USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 616 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 21 SER OG : rot -118:sc= 1.54 USER MOD Set 1.2: A 26 CYS SG : rot -20:sc= 0.362 USER MOD Set 1.3: A 71 HIS : no HE2:sc= -0.939 X(o=0.96,f=0.67) USER MOD Set 2.1: A 70 THR OG1 : rot 180:sc= 1.1 USER MOD Set 2.2: A 73 SER OG : rot -78:sc= 1.09 USER MOD Set 3.1: A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 30 CYS SG : rot 180:sc= -0.0284 USER MOD Set 4.2: A 42 MET CE :methyl 164:sc= -0.829 (180deg=-1.74) USER MOD Set 4.3: A 93 CYS SG : rot -170:sc= -3.99! USER MOD Set 5.1: A 25 ASN :FLIP amide:sc= -0.351 F(o=-0.91,f=-0.35) USER MOD Set 5.2: A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.73 K(o=-0.73,f=-1.4!) USER MOD Single : A 20 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.1) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0952) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0856 USER MOD Single : A 35 SER OG : rot -52:sc= 0.125 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.0954 X(o=-0.095,f=-0.13) USER MOD Single : A 45 THR OG1 : rot 79:sc= 0.379 USER MOD Single : A 47 SER OG : rot 180:sc= -0.244 USER MOD Single : A 51 GLN : amide:sc= -0.0278 K(o=-0.028,f=-1.5!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -110:sc= -0.466 USER MOD Single : A 76 HIS : no HD1:sc= -0.0674 X(o=-0.067,f=-0.28) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc=-0.00242 X(o=-0.0024,f=0) USER MOD Single : A 84 THR OG1 : rot -60:sc= -0.121 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 15:sc= -0.131 USER MOD ----------------------------------------------------------------- ATOM 176 N PHE A 14 -12.619 2.123 11.672 1.00 0.00 N ATOM 177 CA PHE A 14 -12.470 3.430 11.045 1.00 0.00 C ATOM 178 C PHE A 14 -12.337 4.527 12.098 1.00 0.00 C ATOM 179 O PHE A 14 -11.588 5.487 11.919 1.00 0.00 O ATOM 180 CB PHE A 14 -13.666 3.723 10.137 1.00 0.00 C ATOM 181 CG PHE A 14 -13.727 5.148 9.665 1.00 0.00 C ATOM 182 CD1 PHE A 14 -13.065 5.539 8.512 1.00 0.00 C ATOM 183 CD2 PHE A 14 -14.445 6.096 10.375 1.00 0.00 C ATOM 184 CE1 PHE A 14 -13.119 6.850 8.075 1.00 0.00 C ATOM 185 CE2 PHE A 14 -14.504 7.408 9.944 1.00 0.00 C ATOM 186 CZ PHE A 14 -13.839 7.785 8.793 1.00 0.00 C ATOM 0 HA PHE A 14 -11.561 3.415 10.444 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -13.624 3.063 9.270 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -14.585 3.487 10.673 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.500 4.811 7.948 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -14.965 5.807 11.276 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.599 7.142 7.174 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -15.069 8.137 10.506 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.882 8.810 8.455 1.00 0.00 H new ATOM 196 N GLU A 15 -13.072 4.376 13.197 1.00 0.00 N ATOM 197 CA GLU A 15 -13.038 5.354 14.278 1.00 0.00 C ATOM 198 C GLU A 15 -11.720 5.273 15.044 1.00 0.00 C ATOM 199 O GLU A 15 -11.353 6.197 15.770 1.00 0.00 O ATOM 200 CB GLU A 15 -14.210 5.132 15.234 1.00 0.00 C ATOM 201 CG GLU A 15 -15.551 5.562 14.664 1.00 0.00 C ATOM 202 CD GLU A 15 -16.721 5.115 15.520 1.00 0.00 C ATOM 203 OE1 GLU A 15 -17.227 3.996 15.292 1.00 0.00 O ATOM 204 OE2 GLU A 15 -17.128 5.883 16.416 1.00 0.00 O ATOM 0 H GLU A 15 -13.697 3.587 13.361 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.122 6.347 13.837 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.258 4.075 15.496 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.024 5.681 16.157 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -15.569 6.648 14.569 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -15.663 5.152 13.660 1.00 0.00 H new ATOM 211 N ASP A 16 -11.014 4.160 14.875 1.00 0.00 N ATOM 212 CA ASP A 16 -9.736 3.957 15.550 1.00 0.00 C ATOM 213 C ASP A 16 -8.578 4.418 14.671 1.00 0.00 C ATOM 214 O ASP A 16 -7.610 5.002 15.157 1.00 0.00 O ATOM 215 CB ASP A 16 -9.558 2.483 15.918 1.00 0.00 C ATOM 216 CG ASP A 16 -9.230 2.288 17.385 1.00 0.00 C ATOM 217 OD1 ASP A 16 -10.127 2.500 18.227 1.00 0.00 O ATOM 218 OD2 ASP A 16 -8.074 1.925 17.691 1.00 0.00 O ATOM 0 H ASP A 16 -11.304 3.386 14.278 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.736 4.554 16.462 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.471 1.939 15.677 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.761 2.053 15.310 1.00 0.00 H new ATOM 223 N VAL A 17 -8.683 4.150 13.373 1.00 0.00 N ATOM 224 CA VAL A 17 -7.645 4.537 12.426 1.00 0.00 C ATOM 225 C VAL A 17 -7.588 6.052 12.262 1.00 0.00 C ATOM 226 O VAL A 17 -6.539 6.613 11.946 1.00 0.00 O ATOM 227 CB VAL A 17 -7.874 3.890 11.047 1.00 0.00 C ATOM 228 CG1 VAL A 17 -6.954 4.511 10.007 1.00 0.00 C ATOM 229 CG2 VAL A 17 -7.668 2.385 11.123 1.00 0.00 C ATOM 0 H VAL A 17 -9.477 3.666 12.954 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.698 4.183 12.832 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.904 4.077 10.744 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.130 4.042 9.039 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.156 5.580 9.934 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.916 4.357 10.302 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.834 1.945 10.140 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.649 2.173 11.448 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.373 1.957 11.836 1.00 0.00 H new ATOM 239 N VAL A 18 -8.723 6.708 12.478 1.00 0.00 N ATOM 240 CA VAL A 18 -8.802 8.159 12.356 1.00 0.00 C ATOM 241 C VAL A 18 -8.346 8.844 13.639 1.00 0.00 C ATOM 242 O VAL A 18 -8.452 10.062 13.776 1.00 0.00 O ATOM 243 CB VAL A 18 -10.235 8.616 12.024 1.00 0.00 C ATOM 244 CG1 VAL A 18 -10.668 8.078 10.669 1.00 0.00 C ATOM 245 CG2 VAL A 18 -11.200 8.177 13.114 1.00 0.00 C ATOM 0 H VAL A 18 -9.601 6.258 12.738 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.139 8.445 11.540 1.00 0.00 H new ATOM 0 HB VAL A 18 -10.248 9.705 11.976 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.683 8.412 10.452 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.992 8.448 9.898 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.640 6.988 10.684 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.208 8.508 12.863 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.185 7.090 13.197 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.900 8.617 14.065 1.00 0.00 H new ATOM 255 N ASN A 19 -7.837 8.052 14.578 1.00 0.00 N ATOM 256 CA ASN A 19 -7.364 8.583 15.851 1.00 0.00 C ATOM 257 C ASN A 19 -5.872 8.323 16.028 1.00 0.00 C ATOM 258 O ASN A 19 -5.179 9.068 16.721 1.00 0.00 O ATOM 259 CB ASN A 19 -8.143 7.957 17.009 1.00 0.00 C ATOM 260 CG ASN A 19 -9.579 8.441 17.070 1.00 0.00 C ATOM 261 OD1 ASN A 19 -9.926 9.461 16.476 1.00 0.00 O ATOM 262 ND2 ASN A 19 -10.420 7.709 17.790 1.00 0.00 N ATOM 0 H ASN A 19 -7.742 7.041 14.481 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.529 9.660 15.851 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.133 6.872 16.906 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.643 8.192 17.949 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.399 7.985 17.868 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.088 6.870 18.266 1.00 0.00 H new ATOM 269 N GLN A 20 -5.382 7.261 15.396 1.00 0.00 N ATOM 270 CA GLN A 20 -3.971 6.902 15.483 1.00 0.00 C ATOM 271 C GLN A 20 -3.087 8.138 15.353 1.00 0.00 C ATOM 272 O GLN A 20 -2.170 8.343 16.148 1.00 0.00 O ATOM 273 CB GLN A 20 -3.613 5.887 14.397 1.00 0.00 C ATOM 274 CG GLN A 20 -3.313 4.498 14.938 1.00 0.00 C ATOM 275 CD GLN A 20 -2.468 3.671 13.987 1.00 0.00 C ATOM 276 OE1 GLN A 20 -1.523 4.175 13.382 1.00 0.00 O ATOM 277 NE2 GLN A 20 -2.807 2.395 13.852 1.00 0.00 N ATOM 0 H GLN A 20 -5.942 6.634 14.818 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.795 6.453 16.461 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.437 5.821 13.687 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.745 6.248 13.845 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.796 4.588 15.893 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.251 3.977 15.131 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.599 2.020 14.374 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.276 1.790 13.226 1.00 0.00 H new ATOM 286 N SER A 21 -3.369 8.957 14.345 1.00 0.00 N ATOM 287 CA SER A 21 -2.596 10.171 14.108 1.00 0.00 C ATOM 288 C SER A 21 -3.514 11.382 13.972 1.00 0.00 C ATOM 289 O SER A 21 -4.718 11.241 13.763 1.00 0.00 O ATOM 290 CB SER A 21 -1.742 10.019 12.847 1.00 0.00 C ATOM 291 OG SER A 21 -2.556 9.853 11.698 1.00 0.00 O ATOM 0 H SER A 21 -4.126 8.802 13.680 1.00 0.00 H new ATOM 0 HA SER A 21 -1.941 10.328 14.965 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.109 10.898 12.724 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.079 9.161 12.954 1.00 0.00 H new ATOM 0 HG SER A 21 -2.376 8.979 11.293 1.00 0.00 H new ATOM 297 N SER A 22 -2.935 12.572 14.094 1.00 0.00 N ATOM 298 CA SER A 22 -3.700 13.808 13.989 1.00 0.00 C ATOM 299 C SER A 22 -4.197 14.020 12.563 1.00 0.00 C ATOM 300 O SER A 22 -3.613 13.533 11.595 1.00 0.00 O ATOM 301 CB SER A 22 -2.846 15.000 14.425 1.00 0.00 C ATOM 302 OG SER A 22 -2.925 15.199 15.826 1.00 0.00 O ATOM 0 H SER A 22 -1.939 12.706 14.266 1.00 0.00 H new ATOM 0 HA SER A 22 -4.564 13.728 14.649 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.808 14.833 14.136 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.180 15.899 13.907 1.00 0.00 H new ATOM 0 HG SER A 22 -2.369 15.965 16.079 1.00 0.00 H new ATOM 308 N PRO A 23 -5.305 14.766 12.427 1.00 0.00 N