USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=18 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= -4.93! C(o=-13!,f=-21!) USER MOD Set 1.2: A 68 SER OG : rot -138:sc= 1.08 USER MOD Set 1.3: A 86 THR OG1 : rot 6:sc= -8.97! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 151:sc= -0.0914 (180deg=-1.42) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -47:sc= 0.501 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -24.1! C(o=-24!,f=-24!) USER MOD Single : A 38 THR OG1 : rot -85:sc= -7.23! USER MOD Single : A 40 SER OG : rot 15:sc= 0.909 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -1.46! C(o=-1.5!,f=-3.4!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc=-0.00309 K(o=-0.0031,f=0.61) USER MOD Single : A 69 TYR OH : rot 30:sc= -1.9! USER MOD Single : A 79 ASN : amide:sc= -4.82! C(o=-4.8!,f=-6.3!) USER MOD Single : A 88 TYR OH : rot -67:sc= -0.538 USER MOD Single : A 90 SER OG : rot -37:sc= 0.928 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -143:sc= -0.0138 USER MOD Single : A 97 TYR OH : rot 82:sc= 0.552 USER MOD Single : A 98 SER OG : rot 104:sc= -0.424! USER MOD Single : A 99 ASN : amide:sc= -4.7! C(o=-4.7!,f=-1.9!) USER MOD Single : A 104 THR OG1 : rot -1:sc= 1.05 USER MOD Single : A 105 LYS NZ :NH3+ -149:sc= 0.0466 (180deg=-1.84!) USER MOD Single : A 110 SER OG : rot -104:sc= -4.31! USER MOD Single : A 118 GLN : amide:sc= -4.11! C(o=-4.1!,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 132 N LEU A 9 5.102 10.688 5.058 1.00 0.00 N ATOM 133 CA LEU A 9 4.101 9.947 4.243 1.00 0.00 C ATOM 134 C LEU A 9 4.805 8.997 3.267 1.00 0.00 C ATOM 135 O LEU A 9 5.753 9.366 2.598 1.00 0.00 O ATOM 136 CB LEU A 9 3.329 11.030 3.489 1.00 0.00 C ATOM 137 CG LEU A 9 2.888 12.117 4.469 1.00 0.00 C ATOM 138 CD1 LEU A 9 3.718 13.379 4.232 1.00 0.00 C ATOM 139 CD2 LEU A 9 1.406 12.430 4.248 1.00 0.00 C ATOM 0 HA LEU A 9 3.442 9.331 4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.956 11.462 2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.459 10.595 2.996 1.00 0.00 H new ATOM 0 HG LEU A 9 3.037 11.770 5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.406 14.156 4.930 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.773 13.155 4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.567 13.727 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.090 13.205 4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.256 12.779 3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.815 11.529 4.414 1.00 0.00 H new ATOM 151 N ARG A 10 4.350 7.773 3.182 1.00 0.00 N ATOM 152 CA ARG A 10 4.997 6.798 2.255 1.00 0.00 C ATOM 153 C ARG A 10 3.966 5.828 1.663 1.00 0.00 C ATOM 154 O ARG A 10 2.936 5.560 2.245 1.00 0.00 O ATOM 155 CB ARG A 10 5.997 6.034 3.125 1.00 0.00 C ATOM 156 CG ARG A 10 6.888 5.171 2.232 1.00 0.00 C ATOM 157 CD ARG A 10 7.540 6.056 1.171 1.00 0.00 C ATOM 158 NE ARG A 10 8.998 5.761 1.272 1.00 0.00 N ATOM 159 CZ ARG A 10 9.627 5.961 2.397 1.00 0.00 C ATOM 160 NH1 ARG A 10 9.376 7.029 3.103 1.00 0.00 N ATOM 161 NH2 ARG A 10 10.507 5.093 2.817 1.00 0.00 N ATOM 0 H ARG A 10 3.560 7.408 3.714 1.00 0.00 H new ATOM 0 HA ARG A 10 5.471 7.300 1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.606 6.733 3.699 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.468 5.408 3.843 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.653 4.676 2.830 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.298 4.387 1.757 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.158 5.827 0.176 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.336 7.111 1.356 1.00 0.00 H new ATOM 0 HE ARG A 10 9.503 5.403 0.462 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.688 7.707 2.775 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.868 7.186 3.983 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.703 4.258 2.265 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.999 5.250 3.697 1.00 0.00 H new ATOM 175 N VAL A 11 4.244 5.287 0.511 1.00 0.00 N ATOM 176 CA VAL A 11 3.290 4.325 -0.111 1.00 0.00 C ATOM 177 C VAL A 11 4.055 3.082 -0.585 1.00 0.00 C ATOM 178 O VAL A 11 4.456 2.981 -1.727 1.00 0.00 O ATOM 179 CB VAL A 11 2.677 5.089 -1.287 1.00 0.00 C ATOM 180 CG1 VAL A 11 3.789 5.696 -2.144 1.00 0.00 C ATOM 181 CG2 VAL A 11 1.840 4.136 -2.137 1.00 0.00 C ATOM 0 H VAL A 11 5.091 5.469 -0.028 1.00 0.00 H new ATOM 0 HA VAL A 11 2.520 3.976 0.577 1.00 0.00 H new ATOM 0 HB VAL A 11 2.041 5.887 -0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.349 6.239 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.382 6.381 -1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.430 4.901 -2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.404 4.682 -2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.474 3.335 -2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.043 3.710 -1.528 1.00 0.00 H new ATOM 191 N LEU A 12 4.280 2.146 0.300 1.00 0.00 N ATOM 192 CA LEU A 12 5.044 0.920 -0.078 1.00 0.00 C ATOM 193 C LEU A 12 4.114 -0.144 -0.670 1.00 0.00 C ATOM 194 O LEU A 12 3.548 -0.947 0.036 1.00 0.00 O ATOM 195 CB LEU A 12 5.658 0.410 1.232 1.00 0.00 C ATOM 196 CG LEU A 12 6.077 1.585 2.123 1.00 0.00 C ATOM 197 CD1 LEU A 12 5.189 1.626 3.353 1.00 0.00 C ATOM 198 CD2 LEU A 12 7.538 1.415 2.544 1.00 0.00 C ATOM 0 H LEU A 12 3.967 2.178 1.270 1.00 0.00 H new ATOM 0 HA LEU A 12 5.798 1.136 -0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.937 -0.215 1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.524 -0.216 1.015 1.00 0.00 H new ATOM 0 HG LEU A 12 5.971 2.518 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.485 2.461 3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.150 1.753 3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.293 0.694 3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.834 2.251 3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.651 0.483 3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.172 1.389 1.657 1.00 0.00 H new ATOM 210 N VAL A 13 3.975 -0.178 -1.962 1.00 0.00 N ATOM 211 CA VAL A 13 3.097 -1.212 -2.584 1.00 0.00 C ATOM 212 C VAL A 13 3.971 -2.246 -3.268 1.00 0.00 C ATOM 213 O VAL A 13 4.847 -1.915 -4.039 1.00 0.00 O ATOM 214 CB VAL A 13 2.242 -0.464 -3.606 1.00 0.00 C ATOM 215 CG1 VAL A 13 1.119 -1.380 -4.091 1.00 0.00 C ATOM 216 CG2 VAL A 13 1.640 0.780 -2.953 1.00 0.00 C ATOM 0 H VAL A 13 4.428 0.461 -2.616 1.00 0.00 H new ATOM 0 HA VAL A 13 2.471 -1.730 -1.857 1.00 0.00 H new ATOM 0 HB VAL A 13 2.861 -0.165 -4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.507 -0.850 -4.820 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.548 -2.268 -4.555 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.500 -1.676 -3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.030 1.314 -3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.019 0.483 -2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.441 1.431 -2.603 1.00 0.00 H new ATOM 226 N VAL A 14 3.776 -3.495 -2.977 1.00 0.00 N ATOM 227 CA VAL A 14 4.649 -4.506 -3.610 1.00 0.00 C ATOM 228 C VAL A 14 3.867 -5.757 -4.024 1.00 0.00 C ATOM 229 O VAL A 14 3.028 -6.270 -3.302 1.00 0.00 O ATOM 230 CB VAL A 14 5.706 -4.834 -2.544 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.067 -3.572 -1.748 1.00 0.00 C ATOM 232 CG2 VAL A 14 5.170 -5.901 -1.587 1.00 0.00 C ATOM 0 H VAL A 14 3.064 -3.854 -2.341 1.00 0.00 H new ATOM 0 HA VAL A 14 5.096 -4.132 -4.531 1.00 0.00 H new ATOM 0 HB VAL A 14 6.598 -5.210 -3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.817 -3.818 -0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.466 -2.817 -2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.175 -3.184 -1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.925 -6.128 -0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.269 -5.531 -1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.933 -6.806 -2.147 1.00 0.00 H new ATOM 242 N GLU A 15 4.174 -6.246 -5.190 1.00 0.00 N ATOM 243 CA GLU A 15 3.525 -7.474 -5.722 1.00 0.00 C ATOM 244 C GLU A 15 4.358 -7.986 -6.911 1.00 0.00 C ATOM 245 O GLU A 15 5.108 -7.252 -7.514 1.00 0.00 O ATOM 246 CB GLU A 15 2.116 -7.056 -6.138 1.00 0.00 C ATOM 247 CG GLU A 15 2.180 -6.182 -7.384 1.00 0.00 C ATOM 248 CD GLU A 15 1.677 -6.987 -8.577 1.00 0.00 C ATOM 249 OE1 GLU A 15 2.134 -8.104 -8.746 1.00 0.00 O ATOM 250 OE2 GLU A 15 0.839 -6.475 -9.300 1.00 0.00 O ATOM 0 H GLU A 15 4.868 -5.834 -5.814 1.00 0.00 H new ATOM 0 HA GLU A 15 3.467 -8.285 -4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.508 -7.939 -6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.634 -6.512 -5.326 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.572 -5.288 -7.249 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.203 -5.848 -7.558 1.00 0.00 H new ATOM 257 N ASP A 16 4.280 -9.249 -7.206 1.00 0.00 N ATOM 258 CA ASP A 16 5.119 -9.831 -8.305 1.00 0.00 C ATOM 259 C ASP A 16 4.824 -9.252 -9.697 1.00 0.00 C ATOM 260 O ASP A 16 4.653 -9.992 -10.645 1.00 0.00 O ATOM 261 CB ASP A 16 4.773 -11.308 -8.290 1.00 0.00 C ATOM 262 CG ASP A 16 3.285 -11.479 -8.613 1.00 0.00 C ATOM 263 OD1 ASP A 16 2.572 -10.488 -8.568 1.00 0.00 O ATOM 264 OD2 ASP A 16 2.883 -12.594 -8.902 1.00 0.00 O ATOM 0 H ASP A 16 3.669 -9.915 -6.734 1.00 0.00 H new ATOM 0 HA ASP A 16 6.171 -9.607 -8.129 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.380 -11.844 -9.020 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.997 -11.737 -7.313 1.00 0.00 H new ATOM 269 N GLU A 17 4.800 -7.958 -9.856 1.00 0.00 N ATOM 270 CA GLU A 17 4.553 -7.390 -11.220 1.00 0.00 C ATOM 271 C GLU A 17 5.075 -5.954 -11.302 1.00 0.00 C ATOM 272 O GLU A 17 5.339 -5.319 -10.301 1.00 0.00 O ATOM 273 CB GLU A 17 3.035 -7.404 -11.429 1.00 0.00 C ATOM 274 CG GLU A 17 2.502 -8.840 -11.390 1.00 0.00 C ATOM 275 CD GLU A 17 1.012 -8.838 -11.730 1.00 0.00 C ATOM 276 OE1 GLU A 17 0.545 -7.837 -12.248 1.00 0.00 O ATOM 277 OE2 GLU A 17 0.362 -9.836 -11.464 1.00 0.00 O ATOM 0 H GLU A 17 4.938 -7.273 -9.113 1.00 0.00 H new ATOM 0 HA GLU A 17 5.067 -7.973 -11.984 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.550 -6.808 -10.656 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.789 -6.944 -12.386 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.047 -9.461 -12.100 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.660 -9.272 -10.402 1.00 0.00 H new ATOM 284 N SER A 18 5.211 -5.435 -12.491 1.00 0.00 N ATOM 285 CA SER A 18 5.697 -4.034 -12.644 1.00 0.00 C ATOM 286 C SER A 18 4.502 -3.103 -12.843 1.00 0.00 C ATOM 287 O SER A 18 4.603 -1.901 -12.692 1.00 0.00 O ATOM 288 CB SER A 18 6.586 -4.053 -13.888 1.00 0.00 C ATOM 289 OG SER A 18 7.036 -2.733 -14.165 1.00 0.00 O ATOM 0 H SER A 18 5.006 -5.921 -13.364 1.00 0.00 H new ATOM 0 HA SER A 18 6.244 -3.678 -11.771 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.438 -4.714 -13.730 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.031 -4.446 -14.740 1.00 0.00 H new ATOM 0 HG SER A 18 7.607 -2.742 -14.961 1.00 0.00 H new ATOM 295 N MET A 19 3.366 -3.655 -13.171 1.00 0.00 N ATOM 296 CA MET A 19 2.156 -2.811 -13.369 1.00 0.00 C ATOM 297 C MET A 19 1.848 -2.053 -12.080 1.00 0.00 C ATOM 298 O MET A 19 1.161 -1.050 -12.084 1.00 0.00 O ATOM 299 CB MET A 19 1.034 -3.798 -13.692 1.00 0.00 C ATOM 300 CG MET A 19 -0.194 -3.036 -14.194 1.00 0.00 C ATOM 301 SD MET A 19 -0.944 -3.944 -15.568 1.00 0.00 S ATOM 302 CE MET A 19 -1.083 -5.542 -14.731 1.00 0.00 C ATOM 0 H MET A 19 3.224 -4.655 -13.310 1.00 0.00 H new ATOM 0 HA MET A 19 2.283 -2.072 -14.160 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.368 -4.508 -14.449 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.778 -4.376 -12.804 1.00 0.00 H new ATOM 0 HG2 MET A 19 -0.916 -2.915 -13.386 1.00 0.00 H new ATOM 0 HG3 MET A 19 0.092 -2.035 -14.518 1.00 0.00 H new ATOM 0 HE1 MET A 19 -1.931 -6.093 -15.138 1.00 0.00 H new ATOM 0 HE2 MET A 19 -0.169 -6.115 -14.887 1.00 0.00 H new ATOM 0 HE3 MET A 19 -1.233 -5.382 -13.663 1.00 0.00 H new ATOM 312 N ILE A 20 2.362 -2.519 -10.974 1.00 0.00 N ATOM 313 CA ILE A 20 2.110 -1.818 -9.686 1.00 0.00 C ATOM 314 C ILE A 20 3.107 -0.676 -9.533 1.00 0.00 C ATOM 315 O ILE A 20 2.939 0.211 -8.720 1.00 0.00 O ATOM 316 CB ILE A 20 2.318 -2.878 -8.606 1.00 0.00 C ATOM 317 CG1 ILE A 20 2.158 -2.238 -7.226 1.00 0.00 C ATOM 318 CG2 ILE A 20 3.716 -3.485 -8.727 1.00 0.00 C ATOM 319 CD1 ILE A 20 2.428 -3.283 -6.142 1.00 0.00 C ATOM 0 H ILE A 20 2.944 -3.354 -10.908 1.00 0.00 H new ATOM 0 HA ILE A 20 1.111 -1.386 -9.625 1.00 0.00 H new ATOM 0 HB ILE A 20 1.576 -3.666 -8.734 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.849 -1.402 -7.119 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.151 -1.836 -7.115 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.853 -4.239 -7.952 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.828 -3.947 -9.708 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.464 -2.702 -8.607 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.314 -2.826 -5.159 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.719 -4.105 -6.244 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.444 -3.664 -6.249 1.00 