.102 5.778 -7.160 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -5.603 7.745 -6.992 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -7.209 8.113 -6.320 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.843 7.780 -5.229 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.668 5.429 -6.799 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.921 5.484 -5.038 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.617 4.155 -5.996 1.00 0.00 H new ATOM 1778 N LEU A 116 -9.965 5.709 -5.725 1.00 0.00 N ATOM 1779 CA LEU A 116 -11.308 6.324 -5.935 1.00 0.00 C ATOM 1780 C LEU A 116 -12.077 6.328 -4.610 1.00 0.00 C ATOM 1781 O LEU A 116 -13.014 7.075 -4.421 1.00 0.00 O ATOM 1782 CB LEU A 116 -12.002 5.421 -6.956 1.00 0.00 C ATOM 1783 CG LEU A 116 -13.388 5.982 -7.276 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -13.302 6.877 -8.513 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -14.356 4.828 -7.551 1.00 0.00 C ATOM 0 H LEU A 116 -9.904 4.716 -5.950 1.00 0.00 H new ATOM 0 HA LEU A 116 -11.251 7.355 -6.284 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.405 5.357 -7.866 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.090 4.409 -6.561 1.00 0.00 H new ATOM 0 HG LEU A 116 -13.748 6.565 -6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -14.290 7.277 -8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -12.613 7.699 -8.320 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -12.942 6.293 -9.360 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -15.344 5.228 -7.779 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -13.996 4.245 -8.399 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -14.418 4.188 -6.671 1.00 0.00 H new ATOM 1797 N VAL A 117 -11.680 5.487 -3.695 1.00 0.00 N ATOM 1798 CA VAL A 117 -12.373 5.416 -2.372 1.00 0.00 C ATOM 1799 C VAL A 117 -12.053 6.643 -1.511 1.00 0.00 C ATOM 1800 O VAL A 117 -12.587 6.803 -0.431 1.00 0.00 O ATOM 1801 CB VAL A 117 -11.820 4.158 -1.704 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -12.342 2.922 -2.433 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -10.289 4.187 -1.747 1.00 0.00 C ATOM 0 H VAL A 117 -10.899 4.840 -3.806 1.00 0.00 H new ATOM 0 HA VAL A 117 -13.456 5.390 -2.492 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.146 4.122 -0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.947 2.025 -1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -13.431 2.907 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.021 2.951 -3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.895 3.290 -1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -9.955 4.224 -2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.927 5.068 -1.217 1.00 0.00 H new ATOM 1813 N GLN A 118 -11.175 7.498 -1.956 1.00 0.00 N ATOM 1814 CA GLN A 118 -10.831 8.686 -1.122 1.00 0.00 C ATOM 1815 C GLN A 118 -11.235 9.991 -1.814 1.00 0.00 C ATOM 1816 O GLN A 118 -11.333 11.027 -1.185 1.00 0.00 O ATOM 1817 CB GLN A 118 -9.315 8.618 -0.948 1.00 0.00 C ATOM 1818 CG GLN A 118 -8.934 7.259 -0.362 1.00 0.00 C ATOM 1819 CD GLN A 118 -9.015 7.321 1.164 1.00 0.00 C ATOM 1820 OE1 GLN A 118 -8.013 7.483 1.831 1.00 0.00 O ATOM 1821 NE2 GLN A 118 -10.176 7.199 1.748 1.00 0.00 N ATOM 0 H GLN A 118 -10.686 7.429 -2.848 1.00 0.00 H new ATOM 0 HA GLN A 118 -11.360 8.674 -0.169 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -8.820 8.764 -1.908 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -8.977 9.418 -0.290 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -9.603 6.487 -0.741 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -7.925 6.987 -0.673 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -11.017 7.063 1.187 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -10.242 7.240 2.765 1.00 0.00 H new