USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=20 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 :FLIP amide:sc= -4.38! C(o=-12!,f=-6.9!) USER MOD Set 1.2: A 68 SER OG : rot -57:sc= -2.49! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -116:sc= -0.175 (180deg=-3.17!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -110:sc= -2.14! USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -11.9! C(o=-12!,f=-13!) USER MOD Single : A 38 THR OG1 : rot -97:sc= -5.3! USER MOD Single : A 40 SER OG : rot 180:sc= -0.0468 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0.34) USER MOD Single : A 69 TYR OH : rot -50:sc= -1.52! USER MOD Single : A 79 ASN : amide:sc= -19.7! C(o=-20!,f=-21!) USER MOD Single : A 86 THR OG1 : rot -109:sc= -1.04! USER MOD Single : A 88 TYR OH : rot 179:sc= -1.5! USER MOD Single : A 90 SER OG : rot -61:sc= 1.1 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -147:sc= -1.92! USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 79:sc= 0.868 USER MOD Single : A 99 ASN :FLIP amide:sc= -3.36 F(o=-8.1!,f=-3.4) USER MOD Single : A 104 THR OG1 : rot -53:sc= -1.87! USER MOD Single : A 105 LYS NZ :NH3+ -148:sc= 0.47 (180deg=-1.84!) USER MOD Single : A 110 SER OG : rot 100:sc= -10.7! USER MOD Single : A 118 GLN :FLIP amide:sc= -0.904 F(o=-2.3!,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 132 N LEU A 9 5.053 11.173 4.254 1.00 0.00 N ATOM 133 CA LEU A 9 4.362 11.114 2.932 1.00 0.00 C ATOM 134 C LEU A 9 5.003 10.028 2.062 1.00 0.00 C ATOM 135 O LEU A 9 5.905 10.297 1.292 1.00 0.00 O ATOM 136 CB LEU A 9 4.552 12.493 2.266 1.00 0.00 C ATOM 137 CG LEU A 9 4.768 13.594 3.313 1.00 0.00 C ATOM 138 CD1 LEU A 9 6.265 13.890 3.440 1.00 0.00 C ATOM 139 CD2 LEU A 9 4.040 14.863 2.867 1.00 0.00 C ATOM 0 HA LEU A 9 3.305 10.878 3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.407 12.458 1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.677 12.730 1.661 1.00 0.00 H new ATOM 0 HG LEU A 9 4.378 13.264 4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.419 14.672 4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.790 12.986 3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.653 14.223 2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.191 15.648 3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.436 15.191 1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.974 14.656 2.769 1.00 0.00 H new ATOM 151 N ARG A 10 4.564 8.802 2.176 1.00 0.00 N ATOM 152 CA ARG A 10 5.185 7.726 1.346 1.00 0.00 C ATOM 153 C ARG A 10 4.189 6.604 1.032 1.00 0.00 C ATOM 154 O ARG A 10 3.327 6.277 1.821 1.00 0.00 O ATOM 155 CB ARG A 10 6.329 7.187 2.202 1.00 0.00 C ATOM 156 CG ARG A 10 7.655 7.406 1.474 1.00 0.00 C ATOM 157 CD ARG A 10 7.584 6.777 0.080 1.00 0.00 C ATOM 158 NE ARG A 10 8.829 5.965 -0.039 1.00 0.00 N ATOM 159 CZ ARG A 10 9.988 6.500 0.236 1.00 0.00 C ATOM 160 NH1 ARG A 10 10.126 7.797 0.225 1.00 0.00 N ATOM 161 NH2 ARG A 10 11.007 5.737 0.528 1.00 0.00 N ATOM 0 H ARG A 10 3.814 8.501 2.798 1.00 0.00 H new ATOM 0 HA ARG A 10 5.519 8.112 0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.344 7.692 3.168 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.181 6.125 2.400 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.865 8.472 1.393 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.472 6.962 2.043 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.695 6.155 -0.028 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.535 7.541 -0.696 1.00 0.00 H new ATOM 0 HE ARG A 10 8.775 4.991 -0.336 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.329 8.393 0.002 1.00 0.00 H new ATOM 0 HH12 ARG A 10 11.031 8.215 0.440 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.898 4.723 0.541 1.00 0.00 H new ATOM 0 HH22 ARG A 10 11.912 6.155 0.743 1.00 0.00 H new ATOM 175 N VAL A 11 4.315 5.999 -0.116 1.00 0.00 N ATOM 176 CA VAL A 11 3.392 4.887 -0.478 1.00 0.00 C ATOM 177 C VAL A 11 4.194 3.630 -0.831 1.00 0.00 C ATOM 178 O VAL A 11 4.681 3.480 -1.937 1.00 0.00 O ATOM 179 CB VAL A 11 2.615 5.380 -1.699 1.00 0.00 C ATOM 180 CG1 VAL A 11 1.541 6.372 -1.253 1.00 0.00 C ATOM 181 CG2 VAL A 11 3.573 6.071 -2.670 1.00 0.00 C ATOM 0 H VAL A 11 5.017 6.226 -0.820 1.00 0.00 H new ATOM 0 HA VAL A 11 2.727 4.627 0.345 1.00 0.00 H new ATOM 0 HB VAL A 11 2.144 4.532 -2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.987 6.724 -2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.857 5.881 -0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.013 7.220 -0.756 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.018 6.422 -3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.045 6.919 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.340 5.365 -2.989 1.00 0.00 H new ATOM 191 N LEU A 12 4.340 2.723 0.095 1.00 0.00 N ATOM 192 CA LEU A 12 5.107 1.487 -0.206 1.00 0.00 C ATOM 193 C LEU A 12 4.217 0.494 -0.958 1.00 0.00 C ATOM 194 O LEU A 12 3.263 -0.030 -0.423 1.00 0.00 O ATOM 195 CB LEU A 12 5.517 0.938 1.163 1.00 0.00 C ATOM 196 CG LEU A 12 6.368 1.973 1.923 1.00 0.00 C ATOM 197 CD1 LEU A 12 7.219 2.788 0.944 1.00 0.00 C ATOM 198 CD2 LEU A 12 5.456 2.920 2.705 1.00 0.00 C ATOM 0 H LEU A 12 3.963 2.785 1.041 1.00 0.00 H new ATOM 0 HA LEU A 12 5.975 1.670 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.628 0.691 1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.082 0.015 1.037 1.00 0.00 H new ATOM 0 HG LEU A 12 7.025 1.442 2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.814 3.515 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.881 2.120 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.568 3.310 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.063 3.650 3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.791 3.438 2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.863 2.348 3.418 1.00 0.00 H new ATOM 210 N VAL A 13 4.526 0.227 -2.196 1.00 0.00 N ATOM 211 CA VAL A 13 3.701 -0.736 -2.980 1.00 0.00 C ATOM 212 C VAL A 13 4.622 -1.804 -3.545 1.00 0.00 C ATOM 213 O VAL A 13 5.547 -1.514 -4.271 1.00 0.00 O ATOM 214 CB VAL A 13 3.067 0.096 -4.094 1.00 0.00 C ATOM 215 CG1 VAL A 13 1.966 -0.711 -4.786 1.00 0.00 C ATOM 216 CG2 VAL A 13 2.467 1.369 -3.495 1.00 0.00 C ATOM 0 H VAL A 13 5.314 0.634 -2.700 1.00 0.00 H new ATOM 0 HA VAL A 13 2.935 -1.237 -2.388 1.00 0.00 H new ATOM 0 HB VAL A 13 3.830 0.358 -4.826 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.519 -0.111 -5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.394 -1.618 -5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.200 -0.980 -4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.014 1.965 -4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.707 1.102 -2.761 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.253 1.948 -3.009 1.00 0.00 H new ATOM 226 N VAL A 14 4.430 -3.034 -3.186 1.00 0.00 N ATOM 227 CA VAL A 14 5.377 -4.057 -3.684 1.00 0.00 C ATOM 228 C VAL A 14 4.689 -5.317 -4.229 1.00 0.00 C ATOM 229 O VAL A 14 3.598 -5.696 -3.829 1.00 0.00 O ATOM 230 CB VAL A 14 6.230 -4.383 -2.457 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.637 -3.091 -1.744 1.00 0.00 C ATOM 232 CG2 VAL A 14 5.431 -5.260 -1.494 1.00 0.00 C ATOM 0 H VAL A 14 3.678 -3.371 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 14 5.951 -3.686 -4.533 1.00 0.00 H new ATOM 0 HB VAL A 14 7.125 -4.914 -2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.244 -3.333 -0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.214 -2.466 -2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.743 -2.554 -1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.041 -5.491 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.532 -4.729 -1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.149 -6.186 -1.994 1.00 0.00 H new ATOM 242 N GLU A 15 5.373 -5.962 -5.141 1.00 0.00 N ATOM 243 CA GLU A 15 4.878 -7.222 -5.772 1.00 0.00 C ATOM 244 C GLU A 15 6.060 -7.924 -6.461 1.00 0.00 C ATOM 245 O GLU A 15 7.012 -7.297 -6.857 1.00 0.00 O ATOM 246 CB GLU A 15 3.816 -6.795 -6.797 1.00 0.00 C ATOM 247 CG GLU A 15 4.457 -6.602 -8.179 1.00 0.00 C ATOM 248 CD GLU A 15 3.377 -6.272 -9.204 1.00 0.00 C ATOM 249 OE1 GLU A 15 2.223 -6.246 -8.823 1.00 0.00 O ATOM 250 OE2 GLU A 15 3.723 -6.050 -10.352 1.00 0.00 O ATOM 0 H GLU A 15 6.283 -5.656 -5.484 1.00 0.00 H new ATOM 0 HA GLU A 15 4.451 -7.917 -5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.032 -7.550 -6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.342 -5.867 -6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.193 -5.799 -8.140 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.988 -7.507 -8.474 1.00 0.00 H new ATOM 257 N ASP A 16 6.007 -9.210 -6.601 1.00 0.00 N ATOM 258 CA ASP A 16 7.135 -9.948 -7.253 1.00 0.00 C ATOM 259 C ASP A 16 7.795 -9.161 -8.404 1.00 0.00 C ATOM 260 O ASP A 16 8.922 -8.723 -8.293 1.00 0.00 O ATOM 261 CB ASP A 16 6.515 -11.232 -7.798 1.00 0.00 C ATOM 262 CG ASP A 16 5.096 -10.959 -8.312 1.00 0.00 C ATOM 263 OD1 ASP A 16 4.841 -9.835 -8.713 1.00 0.00 O ATOM 264 OD2 ASP A 16 4.291 -11.875 -8.296 1.00 0.00 O ATOM 0 H ASP A 16 5.230 -9.795 -6.293 1.00 0.00 H new ATOM 0 HA ASP A 16 7.930 -10.124 -6.528 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.132 -11.628 -8.605 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.487 -11.991 -7.016 1.00 0.00 H new ATOM 269 N GLU A 17 7.129 -9.027 -9.523 1.00 0.00 N ATOM 270 CA GLU A 17 7.754 -8.327 -10.692 1.00 0.00 C ATOM 271 C GLU A 17 7.780 -6.805 -10.523 1.00 0.00 C ATOM 272 O GLU A 17 7.295 -6.257 -9.552 1.00 0.00 O ATOM 273 CB GLU A 17 6.881 -8.702 -11.890 1.00 0.00 C ATOM 274 CG GLU A 17 6.532 -10.191 -11.827 1.00 0.00 C ATOM 275 CD GLU A 17 5.069 -10.358 -11.411 1.00 0.00 C ATOM 276 OE1 GLU A 17 4.383 -9.354 -11.310 1.00 0.00 O ATOM 277 OE2 GLU A 17 4.658 -11.487 -11.199 1.00 0.00 O ATOM 0 H GLU A 17 6.181 -9.370 -9.680 1.00 0.00 H new ATOM 0 HA GLU A 17 8.795 -8.629 -10.806 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.969 -8.104 -11.889 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.407 -8.481 -12.819 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.700 -10.656 -12.799 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.183 -10.698 -11.115 1.00 0.00 H new ATOM 284 N SER A 18 8.350 -6.124 -11.486 1.00 0.00 N ATOM 285 CA SER A 18 8.429 -4.638 -11.427 1.00 0.00 C ATOM 286 C SER A 18 7.230 -4.017 -12.145 1.00 0.00 C ATOM 287 O SER A 18 7.081 -2.812 -12.191 1.00 0.00 O ATOM 288 CB SER A 18 9.726 -4.282 -12.151 1.00 0.00 C ATOM 289 OG SER A 18 10.829 -4.540 -11.293 1.00 0.00 O ATOM 0 H SER A 18 8.767 -6.542 -12.318 1.00 0.00 H new ATOM 0 HA SER A 18 8.416 -4.264 -10.403 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.818 -4.867 -13.066 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.716 -3.232 -12.444 1.00 0.00 H new ATOM 0 HG SER A 18 11.663 -4.314 -11.755 1.00 0.00 H new ATOM 295 N MET A 19 6.361 -4.823 -12.692 1.00 0.00 N ATOM 296 CA MET A 19 5.173 -4.252 -13.382 1.00 0.00 C ATOM 297 C MET A 19 4.539 -3.218 -12.458 1.00 0.00 C ATOM 298 O MET A 19 3.890 -2.285 -12.889 1.00 0.00 O ATOM 299 CB MET A 19 4.229 -5.432 -13.612 1.00 0.00 C ATOM 300 CG MET A 19 3.003 -4.959 -14.395 1.00 0.00 C ATOM 301 SD MET A 19 1.807 -4.223 -13.254 1.00 0.00 S ATOM 302 CE MET A 19 0.402 -4.176 -14.394 1.00 0.00 C ATOM 0 H MET A 19 6.422 -5.841 -12.691 1.00 0.00 H new ATOM 0 HA MET A 19 5.414 -3.762 -14.325 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.743 -6.221 -14.162 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.922 -5.857 -12.657 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.299 -4.230 -15.149 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.550 -5.798 -14.923 1.00 0.00 H new ATOM 0 HE1 MET A 19 0.118 -3.140 -14.579 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.681 -4.649 -15.335 1.00 0.00 H new ATOM 0 HE3 MET A 19 -0.441 -4.711 -13.955 1.00 0.00 H new ATOM 312 N ILE A 20 4.751 -3.378 -11.182 1.00 0.00 N ATOM 313 CA ILE A 20 4.199 -2.413 -10.196 1.00 0.00 C ATOM 314 C ILE A 20 5.059 -1.152 -10.192 1.00 0.00 C ATOM 315 O ILE A 20 4.580 -0.057 -9.975 1.00 0.00 O ATOM 316 CB ILE A 20 4.291 -3.133 -8.852 1.00 0.00 C ATOM 317 CG1 ILE A 20 3.881 -2.177 -7.730 1.00 0.00 C ATOM 318 CG2 ILE A 20 5.726 -3.610 -8.608 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.075 -2.941 -6.679 1.00 0.00 C ATOM 0 H ILE A 20 5.289 -4.145 -10.778 1.00 0.00 H new ATOM 0 HA ILE A 20 3.176 -2.110 -10.421 1.00 0.00 H new ATOM 0 HB ILE A 20 3.623 -3.994 -8.866 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.766 -1.734 -7.274 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.287 -1.358 -8.135 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.781 -4.122 -7.647 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.021 -4.296 -9.402 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.398 -2.752 -8.601 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.783 -2.261 -5.879 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.182 -3.363 -7.141 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.685 -3.745 -6.267 1.00 0.00 H new ATOM 331 N ALA A 21 6.328 -1.306 -10.445 1.00 0.00 N ATOM 332 