0.00 H new ATOM 331 N ALA A 21 4.140 -0.690 -10.324 1.00 0.00 N ATOM 332 CA ALA A 21 5.154 0.391 -10.253 1.00 0.00 C ATOM 333 C ALA A 21 4.575 1.681 -10.829 1.00 0.00 C ATOM 334 O ALA A 21 4.413 2.662 -10.131 1.00 0.00 O ATOM 335 CB ALA A 21 6.314 -0.125 -11.100 1.00 0.00 C ATOM 0 H ALA A 21 4.326 -1.410 -11.022 1.00 0.00 H new ATOM 0 HA ALA A 21 5.468 0.621 -9.235 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.116 0.613 -11.106 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.684 -1.060 -10.679 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.971 -0.297 -12.120 1.00 0.00 H new ATOM 341 N MET A 22 4.246 1.690 -12.089 1.00 0.00 N ATOM 342 CA MET A 22 3.660 2.926 -12.682 1.00 0.00 C ATOM 343 C MET A 22 2.370 3.265 -11.946 1.00 0.00 C ATOM 344 O MET A 22 1.935 4.399 -11.909 1.00 0.00 O ATOM 345 CB MET A 22 3.381 2.584 -14.146 1.00 0.00 C ATOM 346 CG MET A 22 2.507 3.676 -14.764 1.00 0.00 C ATOM 347 SD MET A 22 0.809 3.067 -14.925 1.00 0.00 S ATOM 348 CE MET A 22 0.006 4.678 -15.108 1.00 0.00 C ATOM 0 H MET A 22 4.355 0.904 -12.730 1.00 0.00 H new ATOM 0 HA MET A 22 4.321 3.789 -12.602 1.00 0.00 H new ATOM 0 HB2 MET A 22 4.318 2.498 -14.696 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.880 1.618 -14.216 1.00 0.00 H new ATOM 0 HG2 MET A 22 2.527 4.570 -14.140 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.897 3.960 -15.741 1.00 0.00 H new ATOM 0 HE1 MET A 22 -1.069 4.538 -15.224 1.00 0.00 H new ATOM 0 HE2 MET A 22 0.200 5.284 -14.223 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.403 5.184 -15.988 1.00 0.00 H new ATOM 358 N LEU A 23 1.772 2.285 -11.333 1.00 0.00 N ATOM 359 CA LEU A 23 0.527 2.534 -10.562 1.00 0.00 C ATOM 360 C LEU A 23 0.889 3.288 -9.275 1.00 0.00 C ATOM 361 O LEU A 23 0.038 3.680 -8.504 1.00 0.00 O ATOM 362 CB LEU A 23 -0.019 1.125 -10.267 1.00 0.00 C ATOM 363 CG LEU A 23 -1.026 1.146 -9.108 1.00 0.00 C ATOM 364 CD1 LEU A 23 -0.278 1.246 -7.778 1.00 0.00 C ATOM 365 CD2 LEU A 23 -1.984 2.332 -9.262 1.00 0.00 C ATOM 0 H LEU A 23 2.094 1.317 -11.333 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.211 3.141 -11.086 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.498 0.724 -11.160 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.807 0.457 -10.022 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.607 0.224 -9.124 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.995 1.261 -6.957 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.383 0.386 -7.667 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.312 2.162 -7.760 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.693 2.337 -8.434 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.415 3.262 -9.258 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.526 2.242 -10.204 1.00 0.00 H new ATOM 377 N ILE A 24 2.163 3.490 -9.042 1.00 0.00 N ATOM 378 CA ILE A 24 2.604 4.205 -7.813 1.00 0.00 C ATOM 379 C ILE A 24 3.037 5.639 -8.149 1.00 0.00 C ATOM 380 O ILE A 24 2.673 6.582 -7.474 1.00 0.00 O ATOM 381 CB ILE A 24 3.779 3.356 -7.292 1.00 0.00 C ATOM 382 CG1 ILE A 24 3.672 3.231 -5.773 1.00 0.00 C ATOM 383 CG2 ILE A 24 5.131 3.990 -7.649 1.00 0.00 C ATOM 384 CD1 ILE A 24 4.266 1.894 -5.328 1.00 0.00 C ATOM 0 H ILE A 24 2.918 3.187 -9.657 1.00 0.00 H new ATOM 0 HA ILE A 24 1.815 4.308 -7.068 1.00 0.00 H new ATOM 0 HB ILE A 24 3.726 2.374 -7.763 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.200 4.054 -5.292 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.629 3.298 -5.465 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.938 3.365 -7.266 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.219 4.074 -8.732 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.197 4.982 -7.202 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.190 1.805 -4.244 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.718 1.078 -5.799 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.314 1.845 -5.623 1.00 0.00 H new ATOM 396 N GLU A 25 3.817 5.806 -9.183 1.00 0.00 N ATOM 397 CA GLU A 25 4.277 7.174 -9.558 1.00 0.00 C ATOM 398 C GLU A 25 3.074 8.098 -9.762 1.00 0.00 C ATOM 399 O GLU A 25 3.153 9.293 -9.555 1.00 0.00 O ATOM 400 CB GLU A 25 5.043 6.987 -10.869 1.00 0.00 C ATOM 401 CG GLU A 25 6.520 6.730 -10.566 1.00 0.00 C ATOM 402 CD GLU A 25 7.316 8.017 -10.785 1.00 0.00 C ATOM 403 OE1 GLU A 25 6.702 9.025 -11.096 1.00 0.00 O ATOM 404 OE2 GLU A 25 8.526 7.974 -10.639 1.00 0.00 O ATOM 0 H GLU A 25 4.155 5.054 -9.784 1.00 0.00 H new ATOM 0 HA GLU A 25 4.897 7.629 -8.786 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.625 6.151 -11.430 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.938 7.874 -11.493 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.637 6.388 -9.538 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.902 5.939 -11.211 1.00 0.00 H new ATOM 411 N ASP A 26 1.959 7.555 -10.164 1.00 0.00 N ATOM 412 CA ASP A 26 0.756 8.405 -10.379 1.00 0.00 C ATOM 413 C ASP A 26 0.171 8.847 -9.032 1.00 0.00 C ATOM 414 O ASP A 26 -0.121 10.010 -8.831 1.00 0.00 O ATOM 415 CB ASP A 26 -0.221 7.511 -11.153 1.00 0.00 C ATOM 416 CG ASP A 26 -0.946 6.569 -10.189 1.00 0.00 C ATOM 417 OD1 ASP A 26 -0.273 5.790 -9.535 1.00 0.00 O ATOM 418 OD2 ASP A 26 -2.161 6.646 -10.118 1.00 0.00 O ATOM 0 H ASP A 26 1.829 6.561 -10.353 1.00 0.00 H new ATOM 0 HA ASP A 26 0.978 9.321 -10.927 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.945 8.127 -11.686 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.319 6.932 -11.903 1.00 0.00 H new ATOM 423 N THR A 27 0.007 7.944 -8.102 1.00 0.00 N ATOM 424 CA THR A 27 -0.544 8.351 -6.784 1.00 0.00 C ATOM 425 C THR A 27 0.488 9.205 -6.051 1.00 0.00 C ATOM 426 O THR A 27 0.150 10.131 -5.342 1.00 0.00 O ATOM 427 CB THR A 27 -0.815 7.057 -6.025 1.00 0.00 C ATOM 428 OG1 THR A 27 0.417 6.495 -5.593 1.00 0.00 O ATOM 429 CG2 THR A 27 -1.540 6.070 -6.942 1.00 0.00 C ATOM 0 H THR A 27 0.229 6.953 -8.199 1.00 0.00 H new ATOM 0 HA THR A 27 -1.455 8.942 -6.879 1.00 0.00 H new ATOM 0 HB THR A 27 -1.440 7.267 -5.157 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.056 6.497 -6.336 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.734 5.145 -6.400 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.485 6.504 -7.269 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.918 5.857 -7.812 1.00 0.00 H new ATOM 437 N LEU A 28 1.749 8.919 -6.233 1.00 0.00 N ATOM 438 CA LEU A 28 2.786 9.747 -5.564 1.00 0.00 C ATOM 439 C LEU A 28 2.743 11.146 -6.184 1.00 0.00 C ATOM 440 O LEU A 28 3.209 12.110 -5.611 1.00 0.00 O ATOM 441 CB LEU A 28 4.118 9.021 -5.827 1.00 0.00 C ATOM 442 CG LEU A 28 5.222 10.018 -6.212 1.00 0.00 C ATOM 443 CD1 LEU A 28 6.591 9.419 -5.882 1.00 0.00 C ATOM 444 CD2 LEU A 28 5.145 10.314 -7.712 1.00 0.00 C ATOM 0 H LEU A 28 2.101 8.155 -6.810 1.00 0.00 H new ATOM 0 HA LEU A 28 2.640 9.867 -4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.417 8.468 -4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.987 8.291 -6.626 1.00 0.00 H new ATOM 0 HG LEU A 28 5.085 10.943 -5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.373 10.127 -6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.649 9.209 -4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.728 8.493 -6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.928 11.021 -7.984 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.280 9.389 -8.273 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.171 10.743 -7.949 1.00 0.00 H new ATOM 456 N CYS A 29 2.162 11.257 -7.348 1.00 0.00 N ATOM 457 CA CYS A 29 2.055 12.587 -8.003 1.00 0.00 C ATOM 458 C CYS A 29 1.155 13.497 -7.159 1.00 0.00 C ATOM 459 O CYS A 29 1.289 14.704 -7.166 1.00 0.00 O ATOM 460 CB CYS A 29 1.411 12.307 -9.359 1.00 0.00 C ATOM 461 SG CYS A 29 1.486 13.798 -10.383 1.00 0.00 S ATOM 0 H CYS A 29 1.757 10.481 -7.872 1.00 0.00 H new ATOM 0 HA CYS A 29 3.019 13.085 -8.109 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.927 11.486 -9.856 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.375 11.997 -9.224 1.00 0.00 H new ATOM 0 HG CYS A 29 0.940 13.559 -11.538 1.00 0.00 H new ATOM 467 N GLU A 30 0.245 12.914 -6.418 1.00 0.00 N ATOM 468 CA GLU A 30 -0.662 13.728 -5.554 1.00 0.00 C ATOM 469 C GLU A 30 -0.079 13.791 -4.146 1.00 0.00 C ATOM 470 O GLU A 30 -0.034 14.829 -3.515 1.00 0.00 O ATOM 471 CB GLU A 30 -2.049 13.034 -5.511 1.00 0.00 C ATOM 472 CG GLU A 30 -2.080 11.731 -6.322 1.00 0.00 C ATOM 473 CD GLU A 30 -3.513 11.454 -6.783 1.00 0.00 C ATOM 474 OE1 GLU A 30 -3.922 12.049 -7.766 1.00 0.00 O ATOM 475 OE2 GLU A 30 -4.176 10.653 -6.145 1.00 0.00 O ATOM 0 H GLU A 30 0.092 11.906 -6.375 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.763 14.739 -5.950 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.312 12.820 -4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.805 13.717 -5.898 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.418 11.810 -7.184 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.715 10.903 -5.715 1.00 0.00 H new ATOM 482 N LEU A 31 0.360 12.667 -3.659 1.00 0.00 N ATOM 483 CA LEU A 31 0.945 12.597 -2.294 1.00 0.00 C ATOM 484 C LEU A 31 2.378 13.127 -2.282 1.00 0.00 C ATOM 485 O LEU A 31 2.811 13.752 -1.335 1.00 0.00 O ATOM 486 CB LEU A 31 0.944 11.107 -1.969 1.00 0.00 C ATOM 487 CG LEU A 31 -0.346 10.731 -1.248 1.00 0.00 C ATOM 488 CD1 LEU A 31 -0.894 9.436 -1.844 1.00 0.00 C ATOM 489 CD2 LEU A 31 -0.042 10.523 0.237 1.00 0.00 C ATOM 0 H LEU A 31 0.338 11.778 -4.158 1.00 0.00 H new ATOM 0 HA LEU A 31 0.385 13.197 -1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.040 10.526 -2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.804 10.862 -1.345 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.084 11.525 -1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.817 9.162 -1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.097 9.581 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.160 8.640 -1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.959 10.254 0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.689 9.723 0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.360 11.444 0.659 1.00 0.00 H new ATOM 501 N GLY A 32 3.127 12.856 -3.312 1.00 0.00 N ATOM 502 CA GLY A 32 4.540 13.317 -3.334 1.00 0.00 C ATOM 503 C GLY A 32 5.326 12.466 -2.339 1.00 0.00 C ATOM 504 O GLY A 32 6.338 12.878 -1.808 1.00 0.00 O ATOM 0 H GLY A 32 2.823 12.337 -4.136 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.958 13.217 -4.336 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.602 14.372 -3.066 1.00 0.00 H new ATOM 508 N HIS A 33 4.844 11.279 -2.075 1.00 0.00 N ATOM 509 CA HIS A 33 5.526 10.375 -1.103 1.00 0.00 C ATOM 510 C HIS A 33 7.045 10.500 -1.216 1.00 0.00 C ATOM 511 O HIS A 33 7.572 10.869 -2.246 1.00 0.00 O ATOM 512 CB HIS A 33 5.095 8.965 -1.503 1.00 0.00 C ATOM 513 CG HIS A 33 3.661 8.734 -1.119 1.00 0.00 C ATOM 514 ND1 HIS A 33 2.731 8.228 -2.014 1.00 0.00 N ATOM 515 CD2 HIS A 33 2.987 8.905 0.065 1.00 0.00 C ATOM 516 CE1 HIS A 33 1.562 8.108 -1.361 1.00 0.00 C ATOM 517 NE2 HIS A 33 1.662 8.510 -0.090 1.00 0.00 N ATOM 0 H HIS A 33 3.998 10.894 -2.496 1.00 0.00 H new ATOM 0 HA HIS A 33 5.261 10.620 -0.075 1.00 0.00 H new ATOM 0 HB2 HIS A 33 5.218 8.830 -2.578 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.733 8.229 -1.014 1.00 0.00 H new ATOM 0 HD1 HIS A 33 2.903 7.990 -2.991 1.00 0.00 H new ATOM 0 HD2 HIS A 33 3.420 9.288 0.978 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.653 7.733 -1.808 1.00 0.00 H new ATOM 525 N GLU A 34 7.752 10.179 -0.167 1.00 0.00 N ATOM 526 CA GLU A 34 9.240 10.263 -0.216 1.00 0.00 C ATOM 527 C GLU A 34 9.770 9.389 -1.359 1.00 0.00 C ATOM 528 O GLU A 34 10.300 9.877 -2.337 1.00 0.00 O ATOM 529 CB GLU A 34 9.707 9.723 1.135 1.00 0.00 C ATOM 530 CG GLU A 34 11.014 10.406 1.532 1.00 0.00 C ATOM 531 CD GLU A 34 12.189 9.639 0.925 1.00 0.00 C ATOM 532 OE1 GLU A 34 12.416 8.515 1.343 1.00 0.00 O ATOM 533 OE2 GLU A 34 12.840 10.186 0.051 1.00 0.00 O ATOM 0 H GLU A 34 7.364 9.862 0.722 1.00 0.00 H new ATOM 0 HA GLU A 34 9.599 11.277 -0.394 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.945 9.903 1.894 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.851 8.644 1.077 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.019 11.438 1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.107 10.437 2.618 1.00 0.00 H new ATOM 540 N VAL A 35 9.620 8.099 -1.240 1.00 0.00 N ATOM 541 CA VAL A 35 10.098 7.180 -2.315 1.00 0.00 C ATOM 542 C VAL A 35 9.156 5.975 -2.409 1.00 0.00 C ATOM 543 O VAL A 35 9.202 5.072 -1.597 1.00 0.00 O ATOM 544 CB VAL A 35 11.503 6.743 -1.888 1.00 0.00 C ATOM 545 CG1 VAL A 35 12.472 7.920 -2.029 1.00 0.00 C ATOM 546 CG2 VAL A 35 11.480 6.278 -0.429 1.00 0.00 C ATOM 0 H VAL A 35 9.185 7.638 -0.441 1.00 0.00 H new ATOM 0 HA VAL A 35 10.117 7.657 -3.295 1.00 0.00 H new ATOM 0 HB VAL A 35 11.831 5.921 -2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 35 13.471 7.607 -1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.495 8.250 -3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.140 8.742 -1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.481 