USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 725 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 57 SER OG : rot -9:sc= 0.994 USER MOD Set 1.2: A 107 GLN : amide:sc= -0.205 K(o=0.79,f=-2.6!) USER MOD Set 2.1: A 21 TYR OH : rot 180:sc= 0.106 USER MOD Set 2.2: A 85 HIS : no HE2:sc= -3.94 K(o=-3.8,f=-8.4!) USER MOD Single : A 18 SER OG : rot -160:sc= -2.4! USER MOD Single : A 19 CYS SG : rot -170:sc= 0.713 USER MOD Single : A 20 CYS SG : rot -67:sc= 0.815 USER MOD Single : A 23 SER OG : rot 66:sc= -0.761 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.706 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -134:sc= 0.501 USER MOD Single : A 42 GLN : amide:sc= -1.87! K(o=-1.9!,f=-0.091) USER MOD Single : A 44 HIS : no HD1:sc= 1.15 K(o=1.2,f=-4.1!) USER MOD Single : A 45 ASN : amide:sc= -2.6! K(o=-2.6!,f=-1.1) USER MOD Single : A 49 GLN : amide:sc= -0.258 X(o=-0.26,f=0) USER MOD Single : A 51 THR OG1 : rot -80:sc= -2.46! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.48 K(o=-1.5,f=-6.1!) USER MOD Single : A 63 GLN : amide:sc= 0.708 K(o=0.71,f=-4.1!) USER MOD Single : A 68 HIS : no HD1:sc= -1.99 K(o=-2,f=-0.056) USER MOD Single : A 76 MET CE :methyl 142:sc= -2.28 (180deg=-6.38!) USER MOD Single : A 77 SER OG : rot 77:sc= 1.05 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 80 GLN : amide:sc= -6.36! K(o=-6.4!,f=-2.7) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.737 K(o=-0.74,f=-0.072) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -119:sc= 1.26 (180deg=-0.14) USER MOD Single : A 105 HIS : no HE2:sc= -0.801 X(o=-0.8,f=-0.82) USER MOD Single : A 106 MET CE :methyl -153:sc= -0.317 (180deg=-1.55!) USER MOD ----------------------------------------------------------------- ATOM 138 N ASP A 15 6.659 18.855 -6.233 1.00 10.00 N ATOM 139 CA ASP A 15 7.124 18.171 -5.092 1.00 10.00 C ATOM 140 C ASP A 15 6.283 17.014 -4.720 1.00 10.00 C ATOM 141 O ASP A 15 5.844 16.870 -3.592 1.00 10.00 O ATOM 142 CB ASP A 15 7.345 19.117 -3.927 1.00 10.00 C ATOM 143 CG ASP A 15 6.189 20.066 -3.656 1.00 10.00 C ATOM 144 OD1 ASP A 15 6.162 21.161 -4.246 1.00 10.00 O ATOM 145 OD2 ASP A 15 5.300 19.749 -2.854 1.00 10.00 O ATOM 0 HA ASP A 15 8.093 17.751 -5.362 1.00 10.00 H new ATOM 0 HB2 ASP A 15 7.534 18.529 -3.029 1.00 10.00 H new ATOM 0 HB3 ASP A 15 8.243 19.704 -4.118 1.00 10.00 H new ATOM 150 N LEU A 16 6.081 16.190 -5.662 1.00 10.00 N ATOM 151 CA LEU A 16 5.439 14.965 -5.467 1.00 10.00 C ATOM 152 C LEU A 16 6.373 13.877 -5.843 1.00 10.00 C ATOM 153 O LEU A 16 7.247 14.051 -6.684 1.00 10.00 O ATOM 154 CB LEU A 16 4.131 14.849 -6.220 1.00 10.00 C ATOM 155 CG LEU A 16 3.076 15.936 -6.003 1.00 10.00 C ATOM 156 CD1 LEU A 16 2.819 16.274 -4.543 1.00 10.00 C ATOM 157 CD2 LEU A 16 3.320 17.143 -6.868 1.00 10.00 C ATOM 0 H LEU A 16 6.369 16.357 -6.626 1.00 10.00 H new ATOM 0 HA LEU A 16 5.172 14.886 -4.413 1.00 10.00 H new ATOM 0 HB2 LEU A 16 4.361 14.815 -7.285 1.00 10.00 H new ATOM 0 HB3 LEU A 16 3.681 13.891 -5.961 1.00 10.00 H new ATOM 0 HG LEU A 16 2.134 15.503 -6.339 1.00 10.00 H new ATOM 0 HD11 LEU A 16 2.059 17.052 -4.478 1.00 10.00 H new ATOM 0 HD12 LEU A 16 2.472 15.383 -4.019 1.00 10.00 H new ATOM 0 HD13 LEU A 16 3.742 16.629 -4.084 1.00 10.00 H new ATOM 0 HD21 LEU A 16 2.547 17.888 -6.680 1.00 10.00 H new ATOM 0 HD22 LEU A 16 4.297 17.567 -6.634 1.00 10.00 H new ATOM 0 HD23 LEU A 16 3.294 16.850 -7.918 1.00 10.00 H new ATOM 169 N VAL A 17 6.184 12.774 -5.230 1.00 10.00 N ATOM 170 CA VAL A 17 7.001 11.657 -5.338 1.00 10.00 C ATOM 171 C VAL A 17 6.122 10.390 -5.179 1.00 10.00 C ATOM 172 O VAL A 17 5.068 10.438 -4.535 1.00 10.00 O ATOM 173 CB VAL A 17 8.122 11.704 -4.247 1.00 10.00 C ATOM 174 CG1 VAL A 17 8.760 10.390 -4.086 1.00 10.00 C ATOM 175 CG2 VAL A 17 9.193 12.745 -4.552 1.00 10.00 C ATOM 0 H VAL A 17 5.396 12.630 -4.598 1.00 10.00 H new ATOM 0 HA VAL A 17 7.489 11.638 -6.313 1.00 10.00 H new ATOM 0 HB VAL A 17 7.627 11.988 -3.319 1.00 10.00 H new ATOM 0 HG11 VAL A 17 9.535 10.453 -3.322 1.00 10.00 H new ATOM 0 HG12 VAL A 17 8.012 9.657 -3.785 1.00 10.00 H new ATOM 0 HG13 VAL A 17 9.207 10.084 -5.032 1.00 10.00 H new ATOM 0 HG21 VAL A 17 9.945 12.735 -3.763 1.00 10.00 H new ATOM 0 HG22 VAL A 17 9.665 12.513 -5.507 1.00 10.00 H new ATOM 0 HG23 VAL A 17 8.736 13.733 -4.604 1.00 10.00 H new ATOM 185 N SER A 18 6.541 9.322 -5.789 1.00 10.00 N ATOM 186 CA SER A 18 5.898 8.039 -5.708 1.00 10.00 C ATOM 187 C SER A 18 6.888 6.951 -5.355 1.00 10.00 C ATOM 188 O SER A 18 7.813 6.653 -6.120 1.00 10.00 O ATOM 189 CB SER A 18 5.189 7.645 -7.009 1.00 10.00 C ATOM 190 OG SER A 18 4.024 8.402 -7.210 1.00 10.00 O ATOM 0 H SER A 18 7.372 9.317 -6.380 1.00 10.00 H new ATOM 0 HA SER A 18 5.149 8.137 -4.922 1.00 10.00 H new ATOM 0 HB2 SER A 18 5.866 7.787 -7.851 1.00 10.00 H new ATOM 0 HB3 SER A 18 4.935 6.585 -6.980 1.00 10.00 H new ATOM 0 HG SER A 18 3.438 7.938 -7.844 1.00 10.00 H new ATOM 196 N CYS A 19 6.723 6.401 -4.208 1.00 10.00 N ATOM 197 CA CYS A 19 7.452 5.238 -3.845 1.00 10.00 C ATOM 198 C CYS A 19 6.579 4.065 -4.209 1.00 10.00 C ATOM 199 O CYS A 19 5.426 3.989 -3.760 1.00 10.00 O ATOM 200 CB CYS A 19 7.784 5.247 -2.361 1.00 10.00 C ATOM 201 SG CYS A 19 8.932 6.548 -1.864 1.00 10.00 S ATOM 0 H CYS A 19 6.080 6.742 -3.494 1.00 10.00 H new ATOM 0 HA CYS A 19 8.407 5.187 -4.368 1.00 10.00 H new ATOM 0 HB2 CYS A 19 6.859 5.359 -1.795 1.00 10.00 H new ATOM 0 HB3 CYS A 19 8.209 4.281 -2.090 1.00 10.00 H new ATOM 0 HG CYS A 19 9.320 6.341 -0.641 1.00 10.00 H new ATOM 207 N CYS A 20 7.089 3.186 -5.023 1.00 10.00 N ATOM 208 CA CYS A 20 6.297 2.105 -5.536 1.00 10.00 C ATOM 209 C CYS A 20 6.880 0.852 -5.005 1.00 10.00 C ATOM 210 O CYS A 20 7.921 0.444 -5.468 1.00 10.00 O ATOM 211 CB CYS A 20 6.357 2.125 -7.064 1.00 10.00 C ATOM 212 SG CYS A 20 5.897 3.723 -7.787 1.00 10.00 S ATOM 0 H CYS A 20 8.056 3.197 -5.347 1.00 10.00 H new ATOM 0 HA CYS A 20 5.253 2.190 -5.236 1.00 10.00 H new ATOM 0 HB2 CYS A 20 7.367 1.868 -7.383 1.00 10.00 H new ATOM 0 HB3 CYS A 20 5.694 1.354 -7.456 1.00 10.00 H new ATOM 0 HG CYS A 20 4.635 3.950 -7.571 1.00 10.00 H new ATOM 218 N TYR A 21 6.220 0.223 -4.062 1.00 10.00 N ATOM 219 CA TYR A 21 6.853 -0.834 -3.359 1.00 10.00 C ATOM 220 C TYR A 21 6.115 -2.123 -3.455 1.00 10.00 C ATOM 221 O TYR A 21 4.953 -2.178 -3.894 1.00 10.00 O ATOM 222 CB TYR A 21 7.051 -0.459 -1.886 1.00 10.00 C ATOM 223 CG TYR A 21 5.921 -0.499 -0.903 1.00 10.00 C ATOM 224 CD1 TYR A 21 5.421 -1.697 -0.399 1.00 10.00 C ATOM 225 CD2 TYR A 21 5.436 0.674 -0.390 1.00 10.00 C ATOM 226 CE1 TYR A 21 4.470 -1.696 0.581 1.00 10.00 C ATOM 227 CE2 TYR A 21 4.486 0.679 0.572 1.00 10.00 C ATOM 228 CZ TYR A 21 4.011 -0.503 1.058 1.00 10.00 C ATOM 229 OH TYR A 21 3.111 -0.500 2.045 1.00 10.00 O ATOM 0 H TYR A 21 5.263 0.429 -3.777 1.00 10.00 H new ATOM 0 HA TYR A 21 7.822 -0.981 -3.837 1.00 10.00 H new ATOM 0 HB2 TYR A 21 7.831 -1.113 -1.496 1.00 10.00 H new ATOM 0 HB3 TYR A 21 7.448 0.556 -1.869 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.789 -2.636 -0.787 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.820 1.613 -0.761 1.00 10.00 H new ATOM 0 HE1 TYR A 21 4.087 -2.626 0.973 1.00 10.00 H new ATOM 0 HE2 TYR A 21 4.105 1.615 0.954 1.00 10.00 H new ATOM 0 HH TYR A 21 2.883 0.424 2.277 1.00 10.00 H new ATOM 239 N ARG A 22 6.760 -3.143 -2.997 1.00 10.00 N ATOM 240 CA ARG A 22 6.175 -4.432 -2.935 1.00 10.00 C ATOM 241 C ARG A 22 6.240 -4.937 -1.516 1.00 10.00 C ATOM 242 O ARG A 22 6.992 -4.418 -0.679 1.00 10.00 O ATOM 243 CB ARG A 22 6.924 -5.421 -3.796 1.00 10.00 C ATOM 244 CG ARG A 22 8.269 -5.815 -3.221 1.00 10.00 C ATOM 245 CD ARG A 22 8.886 -6.887 -4.025 1.00 10.00 C ATOM 246 NE ARG A 22 10.042 -7.478 -3.350 1.00 10.00 N ATOM 247 CZ ARG A 22 11.074 -8.070 -3.964 1.00 10.00 C ATOM 248 NH1 ARG A 22 11.144 -8.102 -5.290 1.00 10.00 N ATOM 249 NH2 ARG A 22 12.050 -8.589 -3.245 1.00 10.00 N ATOM 0 H ARG A 22 7.719 -3.100 -2.652 1.00 10.00 H new ATOM 0 HA ARG A 22 5.147 -4.345 -3.288 1.00 10.00 H new ATOM 0 HB2 ARG A 22 6.315 -6.316 -3.924 1.00 10.00 H new ATOM 0 HB3 ARG A 22 7.072 -4.991 -4.787 1.00 10.00 H new ATOM 0 HG2 ARG A 22 8.928 -4.947 -3.196 1.00 10.00 H new ATOM 0 HG3 ARG A 22 8.146 -6.151 -2.191 1.00 10.00 H new ATOM 0 HD2 ARG A 22 8.147 -7.662 -4.225 1.00 10.00 H new ATOM 0 HD3 ARG A 22 9.195 -6.485 -4.990 1.00 10.00 H new ATOM 0 HE ARG A 22 10.063 -7.436 -2.331 1.00 10.00 H new ATOM 0 HH11 ARG A 22 10.407 -7.673 -5.850 1.00 10.00 H new ATOM 0 HH12 ARG A 22 11.934 -8.555 -5.748 1.00 10.00 H new ATOM 0 HH21 ARG A 22 12.016 -8.538 -2.227 1.00 10.00 H new ATOM 0 HH22 ARG A 22 12.839 -9.041 -3.707 1.00 10.00 H new ATOM 263 N SER A 23 5.455 -5.893 -1.236 1.00 10.00 N ATOM 264 CA SER A 23 5.532 -6.610 -0.023 1.00 10.00 C ATOM 265 C SER A 23 4.993 -7.981 -0.261 1.00 10.00 C ATOM 266 O SER A 23 4.254 -8.202 -1.179 1.00 10.00 O ATOM 267 CB SER A 23 4.772 -5.931 1.121 1.00 10.00 C ATOM 268 OG SER A 23 5.338 -4.697 1.468 1.00 10.00 O ATOM 0 H SER A 23 4.715 -6.214 -1.860 1.00 10.00 H new ATOM 0 HA SER A 23 6.576 -6.647 0.289 1.00 10.00 H new ATOM 0 HB2 SER A 23 3.732 -5.783 0.828 1.00 10.00 H new ATOM 0 HB3 SER A 23 4.768 -6.586 1.992 1.00 10.00 H new ATOM 0 HG SER A 23 5.242 -4.071 0.720 1.00 10.00 H new ATOM 274 N LEU A 24 5.381 -8.891 0.519 1.00 10.00 N ATOM 275 CA LEU A 24 4.836 -10.244 0.379 1.00 10.00 C ATOM 276 C LEU A 24 3.890 -10.556 1.529 1.00 10.00 C ATOM 277 O LEU A 24 4.076 -11.553 2.206 1.00 10.00 O ATOM 278 CB LEU A 24 5.956 -11.309 0.259 1.00 10.00 C ATOM 279 CG LEU A 24 6.785 -11.354 -1.054 1.00 10.00 C ATOM 280 CD1 LEU A 24 5.889 -11.554 -2.261 1.00 10.00 C ATOM 281 CD2 LEU A 24 7.661 -10.122 -1.238 1.00 10.00 C ATOM 0 H LEU A 24 6.064 -8.770 1.266 1.00 10.00 H new ATOM 0 HA LEU A 24 4.268 -10.282 -0.551 1.00 10.00 H new ATOM 0 HB2 LEU A 24 6.650 -11.158 1.086 1.00 10.00 H new ATOM 0 HB3 LEU A 24 5.501 -12.289 0.400 1.00 10.00 H new ATOM 0 HG LEU A 24 7.452 -12.212 -0.967 1.00 10.00 H new ATOM 0 HD11 LEU A 24 6.497 -11.581 -3.165 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.347 -12.494 -2.160 1.00 10.00 H new ATOM 0 HD13 LEU A 24 5.178 -10.730 -2.327 1.00 10.00 H new ATOM 0 HD21 LEU A 24 8.218 -10.207 -2.171 1.00 10.00 H new ATOM 0 HD22 LEU A 24 7.034 -9.231 -1.270 1.00 10.00 H new ATOM 0 HD23 LEU A 24 8.360 -10.045 -0.405 1.00 10.00 H new ATOM 293 N ALA A 25 2.877 -9.642 1.716 1.00 10.00 N ATOM 294 CA ALA A 25 1.880 -9.608 2.850 1.00 10.00 C ATOM 295 C ALA A 25 2.019 -10.734 3.846 1.00 10.00 C ATOM 296 O ALA A 25 1.703 -11.889 3.538 1.00 10.00 O ATOM 297 CB ALA A 25 0.462 -9.519 2.342 1.00 10.00 C ATOM 0 H ALA A 25 2.726 -8.879 1.056 1.00 10.00 H new ATOM 0 HA ALA A 25 2.121 -8.698 3.399 1.00 10.00 H new ATOM 0 HB1 ALA A 25 -0.226 -9.497 3.187 1.00 10.00 H new ATOM 0 HB2 ALA A 25 0.343 -8.610 1.753 1.00 10.00 H new ATOM 0 HB3 ALA A 25 0.244 -10.386 1.719 1.00 10.00 H new ATOM 303 N ALA A 26 2.459 -10.377 5.053 1.00 10.00 N ATOM 304 CA ALA A 26 2.781 -11.305 6.054 1.00 10.00 C ATOM 305 C ALA A 26 1.567 -12.128 6.436 1.00 10.00 C ATOM 306 O ALA A 26 0.547 -11.586 6.825 1.00 10.00 O ATOM 307 CB ALA A 26 3.304 -10.565 7.267 1.00 10.00 C ATOM 0 H ALA A 26 2.593 -9.406 5.335 1.00 10.00 H new ATOM 0 HA ALA A 26 3.546 -11.983 5.675 1.00 10.00 H new ATOM 0 HB1 ALA A 26 3.556 -11.281 8.049 1.00 10.00 H new ATOM 0 HB2 ALA A 26 4.194 -9.999 6.992 1.00 10.00 H new ATOM 0 HB3 ALA A 26 2.539 -9.881 7.634 1.00 10.00 H new ATOM 313 N PRO A 27 1.664 -13.446 6.341 1.00 10.00 N ATOM 314 CA PRO A 27 0.586 -14.393 6.762 1.00 10.00 C ATOM 315 C PRO A 27 0.319 -14.339 8.285 1.00 10.00 C ATOM 316 O PRO A 27 -0.555 -15.022 8.819 1.00 10.00 O ATOM 317 CB PRO A 27 1.198 -15.748 6.391 1.00 10.00 C ATOM 318 CG PRO A 27 2.661 -15.468 6.432 1.00 10.00 C ATOM 319 CD PRO A 27 2.806 -14.181 5.761 1.00 10.00 C ATOM 0 HA PRO A 27 -0.374 -14.174 6.295 1.00 10.00 H new ATOM 0 HB2 PRO A 27 0.915 -16.528 7.098 1.00 10.00 H new ATOM 0 HB3 PRO A 27 0.877 -16.081 5.404 1.00 10.00 H new ATOM 0 HG2 PRO A 27 3.028 -15.424 7.457 1.00 10.00 H new ATOM 0 HG3 PRO A 27 3.229 -16.247 5.923 1.00 10.00 H new ATOM 0 HD2 PRO A 27 3.761 -13.704 5.981 1.00 10.00 H new ATOM 0 HD3 PRO A 27 2.735 -14.268 4.677 1.00 10.00 H new ATOM 327 N ASP A 28 1.079 -13.514 8.933 1.00 10.00 N ATOM 328 CA ASP A 28 1.056 -13.304 10.380 1.00 10.00 C ATOM 329 C ASP A 28 -0.065 -12.327 10.754 1.00 10.00 C ATOM 330 O ASP A 28 -0.509 -12.259 11.898 1.00 10.00 O ATOM 331 CB ASP A 28 2.420 -12.725 10.789 1.00 10.00 C ATOM 332 CG ASP A 28 2.590 -12.489 12.273 1.00 10.00 C ATOM 333 OD1 ASP A 28 2.993 -13.425 12.991 1.00 10.00 O ATOM 334 OD2 ASP A 28 2.411 -11.346 12.732 1.00 10.00 O ATOM 0 H ASP A 28 1.772 -12.932 8.462 1.00 10.00 H new ATOM 0 HA ASP A 28 0.870 -14.245 10.898 1.00 10.00 H new ATOM 0 HB2 ASP A 28 3.203 -13.404 10.451 1.00 10.00 H new ATOM 0 HB3 ASP A 28 2.570 -11.781 10.266 1.00 10.00 H new ATOM 339 N LEU A 29 -0.547 -11.619 9.754 1.00 10.00 N ATOM 340 CA LEU A 29 -1.549 -10.581 9.929 1.00 10.00 C ATOM 341 C LEU A 29 -2.956 -11.185 9.979 1.00 10.00 C ATOM 342 O LEU A 29 -3.152 -12.378 9.691 1.00 10.00 O ATOM 343 CB LEU A 29 -1.468 -9.607 8.751 1.00 10.00 C ATOM 344 CG LEU A 29 -0.086 -9.029 8.450 1.00 10.00 C ATOM 345 CD1 LEU A 29 -0.133 -8.178 7.194 1.00 10.00 C ATOM 346 CD2 LEU A 29 0.444 -8.228 9.629 1.00 10.00 C ATOM 0 H LEU A 29 -0.253 -11.747 8.786 1.00 10.00 H new ATOM 0 HA LEU A 29 -1.356 -10.063 10.869 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -1.828 -10.118 7.858 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -2.152 -8.780 8.942 1.00 10.00 H new ATOM 0 HG LEU A 29 0.601 -9.858 8.281 1.00 10.00 H new ATOM 0 HD11 LEU A 29 0.858 -7.773 6.992 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.453 -8.791 6.351 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -0.838 -7.359 7.336 1.00 10.00 H new ATOM 0 HD21 LEU A 29 1.429 -7.829 9.385 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -0.237 -7.405 9.845 1.00 10.00 H new ATOM 0 HD23 LEU A 29 0.521 -8.875 10.503 1.00 10.00 H new ATOM 358 N THR A 30 -3.902 -10.392 10.387 1.00 10.00 N ATOM 359 CA THR A 30 -5.291 -10.770 10.372 1.00 10.00 C ATOM 360 C THR A 30 -5.996 -10.063 9.260 1.00 10.00 C ATOM 361 O THR A 30 -5.422 -9.239 8.589 1.00 10.00 O ATOM 362 CB THR A 30 -6.009 -10.346 11.643 1.00 10.00 C ATOM 363 OG1 THR A 30 -5.768 -8.971 11.924 1.00 10.00 O ATOM 364 CG2 THR A 30 -5.639 -11.167 12.802 1.00 10.00 C ATOM 0 H THR A 30 -3.732 -9.452 10.745 1.00 10.00 H new ATOM 0 HA THR A 30 -5.313 -11.854 10.263 1.00 10.00 H new ATOM 0 HB THR A 30 -7.073 -10.498 11.463 1.00 10.00 H new ATOM 0 HG1 THR A 30 -6.240 -8.717 12.745 1.00 10.00 H new ATOM 0 HG21 THR A 30 -6.181 -10.820 13.682 1.00 10.00 H new ATOM 0 HG22 THR A 30 -5.894 -12.209 12.606 1.00 10.00 H new ATOM 0 HG23 THR A 30 -4.567 -11.083 12.980 1.00 10.00 H new ATOM 372 N LEU A 31 -7.245 -10.360 9.100 1.00 10.00 N ATOM 373 CA LEU A 31 -8.093 -9.639 8.193 1.00 10.00 C ATOM 374 C LEU A 31 -8.332 -8.282 8.744 1.00 10.00 C ATOM 375 O LEU A 31 -8.303 -7.311 8.001 1.00 10.00 O ATOM 376 CB LEU A 31 -9.397 -10.317 8.122 1.00 10.00 C ATOM 377 CG LEU A 31 -10.468 -9.726 7.202 1.00 10.00 C ATOM 378 CD1 LEU A 31 -10.087 -9.865 5.739 1.00 10.00 C ATOM 379 CD2 LEU A 31 -11.811 -10.369 7.489 1.00 10.00 C ATOM 0 H LEU A 31 -7.714 -11.116 9.598 1.00 10.00 H new ATOM 0 HA LEU A 31 -7.623 -9.589 7.211 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -9.221 -11.347 7.810 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -9.808 -10.355 9.131 1.00 10.00 H new ATOM 0 HG LEU A 31 -10.545 -8.658 7.407 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -10.871 -9.434 5.116 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -9.149 -9.341 5.556 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -9.967 -10.920 5.493 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -12.567 -9.942 6.830 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -11.744 -11.443 7.317 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -12.089 -10.184 8.527 1.00 10.00 H new ATOM 391 N ARG A 32 -8.511 -8.169 10.075 1.00 10.00 N ATOM 392 CA ARG A 32 -8.823 -6.855 10.585 1.00 10.00 C ATOM 393 C ARG A 32 -7.602 -5.988 10.490 1.00 10.00 C ATOM 394 O ARG A 32 -7.705 -4.800 10.438 1.00 10.00 O ATOM 395 CB ARG A 32 -9.452 -6.829 11.991 1.00 10.00 C ATOM 396 CG ARG A 32 -9.891 -5.414 12.424 1.00 10.00 C ATOM 397 CD ARG A 32 -10.961 -4.849 11.475 1.00 10.00 C ATOM 398 NE ARG A 32 -11.155 -3.386 11.599 1.00 10.00 N ATOM 399 CZ ARG A 32 -12.328 -2.789 11.851 1.00 10.00 C ATOM 400 NH1 ARG A 32 -13.328 -3.493 12.376 1.00 10.00 N ATOM 401 NH2 ARG A 32 -12.484 -1.484 11.628 1.00 10.00 N ATOM 0 H ARG A 32 -8.448 -8.922 10.760 1.00 10.00 H new ATOM 0 HA ARG A 32 -9.615 -6.453 9.953 1.00 10.00 H new ATOM 0 HB2 ARG A 32 -10.315 -7.494 12.010 1.00 10.00 H new ATOM 0 HB3 ARG A 32 -8.734 -7.218 12.713 1.00 10.00 H new ATOM 0 HG2 ARG A 32 -10.284 -5.447 13.440 1.00 10.00 H new ATOM 0 HG3 ARG A 32 -9.026 -4.750 12.438 1.00 10.00 H new ATOM 0 HD2 ARG A 32 -10.683 -5.084 10.448 1.00 10.00 H new ATOM 0 HD3 ARG A 32 -11.909 -5.350 11.671 1.00 10.00 H new ATOM 0 HE ARG A 32 -10.336 -2.789 11.484 1.00 10.00 H new ATOM 0 HH11 ARG A 32 -13.200 -4.483 12.585 1.00 10.00 H new ATOM 0 HH12 ARG A 32 -14.222 -3.042 12.569 1.00 10.00 H new ATOM 0 HH21 ARG A 32 -11.707 -0.933 11.263 1.00 10.00 H new ATOM 0 HH22 ARG A 32 -13.380 -1.037 11.822 1.00 10.00 H new ATOM 415 N ASP A 33 -6.458 -6.621 10.411 1.00 10.00 N ATOM 416 CA ASP A 33 -5.213 -5.945 10.184 1.00 10.00 C ATOM 417 C ASP A 33 -5.267 -5.237 8.838 1.00 10.00 C ATOM 418 O ASP A 33 -4.964 -4.046 8.769 1.00 10.00 O ATOM 419 CB ASP A 33 -4.075 -6.945 10.200 1.00 10.00 C ATOM 420 CG ASP A 33 -2.722 -6.325 10.363 1.00 10.00 C ATOM 421 OD1 ASP A 33 -2.218 -5.712 9.420 1.00 10.00 O ATOM 422 OD2 ASP A 33 -2.140 -6.451 11.481 1.00 10.00 O ATOM 0 H ASP A 33 -6.368 -7.633 10.504 1.00 10.00 H new ATOM 0 HA ASP A 33 -5.045 -5.211 10.972 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -4.239 -7.654 11.012 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -4.093 -7.515 9.271 1.00 10.00 H new ATOM 427 N LEU A 34 -5.773 -5.926 7.776 1.00 10.00 N ATOM 428 CA LEU A 34 -5.811 -5.265 6.427 1.00 10.00 C ATOM 429 C LEU A 34 -6.907 -4.251 6.399 1.00 10.00 C ATOM 430 O LEU A 34 -6.769 -3.155 5.833 1.00 10.00 O ATOM 431 CB LEU A 34 -6.027 -6.229 5.226 1.00 10.00 C ATOM 432 CG LEU A 34 -4.912 -7.216 4.846 1.00 10.00 C ATOM 433 CD1 LEU A 34 -3.582 -6.518 4.604 1.00 10.00 C ATOM 434 CD2 LEU A 34 -4.775 -8.257 5.886 1.00 10.00 C ATOM 0 H LEU A 34 -6.140 -6.877 7.812 1.00 10.00 H new ATOM 0 HA LEU A 34 -4.823 -4.821 6.303 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -6.925 -6.812 5.431 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -6.237 -5.618 4.348 1.00 10.00 H new ATOM 0 HG LEU A 34 -5.199 -7.687 3.906 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -2.826 -7.257 4.339 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -3.690 -5.801 3.790 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -3.275 -5.995 5.510 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -3.982 -8.950 5.605 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -4.527 -7.789 6.839 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -5.715 -8.801 5.982 1.00 10.00 H new ATOM 446 N LEU A 35 -7.989 -4.609 7.020 1.00 10.00 N ATOM 447 CA LEU A 35 -9.171 -3.762 7.063 1.00 10.00 C ATOM 448 C LEU A 35 -8.952 -2.547 7.953 1.00 10.00 C ATOM 449 O LEU A 35 -9.658 -1.570 7.872 1.00 10.00 O ATOM 450 CB LEU A 35 -10.425 -4.585 7.439 1.00 10.00 C ATOM 451 CG LEU A 35 -11.021 -5.488 6.312 1.00 10.00 C ATOM 452 CD1 LEU A 35 -11.708 -4.630 5.264 1.00 10.00 C ATOM 453 CD2 LEU A 35 -9.929 -6.318 5.630 1.00 10.00 C ATOM 0 H LEU A 35 -8.091 -5.495 7.516 1.00 10.00 H new ATOM 0 HA LEU A 35 -9.353 -3.366 6.064 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -10.176 -5.219 8.290 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -11.201 -3.895 7.771 1.00 10.00 H new ATOM 0 HG LEU A 35 -11.741 -6.162 6.776 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -12.120 -5.269 4.483 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -12.513 -4.062 5.730 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -10.985 -3.942 4.826 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -10.375 -6.936 4.851 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -9.189 -5.652 5.186 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -9.444 -6.958 6.367 1.00 10.00 H new ATOM 465 N ASP A 36 -7.972 -2.649 8.798 1.00 10.00 N ATOM 466 CA ASP A 36 -7.507 -1.527 9.628 1.00 10.00 C ATOM 467 C ASP A 36 -6.563 -0.652 8.822 1.00 10.00 C ATOM 468 O ASP A 36 -6.675 0.580 8.835 1.00 10.00 O ATOM 469 CB ASP A 36 -6.817 -2.030 10.889 1.00 10.00 C ATOM 470 CG ASP A 36 -6.299 -0.943 11.781 1.00 10.00 C ATOM 471 OD1 ASP A 36 -7.108 -0.345 12.537 1.00 10.00 O ATOM 472 OD2 ASP A 36 -5.081 -0.724 11.802 1.00 10.00 O ATOM 0 H ASP A 36 -7.452 -3.514 8.949 1.00 10.00 H new ATOM 0 HA ASP A 36 -8.372 -0.938 9.932 1.00 10.00 H new ATOM 0 HB2 ASP A 36 -7.519 -2.644 11.453 1.00 10.00 H new ATOM 0 HB3 ASP A 36 -5.987 -2.676 10.603 1.00 10.00 H new ATOM 477 N ILE A 37 -5.647 -1.320 8.093 1.00 10.00 N ATOM 