ATOM 309 CA PRO A 23 -5.906 15.061 11.123 1.00 0.00 C ATOM 310 C PRO A 23 -5.048 16.006 10.289 1.00 0.00 C ATOM 311 O PRO A 23 -4.991 15.893 9.065 1.00 0.00 O ATOM 312 CB PRO A 23 -7.235 15.726 11.488 1.00 0.00 C ATOM 313 CG PRO A 23 -7.009 16.308 12.840 1.00 0.00 C ATOM 314 CD PRO A 23 -6.053 15.380 13.537 1.00 0.00 C ATOM 0 HA PRO A 23 -6.016 14.165 10.512 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.504 16.496 10.765 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.050 15.002 11.500 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.594 17.313 12.767 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.946 16.389 13.391 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.393 15.919 14.217 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.579 14.632 14.130 1.00 0.00 H new ATOM 322 N LYS A 24 -4.382 16.940 10.960 1.00 0.00 N ATOM 323 CA LYS A 24 -3.525 17.906 10.282 1.00 0.00 C ATOM 324 C LYS A 24 -2.503 17.199 9.398 1.00 0.00 C ATOM 325 O LYS A 24 -2.015 17.767 8.422 1.00 0.00 O ATOM 326 CB LYS A 24 -2.806 18.787 11.305 1.00 0.00 C ATOM 327 CG LYS A 24 -1.933 18.008 12.274 1.00 0.00 C ATOM 328 CD LYS A 24 -0.491 17.948 11.799 1.00 0.00 C ATOM 329 CE LYS A 24 0.417 17.331 12.851 1.00 0.00 C ATOM 330 NZ LYS A 24 0.620 18.241 14.011 1.00 0.00 N ATOM 0 H LYS A 24 -4.419 17.049 11.974 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.155 18.533 9.651 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.188 19.513 10.776 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.548 19.351 11.871 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.974 18.475 13.258 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.323 16.996 12.384 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.434 17.365 10.880 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.143 18.953 11.561 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.014 16.392 13.197 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.382 17.093 12.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.371 17.862 14.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.895 19.184 13.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.264 18.314 14.554 1.00 0.00 H new ATOM 344 N ASN A 25 -2.186 15.955 9.745 1.00 0.00 N ATOM 345 CA ASN A 25 -1.223 15.171 8.981 1.00 0.00 C ATOM 346 C ASN A 25 -1.839 13.855 8.516 1.00 0.00 C ATOM 347 O ASN A 25 -1.976 12.912 9.296 1.00 0.00 O ATOM 348 CB ASN A 25 0.024 14.893 9.824 1.00 0.00 C ATOM 349 CG ASN A 25 0.770 13.657 9.362 1.00 0.00 C ATOM 350 OD1 ASN A 25 0.516 12.532 10.020 1.00 0.00 O flip ATOM 351 ND2 ASN A 25 1.566 13.713 8.425 1.00 0.00 N flip ATOM 0 H ASN A 25 -2.582 15.469 10.550 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.938 15.749 8.102 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.690 15.755 9.778 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.266 14.770 10.867 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.730 14.599 7.948 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.061 12.873 8.126 1.00 0.00 H new ATOM 358 N CYS A 26 -2.209 13.799 7.242 1.00 0.00 N ATOM 359 CA CYS A 26 -2.811 12.599 6.671 1.00 0.00 C ATOM 360 C CYS A 26 -1.860 11.929 5.684 1.00 0.00 C ATOM 361 O CYS A 26 -1.703 12.384 4.551 1.00 0.00 O ATOM 362 CB CYS A 26 -4.127 12.946 5.975 1.00 0.00 C ATOM 363 SG CYS A 26 -4.981 14.376 6.679 1.00 0.00 S ATOM 0 H CYS A 26 -2.103 14.571 6.584 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.011 11.901 7.484 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.928 13.138 4.921 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.789 12.082 6.022 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.543 14.593 7.884 1.00 0.00 H new ATOM 369 N THR A 27 -1.226 10.847 6.123 1.00 0.00 N ATOM 370 CA THR A 27 -0.288 10.116 5.280 1.00 0.00 C ATOM 371 C THR A 27 -0.598 8.623 5.278 1.00 0.00 C ATOM 372 O THR A 27 -1.110 8.084 6.260 1.00 0.00 O ATOM 373 CB THR A 27 1.166 10.326 5.744 1.00 0.00 C ATOM 374 OG1 THR A 27 1.413 11.720 5.962 1.00 0.00 O ATOM 375 CG2 THR A 27 2.145 9.787 4.713 1.00 0.00 C ATOM 0 H THR A 27 -1.345 10.457 7.058 1.00 0.00 H new ATOM 0 HA THR A 27 -0.400 10.509 4.269 1.00 0.00 H new ATOM 0 HB THR A 27 1.310 9.782 6.677 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.339 11.846 6.258 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.165 9.946 5.062 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.973 8.720 4.570 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.000 10.308 3.766 1.00 0.00 H new ATOM 383 N VAL A 28 -0.284 7.959 4.171 1.00 0.00 N ATOM 384 CA VAL A 28 -0.527 6.528 4.043 1.00 0.00 C ATOM 385 C VAL A 28 0.743 5.788 3.637 1.00 0.00 C ATOM 386 O VAL A 28 1.196 5.890 2.497 1.00 0.00 O ATOM 387 CB VAL A 28 -1.631 6.236 3.008 1.00 0.00 C ATOM 388 CG1 VAL A 28 -1.740 4.741 2.750 1.00 0.00 C ATOM 389 CG2 VAL A 28 -2.962 6.804 3.476 1.00 0.00 C ATOM 0 H VAL A 28 0.140 8.390 3.349 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.853 6.174 5.021 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.364 6.723 2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.525 4.555 2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.790 4.368 2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.984 4.228 3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.731 6.589 2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.238 6.348 4.427 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.873 7.883 3.604 1.00 0.00 H new ATOM 399 N TYR A 29 1.313 5.044 4.577 1.00 0.00 N ATOM 400 CA TYR A 29 2.534 4.288 4.319 1.00 0.00 C ATOM 401 C TYR A 29 2.209 2.882 3.825 1.00 0.00 C ATOM 402 O TYR A 29 1.786 2.021 4.598 1.00 0.00 O ATOM 403 CB TYR A 29 3.389 4.211 5.585 1.00 0.00 C ATOM 404 CG TYR A 29 4.445 3.130 5.537 1.00 0.00 C ATOM 405 CD1 TYR A 29 4.154 1.829 5.926 1.00 0.00 C ATOM 406 CD2 TYR A 29 5.734 3.411 5.103 1.00 0.00 C ATOM 407 CE1 TYR A 29 5.115 0.838 5.884 1.00 0.00 C ATOM 408 CE2 TYR A 29 6.702 2.426 5.056 1.00 0.00 C ATOM 409 CZ TYR A 29 6.388 1.142 5.448 1.00 0.00 C ATOM 410 OH TYR A 29 7.349 0.158 5.405 1.00 0.00 O ATOM 0 H TYR A 29 0.950 4.947 5.525 1.00 0.00 H new ATOM 0 HA TYR A 29 3.095 4.807 3.541 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.874 5.174 5.745 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.739 4.035 6.442 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.158 1.588 6.268 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.984 4.416 4.797 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.871 -0.169 6.191 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.699 2.661 4.714 1.00 0.00 H new ATOM 0 HH TYR A 29 8.190 0.536 5.074 1.00 0.00 H new ATOM 420 N CYS A 30 2.409 2.656 2.531 1.00 0.00 N ATOM 421 CA CYS A 30 2.138 1.354 1.931 1.00 0.00 C ATOM 422 C CYS A 30 3.429 0.566 1.734 1.00 0.00 C ATOM 423 O CYS A 30 4.270 0.927 0.910 1.00 0.00 O ATOM 424 CB CYS A 30 1.422 1.527 0.591 1.00 0.00 C ATOM 425 SG CYS A 30 0.353 0.139 0.141 1.00 0.00 S ATOM 0 H CYS A 30 2.758 3.357 1.877 1.00 0.00 H new ATOM 0 HA CYS A 30 1.494 0.795 2.610 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.823 2.437 0.626 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.167 1.666 -0.192 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.210 0.379 -1.006 1.00 0.00 H new ATOM 431 N GLY A 31 3.582 -0.510 2.498 1.00 0.00 N ATOM 432 CA GLY A 31 4.774 -1.331 2.394 1.00 0.00 C ATOM 433 C GLY A 31 4.453 -2.791 2.144 1.00 0.00 C ATOM 434 O GLY A 31 3.684 -3.401 2.886 1.00 0.00 O ATOM 0 H GLY A 31 2.901 -0.828 3.188 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.400 -0.956 1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.354 -1.242 3.313 1.00 0.00 H new ATOM 438 N GLY A 32 5.042 -3.354 1.094 1.00 0.00 N ATOM 439 CA GLY A 32 4.800 -4.747 0.765 1.00 0.00 C ATOM 440 C GLY A 32 5.306 -5.113 -0.616 1.00 0.00 C ATOM 441 O GLY A 32 6.036 -6.091 -0.778 1.00 0.00 O ATOM 0 H GLY A 32 5.683 -2.870 0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.285 -5.382 1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.731 -4.950 0.822 1.00 0.00 H new ATOM 445 N ILE A 33 4.916 -4.328 -1.614 1.00 0.00 N ATOM 446 CA ILE A 33 5.334 -4.576 -2.989 1.00 0.00 C ATOM 447 C ILE A 33 6.847 -4.461 -3.132 1.00 0.00 C ATOM 448 O ILE A 33 7.481 -3.624 -2.489 1.00 0.00 O ATOM 449 CB ILE A 33 4.662 -3.594 -3.967 1.00 0.00 C ATOM 450 CG1 ILE A 33 3.143 -3.624 -3.790 1.00 0.00 C ATOM 451 CG2 ILE A 33 5.040 -3.933 -5.401 1.00 0.00 C ATOM 452 CD1 ILE A 33 2.525 -2.251 -3.641 1.00 0.00 C ATOM 0 H ILE A 33 4.311 -3.515 -1.497 1.00 0.00 H new ATOM 0 HA ILE A 33 5.024 -5.591 -3.235 1.00 0.00 H new ATOM 0 HB ILE A 33 5.015 -2.586 -3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.695 -4.124 -4.649 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.899 -4.221 -2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.557 -3.230 -6.080 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.122 -3.866 -5.518 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.712 -4.946 -5.634 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.446 -2.349 -3.520 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.945 -1.756 -2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.738 -1.658 -4.530 1.00 0.00 H new ATOM 464 N ALA A 34 7.422 -5.309 -3.979 1.00 0.00 N ATOM 465 CA ALA A 34 8.861 -5.302 -4.209 1.00 0.00 C ATOM 466 C ALA A 34 9.179 -5.379 -5.699 1.00 0.00 C ATOM 467 O ALA A 34 10.082 -4.701 -6.187 1.00 0.00 O ATOM 468 CB ALA A 34 9.520 -6.454 -3.467 1.00 0.00 C ATOM 0 H ALA A 34 6.912 -6.010 -4.517 1.00 0.00 H new ATOM 0 HA ALA A 34 9.260 -4.363 -3.827 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.595 -6.436 -3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.330 -6.354 -2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.108 -7.399 -3.822 1.00 0.00 H new ATOM 474 N SER A 35 8.430 -6.211 -6.417 1.00 0.00 N ATOM 475 CA SER A 35 8.635 -6.380 -7.850 1.00 0.00 C ATOM 476 C SER A 35 7.441 -5.848 -8.637 1.00 0.00 C ATOM 477 O SER A 35 7.188 -6.270 -9.765 1.00 0.00 O ATOM 478 CB SER A 35 8.863 -7.855 -8.184 1.00 0.00 C ATOM 479 OG SER A 35 9.490 -8.003 -9.447 1.00 0.00 O ATOM 0 H SER A 35 7.676 -6.778 -6.029 1.00 0.00 H new ATOM 0 HA SER A 35 9.519 -5.809 -8.134 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.481 -8.314 -7.412 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.909 -8.382 -8.184 1.00 0.00 H new ATOM 0 HG SER A 35 8.988 -7.501 -10.122 1.00 0.00 H new ATOM 485 N GLY A 36 6.709 -4.918 -8.033 1.00 0.00 N ATOM 486 CA GLY A 36 5.550 -4.342 -8.689 1.00 0.00 C ATOM 487 C GLY A 36 5.157 -3.001 -8.103 1.00 0.00 C ATOM 488 O GLY A 36 3.973 -2.669 -8.032 1.00 0.00 O ATOM 0 H GLY A 36 6.898 -4.553 -7.100 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.760 -4.223 -9.752 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.710 -5.031 -8.606 1.00 0.00 H new ATOM 492 N LEU A 37 6.151 -2.228 -7.679 1.00 0.00 N ATOM 493 CA LEU A 37 5.903 -0.915 -7.093 1.00 0.00 C ATOM 494 C LEU A 37 5.990 0.179 -8.152 1.00 0.00 C ATOM 495 O LEU A 37 7.079 0.546 -8.594 1.00 0.00 O ATOM 496 CB LEU A 37 6.907 -0.637 -5.973 1.00 0.00 C ATOM 497 CG LEU A 37 6.353 0.066 -4.734 1.00 0.00 C ATOM 498 CD1 LEU A 37 7.448 0.852 -4.030 1.00 0.00 C ATOM 499 CD2 LEU A 37 5.196 0.980 -5.112 1.00 0.00 C ATOM 0 H LEU A 37 7.136 -2.488 -7.730 1.00 0.00 H new ATOM 0 HA LEU A 37 4.895 -0.914 -6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.346 -1.585 -5.662 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.716 -0.030 -6.380 1.00 0.00 H new ATOM 0 HG LEU A 37 5.981 -0.693 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.034 1.345 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.244 0.173 -3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.852 1.602 -4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.814 1.472 -4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.543 1.732 -5.820 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.401 0.391 -5.569 1.00 0.00 H new ATOM 511 N THR A 38 4.835 0.698 -8.555 1.00 0.00 N ATOM 512 CA THR A 38 4.779 1.751 -9.562 1.00 0.00 C ATOM 513 C THR A 38 3.778 2.832 -9.172 1.00 0.00 C ATOM 514 O THR A 38 2.697 2.537 -8.664 1.00 0.00 O ATOM 515 CB THR A 38 4.397 1.188 -10.944 1.00 0.00 C ATOM 516 OG1 THR A 38 3.200 0.408 -10.841 1.00 0.00 O ATOM 517 CG2 THR A 38 5.519 0.329 -11.508 1.00 0.00 C ATOM 0 H THR A 38 3.925 0.406 -8.199 1.00 0.00 H new ATOM 0 HA THR A 38 5.777 2.187 -9.619 1.00 0.00 H new ATOM 0 HB THR A 38 4.228 2.027 -11.619 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.963 0.055 -11.724 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.226 -0.057 -12.484 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.421 0.932 -11.612 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.715 -0.504 -10.832 1.00 0.00 H new ATOM 525 N ASP A 39 4.145 4.086 -9.414 1.00 0.00 N ATOM 526 CA ASP A 39 3.277 5.213 -9.090 1.00 0.00 C ATOM 527 C ASP A 39 1.874 4.995 -9.647 1.00 0.00 C ATOM 528 O ASP A 39 0.895 5.496 -9.095 1.00 0.00 O ATOM 529 CB ASP A 39 3.865 6.512 -9.644 1.00 0.00 C ATOM 530 CG ASP A 39 2.795 7.519 -10.012 1.00 0.00 C ATOM 531 OD1 ASP A 39 2.317 7.483 -11.165 1.00 0.00 O ATOM 532 OD2 ASP A 39 2.435 8.347 -9.148 1.00 0.00 O ATOM 0 H ASP A 39 5.037 4.348 -9.833 1.00 0.00 H new ATOM 0 HA ASP A 39 3.209 5.289 -8.005 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.533 6.950 -8.903 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.468 6.288 -10.524 1.00 0.00 H new ATOM 537 N GLN A 40 1.787 4.249 -10.743 1.00 0.00 N ATOM 538 CA GLN A 40 0.503 3.968 -11.375 1.00 0.00 C ATOM 539 C GLN A 40 -0.319 2.998 -10.532 1.00 0.00 C ATOM 540 O GLN A 40 -1.548 3.064 -10.512 1.00 0.00 O ATOM 541 CB GLN A 40 0.715 3.392 -12.775 1.00 0.00 C ATOM 542 CG GLN A 40 -0.548 3.363 -13.620 1.00 0.00 C ATOM 543 CD GLN A 40 -0.319 2.764 -14.994 1.00 0.00 C ATOM 544 OE1 GLN A 40 -0.309 1.543 -15.156 1.00 0.00 O ATOM 545 NE2 GLN A 40 -0.134 3.621 -15.991 1.00 0.00 N ATOM 0 H GLN A 40 2.589 3.828 -11.212 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.046 4.906 -11.455 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.473 3.982 -13.290 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.106 2.378 -12.686 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.315 2.788 -13.101 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.930 4.378 -13.730 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.150 4.625 -15.810 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.025 3.276 -16.938 1.00 0.00 H new ATOM 554 N LEU A 41 0.369 2.098 -9.837 1.00 0.00 N ATOM 555 CA LEU A 41 -0.296 1.113 -8.992 1.00 0.00 C ATOM 556 C LEU A 41 -0.907 1.774 -7.760 1.00 0.00 C ATOM 557 O LEU A 41 -2.095 1.617 -7.484 1.00 0.00 O ATOM 558 CB LEU A 41 0.692 0.027 -8.565 1.00 0.00 C ATOM 559 CG LEU A 41 0.123 -1.097 -7.697 1.00 0.00 C ATOM 560 CD1 LEU A 41 -0.984 -1.833 -8.437 1.00 0.00 C ATOM 561 CD2 LEU A 41 1.224 -2.061 -7.283 1.00 0.00 C ATOM 0 H LEU A 41 1.387 2.031 -9.842 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.099 0.657 -9.572 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.123 -0.417 -9.462 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.509 0.501 -8.021 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.302 -0.655 -6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.377 -2.629 -7.805 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.785 -1.135 -8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.584 -2.263 -9.355 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.801 -2.854 -6.666 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.679 -2.497 -8.172 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.983 -1.524 -6.713 1.00 0.00 H new ATOM 573 N MET A 42 -0.084 2.516 -7.027 1.00 0.00 N ATOM 574 CA MET A 42 -0.544 3.205 -5.826 1.00 0.00 C ATOM 575 C MET A 42 -1.647 4.205 -6.161 1.00 0.00 C ATOM 576 O MET A 42 -2.653 4.291 -5.457 1.00 0.00 O ATOM 577 CB MET A 42 0.622 3.924 -5.146 1.00 0.00 C ATOM 578 CG MET A 42 1.582 2.986 -4.433 1.00 0.00 C ATOM 579 SD MET A 42 0.785 2.044 -3.118 1.00 0.00 S ATOM 580 CE MET A 42 0.718 0.416 -3.861 1.00 0.00 C ATOM 0 H MET A 42 0.903 2.656 -7.243 1.00 0.00 H new ATOM 0 HA MET A 42 -0.949 2.459 -5.143 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.173 4.494 -5.894 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.226 4.641 -4.427 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.015 2.296 -5.157 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.404 3.565 -4.013 1.00 0.00 H new ATOM 0 HE1 MET A 42 0.521 -0.328 -3.089 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.079 0.388 -4.605 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.671 0.196 -4.342 1.00 0.00 H new ATOM 590 N ARG A 43 -1.450 4.956 -7.239 1.00 0.00 N ATOM 591 CA ARG A 43 -2.427 5.950 -7.666 1.00 0.00 C ATOM 592 C ARG A 43 -3.748 5.286 -8.044 1.00 0.00 C ATOM 593 O ARG A 43 -4.820 5.755 -7.663 1.00 0.00 O ATOM 594 CB ARG A 43 -1.888 6.749 -8.854 1.00 0.00 C ATOM 595 CG ARG A 43 -2.809 7.873 -9.300 1.00 0.00 C ATOM 596 CD ARG A 43 -2.022 9.104 -9.723 1.00 0.00 C ATOM 597 NE ARG A 43 -2.377 10.279 -8.932 1.00 0.00 N ATOM 598 CZ ARG A 43 -1.762 11.451 -9.042 1.00 0.00 C ATOM 599 NH1 ARG A 43 -0.769 11.604 -9.906 1.00 0.00 N ATOM 600 NH2 ARG A 43 -2.142 12.474 -8.286 1.00 0.00 N ATOM 0 H ARG A 43 -0.623 4.895 -7.833 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.606 6.628 -6.832 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.918 7.169 -8.588 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.723 6.072 -9.692 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.426 7.531 -10.131 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.486 8.134 -8.487 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.955 8.906 -9.619 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.207 9.308 -10.778 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.138 10.195 -8.259 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.475 10.820 -10.489 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.299 12.505 -9.988 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.906 12.360 -7.620 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.669 13.374 -8.371 1.00 0.00 H new ATOM 614 N GLN A 44 -3.661 4.194 -8.796 1.00 0.00 N ATOM 615 CA GLN A 44 -4.850 3.467 -9.226 1.00 0.00 C ATOM 616 C GLN A 44 -5.549 2.814 -8.038 1.00 0.00 C ATOM 617 O GLN A 44 -6.778 2.780 -7.969 1.00 0.00 O ATOM 618 CB GLN A 44 -4.477 2.404 -10.261 1.00 0.00 C ATOM 619 CG GLN A 44 -5.659 1.906 -11.075 1.00 0.00 C ATOM 620 CD GLN A 44 -6.326 0.693 -10.456 1.00 0.00 C ATOM 621 OE1 GLN A 44 -5.702 -0.355 -10.289 1.00 0.00 O ATOM 622 NE2 GLN A 44 -7.601 0.830 -10.110 1.00 0.00 N ATOM 0 H GLN A 44 -2.781 3.793 -9.120 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.537 4.181 -9.680 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.728 2.815 -10.938 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.016 1.558 -9.751 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.391 2.708 -11.173 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.323 1.657 -12.081 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.079 