5.968 -0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.148 7.097 0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.794 5.437 -0.326 1.00 0.00 H new ATOM 556 N ALA A 36 8.286 5.973 -3.380 1.00 0.00 N ATOM 557 CA ALA A 36 7.312 4.850 -3.525 1.00 0.00 C ATOM 558 C ALA A 36 8.016 3.501 -3.707 1.00 0.00 C ATOM 559 O ALA A 36 9.139 3.423 -4.165 1.00 0.00 O ATOM 560 CB ALA A 36 6.508 5.196 -4.776 1.00 0.00 C ATOM 0 H ALA A 36 8.206 6.705 -4.085 1.00 0.00 H new ATOM 0 HA ALA A 36 6.692 4.746 -2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.765 4.419 -4.957 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.005 6.152 -4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.179 5.264 -5.632 1.00 0.00 H new ATOM 566 N ALA A 37 7.340 2.437 -3.362 1.00 0.00 N ATOM 567 CA ALA A 37 7.929 1.076 -3.518 1.00 0.00 C ATOM 568 C ALA A 37 7.020 0.233 -4.415 1.00 0.00 C ATOM 569 O ALA A 37 5.824 0.177 -4.219 1.00 0.00 O ATOM 570 CB ALA A 37 7.981 0.498 -2.104 1.00 0.00 C ATOM 0 H ALA A 37 6.396 2.454 -2.975 1.00 0.00 H new ATOM 0 HA ALA A 37 8.917 1.093 -3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.404 -0.506 -2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.603 1.134 -1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.973 0.453 -1.692 1.00 0.00 H new ATOM 576 N THR A 38 7.572 -0.403 -5.410 1.00 0.00 N ATOM 577 CA THR A 38 6.727 -1.217 -6.331 1.00 0.00 C ATOM 578 C THR A 38 7.219 -2.666 -6.424 1.00 0.00 C ATOM 579 O THR A 38 8.235 -3.032 -5.866 1.00 0.00 O ATOM 580 CB THR A 38 6.843 -0.521 -7.684 1.00 0.00 C ATOM 581 OG1 THR A 38 6.219 -1.323 -8.676 1.00 0.00 O ATOM 582 CG2 THR A 38 8.315 -0.321 -8.038 1.00 0.00 C ATOM 0 H THR A 38 8.569 -0.395 -5.626 1.00 0.00 H new ATOM 0 HA THR A 38 5.697 -1.278 -5.978 1.00 0.00 H new ATOM 0 HB THR A 38 6.353 0.451 -7.636 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.855 -1.993 -9.003 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.392 0.176 -9.005 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.793 0.293 -7.275 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.812 -1.290 -8.087 1.00 0.00 H new ATOM 590 N ALA A 39 6.472 -3.487 -7.116 1.00 0.00 N ATOM 591 CA ALA A 39 6.824 -4.932 -7.255 1.00 0.00 C ATOM 592 C ALA A 39 7.009 -5.547 -5.875 1.00 0.00 C ATOM 593 O ALA A 39 7.227 -4.858 -4.910 1.00 0.00 O ATOM 594 CB ALA A 39 8.119 -5.001 -8.051 1.00 0.00 C ATOM 0 H ALA A 39 5.617 -3.211 -7.599 1.00 0.00 H new ATOM 0 HA ALA A 39 6.036 -5.486 -7.765 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.414 -6.043 -8.177 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.969 -4.546 -9.030 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.903 -4.464 -7.517 1.00 0.00 H new ATOM 600 N SER A 40 6.884 -6.833 -5.767 1.00 0.00 N ATOM 601 CA SER A 40 7.023 -7.473 -4.429 1.00 0.00 C ATOM 602 C SER A 40 8.494 -7.548 -4.014 1.00 0.00 C ATOM 603 O SER A 40 9.322 -8.102 -4.711 1.00 0.00 O ATOM 604 CB SER A 40 6.441 -8.869 -4.592 1.00 0.00 C ATOM 605 OG SER A 40 7.282 -9.635 -5.445 1.00 0.00 O ATOM 0 H SER A 40 6.693 -7.470 -6.540 1.00 0.00 H new ATOM 0 HA SER A 40 6.510 -6.905 -3.653 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.352 -9.354 -3.620 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.437 -8.810 -5.011 1.00 0.00 H new ATOM 0 HG SER A 40 8.149 -9.188 -5.537 1.00 0.00 H new ATOM 611 N ARG A 41 8.818 -6.995 -2.877 1.00 0.00 N ATOM 612 CA ARG A 41 10.224 -7.028 -2.399 1.00 0.00 C ATOM 613 C ARG A 41 10.256 -7.229 -0.880 1.00 0.00 C ATOM 614 O ARG A 41 9.642 -6.493 -0.134 1.00 0.00 O ATOM 615 CB ARG A 41 10.806 -5.664 -2.774 1.00 0.00 C ATOM 616 CG ARG A 41 12.323 -5.777 -2.947 1.00 0.00 C ATOM 617 CD ARG A 41 12.640 -6.576 -4.214 1.00 0.00 C ATOM 618 NE ARG A 41 13.675 -5.775 -4.928 1.00 0.00 N ATOM 619 CZ ARG A 41 13.468 -5.387 -6.158 1.00 0.00 C ATOM 620 NH1 ARG A 41 13.305 -6.272 -7.103 1.00 0.00 N ATOM 621 NH2 ARG A 41 13.429 -4.113 -6.443 1.00 0.00 N ATOM 0 H ARG A 41 8.163 -6.519 -2.257 1.00 0.00 H new ATOM 0 HA ARG A 41 10.793 -7.845 -2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.351 -5.306 -3.698 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.573 -4.933 -1.999 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.766 -4.783 -3.012 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.762 -6.266 -2.078 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.011 -7.572 -3.970 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.750 -6.709 -4.829 1.00 0.00 H new ATOM 0 HE ARG A 41 14.545 -5.530 -4.456 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.339 -7.267 -6.881 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.143 -5.969 -8.063 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.560 -3.421 -5.705 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.267 -3.810 -7.403 1.00 0.00 H new ATOM 635 N MET A 42 10.961 -8.225 -0.418 1.00 0.00 N ATOM 636 CA MET A 42 11.027 -8.479 1.050 1.00 0.00 C ATOM 637 C MET A 42 11.730 -7.321 1.771 1.00 0.00 C ATOM 638 O MET A 42 11.386 -6.973 2.883 1.00 0.00 O ATOM 639 CB MET A 42 11.842 -9.764 1.189 1.00 0.00 C ATOM 640 CG MET A 42 11.134 -10.901 0.451 1.00 0.00 C ATOM 641 SD MET A 42 11.074 -12.364 1.515 1.00 0.00 S ATOM 642 CE MET A 42 10.998 -13.603 0.199 1.00 0.00 C ATOM 0 H MET A 42 11.495 -8.875 -0.994 1.00 0.00 H new ATOM 0 HA MET A 42 10.035 -8.567 1.494 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.842 -9.619 0.781 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.962 -10.019 2.242 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.124 -10.597 0.175 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.661 -11.132 -0.474 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.954 -14.599 0.639 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.108 -13.435 -0.408 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.886 -13.523 -0.428 1.00 0.00 H new ATOM 652 N GLN A 43 12.716 -6.729 1.152 1.00 0.00 N ATOM 653 CA GLN A 43 13.442 -5.602 1.811 1.00 0.00 C ATOM 654 C GLN A 43 12.496 -4.423 2.043 1.00 0.00 C ATOM 655 O GLN A 43 12.206 -4.060 3.167 1.00 0.00 O ATOM 656 CB GLN A 43 14.550 -5.212 0.831 1.00 0.00 C ATOM 657 CG GLN A 43 15.421 -4.114 1.451 1.00 0.00 C ATOM 658 CD GLN A 43 16.059 -4.631 2.743 1.00 0.00 C ATOM 659 OE1 GLN A 43 15.392 -4.769 3.750 1.00 0.00 O ATOM 660 NE2 GLN A 43 17.331 -4.924 2.759 1.00 0.00 N ATOM 0 H GLN A 43 13.050 -6.976 0.220 1.00 0.00 H new ATOM 0 HA GLN A 43 13.840 -5.886 2.785 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.160 -6.083 0.591 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.115 -4.860 -0.105 1.00 0.00 H new ATOM 0 HG2 GLN A 43 16.196 -3.810 0.747 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.817 -3.231 1.660 1.00 0.00 H new ATOM 0 HE21 GLN A 43 17.892 -4.809 1.915 1.00 0.00 H new ATOM 0 HE22 GLN A 43 17.764 -5.268 3.616 1.00 0.00 H new ATOM 669 N GLU A 44 12.012 -3.820 0.992 1.00 0.00 N ATOM 670 CA GLU A 44 11.086 -2.668 1.159 1.00 0.00 C ATOM 671 C GLU A 44 9.876 -3.093 1.993 1.00 0.00 C ATOM 672 O GLU A 44 9.468 -2.406 2.908 1.00 0.00 O ATOM 673 CB GLU A 44 10.656 -2.291 -0.258 1.00 0.00 C ATOM 674 CG GLU A 44 11.709 -1.376 -0.884 1.00 0.00 C ATOM 675 CD GLU A 44 12.469 -2.137 -1.972 1.00 0.00 C ATOM 676 OE1 GLU A 44 11.846 -2.507 -2.954 1.00 0.00 O ATOM 677 OE2 GLU A 44 13.662 -2.337 -1.806 1.00 0.00 O ATOM 0 H GLU A 44 12.218 -4.076 0.026 1.00 0.00 H new ATOM 0 HA GLU A 44 11.554 -1.829 1.674 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.533 -3.189 -0.863 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.689 -1.788 -0.234 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.232 -0.493 -1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.402 -1.026 -0.119 1.00 0.00 H new ATOM 684 N ALA A 45 9.308 -4.229 1.690 1.00 0.00 N ATOM 685 CA ALA A 45 8.134 -4.703 2.476 1.00 0.00 C ATOM 686 C ALA A 45 8.427 -4.515 3.962 1.00 0.00 C ATOM 687 O ALA A 45 7.645 -3.953 4.702 1.00 0.00 O ATOM 688 CB ALA A 45 8.001 -6.187 2.138 1.00 0.00 C ATOM 0 H ALA A 45 9.605 -4.847 0.935 1.00 0.00 H new ATOM 0 HA ALA A 45 7.218 -4.159 2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.155 -6.609 2.680 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.839 -6.303 1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.914 -6.709 2.426 1.00 0.00 H new ATOM 694 N LEU A 46 9.568 -4.972 4.390 1.00 0.00 N ATOM 695 CA LEU A 46 9.960 -4.821 5.817 1.00 0.00 C ATOM 696 C LEU A 46 9.811 -3.358 6.234 1.00 0.00 C ATOM 697 O LEU A 46 9.385 -3.049 7.328 1.00 0.00 O ATOM 698 CB LEU A 46 11.430 -5.243 5.850 1.00 0.00 C ATOM 699 CG LEU A 46 11.880 -5.465 7.294 1.00 0.00 C ATOM 700 CD1 LEU A 46 10.857 -6.340 8.023 1.00 0.00 C ATOM 701 CD2 LEU A 46 13.241 -6.165 7.297 1.00 0.00 C ATOM 0 H LEU A 46 10.254 -5.449 3.805 1.00 0.00 H new ATOM 0 HA LEU A 46 9.347 -5.413 6.496 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.567 -6.158 5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.047 -4.476 5.382 1.00 0.00 H new ATOM 0 HG LEU A 46 11.960 -4.504 7.801 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.180 -6.497 9.052 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.886 -5.845 8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.776 -7.302 7.518 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.566 -6.325 8.325 1.00 0.00 H new ATOM 0 HD22 LEU A 46 13.157 -7.126 6.789 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.971 -5.543 6.779 1.00 0.00 H new ATOM 713 N ASP A 47 10.166 -2.457 5.359 1.00 0.00 N ATOM 714 CA ASP A 47 10.058 -1.010 5.680 1.00 0.00 C ATOM 715 C ASP A 47 8.590 -0.570 5.709 1.00 0.00 C ATOM 716 O ASP A 47 8.270 0.509 6.166 1.00 0.00 O ATOM 717 CB ASP A 47 10.805 -0.307 4.544 1.00 0.00 C ATOM 718 CG ASP A 47 11.077 1.148 4.928 1.00 0.00 C ATOM 719 OD1 ASP A 47 11.857 1.363 5.841 1.00 0.00 O ATOM 720 OD2 ASP A 47 10.505 2.024 4.299 1.00 0.00 O ATOM 0 H ASP A 47 10.529 -2.666 4.429 1.00 0.00 H new ATOM 0 HA ASP A 47 10.472 -0.773 6.660 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.744 -0.821 4.341 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.215 -0.347 3.628 1.00 0.00 H new ATOM 725 N ILE A 48 7.691 -1.387 5.225 1.00 0.00 N ATOM 726 CA ILE A 48 6.257 -0.992 5.234 1.00 0.00 C ATOM 727 C ILE A 48 5.571 -1.531 6.484 1.00 0.00 C ATOM 728 O ILE A 48 4.590 -0.995 6.930 1.00 0.00 O ATOM 729 CB ILE A 48 5.619 -1.570 3.949 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.932 -2.915 4.226 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.683 -1.761 2.874 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.571 -3.585 2.895 1.00 0.00 C ATOM 0 H ILE A 48 7.889 -2.305 4.827 1.00 0.00 H new ATOM 0 HA ILE A 48 6.146 0.092 5.252 1.00 0.00 H new ATOM 0 HB ILE A 48 4.868 -0.860 3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.593 -3.561 4.804 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.034 -2.761 4.824 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.222 -2.168 1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.143 -0.800 2.643 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.445 -2.451 3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.083 -4.540 3.089 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.895 -2.939 2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.478 -3.752 2.314 1.00 0.00 H new ATOM 744 N ALA A 49 6.063 -2.588 7.052 1.00 0.00 N ATOM 745 CA ALA A 49 5.398 -3.122 8.263 1.00 0.00 C ATOM 746 C ALA A 49 6.047 -2.558 9.530 1.00 0.00 C ATOM 747 O ALA A 49 5.438 -1.813 10.273 1.00 0.00 O ATOM 748 CB ALA A 49 5.578 -4.638 8.189 1.00 0.00 C ATOM 0 H ALA A 49 6.886 -3.100 6.736 1.00 0.00 H new ATOM 0 HA ALA A 49 4.345 -2.842 8.304 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.109 -5.103 9.056 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.112 -5.016 7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.641 -4.878 8.179 1.00 0.00 H new ATOM 754 N ARG A 50 7.276 -2.915 9.785 1.00 0.00 N ATOM 755 CA ARG A 50 7.965 -2.411 11.009 1.00 0.00 C ATOM 756 C ARG A 50 7.920 -0.882 11.066 1.00 0.00 C ATOM 757 O ARG A 50 7.877 -0.292 12.128 1.00 0.00 O ATOM 758 CB ARG A 50 9.407 -2.901 10.881 1.00 0.00 C ATOM 759 CG ARG A 50 10.149 -2.062 9.837 1.00 0.00 C ATOM 760 CD ARG A 50 11.343 -2.857 9.305 1.00 0.00 C ATOM 761 NE ARG A 50 12.477 -2.494 10.199 1.00 0.00 N ATOM 762 CZ ARG A 50 13.599 -2.058 9.692 1.00 0.00 C ATOM 763 NH1 ARG A 50 13.727 -0.799 9.380 1.00 0.00 N ATOM 764 NH2 ARG A 50 14.593 -2.881 9.504 1.00 0.00 N ATOM 0 H ARG A 50 7.834 -3.535 9.198 1.00 0.00 H new ATOM 0 HA ARG A 50 7.489 -2.770 11.922 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.912 -2.829 11.844 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.419 -3.952 10.592 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.477 -1.801 9.019 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.489 -1.126 10.281 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.147 -3.929 9.332 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.559 -2.598 8.268 1.00 0.00 H new ATOM 0 HE ARG A 50 12.377 -2.586 11.210 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.951 -0.155 9.532 1.00 0.00 H new ATOM 0 HH12 ARG A 50 14.603 -0.458 8.984 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.494 -3.865 9.753 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.469 -2.540 9.108 1.00 0.00 H new ATOM 778 N LYS A 51 7.935 -0.234 9.934 1.00 0.00 N ATOM 779 CA LYS A 51 7.897 1.255 9.930 1.00 0.00 C ATOM 780 C LYS A 51 6.655 1.755 10.672 1.00 0.00 C ATOM 781 O LYS A 51 6.717 2.686 11.450 1.00 0.00 O ATOM 782 CB LYS A 51 7.831 1.645 8.455 1.00 0.00 C ATOM 783 CG LYS A 51 7.542 3.141 8.342 1.00 0.00 C ATOM 784 CD LYS A 51 8.596 3.923 9.128 1.00 0.00 C ATOM 785 CE LYS A 51 9.080 5.111 8.292 1.00 0.00 C ATOM 786 NZ LYS A 51 10.415 4.697 7.776 1.00 0.00 N ATOM 0 H LYS A 51 7.972 -0.671 9.013 1.00 0.00 H new ATOM 0 HA LYS A 51 8.762 1.691 10.429 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.773 1.406 7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.053 1.073 7.950 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.552 3.446 7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.547 3.361 8.729 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.175 4.275 10.070 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.435 3.274 9.377 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.390 5.327 7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.153 6.016 8.