USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 986 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 12 GLN : amide:sc= -4.85 K(o=-17,f=-21!) USER MOD Set 1.2: A 40 HIS : no HE2:sc= -12.3! C(o=-17!,f=-18!) USER MOD Single : A 11 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.1) USER MOD Single : A 25 GLN :FLIP amide:sc= -1.07 F(o=-1.6,f=-1.1) USER MOD Single : A 26 TYR OH : rot 165:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -5.64 K(o=-5.6,f=-6.9!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0227) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 130:sc= -1.59 USER MOD Single : A 49 GLN : amide:sc= -4.58! C(o=-4.6!,f=-13!) USER MOD Single : A 50 MET CE :methyl 169:sc= -1.66 (180deg=-2.12!) USER MOD Single : A 53 HIS : no HD1:sc= -3.04 X(o=-3,f=-3.1!) USER MOD Single : A 56 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.00903) USER MOD Single : A 65 LYS NZ :NH3+ -170:sc= -1.93! (180deg=-2.55!) USER MOD Single : A 68 MET CE :methyl 137:sc= -0.186 (180deg=-0.735) USER MOD Single : A 70 MET CE :methyl 172:sc= -7.74! (180deg=-8.24!) USER MOD Single : A 71 CYS SG : rot 116:sc= -3.83! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.988 K(o=0.99,f=-0.82) USER MOD Single : A 78 THR OG1 : rot 32:sc= -2 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 CYS SG : rot -130:sc= -1.1 USER MOD Single : A 104 GLN : amide:sc= -0.0304 X(o=-0.03,f=-0.024) USER MOD Single : A 105 TYR OH : rot 98:sc= -0.728 USER MOD Single : A 107 GLN :FLIP amide:sc= -0.1 F(o=-0.86,f=-0.1) USER MOD Single : A 108 SER OG : rot -58:sc= 0.383 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.697 K(o=-0.7,f=-2.3!) USER MOD Single : A 118 THR OG1 : rot -77:sc= 0.554 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 110:sc= -0.661 USER MOD Single : A 123 MET CE :methyl 173:sc= -12! (180deg=-12.4!) USER MOD Single : A 125 GLN :FLIP amide:sc= -0.693 F(o=-1.6,f=-0.69) USER MOD Single : A 126 ASN :FLIP amide:sc= -0.249 F(o=-0.96,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 156 N ARG A 10 8.354 16.499 4.466 1.00 0.00 N ATOM 157 CA ARG A 10 9.193 15.324 4.670 1.00 0.00 C ATOM 158 C ARG A 10 9.390 14.560 3.365 1.00 0.00 C ATOM 159 O ARG A 10 8.818 14.913 2.334 1.00 0.00 O ATOM 160 CB ARG A 10 8.575 14.408 5.729 1.00 0.00 C ATOM 161 CG ARG A 10 9.295 14.455 7.068 1.00 0.00 C ATOM 162 CD ARG A 10 10.060 13.168 7.344 1.00 0.00 C ATOM 163 NE ARG A 10 11.488 13.411 7.531 1.00 0.00 N ATOM 164 CZ ARG A 10 12.020 13.885 8.656 1.00 0.00 C ATOM 165 NH1 ARG A 10 11.245 14.169 9.696 1.00 0.00 N ATOM 166 NH2 ARG A 10 13.328 14.075 8.741 1.00 0.00 N ATOM 0 HA ARG A 10 10.169 15.661 5.019 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.532 14.689 5.876 1.00 0.00 H new ATOM 0 HB3 ARG A 10 8.580 13.383 5.359 1.00 0.00 H new ATOM 0 HG2 ARG A 10 9.986 15.298 7.080 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.571 14.625 7.864 1.00 0.00 H new ATOM 0 HD2 ARG A 10 9.654 12.689 8.235 1.00 0.00 H new ATOM 0 HD3 ARG A 10 9.915 12.475 6.515 1.00 0.00 H new ATOM 0 HE ARG A 10 12.115 13.205 6.753 1.00 0.00 H new ATOM 0 HH11 ARG A 10 10.237 14.024 9.636 1.00 0.00 H new ATOM 0 HH12 ARG A 10 11.658 14.532 10.555 1.00 0.00 H new ATOM 0 HH21 ARG A 10 13.928 13.858 7.945 1.00 0.00 H new ATOM 0 HH22 ARG A 10 13.736 14.438 9.603 1.00 0.00 H new ATOM 180 N GLN A 11 10.206 13.512 3.417 1.00 0.00 N ATOM 181 CA GLN A 11 10.481 12.697 2.239 1.00 0.00 C ATOM 182 C GLN A 11 9.368 11.680 2.006 1.00 0.00 C ATOM 183 O GLN A 11 8.882 11.049 2.944 1.00 0.00 O ATOM 184 CB GLN A 11 11.821 11.976 2.393 1.00 0.00 C ATOM 185 CG GLN A 11 13.019 12.912 2.407 1.00 0.00 C ATOM 186 CD GLN A 11 13.179 13.672 1.105 1.00 0.00 C ATOM 187 OE1 GLN A 11 12.685 13.249 0.061 1.00 0.00 O ATOM 188 NE2 GLN A 11 13.875 14.803 1.162 1.00 0.00 N ATOM 0 H GLN A 11 10.688 13.207 4.262 1.00 0.00 H new ATOM 0 HA GLN A 11 10.529 13.360 1.375 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.810 11.400 3.318 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.937 11.264 1.576 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.911 13.622 3.227 1.00 0.00 H new ATOM 0 HG3 GLN A 11 13.924 12.336 2.601 1.00 0.00 H new ATOM 0 HE21 GLN A 11 14.267 15.116 2.050 1.00 0.00 H new ATOM 0 HE22 GLN A 11 14.017 15.358 0.318 1.00 0.00 H new ATOM 197 N GLN A 12 8.971 11.526 0.746 1.00 0.00 N ATOM 198 CA GLN A 12 7.918 10.586 0.384 1.00 0.00 C ATOM 199 C GLN A 12 8.512 9.302 -0.184 1.00 0.00 C ATOM 200 O GLN A 12 8.948 9.264 -1.334 1.00 0.00 O ATOM 201 CB GLN A 12 6.972 11.222 -0.633 1.00 0.00 C ATOM 202 CG GLN A 12 6.170 12.380 -0.062 1.00 0.00 C ATOM 203 CD GLN A 12 5.391 11.996 1.180 1.00 0.00 C ATOM 204 OE1 GLN A 12 4.268 11.497 1.093 1.00 0.00 O ATOM 205 NE2 GLN A 12 5.984 12.227 2.346 1.00 0.00 N ATOM 0 H GLN A 12 9.364 12.041 -0.042 1.00 0.00 H new ATOM 0 HA GLN A 12 7.356 10.336 1.284 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.551 11.575 -1.487 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.285 10.462 -1.006 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.846 13.201 0.177 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.479 12.747 -0.821 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.915 12.642 2.371 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.508 11.989 3.216 1.00 0.00 H new ATOM 214 N ARG A 13 8.537 8.256 0.634 1.00 0.00 N ATOM 215 CA ARG A 13 9.087 6.976 0.222 1.00 0.00 C ATOM 216 C ARG A 13 7.983 5.928 0.068 1.00 0.00 C ATOM 217 O ARG A 13 7.213 5.682 0.998 1.00 0.00 O ATOM 218 CB ARG A 13 10.123 6.518 1.248 1.00 0.00 C ATOM 219 CG ARG A 13 11.516 6.322 0.668 1.00 0.00 C ATOM 220 CD ARG A 13 12.585 6.892 1.588 1.00 0.00 C ATOM 221 NE ARG A 13 13.917 6.384 1.267 1.00 0.00 N ATOM 222 CZ ARG A 13 14.704 6.903 0.326 1.00 0.00 C ATOM 223 NH1 ARG A 13 14.294 7.937 -0.398 1.00 0.00 N ATOM 224 NH2 ARG A 13 15.906 6.386 0.110 1.00 0.00 N ATOM 0 H ARG A 13 8.181 8.273 1.590 1.00 0.00 H new ATOM 0 HA ARG A 13 9.567 7.094 -0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.174 7.253 2.052 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.790 5.581 1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.699 5.259 0.509 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.577 6.805 -0.307 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.585 7.979 1.513 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.343 6.644 2.621 1.00 0.00 H new ATOM 0 HE ARG A 13 14.265 5.584 1.795 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.371 8.339 -0.235 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.902 8.329 -1.117 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.227 5.592 0.664 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.510 6.782 -0.610 1.00 0.00 H new ATOM 238 N PHE A 14 7.914 5.319 -1.111 1.00 0.00 N ATOM 239 CA PHE A 14 6.908 4.299 -1.399 1.00 0.00 C ATOM 240 C PHE A 14 7.562 2.927 -1.532 1.00 0.00 C ATOM 241 O PHE A 14 8.737 2.828 -1.884 1.00 0.00 O ATOM 242 CB PHE A 14 6.153 4.646 -2.687 1.00 0.00 C ATOM 243 CG PHE A 14 5.847 6.113 -2.829 1.00 0.00 C ATOM 244 CD1 PHE A 14 6.856 7.021 -3.107 1.00 0.00 C ATOM 245 CD2 PHE A 14 4.552 6.582 -2.678 1.00 0.00 C ATOM 246 CE1 PHE A 14 6.579 8.370 -3.231 1.00 0.00 C ATOM 247 CE2 PHE A 14 4.271 7.928 -2.800 1.00 0.00 C ATOM 248 CZ PHE A 14 5.286 8.823 -3.077 1.00 0.00 C ATOM 0 H PHE A 14 8.546 5.514 -1.887 1.00 0.00 H new ATOM 0 HA PHE A 14 6.200 4.270 -0.571 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.744 4.322 -3.543 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.219 4.084 -2.714 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.871 6.671 -3.228 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.754 5.887 -2.463 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.374 9.068 -3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.258 8.281 -2.679 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.067 9.876 -3.173 1.00 0.00 H new ATOM 258 N PHE A 15 6.805 1.872 -1.242 1.00 0.00 N ATOM 259 CA PHE A 15 7.344 0.518 -1.330 1.00 0.00 C ATOM 260 C PHE A 15 6.262 -0.514 -1.632 1.00 0.00 C ATOM 261 O PHE A 15 5.091 -0.335 -1.290 1.00 0.00 O ATOM 262 CB PHE A 15 8.064 0.147 -0.032 1.00 0.00 C ATOM 263 CG PHE A 15 8.899 1.258 0.531 1.00 0.00 C ATOM 264 CD1 PHE A 15 8.315 2.254 1.292 1.00 0.00 C ATOM 265 CD2 PHE A 15 10.264 1.310 0.295 1.00 0.00 C ATOM 266 CE1 PHE A 15 9.074 3.282 1.810 1.00 0.00 C ATOM 267 CE2 PHE A 15 11.030 2.338 0.811 1.00 0.00 C ATOM 268 CZ PHE A 15 10.433 3.326 1.569 1.00 0.00 C ATOM 0 H PHE A 15 5.830 1.926 -0.948 1.00 0.00 H new ATOM 0 HA PHE A 15 8.052 0.508 -2.158 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.325 -0.153 0.711 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.701 -0.718 -0.215 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.252 2.226 1.483 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.734 0.539 -0.298 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.606 4.053 2.404 1.00 0.00 H new ATOM 0 HE2 PHE A 15 12.093 2.369 0.622 1.00 0.00 H new ATOM 0 HZ PHE A 15 11.028 4.132 1.973 1.00 0.00 H new ATOM 278 N ARG A 16 6.686 -1.601 -2.267 1.00 0.00 N ATOM 279 CA ARG A 16 5.800 -2.701 -2.624 1.00 0.00 C ATOM 280 C ARG A 16 6.583 -4.009 -2.603 1.00 0.00 C ATOM 281 O ARG A 16 7.734 -4.053 -3.036 1.00 0.00 O ATOM 282 CB ARG A 16 5.189 -2.468 -4.009 1.00 0.00 C ATOM 283 CG ARG A 16 4.409 -3.661 -4.543 1.00 0.00 C ATOM 284 CD ARG A 16 5.156 -4.367 -5.663 1.00 0.00 C ATOM 285 NE ARG A 16 4.306 -4.602 -6.828 1.00 0.00 N ATOM 286 CZ ARG A 16 4.060 -3.689 -7.765 1.00 0.00 C ATOM 287 NH1 ARG A 16 4.597 -2.478 -7.680 1.00 0.00 N ATOM 288 NH2 ARG A 16 3.276 -3.987 -8.791 1.00 0.00 N ATOM 0 H ARG A 16 7.656 -1.744 -2.549 1.00 0.00 H new ATOM 0 HA ARG A 16 4.988 -2.756 -1.899 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.527 -1.603 -3.963 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.986 -2.223 -4.711 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.220 -4.364 -3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.438 -3.327 -4.908 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.017 -3.767 -5.958 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.541 -5.319 -5.298 1.00 0.00 H new ATOM 0 HE ARG A 16 3.875 -5.521 -6.929 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.202 -2.243 -6.893 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.405 -1.783 -8.401 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.861 -4.916 -8.863 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.088 -3.287 -9.509 1.00 0.00 H new ATOM 302 N ILE A 17 5.970 -5.071 -2.090 1.00 0.00 N ATOM 303 CA ILE A 17 6.647 -6.361 -2.015 1.00 0.00 C ATOM 304 C ILE A 17 5.692 -7.519 -2.304 1.00 0.00 C ATOM 305 O ILE A 17 4.647 -7.648 -1.667 1.00 0.00 O ATOM 306 CB ILE A 17 7.308 -6.583 -0.632 1.00 0.00 C ATOM 307 CG1 ILE A 17 6.647 -5.705 0.441 1.00 0.00 C ATOM 308 CG2 ILE A 17 8.805 -6.301 -0.712 1.00 0.00 C ATOM 309 CD1 ILE A 17 7.388 -5.694 1.763 1.00 0.00 C ATOM 0 H ILE A 17 5.018 -5.066 -1.724 1.00 0.00 H new ATOM 0 HA ILE A 17 7.423 -6.342 -2.780 1.00 0.00 H new ATOM 0 HB ILE A 17 7.164 -7.625 -0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.574 -4.684 0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.629 -6.057 0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.258 -6.461 0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.263 -6.972 -1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.965 -5.268 -1.022 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.861 -5.053 2.470 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.438 -6.708 2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.398 -5.313 1.611 1.00 0.00 H new ATOM 321 N PRO A 18 6.047 -8.382 -3.276 1.00 0.00 N ATOM 322 CA PRO A 18 5.236 -9.532 -3.653 1.00 0.00 C ATOM 323 C PRO A 18 5.594 -10.777 -2.848 1.00 0.00 C ATOM 324 O PRO A 18 6.592 -11.440 -3.128 1.00 0.00 O ATOM 325 CB PRO A 18 5.616 -9.725 -5.118 1.00 0.00 C ATOM 326 CG PRO A 18 7.053 -9.325 -5.186 1.00 0.00 C ATOM 327 CD PRO A 18 7.276 -8.305 -4.090 1.00 0.00 C ATOM 0 HA PRO A 18 4.172 -9.375 -3.475 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.476 -10.760 -5.431 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.001 -9.108 -5.773 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.702 -10.190 -5.047 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.291 -8.902 -6.162 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.161 -8.541 -3.500 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.422 -7.305 -4.499 1.00 0.00 H new ATOM 335 N PHE A 19 4.777 -11.095 -1.850 1.00 0.00 N ATOM 336 CA PHE A 19 5.024 -12.268 -1.017 1.00 0.00 C ATOM 337 C PHE A 19 3.859 -13.247 -1.097 1.00 0.00 C ATOM 338 O PHE A 19 2.704 -12.844 -1.219 1.00 0.00 O ATOM 339 CB PHE A 19 5.268 -11.856 0.436 1.00 0.00 C ATOM 340 CG PHE A 19 4.102 -11.157 1.075 1.00 0.00 C ATOM 341 CD1 PHE A 19 2.949 -11.854 1.392 1.00 0.00 C ATOM 342 CD2 PHE A 19 4.163 -9.803 1.363 1.00 0.00 C ATOM 343 CE1 PHE A 19 1.877 -11.214 1.984 1.00 0.00 C ATOM 344 CE2 PHE A 19 3.095 -9.157 1.954 1.00 0.00 C ATOM 345 CZ PHE A 19 1.950 -9.863 2.266 1.00 0.00 C ATOM 0 H PHE A 19 3.944 -10.562 -1.599 1.00 0.00 H new ATOM 0 HA PHE A 19 5.918 -12.765 -1.394 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.510 -12.744 1.019 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.138 -11.201 0.476 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.887 -12.910 1.174 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.057 -9.246 1.122 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.983 -11.769 2.226 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.155 -8.101 2.172 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.114 -9.361 2.729 1.00 0.00 H new ATOM 355 N ILE A 20 4.174 -14.535 -1.032 1.00 0.00 N ATOM 356 CA ILE A 20 3.155 -15.574 -1.101 1.00 0.00 C ATOM 357 C ILE A 20 2.633 -15.917 0.288 1.00 0.00 C ATOM 358 O ILE A 20 3.352 -15.804 1.279 1.00 0.00 O ATOM 359 CB ILE A 20 3.685 -16.860 -1.770 1.00 0.00 C ATOM 360 CG1 ILE A 20 4.694 -16.522 -2.867 1.00 0.00 C ATOM 361 CG2 ILE A 20 2.533 -17.668 -2.345 1.00 0.00 C ATOM 362 CD1 ILE A 20 5.322 -17.740 -3.507 1.00 0.00 C ATOM 0 H ILE A 20 5.127 -14.884 -0.932 1.00 0.00 H new ATOM 0 HA ILE A 20 2.344 -15.174 -1.710 1.00 0.00 H new ATOM 0 HB ILE A 20 4.190 -17.458 -1.012 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.197 -15.932 -3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.481 -15.897 -2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.921 -18.572 -2.814 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.845 -17.941 -1.545 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.006 -17.071 -3.089 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.027 -17.424 -4.276 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.848 -18.319 -2.748 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.544 -18.356 -3.959 1.00 0.00 H new ATOM 374 N ARG A 21 1.375 -16.337 0.350 1.00 0.00 N ATOM 375 CA ARG A 21 0.755 -16.698 1.618 1.00 0.00 C ATOM 376 C ARG A 21 1.318 -18.019 2.138 1.00 0.00 C ATOM 377 O ARG A 21 1.315 -19.021 1.423 1.00 0.00 O ATOM 378 CB ARG A 21 -0.762 -16.797 