1.717 -10.267 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.102 0.048 -9.688 1.00 0.00 H new ATOM 631 N THR A 45 -4.758 2.297 -7.103 1.00 0.00 N ATOM 632 CA THR A 45 -5.301 1.644 -5.919 1.00 0.00 C ATOM 633 C THR A 45 -6.009 2.645 -5.015 1.00 0.00 C ATOM 634 O THR A 45 -7.135 2.411 -4.574 1.00 0.00 O ATOM 635 CB THR A 45 -4.196 0.934 -5.113 1.00 0.00 C ATOM 636 OG1 THR A 45 -3.720 -0.208 -5.835 1.00 0.00 O ATOM 637 CG2 THR A 45 -4.716 0.498 -3.751 1.00 0.00 C ATOM 0 H THR A 45 -3.739 2.318 -7.143 1.00 0.00 H new ATOM 0 HA THR A 45 -6.020 0.903 -6.268 1.00 0.00 H new ATOM 0 HB THR A 45 -3.376 1.637 -4.964 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.094 0.083 -6.531 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.919 -0.001 -3.200 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.051 1.372 -3.193 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.551 -0.190 -3.884 1.00 0.00 H new ATOM 645 N PHE A 46 -5.344 3.763 -4.743 1.00 0.00 N ATOM 646 CA PHE A 46 -5.911 4.802 -3.890 1.00 0.00 C ATOM 647 C PHE A 46 -6.819 5.729 -4.694 1.00 0.00 C ATOM 648 O PHE A 46 -7.640 6.453 -4.129 1.00 0.00 O ATOM 649 CB PHE A 46 -4.796 5.611 -3.226 1.00 0.00 C ATOM 650 CG PHE A 46 -3.960 4.806 -2.272 1.00 0.00 C ATOM 651 CD1 PHE A 46 -4.543 4.159 -1.195 1.00 0.00 C ATOM 652 CD2 PHE A 46 -2.590 4.699 -2.452 1.00 0.00 C ATOM 653 CE1 PHE A 46 -3.775 3.417 -0.315 1.00 0.00 C ATOM 654 CE2 PHE A 46 -1.818 3.959 -1.577 1.00 0.00 C ATOM 655 CZ PHE A 46 -2.411 3.319 -0.507 1.00 0.00 C ATOM 0 H PHE A 46 -4.412 3.973 -5.101 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.508 4.318 -3.117 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.151 6.029 -3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.237 6.452 -2.690 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.609 4.234 -1.040 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.120 5.200 -3.286 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.241 2.916 0.520 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.752 3.881 -1.730 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.809 2.742 0.179 1.00 0.00 H new ATOM 665 N SER A 47 -6.663 5.703 -6.013 1.00 0.00 N ATOM 666 CA SER A 47 -7.464 6.544 -6.895 1.00 0.00 C ATOM 667 C SER A 47 -8.887 6.686 -6.365 1.00 0.00 C ATOM 668 O SER A 47 -9.358 7.782 -6.060 1.00 0.00 O ATOM 669 CB SER A 47 -7.490 5.960 -8.308 1.00 0.00 C ATOM 670 OG SER A 47 -8.769 6.109 -8.899 1.00 0.00 O ATOM 0 H SER A 47 -5.989 5.108 -6.495 1.00 0.00 H new ATOM 0 HA SER A 47 -7.006 7.533 -6.927 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.741 6.458 -8.924 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.223 4.904 -8.273 1.00 0.00 H new ATOM 0 HG SER A 47 -8.758 5.729 -9.802 1.00 0.00 H new ATOM 676 N PRO A 48 -9.592 5.549 -6.252 1.00 0.00 N ATOM 677 CA PRO A 48 -10.972 5.519 -5.759 1.00 0.00 C ATOM 678 C PRO A 48 -11.062 5.838 -4.270 1.00 0.00 C ATOM 679 O PRO A 48 -11.893 6.642 -3.847 1.00 0.00 O ATOM 680 CB PRO A 48 -11.412 4.077 -6.025 1.00 0.00 C ATOM 681 CG PRO A 48 -10.146 3.292 -6.036 1.00 0.00 C ATOM 682 CD PRO A 48 -9.094 4.208 -6.597 1.00 0.00 C ATOM 0 HA PRO A 48 -11.597 6.267 -6.248 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -12.092 3.721 -5.251 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.939 3.993 -6.976 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -9.882 2.964 -5.031 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.248 2.395 -6.647 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.116 4.016 -6.155 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.986 4.084 -7.675 1.00 0.00 H new ATOM 690 N PHE A 49 -10.203 5.202 -3.481 1.00 0.00 N ATOM 691 CA PHE A 49 -10.186 5.418 -2.038 1.00 0.00 C ATOM 692 C PHE A 49 -10.219 6.908 -1.711 1.00 0.00 C ATOM 693 O PHE A 49 -10.575 7.303 -0.601 1.00 0.00 O ATOM 694 CB PHE A 49 -8.943 4.775 -1.420 1.00 0.00 C ATOM 695 CG PHE A 49 -9.102 3.308 -1.141 1.00 0.00 C ATOM 696 CD1 PHE A 49 -10.082 2.856 -0.271 1.00 0.00 C ATOM 697 CD2 PHE A 49 -8.272 2.380 -1.749 1.00 0.00 C ATOM 698 CE1 PHE A 49 -10.231 1.507 -0.014 1.00 0.00 C ATOM 699 CE2 PHE A 49 -8.417 1.029 -1.496 1.00 0.00 C ATOM 700 CZ PHE A 49 -9.397 0.592 -0.626 1.00 0.00 C ATOM 0 H PHE A 49 -9.510 4.533 -3.816 1.00 0.00 H new ATOM 0 HA PHE A 49 -11.076 4.952 -1.615 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.097 4.919 -2.092 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.702 5.289 -0.490 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -10.737 3.567 0.211 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.503 2.716 -2.428 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -10.999 1.168 0.665 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.765 0.316 -1.978 1.00 0.00 H new ATOM 0 HZ PHE A 49 -9.511 -0.463 -0.425 1.00 0.00 H new ATOM 710 N GLY A 50 -9.843 7.731 -2.685 1.00 0.00 N ATOM 711 CA GLY A 50 -9.835 9.167 -2.482 1.00 0.00 C ATOM 712 C GLY A 50 -8.841 9.875 -3.382 1.00 0.00 C ATOM 713 O GLY A 50 -8.202 9.247 -4.225 1.00 0.00 O ATOM 0 H GLY A 50 -9.544 7.428 -3.612 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.834 9.562 -2.667 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.595 9.382 -1.441 1.00 0.00 H new ATOM 717 N GLN A 51 -8.713 11.186 -3.203 1.00 0.00 N ATOM 718 CA GLN A 51 -7.792 11.980 -4.009 1.00 0.00 C ATOM 719 C GLN A 51 -6.408 12.021 -3.369 1.00 0.00 C ATOM 720 O GLN A 51 -6.278 12.198 -2.158 1.00 0.00 O ATOM 721 CB GLN A 51 -8.328 13.401 -4.184 1.00 0.00 C ATOM 722 CG GLN A 51 -7.990 14.017 -5.531 1.00 0.00 C ATOM 723 CD GLN A 51 -8.793 15.271 -5.818 1.00 0.00 C ATOM 724 OE1 GLN A 51 -9.813 15.529 -5.178 1.00 0.00 O ATOM 725 NE2 GLN A 51 -8.335 16.059 -6.784 1.00 0.00 N ATOM 0 H GLN A 51 -9.235 11.720 -2.508 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.707 11.509 -4.988 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.411 13.390 -4.061 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -7.924 14.033 -3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.927 14.256 -5.560 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.174 13.285 -6.317 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.485 15.806 -7.289 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.833 16.917 -7.021 1.00 0.00 H new ATOM 734 N ILE A 52 -5.376 11.857 -4.191 1.00 0.00 N ATOM 735 CA ILE A 52 -4.002 11.877 -3.706 1.00 0.00 C ATOM 736 C ILE A 52 -3.317 13.195 -4.050 1.00 0.00 C ATOM 737 O ILE A 52 -3.609 13.809 -5.076 1.00 0.00 O ATOM 738 CB ILE A 52 -3.180 10.715 -4.294 1.00 0.00 C ATOM 739 CG1 ILE A 52 -3.992 9.418 -4.256 1.00 0.00 C ATOM 740 CG2 ILE A 52 -1.874 10.551 -3.532 1.00 0.00 C ATOM 741 CD1 ILE A 52 -3.551 8.400 -5.285 1.00 0.00 C ATOM 0 H ILE A 52 -5.466 11.709 -5.196 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.048 11.766 -2.623 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.945 10.945 -5.333 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.911 8.977 -3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.044 9.653 -4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.304 9.726 -3.960 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.292 11.470 -3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.088 10.340 -2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.169 7.506 -5.201 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.658 8.823 -6.284 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.507 8.137 -5.112 1.00 0.00 H new ATOM 753 N MET A 53 -2.402 13.624 -3.187 1.00 0.00 N ATOM 754 CA MET A 53 -1.672 14.867 -3.402 1.00 0.00 C ATOM 755 C MET A 53 -0.243 14.588 -3.856 1.00 0.00 C ATOM 756 O MET A 53 0.281 15.267 -4.738 1.00 0.00 O ATOM 757 CB MET A 53 -1.657 15.703 -2.120 1.00 0.00 C ATOM 758 CG MET A 53 -3.000 16.338 -1.794 1.00 0.00 C ATOM 759 SD MET A 53 -3.279 17.874 -2.697 1.00 0.00 S ATOM 760 CE MET A 53 -4.714 17.434 -3.675 1.00 0.00 C ATOM 0 H MET A 53 -2.149 13.129 -2.332 1.00 0.00 H new ATOM 0 HA MET A 53 -2.181 15.426 -4.187 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.351 15.070 -1.287 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.907 16.488 -2.216 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.797 15.633 -2.029 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.054 16.535 -0.723 1.00 0.00 H new ATOM 0 HE1 MET A 53 -5.010 18.284 -4.290 1.00 0.00 H new ATOM 0 HE2 MET A 53 -4.471 16.588 -4.318 1.00 0.00 H new ATOM 0 HE3 MET A 53 -5.536 17.162 -3.013 1.00 0.00 H new ATOM 770 N GLU A 54 0.381 13.584 -3.247 1.00 0.00 N ATOM 771 CA GLU A 54 1.750 13.217 -3.589 1.00 0.00 C ATOM 772 C GLU A 54 1.969 11.716 -3.421 1.00 0.00 C ATOM 773 O GLU A 54 1.475 11.109 -2.472 1.00 0.00 O ATOM 774 CB GLU A 54 2.742 13.989 -2.717 1.00 0.00 C ATOM 775 CG GLU A 54 4.164 13.978 -3.255 1.00 0.00 C ATOM 776 CD GLU A 54 5.204 14.085 -2.158 1.00 0.00 C ATOM 777 OE1 GLU A 54 5.378 13.101 -1.408 1.00 0.00 O ATOM 778 OE2 GLU A 54 5.843 15.152 -2.048 1.00 0.00 O ATOM 0 H GLU A 54 -0.039 13.011 -2.515 1.00 0.00 H new ATOM 0 HA GLU A 54 1.918 13.477 -4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.405 15.022 -2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.739 13.563 -1.714 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.328 13.059 -3.818 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.291 14.806 -3.953 1.00 0.00 H new ATOM 785 N ILE A 55 2.712 11.126 -4.351 1.00 0.00 N ATOM 786 CA ILE A 55 2.997 9.697 -4.306 1.00 0.00 C ATOM 787 C ILE A 55 4.490 9.428 -4.460 1.00 0.00 C ATOM 788 O ILE A 55 5.126 9.919 -5.393 1.00 0.00 O ATOM 789 CB ILE A 55 2.234 8.936 -5.407 1.00 0.00 C ATOM 