478 CA ILE A 37 -4.672 -0.670 7.202 1.00 10.00 C ATOM 479 C ILE A 37 -5.374 0.280 6.247 1.00 10.00 C ATOM 480 O ILE A 37 -5.001 1.448 6.141 1.00 10.00 O ATOM 481 CB ILE A 37 -3.858 -1.734 6.381 1.00 10.00 C ATOM 482 CG1 ILE A 37 -2.803 -2.409 7.252 1.00 10.00 C ATOM 483 CG2 ILE A 37 -3.193 -1.120 5.138 1.00 10.00 C ATOM 484 CD1 ILE A 37 -2.352 -3.752 6.718 1.00 10.00 C ATOM 0 H ILE A 37 -5.564 -2.337 8.108 1.00 10.00 H new ATOM 0 HA ILE A 37 -3.979 -0.106 7.826 1.00 10.00 H new ATOM 0 HB ILE A 37 -4.574 -2.483 6.044 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -1.938 -1.751 7.337 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -3.203 -2.542 8.257 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -2.641 -1.892 4.602 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -3.959 -0.701 4.485 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -2.507 -0.331 5.445 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -1.602 -4.176 7.386 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -3.207 -4.426 6.659 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -1.922 -3.623 5.725 1.00 10.00 H new ATOM 496 N VAL A 38 -6.402 -0.224 5.567 1.00 10.00 N ATOM 497 CA VAL A 38 -7.173 0.589 4.622 1.00 10.00 C ATOM 498 C VAL A 38 -7.730 1.867 5.291 1.00 10.00 C ATOM 499 O VAL A 38 -7.565 2.972 4.756 1.00 10.00 O ATOM 500 CB VAL A 38 -8.302 -0.234 3.887 1.00 10.00 C ATOM 501 CG1 VAL A 38 -9.272 -0.861 4.857 1.00 10.00 C ATOM 502 CG2 VAL A 38 -9.060 0.616 2.883 1.00 10.00 C ATOM 0 H VAL A 38 -6.722 -1.189 5.651 1.00 10.00 H new ATOM 0 HA VAL A 38 -6.476 0.906 3.846 1.00 10.00 H new ATOM 0 HB VAL A 38 -7.789 -1.032 3.350 1.00 10.00 H new ATOM 0 HG11 VAL A 38 -10.030 -1.417 4.305 1.00 10.00 H new ATOM 0 HG12 VAL A 38 -8.736 -1.540 5.520 1.00 10.00 H new ATOM 0 HG13 VAL A 38 -9.752 -0.080 5.447 1.00 10.00 H new ATOM 0 HG21 VAL A 38 -9.827 0.011 2.400 1.00 10.00 H new ATOM 0 HG22 VAL A 38 -9.529 1.455 3.397 1.00 10.00 H new ATOM 0 HG23 VAL A 38 -8.368 0.993 2.130 1.00 10.00 H new ATOM 512 N GLU A 39 -8.280 1.715 6.502 1.00 10.00 N ATOM 513 CA GLU A 39 -8.869 2.827 7.243 1.00 10.00 C ATOM 514 C GLU A 39 -7.828 3.893 7.551 1.00 10.00 C ATOM 515 O GLU A 39 -7.993 5.057 7.180 1.00 10.00 O ATOM 516 CB GLU A 39 -9.489 2.360 8.565 1.00 10.00 C ATOM 517 CG GLU A 39 -10.562 1.304 8.440 1.00 10.00 C ATOM 518 CD GLU A 39 -11.227 1.006 9.766 1.00 10.00 C ATOM 519 OE1 GLU A 39 -10.640 0.299 10.624 1.00 10.00 O ATOM 520 OE2 GLU A 39 -12.352 1.498 9.997 1.00 10.00 O ATOM 0 H GLU A 39 -8.327 0.821 6.990 1.00 10.00 H new ATOM 0 HA GLU A 39 -9.649 3.244 6.606 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -8.694 1.973 9.203 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -9.913 3.226 9.074 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -11.314 1.636 7.724 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -10.124 0.389 8.041 1.00 10.00 H new ATOM 527 N THR A 40 -6.751 3.482 8.199 1.00 10.00 N ATOM 528 CA THR A 40 -5.730 4.411 8.638 1.00 10.00 C ATOM 529 C THR A 40 -4.972 5.050 7.433 1.00 10.00 C ATOM 530 O THR A 40 -4.674 6.254 7.445 1.00 10.00 O ATOM 531 CB THR A 40 -4.754 3.742 9.679 1.00 10.00 C ATOM 532 OG1 THR A 40 -3.929 4.719 10.305 1.00 10.00 O ATOM 533 CG2 THR A 40 -3.866 2.676 9.042 1.00 10.00 C ATOM 0 H THR A 40 -6.563 2.507 8.432 1.00 10.00 H new ATOM 0 HA THR A 40 -6.229 5.230 9.156 1.00 10.00 H new ATOM 0 HB THR A 40 -5.387 3.260 10.424 1.00 10.00 H new ATOM 0 HG1 THR A 40 -3.333 4.281 10.948 1.00 10.00 H new ATOM 0 HG21 THR A 40 -3.212 2.246 9.801 1.00 10.00 H new ATOM 0 HG22 THR A 40 -4.490 1.892 8.613 1.00 10.00 H new ATOM 0 HG23 THR A 40 -3.261 3.128 8.256 1.00 10.00 H new ATOM 541 N SER A 41 -4.757 4.268 6.370 1.00 10.00 N ATOM 542 CA SER A 41 -4.024 4.732 5.207 1.00 10.00 C ATOM 543 C SER A 41 -4.780 5.872 4.504 1.00 10.00 C ATOM 544 O SER A 41 -4.208 6.923 4.245 1.00 10.00 O ATOM 545 CB SER A 41 -3.758 3.560 4.243 1.00 10.00 C ATOM 546 OG SER A 41 -2.859 3.917 3.212 1.00 10.00 O ATOM 0 H SER A 41 -5.086 3.305 6.300 1.00 10.00 H new ATOM 0 HA SER A 41 -3.063 5.128 5.535 1.00 10.00 H new ATOM 0 HB2 SER A 41 -3.353 2.716 4.801 1.00 10.00 H new ATOM 0 HB3 SER A 41 -4.700 3.230 3.805 1.00 10.00 H new ATOM 0 HG SER A 41 -3.204 3.597 2.352 1.00 10.00 H new ATOM 552 N GLN A 42 -6.077 5.666 4.252 1.00 10.00 N ATOM 553 CA GLN A 42 -6.923 6.678 3.577 1.00 10.00 C ATOM 554 C GLN A 42 -6.967 7.952 4.345 1.00 10.00 C ATOM 555 O GLN A 42 -6.791 9.029 3.791 1.00 10.00 O ATOM 556 CB GLN A 42 -8.341 6.175 3.459 1.00 10.00 C ATOM 557 CG GLN A 42 -8.488 5.049 2.504 1.00 10.00 C ATOM 558 CD GLN A 42 -9.763 4.281 2.652 1.00 10.00 C ATOM 559 OE1 GLN A 42 -10.291 3.729 1.680 1.00 10.00 O ATOM 560 NE2 GLN A 42 -10.276 4.217 3.843 1.00 10.00 N ATOM 0 H GLN A 42 -6.572 4.810 4.502 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.485 6.854 2.595 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.689 5.856 4.442 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -8.985 6.996 3.144 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.428 5.439 1.488 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -7.649 4.366 2.633 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -9.814 4.684 4.623 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -11.141 3.699 3.999 1.00 10.00 H new ATOM 569 N ALA A 43 -7.182 7.811 5.616 1.00 10.00 N ATOM 570 CA ALA A 43 -7.365 8.915 6.499 1.00 10.00 C ATOM 571 C ALA A 43 -6.112 9.785 6.599 1.00 10.00 C ATOM 572 O ALA A 43 -6.197 11.018 6.537 1.00 10.00 O ATOM 573 CB ALA A 43 -7.833 8.383 7.831 1.00 10.00 C ATOM 0 H ALA A 43 -7.236 6.903 6.077 1.00 10.00 H new ATOM 0 HA ALA A 43 -8.130 9.584 6.105 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -7.979 9.212 8.523 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -8.774 7.850 7.699 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -7.084 7.702 8.234 1.00 10.00 H new ATOM 579 N HIS A 44 -4.956 9.158 6.693 1.00 10.00 N ATOM 580 CA HIS A 44 -3.710 9.901 6.749 1.00 10.00 C ATOM 581 C HIS A 44 -3.392 10.446 5.366 1.00 10.00 C ATOM 582 O HIS A 44 -2.910 11.546 5.246 1.00 10.00 O ATOM 583 CB HIS A 44 -2.568 9.017 7.248 1.00 10.00 C ATOM 584 CG HIS A 44 -1.280 9.747 7.605 1.00 10.00 C ATOM 585 ND1 HIS A 44 -0.933 10.041 8.898 1.00 10.00 N ATOM 586 CD2 HIS A 44 -0.242 10.199 6.841 1.00 10.00 C ATOM 587 CE1 HIS A 44 0.234 10.630 8.928 1.00 10.00 C ATOM 588 NE2 HIS A 44 0.680 10.743 7.704 1.00 10.00 N ATOM 0 H HIS A 44 -4.852 8.144 6.732 1.00 10.00 H new ATOM 0 HA HIS A 44 -3.821 10.727 7.451 1.00 10.00 H new ATOM 0 HB2 HIS A 44 -2.912 8.472 8.127 1.00 10.00 H new ATOM 0 HB3 HIS A 44 -2.344 8.276 6.481 1.00 10.00 H new ATOM 0 HD2 HIS A 44 -0.161 10.140 5.766 1.00 10.00 H new ATOM 0 HE1 HIS A 44 0.745 10.968 9.817 1.00 10.00 H new ATOM 0 HE2 HIS A 44 1.568 11.166 7.433 1.00 10.00 H new ATOM 597 N ASN A 45 -3.681 9.672 4.331 1.00 10.00 N ATOM 598 CA ASN A 45 -3.428 10.105 2.947 1.00 10.00 C ATOM 599 C ASN A 45 -4.235 11.287 2.548 1.00 10.00 C ATOM 600 O ASN A 45 -3.701 12.219 1.978 1.00 10.00 O ATOM 601 CB ASN A 45 -3.568 8.977 1.926 1.00 10.00 C ATOM 602 CG ASN A 45 -2.263 8.256 1.724 1.00 10.00 C ATOM 603 OD1 ASN A 45 -1.435 8.228 2.605 1.00 10.00 O ATOM 604 ND2 ASN A 45 -2.048 7.714 0.556 1.00 10.00 N ATOM 0 H ASN A 45 -4.090 8.741 4.413 1.00 10.00 H new ATOM 0 HA ASN A 45 -2.382 10.412 2.943 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -4.327 8.271 2.263 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -3.911 9.385 0.975 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -1.160 7.249 0.365 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -2.768 7.755 -0.166 1.00 10.00 H new ATOM 611 N ALA A 46 -5.516 11.279 2.880 1.00 10.00 N ATOM 612 CA ALA A 46 -6.389 12.402 2.574 1.00 10.00 C ATOM 613 C ALA A 46 -5.856 13.655 3.248 1.00 10.00 C ATOM 614 O ALA A 46 -5.811 14.729 2.657 1.00 10.00 O ATOM 615 CB ALA A 46 -7.809 12.119 3.044 1.00 10.00 C ATOM 0 H ALA A 46 -5.975 10.506 3.362 1.00 10.00 H new ATOM 0 HA ALA A 46 -6.409 12.551 1.494 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -8.447 12.970 2.807 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -8.188 11.229 2.541 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -7.810 11.955 4.122 1.00 10.00 H new ATOM 621 N ARG A 47 -5.395 13.480 4.464 1.00 10.00 N ATOM 622 CA ARG A 47 -4.851 14.562 5.240 1.00 10.00 C ATOM 623 C ARG A 47 -3.513 15.023 4.671 1.00 10.00 C ATOM 624 O ARG A 47 -3.285 16.221 4.466 1.00 10.00 O ATOM 625 CB ARG A 47 -4.667 14.092 6.653 1.00 10.00 C ATOM 626 CG ARG A 47 -4.378 15.185 7.650 1.00 10.00 C ATOM 627 CD ARG A 47 -4.466 14.635 9.053 1.00 10.00 C ATOM 628 NE ARG A 47 -5.819 14.111 9.336 1.00 10.00 N ATOM 629 CZ ARG A 47 -6.134 13.228 10.294 1.00 10.00 C ATOM 630 NH1 ARG A 47 -5.213 12.800 11.149 1.00 10.00 N ATOM 631 NH2 ARG A 47 -7.382 12.796 10.403 1.00 10.00 N ATOM 0 H ARG A 47 -5.388 12.579 4.942 1.00 10.00 H new ATOM 0 HA ARG A 47 -5.539 15.407 5.208 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -5.568 13.563 6.965 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -3.850 13.371 6.678 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -3.385 15.598 7.473 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -5.089 16.001 7.525 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -3.731 13.841 9.182 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -4.219 15.418 9.770 1.00 10.00 H new ATOM 0 HE ARG A 47 -6.581 14.452 8.750 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -4.255 13.143 11.081 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -5.463 12.128 11.874 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -8.097 13.135 9.760 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -7.627 12.124 11.130 1.00 10.00 H new ATOM 645 N ALA A 48 -2.648 14.071 4.393 1.00 10.00 N ATOM 646 CA ALA A 48 -1.325 14.358 3.905 1.00 10.00 C ATOM 647 C ALA A 48 -1.313 14.769 2.437 1.00 10.00 C ATOM 648 O ALA A 48 -0.272 15.170 1.918 1.00 10.00 O ATOM 649 CB ALA A 48 -0.388 13.194 4.150 1.00 10.00 C ATOM 0 H ALA A 48 -2.847 13.076 4.501 1.00 10.00 H new ATOM 0 HA ALA A 48 -0.965 15.216 4.473 1.00 10.00 H new ATOM 0 HB1 ALA A 48 0.604 13.439 3.771 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -0.328 12.994 5.220 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.764 12.310 3.636 1.00 10.00 H new ATOM 655 N GLN A 49 -2.487 14.675 1.777 1.00 10.00 N ATOM 656 CA GLN A 49 -2.687 15.059 0.353 1.00 10.00 C ATOM 657 C GLN A 49 -2.014 14.041 -0.560 1.00 10.00 C ATOM 658 O GLN A 49 -1.709 14.300 -1.734 1.00 10.00 O ATOM 659 CB GLN A 49 -2.193 16.485 0.108 1.00 