USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 784 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 45 THR OG1 : rot 174:sc= 1.19 USER MOD Set 1.2: A 60 GLN : amide:sc= 1.4 K(o=2.4,f=-1.5) USER MOD Set 1.3: A 78 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 16 ASN : amide:sc= -1.29 K(o=-1.3,f=-3.7!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -1.37 K(o=-1.4,f=-4.2!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 15:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-0.067) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= -0.0401 USER MOD Single : A 46 SER OG : rot 78:sc= 0.574 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 71:sc= 0.719 USER MOD Single : A 65 ASN : amide:sc= -0.0842 K(o=-0.084,f=-1.5) USER MOD Single : A 70 HIS : no HD1:sc= -0.0612 X(o=-0.061,f=0) USER MOD Single : A 73 CYS SG : rot 140:sc= -5.71! USER MOD Single : A 76 HIS : no HD1:sc= 0.234 K(o=0.23,f=-2!) USER MOD Single : A 77 THR OG1 : rot -150:sc= 0.484 USER MOD Single : A 82 GLN : amide:sc= -0.382 X(o=-0.38,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.186 K(o=-0.19,f=-2.1!) USER MOD Single : A 93 GLN : amide:sc= -0.526 X(o=-0.53,f=-0.3) USER MOD Single : A 94 CYS SG : rot 61:sc= -2 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 23:sc= 0.53 USER MOD Single : A 99 THR OG1 : rot 102:sc= -4.41! USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 166 N VAL A 15 -8.578 -9.487 -0.362 1.00 0.00 N ATOM 167 CA VAL A 15 -7.977 -9.532 0.965 1.00 0.00 C ATOM 168 C VAL A 15 -6.892 -8.471 1.113 1.00 0.00 C ATOM 169 O VAL A 15 -6.167 -8.175 0.165 1.00 0.00 O ATOM 170 CB VAL A 15 -7.371 -10.916 1.261 1.00 0.00 C ATOM 171 CG1 VAL A 15 -6.706 -10.928 2.629 1.00 0.00 C ATOM 172 CG2 VAL A 15 -8.438 -11.996 1.169 1.00 0.00 C ATOM 0 HA VAL A 15 -8.775 -9.334 1.680 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.608 -11.126 0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.284 -11.915 2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.911 -10.182 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.446 -10.696 3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.992 -12.968 1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.225 -11.792 1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.863 -12.003 0.165 1.00 0.00 H new ATOM 182 N ASN A 16 -6.786 -7.904 2.310 1.00 0.00 N ATOM 183 CA ASN A 16 -5.789 -6.875 2.583 1.00 0.00 C ATOM 184 C ASN A 16 -4.750 -7.376 3.581 1.00 0.00 C ATOM 185 O ASN A 16 -5.093 -7.943 4.620 1.00 0.00 O ATOM 186 CB ASN A 16 -6.463 -5.612 3.122 1.00 0.00 C ATOM 187 CG ASN A 16 -7.482 -5.043 2.154 1.00 0.00 C ATOM 188 OD1 ASN A 16 -7.432 -5.311 0.954 1.00 0.00 O ATOM 189 ND2 ASN A 16 -8.414 -4.252 2.674 1.00 0.00 N ATOM 0 H ASN A 16 -7.378 -8.139 3.107 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.283 -6.637 1.647 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.953 -5.841 4.068 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.703 -4.859 3.330 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.127 -3.840 2.072 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.417 -4.057 3.675 1.00 0.00 H new ATOM 196 N LEU A 17 -3.478 -7.163 3.261 1.00 0.00 N ATOM 197 CA LEU A 17 -2.388 -7.592 4.130 1.00 0.00 C ATOM 198 C LEU A 17 -2.072 -6.526 5.174 1.00 0.00 C ATOM 199 O LEU A 17 -2.061 -5.333 4.873 1.00 0.00 O ATOM 200 CB LEU A 17 -1.139 -7.897 3.301 1.00 0.00 C ATOM 201 CG LEU A 17 -1.348 -8.782 2.072 1.00 0.00 C ATOM 202 CD1 LEU A 17 -0.213 -8.592 1.078 1.00 0.00 C ATOM 203 CD2 LEU A 17 -1.463 -10.243 2.481 1.00 0.00 C ATOM 0 H LEU A 17 -3.176 -6.696 2.406 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.703 -8.498 4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.705 -6.952 2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.406 -8.377 3.949 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.279 -8.486 1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.379 -9.230 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.178 -7.550 0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.732 -8.860 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.611 -10.859 1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.549 -10.552 2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.311 -10.367 3.154 1.00 0.00 H new ATOM 215 N ALA A 18 -1.814 -6.966 6.401 1.00 0.00 N ATOM 216 CA ALA A 18 -1.494 -6.050 7.489 1.00 0.00 C ATOM 217 C ALA A 18 0.015 -5.928 7.678 1.00 0.00 C ATOM 218 O ALA A 18 0.506 -4.926 8.198 1.00 0.00 O ATOM 219 CB ALA A 18 -2.153 -6.512 8.780 1.00 0.00 C ATOM 0 H ALA A 18 -1.820 -7.951 6.667 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.883 -5.066 7.228 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.905 -5.818 9.583 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.234 -6.541 8.646 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.792 -7.508 9.036 1.00 0.00 H new ATOM 225 N PHE A 19 0.744 -6.954 7.252 1.00 0.00 N ATOM 226 CA PHE A 19 2.197 -6.962 7.375 1.00 0.00 C ATOM 227 C PHE A 19 2.821 -7.948 6.392 1.00 0.00 C ATOM 228 O PHE A 19 2.462 -9.125 6.363 1.00 0.00 O ATOM 229 CB PHE A 19 2.607 -7.322 8.805 1.00 0.00 C ATOM 230 CG PHE A 19 3.946 -7.995 8.893 1.00 0.00 C ATOM 231 CD1 PHE A 19 5.082 -7.375 8.398 1.00 0.00 C ATOM 232 CD2 PHE A 19 4.070 -9.248 9.472 1.00 0.00 C ATOM 233 CE1 PHE A 19 6.316 -7.993 8.477 1.00 0.00 C ATOM 234 CE2 PHE A 19 5.302 -9.871 9.554 1.00 0.00 C ATOM 235 CZ PHE A 19 6.426 -9.241 9.057 1.00 0.00 C ATOM 0 H PHE A 19 0.353 -7.790 6.819 1.00 0.00 H new ATOM 0 HA PHE A 19 2.562 -5.962 7.140 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.625 -6.415 9.409 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.851 -7.977 9.237 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.002 -6.398 7.945 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.194 -9.744 9.864 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.193 -7.500 8.085 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.385 -10.848 10.006 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.390 -9.724 9.122 1.00 0.00 H new ATOM 245 N VAL A 20 3.758 -7.458 5.586 1.00 0.00 N ATOM 246 CA VAL A 20 4.434 -8.294 4.601 1.00 0.00 C ATOM 247 C VAL A 20 5.947 -8.235 4.775 1.00 0.00 C ATOM 248 O VAL A 20 6.557 -7.173 4.646 1.00 0.00 O ATOM 249 CB VAL A 20 4.076 -7.870 3.165 1.00 0.00 C ATOM 250 CG1 VAL A 20 4.934 -8.619 2.157 1.00 0.00 C ATOM 251 CG2 VAL A 20 2.597 -8.102 2.894 1.00 0.00 C ATOM 0 H VAL A 20 4.066 -6.486 5.596 1.00 0.00 H new ATOM 0 HA VAL A 20 4.093 -9.316 4.766 1.00 0.00 H new ATOM 0 HB VAL A 20 4.279 -6.804 3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.666 -8.306 1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.986 -8.398 2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.766 -9.691 2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.362 -7.797 1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.366 -9.160 3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.002 -7.516 3.595 1.00 0.00 H new ATOM 261 N LYS A 21 6.549 -9.383 5.068 1.00 0.00 N ATOM 262 CA LYS A 21 7.992 -9.464 5.258 1.00 0.00 C ATOM 263 C LYS A 21 8.732 -8.835 4.081 1.00 0.00 C ATOM 264 O LYS A 21 8.855 -9.441 3.017 1.00 0.00 O ATOM 265 CB LYS A 21 8.425 -10.922 5.424 1.00 0.00 C ATOM 266 CG LYS A 21 9.662 -11.095 6.288 1.00 0.00 C ATOM 267 CD LYS A 21 10.762 -10.126 5.887 1.00 0.00 C ATOM 268 CE LYS A 21 11.857 -10.059 6.940 1.00 0.00 C ATOM 269 NZ LYS A 21 11.531 -9.084 8.018 1.00 0.00 N ATOM 0 H LYS A 21 6.059 -10.271 5.179 1.00 0.00 H new ATOM 0 HA LYS A 21 8.245 -8.911 6.162 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.604 -11.488 5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.617 -11.349 4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.401 -10.938 7.335 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.028 -12.118 6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.191 -10.435 4.934 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.337 -9.133 5.738 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.002 -11.047 7.376 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.798 -9.777 6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.302 -9.068 8.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.417 -8.136 7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.646 -9.367 8.486 1.00 0.00 H new ATOM 283 N ASN A 22 9.224 -7.616 4.280 1.00 0.00 N ATOM 284 CA ASN A 22 9.953 -6.906 3.236 1.00 0.00 C ATOM 285 C ASN A 22 10.917 -5.889 3.840 1.00 0.00 C ATOM 286 O ASN A 22 10.738 -5.448 4.975 1.00 0.00 O ATOM 287 CB ASN A 22 8.976 -6.202 2.292 1.00 0.00 C ATOM 288 CG ASN A 22 8.471 -4.889 2.858 1.00 0.00 C ATOM 289 OD1 ASN A 22 8.632 -3.833 2.246 1.00 0.00 O ATOM 290 ND2 ASN A 22 7.855 -4.949 4.033 1.00 0.00 N ATOM 0 H ASN A 22 9.131 -7.100 5.155 1.00 0.00 H new ATOM 0 HA ASN A 22 10.532 -7.636 2.671 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.467 -6.018 1.336 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.129 -6.859 2.094 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.493 -4.098 4.463 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.744 -5.846 4.505 1.00 0.00 H new ATOM 297 N ASP A 23 11.937 -5.521 3.073 1.00 0.00 N ATOM 298 CA ASP A 23 12.928 -4.554 3.531 1.00 0.00 C ATOM 299 C ASP A 23 13.135 -3.455 2.494 1.00 0.00 C ATOM 300 O ASP A 23 13.480 -3.728 1.345 1.00 0.00 O ATOM 301 CB ASP A 23 14.257 -5.254 3.822 1.00 0.00 C ATOM 302 CG ASP A 23 15.052 -4.557 4.909 1.00 0.00 C ATOM 303 OD1 ASP A 23 14.456 -4.209 5.949 1.00 0.00 O ATOM 304 OD2 ASP A 23 16.270 -4.358 4.718 1.00 0.00 O ATOM 0 H ASP A 23 12.099 -5.878 2.131 1.00 0.00 H new ATOM 0 HA ASP A 23 12.557 -4.097 4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.064 -6.284 4.121 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.851 -5.293 2.909 1.00 0.00 H new ATOM 309 N SER A 24 12.920 -2.210 2.908 1.00 0.00 N ATOM 310 CA SER A 24 13.077 -1.069 2.014 1.00 0.00 C ATOM 311 C SER A 24 14.229 -0.177 2.469 1.00 0.00 C ATOM 312 O SER A 24 14.242 0.309 3.600 1.00 0.00 O ATOM 313 CB SER A 24 11.782 -0.258 1.955 1.00 0.00 C ATOM 314 OG SER A 24 12.049 1.114 1.721 1.00 0.00 O ATOM 0 H SER A 24 12.637 -1.966 3.857 1.00 0.00 H new ATOM 0 HA SER A 24 13.305 -1.448 1.018 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.141 -0.647 1.164 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.236 -0.371 2.891 1.00 0.00 H new ATOM 0 HG SER A 24 11.205 1.610 1.686 1.00 0.00 H new ATOM 320 N TYR A 25 15.193 0.032 1.580 1.00 0.00 N ATOM 321 CA TYR A 25 16.351 0.863 1.889 1.00 0.00 C ATOM 322 C TYR A 25 16.363 2.123 1.029 1.00 0.00 C ATOM 323 O TYR A 25 15.979 2.093 -0.139 1.00 0.00 O ATOM 324 CB TYR A 25 17.643 0.073 1.675 1.00 0.00 C ATOM 325 CG TYR A 25 17.938 -0.222 0.221 1.00 0.00 C ATOM 326 CD1 TYR A 25 17.464 -1.380 -0.383 1.00 0.00 C ATOM 327 CD2 TYR A 25 18.690 0.658 -0.548 1.00 0.00 C ATOM 328 CE1 TYR A 25 17.732 -1.654 -1.710 1.00 0.00 C ATOM 329 CE2 TYR A 25 18.961 0.393 -1.876 1.00 0.00 C ATOM 330 CZ TYR A 25 18.481 -0.765 -2.453 1.00 0.00 C ATOM 331 OH TYR A 25 18.748 -1.033 -3.775 1.00 0.00 O ATOM 0 H TYR A 25 15.196 -0.362 0.639 1.00 0.00 H new ATOM 0 HA TYR A 25 16.284 1.161 2.935 1.00 0.00 H new