1.457 1.00 0.00 C ATOM 379 CG ARG A 21 -1.519 -15.749 2.255 1.00 0.00 C ATOM 380 CD ARG A 21 -3.014 -15.839 2.013 1.00 0.00 C ATOM 381 NE ARG A 21 -3.783 -15.565 3.226 1.00 0.00 N ATOM 382 CZ ARG A 21 -5.065 -15.209 3.226 1.00 0.00 C ATOM 383 NH1 ARG A 21 -5.727 -15.083 2.083 1.00 0.00 N ATOM 384 NH2 ARG A 21 -5.687 -14.979 4.374 1.00 0.00 N ATOM 0 H ARG A 21 0.765 -16.436 -0.462 1.00 0.00 H new ATOM 0 HA ARG A 21 0.982 -15.918 2.345 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.016 -16.694 0.402 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.090 -17.789 1.769 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.313 -15.880 3.317 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.164 -14.755 1.981 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.299 -15.130 1.236 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.262 -16.834 1.644 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.309 -15.652 4.125 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.253 -15.259 1.197 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.710 -14.810 2.090 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.183 -15.075 5.255 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.670 -14.706 4.376 1.00 0.00 H new ATOM 398 N PRO A 22 1.810 -18.040 3.393 1.00 0.00 N ATOM 399 CA PRO A 22 2.381 -19.241 4.007 1.00 0.00 C ATOM 400 C PRO A 22 1.606 -20.513 3.669 1.00 0.00 C ATOM 401 O PRO A 22 2.147 -21.449 3.075 1.00 0.00 O ATOM 402 CB PRO A 22 2.283 -18.933 5.498 1.00 0.00 C ATOM 403 CG PRO A 22 2.451 -17.455 5.579 1.00 0.00 C ATOM 404 CD PRO A 22 1.849 -16.888 4.318 1.00 0.00 C ATOM 0 HA PRO A 22 3.392 -19.440 3.653 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.323 -19.247 5.907 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.056 -19.453 6.064 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.952 -17.055 6.462 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.505 -17.188 5.661 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.852 -16.486 4.497 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.454 -16.074 3.917 1.00 0.00 H new ATOM 412 N ALA A 23 0.336 -20.531 4.053 1.00 0.00 N ATOM 413 CA ALA A 23 -0.531 -21.677 3.811 1.00 0.00 C ATOM 414 C ALA A 23 -0.381 -22.211 2.394 1.00 0.00 C ATOM 415 O ALA A 23 -0.158 -23.403 2.186 1.00 0.00 O ATOM 416 CB ALA A 23 -1.980 -21.296 4.076 1.00 0.00 C ATOM 0 H ALA A 23 -0.120 -19.758 4.538 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.231 -22.471 4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.622 -22.158 3.893 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.088 -20.976 5.112 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.269 -20.481 3.413 1.00 0.00 H new ATOM 422 N ASP A 24 -0.522 -21.318 1.431 1.00 0.00 N ATOM 423 CA ASP A 24 -0.431 -21.681 0.017 1.00 0.00 C ATOM 424 C ASP A 24 0.970 -22.157 -0.377 1.00 0.00 C ATOM 425 O ASP A 24 1.118 -23.063 -1.203 1.00 0.00 O ATOM 426 CB ASP A 24 -0.841 -20.488 -0.856 1.00 0.00 C ATOM 427 CG ASP A 24 -2.015 -19.717 -0.282 1.00 0.00 C ATOM 428 OD1 ASP A 24 -2.845 -20.335 0.419 1.00 0.00 O ATOM 429 OD2 ASP A 24 -2.103 -18.497 -0.532 1.00 0.00 O ATOM 0 H ASP A 24 -0.701 -20.328 1.598 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.114 -22.515 -0.147 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.010 -19.816 -0.968 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.099 -20.845 -1.853 1.00 0.00 H new ATOM 434 N GLN A 25 1.993 -21.535 0.201 1.00 0.00 N ATOM 435 CA GLN A 25 3.381 -21.884 -0.113 1.00 0.00 C ATOM 436 C GLN A 25 3.653 -23.366 0.094 1.00 0.00 C ATOM 437 O GLN A 25 4.087 -24.061 -0.825 1.00 0.00 O ATOM 438 CB GLN A 25 4.357 -21.073 0.743 1.00 0.00 C ATOM 439 CG GLN A 25 3.905 -19.650 1.009 1.00 0.00 C ATOM 440 CD GLN A 25 5.061 -18.676 1.115 1.00 0.00 C ATOM 441 OE1 GLN A 25 5.939 -18.686 0.119 1.00 0.00 O flip ATOM 442 NE2 GLN A 25 5.163 -17.918 2.080 1.00 0.00 N flip ATOM 0 H GLN A 25 1.891 -20.788 0.888 1.00 0.00 H new ATOM 0 HA GLN A 25 3.532 -21.645 -1.166 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.499 -21.583 1.696 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.327 -21.049 0.246 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.239 -19.330 0.208 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.328 -19.624 1.933 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.466 -17.943 2.824 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.945 -17.265 2.135 1.00 0.00 H new ATOM 451 N TYR A 26 3.413 -23.841 1.306 1.00 0.00 N ATOM 452 CA TYR A 26 3.655 -25.248 1.623 1.00 0.00 C ATOM 453 C TYR A 26 2.478 -26.128 1.217 1.00 0.00 C ATOM 454 O TYR A 26 2.618 -27.347 1.109 1.00 0.00 O ATOM 455 CB TYR A 26 3.965 -25.441 3.112 1.00 0.00 C ATOM 456 CG TYR A 26 3.234 -24.490 4.028 1.00 0.00 C ATOM 457 CD1 TYR A 26 1.953 -24.775 4.479 1.00 0.00 C ATOM 458 CD2 TYR A 26 3.830 -23.307 4.445 1.00 0.00 C ATOM 459 CE1 TYR A 26 1.286 -23.907 5.317 1.00 0.00 C ATOM 460 CE2 TYR A 26 3.170 -22.434 5.285 1.00 0.00 C ATOM 461 CZ TYR A 26 1.897 -22.738 5.719 1.00 0.00 C ATOM 462 OH TYR A 26 1.233 -21.871 6.558 1.00 0.00 O ATOM 0 H TYR A 26 3.055 -23.284 2.082 1.00 0.00 H new ATOM 0 HA TYR A 26 4.526 -25.555 1.044 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.713 -26.463 3.394 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.038 -25.323 3.266 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.471 -25.691 4.169 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.827 -23.066 4.106 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.288 -24.142 5.657 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.647 -21.518 5.601 1.00 0.00 H new ATOM 0 HH TYR A 26 1.870 -21.229 6.936 1.00 0.00 H new ATOM 472 N LYS A 27 1.323 -25.516 0.980 1.00 0.00 N ATOM 473 CA LYS A 27 0.143 -26.271 0.577 1.00 0.00 C ATOM 474 C LYS A 27 0.402 -26.993 -0.740 1.00 0.00 C ATOM 475 O LYS A 27 0.117 -28.183 -0.872 1.00 0.00 O ATOM 476 CB LYS A 27 -1.070 -25.349 0.448 1.00 0.00 C ATOM 477 CG LYS A 27 -1.963 -25.358 1.678 1.00 0.00 C ATOM 478 CD LYS A 27 -2.738 -24.057 1.819 1.00 0.00 C ATOM 479 CE LYS A 27 -4.167 -24.201 1.320 1.00 0.00 C ATOM 480 NZ LYS A 27 -5.102 -24.583 2.414 1.00 0.00 N ATOM 0 H LYS A 27 1.179 -24.509 1.059 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.070 -27.012 1.347 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.726 -24.331 0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.656 -25.650 -0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.661 -26.193 1.615 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.355 -25.518 2.568 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.746 -23.749 2.865 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.234 -23.270 1.259 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.493 -23.260 0.876 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.202 -24.954 0.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.065 -24.671 2.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.806 -25.493 2.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.088 -23.852 3.154 1.00 0.00 H new ATOM 494 N ASP A 28 0.959 -26.269 -1.707 1.00 0.00 N ATOM 495 CA ASP A 28 1.271 -26.846 -3.012 1.00 0.00 C ATOM 496 C ASP A 28 1.835 -25.790 -3.960 1.00 0.00 C ATOM 497 O ASP A 28 1.376 -24.647 -3.969 1.00 0.00 O ATOM 498 CB ASP A 28 0.026 -27.488 -3.633 1.00 0.00 C ATOM 499 CG ASP A 28 0.328 -28.818 -4.292 1.00 0.00 C ATOM 500 OD1 ASP A 28 0.421 -29.832 -3.568 1.00 0.00 O ATOM 501 OD2 ASP A 28 0.471 -28.847 -5.533 1.00 0.00 O ATOM 0 H ASP A 28 1.203 -25.283 -1.612 1.00 0.00 H new ATOM 0 HA ASP A 28 2.028 -27.615 -2.859 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.729 -27.632 -2.860 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.400 -26.808 -4.371 1.00 0.00 H new ATOM 506 N PRO A 29 2.835 -26.158 -4.780 1.00 0.00 N ATOM 507 CA PRO A 29 3.452 -25.235 -5.738 1.00 0.00 C ATOM 508 C PRO A 29 2.459 -24.736 -6.782 1.00 0.00 C ATOM 509 O PRO A 29 2.689 -23.715 -7.432 1.00 0.00 O ATOM 510 CB PRO A 29 4.550 -26.072 -6.401 1.00 0.00 C ATOM 511 CG PRO A 29 4.150 -27.484 -6.167 1.00 0.00 C ATOM 512 CD PRO A 29 3.441 -27.499 -4.844 1.00 0.00 C ATOM 0 HA PRO A 29 3.828 -24.337 -5.247 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.624 -25.854 -7.466 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.526 -25.860 -5.964 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.498 -27.842 -6.963 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.021 -28.139 -6.150 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.688 -28.285 -4.798 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.131 -27.670 -4.018 1.00 0.00 H new ATOM 520 N GLN A 30 1.353 -25.458 -6.936 1.00 0.00 N ATOM 521 CA GLN A 30 0.323 -25.084 -7.898 1.00 0.00 C ATOM 522 C GLN A 30 -0.655 -24.093 -7.278 1.00 0.00 C ATOM 523 O GLN A 30 -1.094 -23.147 -7.930 1.00 0.00 O ATOM 524 CB GLN A 30 -0.425 -26.325 -8.387 1.00 0.00 C ATOM 525 CG GLN A 30 0.277 -27.051 -9.523 1.00 0.00 C ATOM 526 CD GLN A 30 -0.689 -27.562 -10.574 1.00 0.00 C ATOM 527 OE1 GLN A 30 -0.950 -26.892 -11.572 1.00 0.00 O ATOM 528 NE2 GLN A 30 -1.225 -28.756 -10.353 1.00 0.00 N ATOM 0 H GLN A 30 1.148 -26.305 -6.407 1.00 0.00 H new ATOM 0 HA GLN A 30 0.807 -24.607 -8.750 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.554 -27.014 -7.552 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.422 -26.032 -8.716 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.994 -26.377 -9.991 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.844 -27.889 -9.118 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.980 -29.277 -9.511 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.882 -29.152 -11.025 1.00 0.00 H new ATOM 537 N ASN A 31 -0.987 -24.318 -6.011 1.00 0.00 N ATOM 538 CA ASN A 31 -1.906 -23.445 -5.295 1.00 0.00 C ATOM 539 C ASN A 31 -1.153 -22.572 -4.298 1.00 0.00 C ATOM 540 O ASN A 31 -1.430 -22.599 -3.099 1.00 0.00 O ATOM 541 CB ASN A 31 -2.974 -24.267 -4.568 1.00 0.00 C ATOM 542 CG ASN A 31 -2.388 -25.447 -3.820 1.00 0.00 C ATOM 543 OD1 ASN A 31 -2.578 -26.601 -4.207 1.00 0.00 O ATOM 544 ND2 ASN A 31 -1.671 -25.163 -2.741 1.00 0.00 N ATOM 0 H ASN A 31 -0.632 -25.099 -5.459 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.396 -22.800 -6.024 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.507 -23.625 -3.867 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.706 -24.627 -5.291 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.251 -25.915 -2.195 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.539 -24.192 -2.457 1.00 0.00 H new ATOM 551 N LYS A 32 -0.197 -21.798 -4.802 1.00 0.00 N ATOM 552 CA LYS A 32 0.600 -20.914 -3.956 1.00 0.00 C ATOM 553 C LYS A 32 0.277 -19.450 -4.253 1.00 0.00 C ATOM 554 O LYS A 32 1.166 -18.655 -4.555 1.00 0.00 O ATOM 555 CB LYS A 32 2.098 -21.178 -4.148 1.00 0.00 C ATOM 556 CG LYS A 32 2.451 -21.795 -5.492 1.00 0.00 C ATOM 557 CD LYS A 32 2.309 -20.788 -6.623 1.00 0.00 C ATOM 558 CE LYS A 32 3.639 -20.531 -7.311 1.00 0.00 C ATOM 559 NZ LYS A 32 3.488 -20.419 -8.788 1.00 0.00 N ATOM 0 H LYS A 32 0.045 -21.764 -5.792 1.00 0.00 H new ATOM 0 HA LYS A 32 0.346 -21.122 -2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.639 -20.238 -4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.444 -21.840 -3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.474 -22.170 -5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.803 -22.651 -5.682 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.587 -21.157 -7.351 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.915 -19.851 -6.230 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.078 -19.613 -6.920 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.331 -21.340 -7.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.418 -20.244 -9.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.093 -21.304 -9.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.848 -19.631 -9.013 1.00 0.00 H new ATOM 573 N LYS A 33 -1.007 -19.109 -4.164 1.00 0.00 N ATOM 574 CA LYS A 33 -1.474 -17.747 -4.422 1.00 0.00 C ATOM 575 C LYS A 33 -0.535 -16.707 -3.813 1.00 0.00 C ATOM 576 O LYS A 33 -0.045 -16.877 -2.695 1.00 0.00 O ATOM 577 CB LYS A 33 -2.888 -17.561 -3.865 1.00 0.00 C ATOM 578 CG LYS A 33 -3.982 -17.815 -4.890 1.00 0.00 C ATOM 579 CD LYS A 33 -4.752 -19.093 -4.588 1.00 0.00 C ATOM 580 CE LYS A 33 -4.659 -20.087 -5.735 1.00 0.00 C ATOM 581 NZ LYS A 33 -4.757 -21.496 -5.260 1.00 0.00 N ATOM 0 H LYS A 33 -1.749 -19.763 -3.913 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.486 -17.599 -5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.029 -18.235 -3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.988 -16.545 -3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.671 -16.970 -4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.540 -17.883 -5.884 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.360 -19.548 -3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.798 -18.852 -4.399 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.456 -19.889 -6.452 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.715 -19.946 -6.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.472 -22.141 -6.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.129 -21.631 -4.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.738 -21.701 -4.981 1.00 0.00 H new ATOM 595 N LYS A 34 -0.279 -15.637 -4.560 1.00 0.00 N ATOM 596 CA LYS A 34 0.611 -14.577 -4.100 1.00 0.00 C ATOM 597 C LYS A 34 -0.155 -13.310 -3.738 1.00 0.00 C ATOM 598 O LYS A 34 -1.138 -12.955 -4.388 1.00 0.00 O ATOM 599 CB LYS A 34 1.644 -14.257 -5.171 1.00 0.00 C ATOM 600 CG LYS A 34 2.976 -13.822 -4.589 1.00 0.00 C ATOM 601 CD LYS A 34 4.115 -14.027 -5.572 1.00 0.00 C ATOM 602 CE LYS A 34 4.201 -15.466 -6.055 1.00 0.00 C ATOM 603 NZ LYS A 34 3.909 -15.582 -7.511 1.00 0.00 N ATOM 0 H LYS A 34 -0.676 -15.481 -5.487 1.00 0.00 H new ATOM 0 HA LYS A 34 1.110 -14.939 -3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.796 -15.136 -5.798 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.259 -13.468 -5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.924 -12.770 -4.308 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.176 -14.386 -3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.979 -13.365 -6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.056 -13.747 -5.099 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.198 -15.858 -5.852 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.497 -16.080 -5.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.978 -16.578 -7.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.948 -15.232 -7.