10.00 C ATOM 660 CG GLN A 49 -2.846 17.465 1.007 1.00 10.00 C ATOM 661 CD GLN A 49 -1.842 18.336 1.738 1.00 10.00 C ATOM 662 OE1 GLN A 49 -1.445 19.401 1.261 1.00 10.00 O ATOM 663 NE2 GLN A 49 -1.445 17.904 2.908 1.00 10.00 N ATOM 0 H GLN A 49 -3.337 14.326 2.219 1.00 10.00 H new ATOM 0 HA GLN A 49 -3.752 15.051 0.119 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.113 16.524 0.254 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -2.385 16.761 -0.929 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.516 18.098 0.425 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.460 16.934 1.734 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -1.796 17.017 3.270 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -0.785 18.454 3.458 1.00 10.00 H new ATOM 672 N LEU A 50 -1.838 12.886 0.007 1.00 10.00 N ATOM 673 CA LEU A 50 -1.264 11.727 -0.614 1.00 10.00 C ATOM 674 C LEU A 50 -2.315 10.902 -1.324 1.00 10.00 C ATOM 675 O LEU A 50 -3.392 10.638 -0.789 1.00 10.00 O ATOM 676 CB LEU A 50 -0.586 10.875 0.448 1.00 10.00 C ATOM 677 CG LEU A 50 0.884 11.134 0.702 1.00 10.00 C ATOM 678 CD1 LEU A 50 1.169 12.585 0.979 1.00 10.00 C ATOM 679 CD2 LEU A 50 1.410 10.255 1.820 1.00 10.00 C ATOM 0 H LEU A 50 -2.108 12.716 0.976 1.00 10.00 H new ATOM 0 HA LEU A 50 -0.537 12.060 -1.355 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -1.122 11.014 1.387 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -0.702 9.828 0.167 1.00 10.00 H new ATOM 0 HG LEU A 50 1.413 10.874 -0.215 1.00 10.00 H new ATOM 0 HD11 LEU A 50 2.236 12.719 1.155 1.00 10.00 H new ATOM 0 HD12 LEU A 50 0.864 13.186 0.122 1.00 10.00 H new ATOM 0 HD13 LEU A 50 0.613 12.903 1.861 1.00 10.00 H new ATOM 0 HD21 LEU A 50 2.468 10.463 1.980 1.00 10.00 H new ATOM 0 HD22 LEU A 50 0.857 10.462 2.736 1.00 10.00 H new ATOM 0 HD23 LEU A 50 1.284 9.207 1.549 1.00 10.00 H new ATOM 691 N THR A 51 -2.008 10.504 -2.513 1.00 10.00 N ATOM 692 CA THR A 51 -2.867 9.711 -3.302 1.00 10.00 C ATOM 693 C THR A 51 -2.218 8.355 -3.533 1.00 10.00 C ATOM 694 O THR A 51 -1.039 8.202 -3.278 1.00 10.00 O ATOM 695 CB THR A 51 -3.227 10.486 -4.560 1.00 10.00 C ATOM 696 OG1 THR A 51 -2.054 10.869 -5.241 1.00 10.00 O ATOM 697 CG2 THR A 51 -3.916 11.737 -4.112 1.00 10.00 C ATOM 0 H THR A 51 -1.125 10.732 -2.969 1.00 10.00 H new ATOM 0 HA THR A 51 -3.813 9.497 -2.805 1.00 10.00 H new ATOM 0 HB THR A 51 -3.848 9.876 -5.216 1.00 10.00 H new ATOM 0 HG1 THR A 51 -1.673 11.665 -4.814 1.00 10.00 H new ATOM 0 HG21 THR A 51 -4.196 12.330 -4.983 1.00 10.00 H new ATOM 0 HG22 THR A 51 -4.811 11.477 -3.547 1.00 10.00 H new ATOM 0 HG23 THR A 51 -3.243 12.316 -3.479 1.00 10.00 H new ATOM 705 N GLY A 52 -2.972 7.361 -3.898 1.00 10.00 N ATOM 706 CA GLY A 52 -2.429 6.035 -3.866 1.00 10.00 C ATOM 707 C GLY A 52 -3.269 5.022 -4.554 1.00 10.00 C ATOM 708 O GLY A 52 -4.345 5.325 -5.081 1.00 10.00 O ATOM 0 H GLY A 52 -3.939 7.437 -4.213 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -1.441 6.047 -4.327 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -2.293 5.734 -2.827 1.00 10.00 H new ATOM 712 N ALA A 53 -2.773 3.841 -4.561 1.00 10.00 N ATOM 713 CA ALA A 53 -3.459 2.665 -5.045 1.00 10.00 C ATOM 714 C ALA A 53 -2.595 1.472 -4.739 1.00 10.00 C ATOM 715 O ALA A 53 -1.413 1.641 -4.416 1.00 10.00 O ATOM 716 CB ALA A 53 -3.806 2.749 -6.527 1.00 10.00 C ATOM 0 H ALA A 53 -1.834 3.641 -4.217 1.00 10.00 H new ATOM 0 HA ALA A 53 -4.420 2.576 -4.538 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -4.320 1.837 -6.833 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -4.455 3.607 -6.701 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -2.891 2.863 -7.109 1.00 10.00 H new ATOM 722 N LEU A 54 -3.152 0.301 -4.786 1.00 10.00 N ATOM 723 CA LEU A 54 -2.382 -0.874 -4.516 1.00 10.00 C ATOM 724 C LEU A 54 -2.980 -2.073 -5.175 1.00 10.00 C ATOM 725 O LEU A 54 -4.186 -2.103 -5.468 1.00 10.00 O ATOM 726 CB LEU A 54 -2.166 -1.087 -2.990 1.00 10.00 C ATOM 727 CG LEU A 54 -3.392 -1.322 -2.075 1.00 10.00 C ATOM 728 CD1 LEU A 54 -3.974 -2.721 -2.235 1.00 10.00 C ATOM 729 CD2 LEU A 54 -3.019 -1.069 -0.633 1.00 10.00 C ATOM 0 H LEU A 54 -4.133 0.134 -5.008 1.00 10.00 H new ATOM 0 HA LEU A 54 -1.393 -0.727 -4.950 1.00 10.00 H new ATOM 0 HB2 LEU A 54 -1.500 -1.941 -2.870 1.00 10.00 H new ATOM 0 HB3 LEU A 54 -1.636 -0.214 -2.609 1.00 10.00 H new ATOM 0 HG LEU A 54 -4.166 -0.617 -2.379 1.00 10.00 H new ATOM 0 HD11 LEU A 54 -4.832 -2.836 -1.572 1.00 10.00 H new ATOM 0 HD12 LEU A 54 -4.291 -2.867 -3.268 1.00 10.00 H new ATOM 0 HD13 LEU A 54 -3.216 -3.462 -1.980 1.00 10.00 H new ATOM 0 HD21 LEU A 54 -3.888 -1.237 0.003 1.00 10.00 H new ATOM 0 HD22 LEU A 54 -2.218 -1.748 -0.340 1.00 10.00 H new ATOM 0 HD23 LEU A 54 -2.681 -0.039 -0.520 1.00 10.00 H new ATOM 741 N PHE A 55 -2.155 -3.040 -5.417 1.00 10.00 N ATOM 742 CA PHE A 55 -2.560 -4.264 -6.022 1.00 10.00 C ATOM 743 C PHE A 55 -2.208 -5.372 -5.043 1.00 10.00 C ATOM 744 O PHE A 55 -1.033 -5.607 -4.758 1.00 10.00 O ATOM 745 CB PHE A 55 -1.818 -4.512 -7.365 1.00 10.00 C ATOM 746 CG PHE A 55 -1.742 -3.323 -8.322 1.00 10.00 C ATOM 747 CD1 PHE A 55 -2.765 -2.383 -8.409 1.00 10.00 C ATOM 748 CD2 PHE A 55 -0.620 -3.149 -9.120 1.00 10.00 C ATOM 749 CE1 PHE A 55 -2.666 -1.302 -9.265 1.00 10.00 C ATOM 750 CE2 PHE A 55 -0.520 -2.073 -9.981 1.00 10.00 C ATOM 751 CZ PHE A 55 -1.540 -1.149 -10.051 1.00 10.00 C ATOM 0 H PHE A 55 -1.160 -2.998 -5.194 1.00 10.00 H new ATOM 0 HA PHE A 55 -3.627 -4.233 -6.242 1.00 10.00 H new ATOM 0 HB2 PHE A 55 -0.802 -4.837 -7.140 1.00 10.00 H new ATOM 0 HB3 PHE A 55 -2.310 -5.337 -7.881 1.00 10.00 H new ATOM 0 HD1 PHE A 55 -3.649 -2.500 -7.799 1.00 10.00 H new ATOM 0 HD2 PHE A 55 0.187 -3.865 -9.067 1.00 10.00 H new ATOM 0 HE1 PHE A 55 -3.467 -0.579 -9.319 1.00 10.00 H new ATOM 0 HE2 PHE A 55 0.358 -1.956 -10.599 1.00 10.00 H new ATOM 0 HZ PHE A 55 -1.459 -0.305 -10.720 1.00 10.00 H new ATOM 761 N TYR A 56 -3.197 -5.994 -4.497 1.00 10.00 N ATOM 762 CA TYR A 56 -2.999 -7.074 -3.553 1.00 10.00 C ATOM 763 C TYR A 56 -3.778 -8.250 -4.096 1.00 10.00 C ATOM 764 O TYR A 56 -4.990 -8.134 -4.311 1.00 10.00 O ATOM 765 CB TYR A 56 -3.555 -6.670 -2.143 1.00 10.00 C ATOM 766 CG TYR A 56 -3.361 -7.700 -0.993 1.00 10.00 C ATOM 767 CD1 TYR A 56 -3.700 -9.050 -1.128 1.00 10.00 C ATOM 768 CD2 TYR A 56 -2.864 -7.294 0.231 1.00 10.00 C ATOM 769 CE1 TYR A 56 -3.534 -9.947 -0.090 1.00 10.00 C ATOM 770 CE2 TYR A 56 -2.695 -8.187 1.277 1.00 10.00 C ATOM 771 CZ TYR A 56 -3.030 -9.512 1.109 1.00 10.00 C ATOM 772 OH TYR A 56 -2.856 -10.410 2.148 1.00 10.00 O ATOM 0 H TYR A 56 -4.176 -5.777 -4.685 1.00 10.00 H new ATOM 0 HA TYR A 56 -1.942 -7.311 -3.435 1.00 10.00 H new ATOM 0 HB2 TYR A 56 -3.081 -5.735 -1.846 1.00 10.00 H new ATOM 0 HB3 TYR A 56 -4.622 -6.469 -2.243 1.00 10.00 H new ATOM 0 HD1 TYR A 56 -4.102 -9.400 -2.067 1.00 10.00 H new ATOM 0 HD2 TYR A 56 -2.601 -6.256 0.376 1.00 10.00 H new ATOM 0 HE1 TYR A 56 -3.800 -10.985 -0.222 1.00 10.00 H new ATOM 0 HE2 TYR A 56 -2.301 -7.844 2.222 1.00 10.00 H new ATOM 0 HH TYR A 56 -2.489 -9.942 2.927 1.00 10.00 H new ATOM 782 N SER A 57 -3.122 -9.344 -4.367 1.00 10.00 N ATOM 783 CA SER A 57 -3.767 -10.530 -4.848 1.00 10.00 C ATOM 784 C SER A 57 -2.864 -11.686 -4.541 1.00 10.00 C ATOM 785 O SER A 57 -1.650 -11.507 -4.500 1.00 10.00 O ATOM 786 CB SER A 57 -4.040 -10.437 -6.367 1.00 10.00 C ATOM 787 OG SER A 57 -4.942 -9.357 -6.675 1.00 10.00 O ATOM 0 H SER A 57 -2.112 -9.436 -4.258 1.00 10.00 H new ATOM 0 HA SER A 57 -4.733 -10.658 -4.360 1.00 10.00 H new ATOM 0 HB2 SER A 57 -3.100 -10.290 -6.899 1.00 10.00 H new ATOM 0 HB3 SER A 57 -4.463 -11.378 -6.720 1.00 10.00 H new ATOM 0 HG SER A 57 -5.317 -8.997 -5.844 1.00 10.00 H new ATOM 793 N GLN A 58 -3.447 -12.829 -4.200 1.00 10.00 N ATOM 794 CA GLN A 58 -2.712 -14.076 -3.959 1.00 10.00 C ATOM 795 C GLN A 58 -1.820 -14.061 -2.712 1.00 10.00 C ATOM 796 O GLN A 58 -1.211 -15.084 -2.364 1.00 10.00 O ATOM 797 CB GLN A 58 -1.911 -14.469 -5.200 1.00 10.00 C ATOM 798 CG GLN A 58 -2.764 -14.922 -6.383 1.00 10.00 C ATOM 799 CD GLN A 58 -3.556 -16.210 -6.131 1.00 10.00 C ATOM 800 OE1 GLN A 58 -3.938 -16.524 -5.002 1.00 10.00 O ATOM 801 NE2 GLN A 58 -3.818 -16.951 -7.179 1.00 10.00 N ATOM 0 H GLN A 58 -4.456 -12.923 -4.080 1.00 10.00 H new ATOM 0 HA GLN A 58 -3.471 -14.832 -3.755 1.00 10.00 H new ATOM 0 HB2 GLN A 58 -1.304 -13.619 -5.510 1.00 10.00 H new ATOM 0 HB3 GLN A 58 -1.223 -15.272 -4.935 1.00 10.00 H new ATOM 0 HG2 GLN A 58 -3.461 -14.125 -6.640 1.00 10.00 H new ATOM 0 HG3 GLN A 58 -2.117 -15.070 -7.247 1.00 10.00 H new ATOM 0 HE21 GLN A 58 -3.488 -16.665 -8.101 1.00 10.00 H new ATOM 0 HE22 GLN A 58 -4.352 -17.814 -7.073 1.00 10.00 H new ATOM 810 N GLY A 59 -1.772 -12.937 -2.035 1.00 10.00 N ATOM 811 CA GLY A 59 -0.935 -12.795 -0.875 1.00 10.00 C ATOM 812 C GLY A 59 0.200 -11.830 -1.124 1.00 10.00 C ATOM 813 O GLY A 59 0.920 -11.457 -0.205 1.00 10.00 O ATOM 0 H GLY A 59 -2.309 -12.103 -2.274 1.00 10.00 H new ATOM 0 HA2 GLY A 59 -1.534 -12.445 -0.034 1.00 10.00 H new ATOM 0 HA3 GLY A 59 -0.531 -13.768 -0.595 1.00 10.00 H new ATOM 817 N VAL A 60 0.370 -11.411 -2.366 1.00 10.00 N ATOM 818 CA VAL A 60 1.439 -10.484 -2.678 1.00 10.00 C ATOM 819 C VAL A 60 0.928 -9.048 -2.640 1.00 10.00 C ATOM 820 O VAL A 60 -0.214 -8.760 -3.042 1.00 10.00 O ATOM 821 CB VAL A 60 2.155 -10.787 -4.044 1.00 10.00 C ATOM 822 CG1 VAL A 60 2.673 -12.218 -4.084 1.00 10.00 C ATOM 823 CG2 VAL A 60 1.266 -10.502 -5.250 1.00 10.00 C ATOM 0 H VAL A 60 -0.206 -11.692 -3.159 1.00 10.00 H new ATOM 0 HA VAL A 60 2.197 -10.618 -1.906 1.00 10.00 H new ATOM 0 HB VAL A 60 3.004 -10.106 -4.107 1.00 10.00 H new ATOM 0 HG11 VAL A 60 3.164 -12.401 -5.040 1.00 10.00 H new ATOM 0 HG12 VAL A 60 3.387 -12.369 -3.275 1.00 10.00 H new ATOM 0 HG13 VAL A 60 1.839 -12.910 -3.966 1.00 10.00 H new ATOM 0 HG21 VAL A 60 1.812 -10.729 -6.166 1.00 10.00 H new ATOM 0 HG22 VAL A 60 0.371 -11.123 -5.197 1.00 10.00 H new ATOM 0 HG23 VAL A 60 0.979 -9.451 -5.250 1.00 10.00 H new ATOM 833 N PHE A 61 1.730 -8.179 -2.086 1.00 10.00 N ATOM 834 CA PHE A 61 1.427 -6.761 -2.016 1.00 10.00 C ATOM 835 C PHE A 61 2.211 -5.964 -3.053 1.00 10.00 C ATOM 836 O PHE A 61 3.434 -6.110 -3.160 1.00 10.00 O ATOM 837 CB PHE A 61 1.910 -6.221 -0.696 1.00 10.00 C ATOM 838 CG PHE A 61 0.917 -5.828 0.323 1.00 10.00 C ATOM 839 CD1 PHE A 61 -0.164 -5.033 0.005 1.00 10.00 C ATOM 840 CD2 PHE A 61 1.112 -6.208 1.633 1.00 10.00 C ATOM 841 CE1 PHE A 61 -1.036 -4.636 0.990 1.00 10.00 C ATOM 842 CE2 PHE A 61 0.262 -5.807 2.618 1.00 10.00 C ATOM 843 CZ PHE A 61 -0.812 -5.022 2.299 1.00 10.00 C ATOM 0 H PHE A 61 2.624 -8.431 -1.664 1.00 10.00 H new ATOM 0 HA PHE A 61 0.352 -6.663 -2.169 1.00 10.00 H new ATOM 0 HB2 PHE A 61 2.559 -6.975 -0.250 1.00 10.00 H new ATOM 0 HB3 PHE A 61 2.530 -5.349 -0.904 1.00 10.00 H new ATOM 0 HD1 PHE A 61 -0.325 -4.723 -1.017 1.00 10.00 H new ATOM 0 HD2 PHE A 61 1.955 -6.836 1.883 1.00 10.00 H new ATOM 0 HE1 PHE A 61 -1.892 -4.026 0.743 1.00 10.00 H new ATOM 0 HE2 PHE A 61 0.434 -6.106 3.641 1.00 10.00 H new ATOM 0 HZ PHE A 61 -1.490 -4.701 3.076 1.00 10.00 H new ATOM 853 N PHE A 62 1.533 -5.142 -3.783 1.00 10.00 N ATOM 854 CA PHE A 62 2.170 -4.103 -4.548 1.00 10.00 C ATOM 855 C PHE A 62 1.470 -2.829 -4.152 1.00 10.00 C ATOM 856 O PHE A 62 0.284 -2.703 -4.360 1.00 10.00 O ATOM 857 CB PHE A 62 2.082 -4.317 -6.063 1.00 10.00 C ATOM 858 CG PHE A 62 2.847 -3.279 -6.860 1.00 10.00 C ATOM 859 CD1 PHE A 62 2.239 -2.095 -7.271 1.00 10.00 C ATOM 860 CD2 PHE A 62 4.178 -3.487 -7.189 1.00 10.00 C ATOM 861 CE1 PHE A 62 2.941 -1.147 -7.989 1.00 10.00 C ATOM 862 CE2 PHE A 62 4.885 -2.539 -7.908 1.00 10.00 C ATOM 863 CZ PHE A 62 4.264 -1.369 -8.308 1.00 10.00 C ATOM 0 H PHE A 62 0.517 -5.166 -3.871 1.00 10.00 H new ATOM 0 HA PHE A 62 3.238 -4.085 -4.333 1.00 10.00 H new ATOM 0 HB2 PHE A 62 2.466 -5.308 -6.306 1.00 10.00 H new ATOM 0 HB3 PHE A 62 1.035 -4.298 -6.366 1.00 10.00 H new ATOM 0 HD1 PHE A 62 1.203 -1.916 -7.024 1.00 10.00 H new ATOM 0 HD2 PHE A 62 4.668 -4.399 -6.881 1.00 10.00 H new ATOM 0 HE1 PHE A 62 2.455 -0.234 -8.300 1.00 10.00 H new ATOM 0 HE2 PHE A 62 5.922 -2.712 -8.157 1.00 10.00 H new ATOM 0 HZ PHE A 62 4.815 -0.630 -8.870 1.00 10.00 H new ATOM 873 N GLN A 63 2.171 -1.914 -3.574 1.00 10.00 N ATOM 874 CA GLN A 63 1.537 -0.744 -3.016 1.00 10.00 C ATOM 875 C GLN A 63 2.375 0.456 -3.357 1.00 10.00 C ATOM 876 O GLN A 63 3.589 0.438 -3.129 1.00 10.00 O ATOM 877 CB GLN A 63 1.485 -0.938 -1.485 1.00 10.00 C ATOM 878 CG GLN A 63 0.436 -0.138 -0.698 1.00 10.00 C ATOM 879 CD GLN A 63 0.589 1.382 -0.667 1.00 10.00 C ATOM 880 OE1 GLN A 63 -0.390 2.096 -0.577 1.00 10.00 O ATOM 881 NE2 GLN A 63 1.797 1.886 -0.707 1.00 10.00 N ATOM 0 H GLN A 63 3.185 -1.943 -3.470 1.00 10.00 H new ATOM 0 HA GLN A 63 0.531 -0.600 -3.411 1.00 10.00 H new ATOM 0 HB2 GLN A 63 1.317 -1.997 -1.287 1.00 10.00 H new ATOM 0 HB3 GLN A 63 2.467 -0.690 -1.082 1.00 10.00 H new ATOM 0 HG2 GLN A 63 -0.545 -0.369 -1.113 1.00 10.00 H new ATOM 0 HG3 GLN A 63 0.440 -0.498 0.331 1.00 10.00 H new ATOM 0 HE21 GLN A 63 2.605 1.268 -0.783 1.00 10.00 H new ATOM 0 HE22 GLN A 63 1.930 2.896 -0.662 1.00 10.00 H new ATOM 890 N TRP A 64 1.774 1.491 -3.880 1.00 10.00 N ATOM 891 CA TRP A 64 2.524 2.669 -4.140 1.00 10.00 C ATOM 892 C TRP A 64 1.697 3.892 -3.785 1.00 10.00 C ATOM 893 O TRP A 64 0.463 3.820 -3.711 1.00 10.00 O ATOM 894 CB TRP A 64 3.039 2.708 -5.589 1.00 10.00 C ATOM 895 CG TRP A 64 2.180 3.310 -6.634 1.00 10.00 C ATOM 896 CD1 TRP A 64 2.442 4.477 -7.261 1.00 10.00 C ATOM 897 CD2 TRP A 64 0.960 2.816 -7.198 1.00 10.00 C ATOM 898 NE1 TRP A 64 1.501 4.741 -8.180 1.00 10.00 N ATOM 899 CE2 TRP A 64 0.570 3.748 -8.170 1.00 10.00 C ATOM 900 CE3 TRP A 64 0.161 1.691 -6.991 1.00 10.00 C ATOM 901 CZ2 TRP A 64 -0.569 3.595 -8.934 1.00 10.00 C ATOM 902 CZ3 TRP A 64 -0.984 1.550 -7.750 1.00 10.00 C ATOM 903 CH2 TRP A 64 -1.334 2.500 -8.709 1.00 10.00 C ATOM 0 H TRP A 64 0.785 1.535 -4.127 1.00 10.00 H new ATOM 0 HA TRP A 64 3.412 2.667 -3.508 1.00 10.00 H new ATOM 0 HB2 TRP A 64 3.986 3.248 -5.589 1.00 10.00 H new ATOM 0 HB3 TRP A 64 3.256 1.683 -5.890 1.00 10.00 H new ATOM 0 HD1 TRP A 64 3.292 5.110 -7.052 1.00 10.00 H new ATOM 0 HE1 TRP A 64 1.486 5.558 -8.791 1.00 10.00 H new ATOM 0 HE3 TRP A 64 0.432 0.948 -6.255 1.00 10.00 H new ATOM 0 HZ2 TRP A 64 -0.841 4.322 -9.685 1.00 10.00 H new ATOM 0 HZ3 TRP A 64 -1.619 0.690 -7.598 1.00 10.00 H new ATOM 0 HH2 TRP A 64 -2.236 2.359 -9.286 1.00 10.00 H new ATOM 914 N LEU A 65 2.353 4.992 -3.554 1.00 10.00 N ATOM 915 CA LEU A 65 1.671 6.194 -3.156 1.00 10.00 C ATOM 916 C LEU A 65 2.282 7.405 -3.816 1.00 10.00 C ATOM 917 O LEU A 65 3.472 7.411 -4.144 1.00 10.00 O ATOM 918 CB LEU A 65 1.665 6.379 -1.623 1.00 10.00 C ATOM 919 CG LEU A 65 3.022 6.578 -0.945 1.00 10.00 C ATOM 920 CD1 LEU A 65 2.824 7.144 0.438 1.00 10.00 C ATOM 921 CD2 LEU A 65 3.817 5.274 -0.844 1.00 10.00 C ATOM 0 H LEU A 65 3.366 5.084 -3.634 1.00 10.00 H new ATOM 0 HA LEU A 65 0.637 6.091 -3.485 1.00 10.00 H new ATOM 0 HB2 LEU A 65 1.039 7.239 -1.387 1.00 10.00 H new ATOM 0 HB3 LEU A 65 1.188 5.506 -1.178 1.00 10.00 H new ATOM 0 HG LEU A 65 3.592 7.272 -1.563 1.00 10.00 H new ATOM 0 HD11 LEU A 65 3.793 7.284 0.916 1.00 10.00 H new ATOM 0 HD12 LEU A 65 2.312 8.104 0.368 1.00 10.00 H new ATOM 0 HD13 LEU A 65 2.223 6.454 1.031 1.00 10.00 H new ATOM 0 HD21 LEU A 65 4.772 5.467 -0.356 1.00 10.00 H new ATOM 0 HD22 LEU A 65 3.252 4.547 -0.261 1.00 10.00 H new ATOM 0 HD23 LEU A 65 3.994 4.878 -1.844 1.00 10.00 H new ATOM 933 N GLU A 66 1.473 8.402 -4.009 1.00 10.00 N ATOM 934 CA GLU A 66 1.861 9.654 -4.583 1.00 10.00 C ATOM 935 C GLU A 66 1.744 10.694 -3.476 1.00 10.00 C ATOM 936 O GLU A 66 0.685 10.832 -2.883 1.00 10.00 O ATOM 937 CB GLU A 66 0.847 10.080 -5.640 1.00 10.00 C ATOM 938 CG GLU A 66 0.450 9.104 -6.739 1.00 10.00 C ATOM 939 CD GLU A 66 -0.631 9.742 -7.623 1.00 10.00 C ATOM 940 OE1 GLU A 66 -0.304 10.629 -8.425 1.00 10.00 O ATOM 941 OE2 GLU A 66 -1.839 9.410 -7.477 1.00 10.00 O ATOM 0 H GLU A 66 0.484 8.364 -3.761 1.00 10.00 H new ATOM 0 HA GLU A 66 2.859 9.568 -5.012 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -0.064 10.372 -5.118 1.00 10.00 H new ATOM 0 HB3 GLU A 66 1.238 10.975 -6.124 1.00 10.00 H new ATOM 0 HG2 GLU A 66 1.321 8.844 -7.341 1.00 10.00 H new ATOM 0 HG3 GLU A 66 0.077 8.178 -6.301 1.00 10.00 H new ATOM 948 N GLY A 67 2.780 11.406 -3.192 1.00 10.00 N ATOM 949 CA GLY A 67 2.680 12.418 -2.180 1.00 10.00 C ATOM 950 C GLY A 67 3.875 13.320 -2.188 1.00 10.00 C ATOM 951 O GLY A 67 4.792 13.090 -2.957 1.00 10.00 O ATOM 0 H GLY A 67 3.695 11.315 -3.634 1.00 10.00 H new ATOM 0 HA2 GLY A 67 1.777 13.007 -2.340 1.00 10.00 H new ATOM 0 HA3 GLY A 67 2.584 11.948 -1.201 1.00 10.00 H new ATOM 955 N HIS A 68 3.873 14.350 -1.365 1.00 10.00 N ATOM 956 CA HIS A 68 5.061 15.191 -1.207 1.00 10.00 C ATOM 957 C HIS A 68 6.137 14.355 -0.490 1.00 10.00 C ATOM 958 O HIS A 68 5.845 13.789 0.548 1.00 10.00 O ATOM 959 CB HIS A 68 4.716 16.467 -0.389 1.00 10.00 C ATOM 960 CG HIS A 68 5.876 17.262 0.058 1.00 10.00 C ATOM 961 ND1 HIS A 68 6.458 17.145 1.315 1.00 10.00 N ATOM 962 CD2 HIS A 68 6.565 18.143 -0.589 1.00 10.00 C ATOM 963 CE1 HIS A 68 7.492 17.949 1.373 1.00 10.00 C ATOM 964 NE2 HIS A 68 7.584 18.575 0.221 1.00 10.00 N ATOM 0 H HIS A 68 3.074 14.630 -0.796 1.00 10.00 H new ATOM 0 HA HIS A 68 5.429 15.517 -2.180 1.00 10.00 H new ATOM 0 HB2 HIS A 68 4.072 17.104 -0.995 1.00 10.00 H new ATOM 0 HB3 HIS A 68 4.139 16.172 0.487 1.00 10.00 H new ATOM 0 HD2 HIS A 68 6.371 18.482 -1.596 1.00 10.00 H new ATOM 0 HE1 HIS A 68 8.152 18.075 2.219 1.00 10.00 H new ATOM 0 HE2 HIS A 68 8.293 19.265 -0.028 1.00 10.00 H new ATOM 973 N PRO A 69 7.400 14.313 -1.028 1.00 10.00 N ATOM 974 CA PRO A 69 8.510 13.422 -0.590 1.00 10.00 C ATOM 975 C PRO A 69 8.589 13.122 0.900 1.00 10.00 C ATOM 976 O PRO A 69 8.750 11.983 1.290 1.00 10.00 O ATOM 977 CB PRO A 69 9.777 14.157 -1.048 1.00 10.00 C ATOM 978 CG PRO A 69 9.298 15.402 -1.717 1.00 10.00 C ATOM 979 CD PRO A 69 7.879 15.150 -2.115 1.00 10.00 C ATOM 0 HA PRO A 69 8.362 12.433 -1.024 1.00 10.00 H new ATOM 0 HB2 PRO A 69 10.423 14.390 -0.201 1.00 10.00 H new ATOM 0 HB3 PRO A 69 10.360 13.543 -1.734 1.00 10.00 H new ATOM 0 HG2 PRO A 69 9.366 16.256 -1.043 1.00 10.00 H new ATOM 0 HG3 PRO A 69 9.910 15.634 -2.588 1.00 10.00 H new ATOM 0 HD2 PRO A 69 7.309 16.075 -2.198 1.00 10.00 H new ATOM 0 HD3 PRO A 69 7.810 14.645 -3.079 1.00 10.00 H new ATOM 987 N ALA A 70 8.439 14.123 1.724 1.00 10.00 N ATOM 988 CA ALA A 70 8.586 13.917 3.151 1.00 10.00 C ATOM 989 C ALA A 70 7.426 13.203 3.776 1.00 10.00 C ATOM 990 O ALA A 70 7.589 12.521 4.779 1.00 10.00 O ATOM 991 CB ALA A 70 8.915 15.175 3.876 1.00 10.00 C ATOM 0 H ALA A 70 8.218 15.079 1.444 1.00 10.00 H new ATOM 0 HA ALA A 70 9.441 13.250 3.256 1.00 10.00 H new ATOM 0 HB1 ALA A 70 9.014 14.966 4.941 1.00 10.00 H new ATOM 0 HB2 ALA A 70 9.854 15.579 3.496 1.00 10.00 H new ATOM 0 HB3 ALA A 70 8.118 15.903 3.722 1.00 10.00 H new ATOM 997 N ALA A 71 6.287 13.335 3.197 1.00 10.00 N ATOM 998 CA ALA A 71 5.125 12.644 3.677 1.00 10.00 C ATOM 999 C ALA A 71 5.286 11.193 3.339 1.00 10.00 C ATOM 1000 O ALA A 71 4.960 10.294 4.119 1.00 10.00 O ATOM 1001 CB ALA A 71 3.934 13.160 2.972 1.00 10.00 C ATOM 0 H ALA A 71 6.125 13.921 2.378 1.00 10.00 H new ATOM 0 HA ALA A 71 5.010 12.786 4.752 1.00 10.00 H new ATOM 0 HB1 ALA A 71 3.045 12.640 3.330 1.00 10.00 H new ATOM 0 HB2 ALA A 71 3.832 14.228 3.164 1.00 10.00 H new ATOM 0 HB3 ALA A 71 4.045 12.993 1.901 1.00 10.00 H new ATOM 1007 N VAL A 72 5.843 10.989 2.168 1.00 10.00 N ATOM 1008 CA VAL A 72 6.102 9.680 1.657 1.00 10.00 C ATOM 1009 C VAL A 72 7.145 9.041 2.551 1.00 10.00 C ATOM 1010 O VAL A 72 7.040 7.902 2.913 1.00 10.00 O ATOM 1011 CB VAL A 72 6.666 9.722 0.209 1.00 10.00 C ATOM 1012 CG1 VAL A 72 6.381 8.455 -0.498 1.00 10.00 C ATOM 1013 CG2 VAL A 72 6.126 10.870 -0.588 1.00 10.00 C ATOM 0 H VAL A 72 6.129 11.742 1.542 1.00 10.00 H new ATOM 0 HA VAL A 72 5.167 9.120 1.640 1.00 10.00 H new ATOM 0 HB VAL A 72 7.743 9.860 0.301 1.00 10.00 H new ATOM 0 HG11 VAL A 72 6.784 8.504 -1.510 1.00 10.00 H new ATOM 0 HG12 VAL A 72 6.846 7.627 0.038 1.00 10.00 H new ATOM 0 HG13 VAL A 72 5.303 8.298 -0.544 1.00 10.00 H new ATOM 0 HG21 VAL A 72 6.554 10.850 -1.590 1.00 10.00 H new ATOM 0 HG22 VAL A 72 5.041 10.788 -0.655 1.00 10.00 H new ATOM 0 HG23 VAL A 72 6.390 11.808 -0.100 1.00 10.00 H new ATOM 1023 N ALA A 73 8.130 9.822 2.932 1.00 10.00 N ATOM 1024 CA ALA A 73 9.199 9.350 3.777 1.00 10.00 C ATOM 1025 C ALA A 73 8.763 9.126 5.207 1.00 10.00 C ATOM 1026 O ALA A 73 9.328 8.281 5.902 1.00 10.00 O ATOM 1027 CB ALA A 73 10.340 10.271 3.753 1.00 10.00 C ATOM 0 H ALA A 73 8.211 10.803 2.664 1.00 10.00 H new ATOM 0 HA ALA A 73 9.500 8.386 3.367 1.00 10.00 H new ATOM 0 HB1 ALA A 73 11.130 9.889 4.399 1.00 10.00 H new ATOM 0 HB2 ALA A 73 10.716 10.358 2.734 1.00 10.00 H new ATOM 0 HB3 ALA A 73 10.024 11.252 4.108 1.00 10.00 H new ATOM 1033 N GLU A 74 7.814 9.909 5.663 1.00 10.00 N ATOM 1034 CA GLU A 74 7.191 9.701 6.971 1.00 10.00 C ATOM 1035 C GLU A 74 6.625 8.313 7.005 1.00 10.00 C ATOM 1036 O GLU A 74 6.853 7.554 7.971 1.00 10.00 O ATOM 1037 CB GLU A 74 6.082 10.739 7.240 1.00 