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.813 5.460 7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.052 4.504 8.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.313 3.837 7.200 1.00 0.00 H new ATOM 800 N GLY A 52 5.527 1.141 10.439 1.00 0.00 N ATOM 801 CA GLY A 52 4.283 1.580 11.132 1.00 0.00 C ATOM 802 C GLY A 52 3.812 2.908 10.540 1.00 0.00 C ATOM 803 O GLY A 52 2.780 2.984 9.905 1.00 0.00 O ATOM 0 H GLY A 52 5.413 0.355 9.799 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.506 0.824 11.021 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.469 1.691 12.200 1.00 0.00 H new ATOM 807 N GLN A 53 4.561 3.956 10.742 1.00 0.00 N ATOM 808 CA GLN A 53 4.154 5.278 10.186 1.00 0.00 C ATOM 809 C GLN A 53 4.544 5.372 8.707 1.00 0.00 C ATOM 810 O GLN A 53 5.193 6.309 8.289 1.00 0.00 O ATOM 811 CB GLN A 53 4.927 6.308 11.011 1.00 0.00 C ATOM 812 CG GLN A 53 6.427 6.165 10.739 1.00 0.00 C ATOM 813 CD GLN A 53 7.038 7.548 10.504 1.00 0.00 C ATOM 814 OE1 GLN A 53 7.084 8.023 9.387 1.00 0.00 O ATOM 815 NE2 GLN A 53 7.513 8.220 11.516 1.00 0.00 N ATOM 0 H GLN A 53 5.436 3.955 11.267 1.00 0.00 H new ATOM 0 HA GLN A 53 3.077 5.436 10.241 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.596 7.315 10.757 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.725 6.164 12.072 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.916 5.679 11.583 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.590 5.531 9.868 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.475 7.823 12.455 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.922 9.143 11.369 1.00 0.00 H new ATOM 824 N PHE A 54 4.154 4.410 7.912 1.00 0.00 N ATOM 825 CA PHE A 54 4.512 4.458 6.464 1.00 0.00 C ATOM 826 C PHE A 54 3.286 4.809 5.616 1.00 0.00 C ATOM 827 O PHE A 54 3.331 4.782 4.403 1.00 0.00 O ATOM 828 CB PHE A 54 5.036 3.067 6.121 1.00 0.00 C ATOM 829 CG PHE A 54 3.968 2.025 6.362 1.00 0.00 C ATOM 830 CD1 PHE A 54 3.845 1.438 7.623 1.00 0.00 C ATOM 831 CD2 PHE A 54 3.104 1.644 5.329 1.00 0.00 C ATOM 832 CE1 PHE A 54 2.861 0.472 7.856 1.00 0.00 C ATOM 833 CE2 PHE A 54 2.122 0.675 5.562 1.00 0.00 C ATOM 834 CZ PHE A 54 2.002 0.089 6.823 1.00 0.00 C ATOM 0 H PHE A 54 3.607 3.599 8.200 1.00 0.00 H new ATOM 0 HA PHE A 54 5.259 5.224 6.258 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.352 3.038 5.078 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.914 2.843 6.727 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.512 1.731 8.421 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.195 2.097 4.353 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.765 0.023 8.833 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.456 0.380 4.765 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.245 -0.661 7.000 1.00 0.00 H new ATOM 844 N ASP A 55 2.208 5.162 6.257 1.00 0.00 N ATOM 845 CA ASP A 55 0.965 5.563 5.531 1.00 0.00 C ATOM 846 C ASP A 55 0.314 4.417 4.738 1.00 0.00 C ATOM 847 O ASP A 55 -0.874 4.238 4.838 1.00 0.00 O ATOM 848 CB ASP A 55 1.380 6.702 4.601 1.00 0.00 C ATOM 849 CG ASP A 55 0.167 7.161 3.790 1.00 0.00 C ATOM 850 OD1 ASP A 55 -0.926 7.126 4.329 1.00 0.00 O ATOM 851 OD2 ASP A 55 0.353 7.540 2.645 1.00 0.00 O ATOM 0 H ASP A 55 2.132 5.191 7.274 1.00 0.00 H new ATOM 0 HA ASP A 55 0.201 5.864 6.248 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.779 7.534 5.182 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.174 6.370 3.932 1.00 0.00 H new ATOM 856 N ILE A 56 1.034 3.656 3.934 1.00 0.00 N ATOM 857 CA ILE A 56 0.337 2.561 3.158 1.00 0.00 C ATOM 858 C ILE A 56 1.288 1.413 2.764 1.00 0.00 C ATOM 859 O ILE A 56 2.459 1.623 2.521 1.00 0.00 O ATOM 860 CB ILE A 56 -0.203 3.246 1.902 1.00 0.00 C ATOM 861 CG1 ILE A 56 -1.231 4.314 2.300 1.00 0.00 C ATOM 862 CG2 ILE A 56 -0.865 2.197 1.004 1.00 0.00 C ATOM 863 CD1 ILE A 56 -1.948 4.836 1.054 1.00 0.00 C ATOM 0 H ILE A 56 2.039 3.738 3.783 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.443 2.101 3.765 1.00 0.00 H new ATOM 0 HB ILE A 56 0.615 3.723 1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.955 3.892 2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.734 5.136 2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.252 2.679 0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.130 1.443 0.723 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.685 1.722 1.543 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.676 5.594 1.344 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.220 5.275 0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.460 4.012 0.557 1.00 0.00 H new ATOM 875 N ALA A 57 0.784 0.189 2.690 1.00 0.00 N ATOM 876 CA ALA A 57 1.669 -0.960 2.310 1.00 0.00 C ATOM 877 C ALA A 57 0.845 -2.035 1.595 1.00 0.00 C ATOM 878 O ALA A 57 -0.200 -2.425 2.064 1.00 0.00 O ATOM 879 CB ALA A 57 2.219 -1.495 3.632 1.00 0.00 C ATOM 0 H ALA A 57 -0.189 -0.053 2.875 1.00 0.00 H new ATOM 0 HA ALA A 57 2.469 -0.663 1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.878 -2.341 3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.779 -0.708 4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.393 -1.818 4.266 1.00 0.00 H new ATOM 885 N ILE A 58 1.281 -2.511 0.456 1.00 0.00 N ATOM 886 CA ILE A 58 0.455 -3.531 -0.255 1.00 0.00 C ATOM 887 C ILE A 58 1.269 -4.720 -0.778 1.00 0.00 C ATOM 888 O ILE A 58 1.859 -4.666 -1.839 1.00 0.00 O ATOM 889 CB ILE A 58 -0.158 -2.766 -1.427 1.00 0.00 C ATOM 890 CG1 ILE A 58 -1.219 -1.804 -0.897 1.00 0.00 C ATOM 891 CG2 ILE A 58 -0.802 -3.746 -2.409 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.564 -0.468 -0.544 1.00 0.00 C ATOM 0 H ILE A 58 2.152 -2.245 -0.003 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.278 -3.969 0.423 1.00 0.00 H new ATOM 0 HB ILE A 58 0.623 -2.207 -1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.996 -1.654 -1.647 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.703 -2.228 -0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.237 -3.193 -3.242 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.045 -4.434 -2.786 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.584 -4.310 -1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.321 0.219 -0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.197 -0.627 0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.101 -0.043 -1.435 1.00 0.00 H new ATOM 904 N ILE A 59 1.239 -5.818 -0.073 1.00 0.00 N ATOM 905 CA ILE A 59 1.935 -7.042 -0.561 1.00 0.00 C ATOM 906 C ILE A 59 0.860 -7.864 -1.300 1.00 0.00 C ATOM 907 O ILE A 59 0.526 -8.979 -0.958 1.00 0.00 O ATOM 908 CB ILE A 59 2.467 -7.730 0.717 1.00 0.00 C ATOM 909 CG1 ILE A 59 3.929 -7.342 0.934 1.00 0.00 C ATOM 910 CG2 ILE A 59 2.384 -9.252 0.613 1.00 0.00 C ATOM 911 CD1 ILE A 59 4.006 -5.903 1.436 1.00 0.00 C ATOM 0 H ILE A 59 0.761 -5.920 0.822 1.00 0.00 H new ATOM 0 HA ILE A 59 2.768 -6.883 -1.246 1.00 0.00 H new ATOM 0 HB ILE A 59 1.848 -7.400 1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.391 -8.015 1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.485 -7.443 0.002 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.767 -9.701 1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.346 -9.551 0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.980 -9.592 -0.234 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.049 -5.627 1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.560 -5.236 0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.464 -5.817 2.378 1.00 0.00 H new ATOM 923 N ASP A 60 0.277 -7.256 -2.296 1.00 0.00 N ATOM 924 CA ASP A 60 -0.827 -7.908 -3.066 1.00 0.00 C ATOM 925 C ASP A 60 -0.508 -9.363 -3.422 1.00 0.00 C ATOM 926 O ASP A 60 0.579 -9.859 -3.198 1.00 0.00 O ATOM 927 CB ASP A 60 -0.968 -7.036 -4.321 1.00 0.00 C ATOM 928 CG ASP A 60 -1.415 -7.877 -5.526 1.00 0.00 C ATOM 929 OD1 ASP A 60 -0.556 -8.457 -6.167 1.00 0.00 O ATOM 930 OD2 ASP A 60 -2.608 -7.930 -5.783 1.00 0.00 O ATOM 0 H ASP A 60 0.521 -6.319 -2.616 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.749 -7.966 -2.488 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.692 -6.242 -4.138 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.016 -6.554 -4.542 1.00 0.00 H new ATOM 935 N VAL A 61 -1.477 -10.039 -3.982 1.00 0.00 N ATOM 936 CA VAL A 61 -1.291 -11.460 -4.375 1.00 0.00 C ATOM 937 C VAL A 61 -0.921 -12.304 -3.145 1.00 0.00 C ATOM 938 O VAL A 61 0.177 -12.238 -2.628 1.00 0.00 O ATOM 939 CB VAL A 61 -0.191 -11.410 -5.446 1.00 0.00 C ATOM 940 CG1 VAL A 61 1.094 -12.101 -4.976 1.00 0.00 C ATOM 941 CG2 VAL A 61 -0.696 -12.101 -6.712 1.00 0.00 C ATOM 0 H VAL A 61 -2.401 -9.658 -4.185 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.189 -11.934 -4.772 1.00 0.00 H new ATOM 0 HB VAL A 61 0.042 -10.363 -5.642 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.847 -12.043 -5.762 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.467 -11.605 -4.080 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.884 -13.147 -4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.079 -12.070 -7.478 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.942 -13.139 -6.487 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.586 -11.588 -7.076 1.00 0.00 H new ATOM 951 N ASN A 62 -1.854 -13.078 -2.662 1.00 0.00 N ATOM 952 CA ASN A 62 -1.594 -13.919 -1.462 1.00 0.00 C ATOM 953 C ASN A 62 -2.156 -15.327 -1.674 1.00 0.00 C ATOM 954 O ASN A 62 -2.964 -15.810 -0.905 1.00 0.00 O ATOM 955 CB ASN A 62 -2.322 -13.208 -0.320 1.00 0.00 C ATOM 956 CG ASN A 62 -1.336 -12.311 0.429 1.00 0.00 C ATOM 957 OD1 ASN A 62 -0.634 -12.763 1.311 1.00 0.00 O ATOM 958 ND2 ASN A 62 -1.247 -11.048 0.110 1.00 0.00 N ATOM 0 H ASN A 62 -2.793 -13.164 -3.052 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.530 -14.034 -1.255 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.146 -12.613 -0.714 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.755 -13.940 0.362 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.589 -10.443 0.601 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.836 -10.666 -0.630 1.00 0.00 H new ATOM 965 N LEU A 63 -1.731 -15.986 -2.714 1.00 0.00 N ATOM 966 CA LEU A 63 -2.228 -17.362 -2.989 1.00 0.00 C ATOM 967 C LEU A 63 -1.162 -18.136 -3.765 1.00 0.00 C ATOM 968 O LEU A 63 -0.036 -17.697 -3.880 1.00 0.00 O ATOM 969 CB LEU A 63 -3.492 -17.169 -3.828 1.00 0.00 C ATOM 970 CG LEU A 63 -3.176 -16.286 -5.036 1.00 0.00 C ATOM 971 CD1 LEU A 63 -4.137 -16.623 -6.179 1.00 0.00 C ATOM 972 CD2 LEU A 63 -3.341 -14.815 -4.647 1.00 0.00 C ATOM 0 H LEU A 63 -1.056 -15.628 -3.390 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.441 -17.928 -2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.871 -18.135 -4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.275 -16.710 -3.224 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.151 -16.464 -5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.913 -15.994 -7.040 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.021 -17.671 -6.455 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.163 -16.444 -5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.116 -14.184 -5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.367 -14.637 -4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.658 -14.575 -3.832 1.00 0.00 H new ATOM 984 N ASP A 64 -1.491 -19.282 -4.295 1.00 0.00 N ATOM 985 CA ASP A 64 -0.465 -20.057 -5.049 1.00 0.00 C ATOM 986 C ASP A 64 0.835 -20.088 -4.242 1.00 0.00 C ATOM 987 O ASP A 64 1.915 -20.220 -4.784 1.00 0.00 O ATOM 988 CB ASP A 64 -0.268 -19.285 -6.355 1.00 0.00 C ATOM 989 CG ASP A 64 -0.047 -20.267 -7.509 1.00 0.00 C ATOM 990 OD1 ASP A 64 1.084 -20.686 -7.696 1.00 0.00 O ATOM 991 OD2 ASP A 64 -1.011 -20.580 -8.188 1.00 0.00 O ATOM 0 H ASP A 64 -2.415 -19.712 -4.240 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.763 -21.089 -5.233 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.141 -18.664 -6.556 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.587 -18.615 -6.267 1.00 0.00 H new ATOM 996 N GLY A 65 0.734 -19.955 -2.946 1.00 0.00 N ATOM 997 CA GLY A 65 1.954 -19.961 -2.091 1.00 0.00 C ATOM 998 C GLY A 65 1.846 -18.851 -1.048 1.00 0.00 C ATOM 999 O GLY A 65 2.504 -18.874 -0.027 1.00 0.00 O ATOM 0 H GLY A 65 -0.146 -19.842 -2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.063 -20.928 -1.600 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.843 -19.814 -2.705 1.00 0.00 H new ATOM 1003 N GLU A 66 1.020 -17.877 -1.303 1.00 0.00 N ATOM 1004 CA GLU A 66 0.862 -16.756 -0.335 1.00 0.00 C ATOM 1005 C GLU A 66 2.205 -16.055 -0.113 1.00 0.00 C ATOM 1006 O GLU A 66 2.716 -16.024 0.990 1.00 0.00 O ATOM 1007 CB GLU A 66 0.375 -17.409 0.958 1.00 0.00 C ATOM 1008 CG GLU A 66 -0.554 -16.444 1.697 1.00 0.00 C ATOM 1009 CD GLU A 66 -1.593 -17.242 2.487 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -1.223 -18.252 3.060 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -2.741 -16.829 2.504 1.00 0.00 O ATOM 0 H GLU A 66 0.445 -17.808 -2.143 1.00 0.00 H new ATOM 0 HA GLU A 66 0.165 -15.998 -0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.151 -18.337 0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.225 -17.668 1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.023 -15.811 2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.050 -15.784 0.986 1.00 0.00 H new ATOM 1018 N PRO A 67 2.731 -15.511 -1.176 1.00 0.00 N ATOM 1019 CA PRO A 67 4.029 -14.795 -1.108 1.00 0.00 C ATOM 1020 C PRO A 67 3.864 -13.457 -0.391 1.00 0.00 C ATOM 1021 O PRO A 67 4.046 -12.407 -0.974 1.00 0.00 O ATOM 1022 CB PRO A 67 4.391 -14.571 -2.572 1.00 0.00 C ATOM 1023 CG PRO A 67 3.084 -14.591 -3.298 1.00 0.00 C ATOM 1024 CD PRO A 67 2.171 -15.511 -2.531 1.00 0.00 C ATOM 0 HA PRO A 67 4.791 -15.348 -0.559 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.906 -13.620 -2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.058 -15.351 -2.938 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.660 -13.589 -3.358 1.00 0.00 H new ATOM 0 HG3 PRO A 67 3.216 -14.943 -4.321 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.142 -15.151 -2.538 1.00 0.00 H new ATOM 0 HD3 PRO A 67 2.161 -16.513 -2.960 1.00 0.00 H new ATOM 1032 N SER A 68 3.518 -13.476 0.864 1.00 0.00 N ATOM 1033 CA SER A 68 3.345 -12.188 1.589 1.00 0.00 C ATOM 1034 C SER A 68 4.248 -12.132 2.825 1.00 0.00 C ATOM 1035 O SER A 68 4.235 -11.172 3.565 1.00 0.00 O ATOM 1036 CB SER A 68 1.873 -12.152 1.992 1.00 0.00 C ATOM 1037 OG SER A 68 1.495 -13.420 2.512 1.00 0.00 O ATOM 0 H SER A 68 3.349 -14.318 1.415 1.00 0.00 H new ATOM 0 HA SER A 68 3.619 -11.334 0.970 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.708 -11.376 2.740 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.255 -11.901 1.130 1.00 0.00 H new ATOM 0 HG SER A 68 0.609 -13.663 2.171 1.00 0.00 H new ATOM 1043 N TYR A 69 5.048 -13.147 3.037 1.00 0.00 N ATOM 1044 CA TYR A 69 5.970 -13.173 4.212 1.00 0.00 C ATOM 1045 C TYR A 69 5.214 -12.766 5.481 1.00 0.00 C ATOM 1046 O TYR A 69 4.054 -12.406 5.433 1.00 0.00 O ATOM 1047 CB TYR A 69 7.143 -12.202 3.913 1.00 0.00 C ATOM 1048 CG TYR A 69 6.848 -11.301 2.726 1.00 0.00 C ATOM 1049 CD1 TYR A 69 6.662 -11.847 1.448 1.00 0.00 C ATOM 1050 CD2 TYR A 69 6.752 -9.919 2.911 1.00 0.00 C ATOM 1051 CE1 TYR A 69 6.376 -11.009 0.362 1.00 0.00 C ATOM 1052 CE2 TYR A 69 6.469 -9.081 1.825 1.00 0.00 C ATOM 1053 CZ TYR A 69 6.280 -9.626 0.552 1.00 0.00 C ATOM 1054 OH TYR A 69 6.000 -8.800 -0.518 1.00 0.00 O ATOM 0 H TYR A 69 5.101 -13.970 2.437 1.00 0.00 H new ATOM 0 HA TYR A 69 6.362 -14.176 4.379 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.340 -11.589 4.793 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.048 -12.777 3.716 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.739 -12.914 1.301 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.896 -9.496 3.894 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.230 -11.430 -0.622 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.397 -8.013 1.971 1.00 0.00 H new ATOM 0 HH TYR A 69 5.452 -9.284 -1.171 1.00 0.00 H new ATOM 1064 N PRO A 70 5.889 -12.865 6.587 1.00 0.00 N ATOM 1065 CA PRO A 70 5.264 -12.523 7.881 1.00 0.00 C ATOM 1066 C PRO A 70 5.213 -11.010 8.083 1.00 0.00 C ATOM 1067 O PRO A 70 4.714 -10.530 9.082 1.00 0.00 O ATOM 1068 CB PRO A 70 6.185 -13.174 8.905 1.00 0.00 C ATOM 1069 CG PRO A 70 7.518 -13.282 8.229 1.00 0.00 C ATOM 1070 CD PRO A 70 7.279 -13.301 6.737 1.00 0.00 C ATOM 0 HA PRO A 70 4.232 -12.867 7.955 1.00 0.00 H new ATOM 0 HB2 PRO A 70 6.252 -12.573 9.812 1.00 0.00 H new ATOM 0 HB3 PRO A 70 5.813 -14.155 9.200 1.00 0.00 H new ATOM 0 HG2 PRO A 70 8.155 -12.441 8.503 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.034 -14.189 8.545 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.964 -12.632 6.216 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.430 -14.298 6.323 1.00 0.00 H new ATOM 1078 N VAL A 71 5.714 -10.245 7.151 1.00 0.00 N ATOM 1079 CA VAL A 71 5.671 -8.766 7.340 1.00 0.00 C ATOM 1080 C VAL A 71 4.309 -8.230 6.890 1.00 0.00 C ATOM 1081 O VAL A 71 3.711 -7.402 7.545 1.00 0.00 O ATOM 1082 CB VAL A 71 6.840 -8.163 6.524 1.00 0.00 C ATOM 1083 CG1 VAL A 71 7.941 -9.208 6.309 1.00 0.00 C ATOM 1084 CG2 VAL A 71 6.350 -7.652 5.165 1.00 0.00 C ATOM 0 H VAL A 71 6.143 -10.570 6.284 1.00 0.00 H new ATOM 0 HA VAL A 71 5.787 -8.488 8.387 1.00 0.00 H new ATOM 0 HB VAL A 71 7.245 -7.325 7.092 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.755 -8.766 5.734 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.319 -9.542 7.275 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.533 -10.060 5.765 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.189 -7.233 4.610 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.917 -8.478 4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.594 -6.881 5.317 1.00 0.00 H new ATOM 1094 N ALA A 72 3.803 -8.717 5.791 1.00 0.00 N ATOM 1095 CA ALA A 72 2.468 -8.259 5.318 1.00 0.00 C ATOM 1096 C ALA A 72 1.382 -8.979 6.111 1.00 0.00 C ATOM 1097 O ALA A 72 0.515 -8.365 6.700 1.00 0.00 O ATOM 1098 CB ALA A 72 2.411 -8.662 3.857 1.00 0.00 C ATOM 0 H ALA A 72 4.257 -9.413 5.200 1.00 0.00 H new ATOM 0 HA ALA A 72 2.317 -7.187 5.447 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.454 -8.359 3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.220 -8.174 3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.518 -9.743 3.773 1.00 0.00 H new ATOM 1104 N ASP A 73 1.433 -10.283 6.144 1.00 0.00 N ATOM 1105 CA ASP A 73 0.413 -11.037 6.916 1.00 0.00 C ATOM 1106 C ASP A 73 0.211 -10.379 8.276 1.00 0.00 C ATOM 1107 O ASP A 73 -0.890 -10.035 8.660 1.00 0.00 O ATOM 1108 CB ASP A 73 0.998 -12.431 7.089 1.00 0.00 C ATOM 1109 CG ASP A 73 0.528 -13.333 5.947 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -0.278 -12.877 5.152 1.00 0.00 O ATOM 1111 OD2 ASP A 73 0.979 -14.465 5.888 1.00 0.00 O ATOM 0 H ASP A 73 2.134 -10.854 5.671 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.555 -11.061 6.415 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.087 -12.380 7.100 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.688 -12.849 8.047 1.00 0.00 H new ATOM 1116 N ILE A 74 1.277 -10.193 9.002 1.00 0.00 N ATOM 1117 CA ILE A 74 1.162 -9.544 10.336 1.00 0.00 C ATOM 1118 C ILE A 74 0.592 -8.139 10.165 1.00 0.00 C ATOM 1119 O ILE A 74 -0.370 -7.757 10.809 1.00 0.00 O ATOM 1120 CB ILE A 74 2.591 -9.464 10.860 1.00 0.00 C ATOM 1121 CG1 ILE A 74 3.136 -10.870 11.100 1.00 0.00 C ATOM 1122 CG2 ILE A 74 2.612 -8.685 12.177 1.00 0.00 C ATOM 1123 CD1 ILE A 74 4.546 -10.762 11.680 1.00 0.00 C ATOM 0 H ILE A 74 2.222 -10.462 8.729 1.00 0.00 H new ATOM 0 HA ILE A 74 0.508 -10.092 11.014 1.00 0.00 H new ATOM 0 HB ILE A 74 3.212 -8.956 10.122 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.487 -11.414 11.786 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.155 -11.432 10.166 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.635 -8.629 12.550 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.231 -7.678 12.010 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.986 -9.193 12.910 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.945 -11.761 11.855 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.189 -10.233 10.977 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.511 -10.215 12.622 1.00 0.00 H new ATOM 1135 N LEU A 75 1.175 -7.372 9.288 1.00 0.00 N ATOM 1136 CA LEU A 75 0.670 -5.997 9.056 1.00 0.00 C ATOM 1137 C LEU A 75 -0.851 -6.039 8.911 1.00 0.00 C ATOM 1138 O LEU A 75 -1.543 -5.089 9.214 1.00 0.00 O ATOM 1139 CB LEU A 75 1.337 -5.558 7.754 1.00 0.00 C ATOM 1140 CG LEU A 75 1.185 -4.049 7.583 1.00 0.00 C ATOM 1141 CD1 LEU A 75 1.980 -3.334 8.675 1.00 0.00 C ATOM 1142 CD2 LEU A 75 1.724 -3.640 6.212 1.00 0.00 C ATOM 0 H LEU A 75 1.980 -7.641 8.723 1.00 0.00 H new ATOM 0 HA LEU A 75 0.895 -5.309 9.871 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.393 -5.828 7.766 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.885 -6.077 6.909 1.00 0.00 H new ATOM 0 HG LEU A 75 0.133 -3.775 7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.874 -2.256 8.556 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.602 -3.630 9.653 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.033 -3.606 8.596 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.617 -2.563 6.086 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.777 -3.911 6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.162 -4.154 5.432 1.00 0.00 H new ATOM 1154 N ALA A 76 -1.374 -7.149 8.462 1.00 0.00 N ATOM 1155 CA ALA A 76 -2.844 -7.273 8.308 1.00 0.00 C ATOM 1156 C ALA A 76 -3.468 -7.748 9.626 1.00 0.00 C ATOM 1157 O ALA A 76 -4.630 -7.516 9.891 1.00 0.00 O ATOM 1158 CB ALA A 76 -3.049 -8.311 7.204 1.00 0.00 C ATOM 0 H ALA A 76 -0.840 -7.976 8.195 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.316 -6.324 8.055 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.116 -8.456 7.034 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -2.579 -7.962 6.284 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.598 -9.257 7.505 1.00 0.00 H new ATOM 1164 N GLU A 77 -2.701 -8.405 10.458 1.00 0.00 N ATOM 1165 CA GLU A 77 -3.249 -8.881 11.758 1.00 0.00 C ATOM 1166 C GLU A 77 -3.598 -7.670 12.635 1.00 0.00 C ATOM 1167 O GLU A 77 -4.367 -7.768 13.572 1.00 0.00 O ATOM 1168 CB GLU A 77 -2.129 -9.753 12.366 1.00 0.00 C ATOM 1169 CG GLU A 77 -1.498 -9.081 13.595 1.00 0.00 C ATOM 1170 CD GLU A 77 -0.648 -10.102 14.356 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -0.721 -11.272 14.019 1.00 0.00 O ATOM 1172 OE2 GLU A 77 0.060 -9.696 15.263 1.00 0.00 O ATOM 0 H GLU A 77 -1.720 -8.631 10.291 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.168 -9.458 11.661 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.535 -10.724 12.649 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.360 -9.936 11.615 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.881 -8.238 13.285 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.277 -8.684 14.246 1.00 0.00 H new ATOM 1179 N ARG A 78 -3.044 -6.526 12.324 1.00 0.00 N ATOM 1180 CA ARG A 78 -3.344 -5.304 13.117 1.00 0.00 C ATOM 1181 C ARG A 78 -3.900 -4.213 12.199 1.00 0.00 C ATOM 1182 O ARG A 78 -4.717 -3.405 12.595 1.00 0.00 O ATOM 1183 CB ARG A 78 -2.010 -4.872 13.733 1.00 0.00 C ATOM 1184 CG ARG A 78 -1.027 -4.469 12.629 1.00 0.00 C ATOM 1185 CD ARG A 78 0.395 -4.850 13.052 1.00 0.00 C ATOM 1186 NE ARG A 78 0.987 -3.598 13.605 1.00 0.00 N ATOM 1187 CZ ARG A 78 1.515 -2.711 12.803 1.00 0.00 C ATOM 1188 NH1 ARG A 78 2.751 -2.843 12.401 1.00 0.00 N ATOM 1189 NH2 ARG A 78 0.808 -1.689 12.406 1.00 0.00 N ATOM 0 H ARG A 78 -2.394 -6.389 11.550 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.092 -5.487 13.888 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.169 -4.035 14.413 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.592 -5.687 14.323 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.287 -4.968 11.695 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.089 -3.396 12.445 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.384 -5.644 13.799 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.973 -5.218 12.204 1.00 0.00 H new ATOM 0 HE ARG A 78 0.980 -3.433 14.612 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.306 -3.640 12.713 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.161 -2.149 11.775 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.156 -1.582 12.721 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.219 -0.996 11.780 1.00 0.00 H new ATOM 1203 N ASN A 79 -3.474 -4.204 10.966 1.00 0.00 N ATOM 1204 CA ASN A 79 -3.979 -3.194 9.992 1.00 0.00 C ATOM 1205 C ASN A 79 -3.860 -1.764 10.537 1.00 0.00 C ATOM 1206 O ASN A 79 -4.778 -1.232 11.129 1.00 0.00 O ATOM 1207 CB ASN A 79 -5.450 -3.550 9.768 1.00 0.00 C ATOM 1208 CG ASN A 79 -5.632 -5.071 9.749 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -5.793 -5.687 10.784 