ATOM 0 HB2 TYR A 25 18.476 0.633 2.100 1.00 0.00 H new ATOM 0 HB3 TYR A 25 17.579 -0.867 2.222 1.00 0.00 H new ATOM 0 HD1 TYR A 25 16.876 -2.078 0.195 1.00 0.00 H new ATOM 0 HD2 TYR A 25 19.069 1.564 -0.100 1.00 0.00 H new ATOM 0 HE1 TYR A 25 17.357 -2.560 -2.164 1.00 0.00 H new ATOM 0 HE2 TYR A 25 19.546 1.088 -2.460 1.00 0.00 H new ATOM 0 HH TYR A 25 18.153 -1.745 -4.091 1.00 0.00 H new ATOM 341 N GLU A 26 16.806 3.229 1.618 1.00 0.00 N ATOM 342 CA GLU A 26 16.868 4.500 0.907 1.00 0.00 C ATOM 343 C GLU A 26 18.026 4.512 -0.086 1.00 0.00 C ATOM 344 O GLU A 26 19.168 4.222 0.271 1.00 0.00 O ATOM 345 CB GLU A 26 17.018 5.658 1.897 1.00 0.00 C ATOM 346 CG GLU A 26 18.463 5.999 2.219 1.00 0.00 C ATOM 347 CD GLU A 26 19.150 4.920 3.032 1.00 0.00 C ATOM 348 OE1 GLU A 26 18.578 4.494 4.057 1.00 0.00 O ATOM 349 OE2 GLU A 26 20.261 4.502 2.643 1.00 0.00 O ATOM 0 H GLU A 26 17.127 3.270 2.585 1.00 0.00 H new ATOM 0 HA GLU A 26 15.937 4.623 0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 26 16.528 6.541 1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 26 16.499 5.405 2.821 1.00 0.00 H new ATOM 0 HG2 GLU A 26 19.012 6.153 1.290 1.00 0.00 H new ATOM 0 HG3 GLU A 26 18.497 6.940 2.769 1.00 0.00 H new ATOM 356 N LYS A 27 17.724 4.850 -1.335 1.00 0.00 N ATOM 357 CA LYS A 27 18.738 4.901 -2.381 1.00 0.00 C ATOM 358 C LYS A 27 18.819 6.296 -2.993 1.00 0.00 C ATOM 359 O LYS A 27 17.878 7.082 -2.896 1.00 0.00 O ATOM 360 CB LYS A 27 18.428 3.871 -3.471 1.00 0.00 C ATOM 361 CG LYS A 27 19.523 3.745 -4.517 1.00 0.00 C ATOM 362 CD LYS A 27 19.347 2.492 -5.359 1.00 0.00 C ATOM 363 CE LYS A 27 18.514 2.768 -6.601 1.00 0.00 C ATOM 364 NZ LYS A 27 19.361 3.152 -7.763 1.00 0.00 N ATOM 0 H LYS A 27 16.784 5.093 -1.648 1.00 0.00 H new ATOM 0 HA LYS A 27 19.702 4.665 -1.930 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.268 2.898 -3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 27 17.496 4.146 -3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 27 19.513 4.623 -5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 27 20.496 3.721 -4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 27 20.324 2.109 -5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.867 1.716 -4.763 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.933 1.881 -6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.802 3.566 -6.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.756 3.332 -8.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.897 4.013 -7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 20.023 2.380 -7.980 1.00 0.00 H new ATOM 378 N GLY A 28 19.950 6.596 -3.625 1.00 0.00 N ATOM 379 CA GLY A 28 20.131 7.895 -4.244 1.00 0.00 C ATOM 380 C GLY A 28 19.746 9.036 -3.323 1.00 0.00 C ATOM 381 O GLY A 28 19.684 8.882 -2.103 1.00 0.00 O ATOM 0 H GLY A 28 20.744 5.962 -3.719 1.00 0.00 H new ATOM 0 HA2 GLY A 28 21.173 8.009 -4.543 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.531 7.948 -5.153 1.00 0.00 H new ATOM 385 N PRO A 29 19.480 10.212 -3.910 1.00 0.00 N ATOM 386 CA PRO A 29 19.096 11.406 -3.151 1.00 0.00 C ATOM 387 C PRO A 29 17.702 11.283 -2.544 1.00 0.00 C ATOM 388 O PRO A 29 17.514 11.507 -1.348 1.00 0.00 O ATOM 389 CB PRO A 29 19.125 12.518 -4.203 1.00 0.00 C ATOM 390 CG PRO A 29 18.895 11.821 -5.499 1.00 0.00 C ATOM 391 CD PRO A 29 19.534 10.467 -5.359 1.00 0.00 C ATOM 0 HA PRO A 29 19.760 11.583 -2.305 1.00 0.00 H new ATOM 0 HB2 PRO A 29 18.353 13.263 -4.012 1.00 0.00 H new ATOM 0 HB3 PRO A 29 20.081 13.041 -4.199 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.829 11.730 -5.710 1.00 0.00 H new ATOM 0 HG3 PRO A 29 19.337 12.378 -6.325 1.00 0.00 H new ATOM 0 HD2 PRO A 29 18.992 9.707 -5.921 1.00 0.00 H new ATOM 0 HD3 PRO A 29 20.559 10.466 -5.729 1.00 0.00 H new ATOM 399 N ASP A 30 16.729 10.927 -3.375 1.00 0.00 N ATOM 400 CA ASP A 30 15.353 10.772 -2.919 1.00 0.00 C ATOM 401 C ASP A 30 14.781 9.430 -3.363 1.00 0.00 C ATOM 402 O ASP A 30 13.570 9.214 -3.317 1.00 0.00 O ATOM 403 CB ASP A 30 14.485 11.913 -3.454 1.00 0.00 C ATOM 404 CG ASP A 30 14.876 12.327 -4.859 1.00 0.00 C ATOM 405 OD1 ASP A 30 15.419 11.480 -5.598 1.00 0.00 O ATOM 406 OD2 ASP A 30 14.640 13.499 -5.220 1.00 0.00 O ATOM 0 H ASP A 30 16.868 10.740 -4.368 1.00 0.00 H new ATOM 0 HA ASP A 30 15.351 10.804 -1.829 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.440 11.605 -3.447 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.569 12.772 -2.788 1.00 0.00 H new ATOM 411 N SER A 31 15.660 8.531 -3.793 1.00 0.00 N ATOM 412 CA SER A 31 15.242 7.210 -4.249 1.00 0.00 C ATOM 413 C SER A 31 15.123 6.242 -3.076 1.00 0.00 C ATOM 414 O SER A 31 15.753 6.429 -2.036 1.00 0.00 O ATOM 415 CB SER A 31 16.235 6.664 -5.277 1.00 0.00 C ATOM 416 OG SER A 31 16.597 7.662 -6.216 1.00 0.00 O ATOM 0 H SER A 31 16.666 8.693 -3.835 1.00 0.00 H new ATOM 0 HA SER A 31 14.262 7.308 -4.717 1.00 0.00 H new ATOM 0 HB2 SER A 31 17.127 6.299 -4.768 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.794 5.814 -5.797 1.00 0.00 H new ATOM 0 HG SER A 31 17.233 7.289 -6.861 1.00 0.00 H new ATOM 422 N VAL A 32 14.308 5.206 -3.253 1.00 0.00 N ATOM 423 CA VAL A 32 14.106 4.207 -2.210 1.00 0.00 C ATOM 424 C VAL A 32 13.650 2.879 -2.803 1.00 0.00 C ATOM 425 O VAL A 32 12.591 2.795 -3.424 1.00 0.00 O ATOM 426 CB VAL A 32 13.067 4.678 -1.175 1.00 0.00 C ATOM 427 CG1 VAL A 32 12.808 3.590 -0.145 1.00 0.00 C ATOM 428 CG2 VAL A 32 13.530 5.961 -0.502 1.00 0.00 C ATOM 0 H VAL A 32 13.778 5.037 -4.108 1.00 0.00 H new ATOM 0 HA VAL A 32 15.066 4.070 -1.713 1.00 0.00 H new ATOM 0 HB VAL A 32 12.131 4.884 -1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.071 