790 CG1 ILE A 55 0.729 8.980 -5.139 1.00 0.00 C ATOM 791 CG2 ILE A 55 2.721 7.497 -5.490 1.00 0.00 C ATOM 792 CD1 ILE A 55 -0.080 8.127 -6.091 1.00 0.00 C ATOM 0 H ILE A 55 3.127 11.615 -5.144 1.00 0.00 H new ATOM 0 HA ILE A 55 2.665 9.340 -3.331 1.00 0.00 H new ATOM 0 HB ILE A 55 2.427 9.421 -6.364 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.540 8.649 -4.118 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.386 10.012 -5.208 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.173 6.972 -6.272 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.786 7.486 -5.723 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.554 7.001 -4.534 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.138 8.207 -5.841 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.079 8.472 -7.113 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.236 7.087 -6.006 1.00 0.00 H new ATOM 804 N ARG A 56 5.043 8.646 -3.538 1.00 0.00 N ATOM 805 CA ARG A 56 6.462 8.312 -3.571 1.00 0.00 C ATOM 806 C ARG A 56 6.668 6.804 -3.466 1.00 0.00 C ATOM 807 O ARG A 56 6.507 6.218 -2.395 1.00 0.00 O ATOM 808 CB ARG A 56 7.201 9.019 -2.434 1.00 0.00 C ATOM 809 CG ARG A 56 8.347 9.899 -2.906 1.00 0.00 C ATOM 810 CD ARG A 56 9.399 9.092 -3.650 1.00 0.00 C ATOM 811 NE ARG A 56 9.813 9.743 -4.890 1.00 0.00 N ATOM 812 CZ ARG A 56 10.499 10.879 -4.929 1.00 0.00 C ATOM 813 NH1 ARG A 56 10.849 11.487 -3.803 1.00 0.00 N ATOM 814 NH2 ARG A 56 10.839 11.410 -6.097 1.00 0.00 N ATOM 0 H ARG A 56 4.530 8.232 -2.759 1.00 0.00 H new ATOM 0 HA ARG A 56 6.867 8.651 -4.524 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.492 9.630 -1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.590 8.270 -1.744 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.961 10.683 -3.557 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.805 10.393 -2.049 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.268 8.950 -3.008 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.004 8.101 -3.875 1.00 0.00 H new ATOM 0 HE ARG A 56 9.561 9.301 -5.774 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.591 11.082 -2.903 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.376 12.360 -3.837 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.573 10.945 -6.965 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.366 12.283 -6.126 1.00 0.00 H new ATOM 828 N VAL A 57 7.023 6.180 -4.586 1.00 0.00 N ATOM 829 CA VAL A 57 7.252 4.741 -4.620 1.00 0.00 C ATOM 830 C VAL A 57 8.734 4.417 -4.473 1.00 0.00 C ATOM 831 O VAL A 57 9.580 5.004 -5.148 1.00 0.00 O ATOM 832 CB VAL A 57 6.729 4.120 -5.928 1.00 0.00 C ATOM 833 CG1 VAL A 57 5.322 4.615 -6.228 1.00 0.00 C ATOM 834 CG2 VAL A 57 7.671 4.435 -7.080 1.00 0.00 C ATOM 0 H VAL A 57 7.158 6.650 -5.481 1.00 0.00 H new ATOM 0 HA VAL A 57 6.705 4.314 -3.780 1.00 0.00 H new ATOM 0 HB VAL A 57 6.689 3.037 -5.807 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.968 4.166 -7.156 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.656 4.334 -5.412 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.332 5.700 -6.331 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.286 3.989 -7.997 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.744 5.515 -7.205 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.659 4.027 -6.864 1.00 0.00 H new ATOM 844 N PHE A 58 9.044 3.476 -3.587 1.00 0.00 N ATOM 845 CA PHE A 58 10.425 3.072 -3.352 1.00 0.00 C ATOM 846 C PHE A 58 10.602 1.575 -3.583 1.00 0.00 C ATOM 847 O PHE A 58 10.571 0.769 -2.654 1.00 0.00 O ATOM 848 CB PHE A 58 10.848 3.432 -1.925 1.00 0.00 C ATOM 849 CG PHE A 58 11.168 4.888 -1.744 1.00 0.00 C ATOM 850 CD1 PHE A 58 10.163 5.805 -1.482 1.00 0.00 C ATOM 851 CD2 PHE A 58 12.474 5.341 -1.835 1.00 0.00 C ATOM 852 CE1 PHE A 58 10.454 7.145 -1.315 1.00 0.00 C ATOM 853 CE2 PHE A 58 12.773 6.680 -1.669 1.00 0.00 C ATOM 854 CZ PHE A 58 11.762 7.584 -1.408 1.00 0.00 C ATOM 0 H PHE A 58 8.357 2.979 -3.020 1.00 0.00 H new ATOM 0 HA PHE A 58 11.058 3.608 -4.059 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.049 3.156 -1.237 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.722 2.840 -1.653 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.140 5.468 -1.407 1.00 0.00 H new ATOM 0 HD2 PHE A 58 13.269 4.639 -2.038 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.661 7.849 -1.112 1.00 0.00 H new ATOM 0 HE2 PHE A 58 13.796 7.019 -1.743 1.00 0.00 H new ATOM 0 HZ PHE A 58 11.992 8.631 -1.277 1.00 0.00 H new ATOM 864 N PRO A 59 10.791 1.192 -4.855 1.00 0.00 N ATOM 865 CA PRO A 59 10.975 -0.210 -5.240 1.00 0.00 C ATOM 866 C PRO A 59 12.314 -0.769 -4.771 1.00 0.00 C ATOM 867 O PRO A 59 12.588 -1.959 -4.925 1.00 0.00 O ATOM 868 CB PRO A 59 10.921 -0.168 -6.770 1.00 0.00 C ATOM 869 CG PRO A 59 11.338 1.217 -7.126 1.00 0.00 C ATOM 870 CD PRO A 59 10.838 2.098 -6.015 1.00 0.00 C ATOM 0 HA PRO A 59 10.223 -0.858 -4.790 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.589 -0.908 -7.210 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.918 -0.386 -7.137 1.00 0.00 H new ATOM 0 HG2 PRO A 59 12.422 1.286 -7.221 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.914 1.518 -8.084 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.506 2.941 -5.839 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.855 2.512 -6.242 1.00 0.00 H new ATOM 878 N GLU A 60 13.143 0.097 -4.197 1.00 0.00 N ATOM 879 CA GLU A 60 14.454 -0.311 -3.705 1.00 0.00 C ATOM 880 C GLU A 60 14.404 -0.618 -2.212 1.00 0.00 C ATOM 881 O GLU A 60 15.143 -1.468 -1.714 1.00 0.00 O ATOM 882 CB GLU A 60 15.489 0.782 -3.979 1.00 0.00 C ATOM 883 CG GLU A 60 15.396 1.961 -3.024 1.00 0.00 C ATOM 884 CD GLU A 60 16.665 2.791 -2.995 1.00 0.00 C ATOM 885 OE1 GLU A 60 17.747 2.212 -2.766 1.00 0.00 O ATOM 886 OE2 GLU A 60 16.574 4.018 -3.202 1.00 0.00 O ATOM 0 H GLU A 60 12.930 1.085 -4.061 1.00 0.00 H new ATOM 0 HA GLU A 60 14.746 -1.218 -4.234 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.488 0.350 -3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.364 1.142 -5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.559 2.595 -3.316 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.183 1.594 -2.020 1.00 0.00 H new ATOM 893 N LYS A 61 13.526 0.080 -1.500 1.00 0.00 N ATOM 894 CA LYS A 61 13.375 -0.115 -0.063 1.00 0.00 C ATOM 895 C LYS A 61 12.236 -1.083 0.238 1.00 0.00 C ATOM 896 O LYS A 61 12.292 -1.841 1.205 1.00 0.00 O ATOM 897 CB LYS A 61 13.119 1.224 0.631 1.00 0.00 C ATOM 898 CG LYS A 61 14.354 1.815 1.288 1.00 0.00 C ATOM 899 CD LYS A 61 14.886 3.004 0.505 1.00 0.00 C ATOM 900 CE LYS A 61 15.792 3.876 1.362 1.00 0.00 C ATOM 901 NZ LYS A 61 16.547 4.864 0.543 1.00 0.00 N ATOM 0 H LYS A 61 12.907 0.787 -1.896 1.00 0.00 H new ATOM 0 HA LYS A 61 14.302 -0.543 0.319 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.732 1.934 -0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.345 1.090 1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.113 2.126 2.305 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.128 1.051 1.363 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.438 2.650 -0.366 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.052 3.599 0.134 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.193 4.402 2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 61 16.493 3.245 1.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 17.152 5.439 1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 17.138 4.361 -0.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.878 5.483 0.042 1.00 0.00 H new ATOM 915 N GLY A 62 11.202 -1.052 -0.598 1.00 0.00 N ATOM 916 CA GLY A 62 10.065 -1.932 -0.404 1.00 0.00 C ATOM 917 C GLY A 62 8.905 -1.238 0.284 1.00 0.00 C ATOM 918 O GLY A 62 8.209 -1.841 1.101 1.00 0.00 O ATOM 0 H GLY A 62 11.132 -0.433 -1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.735 -2.313 -1.371 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.373 -2.793 0.189 1.00 0.00 H new ATOM 922 N TYR A 63 8.698 0.032 -0.047 1.00 0.00 N ATOM 923 CA TYR A 63 7.618 0.810 0.548 1.00 0.00 C ATOM 924 C TYR A 63 7.268 2.012 -0.324 1.00 0.00 C ATOM 925 O TYR A 63 8.006 2.360 -1.245 1.00 0.00 O ATOM 926 CB TYR A 63 8.011 1.280 1.950 1.00 0.00 C ATOM 927 CG TYR A 63 8.957 2.458 1.950 1.00 0.00 C ATOM 928 CD1 TYR A 63 8.503 3.740 1.668 1.00 0.00 C ATOM 929 CD2 TYR A 63 10.308 2.289 2.234 1.00 0.00 C ATOM 930 CE1 TYR A 63 9.366 4.820 1.666 1.00 0.00 C ATOM 931 CE2 TYR A 63 11.177 3.363 2.236 1.00 0.00 C ATOM 932 CZ TYR A 63 10.701 4.627 1.951 1.00 0.00 C ATOM 933 OH TYR A 63 11.562 5.699 1.952 1.00 0.00 O ATOM 0 H TYR A 63 9.264 0.544 -0.724 1.00 0.00 H new ATOM 0 HA TYR A 63 6.740 0.168 0.620 1.00 0.00 H new ATOM 0 HB2 TYR A 63 7.109 1.549 2.500 1.00 0.00 H new ATOM 0 HB3 TYR A 63 8.476 0.452 2.485 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.458 3.896 1.446 1.00 0.00 H new ATOM 0 HD2 TYR A 63 10.684 1.301 2.457 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.996 5.810 1.442 1.00 0.00 H new ATOM 0 HE2 TYR A 63 12.223 3.214 2.459 1.00 0.00 H new ATOM 0 HH TYR A 63 12.466 5.392 2.173 1.00 0.00 H new ATOM 943 N SER A 64 6.137 2.643 -0.024 1.00 0.00 N ATOM 944 CA SER A 64 5.686 3.804 -0.782 1.00 0.00 C ATOM 945 C SER A 64 5.078 4.853 0.144 1.00 0.00 C ATOM 946 O SER A 64 4.855 4.599 1.327 1.00 0.00 O ATOM 947 CB SER A 64 4.663 3.385 -1.838 1.00 0.00 C ATOM 948 OG SER A 64 4.114 4.514 -2.493 1.00 0.00 O ATOM 0 H SER A 64 5.517 2.370 0.738 1.00 0.00 H new ATOM 0 HA SER A 64 6.552 4.241 -1.280 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.138 2.732 -2.570 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.865 