CA ALA A 21 7.234 -0.129 -10.476 1.00 0.00 C ATOM 333 C ALA A 21 6.671 0.921 -11.436 1.00 0.00 C ATOM 334 O ALA A 21 6.250 1.986 -11.030 1.00 0.00 O ATOM 335 CB ALA A 21 8.562 -0.681 -10.989 1.00 0.00 C ATOM 0 H ALA A 21 6.777 -2.202 -10.632 1.00 0.00 H new ATOM 0 HA ALA A 21 7.345 0.353 -9.505 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.294 0.125 -11.044 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.922 -1.453 -10.309 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.419 -1.109 -11.981 1.00 0.00 H new ATOM 341 N MET A 22 6.638 0.621 -12.707 1.00 0.00 N ATOM 342 CA MET A 22 6.075 1.600 -13.685 1.00 0.00 C ATOM 343 C MET A 22 4.678 2.020 -13.226 1.00 0.00 C ATOM 344 O MET A 22 4.268 3.152 -13.395 1.00 0.00 O ATOM 345 CB MET A 22 6.005 0.844 -15.012 1.00 0.00 C ATOM 346 CG MET A 22 5.487 1.780 -16.106 1.00 0.00 C ATOM 347 SD MET A 22 6.261 1.351 -17.684 1.00 0.00 S ATOM 348 CE MET A 22 7.763 2.340 -17.476 1.00 0.00 C ATOM 0 H MET A 22 6.974 -0.254 -13.110 1.00 0.00 H new ATOM 0 HA MET A 22 6.677 2.504 -13.775 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.992 0.465 -15.280 1.00 0.00 H new ATOM 0 HB3 MET A 22 5.347 -0.020 -14.916 1.00 0.00 H new ATOM 0 HG2 MET A 22 4.403 1.698 -16.186 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.710 2.816 -15.849 1.00 0.00 H new ATOM 0 HE1 MET A 22 8.400 2.222 -18.352 1.00 0.00 H new ATOM 0 HE2 MET A 22 7.494 3.390 -17.361 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.300 2.004 -16.589 1.00 0.00 H new ATOM 358 N LEU A 23 3.955 1.114 -12.624 1.00 0.00 N ATOM 359 CA LEU A 23 2.590 1.446 -12.123 1.00 0.00 C ATOM 360 C LEU A 23 2.715 2.344 -10.886 1.00 0.00 C ATOM 361 O LEU A 23 1.739 2.811 -10.336 1.00 0.00 O ATOM 362 CB LEU A 23 1.980 0.081 -11.771 1.00 0.00 C ATOM 363 CG LEU A 23 0.743 0.232 -10.870 1.00 0.00 C ATOM 364 CD1 LEU A 23 1.175 0.504 -9.427 1.00 0.00 C ATOM 365 CD2 LEU A 23 -0.140 1.380 -11.369 1.00 0.00 C ATOM 0 H LEU A 23 4.253 0.153 -12.457 1.00 0.00 H new ATOM 0 HA LEU A 23 1.974 1.986 -12.842 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.703 -0.442 -12.686 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.726 -0.533 -11.267 1.00 0.00 H new ATOM 0 HG LEU A 23 0.172 -0.696 -10.905 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.292 0.609 -8.797 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.781 -0.327 -9.066 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.760 1.423 -9.389 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.012 1.476 -10.722 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.428 2.310 -11.352 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.465 1.172 -12.388 1.00 0.00 H new ATOM 377 N ILE A 24 3.921 2.588 -10.448 1.00 0.00 N ATOM 378 CA ILE A 24 4.129 3.448 -9.252 1.00 0.00 C ATOM 379 C ILE A 24 4.464 4.884 -9.680 1.00 0.00 C ATOM 380 O ILE A 24 3.868 5.837 -9.219 1.00 0.00 O ATOM 381 CB ILE A 24 5.302 2.778 -8.513 1.00 0.00 C ATOM 382 CG1 ILE A 24 4.900 2.523 -7.065 1.00 0.00 C ATOM 383 CG2 ILE A 24 6.566 3.652 -8.538 1.00 0.00 C ATOM 384 CD1 ILE A 24 5.812 1.451 -6.479 1.00 0.00 C ATOM 0 H ILE A 24 4.775 2.225 -10.872 1.00 0.00 H new ATOM 0 HA ILE A 24 3.246 3.530 -8.618 1.00 0.00 H new ATOM 0 HB ILE A 24 5.530 1.841 -9.021 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.978 3.442 -6.485 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.860 2.202 -7.014 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.370 3.144 -8.006 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.867 3.826 -9.571 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.358 4.607 -8.055 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.532 1.262 -5.443 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.711 0.532 -7.056 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.847 1.792 -6.519 1.00 0.00 H new ATOM 396 N GLU A 25 5.424 5.038 -10.549 1.00 0.00 N ATOM 397 CA GLU A 25 5.814 6.402 -11.001 1.00 0.00 C ATOM 398 C GLU A 25 4.591 7.154 -11.524 1.00 0.00 C ATOM 399 O GLU A 25 4.516 8.364 -11.449 1.00 0.00 O ATOM 400 CB GLU A 25 6.834 6.168 -12.112 1.00 0.00 C ATOM 401 CG GLU A 25 8.021 5.387 -11.544 1.00 0.00 C ATOM 402 CD GLU A 25 9.324 6.084 -11.935 1.00 0.00 C ATOM 403 OE1 GLU A 25 9.522 6.307 -13.117 1.00 0.00 O ATOM 404 OE2 GLU A 25 10.102 6.384 -11.044 1.00 0.00 O ATOM 0 H GLU A 25 5.957 4.275 -10.967 1.00 0.00 H new ATOM 0 HA GLU A 25 6.228 7.009 -10.196 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.377 5.614 -12.932 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.171 7.121 -12.520 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.942 5.323 -10.459 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.014 4.366 -11.925 1.00 0.00 H new ATOM 411 N ASP A 26 3.627 6.446 -12.039 1.00 0.00 N ATOM 412 CA ASP A 26 2.404 7.124 -12.548 1.00 0.00 C ATOM 413 C ASP A 26 1.498 7.468 -11.362 1.00 0.00 C ATOM 414 O ASP A 26 0.949 8.548 -11.276 1.00 0.00 O ATOM 415 CB ASP A 26 1.749 6.109 -13.497 1.00 0.00 C ATOM 416 CG ASP A 26 0.791 5.194 -12.727 1.00 0.00 C ATOM 417 OD1 ASP A 26 1.267 4.425 -11.912 1.00 0.00 O ATOM 418 OD2 ASP A 26 -0.402 5.282 -12.967 1.00 0.00 O ATOM 0 H ASP A 26 3.632 5.430 -12.130 1.00 0.00 H new ATOM 0 HA ASP A 26 2.609 8.058 -13.070 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.206 6.635 -14.283 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.518 5.511 -13.986 1.00 0.00 H new ATOM 423 N THR A 27 1.361 6.559 -10.432 1.00 0.00 N ATOM 424 CA THR A 27 0.521 6.841 -9.240 1.00 0.00 C ATOM 425 C THR A 27 1.178 7.960 -8.434 1.00 0.00 C ATOM 426 O THR A 27 0.560 8.955 -8.113 1.00 0.00 O ATOM 427 CB THR A 27 0.503 5.536 -8.443 1.00 0.00 C ATOM 428 OG1 THR A 27 1.660 4.778 -8.759 1.00 0.00 O ATOM 429 CG2 THR A 27 -0.749 4.736 -8.804 1.00 0.00 C ATOM 0 H THR A 27 1.795 5.636 -10.450 1.00 0.00 H new ATOM 0 HA THR A 27 -0.490 7.160 -9.493 1.00 0.00 H new ATOM 0 HB THR A 27 0.494 5.758 -7.376 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.402 3.987 -9.277 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.763 3.806 -8.236 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.637 5.321 -8.563 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.742 4.510 -9.870 1.00 0.00 H new ATOM 437 N LEU A 28 2.442 7.813 -8.132 1.00 0.00 N ATOM 438 CA LEU A 28 3.153 8.880 -7.379 1.00 0.00 C ATOM 439 C LEU A 28 3.032 10.186 -8.170 1.00 0.00 C ATOM 440 O LEU A 28 2.808 11.239 -7.616 1.00 0.00 O ATOM 441 CB LEU A 28 4.606 8.380 -7.273 1.00 0.00 C ATOM 442 CG LEU A 28 5.610 9.427 -7.777 1.00 0.00 C ATOM 443 CD1 LEU A 28 5.783 10.519 -6.720 1.00 0.00 C ATOM 444 CD2 LEU A 28 6.960 8.751 -8.035 1.00 0.00 C ATOM 0 H LEU A 28 3.009 7.001 -8.375 1.00 0.00 H new ATOM 0 HA LEU A 28 2.751 9.077 -6.385 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.830 8.132 -6.235 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.717 7.463 -7.851 1.00 0.00 H new ATOM 0 HG LEU A 28 5.240 9.871 -8.701 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.496 11.262 -7.078 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.822 10.999 -6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.154 10.076 -5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.675 9.492 -8.393 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.328 8.309 -7.109 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.839 7.971 -8.787 1.00 0.00 H new ATOM 456 N CYS A 29 3.154 10.121 -9.471 1.00 0.00 N ATOM 457 CA CYS A 29 3.016 11.363 -10.278 1.00 0.00 C ATOM 458 C CYS A 29 1.784 12.126 -9.792 1.00 0.00 C ATOM 459 O CYS A 29 1.758 13.341 -9.758 1.00 0.00 O ATOM 460 CB CYS A 29 2.829 10.896 -11.722 1.00 0.00 C ATOM 461 SG CYS A 29 2.745 12.338 -12.811 1.00 0.00 S ATOM 0 H CYS A 29 3.341 9.270 -10.002 1.00 0.00 H new ATOM 0 HA CYS A 29 3.878 12.024 -10.191 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.656 10.251 -12.018 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.917 10.306 -11.810 1.00 0.00 H new ATOM 0 HG CYS A 29 2.588 11.945 -14.040 1.00 0.00 H new ATOM 467 N GLU A 30 0.768 11.408 -9.396 1.00 0.00 N ATOM 468 CA GLU A 30 -0.465 12.060 -8.890 1.00 0.00 C ATOM 469 C GLU A 30 -0.327 12.329 -7.390 1.00 0.00 C ATOM 470 O GLU A 30 -0.674 13.387 -6.903 1.00 0.00 O ATOM 471 CB GLU A 30 -1.583 11.050 -9.158 1.00 0.00 C ATOM 472 CG GLU A 30 -2.867 11.505 -8.460 1.00 0.00 C ATOM 473 CD GLU A 30 -3.859 12.022 -9.503 1.00 0.00 C ATOM 474 OE1 GLU A 30 -4.578 11.210 -10.062 1.00 0.00 O ATOM 475 OE2 GLU A 30 -3.884 13.222 -9.725 1.00 0.00 O ATOM 0 H GLU A 30 0.743 10.388 -9.403 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.663 13.018 -9.371 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.754 10.958 -10.231 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.290 10.064 -8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.306 10.675 -7.905 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.642 12.289 -7.737 1.00 0.00 H new ATOM 482 N LEU A 31 0.188 11.380 -6.655 1.00 0.00 N ATOM 483 CA LEU A 31 0.357 11.586 -5.188 1.00 0.00 C ATOM 484 C LEU A 31 1.440 12.631 -4.929 1.00 0.00 C ATOM 485 O LEU A 31 1.336 13.442 -4.030 1.00 0.00 O ATOM 486 CB LEU A 31 0.819 10.237 -4.638 1.00 0.00 C ATOM 487 CG LEU A 31 -0.262 9.179 -4.844 1.00 0.00 C ATOM 488 CD1 LEU A 31 0.402 7.828 -5.125 1.00 0.00 C ATOM 489 CD2 LEU A 31 -1.110 9.068 -3.576 1.00 0.00 C ATOM 0 H LEU A 31 0.498 10.474 -7.006 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.565 11.932 -4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.738 9.929 -5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.049 10.329 -3.576 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.895 9.461 -5.685 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.366 7.069 -5.273 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.015 7.904 -6.023 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.030 7.548 -4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.883 8.313 -3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.475 8.782 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.577 10.030 -3.365 1.00 0.00 H new ATOM 501 N GLY A 32 2.495 12.602 -5.697 1.00 0.00 N ATOM 502 CA GLY A 32 3.599 13.574 -5.480 1.00 0.00 C ATOM 503 C GLY A 32 4.429 13.104 -4.287 1.00 0.00 C ATOM 504 O GLY A 32 5.366 13.755 -3.869 1.00 0.00 O ATOM 0 H GLY A 32 2.638 11.946 -6.465 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.223 13.645 -6.371 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.196 14.569 -5.293 1.00 0.00 H new ATOM 508 N HIS A 33 4.084 11.970 -3.735 1.00 0.00 N ATOM 509 CA HIS A 33 4.836 11.436 -2.569 1.00 0.00 C ATOM 510 C HIS A 33 6.341 11.531 -2.824 1.00 0.00 C ATOM 511 O HIS A 33 6.778 11.852 -3.912 1.00 0.00 O ATOM 512 CB HIS A 33 4.391 9.976 -2.463 1.00 0.00 C ATOM 513 CG HIS A 33 3.096 9.906 -1.699 1.00 0.00 C ATOM 514 ND1 HIS A 33 2.033 9.116 -2.112 1.00 0.00 N ATOM 515 CD2 HIS A 33 2.673 10.533 -0.554 1.00 0.00 C ATOM 516 CE1 HIS A 33 1.031 9.292 -1.229 1.00 0.00 C ATOM 517 NE2 HIS A 33 1.369 10.146 -0.260 1.00 0.00 N ATOM 0 H HIS A 33 3.306 11.389 -4.047 1.00 0.00 H new ATOM 0 HA HIS A 33 4.641 11.991 -1.651 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.263 9.549 -3.458 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.156 9.386 -1.959 1.00 0.00 H new ATOM 0 HD2 HIS A 33 3.263 11.223 0.031 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.071 8.802 -1.297 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.795 10.450 0.527 1.00 0.00 H new ATOM 525 N GLU A 34 7.137 11.253 -1.831 1.00 0.00 N ATOM 526 CA GLU A 34 8.613 11.329 -2.020 1.00 0.00 C ATOM 527 C GLU A 34 9.062 10.304 -3.067 1.00 0.00 C ATOM 528 O GLU A 34 9.311 10.636 -4.209 1.00 0.00 O ATOM 529 CB GLU A 34 9.204 10.995 -0.649 1.00 0.00 C ATOM 530 CG GLU A 34 10.065 12.163 -0.164 1.00 0.00 C ATOM 531 CD GLU A 34 11.356 11.623 0.453 1.00 0.00 C ATOM 532 OE1 GLU A 34 11.263 10.777 1.327 1.00 0.00 O ATOM 533 OE2 GLU A 34 12.417 12.065 0.043 1.00 0.00 O ATOM 0 H GLU A 34 6.831 10.977 -0.898 1.00 0.00 H new ATOM 0 HA GLU A 34 8.938 12.307 -2.374 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.404 10.798 0.065 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.805 10.088 -0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.297 12.828 -0.996 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.517 12.752 0.571 1.00 0.00 H new ATOM 540 N VAL A 35 9.162 9.061 -2.685 1.00 0.00 N ATOM 541 CA VAL A 35 9.591 8.008 -3.652 1.00 0.00 C ATOM 542 C VAL A 35 8.957 6.668 -3.261 1.00 0.00 C ATOM 543 O VAL A 35 9.431 5.985 -2.377 1.00 0.00 O ATOM 544 CB VAL A 35 11.118 7.940 -3.524 1.00 0.00 C ATOM 545 CG1 VAL A 35 11.709 7.321 -4.792 1.00 0.00 C ATOM 546 CG2 VAL A 35 11.691 9.351 -3.340 1.00 0.00 C ATOM 0 H VAL A 35 8.965 8.727 -1.742 1.00 0.00 H new ATOM 0 HA VAL A 35 9.286 8.229 -4.675 1.00 0.00 H new ATOM 0 HB VAL A 35 11.375 7.329 -2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.794 7.272 -4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.311 6.315 -4.926 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.444 7.934 -5.654 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.776 