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -5.614 -5.705 8.609 1.00 0.00 N ATOM 0 H ASN A 79 -2.791 -4.860 10.587 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.396 -3.217 9.071 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.061 -3.114 10.558 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.795 -3.124 8.826 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.735 -6.718 8.587 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.479 -5.188 7.740 1.00 0.00 H new ATOM 1217 N VAL A 80 -2.746 -1.132 10.303 1.00 0.00 N ATOM 1218 CA VAL A 80 -2.555 0.278 10.755 1.00 0.00 C ATOM 1219 C VAL A 80 -3.043 1.187 9.609 1.00 0.00 C ATOM 1220 O VAL A 80 -3.497 0.673 8.607 1.00 0.00 O ATOM 1221 CB VAL A 80 -1.030 0.360 11.001 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -0.318 1.164 9.900 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -0.759 0.995 12.369 1.00 0.00 C ATOM 0 H VAL A 80 -1.948 -1.535 9.812 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.100 0.582 11.648 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.633 -0.655 10.980 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.751 1.199 10.109 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.484 0.685 8.935 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.716 2.178 9.875 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.316 1.051 12.538 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.183 1.999 12.394 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.218 0.388 13.149 1.00 0.00 H new ATOM 1233 N PRO A 81 -2.924 2.490 9.734 1.00 0.00 N ATOM 1234 CA PRO A 81 -3.360 3.358 8.617 1.00 0.00 C ATOM 1235 C PRO A 81 -2.589 2.921 7.384 1.00 0.00 C ATOM 1236 O PRO A 81 -1.375 2.920 7.366 1.00 0.00 O ATOM 1237 CB PRO A 81 -3.009 4.767 9.093 1.00 0.00 C ATOM 1238 CG PRO A 81 -1.960 4.544 10.129 1.00 0.00 C ATOM 1239 CD PRO A 81 -2.381 3.282 10.840 1.00 0.00 C ATOM 0 HA PRO A 81 -4.417 3.309 8.357 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.638 5.384 8.275 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.878 5.277 9.508 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.975 4.433 9.676 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.901 5.386 10.819 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.541 2.786 11.326 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.127 3.475 11.611 1.00 0.00 H new ATOM 1247 N PHE A 82 -3.286 2.485 6.378 1.00 0.00 N ATOM 1248 CA PHE A 82 -2.589 1.964 5.173 1.00 0.00 C ATOM 1249 C PHE A 82 -3.581 1.517 4.102 1.00 0.00 C ATOM 1250 O PHE A 82 -4.613 2.120 3.885 1.00 0.00 O ATOM 1251 CB PHE A 82 -1.806 0.752 5.694 1.00 0.00 C ATOM 1252 CG PHE A 82 -2.740 -0.416 5.983 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -4.123 -0.221 6.151 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.208 -1.705 6.096 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -4.959 -1.308 6.428 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.048 -2.792 6.372 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.422 -2.593 6.539 1.00 0.00 C ATOM 0 H PHE A 82 -4.305 2.466 6.336 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.959 2.722 4.708 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.060 0.452 4.958 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.267 1.025 6.601 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.541 0.771 6.066 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.147 -1.863 5.970 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.020 -1.154 6.556 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.633 -3.786 6.456 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.067 -3.432 6.754 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.260 0.439 3.455 1.00 0.00 N ATOM 1268 CA ILE A 83 -4.132 -0.124 2.407 1.00 0.00 C ATOM 1269 C ILE A 83 -3.503 -1.431 1.957 1.00 0.00 C ATOM 1270 O ILE A 83 -2.289 -1.578 1.994 1.00 0.00 O ATOM 1271 CB ILE A 83 -4.142 0.913 1.291 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.464 1.682 1.321 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -3.986 0.234 -0.082 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -5.212 3.146 0.951 1.00 0.00 C ATOM 0 H ILE A 83 -2.402 -0.088 3.617 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.152 -0.330 2.732 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.307 1.596 1.445 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.172 1.236 0.623 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.911 1.618 2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.996 0.992 -0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.042 -0.309 -0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.810 -0.462 -0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.154 3.694 0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.519 3.588 1.667 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.784 3.200 -0.050 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.312 -2.364 1.554 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.786 -3.679 1.114 1.00 0.00 C ATOM 1288 C PHE A 84 -4.789 -4.332 0.155 1.00 0.00 C ATOM 1289 O PHE A 84 -5.956 -3.976 0.116 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.676 -4.466 2.417 1.00 0.00 C ATOM 1291 CG PHE A 84 -2.566 -5.494 2.340 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -2.712 -6.630 1.535 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -1.398 -5.319 3.097 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -1.689 -7.589 1.485 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -0.377 -6.277 3.044 1.00 0.00 C ATOM 1296 CZ PHE A 84 -0.523 -7.410 2.240 1.00 0.00 C ATOM 0 H PHE A 84 -5.327 -2.270 1.510 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.836 -3.623 0.582 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.486 -3.782 3.244 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.623 -4.963 2.626 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.611 -6.768 0.953 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.286 -4.445 3.721 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.801 -8.466 0.864 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.523 -6.139 3.625 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.264 -8.149 2.201 1.00 0.00 H new ATOM 1306 N ALA A 85 -4.363 -5.281 -0.624 1.00 0.00 N ATOM 1307 CA ALA A 85 -5.327 -5.920 -1.556 1.00 0.00 C ATOM 1308 C ALA A 85 -4.738 -7.191 -2.178 1.00 0.00 C ATOM 1309 O ALA A 85 -3.651 -7.178 -2.713 1.00 0.00 O ATOM 1310 CB ALA A 85 -5.582 -4.871 -2.637 1.00 0.00 C ATOM 0 H ALA A 85 -3.408 -5.637 -0.657 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.240 -6.223 -1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.287 -5.266 -3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.997 -3.972 -2.181 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.644 -4.625 -3.134 1.00 0.00 H new ATOM 1316 N THR A 86 -5.452 -8.285 -2.129 1.00 0.00 N ATOM 1317 CA THR A 86 -4.926 -9.541 -2.734 1.00 0.00 C ATOM 1318 C THR A 86 -6.008 -10.625 -2.777 1.00 0.00 C ATOM 1319 O THR A 86 -7.160 -10.357 -3.054 1.00 0.00 O ATOM 1320 CB THR A 86 -3.771 -9.957 -1.828 1.00 0.00 C ATOM 1321 OG1 THR A 86 -3.042 -11.013 -2.433 1.00 0.00 O ATOM 1322 CG2 THR A 86 -4.304 -10.414 -0.476 1.00 0.00 C ATOM 0 H THR A 86 -6.373 -8.362 -1.698 1.00 0.00 H new ATOM 0 HA THR A 86 -4.605 -9.395 -3.766 1.00 0.00 H new ATOM 0 HB THR A 86 -3.113 -9.101 -1.681 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.387 -11.173 -3.336 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.471 -10.709 0.163 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.851 -9.597 -0.005 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.972 -11.264 -0.617 1.00 0.00 H new ATOM 1330 N GLY A 87 -5.638 -11.850 -2.526 1.00 0.00 N ATOM 1331 CA GLY A 87 -6.625 -12.964 -2.574 1.00 0.00 C ATOM 1332 C GLY A 87 -7.716 -12.796 -1.509 1.00 0.00 C ATOM 1333 O GLY A 87 -8.878 -13.044 -1.772 1.00 0.00 O ATOM 0 H GLY A 87 -4.686 -12.129 -2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.083 -13.003 -3.562 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.111 -13.913 -2.423 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.373 -12.417 -0.305 1.00 0.00 N ATOM 1338 CA TYR A 88 -8.432 -12.292 0.741 1.00 0.00 C ATOM 1339 C TYR A 88 -9.368 -11.107 0.457 1.00 0.00 C ATOM 1340 O TYR A 88 -10.451 -11.027 1.003 1.00 0.00 O ATOM 1341 CB TYR A 88 -7.695 -12.172 2.085 1.00 0.00 C ATOM 1342 CG TYR A 88 -7.183 -10.772 2.332 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -6.732 -9.981 1.275 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -7.147 -10.275 3.640 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -6.244 -8.689 1.525 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -6.660 -8.987 3.891 1.00 0.00 C ATOM 1347 CZ TYR A 88 -6.210 -8.193 2.832 1.00 0.00 C ATOM 1348 OH TYR A 88 -5.724 -6.923 3.076 1.00 0.00 O ATOM 0 H TYR A 88 -6.425 -12.192 -0.004 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.090 -13.161 0.753 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.368 -12.459 2.893 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -6.859 -12.871 2.103 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.758 -10.363 0.265 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.496 -10.887 4.458 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -5.894 -8.077 0.707 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -6.632 -8.607 4.902 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.765 -6.896 2.877 1.00 0.00 H new ATOM 1358 N GLY A 89 -8.992 -10.206 -0.415 1.00 0.00 N ATOM 1359 CA GLY A 89 -9.906 -9.068 -0.740 1.00 0.00 C ATOM 1360 C GLY A 89 -10.339 -8.367 0.541 1.00 0.00 C ATOM 1361 O GLY A 89 -11.485 -8.000 0.709 1.00 0.00 O ATOM 0 H GLY A 89 -8.101 -10.208 -0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.401 -8.361 -1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.781 -9.435 -1.277 1.00 0.00 H new ATOM 1365 N SER A 90 -9.420 -8.174 1.434 1.00 0.00 N ATOM 1366 CA SER A 90 -9.726 -7.488 2.718 1.00 0.00 C ATOM 1367 C SER A 90 -10.571 -8.386 3.640 1.00 0.00 C ATOM 1368 O SER A 90 -11.784 -8.382 3.594 1.00 0.00 O ATOM 1369 CB SER A 90 -10.486 -6.215 2.326 1.00 0.00 C ATOM 1370 OG SER A 90 -11.887 -6.451 2.380 1.00 0.00 O ATOM 0 H SER A 90 -8.449 -8.467 1.330 1.00 0.00 H new ATOM 0 HA SER A 90 -8.821 -7.257 3.279 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.220 -5.400 2.999 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.199 -5.905 1.321 1.00 0.00 H new ATOM 0 HG SER A 90 -12.077 -7.362 2.073 1.00 0.00 H new ATOM 1376 N LYS A 91 -9.932 -9.147 4.490 1.00 0.00 N ATOM 1377 CA LYS A 91 -10.686 -10.030 5.428 1.00 0.00 C ATOM 1378 C LYS A 91 -11.450 -9.169 6.435 1.00 0.00 C ATOM 1379 O LYS A 91 -12.347 -9.623 7.117 1.00 0.00 O ATOM 1380 CB LYS A 91 -9.610 -10.845 6.146 1.00 0.00 C ATOM 1381 CG LYS A 91 -8.662 -9.891 6.881 1.00 0.00 C ATOM 1382 CD LYS A 91 -8.549 -10.312 8.350 1.00 0.00 C ATOM 1383 CE LYS A 91 -7.792 -9.239 9.145 1.00 0.00 C ATOM 1384 NZ LYS A 91 -8.421 -9.236 10.498 1.00 0.00 N ATOM 0 H LYS A 91 -8.917 -9.195 4.575 1.00 0.00 H new ATOM 0 HA LYS A 91 -11.410 -10.665 4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.071 -11.535 6.853 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.054 -11.448 5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.679 -9.905 6.411 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.033 -8.868 6.812 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.543 -10.457 8.773 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.029 -11.267 8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.729 -9.471 9.206 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.878 -8.262 8.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.954 -8.526 11.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.431 -9.005 10.