2.810 -1.368 1.00 0.00 H new ATOM 0 HG SER A 64 3.177 4.622 -2.228 1.00 0.00 H new ATOM 954 N PHE A 65 4.811 6.034 -0.405 1.00 0.00 N ATOM 955 CA PHE A 65 4.230 7.123 0.370 1.00 0.00 C ATOM 956 C PHE A 65 3.069 7.767 -0.383 1.00 0.00 C ATOM 957 O PHE A 65 3.214 8.183 -1.532 1.00 0.00 O ATOM 958 CB PHE A 65 5.294 8.176 0.686 1.00 0.00 C ATOM 959 CG PHE A 65 6.129 7.843 1.889 1.00 0.00 C ATOM 960 CD1 PHE A 65 5.533 7.466 3.081 1.00 0.00 C ATOM 961 CD2 PHE A 65 7.512 7.906 1.827 1.00 0.00 C ATOM 962 CE1 PHE A 65 6.299 7.157 4.189 1.00 0.00 C ATOM 963 CE2 PHE A 65 8.283 7.598 2.932 1.00 0.00 C ATOM 964 CZ PHE A 65 7.676 7.224 4.114 1.00 0.00 C ATOM 0 H PHE A 65 4.988 6.261 -1.384 1.00 0.00 H new ATOM 0 HA PHE A 65 3.850 6.709 1.304 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.947 8.292 -0.179 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.806 9.137 0.847 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.456 7.413 3.145 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.993 8.199 0.905 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.821 6.864 5.112 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.360 7.650 2.871 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.277 6.984 4.979 1.00 0.00 H new ATOM 974 N VAL A 66 1.916 7.844 0.275 1.00 0.00 N ATOM 975 CA VAL A 66 0.730 8.437 -0.330 1.00 0.00 C ATOM 976 C VAL A 66 0.035 9.389 0.638 1.00 0.00 C ATOM 977 O VAL A 66 -0.567 8.959 1.621 1.00 0.00 O ATOM 978 CB VAL A 66 -0.273 7.355 -0.776 1.00 0.00 C ATOM 979 CG1 VAL A 66 -1.505 7.994 -1.397 1.00 0.00 C ATOM 980 CG2 VAL A 66 0.385 6.389 -1.750 1.00 0.00 C ATOM 0 H VAL A 66 1.779 7.503 1.227 1.00 0.00 H new ATOM 0 HA VAL A 66 1.067 8.994 -1.204 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.589 6.791 0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.202 7.215 -1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.987 8.643 -0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.211 8.583 -2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.337 5.631 -2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.730 6.936 -2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.234 5.907 -1.266 1.00 0.00 H new ATOM 990 N ARG A 67 0.125 10.683 0.352 1.00 0.00 N ATOM 991 CA ARG A 67 -0.494 11.697 1.198 1.00 0.00 C ATOM 992 C ARG A 67 -1.829 12.151 0.614 1.00 0.00 C ATOM 993 O ARG A 67 -1.884 12.693 -0.490 1.00 0.00 O ATOM 994 CB ARG A 67 0.440 12.899 1.357 1.00 0.00 C ATOM 995 CG ARG A 67 1.491 12.713 2.439 1.00 0.00 C ATOM 996 CD ARG A 67 2.733 12.023 1.896 1.00 0.00 C ATOM 997 NE ARG A 67 3.833 12.962 1.689 1.00 0.00 N ATOM 998 CZ ARG A 67 4.445 13.608 2.676 1.00 0.00 C ATOM 999 NH1 ARG A 67 4.065 13.418 3.931 1.00 0.00 N ATOM 1000 NH2 ARG A 67 5.438 14.446 2.406 1.00 0.00 N ATOM 0 H ARG A 67 0.620 11.055 -0.459 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.676 11.255 2.178 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.939 13.089 0.407 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.155 13.783 1.588 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.764 13.684 2.853 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.074 12.124 3.256 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.047 11.243 2.590 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.492 11.532 0.953 1.00 0.00 H new ATOM 0 HE ARG A 67 4.149 13.131 0.734 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.302 12.775 4.141 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.536 13.915 4.687 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.732 14.594 1.441 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.907 14.942 3.164 1.00 0.00 H new ATOM 1014 N PHE A 68 -2.903 11.925 1.364 1.00 0.00 N ATOM 1015 CA PHE A 68 -4.239 12.308 0.921 1.00 0.00 C ATOM 1016 C PHE A 68 -4.562 13.740 1.342 1.00 0.00 C ATOM 1017 O PHE A 68 -3.968 14.271 2.281 1.00 0.00 O ATOM 1018 CB PHE A 68 -5.284 11.349 1.493 1.00 0.00 C ATOM 1019 CG PHE A 68 -5.227 9.973 0.893 1.00 0.00 C ATOM 1020 CD1 PHE A 68 -4.249 9.073 1.286 1.00 0.00 C ATOM 1021 CD2 PHE A 68 -6.150 9.581 -0.062 1.00 0.00 C ATOM 1022 CE1 PHE A 68 -4.194 7.806 0.735 1.00 0.00 C ATOM 1023 CE2 PHE A 68 -6.100 8.315 -0.616 1.00 0.00 C ATOM 1024 CZ PHE A 68 -5.121 7.426 -0.216 1.00 0.00 C ATOM 0 H PHE A 68 -2.874 11.479 2.281 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.263 12.253 -0.167 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.144 11.273 2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.277 11.767 1.330 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.523 9.364 2.030 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.918 10.272 -0.378 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.426 7.114 1.048 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.825 8.022 -1.360 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.081 6.436 -0.646 1.00 0.00 H new ATOM 1034 N SER A 69 -5.505 14.358 0.639 1.00 0.00 N ATOM 1035 CA SER A 69 -5.903 15.729 0.936 1.00 0.00 C ATOM 1036 C SER A 69 -6.755 15.785 2.201 1.00 0.00 C ATOM 1037 O SER A 69 -6.865 16.829 2.844 1.00 0.00 O ATOM 1038 CB SER A 69 -6.678 16.323 -0.241 1.00 0.00 C ATOM 1039 OG SER A 69 -6.555 17.735 -0.273 1.00 0.00 O ATOM 0 H SER A 69 -6.007 13.932 -0.140 1.00 0.00 H new ATOM 0 HA SER A 69 -5.000 16.316 1.101 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.306 15.901 -1.175 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.730 16.048 -0.163 1.00 0.00 H new ATOM 0 HG SER A 69 -7.058 18.090 -1.035 1.00 0.00 H new ATOM 1045 N THR A 70 -7.357 14.653 2.553 1.00 0.00 N ATOM 1046 CA THR A 70 -8.200 14.573 3.739 1.00 0.00 C ATOM 1047 C THR A 70 -7.802 13.391 4.616 1.00 0.00 C ATOM 1048 O THR A 70 -7.121 12.470 4.163 1.00 0.00 O ATOM 1049 CB THR A 70 -9.687 14.440 3.362 1.00 0.00 C ATOM 1050 OG1 THR A 70 -9.866 13.355 2.444 1.00 0.00 O ATOM 1051 CG2 THR A 70 -10.206 15.728 2.740 1.00 0.00 C ATOM 0 H THR A 70 -7.276 13.779 2.033 1.00 0.00 H new ATOM 0 HA THR A 70 -8.055 15.500 4.294 1.00 0.00 H new ATOM 0 HB THR A 70 -10.252 14.242 4.273 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.815 13.277 2.211 1.00 0.00 H new ATOM 0 HG21 THR A 70 -11.258 15.609 2.482 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.097 16.546 3.452 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.635 15.953 1.839 1.00 0.00 H new ATOM 1059 N HIS A 71 -8.232 13.423 5.873 1.00 0.00 N ATOM 1060 CA HIS A 71 -7.922 12.352 6.814 1.00 0.00 C ATOM 1061 C HIS A 71 -8.878 11.178 6.636 1.00 0.00 C ATOM 1062 O HIS A 71 -8.463 10.019 6.662 1.00 0.00 O ATOM 1063 CB HIS A 71 -7.995 12.871 8.251 1.00 0.00 C ATOM 1064 CG HIS A 71 -7.253 12.019 9.234 1.00 0.00 C ATOM 1065 ND1 HIS A 71 -5.878 11.930 9.266 1.00 0.00 N ATOM 1066 CD2 HIS A 71 -7.704 11.215 10.226 1.00 0.00 C ATOM 1067 CE1 HIS A 71 -5.515 11.107 10.234 1.00 0.00 C ATOM 1068 NE2 HIS A 71 -6.604 10.661 10.832 1.00 0.00 N ATOM 0 H HIS A 71 -8.796 14.178 6.264 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.909 12.006 6.611 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -7.593 13.883 8.284 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -9.040 12.934 8.553 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -5.240 12.422 8.640 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.737 11.042 10.491 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -4.500 10.844 10.492 1.00 0.00 H new ATOM 1076 N GLU A 72 -10.159 11.484 6.456 1.00 0.00 N ATOM 1077 CA GLU A 72 -11.172 10.452 6.274 1.00 0.00 C ATOM 1078 C GLU A 72 -10.793 9.510 5.136 1.00 0.00 C ATOM 1079 O GLU A 72 -10.769 8.291 5.306 1.00 0.00 O ATOM 1080 CB GLU A 72 -12.535 11.089 5.992 1.00 0.00 C ATOM 1081 CG GLU A 72 -13.280 11.515 7.245 1.00 0.00 C ATOM 1082 CD GLU A 72 -14.775 11.291 7.140 1.00 0.00 C ATOM 1083 OE1 GLU A 72 -15.186 10.157 6.814 1.00 0.00 O ATOM 1084 OE2 GLU A 72 -15.538 12.251 7.383 1.00 0.00 O ATOM 0 H GLU A 72 -10.519 12.438 6.432 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.233 9.873 7.195 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.394 11.959 5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -13.150 10.380 5.438 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.893 10.960 8.100 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.087 12.571 7.436 1.00 0.00 H new ATOM 1091 N SER A 73 -10.498 10.085 3.973 1.00 0.00 N ATOM 1092 CA SER A 73 -10.123 9.298 2.805 1.00 0.00 C ATOM 1093 C SER A 73 -8.974 8.350 3.134 1.00 0.00 C ATOM 1094 O SER A 73 -9.050 7.150 2.872 1.00 0.00 O ATOM 1095 CB SER A 73 -9.726 10.217 1.649 1.00 0.00 C ATOM 1096 OG SER A 73 -8.707 11.121 2.045 1.00 0.00 O ATOM 0 H SER A 73 -10.512 11.093 3.816 1.00 0.00 H new ATOM 0 HA SER A 73 -10.987 8.704 2.506 1.00 0.00 H new ATOM 0 HB2 SER A 73 -9.379 9.619 0.807 1.00 0.00 H new ATOM 0 HB3 SER A 73 -10.598 10.774 1.306 1.00 0.00 H new ATOM 0 HG SER A 73 -9.102 11.852 2.565 1.00 0.00 H new ATOM 1102 N ALA A 74 -7.909 8.898 3.709 1.00 0.00 N ATOM 1103 CA ALA A 74 -6.743 8.103 4.076 1.00 0.00 C ATOM 1104 C ALA A 74 -7.138 6.930 4.967 1.00 0.00 C ATOM 1105 O ALA A 74 -6.710 5.799 4.744 1.00 0.00 O ATOM 1106 CB ALA A 74 -5.708 8.974 4.773 1.00 0.00 C ATOM 0 H ALA A 74 -7.829 9.890 3.931 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.306 7.700 3.162 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.843 8.367 5.041 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.396 9.775 4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.143 9.405 5.675 1.00 0.00 H new ATOM 1112 N ALA A 75 -7.955 7.210 5.977 1.00 0.00 N ATOM 1113 CA ALA A 75 -8.407 6.177 6.902 1.00 0.00 C ATOM 1114 C