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.596 -15.017 -8.049 1.00 0.00 H new ATOM 617 N GLY A 35 0.319 -12.624 -2.703 1.00 0.00 N ATOM 618 CA GLY A 35 -0.308 -11.391 -2.269 1.00 0.00 C ATOM 619 C GLY A 35 0.659 -10.223 -2.308 1.00 0.00 C ATOM 620 O GLY A 35 1.770 -10.310 -1.781 1.00 0.00 O ATOM 0 H GLY A 35 1.132 -12.903 -2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.165 -11.175 -2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.689 -11.514 -1.255 1.00 0.00 H new ATOM 624 N TRP A 36 0.242 -9.129 -2.938 1.00 0.00 N ATOM 625 CA TRP A 36 1.087 -7.947 -3.049 1.00 0.00 C ATOM 626 C TRP A 36 0.731 -6.915 -1.986 1.00 0.00 C ATOM 627 O TRP A 36 -0.442 -6.621 -1.755 1.00 0.00 O ATOM 628 CB TRP A 36 0.962 -7.340 -4.446 1.00 0.00 C ATOM 629 CG TRP A 36 1.444 -8.263 -5.520 1.00 0.00 C ATOM 630 CD1 TRP A 36 2.716 -8.362 -6.003 1.00 0.00 C ATOM 631 CD2 TRP A 36 0.665 -9.227 -6.236 1.00 0.00 C ATOM 632 NE1 TRP A 36 2.778 -9.332 -6.974 1.00 0.00 N ATOM 633 CE2 TRP A 36 1.531 -9.877 -7.136 1.00 0.00 C ATOM 634 CE3 TRP A 36 -0.681 -9.603 -6.203 1.00 0.00 C ATOM 635 CZ2 TRP A 36 1.094 -10.884 -7.994 1.00 0.00 C ATOM 636 CZ3 TRP A 36 -1.113 -10.602 -7.056 1.00 0.00 C ATOM 637 CH2 TRP A 36 -0.228 -11.233 -7.939 1.00 0.00 C ATOM 0 H TRP A 36 -0.674 -9.037 -3.378 1.00 0.00 H new ATOM 0 HA TRP A 36 2.121 -8.251 -2.887 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.080 -7.083 -4.634 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.532 -6.412 -4.487 1.00 0.00 H new ATOM 0 HD1 TRP A 36 3.552 -7.765 -5.671 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.615 -9.602 -7.490 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.370 -9.123 -5.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.774 -11.371 -8.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.151 -10.901 -7.041 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.597 -12.012 -8.590 1.00 0.00 H new ATOM 648 N TRP A 37 1.757 -6.376 -1.338 1.00 0.00 N ATOM 649 CA TRP A 37 1.566 -5.383 -0.289 1.00 0.00 C ATOM 650 C TRP A 37 2.119 -4.025 -0.715 1.00 0.00 C ATOM 651 O TRP A 37 3.320 -3.877 -0.942 1.00 0.00 O ATOM 652 CB TRP A 37 2.256 -5.855 0.992 1.00 0.00 C ATOM 653 CG TRP A 37 1.913 -5.049 2.210 1.00 0.00 C ATOM 654 CD1 TRP A 37 0.687 -4.922 2.795 1.00 0.00 C ATOM 655 CD2 TRP A 37 2.818 -4.270 2.996 1.00 0.00 C ATOM 656 NE1 TRP A 37 0.776 -4.109 3.901 1.00 0.00 N ATOM 657 CE2 TRP A 37 2.074 -3.696 4.045 1.00 0.00 C ATOM 658 CE3 TRP A 37 4.186 -4.002 2.915 1.00 0.00 C ATOM 659 CZ2 TRP A 37 2.658 -2.870 5.005 1.00 0.00 C ATOM 660 CZ3 TRP A 37 4.763 -3.184 3.864 1.00 0.00 C ATOM 661 CH2 TRP A 37 4.001 -2.627 4.899 1.00 0.00 C ATOM 0 H TRP A 37 2.732 -6.611 -1.522 1.00 0.00 H new ATOM 0 HA TRP A 37 0.497 -5.269 -0.106 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.989 -6.896 1.172 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.335 -5.824 0.842 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.220 -5.391 2.442 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.001 -3.855 4.514 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.783 -4.428 2.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.072 -2.438 5.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.820 -2.969 3.808 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.483 -1.993 5.628 1.00 0.00 H new ATOM 672 N TYR A 38 1.234 -3.037 -0.811 1.00 0.00 N ATOM 673 CA TYR A 38 1.629 -1.688 -1.198 1.00 0.00 C ATOM 674 C TYR A 38 1.504 -0.742 -0.011 1.00 0.00 C ATOM 675 O TYR A 38 0.630 -0.918 0.838 1.00 0.00 O ATOM 676 CB TYR A 38 0.754 -1.180 -2.346 1.00 0.00 C ATOM 677 CG TYR A 38 0.893 -1.969 -3.629 1.00 0.00 C ATOM 678 CD1 TYR A 38 0.457 -3.285 -3.709 1.00 0.00 C ATOM 679 CD2 TYR A 38 1.454 -1.392 -4.761 1.00 0.00 C ATOM 680 CE1 TYR A 38 0.577 -4.005 -4.883 1.00 0.00 C ATOM 681 CE2 TYR A 38 1.577 -2.106 -5.939 1.00 0.00 C ATOM 682 CZ TYR A 38 1.137 -3.411 -5.994 1.00 0.00 C ATOM 683 OH TYR A 38 1.259 -4.126 -7.164 1.00 0.00 O ATOM 0 H TYR A 38 0.237 -3.146 -0.626 1.00 0.00 H new ATOM 0 HA TYR A 38 2.667 -1.719 -1.529 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.289 -1.203 -2.030 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.004 -0.138 -2.545 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.017 -3.753 -2.841 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.800 -0.370 -4.721 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.234 -5.028 -4.930 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.015 -1.644 -6.811 1.00 0.00 H new ATOM 0 HH TYR A 38 0.895 -3.601 -7.907 1.00 0.00 H new ATOM 693 N ALA A 39 2.374 0.261 0.053 1.00 0.00 N ATOM 694 CA ALA A 39 2.329 1.215 1.153 1.00 0.00 C ATOM 695 C ALA A 39 3.244 2.408 0.911 1.00 0.00 C ATOM 696 O ALA A 39 4.446 2.253 0.695 1.00 0.00 O ATOM 697 CB ALA A 39 2.702 0.523 2.455 1.00 0.00 C ATOM 0 H ALA A 39 3.108 0.432 -0.634 1.00 0.00 H new ATOM 0 HA ALA A 39 1.309 1.595 1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.666 1.243 3.273 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.998 -0.286 2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.710 0.115 2.375 1.00 0.00 H new ATOM 703 N HIS A 40 2.664 3.601 0.975 1.00 0.00 N ATOM 704 CA HIS A 40 3.419 4.832 0.791 1.00 0.00 C ATOM 705 C HIS A 40 3.779 5.412 2.152 1.00 0.00 C ATOM 706 O HIS A 40 2.957 6.071 2.796 1.00 0.00 O ATOM 707 CB HIS A 40 2.609 5.848 -0.019 1.00 0.00 C ATOM 708 CG HIS A 40 3.219 7.215 -0.058 1.00 0.00 C ATOM 709 ND1 HIS A 40 2.526 8.338 -0.460 1.00 0.00 N ATOM 710 CD2 HIS A 40 4.461 7.640 0.272 1.00 0.00 C ATOM 711 CE1 HIS A 40 3.316 9.393 -0.376 1.00 0.00 C ATOM 712 NE2 HIS A 40 4.496 8.997 0.068 1.00 0.00 N ATOM 0 H HIS A 40 1.670 3.741 1.154 1.00 0.00 H new ATOM 0 HA HIS A 40 4.332 4.608 0.238 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.499 5.480 -1.039 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.607 5.920 0.404 1.00 0.00 H new ATOM 0 HD1 HIS A 40 1.555 8.351 -0.773 1.00 0.00 H new ATOM 0 HD2 HIS A 40 5.274 7.025 0.630 1.00 0.00 H new ATOM 0 HE1 HIS A 40 3.044 10.407 -0.628 1.00 0.00 H new ATOM 721 N PHE A 41 5.003 5.141 2.592 1.00 0.00 N ATOM 722 CA PHE A 41 5.471 5.613 3.887 1.00 0.00 C ATOM 723 C PHE A 41 6.030 7.031 3.803 1.00 0.00 C ATOM 724 O PHE A 41 7.012 7.283 3.102 1.00 0.00 O ATOM 725 CB PHE A 41 6.544 4.672 4.441 1.00 0.00 C ATOM 726 CG PHE A 41 5.995 3.473 5.156 1.00 0.00 C ATOM 727 CD1 PHE A 41 5.253 2.519 4.478 1.00 0.00 C ATOM 728 CD2 PHE A 41 6.224 3.299 6.511 1.00 0.00 C ATOM 729 CE1 PHE A 41 4.748 1.416 5.140 1.00 0.00 C ATOM 730 CE2 PHE A 41 5.724 2.200 7.177 1.00 0.00 C ATOM 731 CZ PHE A 41 4.984 1.255 6.492 1.00 0.00 C ATOM 0 H PHE A 41 5.689 4.596 2.069 1.00 0.00 H new ATOM 0 HA PHE A 41 4.612 5.625 4.558 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.176 4.334 3.619 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.183 5.230 5.126 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.067 2.639 3.421 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.802 4.033 7.053 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.169 0.680 4.601 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.911 2.078 8.234 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.591 0.393 7.012 1.00 0.00 H new ATOM 741 N ASP A 42 5.414 7.944 4.546 1.00 0.00 N ATOM 742 CA ASP A 42 5.863 9.328 4.587 1.00 0.00 C ATOM 743 C ASP A 42 6.860 9.493 5.724 1.00 0.00 C ATOM 744 O ASP A 42 6.513 9.317 6.894 1.00 0.00 O ATOM 745 CB ASP A 42 4.677 10.275 4.781 1.00 0.00 C ATOM 746 CG ASP A 42 3.788 9.860 5.938 1.00 0.00 C ATOM 747 OD1 ASP A 42 2.888 9.021 5.723 1.00 0.00 O ATOM 748 OD2 ASP A 42 3.992 10.374 7.057 1.00 0.00 O ATOM 0 H ASP A 42 4.600 7.748 5.129 1.00 0.00 H new ATOM 0 HA ASP A 42 6.342 9.578 3.640 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.047 11.285 4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.086 10.305 3.865 1.00 0.00 H new ATOM 753 N GLY A 43 8.106 9.798 5.381 1.00 0.00 N ATOM 754 CA GLY A 43 9.124 9.937 6.404 1.00 0.00 C ATOM 755 C GLY A 43 9.253 8.666 7.225 1.00 0.00 C ATOM 756 O GLY A 43 9.258 7.570 6.664 1.00 0.00 O ATOM 0 H GLY A 43 8.427 9.950 4.425 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.081 10.172 5.939 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.874 10.772 7.058 1.00 0.00 H new ATOM 760 N PRO A 44 9.353 8.770 8.558 1.00 0.00 N ATOM 761 CA PRO A 44 9.472 7.602 9.432 1.00 0.00 C ATOM 762 C PRO A 44 8.160 6.824 9.549 1.00 0.00 C ATOM 763 O PRO A 44 8.148 5.676 9.994 1.00 0.00 O ATOM 764 CB PRO A 44 9.856 8.201 10.798 1.00 0.00 C ATOM 765 CG PRO A 44 10.146 9.646 10.543 1.00 0.00 C ATOM 766 CD PRO A 44 9.357 10.020 9.324 1.00 0.00 C ATOM 0 HA PRO A 44 10.199 6.887 9.046 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.045 8.086 11.517 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.727 7.695 11.216 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.857 10.258 11.397 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.212 9.807 10.382 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.348 10.345 9.577 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.825 10.834 8.771 1.00 0.00 H new ATOM 774 N TRP A 45 7.056 7.464 9.174 1.00 0.00 N ATOM 775 CA TRP A 45 5.737 6.849 9.263 1.00 0.00 C ATOM 776 C TRP A 45 5.109 6.653 7.886 1.00 0.00 C ATOM 777 O TRP A 45 5.755 6.864 6.860 1.00 0.00 O ATOM 778 CB TRP A 45 4.839 7.724 10.134 1.00 0.00 C ATOM 779 CG TRP A 45 5.620 8.504 11.145 1.00 0.00 C ATOM 780 CD1 TRP A 45 6.352 9.634 10.926 1.00 0.00 C ATOM 781 CD2 TRP A 45 5.771 8.192 12.528 1.00 0.00 C ATOM 782 NE1 TRP A 45 6.941 10.047 12.095 1.00 0.00 N ATOM 783 CE2 TRP A 45 6.595 9.178 13.096 1.00 0.00 C ATOM 784 CE3 TRP A 45 5.278 7.174 13.336 1.00 0.00 C ATOM 785 CZ2 TRP A 45 6.938 9.172 14.446 1.00 0.00 C ATOM 786 CZ3 TRP A 45 5.618 7.163 14.677 1.00 0.00 C ATOM 787 CH2 TRP A 45 6.441 8.158 15.220 1.00 0.00 C ATOM 0 H TRP A 45 7.050 8.414 8.803 1.00 0.00 H new ATOM 0 HA TRP A 45 5.845 5.861 9.711 1.00 0.00 H new ATOM 0 HB2 TRP A 45 4.279 8.412 9.500 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.109 7.097 10.646 1.00 0.00 H new ATOM 0 HD1 TRP A 45 6.453 10.131 9.972 1.00 0.00 H new ATOM 0 HE1 TRP A 45 7.539 10.867 12.201 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.641 6.405 12.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.572 9.938 14.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.243 6.376 15.314 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.689 8.125 16.271 1.00 0.00 H new ATOM 798 N ILE A 46 3.843 6.238 7.872 1.00 0.00 N ATOM 799 CA ILE A 46 3.132 6.004 6.620 1.00 0.00 C ATOM 800 C ILE A 46 1.756 6.661 6.621 1.00 0.00 C ATOM 801 O ILE A 46 1.154 6.875 7.674 1.00 0.00 O ATOM 802 CB ILE A 46 2.987 4.491 6.332 1.00 0.00 C ATOM 803 CG1 ILE A 46 1.925 4.229 5.260 1.00 0.00 C ATOM 804 CG2 ILE A 46 2.655 3.735 7.606 1.00 0.00 C ATOM 805 CD1 ILE A 46 1.874 2.786 4.804 1.00 0.00 C ATOM 0 H ILE A 46 3.292 6.058 8.711 1.00 0.00 H new ATOM 0 HA ILE A 46 3.730 6.458 5.830 1.00 0.00 H new ATOM 0 HB ILE A 46 3.943 4.130 5.952 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.948 4.514 5.650 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.123 4.868 4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.557 2.672 7.383 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.453 3.881 8.334 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.717 4.108 8.016 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.100 2.671 4.045 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.839 2.503 4.384 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.646 2.144 5.654 1.00 0.00 H new ATOM 817 N ALA A 47 1.274 6.981 5.425 1.00 0.00 N ATOM 818 CA ALA A 47 -0.026 7.618 5.265 1.00 0.00 C ATOM 819 C ALA A 47 -0.908 6.858 4.276 1.00 0.00 C ATOM 820 O ALA A 47 -2.135 6.920 4.361 1.00 0.00 O ATOM 821 CB ALA A 47 0.150 9.061 4.813 1.00 0.00 C ATOM 0 H ALA A 47 1.767 6.808 4.549 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.526 7.603 6.233 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.828 9.528 4.696 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.727 9.608 5.559 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.678 9.082 3.860 1.00 0.00 H new ATOM 827 N ARG A 48 -0.289 6.143 3.334 1.00 0.00 N ATOM 828 CA ARG A 48 -1.047 5.386 2.341 1.00 0.00 C ATOM 829 C ARG A 48 -0.771 3.889 2.456 1.00 0.00 C ATOM 830 O ARG A 48 0.374 3.470 2.619 1.00 0.00 O ATOM 831 CB ARG A 48 -0.699 5.872 0.932 1.00 0.00 C ATOM 832 CG ARG A 48 -1.912 6.212 0.079 1.00 0.00 C ATOM 833 CD ARG A 48 -1.505 6.808 -1.263 1.00 0.00 C ATOM 834 NE ARG A 48 -0.338 6.138 -1.836 1.00 0.00 N ATOM 835 CZ ARG A 48 0.387 6.632 -2.836 1.00 0.00 C ATOM 836 NH1 ARG A 48 0.057 7.786 -3.400 1.00 0.00 N ATOM 837 NH2 ARG A 48 1.442 5.962 -3.281 1.00 0.00 N ATOM 0 H ARG A 48 0.724 6.074 3.240 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.108 5.552 2.530 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.063 6.754 1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.116 5.102 0.427 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.505 5.312 -0.087 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.547 6.918 0.614 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -2.341 6.736 -1.959 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.287 7.868 -1.136 1.00 0.00 H new ATOM 0 HE ARG A 48 -0.063 5.237 -1.445 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.758 8.302 -3.067 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.618 8.158 -4.166 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.696 5.070 -2.857 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.999 6.339 -4.048 1.00 0.00 H new ATOM 851 N GLN A 49 -1.830 3.087 2.369 1.00 0.00 N ATOM 852 CA GLN A 49 -1.698 1.637 2.463 1.00 0.00 C ATOM 853 C GLN A 49 -2.707 0.938 1.553 1.00 0.00 C ATOM 854 O GLN A 49 -3.890 1.272 1.548 1.00 0.00 O ATOM 855 CB GLN A 49 -1.889 1.181 3.913 1.00 0.00 C ATOM 856 CG GLN A 49 -1.850 -0.330 4.097 1.00 0.00 C ATOM 857 CD GLN A 49 -0.474 -0.834 4.485 1.00 0.00 C ATOM 858 OE1 GLN A 49 -0.241 -1.215 5.631 1.00 0.00 O ATOM 859 NE2 GLN A 49 0.447 -0.836 3.529 1.00 0.00 N ATOM 0 H GLN A 49 -2.786 3.416 2.234 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.695 1.364 2.135 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.112 1.632 4.530 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.845 1.557 4.278 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.568 -0.618 4.865 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.162 -0.813 3.171 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.210 -0.511 2.592 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.392 -1.163 3.732 1.00 0.00 H new ATOM 868 N MET A 50 -2.225 -0.035 0.787 1.00 0.00 N ATOM 869 CA MET A 50 -3.079 -0.787 -0.127 1.00 0.00 C ATOM 870 C MET A 50 -2.651 -2.251 -0.183 1.00 0.00 C ATOM 871 O MET A 50 -1.473 -2.555 -0.376 1.00 0.00 O ATOM 872 CB MET A 50 -3.033 -0.173 -1.526 1.00 0.00 C ATOM 873 CG MET A 50 -4.105 -0.711 -2.462 1.00 0.00 C ATOM 874 SD MET A 50 -3.444 -1.223 -4.060 1.00 0.00 S ATOM 875 CE MET A 50 -2.662 0.293 -4.606 1.00 0.00 C ATOM 0 H MET A 50 -1.246 -0.322 0.781 1.00 0.00 H new ATOM 0 HA MET A 50 -4.102 -0.739 0.245 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.144 0.908 -1.443 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.053 -0.360 -1.964 1.00 0.00 H new ATOM 0 HG2 MET A 50 -4.600 -1.559 -1.990 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.864 0.056 -2.617 1.00 0.00 H new ATOM 0 HE1 MET A 50 -2.045 0.089 -5.481 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.428 1.025 -4.864 1.00 0.00 H new ATOM 0 HE3 MET A 50 -2.037 0.689 -3.805 1.00 0.00 H