9.294 -3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.430 9.965 -4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.275 9.798 -2.437 1.00 0.00 H new ATOM 556 N ALA A 36 7.883 6.291 -3.904 1.00 0.00 N ATOM 557 CA ALA A 36 7.214 5.003 -3.551 1.00 0.00 C ATOM 558 C ALA A 36 8.198 3.832 -3.646 1.00 0.00 C ATOM 559 O ALA A 36 9.350 3.999 -3.994 1.00 0.00 O ATOM 560 CB ALA A 36 6.095 4.849 -4.582 1.00 0.00 C ATOM 0 H ALA A 36 7.441 6.818 -4.657 1.00 0.00 H new ATOM 0 HA ALA A 36 6.837 5.006 -2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.551 3.923 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.411 5.694 -4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.524 4.820 -5.583 1.00 0.00 H new ATOM 566 N ALA A 37 7.744 2.643 -3.348 1.00 0.00 N ATOM 567 CA ALA A 37 8.643 1.451 -3.431 1.00 0.00 C ATOM 568 C ALA A 37 8.050 0.451 -4.415 1.00 0.00 C ATOM 569 O ALA A 37 6.855 0.303 -4.496 1.00 0.00 O ATOM 570 CB ALA A 37 8.674 0.855 -2.024 1.00 0.00 C ATOM 0 H ALA A 37 6.789 2.444 -3.050 1.00 0.00 H new ATOM 0 HA ALA A 37 9.646 1.709 -3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.317 -0.025 -2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.062 1.595 -1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.665 0.569 -1.728 1.00 0.00 H new ATOM 576 N THR A 38 8.868 -0.214 -5.181 1.00 0.00 N ATOM 577 CA THR A 38 8.327 -1.178 -6.185 1.00 0.00 C ATOM 578 C THR A 38 8.793 -2.616 -5.931 1.00 0.00 C ATOM 579 O THR A 38 9.615 -2.887 -5.079 1.00 0.00 O ATOM 580 CB THR A 38 8.849 -0.684 -7.535 1.00 0.00 C ATOM 581 OG1 THR A 38 8.683 -1.708 -8.508 1.00 0.00 O ATOM 582 CG2 THR A 38 10.332 -0.327 -7.412 1.00 0.00 C ATOM 0 H THR A 38 9.885 -0.134 -5.158 1.00 0.00 H new ATOM 0 HA THR A 38 7.239 -1.211 -6.137 1.00 0.00 H new ATOM 0 HB THR A 38 8.290 0.201 -7.840 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.523 -2.202 -8.609 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.703 0.025 -8.375 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.457 0.458 -6.666 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.895 -1.209 -7.107 1.00 0.00 H new ATOM 590 N ALA A 39 8.234 -3.527 -6.686 1.00 0.00 N ATOM 591 CA ALA A 39 8.555 -4.981 -6.556 1.00 0.00 C ATOM 592 C ALA A 39 8.416 -5.432 -5.108 1.00 0.00 C ATOM 593 O ALA A 39 8.460 -4.642 -4.200 1.00 0.00 O ATOM 594 CB ALA A 39 9.986 -5.170 -7.033 1.00 0.00 C ATOM 0 H ALA A 39 7.547 -3.316 -7.410 1.00 0.00 H new ATOM 0 HA ALA A 39 7.866 -5.580 -7.152 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.260 -6.222 -6.954 1.00 0.00 H new ATOM 0 HB2 ALA A 39 10.068 -4.851 -8.072 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.657 -4.573 -6.416 1.00 0.00 H new ATOM 600 N SER A 40 8.223 -6.701 -4.890 1.00 0.00 N ATOM 601 CA SER A 40 8.064 -7.198 -3.496 1.00 0.00 C ATOM 602 C SER A 40 9.423 -7.282 -2.807 1.00 0.00 C ATOM 603 O SER A 40 10.427 -7.581 -3.423 1.00 0.00 O ATOM 604 CB SER A 40 7.434 -8.579 -3.623 1.00 0.00 C ATOM 605 OG SER A 40 8.387 -9.490 -4.156 1.00 0.00 O ATOM 0 H SER A 40 8.168 -7.416 -5.616 1.00 0.00 H new ATOM 0 HA SER A 40 7.445 -6.533 -2.894 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.091 -8.925 -2.648 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.558 -8.532 -4.271 1.00 0.00 H new ATOM 0 HG SER A 40 7.981 -10.378 -4.236 1.00 0.00 H new ATOM 611 N ARG A 41 9.462 -7.017 -1.532 1.00 0.00 N ATOM 612 CA ARG A 41 10.751 -7.076 -0.800 1.00 0.00 C ATOM 613 C ARG A 41 10.492 -7.230 0.700 1.00 0.00 C ATOM 614 O ARG A 41 9.700 -6.515 1.279 1.00 0.00 O ATOM 615 CB ARG A 41 11.432 -5.739 -1.090 1.00 0.00 C ATOM 616 CG ARG A 41 12.950 -5.934 -1.091 1.00 0.00 C ATOM 617 CD ARG A 41 13.448 -6.045 -2.534 1.00 0.00 C ATOM 618 NE ARG A 41 14.485 -7.114 -2.505 1.00 0.00 N ATOM 619 CZ ARG A 41 14.821 -7.727 -3.607 1.00 0.00 C ATOM 620 NH1 ARG A 41 14.522 -7.202 -4.763 1.00 0.00 N ATOM 621 NH2 ARG A 41 15.456 -8.866 -3.553 1.00 0.00 N ATOM 0 H ARG A 41 8.653 -6.762 -0.966 1.00 0.00 H new ATOM 0 HA ARG A 41 11.366 -7.921 -1.109 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.103 -5.352 -2.054 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.149 -5.003 -0.338 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.436 -5.096 -0.591 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.212 -6.833 -0.534 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.635 -6.303 -3.213 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.866 -5.100 -2.881 1.00 0.00 H new ATOM 0 HE ARG A 41 14.932 -7.367 -1.624 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.025 -6.312 -4.806 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.785 -7.681 -5.624 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.690 -9.277 -2.649 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.718 -9.345 -4.414 1.00 0.00 H new ATOM 635 N MET A 42 11.147 -8.163 1.331 1.00 0.00 N ATOM 636 CA MET A 42 10.933 -8.365 2.790 1.00 0.00 C ATOM 637 C MET A 42 11.493 -7.182 3.586 1.00 0.00 C ATOM 638 O MET A 42 10.947 -6.791 4.598 1.00 0.00 O ATOM 639 CB MET A 42 11.696 -9.644 3.126 1.00 0.00 C ATOM 640 CG MET A 42 11.057 -10.825 2.393 1.00 0.00 C ATOM 641 SD MET A 42 11.616 -12.372 3.148 1.00 0.00 S ATOM 642 CE MET A 42 12.683 -12.915 1.793 1.00 0.00 C ATOM 0 H MET A 42 11.822 -8.795 0.899 1.00 0.00 H new ATOM 0 HA MET A 42 9.875 -8.439 3.042 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.742 -9.544 2.835 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.680 -9.818 4.202 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.970 -10.754 2.444 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.329 -10.803 1.338 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.140 -13.870 2.050 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.089 -13.030 0.886 1.00 0.00 H new ATOM 0 HE3 MET A 42 13.463 -12.173 1.625 1.00 0.00 H new ATOM 652 N GLN A 43 12.578 -6.613 3.139 1.00 0.00 N ATOM 653 CA GLN A 43 13.173 -5.458 3.872 1.00 0.00 C ATOM 654 C GLN A 43 12.324 -4.206 3.658 1.00 0.00 C ATOM 655 O GLN A 43 11.792 -3.641 4.592 1.00 0.00 O ATOM 656 CB GLN A 43 14.563 -5.276 3.266 1.00 0.00 C ATOM 657 CG GLN A 43 15.565 -4.973 4.380 1.00 0.00 C ATOM 658 CD GLN A 43 16.858 -5.751 4.130 1.00 0.00 C ATOM 659 OE1 GLN A 43 17.653 -5.376 3.292 1.00 0.00 O ATOM 660 NE2 GLN A 43 17.101 -6.829 4.826 1.00 0.00 N ATOM 0 H GLN A 43 13.079 -6.897 2.297 1.00 0.00 H new ATOM 0 HA GLN A 43 13.219 -5.630 4.947 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.859 -6.178 2.730 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.552 -4.463 2.540 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.773 -3.904 4.415 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.144 -5.248 5.347 1.00 0.00 H new ATOM 0 HE21 GLN A 43 16.433 -7.143 5.530 1.00 0.00 H new ATOM 0 HE22 GLN A 43 17.959 -7.357 4.666 1.00 0.00 H new ATOM 669 N GLU A 44 12.177 -3.770 2.438 1.00 0.00 N ATOM 670 CA GLU A 44 11.342 -2.564 2.193 1.00 0.00 C ATOM 671 C GLU A 44 10.012 -2.750 2.905 1.00 0.00 C ATOM 672 O GLU A 44 9.568 -1.905 3.657 1.00 0.00 O ATOM 673 CB GLU A 44 11.139 -2.514 0.685 1.00 0.00 C ATOM 674 CG GLU A 44 11.673 -1.187 0.142 1.00 0.00 C ATOM 675 CD GLU A 44 13.201 -1.228 0.095 1.00 0.00 C ATOM 676 OE1 GLU A 44 13.732 -1.645 -0.921 1.00 0.00 O ATOM 677 OE2 GLU A 44 13.816 -0.839 1.075 1.00 0.00 O ATOM 0 H GLU A 44 12.595 -4.192 1.609 1.00 0.00 H new ATOM 0 HA GLU A 44 11.799 -1.644 2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.656 -3.348 0.210 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.081 -2.617 0.446 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.273 -1.004 -0.855 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.341 -0.364 0.775 1.00 0.00 H new ATOM 684 N ALA A 45 9.387 -3.873 2.686 1.00 0.00 N ATOM 685 CA ALA A 45 8.093 -4.141 3.371 1.00 0.00 C ATOM 686 C ALA A 45 8.247 -3.761 4.842 1.00 0.00 C ATOM 687 O ALA A 45 7.475 -3.003 5.390 1.00 0.00 O ATOM 688 CB ALA A 45 7.856 -5.645 3.215 1.00 0.00 C ATOM 0 H ALA A 45 9.715 -4.613 2.065 1.00 0.00 H new ATOM 0 HA ALA A 45 7.258 -3.574 2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.917 -5.917 3.697 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.807 -5.898 2.156 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.675 -6.193 3.681 1.00 0.00 H new ATOM 694 N LEU A 46 9.269 -4.261 5.478 1.00 0.00 N ATOM 695 CA LEU A 46 9.504 -3.905 6.902 1.00 0.00 C ATOM 696 C LEU A 46 9.518 -2.382 7.032 1.00 0.00 C ATOM 697 O LEU A 46 9.048 -1.821 8.001 1.00 0.00 O ATOM 698 CB LEU A 46 10.882 -4.487 7.225 1.00 0.00 C ATOM 699 CG LEU A 46 11.180 -4.316 8.714 1.00 0.00 C ATOM 700 CD1 LEU A 46 9.977 -4.785 9.533 1.00 0.00 C ATOM 701 CD2 LEU A 46 12.405 -5.154 9.085 1.00 0.00 C ATOM 0 H LEU A 46 9.951 -4.901 5.072 1.00 0.00 H new ATOM 0 HA LEU A 46 8.738 -4.289 7.576 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.913 -5.543 6.958 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.647 -3.986 6.632 1.00 0.00 H new ATOM 0 HG LEU A 46 11.377 -3.265 8.927 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.190 -4.663 10.595 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.102 -4.191 9.268 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.780 -5.836 9.321 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.620 -5.034 10.147 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.206 -6.204 8.872 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.263 -4.822 8.501 1.00 0.00 H new ATOM 713 N ASP A 47 10.054 -1.718 6.043 1.00 0.00 N ATOM 714 CA ASP A 47 10.116 -0.234 6.063 1.00 0.00 C ATOM 715 C ASP A 47 8.710 0.364 5.945 1.00 0.00 C ATOM 716 O ASP A 47 8.503 1.526 6.205 1.00 0.00 O ATOM 717 CB ASP A 47 10.958 0.129 4.837 1.00 0.00 C ATOM 718 CG ASP A 47 11.557 1.525 5.016 1.00 0.00 C ATOM 719 OD1 ASP A 47 10.801 2.481 4.975 1.00 0.00 O ATOM 720 OD2 ASP A 47 12.761 1.614 5.190 1.00 0.00 O ATOM 0 H ASP A 47 10.456 -2.151 5.212 1.00 0.00 H new ATOM 0 HA ASP A 47 10.541 0.152 6.989 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.754 -0.604 4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.341 0.100 3.939 1.00 0.00 H new ATOM 725 N ILE A 48 7.748 -0.419 5.539 1.00 0.00 N ATOM 726 CA ILE A 48 6.363 0.097 5.398 1.00 0.00 C ATOM 727 C ILE A 48 5.552 -0.231 6.669 1.00 0.00 C ATOM 728 O ILE A 48 4.523 0.350 6.936 1.00 0.00 O ATOM 729 CB ILE A 48 5.786 -0.590 4.131 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.946 -1.822 4.497 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.924 -1.028 3.202 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.630 -2.619 3.222 1.00 0.00 C ATOM 0 H ILE A 48 7.867 -1.403 5.298 1.00 0.00 H new ATOM 0 HA ILE A 48 6.325 1.181 5.287 1.00 0.00 H new ATOM 0 HB ILE A 48 5.148 0.136 3.627 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.488 -2.448 5.206 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.022 -1.514 4.985 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.507 -1.508 2.317 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.505 -0.156 2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.571 -1.732 3.726 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.034 -3.495 3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.072 -1.990 2.529 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.560 -2.939 2.753 1.00 0.00 H new ATOM 744 N ALA A 49 6.003 -1.172 7.453 1.00 0.00 N ATOM 745 CA ALA A 49 5.245 -1.535 8.684 1.00 0.00 C ATOM 746 C ALA A 49 5.744 -0.765 9.918 1.00 0.00 C ATOM 747 O ALA A 49 5.041 0.057 10.471 1.00 0.00 O ATOM 748 CB ALA A 49 5.474 -3.036 8.862 1.00 0.00 C ATOM 0 H ALA A 49 6.860 -1.703 7.296 1.00 0.00 H new ATOM 0 HA ALA A 49 4.190 -1.280 8.584 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.946 -3.382 9.751 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.099 -3.568 7.987 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.541 -3.230 8.975 1.00 0.00 H new ATOM 754 N ARG A 50 6.939 -1.042 10.369 1.00 0.00 N ATOM 755 CA ARG A 50 7.464 -0.343 11.584 1.00 0.00 C ATOM 756 C ARG A 50 7.203 1.167 11.517 1.00 0.00 C ATOM 757 O ARG A 50 7.214 1.847 12.524 1.00 0.00 O ATOM 758 CB ARG A 50 8.966 -0.624 11.591 1.00 0.00 C ATOM 759 CG ARG A 50 9.563 -0.232 10.241 1.00 0.00 C ATOM 760 CD ARG A 50 10.679 -1.210 9.876 1.00 0.00 C ATOM 761 NE ARG A 50 11.811 -0.856 10.773 1.00 0.00 N ATOM 762 CZ ARG A 50 12.997 -0.665 10.270 1.00 0.00 C ATOM 763 NH1 ARG A 50 13.160 0.203 9.310 1.00 0.00 N ATOM 764 NH2 ARG A 50 14.017 -1.342 10.721 1.00 0.00 N ATOM 0 H ARG A 50 7.575 -1.721 9.951 1.00 0.00 H new ATOM 0 HA ARG A 50 6.972 -0.698 12.490 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.448 -0.062 12.391 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.148 -1.680 11.789 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.790 -0.242 9.473 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.955 0.784 10.286 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.364 -2.242 10.027 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.961 -1.113 8.828 1.00 0.00 H new ATOM 0 HE ARG A 50 11.659 -0.763 11.777 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.361 0.729 8.957 1.00 0.00 H new ATOM 0 HH12 ARG A 50 14.087 0.356 8.913 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.887 -2.023 11.469 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.945 -1.191 10.325 1.00 0.00 H new ATOM 778 N LYS A 51 6.979 1.704 10.351 1.00 0.00 N ATOM 779 CA LYS A 51 6.732 3.173 10.251 1.00 0.00 C ATOM 780 C LYS A 51 5.587 3.599 11.163 1.00 0.00 C ATOM 781 O LYS A 51 5.687 4.563 11.895 1.00 0.00 O ATOM 782 CB LYS A 51 6.301 3.404 8.810 1.00 0.00 C ATOM 783 CG LYS A 51 7.440 3.065 7.865 1.00 0.00 C ATOM 784 CD LYS A 51 8.508 4.158 7.947 1.00 0.00 C ATOM 785 CE LYS A 51 9.896 3.540 7.763 1.00 0.00 C ATOM 786 NZ LYS A 51 10.827 4.703 7.708 1.00 0.00 N ATOM 0 H LYS A 51 6.956 1.195 9.467 1.00 0.00 H new ATOM 0 HA LYS A 51 7.619 3.737 10.539 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.431 2.789 8.579 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.002 4.443 8.674 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.871 2.099 8.128 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.068 2.980 6.844 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.330 4.911 7.179 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.450 4.665 8.910 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.145 2.873 8.589 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.948 2.949 6.