3.941 0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.430 2.698 -0.645 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.737 3.349 0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.784 6.280 0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.479 5.784 0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 32 13.659 6.740 -1.253 1.00 0.00 H new ATOM 438 N VAL A 33 14.457 1.841 -2.607 1.00 0.00 N ATOM 439 CA VAL A 33 14.137 0.515 -3.121 1.00 0.00 C ATOM 440 C VAL A 33 13.472 -0.343 -2.051 1.00 0.00 C ATOM 441 O VAL A 33 13.732 -0.179 -0.858 1.00 0.00 O ATOM 442 CB VAL A 33 15.396 -0.208 -3.634 1.00 0.00 C ATOM 443 CG1 VAL A 33 15.082 -1.659 -3.965 1.00 0.00 C ATOM 444 CG2 VAL A 33 15.967 0.512 -4.847 1.00 0.00 C ATOM 0 H VAL A 33 15.338 1.893 -2.095 1.00 0.00 H new ATOM 0 HA VAL A 33 13.445 0.656 -3.951 1.00 0.00 H new ATOM 0 HB VAL A 33 16.148 -0.195 -2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.984 -2.153 -4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.723 -2.167 -3.070 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.313 -1.698 -4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 33 16.856 -0.013 -5.196 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.222 0.532 -5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.232 1.533 -4.573 1.00 0.00 H new ATOM 454 N VAL A 34 12.613 -1.260 -2.484 1.00 0.00 N ATOM 455 CA VAL A 34 11.911 -2.147 -1.563 1.00 0.00 C ATOM 456 C VAL A 34 12.129 -3.609 -1.935 1.00 0.00 C ATOM 457 O VAL A 34 12.134 -3.967 -3.113 1.00 0.00 O ATOM 458 CB VAL A 34 10.400 -1.853 -1.543 1.00 0.00 C ATOM 459 CG1 VAL A 34 9.705 -2.696 -0.485 1.00 0.00 C ATOM 460 CG2 VAL A 34 10.149 -0.371 -1.305 1.00 0.00 C ATOM 0 H VAL A 34 12.386 -1.408 -3.467 1.00 0.00 H new ATOM 0 HA VAL A 34 12.322 -1.963 -0.570 1.00 0.00 H new ATOM 0 HB VAL A 34 9.983 -2.118 -2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.638 -2.474 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.856 -3.753 -0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.122 -2.466 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.076 -0.181 -1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.579 -0.078 -0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.612 0.209 -2.103 1.00 0.00 H new ATOM 470 N HIS A 35 12.308 -4.451 -0.922 1.00 0.00 N ATOM 471 CA HIS A 35 12.525 -5.877 -1.143 1.00 0.00 C ATOM 472 C HIS A 35 11.457 -6.705 -0.435 1.00 0.00 C ATOM 473 O HIS A 35 11.506 -6.893 0.780 1.00 0.00 O ATOM 474 CB HIS A 35 13.913 -6.285 -0.649 1.00 0.00 C ATOM 475 CG HIS A 35 15.025 -5.828 -1.542 1.00 0.00 C ATOM 476 ND1 HIS A 35 16.259 -6.443 -1.583 1.00 0.00 N ATOM 477 CD2 HIS A 35 15.085 -4.809 -2.431 1.00 0.00 C ATOM 478 CE1 HIS A 35 17.029 -5.822 -2.459 1.00 0.00 C ATOM 479 NE2 HIS A 35 16.340 -4.827 -2.988 1.00 0.00 N ATOM 0 H HIS A 35 12.307 -4.171 0.059 1.00 0.00 H new ATOM 0 HA HIS A 35 12.457 -6.068 -2.214 1.00 0.00 H new ATOM 0 HB2 HIS A 35 14.069 -5.877 0.349 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.953 -7.371 -0.559 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.293 -4.111 -2.660 1.00 0.00 H new ATOM 0 HE1 HIS A 35 18.048 -6.084 -2.701 1.00 0.00 H new ATOM 0 HE2 HIS A 35 16.684 -4.178 -3.695 1.00 0.00 H new ATOM 488 N VAL A 36 10.490 -7.196 -1.205 1.00 0.00 N ATOM 489 CA VAL A 36 9.410 -8.004 -0.652 1.00 0.00 C ATOM 490 C VAL A 36 9.734 -9.491 -0.741 1.00 0.00 C ATOM 491 O VAL A 36 9.971 -10.021 -1.827 1.00 0.00 O ATOM 492 CB VAL A 36 8.079 -7.735 -1.380 1.00 0.00 C ATOM 493 CG1 VAL A 36 6.927 -8.413 -0.654 1.00 0.00 C ATOM 494 CG2 VAL A 36 7.834 -6.239 -1.506 1.00 0.00 C ATOM 0 H VAL A 36 10.433 -7.048 -2.213 1.00 0.00 H new ATOM 0 HA VAL A 36 9.307 -7.720 0.395 1.00 0.00 H new ATOM 0 HB VAL A 36 8.142 -8.155 -2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.995 -8.212 -1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.101 -9.489 -0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.859 -8.025 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.890 -6.067 -2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.791 -5.792 -0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.646 -5.784 -2.073 1.00 0.00 H new ATOM 504 N TYR A 37 9.742 -10.159 0.407 1.00 0.00 N ATOM 505 CA TYR A 37 10.039 -11.586 0.459 1.00 0.00 C ATOM 506 C TYR A 37 8.829 -12.410 0.033 1.00 0.00 C ATOM 507 O TYR A 37 7.905 -12.630 0.817 1.00 0.00 O ATOM 508 CB TYR A 37 10.472 -11.987 1.870 1.00 0.00 C ATOM 509 CG TYR A 37 11.802 -11.399 2.285 1.00 0.00 C ATOM 510 CD1 TYR A 37 12.440 -10.448 1.498 1.00 0.00 C ATOM 511 CD2 TYR A 37 12.421 -11.794 3.464 1.00 0.00 C ATOM 512 CE1 TYR A 37 13.655 -9.909 1.873 1.00 0.00 C ATOM 513 CE2 TYR A 37 13.636 -11.259 3.848 1.00 0.00 C ATOM 514 CZ TYR A 37 14.249 -10.317 3.049 1.00 0.00 C ATOM 515 OH TYR A 37 15.459 -9.783 3.427 1.00 0.00 O ATOM 0 H TYR A 37 9.546 -9.736 1.314 1.00 0.00 H new ATOM 0 HA TYR A 37 10.855 -11.787 -0.235 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.707 -11.671 2.579 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.531 -13.074 1.928 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.978 -10.125 0.577 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.944 -12.532 4.092 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.138 -9.172 1.249 1.00 0.00 H new ATOM 0 HE2 TYR A 37 14.103 -11.577 4.769 1.00 0.00 H new ATOM 0 HH TYR A 37 15.738 -10.177 4.280 1.00 0.00 H new ATOM 525 N VAL A 38 8.841 -12.865 -1.217 1.00 0.00 N ATOM 526 CA VAL A 38 7.745 -13.667 -1.749 1.00 0.00 C ATOM 527 C VAL A 38 8.124 -14.297 -3.084 1.00 0.00 C ATOM 528 O