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.317 -10.176 10.931 1.00 0.00 H new ATOM 1398 N GLY A 92 -11.074 -7.928 6.530 1.00 0.00 N ATOM 1399 CA GLY A 92 -11.727 -6.991 7.483 1.00 0.00 C ATOM 1400 C GLY A 92 -10.748 -5.852 7.754 1.00 0.00 C ATOM 1401 O GLY A 92 -10.597 -5.391 8.868 1.00 0.00 O ATOM 0 H GLY A 92 -10.325 -7.514 5.975 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.657 -6.605 7.065 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.983 -7.504 8.410 1.00 0.00 H new ATOM 1405 N LEU A 93 -10.069 -5.413 6.729 1.00 0.00 N ATOM 1406 CA LEU A 93 -9.074 -4.319 6.888 1.00 0.00 C ATOM 1407 C LEU A 93 -9.690 -3.128 7.620 1.00 0.00 C ATOM 1408 O LEU A 93 -10.569 -2.459 7.112 1.00 0.00 O ATOM 1409 CB LEU A 93 -8.691 -3.941 5.456 1.00 0.00 C ATOM 1410 CG LEU A 93 -7.575 -2.896 5.481 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -6.608 -3.146 4.323 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -8.186 -1.505 5.336 1.00 0.00 C ATOM 0 H LEU A 93 -10.164 -5.771 5.779 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.211 -4.625 7.480 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.362 -4.826 4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.560 -3.547 4.929 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.034 -2.966 6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.814 -2.399 4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.173 -4.141 4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.146 -3.076 3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.394 -0.756 5.353 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.725 -1.441 4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.876 -1.323 6.160 1.00 0.00 H new ATOM 1424 N ASP A 94 -9.222 -2.847 8.804 1.00 0.00 N ATOM 1425 CA ASP A 94 -9.766 -1.687 9.562 1.00 0.00 C ATOM 1426 C ASP A 94 -8.743 -0.556 9.543 1.00 0.00 C ATOM 1427 O ASP A 94 -7.550 -0.784 9.576 1.00 0.00 O ATOM 1428 CB ASP A 94 -10.005 -2.193 10.986 1.00 0.00 C ATOM 1429 CG ASP A 94 -8.730 -2.842 11.524 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -7.891 -2.117 12.033 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -8.616 -4.051 11.422 1.00 0.00 O ATOM 0 H ASP A 94 -8.487 -3.370 9.279 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.690 -1.300 9.132 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.303 -1.366 11.631 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.822 -2.914 10.993 1.00 0.00 H new ATOM 1436 N THR A 95 -9.200 0.657 9.465 1.00 0.00 N ATOM 1437 CA THR A 95 -8.258 1.806 9.410 1.00 0.00 C ATOM 1438 C THR A 95 -9.038 3.113 9.300 1.00 0.00 C ATOM 1439 O THR A 95 -10.252 3.122 9.241 1.00 0.00 O ATOM 1440 CB THR A 95 -7.458 1.564 8.130 1.00 0.00 C ATOM 1441 OG1 THR A 95 -6.575 2.648 7.896 1.00 0.00 O ATOM 1442 CG2 THR A 95 -8.425 1.417 6.953 1.00 0.00 C ATOM 0 H THR A 95 -10.189 0.905 9.437 1.00 0.00 H new ATOM 0 HA THR A 95 -7.627 1.882 10.296 1.00 0.00 H new ATOM 0 HB THR A 95 -6.871 0.652 8.237 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.522 2.825 6.934 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.860 1.244 6.037 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.091 0.573 7.133 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.014 2.329 6.850 1.00 0.00 H new ATOM 1450 N ARG A 96 -8.352 4.218 9.247 1.00 0.00 N ATOM 1451 CA ARG A 96 -9.056 5.522 9.113 1.00 0.00 C ATOM 1452 C ARG A 96 -9.467 5.731 7.655 1.00 0.00 C ATOM 1453 O ARG A 96 -9.986 6.766 7.285 1.00 0.00 O ATOM 1454 CB ARG A 96 -8.022 6.571 9.523 1.00 0.00 C ATOM 1455 CG ARG A 96 -7.764 6.475 11.028 1.00 0.00 C ATOM 1456 CD ARG A 96 -6.696 7.494 11.427 1.00 0.00 C ATOM 1457 NE ARG A 96 -6.850 7.648 12.901 1.00 0.00 N ATOM 1458 CZ ARG A 96 -6.004 8.381 13.571 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -5.956 9.671 13.374 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -5.205 7.825 14.440 1.00 0.00 N ATOM 0 H ARG A 96 -7.335 4.275 9.291 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.958 5.577 9.723 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.093 6.415 8.974 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.380 7.568 9.268 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.686 6.663 11.579 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.437 5.468 11.288 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.697 7.142 11.168 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.843 8.444 10.912 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.616 7.181 13.386 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.581 10.107 12.696 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.294 10.243 13.899 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.242 6.818 14.595 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.543 8.398 14.964 1.00 0.00 H new ATOM 1474 N TYR A 97 -9.212 4.760 6.821 1.00 0.00 N ATOM 1475 CA TYR A 97 -9.553 4.901 5.379 1.00 0.00 C ATOM 1476 C TYR A 97 -11.018 4.536 5.095 1.00 0.00 C ATOM 1477 O TYR A 97 -11.439 4.538 3.954 1.00 0.00 O ATOM 1478 CB TYR A 97 -8.630 3.913 4.677 1.00 0.00 C ATOM 1479 CG TYR A 97 -7.209 4.430 4.673 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -6.530 4.651 5.879 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -6.566 4.671 3.455 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -5.208 5.114 5.862 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -5.244 5.130 3.439 1.00 0.00 C ATOM 1484 CZ TYR A 97 -4.564 5.353 4.642 1.00 0.00 C ATOM 1485 OH TYR A 97 -3.261 5.808 4.623 1.00 0.00 O ATOM 0 H TYR A 97 -8.781 3.872 7.078 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.429 5.930 5.040 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.671 2.947 5.180 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.969 3.754 3.653 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.025 4.465 6.820 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.090 4.503 2.526 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -4.685 5.287 6.791 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.748 5.312 2.497 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.648 5.051 4.732 1.00 0.00 H new ATOM 1495 N SER A 98 -11.785 4.201 6.108 1.00 0.00 N ATOM 1496 CA SER A 98 -13.216 3.815 5.908 1.00 0.00 C ATOM 1497 C SER A 98 -13.294 2.335 5.541 1.00 0.00 C ATOM 1498 O SER A 98 -14.363 1.776 5.416 1.00 0.00 O ATOM 1499 CB SER A 98 -13.765 4.699 4.787 1.00 0.00 C ATOM 1500 OG SER A 98 -13.154 5.981 4.863 1.00 0.00 O ATOM 0 H SER A 98 -11.472 4.179 7.079 1.00 0.00 H new ATOM 0 HA SER A 98 -13.806 3.959 6.813 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.564 4.244 3.817 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.847 4.792 4.878 1.00 0.00 H new ATOM 0 HG SER A 98 -12.471 6.060 4.164 1.00 0.00 H new ATOM 1506 N ASN A 99 -12.157 1.691 5.416 1.00 0.00 N ATOM 1507 CA ASN A 99 -12.138 0.227 5.114 1.00 0.00 C ATOM 1508 C ASN A 99 -12.620 -0.065 3.687 1.00 0.00 C ATOM 1509 O ASN A 99 -13.030 -1.167 3.378 1.00 0.00 O ATOM 1510 CB ASN A 99 -13.097 -0.382 6.140 1.00 0.00 C ATOM 1511 CG ASN A 99 -12.892 0.275 7.507 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -13.766 0.234 8.349 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -11.771 0.887 7.764 1.00 0.00 N ATOM 0 H ASN A 99 -11.237 2.121 5.511 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.131 -0.186 5.175 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.127 -0.244 5.813 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.927 -1.456 6.215 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.629 1.331 8.671 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -11.036 0.922 7.058 1.00 0.00 H new ATOM 1520 N ILE A 100 -12.588 0.906 2.819 1.00 0.00 N ATOM 1521 CA ILE A 100 -13.065 0.654 1.416 1.00 0.00 C ATOM 1522 C ILE A 100 -11.930 0.644 0.352 1.00 0.00 C ATOM 1523 O ILE A 100 -12.138 0.124 -0.725 1.00 0.00 O ATOM 1524 CB ILE A 100 -14.113 1.751 1.110 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -13.458 3.006 0.487 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -14.863 2.135 2.395 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -12.949 3.956 1.576 1.00 0.00 C ATOM 0 H ILE A 100 -12.259 1.853 3.008 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.491 -0.348 1.356 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.818 1.345 0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -12.630 2.707 -0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -14.181 3.523 -0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -15.598 2.908 2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -15.370 1.257 2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -14.154 2.513 3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.493 4.830 1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.783 4.271 2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -12.208 3.443 2.189 1.00 0.00 H new ATOM 1539 N PRO A 101 -10.777 1.217 0.646 1.00 0.00 N ATOM 1540 CA PRO A 101 -9.672 1.236 -0.360 1.00 0.00 C ATOM 1541 C PRO A 101 -8.919 -0.099 -0.455 1.00 0.00 C ATOM 1542 O PRO A 101 -7.708 -0.107 -0.561 1.00 0.00 O ATOM 1543 CB PRO A 101 -8.720 2.290 0.177 1.00 0.00 C ATOM 1544 CG PRO A 101 -8.973 2.358 1.644 1.00 0.00 C ATOM 1545 CD PRO A 101 -10.385 1.890 1.890 1.00 0.00 C ATOM 0 HA PRO A 101 -10.063 1.430 -1.359 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.684 2.022 -0.029 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.899 3.256 -0.296 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.263 1.731 2.184 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.839 3.377 2.008 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.434 1.210 2.740 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.046 2.727 2.113 1.00 0.00 H new ATOM 1553 N LEU A 102 -9.580 -1.223 -0.430 1.00 0.00 N ATOM 1554 CA LEU A 102 -8.802 -2.495 -0.533 1.00 0.00 C ATOM 1555 C LEU A 102 -9.537 -3.563 -1.349 1.00 0.00 C ATOM 1556 O LEU A 102 -10.738 -3.522 -1.522 1.00 0.00 O ATOM 1557 CB LEU A 102 -8.557 -2.970 0.911 1.00 0.00 C ATOM 1558 CG LEU A 102 -9.835 -2.900 1.766 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -10.138 -1.449 2.137 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -11.024 -3.494 1.006 1.00 0.00 C ATOM 0 H LEU A 102 -10.592 -1.320 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.864 -2.323 -1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.186 -3.995 0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.781 -2.356 1.368 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.673 -3.480 2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.044 -1.410 2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.304 -1.037 2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.282 -0.864 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.918 -3.436 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.184 -2.933 0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.817 -4.537 0.765 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.801 -4.522 -1.853 1.00 0.00 N ATOM 1573 CA LEU A 103 -9.416 -5.622 -2.665 1.00 0.00 C ATOM 1574 C LEU A 103 -8.316 -6.550 -3.208 1.00 0.00 C ATOM 1575 O LEU A 103 -7.470 -6.994 -2.467 1.00 0.00 O ATOM 1576 CB LEU A 103 -10.193 -4.948 -3.804 1.00 0.00 C ATOM 1577 CG LEU A 103 -9.274 -4.045 -4.630 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -9.897 -3.825 -6.008 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -9.111 -2.690 -3.945 1.00 0.00 C ATOM 0 H LEU A 103 -7.790 -4.592 -1.736 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.086 -6.239 -2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.637 -5.708 -4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.013 -4.360 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.299 -4.522 -4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.248 -3.182 -6.602 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -10.016 -4.785 -6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -10.872 -3.351 -5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.455 -2.057 -4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.086 -2.212 -3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.676 -2.832 -2.956 1.00 0.00 H new ATOM 1591 N THR A 104 -8.322 -6.871 -4.480 1.00 0.00 N ATOM 1592 CA THR A 104 -7.262 -7.785 -5.013 1.00 0.00 C ATOM 1593 C THR A 104 -6.461 -7.153 -6.158 1.00 0.00 C ATOM 1594 O THR A 104 -5.700 -7.824 -6.828 1.00 0.00 O ATOM 1595 CB THR A 104 -8.004 -9.031 -5.497 1.00 0.00 C ATOM 1596 OG1 THR A 104 -7.132 -9.812 -6.301 1.00 0.00 O ATOM 1597 CG2 THR A 104 -9.223 -8.617 -6.322 1.00 0.00 C ATOM 0 H THR A 104 -9.005 -6.545 -5.164 1.00 0.00 H new ATOM 0 HA THR A 104 -6.528 -8.012 -4.239 1.00 0.00 H new ATOM 0 HB THR A 104 -8.333 -9.615 -4.637 1.00 0.00 H new ATOM 0 HG1 THR A 104 -6.264 -9.363 -6.374 1.00 0.00 H new ATOM 0 HG21 THR A 104 -9.749 -9.508 -6.665 1.00 0.00 H new ATOM 0 HG22 THR A 104 -9.891 -8.015 -5.707 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.898 -8.033 -7.183 1.00 0.00 H new ATOM 1605 N LYS A 105 -6.595 -5.878 -6.377 1.00 0.00 N ATOM 1606 CA LYS A 105 -5.805 -5.214 -7.458 1.00 0.00 C ATOM 1607 C LYS A 105 -6.219 -5.666 -8.863 1.00 0.00 C ATOM 1608 O LYS A 105 -5.371 -5.972 -9.677 1.00 0.00 O ATOM 1609 CB LYS A 105 -4.354 -5.608 -7.192 1.00 0.00 C ATOM 1610 CG LYS A 105 -3.570 -4.369 -6.773 1.00 0.00 C ATOM 1611 CD LYS A 105 -2.481 -4.796 -5.800 1.00 0.00 C ATOM 1612 CE LYS A 105 -1.109 -4.490 -6.401 1.00 0.00 C ATOM 1613 NZ LYS A 105 -1.150 -5.092 -7.762 1.00 0.00 N ATOM 0 H LYS A 105 -7.218 -5.261 -5.855 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.969 -4.137 -7.437 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.307 -6.365 -6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.913 -6.047 -8.087 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.131 -3.885 -7.645 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.233 -3.641 -6.305 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.600 -4.271 -4.852 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -2.567 -5.862 -5.587 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.928 -3.416 -6.448 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -0.308 -4.922 -5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -0.195 -5.403 -8.