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.801 4.362 7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.569 5.316 6.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.760 5.243 8.594 1.00 0.00 H new ATOM 800 N GLY A 52 4.486 2.904 11.102 1.00 0.00 N ATOM 801 CA GLY A 52 3.321 3.287 11.943 1.00 0.00 C ATOM 802 C GLY A 52 2.500 4.356 11.208 1.00 0.00 C ATOM 803 O GLY A 52 1.302 4.457 11.381 1.00 0.00 O ATOM 0 H GLY A 52 4.344 2.088 10.506 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.702 2.413 12.149 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.662 3.670 12.905 1.00 0.00 H new ATOM 807 N GLN A 53 3.135 5.155 10.384 1.00 0.00 N ATOM 808 CA GLN A 53 2.388 6.210 9.642 1.00 0.00 C ATOM 809 C GLN A 53 2.991 6.416 8.245 1.00 0.00 C ATOM 810 O GLN A 53 2.988 7.507 7.710 1.00 0.00 O ATOM 811 CB GLN A 53 2.530 7.474 10.489 1.00 0.00 C ATOM 812 CG GLN A 53 4.003 7.881 10.563 1.00 0.00 C ATOM 813 CD GLN A 53 4.376 8.167 12.018 1.00 0.00 C ATOM 814 OE1 GLN A 53 5.144 7.438 12.615 1.00 0.00 O ATOM 815 NE2 GLN A 53 3.860 9.204 12.620 1.00 0.00 N ATOM 0 H GLN A 53 4.137 5.119 10.196 1.00 0.00 H new ATOM 0 HA GLN A 53 1.342 5.941 9.491 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.941 8.282 10.056 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.140 7.297 11.492 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.632 7.086 10.164 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.179 8.765 9.950 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.216 9.816 12.119 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.101 9.402 13.591 1.00 0.00 H new ATOM 824 N PHE A 54 3.490 5.365 7.646 1.00 0.00 N ATOM 825 CA PHE A 54 4.080 5.468 6.269 1.00 0.00 C ATOM 826 C PHE A 54 3.021 5.780 5.197 1.00 0.00 C ATOM 827 O PHE A 54 3.318 5.738 4.025 1.00 0.00 O ATOM 828 CB PHE A 54 4.684 4.097 5.982 1.00 0.00 C ATOM 829 CG PHE A 54 3.592 3.056 5.844 1.00 0.00 C ATOM 830 CD1 PHE A 54 2.330 3.245 6.435 1.00 0.00 C ATOM 831 CD2 PHE A 54 3.847 1.887 5.128 1.00 0.00 C ATOM 832 CE1 PHE A 54 1.344 2.274 6.313 1.00 0.00 C ATOM 833 CE2 PHE A 54 2.857 0.916 5.007 1.00 0.00 C ATOM 834 CZ PHE A 54 1.603 1.109 5.601 1.00 0.00 C ATOM 0 H PHE A 54 3.516 4.430 8.053 1.00 0.00 H new ATOM 0 HA PHE A 54 4.807 6.279 6.235 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.274 4.137 5.067 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.363 3.816 6.787 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.126 4.151 6.987 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.812 1.735 4.668 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.377 2.424 6.771 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.056 0.011 4.453 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.838 0.353 5.506 1.00 0.00 H new ATOM 844 N ASP A 55 1.804 6.083 5.583 1.00 0.00 N ATOM 845 CA ASP A 55 0.722 6.409 4.594 1.00 0.00 C ATOM 846 C ASP A 55 0.053 5.150 4.025 1.00 0.00 C ATOM 847 O ASP A 55 -1.095 4.894 4.309 1.00 0.00 O ATOM 848 CB ASP A 55 1.374 7.221 3.472 1.00 0.00 C ATOM 849 CG ASP A 55 0.514 8.445 3.158 1.00 0.00 C ATOM 850 OD1 ASP A 55 0.119 9.124 4.092 1.00 0.00 O ATOM 851 OD2 ASP A 55 0.266 8.683 1.988 1.00 0.00 O ATOM 0 H ASP A 55 1.508 6.119 6.559 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.069 6.973 5.089 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.375 7.534 3.770 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.485 6.604 2.580 1.00 0.00 H new ATOM 856 N ILE A 56 0.726 4.381 3.199 1.00 0.00 N ATOM 857 CA ILE A 56 0.041 3.171 2.611 1.00 0.00 C ATOM 858 C ILE A 56 1.012 2.007 2.338 1.00 0.00 C ATOM 859 O ILE A 56 2.216 2.177 2.334 1.00 0.00 O ATOM 860 CB ILE A 56 -0.555 3.671 1.293 1.00 0.00 C ATOM 861 CG1 ILE A 56 -1.203 5.042 1.503 1.00 0.00 C ATOM 862 CG2 ILE A 56 -1.616 2.688 0.806 1.00 0.00 C ATOM 863 CD1 ILE A 56 -1.968 5.441 0.241 1.00 0.00 C ATOM 0 H ILE A 56 1.693 4.528 2.910 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.701 2.773 3.304 1.00 0.00 H new ATOM 0 HB ILE A 56 0.240 3.753 0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.880 5.010 2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.440 5.786 1.729 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.040 3.045 -0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.161 1.710 0.650 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.406 2.606 1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.430 6.417 0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.279 5.490 -0.602 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.741 4.701 0.035 1.00 0.00 H new ATOM 875 N ALA A 57 0.485 0.816 2.096 1.00 0.00 N ATOM 876 CA ALA A 57 1.374 -0.365 1.807 1.00 0.00 C ATOM 877 C ALA A 57 0.689 -1.341 0.853 1.00 0.00 C ATOM 878 O ALA A 57 -0.437 -1.729 1.074 1.00 0.00 O ATOM 879 CB ALA A 57 1.574 -1.067 3.142 1.00 0.00 C ATOM 0 H ALA A 57 -0.515 0.616 2.087 1.00 0.00 H new ATOM 0 HA ALA A 57 2.308 -0.039 1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.214 -1.938 3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.044 -0.381 3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.608 -1.385 3.534 1.00 0.00 H new ATOM 885 N ILE A 58 1.341 -1.771 -0.193 1.00 0.00 N ATOM 886 CA ILE A 58 0.658 -2.737 -1.097 1.00 0.00 C ATOM 887 C ILE A 58 1.545 -3.939 -1.432 1.00 0.00 C ATOM 888 O ILE A 58 2.286 -3.933 -2.393 1.00 0.00 O ATOM 889 CB ILE A 58 0.334 -1.954 -2.365 1.00 0.00 C ATOM 890 CG1 ILE A 58 -0.709 -0.883 -2.052 1.00 0.00 C ATOM 891 CG2 ILE A 58 -0.217 -2.911 -3.424 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.032 0.273 -1.317 1.00 0.00 C ATOM 0 H ILE A 58 2.290 -1.504 -0.455 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.233 -3.144 -0.619 1.00 0.00 H new ATOM 0 HB ILE A 58 1.239 -1.477 -2.740 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.169 -0.525 -2.973 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.507 -1.303 -1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.450 -2.354 -4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.528 -3.674 -3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.123 -3.387 -3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.770 1.042 -1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.407 -0.093 -0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.751 0.696 -1.947 1.00 0.00 H new ATOM 904 N ILE A 59 1.409 -4.997 -0.684 1.00 0.00 N ATOM 905 CA ILE A 59 2.169 -6.244 -0.981 1.00 0.00 C ATOM 906 C ILE A 59 1.175 -7.176 -1.667 1.00 0.00 C ATOM 907 O ILE A 59 0.775 -8.196 -1.141 1.00 0.00 O ATOM 908 CB ILE A 59 2.609 -6.784 0.379 1.00 0.00 C ATOM 909 CG1 ILE A 59 3.862 -6.035 0.842 1.00 0.00 C ATOM 910 CG2 ILE A 59 2.927 -8.270 0.257 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.845 -5.891 2.365 1.00 0.00 C ATOM 0 H ILE A 59 0.797 -5.052 0.130 1.00 0.00 H new ATOM 0 HA ILE A 59 3.042 -6.116 -1.621 1.00 0.00 H new ATOM 0 HB ILE A 59 1.807 -6.641 1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.756 -6.574 0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.902 -5.051 0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.241 -8.656 1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.038 -8.806 -0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.729 -8.412 -0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.738 -5.358 2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.959 -5.333 2.668 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.826 -6.880 2.824 1.00 0.00 H new ATOM 923 N ASP A 60 0.724 -6.768 -2.819 1.00 0.00 N ATOM 924 CA ASP A 60 -0.314 -7.543 -3.555 1.00 0.00 C ATOM 925 C ASP A 60 0.158 -8.936 -3.954 1.00 0.00 C ATOM 926 O ASP A 60 1.027 -9.522 -3.340 1.00 0.00 O ATOM 927 CB ASP A 60 -0.632 -6.682 -4.790 1.00 0.00 C ATOM 928 CG ASP A 60 0.241 -7.092 -5.981 1.00 0.00 C ATOM 929 OD1 ASP A 60 1.359 -6.612 -6.068 1.00 0.00 O ATOM 930 OD2 ASP A 60 -0.230 -7.879 -6.785 1.00 0.00 O ATOM 0 H ASP A 60 1.035 -5.918 -3.289 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.189 -7.724 -2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.685 -6.789 -5.052 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.466 -5.630 -4.557 1.00 0.00 H new ATOM 935 N VAL A 61 -0.444 -9.456 -4.985 1.00 0.00 N ATOM 936 CA VAL A 61 -0.095 -10.805 -5.486 1.00 0.00 C ATOM 937 C VAL A 61 0.101 -11.786 -4.327 1.00 0.00 C ATOM 938 O VAL A 61 1.201 -12.165 -3.979 1.00 0.00 O ATOM 939 CB VAL A 61 1.176 -10.584 -6.307 1.00 0.00 C ATOM 940 CG1 VAL A 61 2.322 -10.067 -5.430 1.00 0.00 C ATOM 941 CG2 VAL A 61 1.589 -11.896 -6.975 1.00 0.00 C ATOM 0 H VAL A 61 -1.181 -8.987 -5.512 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.881 -11.255 -6.092 1.00 0.00 H new ATOM 0 HB VAL A 61 0.965 -9.832 -7.067 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.211 -9.920 -6.043 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.033 -9.119 -4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.537 -10.794 -4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.495 -11.737 -7.560 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.778 -12.650 -6.211 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.789 -12.238 -7.631 1.00 0.00 H new ATOM 951 N ASN A 62 -0.982 -12.215 -3.739 1.00 0.00 N ATOM 952 CA ASN A 62 -0.897 -13.180 -2.610 1.00 0.00 C ATOM 953 C ASN A 62 -1.458 -14.532 -3.056 1.00 0.00 C ATOM 954 O ASN A 62 -2.453 -15.002 -2.544 1.00 0.00 O ATOM 955 CB ASN A 62 -1.767 -12.574 -1.509 1.00 0.00 C ATOM 956 CG ASN A 62 -0.967 -11.526 -0.728 1.00 0.00 C ATOM 957 OD1 ASN A 62 0.161 -11.076 -1.211 1.00 0.00 O flip ATOM 958 ND2 ASN A 62 -1.377 -11.109 0.337 1.00 0.00 N flip ATOM 0 H ASN A 62 -1.929 -11.935 -3.996 1.00 0.00 H new ATOM 0 HA ASN A 62 0.125 -13.346 -2.270 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.654 -12.115 -1.946 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.112 -13.357 -0.834 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.257 -11.458 0.717 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.841 -10.410 0.851 1.00 0.00 H new ATOM 965 N LEU A 63 -0.833 -15.153 -4.017 1.00 0.00 N ATOM 966 CA LEU A 63 -1.340 -16.464 -4.507 1.00 0.00 C ATOM 967 C LEU A 63 -0.180 -17.442 -4.689 1.00 0.00 C ATOM 968 O LEU A 63 0.964 -17.117 -4.444 1.00 0.00 O ATOM 969 CB LEU A 63 -1.991 -16.155 -5.855 1.00 0.00 C ATOM 970 CG LEU A 63 -3.491 -16.444 -5.779 1.00 0.00 C ATOM 971 CD1 LEU A 63 -4.178 -15.366 -4.938 1.00 0.00 C ATOM 972 CD2 LEU A 63 -4.081 -16.440 -7.192 1.00 0.00 C ATOM 0 H LEU A 63 0.006 -14.809 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.040 -16.924 -3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.825 -15.111 -6.120 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.533 -16.759 -6.638 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.650 -17.419 -5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.247 -15.573 -4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.757 -15.366 -3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.020 -14.390 -5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.150 -16.646 -7.140 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.921 -15.464 -7.650 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.592 -17.207 -7.792 1.00 0.00 H new ATOM 984 N ASP A 64 -0.468 -18.638 -5.118 1.00 0.00 N ATOM 985 CA ASP A 64 0.619 -19.636 -5.315 1.00 0.00 C ATOM 986 C ASP A 64 1.591 -19.592 -4.134 1.00 0.00 C ATOM 987 O ASP A 64 2.747 -19.945 -4.257 1.00 0.00 O ATOM 988 CB ASP A 64 1.322 -19.208 -6.604 1.00 0.00 C ATOM 989 CG ASP A 64 1.504 -20.423 -7.515 1.00 0.00 C ATOM 990 OD1 ASP A 64 0.503 -20.953 -7.969 1.00 0.00 O ATOM 991 OD2 ASP A 64 2.640 -20.803 -7.742 1.00 0.00 O ATOM 0 H ASP A 64 -1.407 -18.968 -5.340 1.00 0.00 H new ATOM 0 HA ASP A 64 0.239 -20.656 -5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.736 -18.443 -7.113 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.291 -18.766 -6.372 1.00 0.00 H new ATOM 996 N GLY A 65 1.135 -19.162 -2.989 1.00 0.00 N ATOM 997 CA GLY A 65 2.041 -19.100 -1.810 1.00 0.00 C ATOM 998 C GLY A 65 1.767 -17.830 -1.009 1.00 0.00 C ATOM 999 O GLY A 65 2.184 -17.697 0.125 1.00 0.00 O ATOM 0 H GLY A 65 0.178 -18.852 -2.821 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.892 -19.977 -1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.080 -19.116 -2.138 1.00 0.00 H new ATOM 1003 N GLU A 66 1.076 -16.894 -1.586 1.00 0.00 N ATOM 1004 CA GLU A 66 0.783 -15.633 -0.852 1.00 0.00 C ATOM 1005 C GLU A 66 2.084 -15.015 -0.331 1.00 0.00 C ATOM 1006 O GLU A 66 2.334 -15.006 0.858 1.00 0.00 O ATOM 1007 CB GLU A 66 -0.117 -16.049 0.312 1.00 0.00 C ATOM 1008 CG GLU A 66 -1.205 -16.995 -0.197 1.00 0.00 C ATOM 1009 CD GLU A 66 -2.429 -16.906 0.717 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -2.307 -17.271 1.875 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -3.468 -16.476 0.243 1.00 0.00 O ATOM 0 H GLU A 66 0.701 -16.945 -2.533 1.00 0.00 H new ATOM 0 HA GLU A 66 0.306 -14.886 -1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.474 -16.540 1.085 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.570 -15.169 0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.481 -16.733 -1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.830 -18.018 -0.221 1.00 0.00 H new ATOM 1018 N PRO A 67 2.873 -14.523 -1.247 1.00 0.00 N ATOM 1019 CA PRO A 67 4.171 -13.900 -0.883 1.00 0.00 C ATOM 1020 C PRO A 67 3.964 -12.538 -0.211 1.00 0.00 C ATOM 1021 O PRO A 67 4.387 -11.518 -0.717 1.00 0.00 O ATOM 1022 CB PRO A 67 4.880 -13.741 -2.224 1.00 0.00 C ATOM 1023 CG PRO A 67 3.786 -13.696 -3.243 1.00 0.00 C ATOM 1024 CD PRO A 67 2.634 -14.499 -2.694 1.00 0.00 C ATOM 0 HA PRO A 67 4.738 -14.497 -0.169 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.478 -12.830 -2.248 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.559 -14.573 -2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.481 -12.667 -3.435 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.126 -14.110 -4.192 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.676 -14.037 -2.932 1.00 0.00 H new ATOM 0 HD3 PRO A 67 2.615 -15.506 -3.112 1.00 0.00 H new ATOM 1032 N SER A 68 3.326 -12.511 0.928 1.00 0.00 N ATOM 1033 CA SER A 68 3.108 -11.210 1.627 1.00 0.00 C ATOM 1034 C SER A 68 3.844 -11.200 2.970 1.00 0.00 C ATOM 1035 O SER A 68 3.723 -10.272 3.749 1.00 0.00 O ATOM 1036 CB SER A 68 1.598 -11.120 1.844 1.00 0.00 C ATOM 1037 OG SER A 68 0.940 -12.005 0.946 1.00 0.00 O ATOM 0 H SER A 68 2.947 -13.330 1.404 1.00 0.00 H new ATOM 0 HA SER A 68 3.487 -10.366 1.050 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.351 -11.379 2.874 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.256 -10.098 1.681 1.00 0.00 H new ATOM 0 HG SER A 68 1.193 -11.785 0.025 1.00 0.00 H new ATOM 1043 N TYR A 69 4.611 -12.228 3.235 1.00 0.00 N ATOM 1044 CA TYR A 69 5.368 -12.324 4.520 1.00 0.00 C ATOM 1045 C TYR A 69 4.438 -12.055 5.699 1.00 0.00 C ATOM 1046 O TYR A 69 3.322 -11.598 5.535 1.00 0.00 O ATOM 1047 CB TYR A 69 6.508 -11.279 4.489 1.00 0.00 C ATOM 1048 CG TYR A 69 6.442 -10.398 3.260 1.00 0.00 C ATOM 1049 CD1 TYR A 69 6.712 -10.934 1.996 1.00 0.00 C ATOM 1050 CD2 TYR A 69 6.109 -9.044 3.390 1.00 0.00 C ATOM 1051 CE1 TYR A 69 6.651 -10.114 0.863 1.00 0.00 C ATOM 1052 CE2 TYR A 69 6.048 -8.225 2.257 1.00 0.00 C ATOM 1053 CZ TYR A 69 6.318 -8.760 0.992 1.00 0.00 C ATOM 1054 OH TYR A 69 6.260 -7.955 -0.126 1.00 0.00 O ATOM 0 H TYR A 69 4.746 -13.018 2.604 1.00 0.00 H new ATOM 0 HA TYR A 69 5.782 -13.325 4.637 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.453 -10.658 5.383 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.470 -11.792 4.515 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.967 -11.979 1.895 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.899 -8.631 4.366 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.861 -10.527 -0.113 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.793 -7.181 2.359 1.00 0.00 H new ATOM 0 HH TYR A 69 7.080 -8.065 -0.652 1.00 0.00 H new ATOM 1064 N PRO A 70 4.936 -12.348 6.862 1.00 0.00 N ATOM 1065 CA PRO A 70 4.149 -12.130 8.088 1.00 0.00 C ATOM 1066 C PRO A 70 4.010 -10.632 8.347 1.00 0.00 C ATOM 1067 O PRO A 70 3.294 -10.215 9.227 1.00 0.00 O ATOM 1068 CB PRO A 70 4.979 -12.808 9.175 1.00 0.00 C ATOM 1069 CG PRO A 70 6.376 -12.811 8.643 1.00 0.00 C ATOM 1070 CD PRO A 70 6.265 -12.901 7.143 1.00 0.00 C ATOM 0 HA PRO A 70 3.136 -12.529 8.037 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.916 -12.264 10.118 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.627 -13.821 9.367 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.905 -11.905 8.939 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.940 -13.654 9.041 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.050 -12.329 6.648 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.353 -13.930 6.795 1.00 0.00 H new ATOM 1078 N VAL A 71 4.678 -9.815 7.575 1.00 0.00 N ATOM 1079 CA VAL A 71 4.560 -8.346 7.787 1.00 0.00 C ATOM 1080 C VAL A 71 3.251 -7.845 7.184 1.00 0.00 C ATOM 1081 O VAL A 71 2.355 -7.430 7.886 1.00 0.00 O ATOM 1082 CB VAL A 71 5.749 -7.721 7.063 1.00 0.00 C ATOM 1083 CG1 VAL A 71 5.854 -6.240 7.436 1.00 0.00 C ATOM 1084 CG2 VAL A 71 7.030 -8.438 7.476 1.00 0.00 C ATOM 0 H VAL A 71 5.294 -10.100 6.814 1.00 0.00 H new ATOM 0 HA VAL A 71 4.559 -8.086 8.846 1.00 0.00 H new ATOM 0 HB VAL A 71 5.608 -7.816 5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.703 -5.794 6.919 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.939 -5.725 7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.994 -6.145 8.513 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.880 -7.992 6.959 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.169 -8.342 8.553 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.958 -9.493 7.212 1.00 0.00 H new ATOM 1094 N ALA A 72 3.128 -7.898 5.889 1.00 0.00 N ATOM 1095 CA ALA A 72 1.869 -7.445 5.251 1.00 0.00 C ATOM 1096 C ALA A 72 0.696 -8.038 6.008 1.00 0.00 C ATOM 1097 O ALA A 72 -0.206 -7.344 6.432 1.00 0.00 O ATOM 1098 CB ALA A 72 1.925 -8.014 3.842 1.00 0.00 C ATOM 0 H ALA A 72 3.845 -8.235 5.247 1.00 0.00 H new ATOM 0 HA ALA A 72 1.755 -6.361 5.248 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.026 -7.725 3.297 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.803 -7.624 3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.986 -9.101 3.891 1.00 0.00 H new ATOM 1104 N ASP A 73 0.714 -9.327 6.194 1.00 0.00 N ATOM 1105 CA ASP A 73 -0.389 -9.971 6.940 1.00 0.00 C ATOM 1106 C ASP A 73 -0.491 -9.339 8.327 1.00 0.00 C ATOM 1107 O ASP A 73 -1.522 -8.826 8.713 1.00 0.00 O ATOM 1108 CB ASP A 73 0.002 -11.436 7.044 1.00 0.00 C ATOM 1109 CG ASP A 73 -0.570 -12.207 5.853 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -1.614 -11.809 5.361 1.00 0.00 O ATOM 1111 OD2 ASP A 73 0.045 -13.181 5.452 1.00 0.00 O ATOM 0 H ASP A 73 1.444 -9.957 5.861 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.356 -9.852 6.452 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.088 -11.532 7.065 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.373 -11.857 7.977 1.00 0.00 H new ATOM 1116 N ILE A 74 0.584 -9.343 9.069 1.00 0.00 N ATOM 1117 CA ILE A 74 0.540 -8.703 10.416 1.00 0.00 C ATOM 1118 C ILE A 74 -0.021 -7.306 10.226 1.00 0.00 C ATOM 1119 O ILE A 74 -0.875 -6.843 10.956 1.00 0.00 O ATOM 1120 CB ILE A 74 1.993 -8.633 10.898 1.00 0.00 C ATOM 1121 CG1 ILE A 74 2.372 -9.954 11.571 1.00 0.00 C ATOM 1122 CG2 ILE A 74 2.155 -7.493 11.909 1.00 0.00 C ATOM 1123 CD1 ILE A 74 3.882 -9.986 11.817 1.00 0.00 C ATOM 0 H ILE A 74 1.479 -9.755 8.806 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.073 -9.245 11.136 1.00 0.00 H new ATOM 0 HB ILE A 74 2.642 -8.453 10.041 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.837 -10.061 12.514 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.077 -10.793 10.941 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.191 -7.450 12.246 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.888 -6.547 11.437 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.502 -7.669 12.764 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.153 -10.927 12.296 1.00 0.00 H new ATOM 0 HD12 ILE A 74 4.407 -9.899 10.866 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.163 -9.155 12.464 1.00 0.00 H new ATOM 1135 N LEU A 75 0.454 -6.650 9.215 1.00 0.00 N ATOM 1136 CA LEU A 75 -0.031 -5.294 8.906 1.00 0.00 C ATOM 1137 C LEU A 75 -1.556 -5.346 8.792 1.00 0.00 C ATOM 1138 O LEU A 75 -2.242 -4.392 9.078 1.00 0.00 O ATOM 1139 CB LEU A 75 0.637 -4.970 7.563 1.00 0.00 C ATOM 1140 CG LEU A 75 0.981 -3.482 7.491 1.00 0.00 C ATOM 1141 CD1 LEU A 75 2.447 -3.275 7.889 1.00 0.00 C ATOM 1142 CD2 LEU A 75 0.769 -2.987 6.060 1.00 0.00 C ATOM 0 H LEU A 75 1.170 -7.005 8.581 1.00 0.00 H new ATOM 0 HA LEU A 75 0.204 -4.540 9.657 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.542 -5.566 7.445 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.030 -5.237 6.743 1.00 0.00 H new ATOM 0 HG LEU A 75 0.339 -2.925 8.173 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.692 -2.214 7.837 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.602 -3.634 8.906 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.091 -3.829 7.206 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.013 -1.926 6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.415 -3.545 5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.272 -3.136 5.774 1.00 0.00 H new ATOM 1154 N ALA A 76 -2.083 -6.475 8.390 1.00 0.00 N ATOM 1155 CA ALA A 76 -3.561 -6.619 8.257 1.00 0.00 C ATOM 1156 C ALA A 76 -4.243 -6.686 9.631 1.00 0.00 C ATOM 1157 O ALA A 76 -4.979 -5.793 10.003 1.00 0.00 O ATOM 1158 CB ALA A 76 -3.755 -7.928 7.491 1.00 0.00 C ATOM 0 H ALA A 76 -1.547 -7.308 8.147 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.007 -5.767 7.744 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.820 -8.112 7.349 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.266 -7.857 6.519 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.318 -8.750 8.058 1.00 0.00 H new ATOM 1164 N GLU A 77 -4.014 -7.731 10.387 1.00 0.00 N ATOM 1165 CA GLU A 77 -4.667 -7.833 11.729 1.00 0.00 C ATOM 1166 C GLU A 77 -4.617 -6.478 12.441 1.00 0.00 C ATOM 1167 O GLU A 77 -5.455 -6.163 13.263 1.00 0.00 O ATOM 1168 CB GLU A 77 -3.853 -8.877 12.496 1.00 0.00 C ATOM 1169 CG GLU A 77 -2.411 -8.394 12.637 1.00 0.00 C ATOM 1170 CD GLU A 77 -1.686 -9.245 13.681 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -2.131 -9.258 14.817 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -0.699 -9.867 13.326 1.00 0.00 O ATOM 0 H GLU A 77 -3.408 -8.512 10.136 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.717 -8.117 11.657 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.290 -9.043 13.481 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.878 -9.832 11.971 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.898 -8.462 11.678 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.395 -7.345 12.933 1.00 0.00 H new ATOM 1179 N ARG A 78 -3.647 -5.672 12.119 1.00 0.00 N ATOM 1180 CA ARG A 78 -3.538 -4.335 12.754 1.00 0.00 C ATOM 1181 C ARG A 78 -3.186 -3.293 11.690 1.00 0.00 C ATOM 1182 O ARG A 78 -2.237 -2.547 11.827 1.00 0.00 O ATOM 1183 CB ARG A 78 -2.406 -4.470 13.771 1.00 0.00 C ATOM 1184 CG ARG A 78 -1.067 -4.573 13.036 1.00 0.00 C ATOM 1185 CD ARG A 78 -0.162 -3.414 13.460 1.00 0.00 C ATOM 1186 NE ARG A 78 1.192 -3.773 12.949 1.00 0.00 N ATOM 1187 CZ ARG A 78 2.236 -3.658 13.725 1.00 0.00 C ATOM 1188 NH1 ARG A 78 2.793 -2.492 13.901 1.00 0.00 N ATOM 1189 NH2 ARG A 78 2.728 -4.712 14.318 1.00 0.00 N ATOM 0 H ARG A 78 -2.919 -5.886 11.437 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.467 -4.016 13.227 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.400 -3.610 14.440 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.562 -5.354 14.389 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.587 -5.525 13.263 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.229 -4.547 11.958 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.506 -2.470 13.037 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.156 -3.294 14.543 1.00 0.00 H new ATOM 0 HE ARG A 78 1.303 -4.109 11.992 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.413 -1.669 13.432 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.608 -2.403 14.507 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.297 -5.625 14.175 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.543 -4.622 14.924 1.00 0.00 H new ATOM 1203 N ASN A 79 -3.931 -3.253 10.619 1.00 0.00 N ATOM 1204 CA ASN A 79 -3.626 -2.282 9.537 1.00 0.00 C ATOM 1205 C ASN A 79 -3.949 -0.846 9.961 1.00 0.00 C ATOM 1206 O ASN A 79 -4.991 -0.551 10.512 1.00 0.00 O ATOM 1207 CB ASN A 79 -4.483 -2.723 8.352 1.00 0.00 C ATOM 1208 CG ASN A 79 -3.567 -3.276 7.255 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -2.401 -2.940 7.196 