VAL A 38 8.892 -13.724 -3.858 1.00 0.00 O ATOM 529 CB VAL A 38 6.470 -12.823 -1.935 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.662 -11.804 -3.048 1.00 0.00 C ATOM 531 CG2 VAL A 38 5.276 -13.720 -2.221 1.00 0.00 C ATOM 0 H VAL A 38 9.597 -12.692 -1.879 1.00 0.00 H new ATOM 0 HA VAL A 38 7.547 -14.454 -1.022 1.00 0.00 H new ATOM 0 HB VAL A 38 6.275 -12.281 -1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.751 -11.217 -3.165 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.490 -11.142 -2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.882 -12.322 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.383 -13.108 -2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.459 -14.290 -3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.128 -14.406 -1.387 1.00 0.00 H new ATOM 541 N LYS A 39 7.581 -15.480 -3.350 1.00 0.00 N ATOM 542 CA LYS A 39 7.859 -16.189 -4.593 1.00 0.00 C ATOM 543 C LYS A 39 6.576 -16.752 -5.197 1.00 0.00 C ATOM 544 O LYS A 39 5.495 -16.604 -4.628 1.00 0.00 O ATOM 545 CB LYS A 39 8.859 -17.321 -4.346 1.00 0.00 C ATOM 546 CG LYS A 39 9.864 -17.016 -3.249 1.00 0.00 C ATOM 547 CD LYS A 39 10.786 -18.196 -2.994 1.00 0.00 C ATOM 548 CE LYS A 39 11.239 -18.841 -4.295 1.00 0.00 C ATOM 549 NZ LYS A 39 12.449 -19.687 -4.104 1.00 0.00 N ATOM 0 H LYS A 39 6.945 -15.969 -2.720 1.00 0.00 H new ATOM 0 HA LYS A 39 8.291 -15.479 -5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.312 -18.227 -4.085 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.396 -17.529 -5.272 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.456 -16.144 -3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.335 -16.761 -2.331 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.657 -17.863 -2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.271 -18.935 -2.380 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.430 -19.450 -4.699 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.451 -18.065 -5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.725 -20.108 -5.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.229 -19.101 -3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.240 -20.443 -3.422 1.00 0.00 H new ATOM 563 N GLU A 40 6.705 -17.398 -6.352 1.00 0.00 N ATOM 564 CA GLU A 40 5.555 -17.983 -7.031 1.00 0.00 C ATOM 565 C GLU A 40 4.445 -16.951 -7.209 1.00 0.00 C ATOM 566 O GLU A 40 3.264 -17.263 -7.056 1.00 0.00 O ATOM 567 CB GLU A 40 5.028 -19.185 -6.245 1.00 0.00 C ATOM 568 CG GLU A 40 6.112 -19.957 -5.512 1.00 0.00 C ATOM 569 CD GLU A 40 5.777 -21.427 -5.353 1.00 0.00 C ATOM 570 OE1 GLU A 40 4.941 -21.931 -6.132 1.00 0.00 O ATOM 571 OE2 GLU A 40 6.349 -22.073 -4.451 1.00 0.00 O ATOM 0 H GLU A 40 7.593 -17.529 -6.836 1.00 0.00 H new ATOM 0 HA GLU A 40 5.879 -18.316 -8.017 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.288 -18.840 -5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.514 -19.859 -6.930 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.052 -19.859 -6.055 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.265 -19.515 -4.528 1.00 0.00 H new ATOM 578 N ILE A 41 4.834 -15.723 -7.533 1.00 0.00 N ATOM 579 CA ILE A 41 3.873 -14.645 -7.732 1.00 0.00 C ATOM 580 C ILE A 41 3.405 -14.588 -9.182 1.00 0.00 C ATOM 581 O ILE A 41 4.120 -15.006 -10.094 1.00 0.00 O ATOM 582 CB ILE A 41 4.469 -13.280 -7.343 1.00 0.00 C ATOM 583 CG1 ILE A 41 4.415 -13.089 -5.826 1.00 0.00 C ATOM 584 CG2 ILE A 41 3.726 -12.156 -8.050 1.00 0.00 C ATOM 585 CD1 ILE A 41 4.335 -11.639 -5.401 1.00 0.00 C ATOM 0 H ILE A 41 5.808 -15.449 -7.663 1.00 0.00 H new ATOM 0 HA ILE A 41 3.022 -14.858 -7.085 1.00 0.00 H new ATOM 0 HB ILE A 41 5.512 -13.253 -7.657 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.550 -13.623 -5.431 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.300 -13.542 -5.379 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.159 -11.197 -7.764 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.811 -12.286 -9.129 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.674 -12.178 -7.764 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.300 -11.580 -4.313 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.212 -11.104 -5.765 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.435 -11.187 -5.818 1.00 0.00 H new ATOM 597 N CYS A 42 2.201 -14.067 -9.389 1.00 0.00 N ATOM 598 CA CYS A 42 1.636 -13.953 -10.729 1.00 0.00 C ATOM 599 C CYS A 42 1.754 -12.524 -11.250 1.00 0.00 C ATOM 600 O CYS A 42 0.996 -11.642 -10.847 1.00 0.00 O ATOM 601 CB CYS A 42 0.170 -14.388 -10.726 1.00 0.00 C ATOM 602 SG CYS A 42 -0.393 -15.097 -12.291 1.00 0.00 S ATOM 0 H CYS A 42 1.597 -13.717 -8.646 1.00 0.00 H new ATOM 0 HA CYS A 42 2.201 -14.609 -11.391 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.021 -15.121 -9.933 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.453 -13.527 -10.485 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.644 -15.436 -12.189 1.00 0.00 H new ATOM 608 N ARG A 43 2.711 -12.303 -12.145 1.00 0.00 N ATOM 609 CA ARG A 43 2.931 -10.981 -12.719 1.00 0.00 C ATOM 610 C ARG A 43 1.780 -10.591 -13.641 1.00 0.00 C ATOM 611 O ARG A 43 1.766 -9.495 -14.203 1.00 0.00 O ATOM 612 CB ARG A 43 4.251 -10.949 -13.491 1.00 0.00 C ATOM 613 CG ARG A 43 5.429 -11.504 -12.707 1.00 0.00 C ATOM 614 CD ARG A 43 6.745 -11.256 -13.427 1.00 0.00 C ATOM 615 NE ARG A 43 6.698 -11.696 -14.819 1.00 0.00 N ATOM 616 CZ ARG A 43 7.740 -11.644 -15.641 1.00 0.00 C ATOM 617 NH1 ARG A 43 8.904 -11.175 -15.214 1.00 0.00 N ATOM 618 NH2 ARG A 43 7.620 -12.064 -16.894 1.00 0.00 N ATOM 0 H ARG A 43 3.347 -13.023 -12.489 1.00 0.00 H new ATOM 0 HA ARG A 43 2.979 -10.261 -11.902 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.137 -11.520 -14.412 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.469 -9.920 -13.779 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.460 -11.042 -11.720 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.293 -12.575 -12.554 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.984 -10.193 -13.391 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.547 -11.781 -12.908 1.00 0.00 H new ATOM 0 HE ARG A 43 5.817 -12.063 -15.179 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.002 -10.853 -14.251 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.702 -11.137 -15.848 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.727 -12.427 -17.227 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.421 -12.024 -17.524 1.00 0.00 H new ATOM 632 N ASP A 44 0.817 -11.493 -13.792 1.00 0.00 N ATOM 633 CA ASP A 44 -0.338 -11.244 -14.646 1.00 0.00 C ATOM 634 C ASP A 44 -1.476 -10.613 -13.850 1.00 0.00 C ATOM 635 O ASP A 44 -2.170 -9.719 -14.337 1.00 0.00 O ATOM 636 CB ASP A 44 -0.813 -12.546 -15.292 1.00 0.00 C ATOM 637 CG ASP A 44 0.147 -13.050 -16.352 1.00 0.00 C ATOM 638 OD1 ASP A 44 1.359 -13.137 -16.061 1.00 0.00 O ATOM 639 OD2 ASP A 44 -0.312 -13.357 -17.472 1.00 0.00 O ATOM 0 H ASP A 44 0.813 -12.404 -13.334 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.036 -10.548 -15.429 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.932 -13.308 -14.522 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.794 -12.389 -15.740 1.00 0.00 H new ATOM 644 N THR A 45 -1.664 -11.083 -12.620 1.00 0.00 N ATOM 645 CA THR A 45 -2.718 -10.567 -11.757 1.00 0.00 C ATOM 646 C THR A 45 -2.136 -9.783 -10.587 1.00 0.00 C ATOM 647 O THR A 45 -2.809 -9.560 -9.581 1.00 0.00 O ATOM 648 CB THR A 45 -3.603 -11.704 -11.210 1.00 0.00 C ATOM 649 OG1 THR A 45 -2.820 -12.586 -10.397 1.00 0.00 O ATOM 650 CG2 THR A 45 -4.242 -12.487 -12.346 1.00 0.00 C ATOM 0 H THR A 45 -1.099 -11.821 -12.200 1.00 0.00 H new ATOM 0 HA THR A 45 -3.329 -9.902 -12.367 1.00 0.00 H new ATOM 0 HB THR A 45 -4.394 -11.260 -10.606 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.406 -13.250 -9.977 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.862 -13.284 -11.935 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.860 -11.819 -12.946 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.463 -12.920 -12.973 1.00 0.00 H new ATOM 658 N SER A 46 -0.882 -9.366 -10.725 1.00 0.00 N ATOM 659 CA SER A 46 -0.208 -8.608 -9.677 1.00 0.00 C ATOM 660 C SER A 46 0.250 -7.250 -10.198 1.00 0.00 C ATOM 661 O SER A 46 1.068 -7.168 -11.115 1.00 0.00 O ATOM 662 CB SER A 46 0.992 -9.393 -9.143 1.00 0.00 C ATOM 663 OG SER A 46 0.591 -10.655 -8.637 1.00 0.00 O ATOM 0 H SER A 46 -0.312 -9.540 -11.552 1.00 0.00 H new ATOM 0 HA SER A 46 -0.918 -8.446 -8.866 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.723 -9.532 -9.939 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.483 -8.821 -8.356 1.00 0.00 H new ATOM 0 HG SER A 46 0.431 -11.271 -9.383 1.00 0.00 H new ATOM 669 N ARG A 47 -0.284 -6.186 -9.607 1.00 0.00 N ATOM 670 CA ARG A 47 0.068 -4.830 -10.012 1.00 0.00 C ATOM 671 C ARG A 47 0.428 -3.977 -8.799 1.00 0.00 C ATOM 672 O ARG A 47 0.343 -4.433 -7.658 1.00 0.00 O ATOM 673 CB ARG A 47 -1.089 -4.186 -10.777 1.00 0.00 C ATOM 674 CG ARG A 47 -2.423 -4.279 -10.054 1.00 0.00 C ATOM 675 CD ARG A 47 -3.319 -3.095 -10.383 1.00 0.00 C ATOM 676 NE ARG A 47 -4.735 -3.436 -10.285 1.00 0.00 N ATOM 677 CZ ARG A 47 -5.717 -2.574 -10.521 1.00 0.00 C ATOM 678 NH1 ARG A 47 -5.438 -1.325 -10.869 1.00 0.00 N ATOM 679 NH2 ARG A 47 -6.982 -2.960 -10.411 1.00 0.00 N ATOM 0 H ARG A 47 -0.962 -6.237 -8.846 1.00 0.00 H new ATOM 0 HA ARG A 47 0.938 -4.887 -10.666 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.855 -3.137 -10.957 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.180 -4.664 -11.752 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.925 -5.205 -10.333 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.253 -4.320 -8.978 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.097 -2.272 -9.703 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.100 -2.744 -11.391 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.984 -4.389 -10.021 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.467 -1.025 -10.956 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.194 -0.665 -11.050 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.201 -3.920 -10.145 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.735 -2.297 -10.593 1.00 0.00 H new ATOM 693 N VAL A 48 0.830 -2.736 -9.053 1.00 0.00 N ATOM 694 CA VAL A 48 1.202 -1.818 -7.982 1.00 0.00 C ATOM 695 C VAL A 48 0.695 -0.409 -8.266 1.00 0.00 C ATOM 696 O VAL A 48 0.984 0.168 -9.315 1.00 0.00 O ATOM 697 CB VAL A 48 2.729 -1.773 -7.787 1.00 0.00 C ATOM 698 CG1 VAL A 48 3.098 -0.785 -6.691 1.00 0.00 C ATOM 699 CG2 VAL A 48 3.266 -3.160 -7.468 1.00 0.00 C ATOM 0 H VAL A 48 0.907 -2.343 -9.991 1.00 0.00 H new ATOM 0 HA VAL A 48 0.738 -2.191 -7.069 1.00 0.00 H new ATOM 0 HB VAL A 48 3.187 -1.436 -8.717 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.181 -0.767 -6.567 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.747 0.210 -6.965 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.631 -1.089 -5.754 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.346 -3.110 -7.333 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.803 -3.528 -6.552 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.034 -3.838 -8.289 1.00 0.00 H new ATOM 709 N LEU A 49 -0.063 0.142 -7.324 1.00 0.00 N ATOM 710 CA LEU