new ATOM 885 N GLU A 51 -3.611 -3.153 -0.007 1.00 0.00 N ATOM 886 CA GLU A 51 -3.327 -4.586 -0.030 1.00 0.00 C ATOM 887 C GLU A 51 -3.997 -5.262 -1.225 1.00 0.00 C ATOM 888 O GLU A 51 -5.129 -4.941 -1.579 1.00 0.00 O ATOM 889 CB GLU A 51 -3.798 -5.238 1.272 1.00 0.00 C ATOM 890 CG GLU A 51 -2.730 -6.074 1.957 1.00 0.00 C ATOM 891 CD GLU A 51 -2.493 -5.656 3.395 1.00 0.00 C ATOM 892 OE1 GLU A 51 -2.701 -4.465 3.710 1.00 0.00 O ATOM 893 OE2 GLU A 51 -2.101 -6.520 4.207 1.00 0.00 O ATOM 0 H GLU A 51 -4.591 -2.919 0.153 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.249 -4.715 -0.127 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.133 -4.460 1.958 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.661 -5.869 1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.024 -7.123 1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.797 -5.991 1.400 1.00 0.00 H new ATOM 900 N LEU A 52 -3.284 -6.206 -1.835 1.00 0.00 N ATOM 901 CA LEU A 52 -3.804 -6.937 -2.987 1.00 0.00 C ATOM 902 C LEU A 52 -3.525 -8.431 -2.852 1.00 0.00 C ATOM 903 O LEU A 52 -2.382 -8.870 -2.974 1.00 0.00 O ATOM 904 CB LEU A 52 -3.180 -6.409 -4.280 1.00 0.00 C ATOM 905 CG LEU A 52 -3.601 -4.994 -4.675 1.00 0.00 C ATOM 906 CD1 LEU A 52 -2.586 -4.381 -5.629 1.00 0.00 C ATOM 907 CD2 LEU A 52 -4.985 -5.007 -5.305 1.00 0.00 C ATOM 0 H LEU A 52 -2.344 -6.482 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.883 -6.785 -3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.095 -6.433 -4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.438 -7.088 -5.093 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.638 -4.382 -3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.903 -3.374 -5.899 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.611 -4.337 -5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.516 -4.993 -6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.269 -3.991 -5.580 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.973 -5.635 -6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.706 -5.404 -4.591 1.00 0.00 H new ATOM 919 N HIS A 53 -4.573 -9.209 -2.600 1.00 0.00 N ATOM 920 CA HIS A 53 -4.431 -10.654 -2.453 1.00 0.00 C ATOM 921 C HIS A 53 -5.536 -11.389 -3.210 1.00 0.00 C ATOM 922 O HIS A 53 -6.697 -10.983 -3.175 1.00 0.00 O ATOM 923 CB HIS A 53 -4.472 -11.040 -0.973 1.00 0.00 C ATOM 924 CG HIS A 53 -3.337 -10.477 -0.175 1.00 0.00 C ATOM 925 ND1 HIS A 53 -2.356 -11.260 0.394 1.00 0.00 N ATOM 926 CD2 HIS A 53 -3.028 -9.197 0.146 1.00 0.00 C ATOM 927 CE1 HIS A 53 -1.495 -10.488 1.033 1.00 0.00 C ATOM 928 NE2 HIS A 53 -1.879 -9.234 0.897 1.00 0.00 N ATOM 0 H HIS A 53 -5.527 -8.865 -2.494 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.469 -10.946 -2.874 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.413 -10.697 -0.543 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.460 -12.127 -0.889 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.582 -8.314 -0.136 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.624 -10.827 1.575 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -1.400 -8.422 1.287 1.00 0.00 H new ATOM 937 N PRO A 54 -5.196 -12.487 -3.904 1.00 0.00 N ATOM 938 CA PRO A 54 -6.170 -13.273 -4.664 1.00 0.00 C ATOM 939 C PRO A 54 -7.370 -13.682 -3.816 1.00 0.00 C ATOM 940 O PRO A 54 -8.453 -13.944 -4.341 1.00 0.00 O ATOM 941 CB PRO A 54 -5.382 -14.513 -5.114 1.00 0.00 C ATOM 942 CG PRO A 54 -4.126 -14.496 -4.312 1.00 0.00 C ATOM 943 CD PRO A 54 -3.848 -13.055 -4.005 1.00 0.00 C ATOM 0 HA PRO A 54 -6.585 -12.702 -5.494 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.950 -15.426 -4.935 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.167 -14.476 -6.182 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.241 -15.075 -3.395 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.302 -14.942 -4.869 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.288 -12.938 -3.077 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.264 -12.578 -4.792 1.00 0.00 H new ATOM 951 N ASP A 55 -7.172 -13.733 -2.502 1.00 0.00 N ATOM 952 CA ASP A 55 -8.238 -14.108 -1.582 1.00 0.00 C ATOM 953 C ASP A 55 -8.925 -12.872 -1.008 1.00 0.00 C ATOM 954 O ASP A 55 -10.105 -12.912 -0.663 1.00 0.00 O ATOM 955 CB ASP A 55 -7.681 -14.969 -0.447 1.00 0.00 C ATOM 956 CG ASP A 55 -6.868 -16.142 -0.958 1.00 0.00 C ATOM 957 OD1 ASP A 55 -7.368 -16.873 -1.839 1.00 0.00 O ATOM 958 OD2 ASP A 55 -5.730 -16.330 -0.477 1.00 0.00 O ATOM 0 H ASP A 55 -6.282 -13.519 -2.051 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.976 -14.685 -2.139 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.057 -14.353 0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.505 -15.340 0.163 1.00 0.00 H new ATOM 963 N LYS A 56 -8.178 -11.775 -0.908 1.00 0.00 N ATOM 964 CA LYS A 56 -8.720 -10.530 -0.376 1.00 0.00 C ATOM 965 C LYS A 56 -8.671 -9.422 -1.428 1.00 0.00 C ATOM 966 O LYS A 56 -7.600 -9.092 -1.943 1.00 0.00 O ATOM 967 CB LYS A 56 -7.939 -10.102 0.869 1.00 0.00 C ATOM 968 CG LYS A 56 -8.219 -10.969 2.088 1.00 0.00 C ATOM 969 CD LYS A 56 -6.932 -11.420 2.763 1.00 0.00 C ATOM 970 CE LYS A 56 -6.644 -10.606 4.013 1.00 0.00 C ATOM 971 NZ LYS A 56 -7.535 -10.990 5.143 1.00 0.00 N ATOM 0 H LYS A 56 -7.198 -11.724 -1.188 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.761 -10.702 -0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.872 -10.133 0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.185 -9.067 1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.828 -10.411 2.800 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.799 -11.842 1.789 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.008 -12.476 3.024 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.101 -11.323 2.065 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.604 -10.747 4.307 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.772 -9.546 3.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.597 -10.202 5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.484 -11.208 4.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.147 -11.828 5.622 1.00 0.00 H new ATOM 985 N PRO A 57 -9.831 -8.825 -1.768 1.00 0.00 N ATOM 986 CA PRO A 57 -9.904 -7.752 -2.762 1.00 0.00 C ATOM 987 C PRO A 57 -8.979 -6.587 -2.423 1.00 0.00 C ATOM 988 O PRO A 57 -8.277 -6.617 -1.413 1.00 0.00 O ATOM 989 CB PRO A 57 -11.373 -7.303 -2.722 1.00 0.00 C ATOM 990 CG PRO A 57 -11.930 -7.881 -1.464 1.00 0.00 C ATOM 991 CD PRO A 57 -11.155 -9.140 -1.208 1.00 0.00 C ATOM 0 HA PRO A 57 -9.586 -8.095 -3.746 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.452 -6.216 -2.723 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.918 -7.663 -3.595 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.825 -7.183 -0.634 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.994 -8.093 -1.570 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.100 -9.372 -0.144 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.608 -10.001 -1.699 1.00 0.00 H new ATOM 999 N PRO A 58 -8.964 -5.542 -3.269 1.00 0.00 N ATOM 1000 CA PRO A 58 -8.116 -4.365 -3.054 1.00 0.00 C ATOM 1001 C PRO A 58 -8.372 -3.705 -1.702 1.00 0.00 C ATOM 1002 O PRO A 58 -9.151 -2.757 -1.600 1.00 0.00 O ATOM 1003 CB PRO A 58 -8.511 -3.420 -4.193 1.00 0.00 C ATOM 1004 CG PRO A 58 -9.100 -4.303 -5.239 1.00 0.00 C ATOM 1005 CD PRO A 58 -9.766 -5.428 -4.499 1.00 0.00 C ATOM 0 HA PRO A 58 -7.058 -4.625 -3.049 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.230 -2.674 -3.855 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.646 -2.879 -4.575 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.819 -3.758 -5.851 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.329 -4.680 -5.912 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.810 -5.204 -4.280 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.753 -6.353 -5.076 1.00 0.00 H new ATOM 1013 N ILE A 59 -7.710 -4.211 -0.667 1.00 0.00 N ATOM 1014 CA ILE A 59 -7.865 -3.669 0.677 1.00 0.00 C ATOM 1015 C ILE A 59 -7.333 -2.242 0.750 1.00 0.00 C ATOM 1016 O ILE A 59 -6.131 -2.022 0.893 1.00 0.00 O ATOM 1017 CB ILE A 59 -7.135 -4.540 1.720 1.00 0.00 C ATOM 1018 CG1 ILE A 59 -7.717 -5.953 1.727 1.00 0.00 C ATOM 1019 CG2 ILE A 59 -7.225 -3.922 3.108 1.00 0.00 C ATOM 1020 CD1 ILE A 59 -6.919 -6.928 2.560 1.00 0.00 C ATOM 0 H ILE A 59 -7.061 -4.995 -0.734 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.931 -3.668 0.904 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.082 -4.593 1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.739 -5.915 2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.770 -6.321 0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.702 -4.557 3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.766 -2.933 3.097 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.272 -3.833 3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.389 -7.911 2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.904 -6.995 2.169 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.887 -6.583 3.593 1.00 0.00 H new ATOM 1032 N LEU A 60 -8.240 -1.281 0.650 1.00 0.00 N ATOM 1033 CA LEU A 60 -7.872 0.129 0.703 1.00 0.00 C ATOM 1034 C LEU A 60 -7.715 0.591 2.147 1.00 0.00 C ATOM 1035 O LEU A 60 -8.687 0.642 2.901 1.00 0.00 O ATOM 1036 CB LEU A 60 -8.931 0.977 -0.011 1.00 0.00 C ATOM 1037 CG LEU A 60 -8.660 1.264 -1.493 1.00 0.00 C ATOM 1038 CD1 LEU A 60 -7.861 0.139 -2.137 1.00 0.00 C ATOM 1039 CD2 LEU A 60 -9.970 1.475 -2.237 1.00 0.00 C ATOM 0 H LEU A 60 -9.239 -1.451 0.531 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.915 0.255 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.893 0.471 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.024 1.928 0.514 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.066 2.176 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.685 0.372 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.905 0.032 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.420 -0.794 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.763 1.678 -3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.584 0.578 -2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.503 2.321 -1.802 1.00 0.00 H new ATOM 1051 N LEU A 61 -6.486 0.918 2.530 1.00 0.00 N ATOM 1052 CA LEU A 61 -6.206 1.367 3.888 1.00 0.00 C ATOM 1053 C LEU A 61 -5.534 2.736 3.892 1.00 0.00 C ATOM 1054 O LEU A 61 -4.783 3.078 2.978 1.00 0.00 O ATOM 1055 CB LEU A 61 -5.320 0.349 4.608 1.00 0.00 C ATOM 1056 CG LEU A 61 -5.878 -1.072 4.653 1.00 0.00 C ATOM 1057 CD1 LEU A 61 -4.872 -2.019 5.290 1.00 0.00 C ATOM 1058 CD2 LEU A 61 -7.198 -1.102 5.412 1.00 0.00 C ATOM 0 H LEU A 61 -5.669 0.881 1.920 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.156 1.454 4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.346 0.326 4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.155 0.691 5.630 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.062 -1.404 3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.286 -3.027 5.314 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.952 -2.018 4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.657 -1.691 6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.582 -2.122 5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.039 -0.751 6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.919 -0.454 4.914 1.00 0.00 H new ATOM 1070 N VAL A 62 -5.810 3.510 4.934 1.00 0.00 N ATOM 1071 CA VAL A 62 -5.236 4.842 5.075 1.00 0.00 C ATOM 1072 C VAL A 62 -5.059 5.202 6.546 1.00 0.00 C ATOM 1073 O VAL A 62 -5.804 4.731 7.405 1.00 0.00 O ATOM 1074 CB VAL A 62 -6.117 5.906 4.388 1.00 0.00 C ATOM 1075 CG1 VAL A 62 -7.488 5.978 5.045 1.00 0.00 C ATOM 1076 CG2 VAL A 62 -5.434 7.265 4.410 1.00 0.00 C ATOM 0 H VAL A 62 -6.430 3.237 5.696 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.260 4.829 4.589 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.256 5.613 3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.092 6.735 4.544 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.981 5.009 4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.374 6.242 6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.072 8.001 3.921 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.258 7.567 5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.482 7.202 3.883 1.00 0.00 H new ATOM 1086 N ALA A 63 -4.063 6.033 6.836 1.00 0.00 N ATOM 1087 CA ALA A 63 -3.788 6.447 8.206 1.00 0.00 C ATOM 1088 C ALA A 63 -4.999 7.130 8.832 1.00 0.00 C ATOM 1089 O ALA A 63 -5.757 7.821 8.150 1.00 0.00 O ATOM 1090 CB ALA A 63 -2.575 7.364 8.248 1.00 0.00 C ATOM 0 H ALA A 63 -3.433 6.433 6.140 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.572 5.553 8.791 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.382 7.665 9.278 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.706 6.836 7.855 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.767 8.249 7.641 1.00 0.00 H new ATOM 1096 N GLY A 64 -5.178 6.928 10.134 1.00 0.00 N ATOM 1097 CA GLY A 64 -6.301 7.525 10.832 1.00 0.00 C ATOM 1098 C GLY A 64 -7.537 6.649 10.781 1.00 0.00 C ATOM 1099 O GLY A 64 -8.038 6.208 11.815 1.00 0.00 O ATOM 0 H GLY A 64 -4.564 6.361 10.718 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.027 7.704 11.872 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.527 8.496 10.390 1.00 0.00 H new ATOM 1103 N LYS A 65 -8.024 6.397 9.572 1.00 0.00 N ATOM 1104 CA LYS A 65 -9.205 5.564 9.382 1.00 0.00 C ATOM 1105 C LYS A 65 -8.878 4.099 9.654 1.00 0.00 C ATOM 1106 O LYS A 65 -9.347 3.518 10.632 1.00 0.00 O ATOM 1107 CB LYS A 65 -9.741 5.728 7.956 1.00 0.00 C ATOM 1108 CG LYS A 65 -11.083 6.440 7.889 1.00 0.00 C ATOM 1109 CD LYS A 65 -12.231 5.456 7.732 1.00 0.00 C ATOM 1110 CE LYS A 65 -13.366 6.053 6.916 1.00 0.00 C ATOM 1111 NZ LYS A 65 -13.118 5.941 5.451 1.00 0.00 N ATOM 0 H LYS A 65 -7.619 6.758 8.708 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.971 5.884 10.088 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.014 6.285 7.365 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.838 4.744 7.498 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.229 7.029 8.795 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.084 7.138 7.052 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.871 4.549 7.247 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.601 5.167 8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.298 5.546 7.166 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.492 7.102 7.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.824 6.504 4.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.165 6.296 5.