10.00 C ATOM 1038 CG GLU A 74 5.275 10.478 8.513 1.00 10.00 C ATOM 1039 CD GLU A 74 4.116 11.440 8.702 1.00 10.00 C ATOM 1040 OE1 GLU A 74 3.225 11.510 7.821 1.00 10.00 O ATOM 1041 OE2 GLU A 74 4.077 12.151 9.736 1.00 10.00 O ATOM 0 H GLU A 74 7.445 10.709 5.148 1.00 10.00 H new ATOM 0 HA GLU A 74 7.942 9.825 7.751 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.534 11.729 7.306 1.00 10.00 H new ATOM 0 HB3 GLU A 74 5.401 10.756 6.389 1.00 10.00 H new ATOM 0 HG2 GLU A 74 4.890 9.458 8.487 1.00 10.00 H new ATOM 0 HG3 GLU A 74 5.938 10.547 9.375 1.00 10.00 H new ATOM 1048 N VAL A 75 5.935 7.951 5.947 1.00 10.00 N ATOM 1049 CA VAL A 75 5.419 6.667 5.885 1.00 10.00 C ATOM 1050 C VAL A 75 6.554 5.655 5.600 1.00 10.00 C ATOM 1051 O VAL A 75 6.562 4.636 6.205 1.00 10.00 O ATOM 1052 CB VAL A 75 4.187 6.533 4.936 1.00 10.00 C ATOM 1053 CG1 VAL A 75 4.540 6.336 3.479 1.00 10.00 C ATOM 1054 CG2 VAL A 75 3.239 5.483 5.438 1.00 10.00 C ATOM 0 H VAL A 75 5.737 8.545 5.142 1.00 10.00 H new ATOM 0 HA VAL A 75 5.004 6.422 6.863 1.00 10.00 H new ATOM 0 HB VAL A 75 3.680 7.497 4.963 1.00 10.00 H new ATOM 0 HG11 VAL A 75 3.626 6.252 2.891 1.00 10.00 H new ATOM 0 HG12 VAL A 75 5.121 7.188 3.127 1.00 10.00 H new ATOM 0 HG13 VAL A 75 5.128 5.425 3.367 1.00 10.00 H new ATOM 0 HG21 VAL A 75 2.388 5.407 4.761 1.00 10.00 H new ATOM 0 HG22 VAL A 75 3.752 4.522 5.485 1.00 10.00 H new ATOM 0 HG23 VAL A 75 2.888 5.756 6.433 1.00 10.00 H new ATOM 1064 N MET A 76 7.553 5.986 4.713 1.00 10.00 N ATOM 1065 CA MET A 76 8.717 5.107 4.473 1.00 10.00 C ATOM 1066 C MET A 76 9.409 4.733 5.754 1.00 10.00 C ATOM 1067 O MET A 76 9.606 3.587 6.001 1.00 10.00 O ATOM 1068 CB MET A 76 9.768 5.729 3.532 1.00 10.00 C ATOM 1069 CG MET A 76 9.310 6.097 2.140 1.00 10.00 C ATOM 1070 SD MET A 76 9.053 4.756 0.975 1.00 10.00 S ATOM 1071 CE MET A 76 7.586 4.016 1.635 1.00 10.00 C ATOM 0 H MET A 76 7.561 6.847 4.167 1.00 10.00 H new ATOM 0 HA MET A 76 8.298 4.221 3.995 1.00 10.00 H new ATOM 0 HB2 MET A 76 10.160 6.628 4.008 1.00 10.00 H new ATOM 0 HB3 MET A 76 10.598 5.029 3.441 1.00 10.00 H new ATOM 0 HG2 MET A 76 8.375 6.651 2.228 1.00 10.00 H new ATOM 0 HG3 MET A 76 10.045 6.779 1.712 1.00 10.00 H new ATOM 0 HE1 MET A 76 6.941 3.694 0.817 1.00 10.00 H new ATOM 0 HE2 MET A 76 7.856 3.154 2.245 1.00 10.00 H new ATOM 0 HE3 MET A 76 7.056 4.744 2.249 1.00 10.00 H new ATOM 1081 N SER A 77 9.740 5.702 6.568 1.00 10.00 N ATOM 1082 CA SER A 77 10.473 5.445 7.804 1.00 10.00 C ATOM 1083 C SER A 77 9.661 4.553 8.736 1.00 10.00 C ATOM 1084 O SER A 77 10.201 3.662 9.383 1.00 10.00 O ATOM 1085 CB SER A 77 10.830 6.767 8.480 1.00 10.00 C ATOM 1086 OG SER A 77 11.471 7.644 7.550 1.00 10.00 O ATOM 0 H SER A 77 9.517 6.684 6.406 1.00 10.00 H new ATOM 0 HA SER A 77 11.397 4.918 7.565 1.00 10.00 H new ATOM 0 HB2 SER A 77 9.928 7.238 8.872 1.00 10.00 H new ATOM 0 HB3 SER A 77 11.488 6.583 9.329 1.00 10.00 H new ATOM 0 HG SER A 77 10.800 8.029 6.948 1.00 10.00 H new ATOM 1092 N HIS A 78 8.368 4.781 8.771 1.00 10.00 N ATOM 1093 CA HIS A 78 7.486 3.955 9.580 1.00 10.00 C ATOM 1094 C HIS A 78 7.383 2.535 8.958 1.00 10.00 C ATOM 1095 O HIS A 78 7.538 1.518 9.632 1.00 10.00 O ATOM 1096 CB HIS A 78 6.111 4.609 9.608 1.00 10.00 C ATOM 1097 CG HIS A 78 5.240 4.168 10.723 1.00 10.00 C ATOM 1098 ND1 HIS A 78 4.894 4.992 11.758 1.00 10.00 N ATOM 1099 CD2 HIS A 78 4.614 3.013 10.946 1.00 10.00 C ATOM 1100 CE1 HIS A 78 4.093 4.358 12.567 1.00 10.00 C ATOM 1101 NE2 HIS A 78 3.896 3.151 12.101 1.00 10.00 N ATOM 0 H HIS A 78 7.901 5.526 8.254 1.00 10.00 H new ATOM 0 HA HIS A 78 7.878 3.865 10.593 1.00 10.00 H new ATOM 0 HB2 HIS A 78 6.239 5.690 9.670 1.00 10.00 H new ATOM 0 HB3 HIS A 78 5.605 4.401 8.665 1.00 10.00 H new ATOM 0 HD2 HIS A 78 4.665 2.129 10.327 1.00 10.00 H new ATOM 0 HE1 HIS A 78 3.663 4.762 13.472 1.00 10.00 H new ATOM 0 HE2 HIS A 78 3.307 2.435 12.527 1.00 10.00 H new ATOM 1110 N ILE A 79 7.167 2.531 7.671 1.00 10.00 N ATOM 1111 CA ILE A 79 6.959 1.362 6.837 1.00 10.00 C ATOM 1112 C ILE A 79 8.200 0.455 6.707 1.00 10.00 C ATOM 1113 O ILE A 79 8.104 -0.729 6.774 1.00 10.00 O ATOM 1114 CB ILE A 79 6.424 1.829 5.448 1.00 10.00 C ATOM 1115 CG1 ILE A 79 4.899 1.988 5.449 1.00 10.00 C ATOM 1116 CG2 ILE A 79 6.928 1.046 4.280 1.00 10.00 C ATOM 1117 CD1 ILE A 79 4.330 2.424 4.112 1.00 10.00 C ATOM 0 H ILE A 79 7.128 3.398 7.135 1.00 10.00 H new ATOM 0 HA ILE A 79 6.219 0.729 7.326 1.00 10.00 H new ATOM 0 HB ILE A 79 6.856 2.818 5.298 1.00 10.00 H new ATOM 0 HG12 ILE A 79 4.444 1.040 5.736 1.00 10.00 H new ATOM 0 HG13 ILE A 79 4.619 2.718 6.208 1.00 10.00 H new ATOM 0 HG21 ILE A 79 6.500 1.447 3.361 1.00 10.00 H new ATOM 0 HG22 ILE A 79 8.015 1.118 4.235 1.00 10.00 H new ATOM 0 HG23 ILE A 79 6.638 0.001 4.390 1.00 10.00 H new ATOM 0 HD11 ILE A 79 3.247 2.515 4.190 1.00 10.00 H new ATOM 0 HD12 ILE A 79 4.756 3.387 3.832 1.00 10.00 H new ATOM 0 HD13 ILE A 79 4.578 1.683 3.352 1.00 10.00 H new ATOM 1129 N GLN A 80 9.330 1.014 6.475 1.00 10.00 N ATOM 1130 CA GLN A 80 10.566 0.273 6.384 1.00 10.00 C ATOM 1131 C GLN A 80 10.993 -0.352 7.714 1.00 10.00 C ATOM 1132 O GLN A 80 11.886 -1.201 7.763 1.00 10.00 O ATOM 1133 CB GLN A 80 11.606 1.168 5.742 1.00 10.00 C ATOM 1134 CG GLN A 80 11.168 1.535 4.326 1.00 10.00 C ATOM 1135 CD GLN A 80 11.095 0.328 3.493 1.00 10.00 C ATOM 1136 OE1 GLN A 80 12.063 -0.069 2.847 1.00 10.00 O ATOM 1137 NE2 GLN A 80 9.994 -0.274 3.502 1.00 10.00 N ATOM 0 H GLN A 80 9.441 2.019 6.338 1.00 10.00 H new ATOM 0 HA GLN A 80 10.428 -0.600 5.746 1.00 10.00 H new ATOM 0 HB2 GLN A 80 11.739 2.071 6.337 1.00 10.00 H new ATOM 0 HB3 GLN A 80 12.570 0.660 5.714 1.00 10.00 H new ATOM 0 HG2 GLN A 80 10.196 2.027 4.353 1.00 10.00 H new ATOM 0 HG3 GLN A 80 11.872 2.245 3.891 1.00 10.00 H new ATOM 0 HE21 GLN A 80 9.217 0.092 4.053 1.00 10.00 H new ATOM 0 HE22 GLN A 80 9.876 -1.129 2.959 1.00 10.00 H new ATOM 1146 N ARG A 81 10.333 0.056 8.761 1.00 10.00 N ATOM 1147 CA ARG A 81 10.484 -0.529 10.074 1.00 10.00 C ATOM 1148 C ARG A 81 9.176 -1.245 10.464 1.00 10.00 C ATOM 1149 O ARG A 81 8.884 -1.416 11.653 1.00 10.00 O ATOM 1150 CB ARG A 81 10.752 0.575 11.082 1.00 10.00 C ATOM 1151 CG ARG A 81 12.097 1.238 10.972 1.00 10.00 C ATOM 1152 CD ARG A 81 12.213 2.376 11.969 1.00 10.00 C ATOM 1153 NE ARG A 81 11.866 1.946 13.336 1.00 10.00 N ATOM 1154 CZ ARG A 81 12.472 2.350 14.453 1.00 10.00 C ATOM 1155 NH1 ARG A 81 13.547 3.140 14.394 1.00 10.00 N ATOM 1156 NH2 ARG A 81 12.005 1.952 15.629 1.00 10.00 N ATOM 0 H ARG A 81 9.659 0.821 8.730 1.00 10.00 H new ATOM 0 HA ARG A 81 11.311 -1.239 10.065 1.00 10.00 H new ATOM 0 HB2 ARG A 81 9.980 1.337 10.974 1.00 10.00 H new ATOM 0 HB3 ARG A 81 10.652 0.160 12.085 1.00 10.00 H new ATOM 0 HG2 ARG A 81 12.885 0.507 11.153 1.00 10.00 H new ATOM 0 HG3 ARG A 81 12.240 1.617 9.960 1.00 10.00 H new ATOM 0 HD2 ARG A 81 13.231 2.766 11.958 1.00 10.00 H new ATOM 0 HD3 ARG A 81 11.556 3.192 11.667 1.00 10.00 H new ATOM 0 HE ARG A 81 11.097 1.283 13.436 1.00 10.00 H new ATOM 0 HH11 ARG A 81 13.911 3.439 13.489 1.00 10.00 H new ATOM 0 HH12 ARG A 81 14.004 3.444 15.254 1.00 10.00 H new ATOM 0 HH21 ARG A 81 11.189 1.342 15.674 1.00 10.00 H new ATOM 0 HH22 ARG A 81 12.462 2.256 16.489 1.00 10.00 H new ATOM 1170 N ASP A 82 8.409 -1.675 9.467 1.00 10.00 N ATOM 1171 CA ASP A 82 7.067 -2.198 9.707 1.00 10.00 C ATOM 1172 C ASP A 82 7.002 -3.678 10.087 1.00 10.00 C ATOM 1173 O ASP A 82 7.994 -4.311 10.455 1.00 10.00 O ATOM 1174 CB ASP A 82 6.235 -2.009 8.491 1.00 10.00 C ATOM 1175 CG ASP A 82 4.821 -1.573 8.727 1.00 10.00 C ATOM 1176 OD1 ASP A 82 4.076 -2.313 9.345 1.00 10.00 O ATOM 1177 OD2 ASP A 82 4.440 -0.566 8.156 1.00 10.00 O ATOM 0 H ASP A 82 8.692 -1.672 8.487 1.00 10.00 H new ATOM 0 HA ASP A 82 6.698 -1.635 10.564 1.00 10.00 H new ATOM 0 HB2 ASP A 82 6.721 -1.271 7.853 1.00 10.00 H new ATOM 0 HB3 ASP A 82 6.218 -2.947 7.937 1.00 10.00 H new ATOM 1182 N ARG A 83 5.796 -4.205 9.891 1.00 10.00 N ATOM 1183 CA ARG A 83 5.301 -5.467 10.375 1.00 10.00 C ATOM 1184 C ARG A 83 3.982 -5.848 9.622 1.00 10.00 C ATOM 1185 O ARG A 83 3.760 -7.003 9.313 1.00 10.00 O ATOM 1186 CB ARG A 83 5.014 -5.246 11.868 1.00 10.00 C ATOM 1187 CG ARG A 83 4.248 -3.936 12.081 1.00 10.00 C ATOM 1188 CD ARG A 83 4.263 -3.446 13.494 1.00 10.00 C ATOM 1189 NE ARG A 83 3.763 -2.064 13.558 1.00 10.00 N ATOM 1190 CZ ARG A 83 4.285 -1.098 14.318 1.00 10.00 C ATOM 1191 NH1 ARG A 83 5.311 -1.359 15.138 1.00 10.00 N ATOM 1192 NH2 ARG A 83 3.784 0.126 14.249 1.00 10.00 N ATOM 0 H ARG A 83 5.091 -3.711 9.344 1.00 10.00 H new ATOM 0 HA ARG A 83 6.014 -6.276 10.214 1.00 10.00 H new ATOM 0 HB2 ARG A 83 4.433 -6.081 12.260 1.00 10.00 H new ATOM 0 HB3 ARG A 83 5.951 -5.220 12.424 1.00 10.00 H new ATOM 0 HG2 ARG A 83 4.675 -3.168 11.436 1.00 10.00 H new ATOM 0 HG3 ARG A 83 3.214 -4.076 11.767 1.00 10.00 H new ATOM 0 HD2 ARG A 83 3.646 -4.093 14.117 1.00 10.00 H new ATOM 0 HD3 ARG A 83 5.277 -3.492 13.892 1.00 10.00 H new ATOM 0 HE ARG A 83 2.958 -1.826 12.979 1.00 10.00 H new ATOM 0 HH11 ARG A 83 5.699 -2.301 15.185 1.00 10.00 H new ATOM 0 HH12 ARG A 83 5.704 -0.616 15.715 1.00 10.00 H new ATOM 0 HH21 ARG A 83 3.006 0.324 13.619 1.00 10.00 H new ATOM 0 HH22 ARG A 83 4.176 0.871 14.825 1.00 10.00 H new ATOM 1206 N ARG A 84 3.157 -4.825 9.260 1.00 10.00 N ATOM 1207 CA ARG A 84 1.822 -4.987 8.618 1.00 10.00 C ATOM 1208 C ARG A 84 1.953 -5.347 7.118 1.00 10.00 C ATOM 1209 O ARG A 84 1.012 -5.274 6.347 1.00 10.00 O ATOM 1210 CB ARG A 84 1.079 -3.657 8.724 1.00 10.00 C ATOM 1211 CG ARG A 84 1.049 -3.041 10.118 1.00 10.00 C ATOM 1212 CD ARG A 84 0.118 -3.753 11.072 1.00 10.00 C ATOM 1213 NE ARG A 84 -1.283 -3.586 10.680 1.00 10.00 N ATOM 1214 CZ ARG A 84 -2.122 -2.669 11.168 1.00 10.00 C ATOM 1215 NH1 ARG A 84 -1.725 -1.853 12.123 1.00 10.00 N ATOM 1216 NH2 ARG A 84 -3.369 -2.590 10.717 1.00 10.00 N ATOM 0 H ARG A 84 3.407 -3.847 9.409 1.00 10.00 H new ATOM 0 HA ARG A 84 1.289 -5.793 9.123 1.00 10.00 H new ATOM 0 HB2 ARG A 84 1.541 -2.945 8.039 1.00 10.00 H new ATOM 0 HB3 ARG A 84 0.053 -3.804 8.387 1.00 10.00 H new ATOM 0 HG2 ARG A 84 2.057 -3.050 10.532 1.00 10.00 H new ATOM 0 HG3 ARG A 84 0.746 -1.997 10.039 1.00 10.00 H new ATOM 0 HD2 ARG A 84 0.365 -4.814 11.099 1.00 10.00 H new ATOM 0 HD3 ARG A 84 0.263 -3.366 12.081 1.00 10.00 H new ATOM 0 HE ARG A 84 -1.649 -4.225 9.974 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -0.776 -1.921 12.490 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -2.367 -1.153 12.495 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -3.691 -3.232 9.993 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -4.004 -1.887 11.095 1.00 10.00 H new ATOM 1230 N HIS A 85 3.118 -5.755 6.748 1.00 10.00 N ATOM 1231 CA HIS A 85 3.501 -6.102 5.419 1.00 10.00 C ATOM 1232 C HIS A 85 4.822 -6.759 5.516 1.00 10.00 C ATOM 1233 O HIS A 85 5.716 -6.242 6.149 1.00 10.00 O ATOM 1234 CB HIS A 85 3.459 -4.931 4.375 1.00 10.00 C ATOM 1235 CG HIS A 85 4.032 -3.602 4.794 1.00 10.00 C ATOM 1236 ND1 HIS A 85 3.903 -2.464 4.054 1.00 10.00 N ATOM 1237 CD2 HIS A 85 4.717 -3.224 5.882 1.00 10.00 C ATOM 1238 CE1 HIS A 85 4.489 -1.488 4.689 1.00 10.00 C ATOM 1239 NE2 HIS A 85 4.964 -1.908 5.769 1.00 10.00 N ATOM 0 H HIS A 85 3.884 -5.863 7.413 1.00 10.00 H new ATOM 0 HA HIS A 85 2.756 -6.781 5.005 1.00 10.00 H new ATOM 0 HB2 HIS A 85 3.990 -5.259 3.481 1.00 10.00 H new ATOM 0 HB3 HIS A 85 2.419 -4.773 4.089 1.00 10.00 H new ATOM 0 HD1 HIS A 85 3.428 -2.389 3.155 1.00 10.00 H new ATOM 0 HD2 HIS A 85 5.016 -3.861 6.701 1.00 10.00 H new ATOM 0 HE1 HIS A 85 4.555 -0.469 4.336 1.00 10.00 H new ATOM 1248 N SER A 86 4.912 -7.884 4.883 1.00 10.00 N ATOM 1249 CA SER A 86 5.961 -8.856 5.070 1.00 10.00 C ATOM 1250 C SER A 86 7.388 -8.334 5.015 1.00 10.00 C ATOM 1251 O SER A 86 8.201 -8.639 5.880 1.00 10.00 O ATOM 1252 CB SER A 86 5.728 -9.977 4.106 1.00 10.00 C ATOM 1253 OG SER A 86 6.312 -11.192 4.521 1.00 10.00 O ATOM 0 H SER A 86 4.226 -8.172 4.185 1.00 10.00 H new ATOM 0 HA SER A 86 5.890 -9.198 6.103 1.00 10.00 H new ATOM 0 HB2 SER A 86 4.655 -10.121 3.978 1.00 10.00 H new ATOM 0 HB3 SER A 86 6.131 -9.701 3.132 1.00 10.00 H new ATOM 0 HG SER A 86 6.127 -11.888 3.856 1.00 10.00 H new ATOM 1259 N ASN A 87 7.666 -7.538 4.048 1.00 10.00 N ATOM 1260 CA ASN A 87 9.061 -7.098 3.838 1.00 10.00 C ATOM 1261 C ASN A 87 9.178 -5.640 3.587 1.00 10.00 C ATOM 1262 O ASN A 87 10.087 -4.968 4.076 1.00 10.00 O ATOM 1263 CB ASN A 87 9.786 -7.842 2.693 1.00 10.00 C ATOM 1264 CG ASN A 87 9.777 -9.367 2.731 1.00 10.00 C ATOM 1265 OD1 ASN A 87 9.738 -10.003 3.783 1.00 10.00 O ATOM 1266 ND2 ASN A 87 9.820 -9.956 1.567 1.00 10.00 N ATOM 0 H ASN A 87 6.987 -7.166 3.384 1.00 10.00 H new ATOM 0 HA ASN A 87 9.548 -7.348 4.781 1.00 10.00 H new ATOM 0 HB2 ASN A 87 9.340 -7.526 1.750 1.00 10.00 H new ATOM 0 HB3 ASN A 87 10.825 -7.511 2.681 1.00 10.00 H new ATOM 0 HD21 ASN A 87 9.822 -10.974 1.511 1.00 10.00 H new ATOM 0 HD22 ASN A 87 9.852 -9.398 0.714 1.00 10.00 H new ATOM 1273 N VAL A 88 8.213 -5.171 2.918 1.00 10.00 N ATOM 1274 CA VAL A 88 8.153 -3.893 2.330 1.00 10.00 C ATOM 1275 C VAL A 88 9.405 -3.411 1.656 1.00 10.00 C ATOM 1276 O VAL A 88 10.234 -2.695 2.219 1.00 10.00 O ATOM 1277 CB VAL A 88 7.391 -2.853 3.128 1.00 10.00 C ATOM 1278 CG1 VAL A 88 7.985 -2.577 4.436 1.00 10.00 C ATOM 1279 CG2 VAL A 88 7.212 -1.594 2.358 1.00 10.00 C ATOM 0 H VAL A 88 7.366 -5.714 2.749 1.00 10.00 H new ATOM 0 HA VAL A 88 7.504 -4.065 1.471 1.00 10.00 H new ATOM 0 HB VAL A 88 6.409 -3.288 3.315 1.00 10.00 H new ATOM 0 HG11 VAL A 88 7.391 -1.824 4.954 1.00 10.00 H new ATOM 0 HG12 VAL A 88 8.006 -3.493 5.027 1.00 10.00 H new ATOM 0 HG13 VAL A 88 9.002 -2.208 4.303 1.00 10.00 H new ATOM 0 HG21 VAL A 88 6.662 -0.873 2.962 1.00 10.00 H new ATOM 0 HG22 VAL A 88 8.188 -1.183 2.101 1.00 10.00 H new ATOM 0 HG23 VAL A 88 6.655 -1.802 1.445 1.00 10.00 H new ATOM 1289 N GLU A 89 9.534 -3.834 0.464 1.00 10.00 N ATOM 1290 CA GLU A 89 10.640 -3.464 -0.346 1.00 10.00 C ATOM 1291 C GLU A 89 10.177 -2.452 -1.341 1.00 10.00 C ATOM 1292 O GLU A 89 9.500 -2.797 -2.311 1.00 10.00 O ATOM 1293 CB GLU A 89 11.179 -4.696 -1.016 1.00 10.00 C ATOM 1294 CG GLU A 89 11.527 -5.729 -0.004 1.00 10.00 C ATOM 1295 CD GLU A 89 11.310 -7.127 -0.478 1.00 10.00 C ATOM 1296 OE1 GLU A 89 10.139 -7.534 -0.639 1.00 10.00 O ATOM 1297 OE2 GLU A 89 12.286 -7.852 -0.704 1.00 10.00 O ATOM 0 H GLU A 89 8.869 -4.458 0.007 1.00 10.00 H new ATOM 0 HA GLU A 89 11.440 -3.023 0.248 1.00 10.00 H new ATOM 0 HB2 GLU A 89 10.438 -5.093 -1.710 1.00 10.00 H new ATOM 0 HB3 GLU A 89 12.062 -4.441 -1.603 1.00 10.00 H new ATOM 0 HG2 GLU A 89 12.572 -5.609 0.281 1.00 10.00 H new ATOM 0 HG3 GLU A 89 10.931 -5.562 0.893 1.00 10.00 H new ATOM 1304 N ILE A 90 10.387 -1.194 -0.977 1.00 10.00 N ATOM 1305 CA ILE A 90 10.134 -0.029 -1.831 1.00 10.00 C ATOM 1306 C ILE A 90 10.690 -0.302 -3.176 1.00 10.00 C ATOM 1307 O ILE A 90 9.970 -0.476 -4.113 1.00 10.00 O ATOM 1308 CB ILE A 90 10.748 1.277 -1.232 1.00 10.00 C ATOM 1309 CG1 ILE A 90 10.572 1.315 0.269 1.00 10.00 C ATOM 1310 CG2 ILE A 90 10.089 2.531 -1.817 1.00 10.00 C ATOM 1311 CD1 ILE A 90 9.139 1.177 0.708 1.00 10.00 C ATOM 0 H ILE A 90 10.747 -0.943 -0.056 1.00 10.00 H new ATOM 0 HA ILE A 90 9.058 0.134 -1.897 1.00 10.00 H new ATOM 0 HB ILE A 90 11.807 1.269 -1.489 1.00 10.00 H new ATOM 0 HG12 ILE A 90 11.160 0.513 0.716 1.00 10.00 H new ATOM 0 HG13 ILE A 90 10.972 2.255 0.650 1.00 10.00 H new ATOM 0 HG21 ILE A 90 10.542 3.419 -1.377 1.00 10.00 H new ATOM 0 HG22 ILE A 90 10.233 2.548 -2.897 1.00 10.00 H new ATOM 0 HG23 ILE A 90 9.022 2.519 -1.594 1.00 10.00 H new ATOM 0 HD11 ILE A 90 9.087 1.213 1.796 1.00 10.00 H new ATOM 0 HD12 ILE A 90 8.550 1.993 0.290 1.00 10.00 H new ATOM 0 HD13 ILE A 90 8.741 0.225 0.357 1.00 10.00 H new ATOM 1323 N LEU A 91 11.964 -0.375 -3.227 1.00 10.00 N ATOM 1324 CA LEU A 91 12.747 -0.750 -4.403 1.00 10.00 C ATOM 1325 C LEU A 91 12.692 0.300 -5.530 1.00 10.00 C ATOM 1326 O LEU A 91 13.621 0.393 -6.338 1.00 10.00 O ATOM 1327 CB LEU A 91 12.352 -2.153 -4.917 1.00 10.00 C ATOM 1328 CG LEU A 91 12.552 -3.331 -3.937 1.00 10.00 C ATOM 1329 CD1 LEU A 91 12.108 -4.620 -4.595 1.00 10.00 C ATOM 1330 CD2 LEU A 91 14.008 -3.442 -3.516 1.00 10.00 C ATOM 0 H LEU A 91 12.549 -0.168 -2.417 1.00 10.00 H new ATOM 0 HA LEU A 91 13.786 -0.788 -4.077 1.00 10.00 H new ATOM 0 HB2 LEU A 91 11.302 -2.126 -5.207 1.00 10.00 H new ATOM 0 HB3 LEU A 91 12.927 -2.359 -5.820 1.00 10.00 H new ATOM 0 HG LEU A 91 11.950 -3.149 -3.047 1.00 10.00 H new ATOM 0 HD11 LEU A 91 12.250 -5.450 -3.902 1.00 10.00 H new ATOM 0 HD12 LEU A 91 11.054 -4.547 -4.863 1.00 10.00 H new ATOM 0 HD13 LEU A 91 12.700 -4.792 -5.494 1.00 10.00 H new ATOM 0 HD21 LEU A 91 14.125 -4.278 -2.826 1.00 10.00 H new ATOM 0 HD22 LEU A 91 14.630 -3.608 -4.396 1.00 10.00 H new ATOM 0 HD23 LEU A 91 14.316 -2.520 -3.023 1.00 10.00 H new ATOM 1342 N ALA A 92 11.620 1.072 -5.573 1.00 10.00 N ATOM 1343 CA ALA A 92 11.436 2.097 -6.576 1.00 10.00 C ATOM 1344 C ALA A 92 10.944 3.369 -5.939 1.00 10.00 C ATOM 1345 O ALA A 92 9.919 3.376 -5.240 1.00 10.00 O ATOM 1346 CB ALA A 92 10.441 1.645 -7.607 1.00 10.00 C ATOM 0 H ALA A 92 10.850 1.002 -4.907 1.00 10.00 H new ATOM 0 HA ALA A 92 12.397 2.281 -7.056 1.00 10.00 H new ATOM 0 HB1 ALA A 92 10.312 2.427 -8.356 1.00 10.00 H new ATOM 0 HB2 ALA A 92 10.803 0.737 -8.089 1.00 10.00 H new ATOM 0 HB3 ALA A 92 9.484 1.443 -7.125 1.00 10.00 H new ATOM 1352 N GLU A 93 11.656 4.433 -6.182 1.00 10.00 N ATOM 1353 CA GLU A 93 11.346 5.729 -5.639 1.00 10.00 C ATOM 1354 C GLU A 93 11.480 6.723 -6.785 1.00 10.00 C ATOM 1355 O GLU A 93 12.572 6.922 -7.308 1.00 10.00 O ATOM 1356 CB GLU A 93 12.354 6.061 -4.529 1.00 10.00 C ATOM 1357 CG GLU A 93 12.471 4.993 -3.465 1.00 10.00 C ATOM 1358 CD GLU A 93 13.698 5.145 -2.619 1.00 10.00 C ATOM 1359 OE1 GLU A 93 14.799 4.741 -3.069 1.00 10.00 O ATOM 1360 OE2 GLU A 93 13.613 5.678 -1.497 1.00 10.00 O ATOM 0 H GLU A 93 12.486 4.425 -6.775 1.00 10.00 H new ATOM 0 HA GLU A 93 10.343 5.762 -5.214 1.00 10.00 H new ATOM 0 HB2 GLU A 93 13.334 6.221 -4.978 1.00 10.00 H new ATOM 0 HB3 GLU A 93 12.063 6.999 -4.057 1.00 10.00 H new ATOM 0 HG2 GLU A 93 11.589 5.026 -2.826 1.00 10.00 H new ATOM 0 HG3 GLU A 93 12.483 4.013 -3.941 1.00 10.00 H new ATOM 1367 N GLU A 94 10.388 7.285 -7.216 1.00 10.00 N ATOM 1368 CA GLU A 94 10.406 8.202 -8.351 1.00 10.00 C ATOM 1369 C GLU A 94 9.700 9.520 -8.036 1.00 10.00 C ATOM 1370 O GLU A 94 8.726 9.541 -7.296 1.00 10.00 O ATOM 1371 CB GLU A 94 9.780 7.514 -9.577 1.00 10.00 C ATOM 1372 CG GLU A 94 8.410 6.892 -9.312 1.00 10.00 C ATOM 1373 CD GLU A 94 7.849 6.175 -10.508 1.00 10.00 C ATOM 1374 OE1 GLU A 94 7.240 6.822 -11.364 1.00 10.00 O ATOM 1375 OE2 GLU A 94 8.017 4.938 -10.624 1.00 10.00 O ATOM 0 H GLU A 94 9.466 7.133 -6.807 1.00 10.00 H new ATOM 0 HA GLU A 94 11.444 8.453 -8.572 1.00 10.00 H new ATOM 0 HB2 GLU A 94 9.686 8.244 -10.381 1.00 10.00 H new ATOM 0 HB3 GLU A 94 10.458 6.737 -9.929 1.00 10.00 H new ATOM 0 HG2 GLU A 94 8.490 6.192 -8.480 1.00 10.00 H new ATOM 0 HG3 GLU A 94 7.715 7.674 -9.005 1.00 10.00 H new ATOM 1382 N SER A 95 10.209 10.612 -8.574 1.00 10.00 N ATOM 1383 CA SER A 95 9.587 11.907 -8.414 1.00 10.00 C ATOM 1384 C SER A 95 8.430 12.018 -9.383 1.00 10.00 C ATOM 1385 O SER A 95 8.569 11.696 -10.565 1.00 10.00 O ATOM 1386 CB SER A 95 10.604 13.015 -8.663 1.00 10.00 C ATOM 1387 OG SER A 95 11.677 12.937 -7.730 1.00 10.00 O ATOM 0 H SER A 95 11.063 10.624 -9.132 1.00 10.00 H new ATOM 0 HA SER A 95 9.216 12.014 -7.395 1.00 10.00 H new ATOM 0 HB2 SER A 95 10.993 12.936 -9.678 1.00 10.00 H new ATOM 0 HB3 SER A 95 10.117 13.987 -8.583 1.00 10.00 H new ATOM 0 HG SER A 95 12.319 13.656 -7.909 1.00 10.00 H new ATOM 1393 N ILE A 96 7.293 12.426 -8.898 1.00 10.00 N ATOM 1394 CA ILE A 96 6.120 12.491 -9.744 1.00 10.00 C ATOM 1395 C ILE A 96 5.496 13.852 -9.834 1.00 10.00 C ATOM 1396 O ILE A 96 5.906 14.796 -9.158 1.00 10.00 O ATOM 1397 CB ILE A 96 5.038 11.529 -9.332 1.00 10.00 C ATOM 1398 CG1 ILE A 96 4.661 11.769 -7.898 1.00 10.00 C ATOM 1399 CG2 ILE A 96 5.482 10.093 -9.596 1.00 10.00 C ATOM 1400 CD1 ILE A 96 3.317 11.317 -7.524 1.00 10.00 C ATOM 0 H ILE A 96 7.146 12.718 -7.932 1.00 10.00 H new ATOM 0 HA ILE A 96 6.517 12.217 -10.721 1.00 10.00 H new ATOM 0 HB ILE A 96 4.143 11.697 -9.931 1.00 10.00 H new ATOM 0 HG12 ILE A 96 5.387 11.267 -7.259 1.00 10.00 H new ATOM 0 HG13 ILE A 96 4.739 12.836 -7.692 1.00 10.00 H new ATOM 0 HG21 ILE A 96 4.691 9.406 -9.294 1.00 10.00 H new ATOM 0 HG22 ILE A 96 5.687 9.965 -10.659 1.00 10.00 H new ATOM 0 HG23 ILE A 96 6.385 9.880 -9.024 1.00 10.00 H new ATOM 0 HD11 ILE A 96 3.140 11.535 -6.471 1.00 10.00 H new ATOM 0 HD12 ILE A 96 2.576 11.837 -8.131 1.00 10.00 H new ATOM 0 HD13 ILE A 96 3.235 10.243 -7.692 1.00 10.00 H new ATOM 1412 N ALA A 97 4.486 13.944 -10.681 1.00 10.00 N ATOM 1413 CA ALA A 97 3.706 15.155 -10.830 1.00 10.00 C ATOM 1414 C ALA A 97 2.421 15.025 -10.135 1.00 10.00 C ATOM 1415 O ALA A 97 1.681 15.997 -9.940 1.00 10.00 O ATOM 1416 CB ALA A 97 3.440 15.461 -12.242 1.00 10.00 C ATOM 0 H ALA A 97 4.185 13.179 -11.285 1.00 10.00 H new ATOM 0 HA ALA A 97 4.292 15.965 -10.396 1.00 10.00 H new ATOM 0 HB1 ALA A 97 2.852 16.376 -12.311 1.00 10.00 H