A 49 -0.611 1.486 -7.471 1.00 0.00 C ATOM 711 C LEU A 49 0.196 2.495 -6.660 1.00 0.00 C ATOM 712 O LEU A 49 0.147 2.498 -5.430 1.00 0.00 O ATOM 713 CB LEU A 49 -2.075 1.512 -7.028 1.00 0.00 C ATOM 714 CG LEU A 49 -2.998 0.496 -7.702 1.00 0.00 C ATOM 715 CD1 LEU A 49 -4.292 0.348 -6.916 1.00 0.00 C ATOM 716 CD2 LEU A 49 -3.288 0.908 -9.138 1.00 0.00 C ATOM 0 H LEU A 49 -0.312 -0.321 -6.450 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.551 1.763 -8.523 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.111 1.347 -5.951 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.472 2.511 -7.211 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.493 -0.470 -7.718 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.937 -0.379 -7.410 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.067 0.006 -5.906 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.801 1.311 -6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.946 0.173 -9.601 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.772 1.885 -9.146 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.354 0.962 -9.697 1.00 0.00 H new ATOM 728 N PHE A 50 0.935 3.351 -7.357 1.00 0.00 N ATOM 729 CA PHE A 50 1.752 4.366 -6.702 1.00 0.00 C ATOM 730 C PHE A 50 0.953 5.647 -6.481 1.00 0.00 C ATOM 731 O PHE A 50 0.592 6.339 -7.433 1.00 0.00 O ATOM 732 CB PHE A 50 2.997 4.666 -7.538 1.00 0.00 C ATOM 733 CG PHE A 50 3.960 3.516 -7.614 1.00 0.00 C ATOM 734 CD1 PHE A 50 4.513 2.981 -6.461 1.00 0.00 C ATOM 735 CD2 PHE A 50 4.312 2.969 -8.837 1.00 0.00 C ATOM 736 CE1 PHE A 50 5.400 1.924 -6.528 1.00 0.00 C ATOM 737 CE2 PHE A 50 5.199 1.911 -8.911 1.00 0.00 C ATOM 738 CZ PHE A 50 5.742 1.387 -7.754 1.00 0.00 C ATOM 0 H PHE A 50 0.985 3.362 -8.376 1.00 0.00 H new ATOM 0 HA PHE A 50 2.060 3.978 -5.731 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.690 4.939 -8.547 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.509 5.531 -7.115 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.247 3.395 -5.500 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.888 3.374 -9.744 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.826 1.518 -5.622 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.467 1.495 -9.871 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.433 0.559 -7.808 1.00 0.00 H new ATOM 748 N ARG A 51 0.679 5.956 -5.218 1.00 0.00 N ATOM 749 CA ARG A 51 -0.078 7.152 -4.870 1.00 0.00 C ATOM 750 C ARG A 51 0.857 8.317 -4.560 1.00 0.00 C ATOM 751 O ARG A 51 2.076 8.193 -4.673 1.00 0.00 O ATOM 752 CB ARG A 51 -0.984 6.877 -3.668 1.00 0.00 C ATOM 753 CG ARG A 51 -2.367 6.375 -4.050 1.00 0.00 C ATOM 754 CD ARG A 51 -3.183 7.459 -4.736 1.00 0.00 C ATOM 755 NE ARG A 51 -3.339 8.642 -3.894 1.00 0.00 N ATOM 756 CZ ARG A 51 -4.287 8.769 -2.972 1.00 0.00 C ATOM 757 NH1 ARG A 51 -5.158 7.790 -2.774 1.00 0.00 N ATOM 758 NH2 ARG A 51 -4.363 9.876 -2.245 1.00 0.00 N ATOM 0 H ARG A 51 0.970 5.394 -4.418 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.695 7.422 -5.727 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.505 6.140 -3.023 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.087 7.792 -3.085 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.273 5.515 -4.713 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.891 6.034 -3.157 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.698 7.741 -5.671 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.166 7.065 -4.993 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.684 9.413 -4.021 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.101 6.937 -3.330 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.885 7.890 -2.066 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.693 10.631 -2.394 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.091 9.972 -1.537 1.00 0.00 H new ATOM 772 N GLU A 52 0.277 9.447 -4.169 1.00 0.00 N ATOM 773 CA GLU A 52 1.059 10.634 -3.844 1.00 0.00 C ATOM 774 C GLU A 52 1.585 10.564 -2.413 1.00 0.00 C ATOM 775 O GLU A 52 2.730 10.926 -2.144 1.00 0.00 O ATOM 776 CB GLU A 52 0.213 11.896 -4.026 1.00 0.00 C ATOM 777 CG GLU A 52 -0.976 11.973 -3.082 1.00 0.00 C ATOM 778 CD GLU A 52 -2.104 12.823 -3.634 1.00 0.00 C ATOM 779 OE1 GLU A 52 -1.814 13.900 -4.196 1.00 0.00 O ATOM 780 OE2 GLU A 52 -3.276 12.412 -3.503 1.00 0.00 O ATOM 0 H GLU A 52 -0.731 9.566 -4.070 1.00 0.00 H new ATOM 0 HA GLU A 52 1.909 10.674 -4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.844 12.772 -3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.147 11.937 -5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.346 10.967 -2.887 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.651 12.384 -2.126 1.00 0.00 H new ATOM 787 N GLN A 53 0.739 10.096 -1.500 1.00 0.00 N ATOM 788 CA GLN A 53 1.118 9.980 -0.097 1.00 0.00 C ATOM 789 C GLN A 53 1.047 8.529 0.368 1.00 0.00 C ATOM 790 O GLN A 53 0.938 8.254 1.563 1.00 0.00 O ATOM 791 CB GLN A 53 0.210 10.851 0.772 1.00 0.00 C ATOM 792 CG GLN A 53 0.749 11.081 2.175 1.00 0.00 C ATOM 793 CD GLN A 53 -0.352 11.295 3.195 1.00 0.00 C ATOM 794 OE1 GLN A 53 -1.023 12.327 3.195 1.00 0.00 O ATOM 795 NE2 GLN A 53 -0.543 10.317 4.073 1.00 0.00 N ATOM 0 H GLN A 53 -0.212 9.791 -1.707 1.00 0.00 H new ATOM 0 HA GLN A 53 2.147 10.325 0.005 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.069 11.815 0.283 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.772 10.382 0.841 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.354 10.224 2.473 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.408 11.949 2.169 1.00 0.00 H new ATOM 0 HE21 GLN A 53 0.037 9.478 4.036 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.269 