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -4.047 -4.115 6.378 1.00 0.00 N ATOM 0 H ASN A 79 -4.738 -3.853 10.449 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.565 -2.277 9.288 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.197 -3.484 8.666 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.061 -1.881 7.971 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.443 -4.487 5.645 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.026 -4.398 6.426 1.00 0.00 H new ATOM 1217 N VAL A 80 -3.031 0.037 9.697 1.00 0.00 N ATOM 1218 CA VAL A 80 -3.191 1.477 10.050 1.00 0.00 C ATOM 1219 C VAL A 80 -3.737 2.221 8.811 1.00 0.00 C ATOM 1220 O VAL A 80 -4.150 1.568 7.877 1.00 0.00 O ATOM 1221 CB VAL A 80 -1.745 1.849 10.429 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -1.001 2.548 9.274 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -1.757 2.726 11.682 1.00 0.00 C ATOM 0 H VAL A 80 -2.148 -0.185 9.237 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.890 1.722 10.850 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.201 0.928 10.636 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.014 2.791 9.589 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.964 1.884 8.410 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.526 3.464 9.005 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.734 2.990 11.951 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.326 3.634 11.485 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.219 2.180 12.504 1.00 0.00 H new ATOM 1233 N PRO A 81 -3.715 3.545 8.788 1.00 0.00 N ATOM 1234 CA PRO A 81 -4.208 4.249 7.577 1.00 0.00 C ATOM 1235 C PRO A 81 -3.331 3.828 6.402 1.00 0.00 C ATOM 1236 O PRO A 81 -2.120 3.913 6.453 1.00 0.00 O ATOM 1237 CB PRO A 81 -4.082 5.731 7.931 1.00 0.00 C ATOM 1238 CG PRO A 81 -3.059 5.769 9.014 1.00 0.00 C ATOM 1239 CD PRO A 81 -3.249 4.499 9.804 1.00 0.00 C ATOM 0 HA PRO A 81 -5.235 4.021 7.290 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.770 6.320 7.069 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.034 6.141 8.269 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.053 5.825 8.599 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.192 6.647 9.647 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.320 4.171 10.270 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.979 4.626 10.603 1.00 0.00 H new ATOM 1247 N PHE A 82 -3.934 3.307 5.373 1.00 0.00 N ATOM 1248 CA PHE A 82 -3.145 2.793 4.222 1.00 0.00 C ATOM 1249 C PHE A 82 -4.084 2.228 3.150 1.00 0.00 C ATOM 1250 O PHE A 82 -5.177 2.713 2.929 1.00 0.00 O ATOM 1251 CB PHE A 82 -2.310 1.656 4.840 1.00 0.00 C ATOM 1252 CG PHE A 82 -3.176 0.423 5.010 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -4.461 0.531 5.563 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.704 -0.822 4.590 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -5.264 -0.601 5.698 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.514 -1.954 4.722 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.795 -1.840 5.273 1.00 0.00 C ATOM 0 H PHE A 82 -4.945 3.215 5.279 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.539 3.561 3.742 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.457 1.428 4.200 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.910 1.968 5.805 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.829 1.494 5.885 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.715 -0.910 4.164 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.249 -0.516 6.132 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.150 -2.918 4.398 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.421 -2.715 5.369 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.654 1.179 2.516 1.00 0.00 N ATOM 1268 CA ILE A 83 -4.467 0.504 1.479 1.00 0.00 C ATOM 1269 C ILE A 83 -3.730 -0.772 1.109 1.00 0.00 C ATOM 1270 O ILE A 83 -2.530 -0.873 1.301 1.00 0.00 O ATOM 1271 CB ILE A 83 -4.564 1.482 0.305 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -6.009 1.968 0.175 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -4.146 0.803 -1.010 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -6.083 3.457 0.512 1.00 0.00 C ATOM 0 H ILE A 83 -2.743 0.750 2.681 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.474 0.240 1.801 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.894 2.321 0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.371 1.796 -0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.655 1.401 0.845 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.223 1.518 -1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.116 0.455 -0.928 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.802 -0.045 -1.206 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.113 3.800 0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.739 3.616 1.534 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.450 4.018 -0.176 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.429 -1.744 0.617 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.770 -3.022 0.271 1.00 0.00 C ATOM 1288 C PHE A 84 -4.596 -3.769 -0.777 1.00 0.00 C ATOM 1289 O PHE A 84 -5.774 -3.510 -0.965 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.763 -3.760 1.602 1.00 0.00 C ATOM 1291 CG PHE A 84 -2.631 -4.757 1.666 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -2.840 -6.068 1.227 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -1.385 -4.384 2.196 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -1.807 -7.009 1.309 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -0.352 -5.330 2.280 1.00 0.00 C ATOM 1296 CZ PHE A 84 -0.566 -6.641 1.837 1.00 0.00 C ATOM 0 H PHE A 84 -5.433 -1.709 0.439 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.774 -2.911 -0.158 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.667 -3.044 2.418 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.714 -4.275 1.740 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.800 -6.355 0.824 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.222 -3.372 2.538 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.969 -8.020 0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.608 -5.047 2.686 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.229 -7.369 1.903 1.00 0.00 H new ATOM 1306 N ALA A 85 -4.006 -4.700 -1.462 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.790 -5.441 -2.476 1.00 0.00 C ATOM 1308 C ALA A 85 -4.009 -6.652 -2.993 1.00 0.00 C ATOM 1309 O ALA A 85 -2.882 -6.531 -3.418 1.00 0.00 O ATOM 1310 CB ALA A 85 -5.032 -4.439 -3.605 1.00 0.00 C ATOM 0 H ALA A 85 -3.029 -4.977 -1.366 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.722 -5.827 -2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.609 -4.916 -4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.584 -3.582 -3.219 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.075 -4.103 -4.005 1.00 0.00 H new ATOM 1316 N THR A 86 -4.605 -7.816 -2.966 1.00 0.00 N ATOM 1317 CA THR A 86 -3.902 -9.041 -3.467 1.00 0.00 C ATOM 1318 C THR A 86 -4.924 -9.993 -4.089 1.00 0.00 C ATOM 1319 O THR A 86 -5.962 -9.580 -4.567 1.00 0.00 O ATOM 1320 CB THR A 86 -3.259 -9.714 -2.244 1.00 0.00 C ATOM 1321 OG1 THR A 86 -4.155 -10.672 -1.705 1.00 0.00 O ATOM 1322 CG2 THR A 86 -2.907 -8.683 -1.168 1.00 0.00 C ATOM 0 H THR A 86 -5.551 -7.974 -2.618 1.00 0.00 H new ATOM 0 HA THR A 86 -3.154 -8.788 -4.219 1.00 0.00 H new ATOM 0 HB THR A 86 -2.339 -10.202 -2.566 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.508 -10.346 -0.851 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.454 -9.188 -0.315 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.203 -7.957 -1.576 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.813 -8.169 -0.846 1.00 0.00 H new ATOM 1330 N GLY A 87 -4.644 -11.266 -4.072 1.00 0.00 N ATOM 1331 CA GLY A 87 -5.607 -12.245 -4.645 1.00 0.00 C ATOM 1332 C GLY A 87 -6.671 -12.572 -3.597 1.00 0.00 C ATOM 1333 O GLY A 87 -7.660 -13.219 -3.883 1.00 0.00 O ATOM 0 H GLY A 87 -3.791 -11.670 -3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.074 -11.833 -5.540 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.085 -13.153 -4.947 1.00 0.00 H new ATOM 1337 N TYR A 88 -6.477 -12.131 -2.381 1.00 0.00 N ATOM 1338 CA TYR A 88 -7.480 -12.420 -1.318 1.00 0.00 C ATOM 1339 C TYR A 88 -8.653 -11.444 -1.427 1.00 0.00 C ATOM 1340 O TYR A 88 -9.759 -11.743 -1.022 1.00 0.00 O ATOM 1341 CB TYR A 88 -6.728 -12.270 0.016 1.00 0.00 C ATOM 1342 CG TYR A 88 -6.731 -10.833 0.505 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -6.312 -9.798 -0.337 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -7.133 -10.544 1.817 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -6.294 -8.479 0.126 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -7.110 -9.222 2.281 1.00 0.00 C ATOM 1347 CZ TYR A 88 -6.693 -8.191 1.435 1.00 0.00 C ATOM 1348 OH TYR A 88 -6.667 -6.889 1.892 1.00 0.00 O ATOM 0 H TYR A 88 -5.669 -11.585 -2.081 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.905 -13.420 -1.406 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.189 -12.911 0.767 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -5.700 -12.611 -0.106 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.001 -10.018 -1.348 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.460 -11.340 2.470 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -5.972 -7.682 -0.528 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -7.415 -9.000 3.293 1.00 0.00 H new ATOM 0 HH TYR A 88 -6.991 -6.860 2.816 1.00 0.00 H new ATOM 1358 N GLY A 89 -8.428 -10.283 -1.979 1.00 0.00 N ATOM 1359 CA GLY A 89 -9.544 -9.310 -2.116 1.00 0.00 C ATOM 1360 C GLY A 89 -9.980 -8.851 -0.730 1.00 0.00 C ATOM 1361 O GLY A 89 -11.015 -9.243 -0.227 1.00 0.00 O ATOM 0 H GLY A 89 -7.526 -9.969 -2.338 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.226 -8.455 -2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.382 -9.770 -2.640 1.00 0.00 H new ATOM 1365 N SER A 90 -9.194 -8.021 -0.114 1.00 0.00 N ATOM 1366 CA SER A 90 -9.540 -7.520 1.240 1.00 0.00 C ATOM 1367 C SER A 90 -9.868 -8.684 2.182 1.00 0.00 C ATOM 1368 O SER A 90 -9.991 -9.818 1.768 1.00 0.00 O ATOM 1369 CB SER A 90 -10.768 -6.633 1.031 1.00 0.00 C ATOM 1370 OG SER A 90 -11.938 -7.359 1.383 1.00 0.00 O ATOM 0 H SER A 90 -8.317 -7.664 -0.494 1.00 0.00 H new ATOM 0 HA SER A 90 -8.714 -6.976 1.697 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.688 -5.732 1.640 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.825 -6.311 -0.009 1.00 0.00 H new ATOM 0 HG SER A 90 -12.015 -8.152 0.812 1.00 0.00 H new ATOM 1376 N LYS A 91 -10.014 -8.404 3.447 1.00 0.00 N ATOM 1377 CA LYS A 91 -10.341 -9.478 4.425 1.00 0.00 C ATOM 1378 C LYS A 91 -10.826 -8.850 5.732 1.00 0.00 C ATOM 1379 O LYS A 91 -10.701 -9.422 6.797 1.00 0.00 O ATOM 1380 CB LYS A 91 -9.032 -10.240 4.648 1.00 0.00 C ATOM 1381 CG LYS A 91 -8.080 -9.392 5.499 1.00 0.00 C ATOM 1382 CD LYS A 91 -8.035 -9.939 6.929 1.00 0.00 C ATOM 1383 CE LYS A 91 -6.632 -9.743 7.509 1.00 0.00 C ATOM 1384 NZ LYS A 91 -6.083 -11.120 7.654 1.00 0.00 N ATOM 0 H LYS A 91 -9.920 -7.471 3.848 1.00 0.00 H new ATOM 0 HA LYS A 91 -11.130 -10.139 4.067 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.232 -11.189 5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.568 -10.474 3.690 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.081 -9.404 5.064 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.412 -8.354 5.507 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.771 -9.426 7.549 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.297 -10.997 6.933 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.012 -9.138 6.848 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.670 -9.229 8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.121 -11.071 8.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.691 -11.670 8.