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.192 4.945 5.162 1.00 0.00 H new ATOM 1125 N ASP A 66 -8.067 3.511 8.780 1.00 0.00 N ATOM 1126 CA ASP A 66 -7.669 2.117 8.923 1.00 0.00 C ATOM 1127 C ASP A 66 -6.286 2.016 9.559 1.00 0.00 C ATOM 1128 O ASP A 66 -5.490 1.147 9.206 1.00 0.00 O ATOM 1129 CB ASP A 66 -7.677 1.421 7.559 1.00 0.00 C ATOM 1130 CG ASP A 66 -8.880 0.517 7.379 1.00 0.00 C ATOM 1131 OD1 ASP A 66 -9.214 -0.223 8.328 1.00 0.00 O ATOM 1132 OD2 ASP A 66 -9.489 0.549 6.289 1.00 0.00 O ATOM 0 H ASP A 66 -7.673 3.980 7.965 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.386 1.619 9.576 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.670 2.173 6.770 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.765 0.834 7.448 1.00 0.00 H new ATOM 1137 N ASP A 67 -6.007 2.915 10.498 1.00 0.00 N ATOM 1138 CA ASP A 67 -4.719 2.935 11.183 1.00 0.00 C ATOM 1139 C ASP A 67 -4.435 1.600 11.869 1.00 0.00 C ATOM 1140 O ASP A 67 -3.284 1.274 12.157 1.00 0.00 O ATOM 1141 CB ASP A 67 -4.683 4.068 12.212 1.00 0.00 C ATOM 1142 CG ASP A 67 -3.351 4.791 12.228 1.00 0.00 C ATOM 1143 OD1 ASP A 67 -3.124 5.640 11.340 1.00 0.00 O ATOM 1144 OD2 ASP A 67 -2.533 4.509 13.130 1.00 0.00 O ATOM 0 H ASP A 67 -6.657 3.640 10.802 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.945 3.105 10.434 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.478 4.781 11.992 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.885 3.662 13.203 1.00 0.00 H new ATOM 1149 N MET A 68 -5.488 0.830 12.130 1.00 0.00 N ATOM 1150 CA MET A 68 -5.342 -0.466 12.782 1.00 0.00 C ATOM 1151 C MET A 68 -4.955 -1.537 11.769 1.00 0.00 C ATOM 1152 O MET A 68 -4.241 -2.486 12.095 1.00 0.00 O ATOM 1153 CB MET A 68 -6.643 -0.856 13.485 1.00 0.00 C ATOM 1154 CG MET A 68 -6.855 -0.144 14.812 1.00 0.00 C ATOM 1155 SD MET A 68 -7.002 1.643 14.625 1.00 0.00 S ATOM 1156 CE MET A 68 -8.486 1.759 13.630 1.00 0.00 C ATOM 0 H MET A 68 -6.449 1.081 11.900 1.00 0.00 H new ATOM 0 HA MET A 68 -4.548 -0.388 13.525 1.00 0.00 H new ATOM 0 HB2 MET A 68 -7.483 -0.636 12.826 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.646 -1.933 13.655 1.00 0.00 H new ATOM 0 HG2 MET A 68 -7.756 -0.531 15.288 1.00 0.00 H new ATOM 0 HG3 MET A 68 -6.022 -0.368 15.478 1.00 0.00 H new ATOM 0 HE1 MET A 68 -9.118 2.561 14.012 1.00 0.00 H new ATOM 0 HE2 MET A 68 -8.215 1.971 12.596 1.00 0.00 H new ATOM 0 HE3 MET A 68 -9.030 0.815 13.676 1.00 0.00 H new ATOM 1166 N GLU A 69 -5.428 -1.376 10.537 1.00 0.00 N ATOM 1167 CA GLU A 69 -5.127 -2.326 9.475 1.00 0.00 C ATOM 1168 C GLU A 69 -3.789 -1.998 8.821 1.00 0.00 C ATOM 1169 O GLU A 69 -2.973 -2.885 8.570 1.00 0.00 O ATOM 1170 CB GLU A 69 -6.239 -2.320 8.424 1.00 0.00 C ATOM 1171 CG GLU A 69 -7.405 -3.233 8.765 1.00 0.00 C ATOM 1172 CD GLU A 69 -7.354 -4.549 8.015 1.00 0.00 C ATOM 1173 OE1 GLU A 69 -6.583 -5.440 8.430 1.00 0.00 O ATOM 1174 OE2 GLU A 69 -8.086 -4.689 7.012 1.00 0.00 O ATOM 0 H GLU A 69 -6.021 -0.597 10.251 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.063 -3.321 9.916 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.609 -1.302 8.305 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.821 -2.622 7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.406 -3.430 9.837 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.340 -2.723 8.534 1.00 0.00 H new ATOM 1181 N MET A 70 -3.569 -0.714 8.556 1.00 0.00 N ATOM 1182 CA MET A 70 -2.327 -0.256 7.939 1.00 0.00 C ATOM 1183 C MET A 70 -1.121 -0.711 8.757 1.00 0.00 C ATOM 1184 O MET A 70 -1.259 -1.097 9.918 1.00 0.00 O ATOM 1185 CB MET A 70 -2.338 1.271 7.818 1.00 0.00 C ATOM 1186 CG MET A 70 -1.011 1.865 7.372 1.00 0.00 C ATOM 1187 SD MET A 70 -1.099 3.650 7.132 1.00 0.00 S ATOM 1188 CE MET A 70 -2.124 3.744 5.666 1.00 0.00 C ATOM 0 H MET A 70 -4.236 0.030 8.759 1.00 0.00 H new ATOM 0 HA MET A 70 -2.250 -0.692 6.943 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.112 1.564 7.109 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.611 1.700 8.782 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.247 1.639 8.116 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.699 1.391 6.441 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.388 4.784 5.473 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.576 3.344 4.813 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.033 3.162 5.819 1.00 0.00 H new ATOM 1198 N CYS A 71 0.060 -0.663 8.148 1.00 0.00 N ATOM 1199 CA CYS A 71 1.282 -1.072 8.829 1.00 0.00 C ATOM 1200 C CYS A 71 1.466 -0.292 10.129 1.00 0.00 C ATOM 1201 O CYS A 71 1.548 0.936 10.120 1.00 0.00 O ATOM 1202 CB CYS A 71 2.497 -0.863 7.927 1.00 0.00 C ATOM 1203 SG CYS A 71 3.756 -2.150 8.099 1.00 0.00 S ATOM 0 H CYS A 71 0.196 -0.346 7.188 1.00 0.00 H new ATOM 0 HA CYS A 71 1.194 -2.132 9.065 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.166 -0.826 6.889 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.945 0.105 8.153 1.00 0.00 H new ATOM 0 HG CYS A 71 3.866 -2.802 6.979 1.00 0.00 H new ATOM 1209 N GLU A 72 1.528 -1.012 11.245 1.00 0.00 N ATOM 1210 CA GLU A 72 1.700 -0.379 12.548 1.00 0.00 C ATOM 1211 C GLU A 72 3.181 -0.191 12.886 1.00 0.00 C ATOM 1212 O GLU A 72 3.524 0.193 14.004 1.00 0.00 O ATOM 1213 CB GLU A 72 1.019 -1.214 13.635 1.00 0.00 C ATOM 1214 CG GLU A 72 -0.413 -0.786 13.919 1.00 0.00 C ATOM 1215 CD GLU A 72 -0.894 -1.233 15.285 1.00 0.00 C ATOM 1216 OE1 GLU A 72 -0.363 -0.726 16.297 1.00 0.00 O ATOM 1217 OE2 GLU A 72 -1.803 -2.089 15.345 1.00 0.00 O ATOM 0 H GLU A 72 1.462 -2.029 11.274 1.00 0.00 H new ATOM 0 HA GLU A 72 1.235 0.606 12.505 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.024 -2.262 13.334 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.600 -1.143 14.554 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.485 0.299 13.850 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.070 -1.198 13.153 1.00 0.00 H new ATOM 1224 N LYS A 73 4.053 -0.458 11.917 1.00 0.00 N ATOM 1225 CA LYS A 73 5.490 -0.314 12.118 1.00 0.00 C ATOM 1226 C LYS A 73 6.066 0.746 11.186 1.00 0.00 C ATOM 1227 O LYS A 73 5.620 0.888 10.048 1.00 0.00 O ATOM 1228 CB LYS A 73 6.192 -1.651 11.881 1.00 0.00 C ATOM 1229 CG LYS A 73 5.751 -2.748 12.834 1.00 0.00 C ATOM 1230 CD LYS A 73 4.479 -3.431 12.353 1.00 0.00 C ATOM 1231 CE LYS A 73 4.758 -4.841 11.855 1.00 0.00 C ATOM 1232 NZ LYS A 73 5.578 -4.841 10.613 1.00 0.00 N ATOM 0 H LYS A 73 3.788 -0.775 10.985 1.00 0.00 H new ATOM 0 HA LYS A 73 5.659 0.003 13.147 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.004 -1.974 10.857 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.268 -1.509 11.978 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.546 -3.487 12.932 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.585 -2.325 13.825 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.755 -3.468 13.167 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.030 -2.843 11.552 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.276 -5.404 12.631 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.814 -5.352 11.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.745 -5.821 10.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.073 -4.326 9.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.490 -4.376 10.799 1.00 0.00 H new ATOM 1246 N ASN A 74 7.059 1.484 11.671 1.00 0.00 N ATOM 1247 CA ASN A 74 7.693 2.527 10.871 1.00 0.00 C ATOM 1248 C ASN A 74 8.428 1.920 9.680 1.00 0.00 C ATOM 1249 O ASN A 74 8.377 0.710 9.461 1.00 0.00 O ATOM 1250 CB ASN A 74 8.663 3.346 11.727 1.00 0.00 C ATOM 1251 CG ASN A 74 7.955 4.131 12.818 1.00 0.00 C ATOM 1252 OD1 ASN A 74 7.450 3.556 13.782 1.00 0.00 O ATOM 1253 ND2 ASN A 74 7.911 5.453 12.671 1.00 0.00 N ATOM 0 H ASN A 74 7.442 1.380 12.611 1.00 0.00 H new ATOM 0 HA ASN A 74 6.912 3.189 10.497 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.395 2.678 12.181 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.214 4.035 11.087 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.446 6.029 13.373 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.342 5.890 11.857 1.00 0.00 H new ATOM 1260 N LEU A 75 9.106 2.766 8.912 1.00 0.00 N ATOM 1261 CA LEU A 75 9.845 2.312 7.738 1.00 0.00 C ATOM 1262 C LEU A 75 11.002 1.395 8.128 1.00 0.00 C ATOM 1263 O LEU A 75 11.230 0.364 7.495 1.00 0.00 O ATOM 1264 CB LEU A 75 10.378 3.512 6.953 1.00 0.00 C ATOM 1265 CG LEU A 75 10.987 3.175 5.591 1.00 0.00 C ATOM 1266 CD1 LEU A 75 9.907 2.706 4.628 1.00 0.00 C ATOM 1267 CD2 LEU A 75 11.722 4.380 5.024 1.00 0.00 C ATOM 0 H LEU A 75 9.160 3.770 9.081 1.00 0.00 H new ATOM 0 HA LEU A 75 9.157 1.744 7.111 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.563 4.221 6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.133 4.016 7.557 1.00 0.00 H new ATOM 0 HG LEU A 75 11.705 2.366 5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.357 2.470 3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.423 1.816 5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.166 3.495 4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.149 4.123 4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.024 5.209 4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.520 4.673 5.706 1.00 0.00 H new ATOM 1279 N GLU A 76 11.733 1.781 9.166 1.00 0.00 N ATOM 1280 CA GLU A 76 12.873 0.996 9.636 1.00 0.00 C ATOM 1281 C GLU A 76 12.412 -0.301 10.293 1.00 0.00 C ATOM 1282 O GLU A 76 13.105 -1.316 10.242 1.00 0.00 O ATOM 1283 CB GLU A 76 13.715 1.803 10.630 1.00 0.00 C ATOM 1284 CG GLU A 76 13.691 3.303 10.386 1.00 0.00 C ATOM 1285 CD GLU A 76 15.060 3.940 10.522 1.00 0.00 C ATOM 1286 OE1 GLU A 76 15.999 3.480 9.842 1.00 0.00 O ATOM 1287 OE2 GLU A 76 15.190 4.902 11.308 1.00 0.00 O ATOM 0 H GLU A 76 11.559 2.632 9.700 1.00 0.00 H new ATOM 0 HA GLU A 76 13.484 0.751 8.767 1.00 0.00 H new ATOM 0 HB2 GLU A 76 13.356 1.604 11.640 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.747 1.454 10.584 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.302 3.498 9.387 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.005 3.771 11.092 1.00 0.00 H new ATOM 1294 N GLU A 77 11.242 -0.254 10.921 1.00 0.00 N ATOM 1295 CA GLU A 77 10.695 -1.422 11.604 1.00 0.00 C ATOM 1296 C GLU A 77 9.888 -2.304 10.654 1.00 0.00 C ATOM 1297 O GLU A 77 9.753 -3.507 10.881 1.00 0.00 O ATOM 1298 CB GLU A 77 9.816 -0.981 12.775 1.00 0.00 C ATOM 1299 CG GLU A 77 9.388 -2.125 13.680 1.00 0.00 C ATOM 1300 CD GLU A 77 9.413 -1.748 15.148 1.00 0.00 C ATOM 1301 OE1 GLU A 77 10.514 -1.478 15.673 1.00 0.00 O ATOM 1302 OE2 GLU A 77 8.332 -1.723 15.773 1.00 0.00 O ATOM 0 H GLU A 77 10.655 0.578 10.972 1.00 0.00 H new ATOM 0 HA GLU A 77 11.533 -2.010 11.977 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.358 -0.244 13.367 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.927 -0.486 12.385 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.381 -2.442 13.407 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.046 -2.978 13.517 1.00 0.00 H new ATOM 1309 N THR A 78 9.347 -1.709 9.597 1.00 0.00 N ATOM 1310 CA THR A 78 8.552 -2.454 8.627 1.00 0.00 C ATOM 1311 C THR A 78 9.365 -3.585 8.003 1.00 0.00 C ATOM 1312 O THR A 78 9.193 -4.752 8.354 1.00 0.00 O ATOM 1313 CB THR A 78 8.024 -1.524 7.537 1.00 0.00 C ATOM 1314 OG1 THR A 78 8.910 -0.439 7.329 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.661 -0.948 7.853 1.00 0.00 C ATOM 0 H THR A 78 9.444 -0.715 9.390 1.00 0.00 H new ATOM 0 HA THR A 78 7.706 -2.892 9.156 1.00 0.00 H new ATOM 0 HB THR A 78 7.943 -2.143 6.644 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.830 -0.729 7.504 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.344 -0.296 7.039 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.942 -1.759 7.970 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.714 -0.374 8.778 1.00 0.00 H new ATOM 1323 N GLY A 79 10.252 -3.233 7.078 1.00 0.00 N ATOM 1324 CA GLY A 79 11.076 -4.237 6.426 1.00 0.00 C ATOM 1325 C GLY A 79 11.264 -3.978 4.944 1.00 0.00 C ATOM 1326 O GLY A 79 12.223 -4.462 4.341 1.00 0.00 O ATOM 0 H GLY A 79 10.415 -2.275 6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.052 -4.268 6.910 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.620 -5.218 6.563 1.00 0.00 H new ATOM 1330 N LEU A 80 10.349 -3.214 4.347 1.00 0.00 N ATOM 1331 CA LEU A 80 10.427 -2.899 2.922 1.00 0.00 C ATOM 1332 C LEU A 80 11.822 -2.412 2.548 1.00 0.00 C ATOM 1333 O LEU A 80 12.373 -2.802 1.517 1.00 0.00 O ATOM 1334 CB LEU A 80 9.394 -1.831 2.556 1.00 0.00 C ATOM 1335 CG LEU A 80 7.957 -2.150 2.977 1.00 0.00 C ATOM 1336 CD1 LEU A 80 7.354 -0.985 3.750 1.00 0.00 C ATOM 1337 CD2 LEU A 80 7.104 -2.487 1.762 1.00 0.00 C ATOM 0 H LEU A 80 9.548 -2.803 4.827 1.00 0.00 H new ATOM 0 HA LEU A 80 10.215 -3.811 2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.690 -0.888 3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.416 -1.681 1.477 1.00 0.00 H new ATOM 0 HG LEU A 80 7.978 -3.021 3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.333 -1.231 4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.949 -0.794 4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.348 -0.095 3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.086 -2.711 2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.091 -1.637 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.523 -3.355 1.253 1.00 0.00 H new ATOM 1349 N THR A 81 12.388 -1.558 3.392 1.00 0.00 N ATOM 1350 CA THR A 81 13.720 -1.016 3.156 1.00 0.00 C ATOM 1351 C THR A 81 14.784 -2.086 3.374 1.00 0.00 C ATOM 1352 O THR A 81 15.805 -2.109 2.686 1.00 0.00 O ATOM 1353 CB THR A 81 13.980 0.178 4.075 1.00 0.00 C ATOM 1354 OG1 THR A 81 13.782 -0.177 5.432 1.00 0.00 O ATOM 1355 CG2 THR A 81 13.092 1.366 3.774 1.00 0.00 C ATOM 0 H THR A 81 11.944 -1.225 4.248 1.00 0.00 H new ATOM 0 HA THR A 81 13.773 -0.681 2.120 1.00 0.00 H new ATOM 0 HB THR A 81 15.016 0.463 3.892 1.00 0.00 H new ATOM 0 HG1 THR A 81 13.955 0.601 6.002 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.327 2.179 4.461 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.261 1.696 2.749 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.047 1.079 3.895 1.00 0.00 H new ATOM 1363 N ARG A 82 14.537 -2.973 4.331 1.00 0.00 N ATOM 1364 CA ARG A 82 15.473 -4.050 4.633 1.00 0.00 C ATOM 1365 C ARG A 82 15.700 -4.924 3.404 1.00 0.00 C ATOM 1366 O ARG A 82 16.794 -5.447 3.193 1.00 0.00 O ATOM 1367 CB ARG A 82 14.948 -4.904 5.790 1.00 0.00 C ATOM 1368 CG ARG A 82 14.638 -4.104 7.044 1.00 0.00 C ATOM 1369 CD ARG A 82 15.874 -3.930 7.913 1.00 0.00 C ATOM 1370 NE ARG A 82 15.704 -2.866 8.899 1.00 0.00 N ATOM 1371 CZ ARG A 82 16.436 -2.756 10.005 1.00 0.00 C ATOM 1372 NH1 ARG A 82 17.389 -3.641 10.272 1.00 0.00 N ATOM 1373 NH2 ARG A 82 16.214 -1.757 10.848 1.00 0.00 N ATOM 0 H ARG A 82 13.698 -2.968 4.911 1.00 0.00 H new ATOM 0 HA ARG A 82 16.423 -3.604 4.925 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.045 -5.423 5.467 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.686 -5.669 6.030 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.247 -3.125 6.765 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.858 -4.608 7.615 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.092 -4.867 8.425 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.733 -3.705 7.281 1.00 0.00 H new ATOM 0 HE ARG A 82 14.982 -2.166 8.730 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.564 -4.412 9.627 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.946 -3.550 11.122 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.483 -1.074 10.648 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.774 -1.671 11.696 1.00 0.00 H new ATOM 1387 N LYS A 83 14.656 -5.071 2.595 1.00 0.00 N ATOM 1388 CA LYS A 83 14.736 -5.875 1.381 1.00 0.00 C ATOM 1389 C LYS A 83 15.730 -5.273 0.394 1.00 0.00 C ATOM 1390 O LYS A 83 16.333 -4.235 0.661 1.00 0.00 O ATOM 1391 CB LYS A 83 13.356 -5.980 0.727 1.00 0.00 C ATOM 1392 CG LYS A 83 12.528 -7.149 1.234 1.00 0.00 C ATOM 1393 CD LYS A 83 11.503 -6.703 2.263 1.00 0.00 C ATOM 1394 CE LYS A 83 10.437 -7.765 2.484 1.00 0.00 C ATOM 1395 NZ LYS A 83 10.944 -8.900 3.303 1.00 0.00 N ATOM 0 H LYS A 83 13.744 -4.644 2.758 1.00 0.00 H new ATOM 0 HA LYS A 83 15.082 -6.871 1.656 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.808 -5.054 0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.481 -6.075 -0.352 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.020 -7.626 0.396 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.186 -7.897 1.676 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.004 -6.487 3.207 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.033 -5.777 1.932 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.575 -7.317 2.979 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.092 -8.139 1.