ALA A 75 -9.212 5.105 6.175 1.00 0.00 C ATOM 1115 O ALA A 75 -9.167 3.929 6.536 1.00 0.00 O ATOM 1116 CB ALA A 75 -9.235 6.796 8.019 1.00 0.00 C ATOM 0 H ALA A 75 -8.317 8.143 6.176 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.528 5.702 7.337 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.566 6.014 8.702 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.629 7.520 8.563 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.104 7.297 7.593 1.00 0.00 H new ATOM 1122 N HIS A 76 -9.951 5.518 5.150 1.00 0.00 N ATOM 1123 CA HIS A 76 -10.766 4.592 4.372 1.00 0.00 C ATOM 1124 C HIS A 76 -9.890 3.589 3.629 1.00 0.00 C ATOM 1125 O HIS A 76 -10.237 2.414 3.512 1.00 0.00 O ATOM 1126 CB HIS A 76 -11.640 5.358 3.379 1.00 0.00 C ATOM 1127 CG HIS A 76 -12.917 5.868 3.973 1.00 0.00 C ATOM 1128 ND1 HIS A 76 -13.787 5.070 4.685 1.00 0.00 N ATOM 1129 CD2 HIS A 76 -13.468 7.103 3.960 1.00 0.00 C ATOM 1130 CE1 HIS A 76 -14.820 5.792 5.082 1.00 0.00 C ATOM 1131 NE2 HIS A 76 -14.650 7.030 4.655 1.00 0.00 N ATOM 0 H HIS A 76 -10.002 6.488 4.839 1.00 0.00 H new ATOM 0 HA HIS A 76 -11.408 4.045 5.062 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -11.072 6.200 2.982 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -11.875 4.707 2.537 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -13.055 7.983 3.490 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -15.660 5.431 5.657 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.292 7.806 4.815 1.00 0.00 H new ATOM 1139 N ALA A 77 -8.753 4.061 3.129 1.00 0.00 N ATOM 1140 CA ALA A 77 -7.826 3.205 2.398 1.00 0.00 C ATOM 1141 C ALA A 77 -7.017 2.332 3.351 1.00 0.00 C ATOM 1142 O ALA A 77 -6.772 1.157 3.075 1.00 0.00 O ATOM 1143 CB ALA A 77 -6.899 4.047 1.534 1.00 0.00 C ATOM 0 H ALA A 77 -8.451 5.031 3.217 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.409 2.548 1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.213 3.395 0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.489 4.622 0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.330 4.728 2.167 1.00 0.00 H new ATOM 1149 N ILE A 78 -6.605 2.913 4.472 1.00 0.00 N ATOM 1150 CA ILE A 78 -5.822 2.187 5.466 1.00 0.00 C ATOM 1151 C ILE A 78 -6.608 1.007 6.027 1.00 0.00 C ATOM 1152 O ILE A 78 -6.169 -0.140 5.946 1.00 0.00 O ATOM 1153 CB ILE A 78 -5.396 3.105 6.626 1.00 0.00 C ATOM 1154 CG1 ILE A 78 -4.303 4.071 6.166 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -4.915 2.276 7.807 1.00 0.00 C ATOM 1156 CD1 ILE A 78 -3.953 5.123 7.196 1.00 0.00 C ATOM 0 H ILE A 78 -6.800 3.884 4.716 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.930 1.819 4.960 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.260 3.689 6.944 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.406 3.502 5.921 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.628 4.565 5.250 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.617 2.939 8.619 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.720 1.625 8.147 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.062 1.669 7.502 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.171 5.772 6.802 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.838 5.717 7.424 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.597 4.638 8.105 1.00 0.00 H new ATOM 1168 N VAL A 79 -7.774 1.296 6.596 1.00 0.00 N ATOM 1169 CA VAL A 79 -8.623 0.259 7.169 1.00 0.00 C ATOM 1170 C VAL A 79 -8.788 -0.911 6.206 1.00 0.00 C ATOM 1171 O VAL A 79 -8.871 -2.066 6.624 1.00 0.00 O ATOM 1172 CB VAL A 79 -10.015 0.809 7.532 1.00 0.00 C ATOM 1173 CG1 VAL A 79 -9.916 1.788 8.695 1.00 0.00 C ATOM 1174 CG2 VAL A 79 -10.658 1.470 6.323 1.00 0.00 C ATOM 0 H VAL A 79 -8.152 2.240 6.672 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.129 -0.087 8.077 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.646 -0.024 7.841 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.909 2.166 8.938 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.499 1.279 9.564 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.269 2.620 8.416 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.641 1.853 6.598 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.030 2.293 5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.764 0.738 5.522 1.00 0.00 H new ATOM 1184 N SER A 80 -8.833 -0.605 4.913 1.00 0.00 N ATOM 1185 CA SER A 80 -8.991 -1.630 3.890 1.00 0.00 C ATOM 1186 C SER A 80 -7.634 -2.181 3.458 1.00 0.00 C ATOM 1187 O SER A 80 -7.275 -3.311 3.792 1.00 0.00 O ATOM 1188 CB SER A 80 -9.731 -1.062 2.678 1.00 0.00 C ATOM 1189 OG SER A 80 -11.134 -1.200 2.827 1.00 0.00 O ATOM 0 H SER A 80 -8.762 0.346 4.550 1.00 0.00 H new ATOM 0 HA SER A 80 -9.577 -2.445 4.316 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.477 -0.009 2.553 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.405 -1.578 1.775 1.00 0.00 H new ATOM 0 HG SER A 80 -11.585 -0.828 2.040 1.00 0.00 H new ATOM 1195 N VAL A 81 -6.885 -1.374 2.715 1.00 0.00 N ATOM 1196 CA VAL A 81 -5.567 -1.778 2.237 1.00 0.00 C ATOM 1197 C VAL A 81 -4.786 -2.503 3.328 1.00 0.00 C ATOM 1198 O VAL A 81 -3.967 -3.374 3.043 1.00 0.00 O ATOM 1199 CB VAL A 81 -4.749 -0.565 1.756 1.00 0.00 C ATOM 1200 CG1 VAL A 81 -3.320 -0.978 1.438 1.00 0.00 C ATOM 1201 CG2 VAL A 81 -5.409 0.075 0.543 1.00 0.00 C ATOM 0 H VAL A 81 -7.168 -0.436 2.430 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.728 -2.455 1.398 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.720 0.173 2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.757 -0.108 1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.852 -1.388 2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.326 -1.734 0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.818 0.931 0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.470 -0.654 -0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.413 0.407 0.808 1.00 0.00 H new ATOM 1211 N ASN A 82 -5.047 -2.136 4.578 1.00 0.00 N ATOM 1212 CA ASN A 82 -4.369 -2.751 5.713 1.00 0.00 C ATOM 1213 C ASN A 82 -4.691 -4.240 5.797 1.00 0.00 C ATOM 1214 O ASN A 82 -5.682 -4.639 6.407 1.00 0.00 O ATOM 1215 CB ASN A 82 -4.774 -2.057 7.014 1.00 0.00 C ATOM 1216 CG ASN A 82 -4.175 -2.725 8.237 1.00 0.00 C ATOM 1217 OD1 ASN A 82 -2.976 -2.614 8.495 1.00 0.00 O ATOM 1218 ND2 ASN A 82 -5.010 -3.424 8.998 1.00 0.00 N ATOM 0 H ASN A 82 -5.723 -1.416 4.831 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.295 -2.636 5.567 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.457 -1.015 6.981 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -5.861 -2.057 7.099 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -4.665 -3.895 9.834 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.996 -3.489 8.746 1.00 0.00 H new ATOM 1225 N GLY A 83 -3.844 -5.059 5.179 1.00 0.00 N ATOM 1226 CA GLY A 83 -4.055 -6.495 5.196 1.00 0.00 C ATOM 1227 C GLY A 83 -4.425 -7.042 3.832 1.00 0.00 C ATOM 1228 O GLY A 83 -4.825 -8.200 3.706 1.00 0.00 O ATOM 0 H GLY A 83 -3.016 -4.753 4.667 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.149 -6.988 5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.846 -6.735 5.907 1.00 0.00 H new ATOM 1232 N THR A 84 -4.295 -6.208 2.806 1.00 0.00 N ATOM 1233 CA THR A 84 -4.622 -6.613 1.445 1.00 0.00 C ATOM 1234 C THR A 84 -3.382 -7.104 0.705 1.00 0.00 C ATOM 1235 O THR A 84 -2.255 -6.775 1.074 1.00 0.00 O ATOM 1236 CB THR A 84 -5.256 -5.456 0.650 1.00 0.00 C ATOM 1237 OG1 THR A 84 -4.432 -4.288 0.743 1.00 0.00 O ATOM 1238 CG2 THR A 84 -6.650 -5.142 1.172 1.00 0.00 C ATOM 0 H THR A 84 -3.965 -5.247 2.892 1.00 0.00 H new ATOM 0 HA THR A 84 -5.343 -7.427 1.522 1.00 0.00 H new ATOM 0 HB THR A 84 -5.336 -5.762 -0.393 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.342 -4.025 1.683 1.00 0.00 H new ATOM 0 HG21 THR A 84 -7.078 -4.322 0.596 1.00 0.00 H new ATOM 0 HG22 THR A 84 -7.283 -6.024 1.073 1.00 0.00 H new ATOM 0 HG23 THR A 84 -6.589 -4.855 2.222 1.00 0.00 H new ATOM 1246 N THR A 85 -3.599 -7.892 -0.344 1.00 0.00 N ATOM 1247 CA THR A 85 -2.498 -8.429 -1.136 1.00 0.00 C ATOM 1248 C THR A 85 -2.531 -7.886 -2.560 1.00 0.00 C ATOM 1249 O THR A 85 -3.418 -8.226 -3.344 1.00 0.00 O ATOM 1250 CB THR A 85 -2.539 -9.968 -1.184 1.00 0.00 C ATOM 1251 OG1 THR A 85 -2.923 -10.487 0.094 1.00 0.00 O ATOM 1252 CG2 THR A 85 -1.183 -10.532 -1.580 1.00 0.00 C ATOM 0 H THR A 85 -4.526 -8.172 -0.665 1.00 0.00 H new ATOM 0 HA THR A 85 -1.575 -8.113 -0.650 1.00 0.00 H new ATOM 0 HB THR A 85 -3.272 -10.268 -1.933 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.949 -11.466 0.055 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.236 -11.620 -1.607 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.907 -10.157 -2.566 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.434 -10.223 -0.851 1.00 0.00 H new ATOM 1260 N ILE A 86 -1.559 -7.042 -2.889 1.00 0.00 N ATOM 1261 CA ILE A 86 -1.476 -6.454 -4.220 1.00 0.00 C ATOM 1262 C ILE A 86 -0.509 -7.233 -5.105 1.00 0.00 C ATOM 1263 O ILE A 86 0.697 -7.251 -4.858 1.00 0.00 O ATOM 1264 CB ILE A 86 -1.026 -4.982 -4.159 1.00 0.00 C ATOM 1265 CG1 ILE A 86 -2.075 -4.136 -3.434 1.00 0.00 C ATOM 1266 CG2 ILE A 86 -0.780 -4.445 -5.561 1.00 0.00 C ATOM 1267 CD1 ILE A 86 -1.545 -2.807 -2.945 1.00 0.00 C ATOM 0 H ILE A 86 -0.818 -6.750 -2.252 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.477 -6.501 -4.649 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.092 -4.925 -3.601 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.915 -3.958 -4.106 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.461 -4.699 -2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.463 -3.404 -5.501 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.001 -5.035 -6.045 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.700 -4.511 -6.143 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.342 -2.261 -2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.724 -2.977 -2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.186 -2.224 -3.793 1.00 0.00 H new ATOM 1279 N GLU A 87 -1.046 -7.874 -6.139 1.00 0.00 N ATOM 1280 CA GLU A 87 -0.229 -8.654 -7.062 1.00 0.00 C ATOM 1281 C GLU A 87 0.404 -9.847 -6.352 1.00 0.00 C ATOM 1282 O GLU A 87 1.457 -10.336 -6.760 1.00 0.00 O ATOM 1283 CB GLU A 87 0.860 -7.776 -7.680 1.00 0.00 C ATOM 1284 CG GLU A 87 0.320 -6.554 -8.405 1.00 0.00 C ATOM 1285 CD GLU A 87 -0.166 -6.874 -9.805 1.00 0.00 C ATOM 1286 OE1 GLU A 87 0.528 -7.629 -10.517 1.00 0.00 O ATOM 1287 OE2 GLU A 87 -1.243 -6.370 -10.188 1.00 0.00 O ATOM 0 H GLU A 87 -2.042 -7.869 -6.358 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.877 -9.028 -7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.541 -7.450 -6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.444 -8.374 -8.380 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.501 -6.127 -7.828 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.100 -5.795 -8.460 1.00 0.00 H new ATOM 1294 N GLY A 88 -0.245 -10.308 -5.288 1.00 0.00 N ATOM 1295 CA GLY A 88 0.270 -11.440 -4.539 1.00 0.00 C ATOM 1296 C GLY A 88 1.284 -11.028 -3.492 1.00 0.00 C ATOM 1297 O GLY A 88 2.063 -11.853 -3.012 1.00 0.00 O ATOM 0 H GLY A 88 -1.118 -9.919 -4.931 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.558 -11.958 -4.055 1.00 0.00 H new ATOM 0 HA3 GLY A 88 0.731 -12.148 -5.228 1.00 0.00 H new ATOM 1301 N HIS A 89 1.278 -9.747 -3.135 1.00 0.00 N ATOM 1302 CA HIS A 89 2.206 -9.227 -2.138 1.00 0.00 C ATOM 1303 C HIS A 89 1.457 -8.498 -1.026 1.00 0.00 C ATOM 1304 O HIS A 89 0.724 -7.543 -1.280 1.00 0.00 O ATOM 1305 CB HIS A 89 3.215 -8.282 -2.793 1.00 0.00 C ATOM 1306 CG HIS A 89 4.071 -8.944 -3.827 1.00 0.00 C ATOM 1307 ND1 HIS A 89 5.258 -9.581 -3.525 1.00 0.00 N ATOM 1308 CD2 HIS A 89 3.910 -9.068 -5.164 1.00 0.00 C ATOM 1309 CE1 HIS A 89 5.788 -10.066 -4.633 1.00 0.00 C ATOM 1310 NE2 HIS A 89 4.989 -9.769 -5.643 1.00 0.00 N ATOM 0 H HIS A 89 0.641 -9.051 -3.522 1.00 0.00 H new ATOM 0 HA HIS A 89 2.740 -10.070 -1.700 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.678 -7.453 -3.254 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.856 -7.856 -2.021 1.00 0.00 H new ATOM 0 HD2 HIS A 89 3.085 -8.686 -5.747 1.00 0.00 H new ATOM 0 HE1 HIS A 89 6.717 -10.613 -4.702 1.00 0.00 H new ATOM 0 HE2 HIS A 89 5.148 -10.020 -6.619 1.00 0.00 H new ATOM 1318 N VAL A 90 1.646 -8.957 0.208 1.00 0.00 N ATOM 1319 CA VAL A 90 0.989 -8.350 1.358 1.00 0.00 C ATOM 1320 C VAL A 90 1.500 -6.934 1.599 1.00 0.00 C ATOM 1321 O VAL A 90 2.693 -6.722 1.817 1.00 0.00 O ATOM 1322 CB VAL A 90 1.204 -9.186 2.634 1.00 0.00 C ATOM 1323 CG1 VAL A 90 2.687 -9.418 2.876 1.00 0.00 C ATOM 1324 CG2 VAL A 90 0.560 -8.504 3.832 1.00 0.00 C ATOM 0 H VAL A 90 2.249 -9.747 0.436 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.077 -8.315 1.131 1.00 0.00 H new ATOM 0 HB VAL A 90 0.726 -10.156 2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.820 -10.010 3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.115 -9.952 2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.191 -8.459 2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.721 -9.108 4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.007 -7.520 3.974 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.510 -8.395 3.657 1.00 0.00 H new ATOM 1334 N VAL A 91 0.590 -5.966 1.560 1.00 0.00 N ATOM 1335 CA VAL A 91 0.948 -4.569 1.775 1.00 0.00 C ATOM 1336 C VAL A 91 0.419 -4.067 3.113 1.00 0.00 C ATOM 1337 O VAL A 91 -0.651 -4.477 3.565 1.00 0.00 O ATOM 1338 CB VAL A 91 0.403 -3.670 0.650 1.00 0.00 C ATOM 1339 CG1 VAL A 91 0.821 -4.205 -0.711 1.00 0.00 C ATOM 1340 CG2 VAL A 91 -1.111 -3.556 0.745 1.00 0.00 C ATOM 0 H VAL A 91 -0.402 -6.124 1.381 1.00 0.00 H new ATOM 0 HA VAL A 91 2.037 -4.517 1.775 1.00 0.00 H new ATOM 0 HB VAL A 91 0.827 -2.673 0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.427 -3.557 -1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.909 -4.229 -0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.427 -5.213 -0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.479 -2.917 -0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.557 -4.546 0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.384 -3.123 1.707 1.00 0.00 H new ATOM 1350 N LYS A 92 1.176 -3.176 3.745 1.00 0.00 N ATOM 1351 CA LYS A 92 0.784 -2.614 5.033 1.00 0.00 C ATOM 1352 C LYS A 92 0.547 -1.111 4.921 1.00 0.00 C ATOM 1353 O LYS A 92 1.417 -0.369 4.465 1.00 0.00 O ATOM 1354 CB LYS A 92 1.860 -2.896 6.084 1.00 0.00 C ATOM 1355 CG LYS A 92 3.183 -2.207 5.798 1.00 0.00 C ATOM 1356 CD LYS A 92 4.357 -3.013 6.328 1.00 0.00 C ATOM 1357 CE LYS A 92 5.568 -2.903 5.416 1.00 0.00 C ATOM 1358 NZ LYS A 92 6.538 -4.010 5.644 1.00 0.00 N ATOM 0 H LYS A 92 2.065 -2.827 3.386 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.148 -3.088 5.341 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.496 -2.575 7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.025 -3.972 6.143 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.295 -2.063 4.723 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.185 -1.217 6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 92 4.619 -2.662 7.326 1.00 0.00 H new ATOM 0 HD3 LYS A 92 4.067 -4.059 6.424 1.00 0.00 H new ATOM 0 HE2 LYS A 92 5.241 -2.915 4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.063 -1.946 5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.349 -3.898 5.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 6.869 -3.984 6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.074 -4.922 5.459 1.00 0.00 H new ATOM 1372 N CYS A 93 -0.634 -0.671 5.342 1.00 0.00 N ATOM 1373 CA CYS A 93 -0.984 0.744 5.290 1.00 0.00 C ATOM 1374 C CYS A 93 -0.927 1.370 6.679 1.00 0.00 C ATOM 1375 O CYS A 93 -1.698 1.006 7.567 1.00 0.00 O ATOM 1376 CB CYS A 93 -2.381 0.924 4.693 1.00 0.00 C ATOM 1377 SG CYS A 93 -2.398 1.767 3.094 1.00 0.00 S ATOM 0 H CYS A 93 -1.364 -1.273 5.723 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.257 1.249 4.654 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.845 -0.056 4.580 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.995 1.488 5.395 1.00 0.00 H new ATOM 0 HG CYS A 93 -3.623 2.058 2.770 1.00 0.00 H new ATOM 1383 N TYR A 94 -0.007 2.312 6.861 1.00 0.00 N ATOM 1384 CA TYR A 94 0.153 2.985 8.144 1.00 0.00 C ATOM 1385 C TYR A 94 0.012 4.496 7.988 1.00 0.00 C ATOM 1386 O TYR A 94 -0.220 4.998 6.888 1.00 0.00 O ATOM 1387 CB TYR A 94 1.516 2.649 8.753 1.00 0.00 C ATOM 1388 CG TYR A 94 1.776 1.165 8.874 1.00 0.00 C ATOM 1389 CD1 TYR A 94 0.758 0.289 9.233 1.00 0.00 C ATOM 1390 CD2 TYR A 94 3.038 0.637 8.630 1.00 0.00 C ATOM 1391 CE1 TYR A 94 0.991 -1.069 9.346 1.00 0.00 C ATOM 1392 CE2 TYR A 94 3.279 -0.718 8.738 1.00 0.00 C ATOM 1393 CZ TYR A 94 2.253 -1.567 9.097 1.00 0.00 C ATOM 1394 OH TYR A 94 2.490 -2.918 9.207 1.00 0.00 O ATOM 0 H TYR A 94 0.638 2.626 6.136 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.633 2.632 8.811 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.298 3.098 8.141 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.585 3.103 9.742 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.232 0.676 9.427 1.00 0.00 H new ATOM 0 HD2 TYR A 94 3.845 1.299 8.351 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.190 -1.736 9.628 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.266 -1.111 8.542 1.00 0.00 H new ATOM 0 HH TYR A 94 1.636 -3.399 9.230 1.00 0.00 H new ATOM 1404 N TRP A 95 0.156 5.215 9.096 1.00 0.00 N ATOM 1405 CA TRP A 95 0.047 6.669 9.082 1.00 0.00 C ATOM 1406 C TRP A 95 1.419 7.318 8.944 1.00 0.00 C ATOM 1407 O TRP A 95 2.068 7.640 9.938 1.00 0.00 O ATOM 1408 CB TRP A 95 -0.637 7.161 10.360 1.00 0.00 C ATOM 1409 CG TRP A 95 -2.131 7.058 10.311 1.00 0.00 C ATOM 1410 CD1 TRP A 95 -2.926 6.279 11.104 1.00 0.00 C ATOM 1411 CD2 TRP A 95 -3.010 7.756 9.422 1.00 0.00 C ATOM 1412 NE1 TRP A 95 -4.245 6.451 10.761 1.00 0.00 N ATOM 1413 CE2 TRP A 95 -4.324 7.352 9.733 1.00 0.00 C ATOM 1414 CE3 TRP A 95 -2.816 8.684 8.396 1.00 0.00 C ATOM 1415 CZ2 TRP A 95 -5.433 7.845 9.052 1.00 0.00 C ATOM 1416 CZ3 TRP A 95 -3.918 9.171 7.721 1.00 0.00 C ATOM 1417 CH2 TRP A 95 -5.214 8.752 8.052 1.00 0.00 C ATOM 0 H TRP A 95 0.348 4.815 10.014 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.557 6.955 8.220 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.268 6.583 11.207 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.357 8.200 10.537 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.570 5.624 11.886 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -5.037 5.983 11.201 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.822 9.015 8.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -6.432 7.522 9.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.779 9.887 6.924 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -6.056 9.153 7.507 1.00 0.00 H new ATOM 1428 N GLY A 96 1.857 7.507 7.703 1.00 0.00 N ATOM 1429 CA GLY A 96 3.150 8.117 7.457 1.00 0.00 C ATOM 1430 C GLY A 96 3.428 9.282 8.385 1.00 0.00 C ATOM 1431 O GLY A 96 2.512 10.009 8.774 1.00 0.00 O ATOM 0 H GLY A 96 1.339 7.248 6.863 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.931 7.366 7.577 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.195 8.461 6.424 1.00 0.00 H new