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.053 -11.582 6.723 1.00 0.00 H new ATOM 1398 N GLY A 92 -11.369 -7.668 5.657 1.00 0.00 N ATOM 1399 CA GLY A 92 -11.850 -6.989 6.890 1.00 0.00 C ATOM 1400 C GLY A 92 -10.721 -6.122 7.454 1.00 0.00 C ATOM 1401 O GLY A 92 -10.798 -5.629 8.561 1.00 0.00 O ATOM 0 H GLY A 92 -11.501 -7.142 4.793 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.721 -6.374 6.665 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -12.163 -7.727 7.629 1.00 0.00 H new ATOM 1405 N LEU A 93 -9.671 -5.932 6.695 1.00 0.00 N ATOM 1406 CA LEU A 93 -8.534 -5.094 7.178 1.00 0.00 C ATOM 1407 C LEU A 93 -9.055 -3.857 7.921 1.00 0.00 C ATOM 1408 O LEU A 93 -10.138 -3.373 7.659 1.00 0.00 O ATOM 1409 CB LEU A 93 -7.738 -4.711 5.916 1.00 0.00 C ATOM 1410 CG LEU A 93 -8.497 -3.707 5.023 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -9.938 -4.163 4.778 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -8.508 -2.328 5.682 1.00 0.00 C ATOM 0 H LEU A 93 -9.553 -6.322 5.760 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.903 -5.627 7.889 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.781 -4.280 6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.519 -5.611 5.341 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.982 -3.655 4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.447 -3.436 4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.933 -5.134 4.283 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -10.461 -4.245 5.731 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.045 -1.625 5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.003 -2.392 6.651 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.483 -1.982 5.820 1.00 0.00 H new ATOM 1424 N ASP A 94 -8.293 -3.354 8.859 1.00 0.00 N ATOM 1425 CA ASP A 94 -8.741 -2.158 9.640 1.00 0.00 C ATOM 1426 C ASP A 94 -7.911 -0.918 9.289 1.00 0.00 C ATOM 1427 O ASP A 94 -6.767 -1.016 8.892 1.00 0.00 O ATOM 1428 CB ASP A 94 -8.531 -2.542 11.105 1.00 0.00 C ATOM 1429 CG ASP A 94 -7.141 -3.158 11.280 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -6.186 -2.403 11.358 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -7.057 -4.374 11.332 1.00 0.00 O ATOM 0 H ASP A 94 -7.377 -3.720 9.119 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.778 -1.902 9.420 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.632 -1.662 11.740 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.297 -3.252 11.419 1.00 0.00 H new ATOM 1436 N THR A 95 -8.476 0.251 9.446 1.00 0.00 N ATOM 1437 CA THR A 95 -7.711 1.493 9.130 1.00 0.00 C ATOM 1438 C THR A 95 -8.565 2.737 9.363 1.00 0.00 C ATOM 1439 O THR A 95 -9.720 2.656 9.730 1.00 0.00 O ATOM 1440 CB THR A 95 -7.378 1.380 7.650 1.00 0.00 C ATOM 1441 OG1 THR A 95 -6.760 2.580 7.219 1.00 0.00 O ATOM 1442 CG2 THR A 95 -8.663 1.144 6.854 1.00 0.00 C ATOM 0 H THR A 95 -9.429 0.399 9.778 1.00 0.00 H new ATOM 0 HA THR A 95 -6.827 1.588 9.761 1.00 0.00 H new ATOM 0 HB THR A 95 -6.699 0.543 7.488 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.009 2.761 6.289 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.424 1.063 5.794 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.136 0.221 7.191 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.346 1.979 7.009 1.00 0.00 H new ATOM 1450 N ARG A 96 -8.006 3.892 9.125 1.00 0.00 N ATOM 1451 CA ARG A 96 -8.787 5.143 9.303 1.00 0.00 C ATOM 1452 C ARG A 96 -9.669 5.363 8.077 1.00 0.00 C ATOM 1453 O ARG A 96 -10.388 6.338 7.981 1.00 0.00 O ATOM 1454 CB ARG A 96 -7.748 6.258 9.413 1.00 0.00 C ATOM 1455 CG ARG A 96 -6.969 6.106 10.719 1.00 0.00 C ATOM 1456 CD ARG A 96 -7.041 7.414 11.508 1.00 0.00 C ATOM 1457 NE ARG A 96 -6.019 8.298 10.876 1.00 0.00 N ATOM 1458 CZ ARG A 96 -6.218 8.775 9.677 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -7.332 9.395 9.400 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -5.302 8.634 8.755 1.00 0.00 N ATOM 0 H ARG A 96 -7.043 4.021 8.815 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.434 5.110 10.180 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.066 6.218 8.564 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.239 7.231 9.382 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.383 5.289 11.310 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.930 5.852 10.508 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.036 7.856 11.451 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.825 7.251 12.564 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.164 8.530 11.381 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -8.046 9.507 10.120 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.489 9.768 8.464 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.430 8.151 8.972 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.459 9.007 7.819 1.00 0.00 H new ATOM 1474 N TYR A 97 -9.619 4.460 7.137 1.00 0.00 N ATOM 1475 CA TYR A 97 -10.456 4.620 5.920 1.00 0.00 C ATOM 1476 C TYR A 97 -11.871 4.104 6.195 1.00 0.00 C ATOM 1477 O TYR A 97 -12.811 4.870 6.217 1.00 0.00 O ATOM 1478 CB TYR A 97 -9.763 3.772 4.853 1.00 0.00 C ATOM 1479 CG TYR A 97 -8.481 4.446 4.412 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -7.429 4.626 5.320 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -8.342 4.885 3.089 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -6.243 5.244 4.906 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -7.154 5.502 2.676 1.00 0.00 C ATOM 1484 CZ TYR A 97 -6.106 5.681 3.584 1.00 0.00 C ATOM 1485 OH TYR A 97 -4.935 6.290 3.175 1.00 0.00 O ATOM 0 H TYR A 97 -9.037 3.623 7.160 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.552 5.660 5.607 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.545 2.780 5.249 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -10.425 3.635 3.998 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.533 4.288 6.340 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.151 4.748 2.387 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -5.434 5.383 5.607 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -7.048 5.840 1.656 1.00 0.00 H new ATOM 0 HH TYR A 97 -5.005 6.531 2.228 1.00 0.00 H new ATOM 1495 N SER A 98 -11.994 2.808 6.422 1.00 0.00 N ATOM 1496 CA SER A 98 -13.321 2.139 6.724 1.00 0.00 C ATOM 1497 C SER A 98 -13.429 0.806 5.970 1.00 0.00 C ATOM 1498 O SER A 98 -14.501 0.255 5.834 1.00 0.00 O ATOM 1499 CB SER A 98 -14.440 3.067 6.239 1.00 0.00 C ATOM 1500 OG SER A 98 -14.714 4.040 7.239 1.00 0.00 O ATOM 0 H SER A 98 -11.204 2.163 6.410 1.00 0.00 H new ATOM 0 HA SER A 98 -13.400 1.949 7.794 1.00 0.00 H new ATOM 0 HB2 SER A 98 -14.145 3.557 5.311 1.00 0.00 H new ATOM 0 HB3 SER A 98 -15.338 2.489 6.023 1.00 0.00 H new ATOM 0 HG SER A 98 -14.037 4.748 7.201 1.00 0.00 H new ATOM 1506 N ASN A 99 -12.337 0.292 5.463 1.00 0.00 N ATOM 1507 CA ASN A 99 -12.395 -0.993 4.705 1.00 0.00 C ATOM 1508 C ASN A 99 -13.260 -0.802 3.464 1.00 0.00 C ATOM 1509 O ASN A 99 -14.456 -1.012 3.487 1.00 0.00 O ATOM 1510 CB ASN A 99 -13.021 -1.998 5.671 1.00 0.00 C ATOM 1511 CG ASN A 99 -12.322 -1.893 7.028 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -11.186 -1.250 7.124 1.00 0.00 O flip ATOM 1513 ND2 ASN A 99 -12.810 -2.408 8.014 1.00 0.00 N flip ATOM 0 H ASN A 99 -11.409 0.707 5.542 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.417 -1.335 4.365 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.087 -1.799 5.781 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.924 -3.009 5.276 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.695 -2.910 7.942 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -12.335 -2.339 8.914 1.00 0.00 H new ATOM 1520 N ILE A 100 -12.664 -0.376 2.385 1.00 0.00 N ATOM 1521 CA ILE A 100 -13.461 -0.141 1.142 1.00 0.00 C ATOM 1522 C ILE A 100 -12.626 -0.348 -0.139 1.00 0.00 C ATOM 1523 O ILE A 100 -13.033 -1.097 -1.006 1.00 0.00 O ATOM 1524 CB ILE A 100 -13.970 1.317 1.198 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -14.064 1.841 2.644 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -15.365 1.375 0.572 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -12.675 2.219 3.181 1.00 0.00 C ATOM 0 H ILE A 100 -11.666 -0.181 2.307 1.00 0.00 H new ATOM 0 HA ILE A 100 -14.280 -0.859 1.101 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.261 1.941 0.654 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -14.721 2.710 2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -14.510 1.079 3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -15.736 2.399 0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -15.313 1.041 -0.464 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -16.041 0.726 1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.768 2.586 4.203 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.029 1.341 3.168 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -12.242 2.998 2.554 1.00 0.00 H new ATOM 1539 N PRO A 101 -11.513 0.350 -0.260 1.00 0.00 N ATOM 1540 CA PRO A 101 -10.696 0.237 -1.491 1.00 0.00 C ATOM 1541 C PRO A 101 -9.720 -0.942 -1.440 1.00 0.00 C ATOM 1542 O PRO A 101 -8.524 -0.769 -1.577 1.00 0.00 O ATOM 1543 CB PRO A 101 -9.929 1.549 -1.523 1.00 0.00 C ATOM 1544 CG PRO A 101 -9.844 2.006 -0.098 1.00 0.00 C ATOM 1545 CD PRO A 101 -10.911 1.288 0.695 1.00 0.00 C ATOM 0 HA PRO A 101 -11.313 0.060 -2.372 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.935 1.411 -1.949 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -10.441 2.287 -2.141 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.857 1.791 0.312 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.986 3.085 -0.036 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.484 0.764 1.550 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.652 1.986 1.086 1.00 0.00 H new ATOM 1553 N LEU A 102 -10.205 -2.137 -1.272 1.00 0.00 N ATOM 1554 CA LEU A 102 -9.278 -3.303 -1.251 1.00 0.00 C ATOM 1555 C LEU A 102 -9.443 -4.105 -2.541 1.00 0.00 C ATOM 1556 O LEU A 102 -10.540 -4.258 -3.040 1.00 0.00 O ATOM 1557 CB LEU A 102 -9.699 -4.138 -0.037 1.00 0.00 C ATOM 1558 CG LEU A 102 -9.629 -3.300 1.246 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -8.400 -2.387 1.214 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -10.896 -2.450 1.365 1.00 0.00 C ATOM 0 H LEU A 102 -11.193 -2.358 -1.149 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.232 -3.004 -1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.713 -4.511 -0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.050 -5.009 0.055 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.551 -3.967 2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.361 -1.797 2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.498 -2.994 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.465 -1.719 0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.850 -1.853 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -10.973 -1.789 0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.769 -3.102 1.402 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.377 -4.616 -3.107 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.555 -5.385 -4.378 1.00 0.00 C ATOM 1574 C LEU A 103 -7.343 -6.255 -4.720 1.00 0.00 C ATOM 1575 O LEU A 103 -6.535 -6.579 -3.881 1.00 0.00 O ATOM 1576 CB LEU A 103 -8.742 -4.316 -5.443 1.00 0.00 C ATOM 1577 CG LEU A 103 -10.111 -4.492 -6.093 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -10.307 -3.410 -7.145 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -10.182 -5.864 -6.762 1.00 0.00 C ATOM 0 H LEU A 103 -7.421 -4.539 -2.759 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.394 -6.076 -4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.662 -3.324 -4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.956 -4.393 -6.195 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.890 -4.415 -5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -11.284 -3.531 -7.613 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -10.249 -2.429 -6.673 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.528 -3.494 -7.903 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.159 -5.992 -7.227 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -9.405 -5.938 -7.523 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.032 -6.642 -6.013 1.00 0.00 H new ATOM 1591 N THR A 104 -7.238 -6.651 -5.963 1.00 0.00 N ATOM 1592 CA THR A 104 -6.107 -7.511 -6.396 1.00 0.00 C ATOM 1593 C THR A 104 -5.312 -6.836 -7.519 1.00 0.00 C ATOM 1594 O THR A 104 -4.656 -7.492 -8.303 1.00 0.00 O ATOM 1595 CB THR A 104 -6.775 -8.797 -6.897 1.00 0.00 C ATOM 1596 OG1 THR A 104 -5.836 -9.863 -6.874 1.00 0.00 O ATOM 1597 CG2 THR A 104 -7.287 -8.594 -8.327 1.00 0.00 C ATOM 0 H THR A 104 -7.899 -6.409 -6.702 1.00 0.00 H new ATOM 0 HA THR A 104 -5.396 -7.700 -5.591 1.00 0.00 H new ATOM 0 HB THR A 104 -7.615 -9.040 -6.247 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.027 -9.597 -7.359 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.761 -9.511 -8.678 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.014 -7.782 -8.341 1.00 0.00 H new ATOM 0 HG23 THR A 104 -6.451 -8.345 -8.981 1.00 0.00 H new ATOM 1605 N LYS A 105 -5.374 -5.538 -7.610 1.00 0.00 N ATOM 1606 CA LYS A 105 -4.627 -4.832 -8.689 1.00 0.00 C ATOM 1607 C LYS A 105 -5.143 -5.242 -10.070 1.00 0.00 C ATOM 1608 O LYS A 105 -4.376 -5.669 -10.909 1.00 0.00 O ATOM 1609 CB LYS A 105 -3.176 -5.267 -8.521 1.00 0.00 C ATOM 1610 CG LYS A 105 -2.382 -4.126 -7.893 1.00 0.00 C ATOM 1611 CD LYS A 105 -1.246 -4.710 -7.060 1.00 0.00 C ATOM 1612 CE LYS A 105 0.079 -4.496 -7.795 1.00 0.00 C ATOM 1613 NZ LYS A 105 0.001 -5.393 -8.982 1.00 0.00 N ATOM 0 H LYS A 105 -5.909 -4.935 -6.985 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.747 -3.751 -8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.120 -6.155 -7.891 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -2.749 -5.534 -9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.982 -3.474 -8.669 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.032 -3.515 -7.267 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -1.214 -4.232 -6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.413 -5.774 -6.890 1.00 0.00 H new ATOM 0 HE2 LYS A 105 0.203 -3.455 -8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 105 0.929 -4.750 -7.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 0.953 -5.735 -9.