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.187 -9.602 3.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.750 -9.344 2.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.250 -8.548 4.233 1.00 0.00 H new ATOM 1409 N ARG A 84 15.890 -5.929 -0.751 1.00 0.00 N ATOM 1410 CA ARG A 84 16.805 -5.454 -1.782 1.00 0.00 C ATOM 1411 C ARG A 84 16.065 -4.594 -2.800 1.00 0.00 C ATOM 1412 O ARG A 84 15.816 -5.024 -3.927 1.00 0.00 O ATOM 1413 CB ARG A 84 17.479 -6.636 -2.480 1.00 0.00 C ATOM 1414 CG ARG A 84 18.894 -6.904 -1.994 1.00 0.00 C ATOM 1415 CD ARG A 84 18.920 -7.253 -0.516 1.00 0.00 C ATOM 1416 NE ARG A 84 18.389 -8.592 -0.259 1.00 0.00 N ATOM 1417 CZ ARG A 84 17.984 -9.012 0.937 1.00 0.00 C ATOM 1418 NH1 ARG A 84 18.045 -8.203 1.988 1.00 0.00 N ATOM 1419 NH2 ARG A 84 17.515 -10.243 1.083 1.00 0.00 N ATOM 0 H ARG A 84 15.398 -6.791 -0.988 1.00 0.00 H new ATOM 0 HA ARG A 84 17.572 -4.844 -1.306 1.00 0.00 H new ATOM 0 HB2 ARG A 84 16.875 -7.530 -2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 84 17.502 -6.448 -3.553 1.00 0.00 H new ATOM 0 HG2 ARG A 84 19.328 -7.722 -2.569 1.00 0.00 H new ATOM 0 HG3 ARG A 84 19.513 -6.025 -2.172 1.00 0.00 H new ATOM 0 HD2 ARG A 84 19.944 -7.192 -0.147 1.00 0.00 H new ATOM 0 HD3 ARG A 84 18.337 -6.519 0.040 1.00 0.00 H new ATOM 0 HE ARG A 84 18.326 -9.242 -1.043 1.00 0.00 H new ATOM 0 HH11 ARG A 84 18.404 -7.254 1.881 1.00 0.00 H new ATOM 0 HH12 ARG A 84 17.733 -8.530 2.902 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.465 -10.868 0.279 1.00 0.00 H new ATOM 0 HH22 ARG A 84 17.205 -10.565 2.000 1.00 0.00 H new ATOM 1433 N GLY A 85 15.710 -3.380 -2.395 1.00 0.00 N ATOM 1434 CA GLY A 85 14.998 -2.481 -3.281 1.00 0.00 C ATOM 1435 C GLY A 85 13.523 -2.819 -3.377 1.00 0.00 C ATOM 1436 O GLY A 85 13.040 -3.235 -4.430 1.00 0.00 O ATOM 0 H GLY A 85 15.903 -3.003 -1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 85 15.112 -1.457 -2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.444 -2.524 -4.275 1.00 0.00 H new ATOM 1440 N ALA A 86 12.805 -2.644 -2.270 1.00 0.00 N ATOM 1441 CA ALA A 86 11.377 -2.937 -2.231 1.00 0.00 C ATOM 1442 C ALA A 86 10.542 -1.695 -2.532 1.00 0.00 C ATOM 1443 O ALA A 86 9.388 -1.600 -2.120 1.00 0.00 O ATOM 1444 CB ALA A 86 10.998 -3.511 -0.875 1.00 0.00 C ATOM 0 H ALA A 86 13.189 -2.301 -1.390 1.00 0.00 H new ATOM 0 HA ALA A 86 11.165 -3.675 -3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.930 -3.726 -0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.556 -4.431 -0.700 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.236 -2.788 -0.095 1.00 0.00 H new ATOM 1450 N GLU A 87 11.130 -0.745 -3.253 1.00 0.00 N ATOM 1451 CA GLU A 87 10.433 0.486 -3.605 1.00 0.00 C ATOM 1452 C GLU A 87 9.513 0.267 -4.803 1.00 0.00 C ATOM 1453 O GLU A 87 9.589 -0.760 -5.476 1.00 0.00 O ATOM 1454 CB GLU A 87 11.437 1.598 -3.910 1.00 0.00 C ATOM 1455 CG GLU A 87 12.023 2.243 -2.664 1.00 0.00 C ATOM 1456 CD GLU A 87 12.747 3.540 -2.966 1.00 0.00 C ATOM 1457 OE1 GLU A 87 12.488 4.130 -4.035 1.00 0.00 O ATOM 1458 OE2 GLU A 87 13.573 3.967 -2.131 1.00 0.00 O ATOM 0 H GLU A 87 12.086 -0.804 -3.604 1.00 0.00 H new ATOM 0 HA GLU A 87 9.823 0.785 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.247 1.190 -4.514 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.947 2.365 -4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.224 2.435 -1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.715 1.547 -2.190 1.00 0.00 H new ATOM 1465 N ILE A 88 8.643 1.238 -5.060 1.00 0.00 N ATOM 1466 CA ILE A 88 7.705 1.149 -6.175 1.00 0.00 C ATOM 1467 C ILE A 88 7.402 2.533 -6.742 1.00 0.00 C ATOM 1468 O ILE A 88 7.598 3.549 -6.077 1.00 0.00 O ATOM 1469 CB ILE A 88 6.389 0.454 -5.749 1.00 0.00 C ATOM 1470 CG1 ILE A 88 5.271 0.682 -6.774 1.00 0.00 C ATOM 1471 CG2 ILE A 88 5.951 0.934 -4.374 1.00 0.00 C ATOM 1472 CD1 ILE A 88 3.971 -0.004 -6.412 1.00 0.00 C ATOM 0 H ILE A 88 8.567 2.095 -4.512 1.00 0.00 H new ATOM 0 HA ILE A 88 8.177 0.546 -6.951 1.00 0.00 H new ATOM 0 HB ILE A 88 6.585 -0.617 -5.703 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.092 1.753 -6.873 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.603 0.323 -7.748 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.024 0.434 -4.092 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.726 0.701 -3.643 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.789 2.012 -4.399 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.226 0.200 -7.181 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.134 -1.079 -6.342 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.616 0.373 -5.453 1.00 0.00 H new ATOM 1484 N LEU A 89 6.920 2.555 -7.978 1.00 0.00 N ATOM 1485 CA LEU A 89 6.583 3.807 -8.648 1.00 0.00 C ATOM 1486 C LEU A 89 5.237 4.339 -8.162 1.00 0.00 C ATOM 1487 O LEU A 89 4.326 3.566 -7.866 1.00 0.00 O ATOM 1488 CB LEU A 89 6.545 3.604 -10.164 1.00 0.00 C ATOM 1489 CG LEU A 89 7.854 3.119 -10.787 1.00 0.00 C ATOM 1490 CD1 LEU A 89 7.907 1.599 -10.801 1.00 0.00 C ATOM 1491 CD2 LEU A 89 8.010 3.673 -12.194 1.00 0.00 C ATOM 0 H LEU A 89 6.753 1.719 -8.539 1.00 0.00 H new ATOM 0 HA LEU A 89 7.353 4.539 -8.405 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.761 2.885 -10.399 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.264 4.547 -10.634 1.00 0.00 H new ATOM 0 HG LEU A 89 8.682 3.485 -10.180 1.00 0.00 H new ATOM 0 HD11 LEU A 89 8.846 1.272 -11.248 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.841 1.223 -9.780 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.072 1.211 -11.385 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.947 3.318 -12.623 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.178 3.336 -12.812 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.017 4.762 -12.157 1.00 0.00 H new ATOM 1503 N PRO A 90 5.092 5.672 -8.071 1.00 0.00 N ATOM 1504 CA PRO A 90 3.849 6.302 -7.617 1.00 0.00 C ATOM 1505 C PRO A 90 2.723 6.171 -8.638 1.00 0.00 C ATOM 1506 O PRO A 90 1.545 6.239 -8.288 1.00 0.00 O ATOM 1507 CB PRO A 90 4.240 7.770 -7.439 1.00 0.00 C ATOM 1508 CG PRO A 90 5.380 7.973 -8.373 1.00 0.00 C ATOM 1509 CD PRO A 90 6.129 6.668 -8.404 1.00 0.00 C ATOM 0 HA PRO A 90 3.465 5.835 -6.710 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.409 8.433 -7.679 1.00 0.00 H new ATOM 0 HB3 PRO A 90 4.529 7.981 -6.409 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.026 8.243 -9.368 1.00 0.00 H new ATOM 0 HG3 PRO A 90 6.024 8.784 -8.033 1.00 0.00 H new ATOM 0 HD2 PRO A 90 6.568 6.479 -9.384 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.945 6.656 -7.682 1.00 0.00 H new ATOM 1517 N ARG A 91 3.091 5.988 -9.902 1.00 0.00 N ATOM 1518 CA ARG A 91 2.109 5.851 -10.971 1.00 0.00 C ATOM 1519 C ARG A 91 1.363 4.521 -10.864 1.00 0.00 C ATOM 1520 O ARG A 91 0.151 4.462 -11.075 1.00 0.00 O ATOM 1521 CB ARG A 91 2.792 5.989 -12.339 1.00 0.00 C ATOM 1522 CG ARG A 91 3.347 4.688 -12.900 1.00 0.00 C ATOM 1523 CD ARG A 91 2.263 3.886 -13.597 1.00 0.00 C ATOM 1524 NE ARG A 91 2.781 3.136 -14.738 1.00 0.00 N ATOM 1525 CZ ARG A 91 3.287 3.702 -15.831 1.00 0.00 C ATOM 1526 NH1 ARG A 91 3.341 5.025 -15.937 1.00 0.00 N ATOM 1527 NH2 ARG A 91 3.738 2.947 -16.822 1.00 0.00 N ATOM 0 H ARG A 91 4.062 5.931 -10.211 1.00 0.00 H new ATOM 0 HA ARG A 91 1.375 6.650 -10.869 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.075 6.400 -13.050 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.605 6.710 -12.254 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.151 4.905 -13.603 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.780 4.096 -12.093 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.810 3.196 -12.886 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.475 4.559 -13.934 1.00 0.00 H new ATOM 0 HE ARG A 91 2.753 2.117 -14.695 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.994 5.612 -15.179 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.730 5.454 -16.777 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.698 1.931 -16.748 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.126 3.382 -17.659 1.00 0.00 H new ATOM 1541 N GLN A 92 2.092 3.460 -10.534 1.00 0.00 N ATOM 1542 CA GLN A 92 1.495 2.135 -10.399 1.00 0.00 C ATOM 1543 C GLN A 92 0.580 2.074 -9.182 1.00 0.00 C ATOM 1544 O GLN A 92 -0.541 1.570 -9.258 1.00 0.00 O ATOM 1545 CB GLN A 92 2.587 1.071 -10.286 1.00 0.00 C ATOM 1546 CG GLN A 92 3.409 0.903 -11.554 1.00 0.00 C ATOM 1547 CD GLN A 92 3.661 -0.551 -11.899 1.00 0.00 C ATOM 1548 OE1 GLN A 92 4.725 -1.097 -11.604 1.00 0.00 O ATOM 1549 NE2 GLN A 92 2.681 -1.187 -12.529 1.00 0.00 N ATOM 0 H GLN A 92 3.096 3.491 -10.355 1.00 0.00 H new ATOM 0 HA GLN A 92 0.898 1.939 -11.290 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.253 1.332 -9.464 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.127 0.116 -10.032 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.892 1.385 -12.384 1.00 0.00 H new ATOM 0 HG3 GLN A 92 4.364 1.414 -11.433 1.00 0.00 H new ATOM 0 HE21 GLN A 92 1.816 -0.696 -12.754 1.00 0.00 H new ATOM 0 HE22 GLN A 92 2.793 -2.167 -12.788 1.00 0.00 H new ATOM 1558 N PHE A 93 1.066 2.597 -8.061 1.00 0.00 N ATOM 1559 CA PHE A 93 0.296 2.609 -6.823 1.00 0.00 C ATOM 1560 C PHE A 93 -1.044 3.301 -7.032 1.00 0.00 C ATOM 1561 O PHE A 93 -2.098 2.741 -6.726 1.00 0.00 O ATOM 1562 CB PHE A 93 1.079 3.316 -5.716 1.00 0.00 C ATOM 1563 CG PHE A 93 0.469 3.154 -4.353 1.00 0.00 C ATOM 1564 CD1 PHE A 93 -0.745 3.750 -4.048 1.00 0.00 C ATOM 1565 CD2 PHE A 93 1.109 2.406 -3.380 1.00 0.00 C ATOM 1566 CE1 PHE A 93 -1.308 3.599 -2.795 1.00 0.00 C ATOM 1567 CE2 PHE A 93 0.551 2.253 -2.126 1.00 0.00 C ATOM 1568 CZ PHE A 93 -0.659 2.851 -1.833 1.00 0.00 C ATOM 0 H PHE A 93 1.992 3.019 -7.985 1.00 0.00 H new ATOM 0 HA PHE A 93 0.114 1.577 -6.525 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.098 2.928 -5.698 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.146 4.378 -5.951 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.255 4.338 -4.797 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.056 1.937 -3.604 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -2.255 4.066 -2.568 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.060 1.667 -1.375 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.097 2.734 -0.853 1.00 0.00 H new ATOM 1578 N GLU A 94 -0.997 4.518 -7.561 1.00 0.00 N ATOM 1579 CA GLU A 94 -2.210 5.282 -7.817 1.00 0.00 C ATOM 1580 C GLU A 94 -3.025 4.640 -8.936 1.00 0.00 C ATOM 1581 O GLU A 94 -4.238 4.831 -9.019 1.00 0.00 O ATOM 1582 CB GLU A 94 -1.867 6.731 -8.169 1.00 0.00 C ATOM 1583 CG GLU A 94 -2.389 7.735 -7.152 1.00 0.00 C ATOM 1584 CD GLU A 94 -1.288 8.313 -6.285 1.00 0.00 C ATOM 1585 OE1 GLU A 94 -0.141 8.413 -6.767 1.00 0.00 O ATOM 1586 OE2 GLU A 94 -1.574 8.665 -5.120 1.00 0.00 O ATOM 0 H GLU A 94 -0.134 4.995 -7.820 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.813 5.280 -6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.785 6.832 -8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.281 6.968 -9.149 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.898 8.545 -7.675 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.130 7.251 -6.516 1.00 0.00 H new ATOM 1593 N GLU A 95 -2.357 3.863 -9.788 1.00 0.00 N ATOM 1594 CA GLU A 95 -3.035 3.183 -10.883 1.00 0.00 C ATOM 1595 C GLU A 95 -4.094 2.248 -10.323 1.00 0.00 C ATOM 1596 O GLU A 95 -5.254 2.277 -10.735 1.00 0.00 O ATOM 1597 CB GLU A 95 -2.030 2.394 -11.726 1.00 0.00 C ATOM 1598 CG GLU A 95 -2.106 2.708 -13.212 1.00 0.00 C ATOM 1599 CD GLU A 95 -3.290 2.045 -13.888 1.00 0.00 C ATOM 1600 OE1 GLU A 95 -4.392 2.633 -13.865 1.00 0.00 O ATOM 1601 OE2 GLU A 95 -3.115 0.940 -14.442 1.00 0.00 O ATOM 0 H GLU A 95 -1.353 3.691 -9.739 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.512 3.927 -11.521 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.022 2.606 -11.369 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.202 1.328 -11.579 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.172 3.787 -13.349 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.186 2.381 -13.696 1.00 0.00 H new ATOM 1608 N ILE A 96 -3.681 1.431 -9.363 1.00 0.00 N ATOM 1609 CA ILE A 96 -4.583 0.494 -8.718 1.00 0.00 C ATOM 1610 C ILE A 96 -5.512 1.226 -7.761 1.00 0.00 C ATOM 1611 O ILE A 96 -6.683 0.872 -7.619 1.00 0.00 O ATOM 1612 CB ILE A 96 -3.801 -0.577 -7.946 1.00 0.00 C ATOM 1613 CG1 ILE A 96 -2.668 -1.130 -8.814 1.00 0.00 C ATOM 1614 CG2 ILE A 96 -4.729 -1.693 -7.493 1.00 0.00 C ATOM 1615 CD1 ILE A 96 -3.120 -1.579 -10.189 1.00 0.00 C ATOM 0 H ILE A 96 -2.723 1.401 -9.015 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.172 0.009 -9.496 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.364 -0.120 -7.058 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.900 -0.364 -8.925 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.206 -1.973 -8.300 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.157 -2.443 -6.947 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.502 -1.282 -6.843 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.195 -2.155 -8.364 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.264 -1.959 -10.747 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.866 -2.367 -10.087 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.555 -0.734 -10.723 1.00 0.00 H new ATOM 1627 N TRP A 97 -4.983 2.265 -7.120 1.00 0.00 N ATOM 1628 CA TRP A 97 -5.763 3.068 -6.185 1.00 0.00 C ATOM 1629 C TRP A 97 -7.044 3.548 -6.855 1.00 0.00 C ATOM 1630 O TRP A 97 -8.114 3.555 -6.247 1.00 0.00 O ATOM 1631 CB TRP A 97 -4.938 4.268 -5.710 1.00 0.00 C ATOM 1632 CG TRP A 97 -5.377 4.810 -4.383 1.00 0.00 C ATOM 1633 CD1 TRP A 97 -5.745 6.096 -4.106 1.00 0.00 C ATOM 1634 CD2 TRP A 97 -5.486 4.086 -3.154 1.00 0.00 C ATOM 1635 NE1 TRP A 97 -6.081 6.214 -2.779 1.00 0.00 N ATOM 1636 CE2 TRP A 97 -5.930 4.994 -2.172 1.00 0.00 C ATOM 1637 CE3 TRP A 97 -5.254 2.756 -2.787 1.00 0.00 C ATOM 1638 CZ2 TRP A 97 -6.145 4.613 -0.848 1.00 0.00 C ATOM 1639 CZ3 TRP A 97 -5.468 2.381 -1.475 1.00 0.00 C ATOM 1640 CH2 TRP A 97 -5.909 3.303 -0.519 1.00 0.00 C ATOM 0 H TRP A 97 -4.016 2.570 -7.232 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.023 2.455 -5.322 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.890 3.975 -5.645 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -5.002 5.060 -6.456 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.768 6.902 -4.825 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -6.392 7.070 -2.320 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.914 2.036 -3.