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -1.793 -5.909 -7.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -1.490 -4.385 -8.444 1.00 0.00 H new ATOM 1627 N PRO A 106 -7.496 -5.642 -9.132 1.00 0.00 N ATOM 1628 CA PRO A 106 -7.970 -5.997 -10.484 1.00 0.00 C ATOM 1629 C PRO A 106 -7.589 -4.847 -11.423 1.00 0.00 C ATOM 1630 O PRO A 106 -7.665 -4.953 -12.630 1.00 0.00 O ATOM 1631 CB PRO A 106 -9.480 -6.131 -10.319 1.00 0.00 C ATOM 1632 CG PRO A 106 -9.813 -5.292 -9.127 1.00 0.00 C ATOM 1633 CD PRO A 106 -8.593 -5.284 -8.235 1.00 0.00 C ATOM 0 HA PRO A 106 -7.545 -6.910 -10.900 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -10.007 -5.782 -11.207 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -9.770 -7.170 -10.164 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.075 -4.278 -9.430 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -10.675 -5.699 -8.598 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -8.436 -4.305 -7.783 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -8.691 -6.000 -7.419 1.00 0.00 H new ATOM 1641 N PHE A 107 -7.147 -3.754 -10.845 1.00 0.00 N ATOM 1642 CA PHE A 107 -6.705 -2.575 -11.638 1.00 0.00 C ATOM 1643 C PHE A 107 -7.848 -1.958 -12.442 1.00 0.00 C ATOM 1644 O PHE A 107 -9.003 -2.089 -12.093 1.00 0.00 O ATOM 1645 CB PHE A 107 -5.585 -3.104 -12.531 1.00 0.00 C ATOM 1646 CG PHE A 107 -4.291 -2.943 -11.781 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -3.775 -1.665 -11.558 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -3.624 -4.066 -11.284 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -2.588 -1.505 -10.839 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -2.434 -3.910 -10.566 1.00 0.00 C ATOM 1651 CZ PHE A 107 -1.915 -2.627 -10.341 1.00 0.00 C ATOM 0 H PHE A 107 -7.075 -3.633 -9.835 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.360 -1.762 -10.999 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -5.756 -4.151 -12.779 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -5.553 -2.554 -13.472 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.294 -0.799 -11.942 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -4.027 -5.053 -11.454 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.190 -0.516 -10.667 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.915 -4.777 -10.185 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.998 -2.505 -9.784 1.00 0.00 H new ATOM 1661 N LEU A 108 -7.520 -1.238 -13.488 1.00 0.00 N ATOM 1662 CA LEU A 108 -8.562 -0.549 -14.302 1.00 0.00 C ATOM 1663 C LEU A 108 -9.655 0.003 -13.383 1.00 0.00 C ATOM 1664 O LEU A 108 -10.786 0.150 -13.792 1.00 0.00 O ATOM 1665 CB LEU A 108 -9.138 -1.568 -15.313 1.00 0.00 C ATOM 1666 CG LEU A 108 -8.911 -3.025 -14.881 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -10.038 -3.465 -13.946 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -8.925 -3.920 -16.124 1.00 0.00 C ATOM 0 H LEU A 108 -6.563 -1.099 -13.813 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.133 0.292 -14.847 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.207 -1.391 -15.432 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -8.678 -1.406 -16.288 1.00 0.00 H new ATOM 0 HG LEU A 108 -7.954 -3.107 -14.366 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.875 -4.499 -13.641 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.050 -2.824 -13.064 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -10.993 -3.386 -14.465 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.765 -4.957 -15.828 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.889 -3.831 -16.626 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.132 -3.610 -16.804 1.00 0.00 H new ATOM 1680 N ASP A 109 -9.285 0.331 -12.150 1.00 0.00 N ATOM 1681 CA ASP A 109 -10.245 0.908 -11.131 1.00 0.00 C ATOM 1682 C ASP A 109 -9.901 0.434 -9.702 1.00 0.00 C ATOM 1683 O ASP A 109 -10.669 0.641 -8.785 1.00 0.00 O ATOM 1684 CB ASP A 109 -11.648 0.406 -11.487 1.00 0.00 C ATOM 1685 CG ASP A 109 -12.370 1.463 -12.326 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -11.747 2.462 -12.647 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -13.532 1.255 -12.635 1.00 0.00 O ATOM 0 H ASP A 109 -8.333 0.219 -11.802 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.182 1.996 -11.152 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.581 -0.530 -12.041 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -12.213 0.199 -10.578 1.00 0.00 H new ATOM 1692 N SER A 110 -8.786 -0.225 -9.498 1.00 0.00 N ATOM 1693 CA SER A 110 -8.460 -0.726 -8.124 1.00 0.00 C ATOM 1694 C SER A 110 -7.618 0.277 -7.313 1.00 0.00 C ATOM 1695 O SER A 110 -8.146 1.178 -6.692 1.00 0.00 O ATOM 1696 CB SER A 110 -7.672 -2.012 -8.360 1.00 0.00 C ATOM 1697 OG SER A 110 -7.236 -2.531 -7.110 1.00 0.00 O ATOM 0 H SER A 110 -8.093 -0.437 -10.216 1.00 0.00 H new ATOM 0 HA SER A 110 -9.367 -0.880 -7.539 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.294 -2.745 -8.874 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.815 -1.814 -9.004 1.00 0.00 H new ATOM 0 HG SER A 110 -6.280 -2.347 -6.995 1.00 0.00 H new ATOM 1703 N GLU A 111 -6.316 0.101 -7.292 1.00 0.00 N ATOM 1704 CA GLU A 111 -5.426 1.010 -6.501 1.00 0.00 C ATOM 1705 C GLU A 111 -5.953 2.443 -6.517 1.00 0.00 C ATOM 1706 O GLU A 111 -6.033 3.096 -5.495 1.00 0.00 O ATOM 1707 CB GLU A 111 -4.068 0.932 -7.198 1.00 0.00 C ATOM 1708 CG GLU A 111 -3.122 0.053 -6.377 1.00 0.00 C ATOM 1709 CD GLU A 111 -2.655 0.824 -5.141 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -3.499 1.187 -4.338 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -1.460 1.037 -5.018 1.00 0.00 O ATOM 0 H GLU A 111 -5.829 -0.641 -7.794 1.00 0.00 H new ATOM 0 HA GLU A 111 -5.373 0.714 -5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.185 0.521 -8.201 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.647 1.931 -7.310 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.629 -0.864 -6.077 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -2.264 -0.240 -6.982 1.00 0.00 H new ATOM 1718 N LEU A 112 -6.306 2.929 -7.669 1.00 0.00 N ATOM 1719 CA LEU A 112 -6.837 4.332 -7.760 1.00 0.00 C ATOM 1720 C LEU A 112 -7.777 4.578 -6.581 1.00 0.00 C ATOM 1721 O LEU A 112 -7.606 5.500 -5.809 1.00 0.00 O ATOM 1722 CB LEU A 112 -7.634 4.448 -9.072 1.00 0.00 C ATOM 1723 CG LEU A 112 -7.152 3.446 -10.121 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -7.886 3.702 -11.437 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -5.642 3.605 -10.338 1.00 0.00 C ATOM 0 H LEU A 112 -6.254 2.425 -8.555 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.025 5.058 -7.739 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.692 4.282 -8.870 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.540 5.460 -9.466 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.359 2.433 -9.775 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.545 2.989 -12.188 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.959 3.583 -11.284 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.678 4.716 -11.778 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.305 2.888 -11.087 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.428 4.617 -10.682 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.118 3.423 -9.399 1.00 0.00 H new ATOM 1737 N GLU A 113 -8.759 3.736 -6.429 1.00 0.00 N ATOM 1738 CA GLU A 113 -9.698 3.890 -5.291 1.00 0.00 C ATOM 1739 C GLU A 113 -8.914 3.873 -4.001 1.00 0.00 C ATOM 1740 O GLU A 113 -9.104 4.700 -3.135 1.00 0.00 O ATOM 1741 CB GLU A 113 -10.614 2.673 -5.366 1.00 0.00 C ATOM 1742 CG GLU A 113 -11.763 2.985 -6.316 1.00 0.00 C ATOM 1743 CD GLU A 113 -13.076 2.465 -5.726 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -13.296 1.267 -5.783 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -13.840 3.276 -5.226 1.00 0.00 O ATOM 0 H GLU A 113 -8.950 2.947 -7.046 1.00 0.00 H new ATOM 0 HA GLU A 113 -10.261 4.822 -5.330 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.059 1.803 -5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.998 2.428 -4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.828 4.060 -6.482 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -11.581 2.523 -7.286 1.00 0.00 H new ATOM 1752 N ALA A 114 -8.029 2.933 -3.870 1.00 0.00 N ATOM 1753 CA ALA A 114 -7.231 2.846 -2.620 1.00 0.00 C ATOM 1754 C ALA A 114 -6.855 4.242 -2.127 1.00 0.00 C ATOM 1755 O ALA A 114 -6.891 4.522 -0.945 1.00 0.00 O ATOM 1756 CB ALA A 114 -5.983 2.043 -2.986 1.00 0.00 C ATOM 0 H ALA A 114 -7.822 2.222 -4.571 1.00 0.00 H new ATOM 0 HA ALA A 114 -7.790 2.371 -1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.346 1.940 -2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.277 1.055 -3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.435 2.561 -3.772 1.00 0.00 H new ATOM 1762 N VAL A 115 -6.515 5.127 -3.018 1.00 0.00 N ATOM 1763 CA VAL A 115 -6.165 6.507 -2.579 1.00 0.00 C ATOM 1764 C VAL A 115 -7.274 7.484 -2.985 1.00 0.00 C ATOM 1765 O VAL A 115 -7.337 8.600 -2.507 1.00 0.00 O ATOM 1766 CB VAL A 115 -4.835 6.842 -3.260 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -3.698 6.151 -2.502 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -4.846 6.351 -4.708 1.00 0.00 C ATOM 0 H VAL A 115 -6.464 4.959 -4.023 1.00 0.00 H new ATOM 0 HA VAL A 115 -6.068 6.583 -1.496 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.690 7.922 -3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.747 6.384 -2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -3.681 6.503 -1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.855 5.072 -2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.895 6.595 -5.182 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.994 5.271 -4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.657 6.837 -5.251 1.00 0.00 H new ATOM 1778 N LEU A 116 -8.148 7.072 -3.868 1.00 0.00 N ATOM 1779 CA LEU A 116 -9.254 7.975 -4.308 1.00 0.00 C ATOM 1780 C LEU A 116 -10.533 7.717 -3.497 1.00 0.00 C ATOM 1781 O LEU A 116 -11.508 8.430 -3.621 1.00 0.00 O ATOM 1782 CB LEU A 116 -9.478 7.641 -5.785 1.00 0.00 C ATOM 1783 CG LEU A 116 -10.172 8.818 -6.471 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -9.186 9.520 -7.407 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -11.366 8.307 -7.280 1.00 0.00 C ATOM 0 H LEU A 116 -8.143 6.149 -4.303 1.00 0.00 H new ATOM 0 HA LEU A 116 -9.001 9.024 -4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.525 7.433 -6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -10.086 6.741 -5.878 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.519 9.523 -5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.682 10.359 -7.895 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.336 9.886 -6.831 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.837 8.816 -8.162 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -11.860 9.147 -7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -11.019 7.601 -8.034 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.070 7.809 -6.614 1.00 0.00 H new ATOM 1797 N VAL A 117 -10.543 6.699 -2.681 1.00 0.00 N ATOM 1798 CA VAL A 117 -11.768 6.394 -1.876 1.00 0.00 C ATOM 1799 C VAL A 117 -11.945 7.409 -0.740 1.00 0.00 C ATOM 1800 O VAL A 117 -13.039 7.633 -0.262 1.00 0.00 O ATOM 1801 CB VAL A 117 -11.514 5.003 -1.292 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -11.382 3.982 -2.420 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -10.234 5.041 -0.458 1.00 0.00 C ATOM 0 H VAL A 117 -9.759 6.064 -2.534 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.671 6.439 -2.484 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.351 4.710 -0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.201 2.994 -1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -12.302 3.964 -3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.548 4.258 -3.065 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -10.044 4.054 -0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -9.396 5.333 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -10.347 5.764 0.350 1.00 0.00 H new ATOM 1813 N GLN A 118 -10.873 7.996 -0.284 1.00 0.00 N ATOM 1814 CA GLN A 118 -10.965 8.962 0.839 1.00 0.00 C ATOM 1815 C GLN A 118 -11.308 10.368 0.326 1.00 0.00 C ATOM 1816 O GLN A 118 -12.115 11.066 0.907 1.00 0.00 O ATOM 1817 CB GLN A 118 -9.570 8.923 1.477 1.00 0.00 C ATOM 1818 CG GLN A 118 -9.567 9.629 2.840 1.00 0.00 C ATOM 1819 CD GLN A 118 -10.797 9.221 3.657 1.00 0.00 C ATOM 1820 OE1 GLN A 118 -10.680 8.510 4.634 1.00 0.00 O ATOM 1821 NE2 GLN A 118 -11.976 9.650 3.304 1.00 0.00 N ATOM 0 H GLN A 118 -9.932 7.845 -0.646 1.00 0.00 H new ATOM 0 HA GLN A 118 -11.752 8.710 1.550 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -9.251 7.888 1.599 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -8.850 9.402 0.814 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -8.659 9.374 3.386 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -9.560 10.710 2.697 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -12.077 10.248 2.483 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -12.798 9.388 3.848 1.00 0.00 H new