new ATOM 0 HB2 ALA A 97 4.384 15.595 -12.769 1.00 10.00 H new ATOM 0 HB3 ALA A 97 2.885 14.639 -12.694 1.00 10.00 H new ATOM 1422 N LYS A 98 2.213 13.837 -9.725 1.00 10.00 N ATOM 1423 CA LYS A 98 1.059 13.367 -9.105 1.00 10.00 C ATOM 1424 C LYS A 98 -0.190 13.631 -9.951 1.00 10.00 C ATOM 1425 O LYS A 98 -0.082 13.842 -11.173 1.00 10.00 O ATOM 1426 CB LYS A 98 1.061 13.972 -7.758 1.00 10.00 C ATOM 1427 CG LYS A 98 0.281 13.284 -6.746 1.00 10.00 C ATOM 1428 CD LYS A 98 -0.858 14.064 -6.260 1.00 10.00 C ATOM 1429 CE LYS A 98 -0.507 14.606 -4.957 1.00 10.00 C ATOM 1430 NZ LYS A 98 -1.645 15.292 -4.308 1.00 10.00 N ATOM 0 H LYS A 98 2.918 13.107 -9.829 1.00 10.00 H new ATOM 0 HA LYS A 98 1.041 12.282 -9.004 1.00 10.00 H new ATOM 0 HB2 LYS A 98 2.093 14.034 -7.412 1.00 10.00 H new ATOM 0 HB3 LYS A 98 0.690 14.994 -7.841 1.00 10.00 H new ATOM 0 HG2 LYS A 98 -0.082 12.342 -7.156 1.00 10.00 H new ATOM 0 HG3 LYS A 98 0.928 13.037 -5.905 1.00 10.00 H new ATOM 0 HD2 LYS A 98 -1.094 14.868 -6.957 1.00 10.00 H new ATOM 0 HD3 LYS A 98 -1.746 13.436 -6.185 1.00 10.00 H new ATOM 0 HE2 LYS A 98 -0.157 13.799 -4.313 1.00 10.00 H new ATOM 0 HE3 LYS A 98 0.321 15.307 -5.069 1.00 10.00 H new ATOM 0 HZ1 LYS A 98 -1.404 16.291 -4.151 1.00 10.00 H new ATOM 0 HZ2 LYS A 98 -2.483 15.230 -4.921 1.00 10.00 H new ATOM 0 HZ3 LYS A 98 -1.850 14.837 -3.395 1.00 10.00 H new ATOM 1444 N ARG A 99 -1.348 13.513 -9.328 1.00 10.00 N ATOM 1445 CA ARG A 99 -2.663 13.741 -9.949 1.00 10.00 C ATOM 1446 C ARG A 99 -3.029 12.534 -10.786 1.00 10.00 C ATOM 1447 O ARG A 99 -3.908 12.583 -11.657 1.00 10.00 O ATOM 1448 CB ARG A 99 -2.690 15.049 -10.788 1.00 10.00 C ATOM 1449 CG ARG A 99 -2.391 16.312 -9.995 1.00 10.00 C ATOM 1450 CD ARG A 99 -2.239 17.518 -10.909 1.00 10.00 C ATOM 1451 NE ARG A 99 -1.737 18.701 -10.179 1.00 10.00 N ATOM 1452 CZ ARG A 99 -0.641 19.415 -10.516 1.00 10.00 C ATOM 1453 NH1 ARG A 99 0.035 19.132 -11.628 1.00 10.00 N ATOM 1454 NH2 ARG A 99 -0.243 20.409 -9.733 1.00 10.00 N ATOM 0 H ARG A 99 -1.414 13.248 -8.345 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.406 13.871 -9.163 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -1.964 14.962 -11.597 1.00 10.00 H new ATOM 0 HB3 ARG A 99 -3.672 15.149 -11.250 1.00 10.00 H new ATOM 0 HG2 ARG A 99 -3.194 16.494 -9.281 1.00 10.00 H new ATOM 0 HG3 ARG A 99 -1.477 16.173 -9.418 1.00 10.00 H new ATOM 0 HD2 ARG A 99 -1.554 17.274 -11.721 1.00 10.00 H new ATOM 0 HD3 ARG A 99 -3.201 17.753 -11.364 1.00 10.00 H new ATOM 0 HE ARG A 99 -2.259 19.002 -9.356 1.00 10.00 H new ATOM 0 HH11 ARG A 99 -0.274 18.371 -12.233 1.00 10.00 H new ATOM 0 HH12 ARG A 99 0.862 19.676 -11.875 1.00 10.00 H new ATOM 0 HH21 ARG A 99 -0.763 20.629 -8.884 1.00 10.00 H new ATOM 0 HH22 ARG A 99 0.584 20.953 -9.980 1.00 10.00 H new ATOM 1468 N ARG A 100 -2.398 11.428 -10.463 1.00 10.00 N ATOM 1469 CA ARG A 100 -2.572 10.209 -11.189 1.00 10.00 C ATOM 1470 C ARG A 100 -3.795 9.467 -10.682 1.00 10.00 C ATOM 1471 O ARG A 100 -4.689 9.130 -11.467 1.00 10.00 O ATOM 1472 CB ARG A 100 -1.323 9.352 -11.041 1.00 10.00 C ATOM 1473 CG ARG A 100 -0.045 10.092 -11.413 1.00 10.00 C ATOM 1474 CD ARG A 100 1.194 9.291 -11.050 1.00 10.00 C ATOM 1475 NE ARG A 100 1.284 8.038 -11.802 1.00 10.00 N ATOM 1476 CZ ARG A 100 2.047 6.985 -11.479 1.00 10.00 C ATOM 1477 NH1 ARG A 100 2.795 6.983 -10.358 1.00 10.00 N ATOM 1478 NH2 ARG A 100 2.060 5.926 -12.267 1.00 10.00 N ATOM 0 H ARG A 100 -1.746 11.358 -9.681 1.00 10.00 H new ATOM 0 HA ARG A 100 -2.725 10.433 -12.245 1.00 10.00 H new ATOM 0 HB2 ARG A 100 -1.248 9.004 -10.011 1.00 10.00 H new ATOM 0 HB3 ARG A 100 -1.420 8.467 -11.670 1.00 10.00 H new ATOM 0 HG2 ARG A 100 -0.043 10.300 -12.483 1.00 10.00 H new ATOM 0 HG3 ARG A 100 -0.019 11.054 -10.901 1.00 10.00 H new ATOM 0 HD2 ARG A 100 2.082 9.893 -11.242 1.00 10.00 H new ATOM 0 HD3 ARG A 100 1.183 9.072 -9.982 1.00 10.00 H new ATOM 0 HE ARG A 100 0.716 7.960 -12.646 1.00 10.00 H new ATOM 0 HH11 ARG A 100 2.787 7.793 -9.738 1.00 10.00 H new ATOM 0 HH12 ARG A 100 3.369 6.172 -10.130 1.00 10.00 H new ATOM 0 HH21 ARG A 100 1.492 5.914 -13.114 1.00 10.00 H new ATOM 0 HH22 ARG A 100 2.638 5.120 -12.029 1.00 10.00 H new ATOM 1492 N PHE A 101 -3.862 9.209 -9.378 1.00 10.00 N ATOM 1493 CA PHE A 101 -4.999 8.466 -8.846 1.00 10.00 C ATOM 1494 C PHE A 101 -5.950 9.293 -8.011 1.00 10.00 C ATOM 1495 O PHE A 101 -7.050 8.851 -7.697 1.00 10.00 O ATOM 1496 CB PHE A 101 -4.585 7.149 -8.176 1.00 10.00 C ATOM 1497 CG PHE A 101 -4.251 6.065 -9.170 1.00 10.00 C ATOM 1498 CD1 PHE A 101 -3.106 6.129 -9.946 1.00 10.00 C ATOM 1499 CD2 PHE A 101 -5.109 4.997 -9.349 1.00 10.00 C ATOM 1500 CE1 PHE A 101 -2.822 5.148 -10.876 1.00 10.00 C ATOM 1501 CE2 PHE A 101 -4.836 4.012 -10.279 1.00 10.00 C ATOM 1502 CZ PHE A 101 -3.690 4.087 -11.044 1.00 10.00 C ATOM 0 H PHE A 101 -3.165 9.493 -8.689 1.00 10.00 H new ATOM 0 HA PHE A 101 -5.588 8.188 -9.720 1.00 10.00 H new ATOM 0 HB2 PHE A 101 -3.720 7.328 -7.537 1.00 10.00 H new ATOM 0 HB3 PHE A 101 -5.393 6.806 -7.530 1.00 10.00 H new ATOM 0 HD1 PHE A 101 -2.425 6.958 -9.822 1.00 10.00 H new ATOM 0 HD2 PHE A 101 -6.007 4.931 -8.753 1.00 10.00 H new ATOM 0 HE1 PHE A 101 -1.923 5.211 -11.471 1.00 10.00 H new ATOM 0 HE2 PHE A 101 -5.518 3.185 -10.407 1.00 10.00 H new ATOM 0 HZ PHE A 101 -3.473 3.319 -11.771 1.00 10.00 H new ATOM 1512 N ALA A 102 -5.506 10.472 -7.666 1.00 10.00 N ATOM 1513 CA ALA A 102 -6.279 11.520 -6.911 1.00 10.00 C ATOM 1514 C ALA A 102 -6.743 11.111 -5.481 1.00 10.00 C ATOM 1515 O ALA A 102 -7.100 11.958 -4.669 1.00 10.00 O ATOM 1516 CB ALA A 102 -7.433 12.077 -7.736 1.00 10.00 C ATOM 0 H ALA A 102 -4.560 10.777 -7.896 1.00 10.00 H new ATOM 0 HA ALA A 102 -5.553 12.315 -6.743 1.00 10.00 H new ATOM 0 HB1 ALA A 102 -7.965 12.830 -7.155 1.00 10.00 H new ATOM 0 HB2 ALA A 102 -7.043 12.530 -8.647 1.00 10.00 H new ATOM 0 HB3 ALA A 102 -8.117 11.269 -7.996 1.00 10.00 H new ATOM 1522 N GLY A 103 -6.719 9.856 -5.200 1.00 10.00 N ATOM 1523 CA GLY A 103 -6.999 9.338 -3.895 1.00 10.00 C ATOM 1524 C GLY A 103 -6.238 8.060 -3.753 1.00 10.00 C ATOM 1525 O GLY A 103 -5.738 7.574 -4.753 1.00 10.00 O ATOM 0 H GLY A 103 -6.498 9.135 -5.887 1.00 10.00 H new ATOM 0 HA2 GLY A 103 -6.700 10.051 -3.126 1.00 10.00 H new ATOM 0 HA3 GLY A 103 -8.068 9.165 -3.771 1.00 10.00 H new ATOM 1529 N TRP A 104 -6.083 7.538 -2.556 1.00 10.00 N ATOM 1530 CA TRP A 104 -5.423 6.247 -2.371 1.00 10.00 C ATOM 1531 C TRP A 104 -6.441 5.130 -2.571 1.00 10.00 C ATOM 1532 O TRP A 104 -7.609 5.297 -2.210 1.00 10.00 O ATOM 1533 CB TRP A 104 -4.706 6.196 -1.004 1.00 10.00 C ATOM 1534 CG TRP A 104 -4.190 4.854 -0.575 1.00 10.00 C ATOM 1535 CD1 TRP A 104 -2.931 4.353 -0.691 1.00 10.00 C ATOM 1536 CD2 TRP A 104 -4.951 3.869 0.074 1.00 10.00 C ATOM 1537 NE1 TRP A 104 -2.893 3.094 -0.154 1.00 10.00 N ATOM 1538 CE2 TRP A 104 -4.136 2.781 0.319 1.00 10.00 C ATOM 1539 CE3 TRP A 104 -6.264 3.815 0.457 1.00 10.00 C ATOM 1540 CZ2 TRP A 104 -4.620 1.651 0.948 1.00 10.00 C ATOM 1541 CZ3 TRP A 104 -6.736 2.758 1.052 1.00 10.00 C ATOM 1542 CH2 TRP A 104 -5.942 1.681 1.304 1.00 10.00 C ATOM 0 H TRP A 104 -6.401 7.980 -1.693 1.00 10.00 H new ATOM 0 HA TRP A 104 -4.642 6.107 -3.119 1.00 10.00 H new ATOM 0 HB2 TRP A 104 -3.868 6.892 -1.031 1.00 10.00 H new ATOM 0 HB3 TRP A 104 -5.396 6.557 -0.242 1.00 10.00 H new ATOM 0 HD1 TRP A 104 -2.093 4.868 -1.137 1.00 10.00 H new ATOM 0 HE1 TRP A 104 -2.072 2.490 -0.114 1.00 10.00 H new ATOM 0 HE3 TRP A 104 -6.913 4.656 0.264 1.00 10.00 H new ATOM 0 HZ2 TRP A 104 -3.993 0.794 1.147 1.00 10.00 H new ATOM 0 HZ3 TRP A 104 -7.774 2.735 1.350 1.00 10.00 H new ATOM 0 HH2 TRP A 104 -6.369 0.822 1.801 1.00 10.00 H new ATOM 1553 N HIS A 105 -6.034 4.015 -3.186 1.00 10.00 N ATOM 1554 CA HIS A 105 -6.980 2.975 -3.492 1.00 10.00 C ATOM 1555 C HIS A 105 -6.521 1.616 -3.000 1.00 10.00 C ATOM 1556 O HIS A 105 -5.352 1.283 -3.067 1.00 10.00 O ATOM 1557 CB HIS A 105 -7.232 2.936 -5.005 1.00 10.00 C ATOM 1558 CG HIS A 105 -7.895 4.170 -5.559 1.00 10.00 C ATOM 1559 ND1 HIS A 105 -7.187 5.234 -6.070 1.00 10.00 N ATOM 1560 CD2 HIS A 105 -9.199 4.500 -5.689 1.00 10.00 C ATOM 1561 CE1 HIS A 105 -8.033 6.157 -6.492 1.00 10.00 C ATOM 1562 NE2 HIS A 105 -9.254 5.740 -6.272 1.00 10.00 N ATOM 0 H HIS A 105 -5.073 3.825 -3.471 1.00 10.00 H new ATOM 0 HA HIS A 105 -7.908 3.207 -2.969 1.00 10.00 H new ATOM 0 HB2 HIS A 105 -6.280 2.790 -5.516 1.00 10.00 H new ATOM 0 HB3 HIS A 105 -7.853 2.070 -5.235 1.00 10.00 H new ATOM 0 HD1 HIS A 105 -6.170 5.300 -6.116 1.00 10.00 H new ATOM 0 HD2 HIS A 105 -10.043 3.897 -5.389 1.00 10.00 H new ATOM 0 HE1 HIS A 105 -7.762 7.100 -6.944 1.00 10.00 H new ATOM 1571 N MET A 106 -7.451 0.881 -2.472 1.00 10.00 N ATOM 1572 CA MET A 106 -7.280 -0.492 -2.069 1.00 10.00 C ATOM 1573 C MET A 106 -8.027 -1.352 -3.068 1.00 10.00 C ATOM 1574 O MET A 106 -9.127 -0.997 -3.488 1.00 10.00 O ATOM 1575 CB MET A 106 -7.810 -0.695 -0.623 1.00 10.00 C ATOM 1576 CG MET A 106 -8.211 -2.127 -0.244 1.00 10.00 C ATOM 1577 SD MET A 106 -6.907 -3.381 -0.394 1.00 10.00 S ATOM 1578 CE MET A 106 -5.821 -2.967 0.972 1.00 10.00 C ATOM 0 H MET A 106 -8.393 1.232 -2.300 1.00 10.00 H new ATOM 0 HA MET A 106 -6.227 -0.773 -2.060 1.00 10.00 H new ATOM 0 HB2 MET A 106 -7.042 -0.358 0.074 1.00 10.00 H new ATOM 0 HB3 MET A 106 -8.675 -0.048 -0.481 1.00 10.00 H new ATOM 0 HG2 MET A 106 -8.568 -2.123 0.786 1.00 10.00 H new ATOM 0 HG3 MET A 106 -9.051 -2.427 -0.871 1.00 10.00 H new ATOM 0 HE1 MET A 106 -4.806 -3.291 0.741 1.00 10.00 H new ATOM 0 HE2 MET A 106 -5.830 -1.889 1.130 1.00 10.00 H new ATOM 0 HE3 MET A 106 -6.165 -3.469 1.876 1.00 10.00 H new ATOM 1588 N GLN A 107 -7.425 -2.443 -3.484 1.00 10.00 N ATOM 1589 CA GLN A 107 -8.034 -3.310 -4.476 1.00 10.00 C ATOM 1590 C GLN A 107 -9.146 -4.174 -3.860 1.00 10.00 C ATOM 1591 O GLN A 107 -10.183 -4.422 -4.491 1.00 10.00 O ATOM 1592 CB GLN A 107 -6.980 -4.209 -5.116 1.00 10.00 C ATOM 1593 CG GLN A 107 -7.520 -5.028 -6.269 1.00 10.00 C ATOM 1594 CD GLN A 107 -6.548 -6.053 -6.786 1.00 10.00 C ATOM 1595 OE1 GLN A 107 -5.327 -5.879 -6.725 1.00 10.00 O ATOM 1596 NE2 GLN A 107 -7.072 -7.116 -7.306 1.00 10.00 N ATOM 0 H GLN A 107 -6.512 -2.754 -3.152 1.00 10.00 H new ATOM 0 HA GLN A 107 -8.479 -2.673 -5.241 1.00 10.00 H new ATOM 0 HB2 GLN A 107 -6.153 -3.594 -5.471 1.00 10.00 H new ATOM 0 HB3 GLN A 107 -6.576 -4.881 -4.359 1.00 10.00 H new ATOM 0 HG2 GLN A 107 -8.432 -5.533 -5.950 1.00 10.00 H new ATOM 0 HG3 GLN A 107 -7.795 -4.357 -7.083 1.00 10.00 H new ATOM 0 HE21 GLN A 107 -8.086 -7.222 -7.337 1.00 10.00 H new ATOM 0 HE22 GLN A 107 -6.471 -7.848 -7.685 1.00 10.00 H new