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -6.485 5.323 -0.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.292 1.357 -1.181 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -6.067 2.976 0.498 1.00 0.00 H new ATOM 1651 N GLU A 98 -6.923 3.934 -8.120 1.00 0.00 N ATOM 1652 CA GLU A 98 -8.063 4.401 -8.894 1.00 0.00 C ATOM 1653 C GLU A 98 -8.803 3.228 -9.527 1.00 0.00 C ATOM 1654 O GLU A 98 -10.003 3.305 -9.790 1.00 0.00 O ATOM 1655 CB GLU A 98 -7.604 5.377 -9.979 1.00 0.00 C ATOM 1656 CG GLU A 98 -8.653 6.413 -10.351 1.00 0.00 C ATOM 1657 CD GLU A 98 -8.057 7.625 -11.037 1.00 0.00 C ATOM 1658 OE1 GLU A 98 -7.750 7.533 -12.246 1.00 0.00 O ATOM 1659 OE2 GLU A 98 -7.897 8.668 -10.369 1.00 0.00 O ATOM 0 H GLU A 98 -6.041 3.932 -8.632 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.745 4.917 -8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.705 5.890 -9.638 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.330 4.813 -10.871 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.393 5.956 -11.008 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.179 6.732 -9.451 1.00 0.00 H new ATOM 1666 N ARG A 99 -8.076 2.139 -9.772 1.00 0.00 N ATOM 1667 CA ARG A 99 -8.659 0.947 -10.380 1.00 0.00 C ATOM 1668 C ARG A 99 -9.838 0.431 -9.559 1.00 0.00 C ATOM 1669 O ARG A 99 -10.890 0.102 -10.107 1.00 0.00 O ATOM 1670 CB ARG A 99 -7.602 -0.150 -10.517 1.00 0.00 C ATOM 1671 CG ARG A 99 -8.038 -1.304 -11.405 1.00 0.00 C ATOM 1672 CD ARG A 99 -7.393 -1.227 -12.780 1.00 0.00 C ATOM 1673 NE ARG A 99 -8.290 -1.695 -13.833 1.00 0.00 N ATOM 1674 CZ ARG A 99 -9.241 -0.946 -14.387 1.00 0.00 C ATOM 1675 NH1 ARG A 99 -9.424 0.307 -13.992 1.00 0.00 N ATOM 1676 NH2 ARG A 99 -10.011 -1.453 -15.341 1.00 0.00 N ATOM 0 H ARG A 99 -7.082 2.059 -9.558 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.023 1.220 -11.370 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.689 0.285 -10.922 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.359 -0.535 -9.527 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -7.773 -2.249 -10.931 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.123 -1.293 -11.510 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -7.099 -0.198 -12.985 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -6.482 -1.826 -12.787 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.181 -2.654 -14.164 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -8.834 0.702 -13.260 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.154 0.875 -14.421 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.874 -2.416 -15.649 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.740 -0.880 -15.766 1.00 0.00 H new ATOM 1690 N CYS A 100 -9.655 0.360 -8.244 1.00 0.00 N ATOM 1691 CA CYS A 100 -10.706 -0.119 -7.353 1.00 0.00 C ATOM 1692 C CYS A 100 -11.571 1.037 -6.854 1.00 0.00 C ATOM 1693 O CYS A 100 -12.671 1.261 -7.359 1.00 0.00 O ATOM 1694 CB CYS A 100 -10.095 -0.871 -6.167 1.00 0.00 C ATOM 1695 SG CYS A 100 -11.305 -1.454 -4.955 1.00 0.00 S ATOM 0 H CYS A 100 -8.791 0.627 -7.773 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.342 -0.802 -7.917 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -9.534 -1.726 -6.544 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -9.381 -0.217 -5.666 1.00 0.00 H new ATOM 0 HG CYS A 100 -10.931 -1.098 -3.762 1.00 0.00 H new ATOM 1701 N GLY A 101 -11.071 1.767 -5.863 1.00 0.00 N ATOM 1702 CA GLY A 101 -11.816 2.887 -5.320 1.00 0.00 C ATOM 1703 C GLY A 101 -11.086 3.580 -4.184 1.00 0.00 C ATOM 1704 O GLY A 101 -11.706 4.024 -3.219 1.00 0.00 O ATOM 0 H GLY A 101 -10.164 1.603 -5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.011 3.608 -6.114 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.784 2.536 -4.963 1.00 0.00 H new ATOM 1708 N GLY A 102 -9.765 3.672 -4.302 1.00 0.00 N ATOM 1709 CA GLY A 102 -8.973 4.318 -3.272 1.00 0.00 C ATOM 1710 C GLY A 102 -9.368 5.766 -3.065 1.00 0.00 C ATOM 1711 O GLY A 102 -9.737 6.165 -1.960 1.00 0.00 O ATOM 0 H GLY A 102 -9.230 3.311 -5.092 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.088 3.775 -2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.918 4.267 -3.542 1.00 0.00 H new ATOM 1715 N ILE A 103 -9.291 6.557 -4.132 1.00 0.00 N ATOM 1716 CA ILE A 103 -9.641 7.968 -4.067 1.00 0.00 C ATOM 1717 C ILE A 103 -11.034 8.165 -3.478 1.00 0.00 C ATOM 1718 O ILE A 103 -11.284 9.134 -2.762 1.00 0.00 O ATOM 1719 CB ILE A 103 -9.588 8.613 -5.464 1.00 0.00 C ATOM 1720 CG1 ILE A 103 -8.257 8.285 -6.139 1.00 0.00 C ATOM 1721 CG2 ILE A 103 -9.791 10.118 -5.368 1.00 0.00 C ATOM 1722 CD1 ILE A 103 -8.345 7.137 -7.117 1.00 0.00 C ATOM 0 H ILE A 103 -8.988 6.241 -5.053 1.00 0.00 H new ATOM 0 HA ILE A 103 -8.910 8.451 -3.419 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.396 8.205 -6.071 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -7.896 9.171 -6.662 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -7.520 8.044 -5.373 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.750 10.555 -6.366 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.763 10.326 -4.920 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.006 10.552 -4.749 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.364 6.959 -7.559 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.676 6.239 -6.595 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -9.058 7.383 -7.904 1.00 0.00 H new ATOM 1734 N GLN A 104 -11.936 7.235 -3.776 1.00 0.00 N ATOM 1735 CA GLN A 104 -13.298 7.307 -3.264 1.00 0.00 C ATOM 1736 C GLN A 104 -13.305 7.116 -1.752 1.00 0.00 C ATOM 1737 O GLN A 104 -13.994 7.834 -1.024 1.00 0.00 O ATOM 1738 CB GLN A 104 -14.174 6.245 -3.934 1.00 0.00 C ATOM 1739 CG GLN A 104 -15.077 6.801 -5.024 1.00 0.00 C ATOM 1740 CD GLN A 104 -14.314 7.598 -6.064 1.00 0.00 C ATOM 1741 OE1 GLN A 104 -14.651 8.746 -6.353 1.00 0.00 O ATOM 1742 NE2 GLN A 104 -13.277 6.992 -6.632 1.00 0.00 N ATOM 0 H GLN A 104 -11.748 6.426 -4.368 1.00 0.00 H new ATOM 0 HA GLN A 104 -13.704 8.292 -3.494 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.533 5.475 -4.363 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.789 5.762 -3.175 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -15.599 5.978 -5.513 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -15.838 7.437 -4.571 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -13.033 6.039 -6.362 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.725 7.480 -7.338 1.00 0.00 H new ATOM 1751 N TYR A 105 -12.525 6.148 -1.286 1.00 0.00 N ATOM 1752 CA TYR A 105 -12.427 5.857 0.138 1.00 0.00 C ATOM 1753 C TYR A 105 -11.737 7.003 0.871 1.00 0.00 C ATOM 1754 O TYR A 105 -12.120 7.365 1.985 1.00 0.00 O ATOM 1755 CB TYR A 105 -11.657 4.553 0.354 1.00 0.00 C ATOM 1756 CG TYR A 105 -11.442 4.198 1.808 1.00 0.00 C ATOM 1757 CD1 TYR A 105 -12.472 3.670 2.575 1.00 0.00 C ATOM 1758 CD2 TYR A 105 -10.206 4.390 2.412 1.00 0.00 C ATOM 1759 CE1 TYR A 105 -12.277 3.343 3.903 1.00 0.00 C ATOM 1760 CE2 TYR A 105 -10.002 4.065 3.740 1.00 0.00 C ATOM 1761 CZ TYR A 105 -11.040 3.541 4.481 1.00 0.00 C ATOM 1762 OH TYR A 105 -10.841 3.215 5.802 1.00 0.00 O ATOM 0 H TYR A 105 -11.949 5.549 -1.877 1.00 0.00 H new ATOM 0 HA TYR A 105 -13.434 5.745 0.541 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -12.197 3.740 -0.132 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.687 4.630 -0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -13.442 3.512 2.126 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.391 4.800 1.834 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -13.089 2.934 4.486 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -9.035 4.221 4.195 1.00 0.00 H new ATOM 0 HH TYR A 105 -10.416 2.334 5.861 1.00 0.00 H new ATOM 1772 N LEU A 106 -10.718 7.573 0.236 1.00 0.00 N ATOM 1773 CA LEU A 106 -9.971 8.680 0.823 1.00 0.00 C ATOM 1774 C LEU A 106 -10.816 9.951 0.852 1.00 0.00 C ATOM 1775 O LEU A 106 -10.936 10.599 1.887 1.00 0.00 O ATOM 1776 CB LEU A 106 -8.680 8.928 0.041 1.00 0.00 C ATOM 1777 CG LEU A 106 -7.407 8.981 0.886 1.00 0.00 C ATOM 1778 CD1 LEU A 106 -6.211 9.351 0.024 1.00 0.00 C ATOM 1779 CD2 LEU A 106 -7.561 9.966 2.037 1.00 0.00 C ATOM 0 H LEU A 106 -10.390 7.286 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.717 8.410 1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.569 8.141 -0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.777 9.869 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.237 7.990 1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.314 9.384 0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.084 8.606 -0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.377 10.329 -0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.643 9.986 2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.760 10.961 1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.391 9.656 2.672 1.00 0.00 H new ATOM 1791 N GLN A 107 -11.396 10.299 -0.293 1.00 0.00 N ATOM 1792 CA GLN A 107 -12.227 11.493 -0.394 1.00 0.00 C ATOM 1793 C GLN A 107 -13.417 11.409 0.562 1.00 0.00 C ATOM 1794 O GLN A 107 -13.911 12.428 1.046 1.00 0.00 O ATOM 1795 CB GLN A 107 -12.711 11.688 -1.837 1.00 0.00 C ATOM 1796 CG GLN A 107 -13.819 10.734 -2.256 1.00 0.00 C ATOM 1797 CD GLN A 107 -15.126 11.447 -2.545 1.00 0.00 C ATOM 1798 OE1 GLN A 107 -15.442 12.458 -1.743 1.00 0.00 O flip ATOM 1799 NE2 GLN A 107 -15.846 11.093 -3.478 1.00 0.00 N flip ATOM 0 H GLN A 107 -11.306 9.772 -1.162 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.622 12.355 -0.110 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.065 12.712 -1.955 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -11.865 11.563 -2.512 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.505 10.186 -3.144 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.978 9.999 -1.467 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.566 10.311 -4.070 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.723 11.581 -3.659 1.00 0.00 H new ATOM 1808 N SER A 108 -13.865 10.188 0.831 1.00 0.00 N ATOM 1809 CA SER A 108 -14.991 9.962 1.733 1.00 0.00 C ATOM 1810 C SER A 108 -14.598 10.281 3.169 1.00 0.00 C ATOM 1811 O SER A 108 -15.284 11.037 3.860 1.00 0.00 O ATOM 1812 CB SER A 108 -15.476 8.515 1.629 1.00 0.00 C ATOM 1813 OG SER A 108 -14.606 7.635 2.322 1.00 0.00 O ATOM 0 H SER A 108 -13.465 9.336 0.437 1.00 0.00 H new ATOM 0 HA SER A 108 -15.804 10.626 1.439 1.00 0.00 H new ATOM 0 HB2 SER A 108 -16.482 8.435 2.040 1.00 0.00 H new ATOM 0 HB3 SER A 108 -15.535 8.222 0.581 1.00 0.00 H new ATOM 0 HG SER A 108 -13.699 7.720 1.961 1.00 0.00 H new ATOM 1819 N ALA A 109 -13.477 9.717 3.609 1.00 0.00 N ATOM 1820 CA ALA A 109 -12.981 9.962 4.955 1.00 0.00 C ATOM 1821 C ALA A 109 -12.448 11.382 5.049 1.00 0.00 C ATOM 1822 O ALA A 109 -12.501 12.021 6.099 1.00 0.00 O ATOM 1823 CB ALA A 109 -11.895 8.957 5.314 1.00 0.00 C ATOM 0 H ALA A 109 -12.897 9.089 3.053 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.799 9.842 5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.535 9.155 6.324 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.303 7.947 5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.068 9.048 4.610 1.00 0.00 H new ATOM 1829 N ILE A 110 -11.949 11.869 3.919 1.00 0.00 N ATOM 1830 CA ILE A 110 -11.415 13.213 3.819 1.00 0.00 C ATOM 1831 C ILE A 110 -12.503 14.238 4.131 1.00 0.00 C ATOM 1832 O ILE A 110 -12.305 15.149 4.936 1.00 0.00 O ATOM 1833 CB ILE A 110 -10.849 13.457 2.402 1.00 0.00 C ATOM 1834 CG1 ILE A 110 -9.436 12.887 2.282 1.00 0.00 C ATOM 1835 CG2 ILE A 110 -10.851 14.932 2.053 1.00 0.00 C ATOM 1836 CD1 ILE A 110 -8.976 12.710 0.850 1.00 0.00 C ATOM 0 H ILE A 110 -11.905 11.339 3.048 1.00 0.00 H new ATOM 0 HA ILE A 110 -10.609 13.323 4.545 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.498 12.942 1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.741 13.548 2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -9.397 11.923 2.790 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -10.447 15.069 1.050 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -11.872 15.313 2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -10.236 15.476 2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -7.965 12.302 0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.649 12.025 0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -8.982 13.675 0.344 1.00 0.00 H new ATOM 1848 N GLU A 111 -13.656 14.076 3.488 1.00 0.00 N ATOM 1849 CA GLU A 111 -14.783 14.976 3.695 1.00 0.00 C ATOM 1850 C GLU A 111 -15.313 14.846 5.117 1.00 0.00 C ATOM 1851 O GLU A 111 -15.699 15.832 5.744 1.00 0.00 O ATOM 1852 CB GLU A 111 -15.898 14.673 2.693 1.00 0.00 C ATOM 1853 CG GLU A 111 -15.605 15.171 1.287 1.00 0.00 C ATOM 1854 CD GLU A 111 -16.865 15.427 0.484 1.00 0.00 C ATOM 1855 OE1 GLU A 111 -17.745 14.542 0.463 1.00 0.00 O ATOM 1856 OE2 GLU A 111 -16.972 16.515 -0.123 1.00 0.00 O ATOM 0 H GLU A 111 -13.833 13.328 2.818 1.00 0.00 H new ATOM 0 HA GLU A 111 -14.439 15.999 3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -16.063 13.596 2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -16.824 15.127 3.045 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -15.023 16.091 1.345 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -14.990 14.437 0.767 1.00 0.00 H new ATOM 1863 N SER A 112 -15.321 13.617 5.623 1.00 0.00 N ATOM 1864 CA SER A 112 -15.791 13.348 6.975 1.00 0.00 C ATOM 1865 C SER A 112 -14.695 13.631 8.001 1.00 0.00 C ATOM 1866 O SER A 112 -14.928 13.552 9.207 1.00 0.00 O ATOM 1867 CB SER A 112 -16.256 11.896 7.096 1.00 0.00 C ATOM 1868 OG SER A 112 -17.426 11.669 6.328 1.00 0.00 O ATOM 0 H SER A 112 -15.006 12.791 5.115 1.00 0.00 H new ATOM 0 HA SER A 112 -16.632 14.010 7.178 1.00 0.00 H new ATOM 0 HB2 SER A 112 -15.462 11.228 6.762 1.00 0.00 H new ATOM 0 HB3 SER A 112 -16.452 11.660 8.142 1.00 0.00 H new ATOM 0 HG SER A 112 -17.702 10.733 6.421 1.00 0.00 H new ATOM 1874 N ARG A 113 -13.500 13.963 7.513 1.00 0.00 N ATOM 1875 CA ARG A 113 -12.368 14.259 8.384 1.00 0.00 C ATOM 1876 C ARG A 113 -11.966 13.033 9.196 1.00 0.00 C ATOM 1877 O ARG A 113 -12.055 13.027 10.424 1.00 0.00 O ATOM 1878 CB ARG A 113 -12.702 15.428 9.314 1.00 0.00 C ATOM 1879 CG ARG A 113 -12.760 16.768 8.597 1.00 0.00 C ATOM 1880 CD ARG A 113 -14.193 17.240 8.403 1.00 0.00 C ATOM 1881 NE ARG A 113 -14.330 18.675 8.638 1.00 0.00 N ATOM 1882 CZ ARG A 113 -15.355 19.404 8.198 1.00 0.00 C ATOM 1883 NH1 ARG A 113 -16.334 18.834 7.506 1.00 0.00 N ATOM 1884 NH2 ARG A 113 -15.401 20.704 8.450 1.00 0.00 N ATOM 0 H ARG A 113 -13.293 14.033 6.517 1.00 0.00 H new ATOM 0 HA ARG A 113 -11.523 14.541 7.756 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -13.662 15.239 9.794 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -11.954 15.479 10.105 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -12.206 