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -0.613 -6.204 -8.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -0.392 -4.868 -9.789 1.00 0.00 H new ATOM 1627 N PRO A 106 -6.424 -5.083 -10.269 1.00 0.00 N ATOM 1628 CA PRO A 106 -7.031 -5.414 -11.573 1.00 0.00 C ATOM 1629 C PRO A 106 -6.862 -4.220 -12.523 1.00 0.00 C ATOM 1630 O PRO A 106 -7.155 -4.298 -13.699 1.00 0.00 O ATOM 1631 CB PRO A 106 -8.503 -5.620 -11.239 1.00 0.00 C ATOM 1632 CG PRO A 106 -8.747 -4.808 -10.004 1.00 0.00 C ATOM 1633 CD PRO A 106 -7.419 -4.598 -9.309 1.00 0.00 C ATOM 0 HA PRO A 106 -6.585 -6.283 -12.058 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.142 -5.291 -12.058 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.723 -6.674 -11.067 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -9.197 -3.849 -10.262 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.446 -5.321 -9.343 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.259 -3.547 -9.068 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.369 -5.152 -8.371 1.00 0.00 H new ATOM 1641 N PHE A 107 -6.401 -3.109 -12.001 1.00 0.00 N ATOM 1642 CA PHE A 107 -6.214 -1.885 -12.840 1.00 0.00 C ATOM 1643 C PHE A 107 -7.549 -1.455 -13.443 1.00 0.00 C ATOM 1644 O PHE A 107 -7.757 -1.522 -14.637 1.00 0.00 O ATOM 1645 CB PHE A 107 -5.212 -2.275 -13.926 1.00 0.00 C ATOM 1646 CG PHE A 107 -3.834 -2.319 -13.313 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -3.512 -3.337 -12.415 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -2.889 -1.335 -13.625 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -2.243 -3.382 -11.828 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -1.619 -1.376 -13.036 1.00 0.00 C ATOM 1651 CZ PHE A 107 -1.295 -2.399 -12.137 1.00 0.00 C ATOM 0 H PHE A 107 -6.144 -2.998 -11.020 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.847 -1.039 -12.258 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -5.470 -3.246 -14.348 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -5.240 -1.555 -14.744 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.245 -4.093 -12.172 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.139 -0.546 -14.319 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -1.995 -4.174 -11.137 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -0.889 -0.617 -13.276 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.316 -2.430 -11.683 1.00 0.00 H new ATOM 1661 N LEU A 108 -8.448 -1.012 -12.609 1.00 0.00 N ATOM 1662 CA LEU A 108 -9.786 -0.565 -13.088 1.00 0.00 C ATOM 1663 C LEU A 108 -10.712 -0.367 -11.884 1.00 0.00 C ATOM 1664 O LEU A 108 -11.212 -1.316 -11.315 1.00 0.00 O ATOM 1665 CB LEU A 108 -10.307 -1.689 -13.996 1.00 0.00 C ATOM 1666 CG LEU A 108 -10.064 -3.059 -13.350 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -11.349 -3.544 -12.674 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -9.653 -4.060 -14.432 1.00 0.00 C ATOM 0 H LEU A 108 -8.310 -0.940 -11.601 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.738 0.380 -13.629 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.372 -1.551 -14.180 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.808 -1.643 -14.964 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.273 -2.974 -12.605 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -11.174 -4.517 -12.216 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -11.648 -2.830 -11.907 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.141 -3.630 -13.418 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.479 -5.036 -13.978 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.448 -4.141 -15.173 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.739 -3.717 -14.917 1.00 0.00 H new ATOM 1680 N ASP A 109 -10.931 0.860 -11.487 1.00 0.00 N ATOM 1681 CA ASP A 109 -11.813 1.129 -10.311 1.00 0.00 C ATOM 1682 C ASP A 109 -11.122 0.676 -9.022 1.00 0.00 C ATOM 1683 O ASP A 109 -11.717 0.648 -7.963 1.00 0.00 O ATOM 1684 CB ASP A 109 -13.087 0.316 -10.557 1.00 0.00 C ATOM 1685 CG ASP A 109 -14.216 0.859 -9.678 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -14.345 2.069 -9.595 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -14.928 0.056 -9.098 1.00 0.00 O ATOM 0 H ASP A 109 -10.536 1.690 -11.928 1.00 0.00 H new ATOM 0 HA ASP A 109 -12.034 2.191 -10.200 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -13.370 0.373 -11.608 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -12.910 -0.736 -10.331 1.00 0.00 H new ATOM 1692 N SER A 110 -9.870 0.316 -9.106 1.00 0.00 N ATOM 1693 CA SER A 110 -9.140 -0.141 -7.887 1.00 0.00 C ATOM 1694 C SER A 110 -8.379 1.021 -7.238 1.00 0.00 C ATOM 1695 O SER A 110 -8.887 1.686 -6.357 1.00 0.00 O ATOM 1696 CB SER A 110 -8.170 -1.206 -8.391 1.00 0.00 C ATOM 1697 OG SER A 110 -8.910 -2.271 -8.968 1.00 0.00 O ATOM 0 H SER A 110 -9.321 0.318 -9.965 1.00 0.00 H new ATOM 0 HA SER A 110 -9.817 -0.527 -7.125 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.490 -0.778 -9.128 1.00 0.00 H new ATOM 0 HB3 SER A 110 -7.557 -1.576 -7.569 1.00 0.00 H new ATOM 0 HG SER A 110 -8.911 -2.178 -9.944 1.00 0.00 H new ATOM 1703 N GLU A 111 -7.163 1.265 -7.663 1.00 0.00 N ATOM 1704 CA GLU A 111 -6.363 2.380 -7.069 1.00 0.00 C ATOM 1705 C GLU A 111 -7.261 3.586 -6.804 1.00 0.00 C ATOM 1706 O GLU A 111 -7.329 4.094 -5.701 1.00 0.00 O ATOM 1707 CB GLU A 111 -5.313 2.716 -8.128 1.00 0.00 C ATOM 1708 CG GLU A 111 -3.993 2.029 -7.775 1.00 0.00 C ATOM 1709 CD GLU A 111 -3.396 1.387 -9.029 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -4.110 1.275 -10.012 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -2.235 1.015 -8.984 1.00 0.00 O ATOM 0 H GLU A 111 -6.690 0.738 -8.397 1.00 0.00 H new ATOM 0 HA GLU A 111 -5.910 2.106 -6.117 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -5.654 2.389 -9.110 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -5.170 3.795 -8.184 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.294 2.754 -7.358 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -4.160 1.270 -7.010 1.00 0.00 H new ATOM 1718 N LEU A 112 -7.950 4.042 -7.814 1.00 0.00 N ATOM 1719 CA LEU A 112 -8.861 5.220 -7.628 1.00 0.00 C ATOM 1720 C LEU A 112 -9.578 5.081 -6.284 1.00 0.00 C ATOM 1721 O LEU A 112 -9.623 5.997 -5.488 1.00 0.00 O ATOM 1722 CB LEU A 112 -9.912 5.211 -8.763 1.00 0.00 C ATOM 1723 CG LEU A 112 -9.491 4.335 -9.945 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -10.601 4.340 -10.997 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -8.208 4.892 -10.568 1.00 0.00 C ATOM 0 H LEU A 112 -7.926 3.656 -8.758 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.291 6.149 -7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.863 4.852 -8.370 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.075 6.231 -9.111 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.314 3.318 -9.596 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.305 3.717 -11.841 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -11.519 3.947 -10.560 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.772 5.360 -11.341 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.911 4.266 -11.409 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.385 5.909 -10.917 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.414 4.898 -9.822 1.00 0.00 H new ATOM 1737 N GLU A 113 -10.130 3.924 -6.027 1.00 0.00 N ATOM 1738 CA GLU A 113 -10.835 3.700 -4.735 1.00 0.00 C ATOM 1739 C GLU A 113 -9.889 3.962 -3.573 1.00 0.00 C ATOM 1740 O GLU A 113 -10.286 4.455 -2.543 1.00 0.00 O ATOM 1741 CB GLU A 113 -11.243 2.226 -4.751 1.00 0.00 C ATOM 1742 CG GLU A 113 -12.623 2.089 -4.117 1.00 0.00 C ATOM 1743 CD GLU A 113 -13.577 1.410 -5.102 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -13.659 1.870 -6.229 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -14.210 0.443 -4.712 1.00 0.00 O ATOM 0 H GLU A 113 -10.122 3.124 -6.659 1.00 0.00 H new ATOM 0 HA GLU A 113 -11.692 4.363 -4.617 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.259 1.850 -5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.515 1.627 -4.203 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.556 1.505 -3.199 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -13.007 3.071 -3.842 1.00 0.00 H new ATOM 1752 N ALA A 114 -8.643 3.625 -3.728 1.00 0.00 N ATOM 1753 CA ALA A 114 -7.671 3.847 -2.619 1.00 0.00 C ATOM 1754 C ALA A 114 -7.686 5.314 -2.183 1.00 0.00 C ATOM 1755 O ALA A 114 -7.548 5.629 -1.017 1.00 0.00 O ATOM 1756 CB ALA A 114 -6.309 3.475 -3.208 1.00 0.00 C ATOM 0 H ALA A 114 -8.253 3.206 -4.572 1.00 0.00 H new ATOM 0 HA ALA A 114 -7.910 3.254 -1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.536 3.612 -2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.323 2.433 -3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.096 4.115 -4.064 1.00 0.00 H new ATOM 1762 N VAL A 115 -7.839 6.215 -3.114 1.00 0.00 N ATOM 1763 CA VAL A 115 -7.848 7.670 -2.758 1.00 0.00 C ATOM 1764 C VAL A 115 -9.266 8.254 -2.868 1.00 0.00 C ATOM 1765 O VAL A 115 -9.531 9.348 -2.412 1.00 0.00 O ATOM 1766 CB VAL A 115 -6.908 8.347 -3.769 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -6.307 9.611 -3.148 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -5.769 7.394 -4.149 1.00 0.00 C ATOM 0 H VAL A 115 -7.958 6.011 -4.106 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.524 7.831 -1.730 1.00 0.00 H new ATOM 0 HB VAL A 115 -7.481 8.605 -4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -5.641 10.088 -3.867 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -7.107 10.301 -2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.744 9.345 -2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.109 7.883 -4.865 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.203 7.129 -3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -6.184 6.491 -4.596 1.00 0.00 H new ATOM 1778 N LEU A 116 -10.166 7.549 -3.497 1.00 0.00 N ATOM 1779 CA LEU A 116 -11.556 8.079 -3.668 1.00 0.00 C ATOM 1780 C LEU A 116 -12.451 7.748 -2.474 1.00 0.00 C ATOM 1781 O LEU A 116 -13.575 8.201 -2.390 1.00 0.00 O ATOM 1782 CB LEU A 116 -12.083 7.363 -4.903 1.00 0.00 C ATOM 1783 CG LEU A 116 -11.505 8.017 -6.147 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -12.116 7.361 -7.381 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -11.841 9.508 -6.127 1.00 0.00 C ATOM 0 H LEU A 116 -10.002 6.627 -3.902 1.00 0.00 H new ATOM 0 HA LEU A 116 -11.552 9.165 -3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.808 6.309 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -13.172 7.408 -4.927 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.422 7.893 -6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -11.707 7.824 -8.279 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -11.880 6.297 -7.382 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -13.198 7.493 -7.365 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -11.430 9.986 -7.016 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.923 9.637 -6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -11.410 9.966 -5.237 1.00 0.00 H new ATOM 1797 N VAL A 117 -11.986 6.948 -1.569 1.00 0.00 N ATOM 1798 CA VAL A 117 -12.845 6.577 -0.408 1.00 0.00 C ATOM 1799 C VAL A 117 -12.775 7.631 0.701 1.00 0.00 C ATOM 1800 O VAL A 117 -13.712 7.812 1.454 1.00 0.00 O ATOM 1801 CB VAL A 117 -12.280 5.254 0.095 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -10.765 5.380 0.265 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -12.916 4.926 1.439 1.00 0.00 C ATOM 0 H VAL A 117 -11.054 6.533 -1.576 1.00 0.00 H new ATOM 0 HA VAL A 117 -13.893 6.504 -0.699 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.498 4.461 -0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.359 4.434 0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.311 5.628 -0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.544 6.167 0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.519 3.981 1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -12.689 5.719 2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -13.996 4.844 1.320 1.00 0.00 H new ATOM 1813 N GLN A 118 -11.674 8.314 0.822 1.00 0.00 N ATOM 1814 CA GLN A 118 -11.549 9.337 1.899 1.00 0.00 C ATOM 1815 C GLN A 118 -12.353 10.598 1.560 1.00 0.00 C ATOM 1816 O GLN A 118 -13.005 11.174 2.408 1.00 0.00 O ATOM 1817 CB GLN A 118 -10.056 9.653 1.960 1.00 0.00 C ATOM 1818 CG GLN A 118 -9.637 9.862 3.415 1.00 0.00 C ATOM 1819 CD GLN A 118 -9.816 8.557 4.193 1.00 0.00 C ATOM 1820 OE1 GLN A 118 -10.956 8.311 4.778 1.00 0.00 O flip ATOM 1821 NE2 GLN A 118 -8.910 7.751 4.267 1.00 0.00 N flip ATOM 0 H GLN A 118 -10.855 8.210 0.223 1.00 0.00 H new ATOM 0 HA GLN A 118 -11.938 8.976 2.851 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -9.483 8.837 1.519 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -9.839 10.547 1.376 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -8.597 10.185 3.462 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -10.237 10.652 3.867 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -8.018 7.942 3.810 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -9.041 6.883 4.786 1.00 0.00 H new