17.512 9.170 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.270 16.683 7.627 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -14.518 17.005 7.390 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -14.849 16.696 9.083 1.00 0.00 H new ATOM 0 HE ARG A 113 -13.598 19.147 9.170 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -16.304 17.834 7.309 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -17.116 19.396 7.171 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -14.651 21.147 8.981 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -16.186 21.261 8.113 1.00 0.00 H new ATOM 1898 N GLN A 114 -11.518 11.998 8.495 1.00 0.00 N ATOM 1899 CA GLN A 114 -11.091 10.760 9.135 1.00 0.00 C ATOM 1900 C GLN A 114 -10.030 10.059 8.290 1.00 0.00 C ATOM 1901 O GLN A 114 -9.863 8.844 8.369 1.00 0.00 O ATOM 1902 CB GLN A 114 -12.288 9.832 9.350 1.00 0.00 C ATOM 1903 CG GLN A 114 -12.877 9.916 10.750 1.00 0.00 C ATOM 1904 CD GLN A 114 -11.921 9.416 11.815 1.00 0.00 C ATOM 1905 OE1 GLN A 114 -10.973 10.106 12.187 1.00 0.00 O ATOM 1906 NE2 GLN A 114 -12.166 8.208 12.311 1.00 0.00 N ATOM 0 H GLN A 114 -11.441 11.992 7.478 1.00 0.00 H new ATOM 0 HA GLN A 114 -10.658 11.006 10.105 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -13.063 10.077 8.623 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -11.981 8.805 9.155 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -13.147 10.950 10.965 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -13.797 9.332 10.789 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -12.964 7.670 11.973 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -11.556 7.818 13.030 1.00 0.00 H new ATOM 1915 N ALA A 115 -9.317 10.839 7.481 1.00 0.00 N ATOM 1916 CA ALA A 115 -8.272 10.299 6.619 1.00 0.00 C ATOM 1917 C ALA A 115 -6.880 10.619 7.159 1.00 0.00 C ATOM 1918 O ALA A 115 -5.879 10.099 6.667 1.00 0.00 O ATOM 1919 CB ALA A 115 -8.428 10.839 5.206 1.00 0.00 C ATOM 0 H ALA A 115 -9.445 11.848 7.405 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.379 9.214 6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.642 10.429 4.571 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.402 10.549 4.811 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -8.352 11.926 5.222 1.00 0.00 H new ATOM 1925 N ARG A 116 -6.819 11.482 8.172 1.00 0.00 N ATOM 1926 CA ARG A 116 -5.546 11.870 8.771 1.00 0.00 C ATOM 1927 C ARG A 116 -4.685 12.635 7.772 1.00 0.00 C ATOM 1928 O ARG A 116 -3.849 12.051 7.084 1.00 0.00 O ATOM 1929 CB ARG A 116 -4.793 10.635 9.269 1.00 0.00 C ATOM 1930 CG ARG A 116 -3.963 10.894 10.517 1.00 0.00 C ATOM 1931 CD ARG A 116 -3.450 9.599 11.124 1.00 0.00 C ATOM 1932 NE ARG A 116 -2.817 9.815 12.423 1.00 0.00 N ATOM 1933 CZ ARG A 116 -2.595 8.847 13.308 1.00 0.00 C ATOM 1934 NH1 ARG A 116 -2.948 7.596 13.040 1.00 0.00 N ATOM 1935 NH2 ARG A 116 -2.016 9.130 14.469 1.00 0.00 N ATOM 0 H ARG A 116 -7.636 11.924 8.594 1.00 0.00 H new ATOM 0 HA ARG A 116 -5.757 12.523 9.617 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -5.510 9.841 9.477 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -4.139 10.273 8.476 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -3.120 11.539 10.267 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -4.566 11.428 11.252 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -4.278 8.899 11.236 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -2.733 9.139 10.444 1.00 0.00 H new ATOM 0 HE ARG A 116 -2.529 10.763 12.665 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -3.393 7.371 12.150 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -2.774 6.859 13.724 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -1.742 10.089 14.682 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -1.845 8.388 15.148 1.00 0.00 H new ATOM 1949 N PRO A 117 -4.876 13.964 7.681 1.00 0.00 N ATOM 1950 CA PRO A 117 -4.109 14.810 6.763 1.00 0.00 C ATOM 1951 C PRO A 117 -2.607 14.579 6.887 1.00 0.00 C ATOM 1952 O PRO A 117 -1.961 15.103 7.794 1.00 0.00 O ATOM 1953 CB PRO A 117 -4.475 16.229 7.204 1.00 0.00 C ATOM 1954 CG PRO A 117 -5.825 16.096 7.816 1.00 0.00 C ATOM 1955 CD PRO A 117 -5.852 14.742 8.469 1.00 0.00 C ATOM 0 HA PRO A 117 -4.342 14.602 5.719 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -3.752 16.620 7.920 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -4.489 16.916 6.358 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -6.002 16.885 8.547 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -6.606 16.181 7.060 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -5.568 14.797 9.520 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -6.846 14.297 8.430 1.00 0.00 H new ATOM 1963 N THR A 118 -2.056 13.786 5.970 1.00 0.00 N ATOM 1964 CA THR A 118 -0.630 13.482 5.979 1.00 0.00 C ATOM 1965 C THR A 118 -0.011 13.726 4.605 1.00 0.00 C ATOM 1966 O THR A 118 1.060 14.322 4.492 1.00 0.00 O ATOM 1967 CB THR A 118 -0.398 12.032 6.405 1.00 0.00 C ATOM 1968 OG1 THR A 118 -1.517 11.229 6.078 1.00 0.00 O ATOM 1969 CG2 THR A 118 -0.140 11.877 7.887 1.00 0.00 C ATOM 0 H THR A 118 -2.577 13.344 5.213 1.00 0.00 H new ATOM 0 HA THR A 118 -0.148 14.146 6.697 1.00 0.00 H new ATOM 0 HB THR A 118 0.491 11.711 5.863 1.00 0.00 H new ATOM 0 HG1 THR A 118 -2.233 11.386 6.728 1.00 0.00 H new ATOM 0 HG21 THR A 118 0.016 10.824 8.121 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.748 12.446 8.163 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.998 12.250 8.447 1.00 0.00 H new ATOM 1977 N TYR A 119 -0.691 13.259 3.563 1.00 0.00 N ATOM 1978 CA TYR A 119 -0.207 13.425 2.198 1.00 0.00 C ATOM 1979 C TYR A 119 -1.200 12.851 1.194 1.00 0.00 C ATOM 1980 O TYR A 119 -1.598 13.524 0.244 1.00 0.00 O ATOM 1981 CB TYR A 119 1.154 12.747 2.026 1.00 0.00 C ATOM 1982 CG TYR A 119 1.720 12.872 0.629 1.00 0.00 C ATOM 1983 CD1 TYR A 119 1.212 12.110 -0.417 1.00 0.00 C ATOM 1984 CD2 TYR A 119 2.759 13.750 0.354 1.00 0.00 C ATOM 1985 CE1 TYR A 119 1.724 12.223 -1.696 1.00 0.00 C ATOM 1986 CE2 TYR A 119 3.277 13.868 -0.923 1.00 0.00 C ATOM 1987 CZ TYR A 119 2.755 13.103 -1.942 1.00 0.00 C ATOM 1988 OH TYR A 119 3.269 13.217 -3.215 1.00 0.00 O ATOM 0 H TYR A 119 -1.579 12.763 3.638 1.00 0.00 H new ATOM 0 HA TYR A 119 -0.099 14.493 2.009 1.00 0.00 H new ATOM 0 HB2 TYR A 119 1.859 13.181 2.735 1.00 0.00 H new ATOM 0 HB3 TYR A 119 1.059 11.691 2.277 1.00 0.00 H new ATOM 0 HD1 TYR A 119 0.404 11.419 -0.227 1.00 0.00 H new ATOM 0 HD2 TYR A 119 3.170 14.352 1.151 1.00 0.00 H new ATOM 0 HE1 TYR A 119 1.318 11.625 -2.498 1.00 0.00 H new ATOM 0 HE2 TYR A 119 4.086 14.556 -1.120 1.00 0.00 H new ATOM 0 HH TYR A 119 3.990 13.881 -3.219 1.00 0.00 H new ATOM 1998 N ALA A 120 -1.594 11.598 1.408 1.00 0.00 N ATOM 1999 CA ALA A 120 -2.538 10.931 0.519 1.00 0.00 C ATOM 2000 C ALA A 120 -3.811 11.751 0.350 1.00 0.00 C ATOM 2001 O ALA A 120 -4.366 11.836 -0.745 1.00 0.00 O ATOM 2002 CB ALA A 120 -2.870 9.544 1.047 1.00 0.00 C ATOM 0 H ALA A 120 -1.274 11.026 2.189 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.068 10.834 -0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.576 9.058 0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.958 8.950 1.108 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.314 9.629 2.039 1.00 0.00 H new ATOM 2008 N THR A 121 -4.271 12.355 1.439 1.00 0.00 N ATOM 2009 CA THR A 121 -5.481 13.168 1.405 1.00 0.00 C ATOM 2010 C THR A 121 -5.268 14.424 0.566 1.00 0.00 C ATOM 2011 O THR A 121 -6.142 14.825 -0.203 1.00 0.00 O ATOM 2012 CB THR A 121 -5.907 13.544 2.823 1.00 0.00 C ATOM 2013 OG1 THR A 121 -4.840 14.157 3.525 1.00 0.00 O ATOM 2014 CG2 THR A 121 -6.375 12.357 3.636 1.00 0.00 C ATOM 0 H THR A 121 -3.826 12.298 2.355 1.00 0.00 H new ATOM 0 HA THR A 121 -6.274 12.580 0.944 1.00 0.00 H new ATOM 0 HB THR A 121 -6.742 14.235 2.702 1.00 0.00 H new ATOM 0 HG1 THR A 121 -5.038 15.108 3.655 1.00 0.00 H new ATOM 0 HG21 THR A 121 -6.664 12.690 4.633 1.00 0.00 H new ATOM 0 HG22 THR A 121 -7.232 11.895 3.145 1.00 0.00 H new ATOM 0 HG23 THR A 121 -5.567 11.630 3.716 1.00 0.00 H new ATOM 2022 N ALA A 122 -4.097 15.036 0.713 1.00 0.00 N ATOM 2023 CA ALA A 122 -3.769 16.242 -0.040 1.00 0.00 C ATOM 2024 C ALA A 122 -3.657 15.934 -1.526 1.00 0.00 C ATOM 2025 O ALA A 122 -4.372 16.509 -2.352 1.00 0.00 O ATOM 2026 CB ALA A 122 -2.473 16.849 0.476 1.00 0.00 C ATOM 0 H ALA A 122 -3.362 14.718 1.344 1.00 0.00 H new ATOM 0 HA ALA A 122 -4.573 16.965 0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.240 17.748 -0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.586 17.106 1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -1.663 16.128 0.364 1.00 0.00 H new ATOM 2032 N MET A 123 -2.764 15.011 -1.860 1.00 0.00 N ATOM 2033 CA MET A 123 -2.562 14.611 -3.247 1.00 0.00 C ATOM 2034 C MET A 123 -3.890 14.210 -3.878 1.00 0.00 C ATOM 2035 O MET A 123 -4.090 14.380 -5.080 1.00 0.00 O ATOM 2036 CB MET A 123 -1.544 13.470 -3.335 1.00 0.00 C ATOM 2037 CG MET A 123 -1.822 12.325 -2.377 1.00 0.00 C ATOM 2038 SD MET A 123 -2.219 10.786 -3.227 1.00 0.00 S ATOM 2039 CE MET A 123 -3.386 11.369 -4.452 1.00 0.00 C ATOM 0 H MET A 123 -2.168 14.525 -1.190 1.00 0.00 H new ATOM 0 HA MET A 123 -2.163 15.460 -3.802 1.00 0.00 H new ATOM 0 HB2 MET A 123 -1.532 13.084 -4.354 1.00 0.00 H new ATOM 0 HB3 MET A 123 -0.549 13.867 -3.133 1.00 0.00 H new ATOM 0 HG2 MET A 123 -0.951 12.169 -1.741 1.00 0.00 H new ATOM 0 HG3 MET A 123 -2.650 12.598 -1.722 1.00 0.00 H new ATOM 0 HE1 MET A 123 -3.630 10.557 -5.137 1.00 0.00 H new ATOM 0 HE2 MET A 123 -4.294 11.711 -3.956 1.00 0.00 H new ATOM 0 HE3 MET A 123 -2.945 12.195 -5.011 1.00 0.00 H new ATOM 2049 N LEU A 124 -4.807 13.699 -3.057 1.00 0.00 N ATOM 2050 CA LEU A 124 -6.124 13.303 -3.542 1.00 0.00 C ATOM 2051 C LEU A 124 -6.930 14.534 -3.924 1.00 0.00 C ATOM 2052 O LEU A 124 -7.506 14.606 -5.010 1.00 0.00 O ATOM 2053 CB LEU A 124 -6.876 12.497 -2.481 1.00 0.00 C ATOM 2054 CG LEU A 124 -7.743 11.362 -3.030 1.00 0.00 C ATOM 2055 CD1 LEU A 124 -7.070 10.014 -2.807 1.00 0.00 C ATOM 2056 CD2 LEU A 124 -9.125 11.389 -2.392 1.00 0.00 C ATOM 0 H LEU A 124 -4.661 13.551 -2.058 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.989 12.673 -4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.151 12.077 -1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.510 13.176 -1.911 1.00 0.00 H new ATOM 0 HG LEU A 124 -7.860 11.508 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.703 9.221 -3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.107 9.999 -3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.918 9.856 -1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -9.728 10.575 -2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.030 11.271 -1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.609 12.341 -2.611 1.00 0.00 H new ATOM 2068 N GLN A 125 -6.952 15.513 -3.022 1.00 0.00 N ATOM 2069 CA GLN A 125 -7.673 16.758 -3.262 1.00 0.00 C ATOM 2070 C GLN A 125 -7.288 17.331 -4.617 1.00 0.00 C ATOM 2071 O GLN A 125 -8.120 17.892 -5.330 1.00 0.00 O ATOM 2072 CB GLN A 125 -7.369 17.772 -2.157 1.00 0.00 C ATOM 2073 CG GLN A 125 -8.014 17.431 -0.823 1.00 0.00 C ATOM 2074 CD GLN A 125 -9.511 17.223 -0.934 1.00 0.00 C ATOM 2075 OE1 GLN A 125 -9.925 15.967 -1.060 1.00 0.00 O flip ATOM 2076 NE2 GLN A 125 -10.287 18.179 -0.912 1.00 0.00 N flip ATOM 0 H GLN A 125 -6.479 15.467 -2.120 1.00 0.00 H new ATOM 0 HA GLN A 125 -8.743 16.548 -3.257 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.289 17.838 -2.023 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -7.711 18.757 -2.475 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.554 16.528 -0.422 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -7.814 18.233 -0.112 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -9.925 19.128 -0.813 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -11.292 18.022 -0.992 1.00 0.00 H new ATOM 2085 N ASN A 126 -6.017 17.167 -4.972 1.00 0.00 N ATOM 2086 CA ASN A 126 -5.517 17.646 -6.251 1.00 0.00 C ATOM 2087 C ASN A 126 -5.820 16.626 -7.344 1.00 0.00 C ATOM 2088 O ASN A 126 -6.071 16.988 -8.494 1.00 0.00 O ATOM 2089 CB ASN A 126 -4.008 17.929 -6.156 1.00 0.00 C ATOM 2090 CG ASN A 126 -3.250 17.570 -7.420 1.00 0.00 C ATOM 2091 OD1 ASN A 126 -3.005 16.279 -7.612 1.00 0.00 O flip ATOM 2092 ND2 ASN A 126 -2.888 18.441 -8.212 1.00 0.00 N flip ATOM 0 H ASN A 126 -5.317 16.706 -4.391 1.00 0.00 H new ATOM 0 HA ASN A 126 -6.019 18.578 -6.508 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -3.857 18.986 -5.938 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -3.592 17.368 -5.319 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -3.098 19.421 -8.023 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -2.378 18.182 -9.056 1.00 0.00 H new ATOM 2099 N LEU A 127 -5.811 15.351 -6.971 1.00 0.00 N ATOM 2100 CA LEU A 127 -6.103 14.279 -7.915 1.00 0.00 C ATOM 2101 C LEU A 127 -7.530 14.407 -8.443 1.00 0.00 C ATOM 2102 O LEU A 127 -7.879 13.817 -9.466 1.00 0.00 O ATOM 2103 CB LEU A 127 -5.916 12.915 -7.243 1.00 0.00 C ATOM 2104 CG LEU A 127 -5.240 11.852 -8.112 1.00 0.00 C ATOM 2105 CD1 LEU A 127 -3.763 11.738 -7.766 1.00 0.00 C ATOM 2106 CD2 LEU A 127 -5.932 10.508 -7.946 1.00 0.00 C ATOM 0 H LEU A 127 -5.605 15.035 -6.023 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.410 14.360 -8.753 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.325 13.051 -6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.893 12.542 -6.934 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.326 12.157 -9.155 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.300 10.977 -8.394 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.274 12.697 -7.937 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.655 11.458 -6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -5.438 9.765 -8.571 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.879 10.198 -6.902 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.976 10.597 -8.245 1.00 0.00 H new ATOM 2118 N LEU A 128 -8.354 15.180 -7.736 1.00 0.00 N ATOM 2119 CA LEU A 128 -9.743 15.382 -8.132 1.00 0.00 C ATOM 2120 C LEU A 128 -9.877 16.556 -9.099 1.00 0.00 C ATOM 2121 O LEU A 128 -10.873 16.670 -9.814 1.00 0.00 O ATOM 2122 CB LEU A 128 -10.613 15.622 -6.897 1.00 0.00 C ATOM 2123 CG LEU A 128 -10.575 14.508 -5.851 1.00 0.00 C ATOM 2124 CD1 LEU A 128 -10.934 15.052 -4.478 1.00 0.00 C ATOM 2125 CD2 LEU A 128 -11.516 13.377 -6.243 1.00 0.00 C ATOM 0 H LEU A 128 -8.082 15.675 -6.887 1.00 0.00 H new ATOM 0 HA LEU A 128 -10.082 14.480 -8.642 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -10.298 16.553 -6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -11.645 15.761 -7.220 1.00 0.00 H new ATOM 0 HG LEU A 128 -9.561 14.111 -5.807 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -10.902 14.244 -3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -10.221 15.826 -4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -11.938 15.476 -4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -11.476 12.592 -5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -12.534 13.760 -6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -11.212 12.968 -7.207 1.00 0.00 H new