10.404 4.784 1.00 0.00 H new ATOM 804 N ASP A 54 1.108 7.604 -0.584 1.00 0.00 N ATOM 805 CA ASP A 54 1.050 6.181 -0.272 1.00 0.00 C ATOM 806 C ASP A 54 1.330 5.341 -1.515 1.00 0.00 C ATOM 807 O ASP A 54 1.618 5.875 -2.586 1.00 0.00 O ATOM 808 CB ASP A 54 -0.318 5.818 0.306 1.00 0.00 C ATOM 809 CG ASP A 54 -1.448 6.581 -0.357 1.00 0.00 C ATOM 810 OD1 ASP A 54 -1.412 7.829 -0.338 1.00 0.00 O ATOM 811 OD2 ASP A 54 -2.368 5.930 -0.895 1.00 0.00 O ATOM 0 H ASP A 54 1.198 7.814 -1.578 1.00 0.00 H new ATOM 0 HA ASP A 54 1.818 5.966 0.471 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.487 4.748 0.187 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.323 6.024 1.376 1.00 0.00 H new ATOM 816 N PHE A 55 1.243 4.023 -1.364 1.00 0.00 N ATOM 817 CA PHE A 55 1.489 3.109 -2.473 1.00 0.00 C ATOM 818 C PHE A 55 0.966 1.712 -2.152 1.00 0.00 C ATOM 819 O PHE A 55 1.464 1.042 -1.246 1.00 0.00 O ATOM 820 CB PHE A 55 2.985 3.046 -2.788 1.00 0.00 C ATOM 821 CG PHE A 55 3.744 2.097 -1.905 1.00 0.00 C ATOM 822 CD1 PHE A 55 3.814 0.748 -2.214 1.00 0.00 C ATOM 823 CD2 PHE A 55 4.387 2.553 -0.766 1.00 0.00 C ATOM 824 CE1 PHE A 55 4.512 -0.128 -1.405 1.00 0.00 C ATOM 825 CE2 PHE A 55 5.087 1.682 0.047 1.00 0.00 C ATOM 826 CZ PHE A 55 5.148 0.340 -0.272 1.00 0.00 C ATOM 0 H PHE A 55 1.004 3.565 -0.485 1.00 0.00 H new ATOM 0 HA PHE A 55 0.957 3.486 -3.346 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.117 2.747 -3.828 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.412 4.044 -2.687 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.317 0.377 -3.098 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.341 3.601 -0.510 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.560 -1.177 -1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.586 2.051 0.931 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.692 -0.343 0.364 1.00 0.00 H new ATOM 836 N THR A 56 -0.042 1.277 -2.901 1.00 0.00 N ATOM 837 CA THR A 56 -0.635 -0.039 -2.696 1.00 0.00 C ATOM 838 C THR A 56 0.010 -1.079 -3.604 1.00 0.00 C ATOM 839 O THR A 56 0.367 -0.786 -4.746 1.00 0.00 O ATOM 840 CB THR A 56 -2.153 -0.017 -2.956 1.00 0.00 C ATOM 841 OG1 THR A 56 -2.730 1.168 -2.396 1.00 0.00 O ATOM 842 CG2 THR A 56 -2.822 -1.245 -2.356 1.00 0.00 C ATOM 0 H THR A 56 -0.465 1.817 -3.656 1.00 0.00 H new ATOM 0 HA THR A 56 -0.456 -0.309 -1.655 1.00 0.00 H new ATOM 0 HB THR A 56 -2.315 -0.024 -4.034 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.695 1.175 -2.567 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.894 -1.208 -2.552 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.402 -2.145 -2.806 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.650 -1.263 -1.280 1.00 0.00 H new ATOM 850 N LEU A 57 0.156 -2.296 -3.091 1.00 0.00 N ATOM 851 CA LEU A 57 0.758 -3.382 -3.857 1.00 0.00 C ATOM 852 C LEU A 57 -0.161 -4.599 -3.891 1.00 0.00 C ATOM 853 O LEU A 57 -0.314 -5.301 -2.891 1.00 0.00 O ATOM 854 CB LEU A 57 2.111 -3.767 -3.257 1.00 0.00 C ATOM 855 CG LEU A 57 2.641 -5.153 -3.628 1.00 0.00 C ATOM 856 CD1 LEU A 57 2.971 -5.218 -5.111 1.00 0.00 C ATOM 857 CD2 LEU A 57 3.864 -5.498 -2.791 1.00 0.00 C ATOM 0 H LEU A 57 -0.134 -2.555 -2.148 1.00 0.00 H new ATOM 0 HA LEU A 57 0.907 -3.034 -4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.847 -3.024 -3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.034 -3.708 -2.171 1.00 0.00 H new ATOM 0 HG LEU A 57 1.863 -5.887 -3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.347 -6.211 -5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.072 -5.016 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.731 -4.474 -5.348 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.227 -6.487 -3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.647 -4.761 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.595 -5.493 -1.735 1.00 0.00 H new ATOM 869 N ILE A 58 -0.768 -4.843 -5.047 1.00 0.00 N ATOM 870 CA ILE A 58 -1.669 -5.977 -5.211 1.00 0.00 C ATOM 871 C ILE A 58 -1.012 -7.088 -6.023 1.00 0.00 C ATOM 872 O ILE A 58 -0.714 -6.916 -7.205 1.00 0.00 O ATOM 873 CB ILE A 58 -2.980 -5.559 -5.903 1.00 0.00 C ATOM 874 CG1 ILE A 58 -3.768 -4.597 -5.012 1.00 0.00 C ATOM 875 CG2 ILE A 58 -3.816 -6.785 -6.239 1.00 0.00 C ATOM 876 CD1 ILE A 58 -3.158 -3.216 -4.925 1.00 0.00 C ATOM 0 H ILE A 58 -0.652 -4.271 -5.884 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.897 -6.346 -4.211 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.735 -5.045 -6.833 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.786 -4.512 -5.394 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.838 -5.018 -4.009 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.739 -6.473 -6.727 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.254 -7.437 -6.908 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.055 -7.325 -5.323 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.770 -2.588 -4.277 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.151 -3.288 -4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.113 -2.775 -5.921 1.00 0.00 H new ATOM 888 N PHE A 59 -0.789 -8.230 -5.380 1.00 0.00 N ATOM 889 CA PHE A 59 -0.167 -9.371 -6.041 1.00 0.00 C ATOM 890 C PHE A 59 -0.667 -10.684 -5.446 1.00 0.00 C ATOM 891 O PHE A 59 -0.849 -10.797 -4.234 1.00 0.00 O ATOM 892 CB PHE A 59 1.356 -9.290 -5.921 1.00 0.00 C ATOM 893 CG PHE A 59 1.868 -9.633 -4.551 1.00 0.00 C ATOM 894 CD1 PHE A 59 1.766 -10.925 -4.062 1.00 0.00 C ATOM 895 CD2 PHE A 59 2.451 -8.662 -3.752 1.00 0.00 C ATOM 896 CE1 PHE A 59 2.235 -11.243 -2.801 1.00 0.00 C ATOM 897 CE2 PHE A 59 2.923 -8.974 -2.491 1.00 0.00 C ATOM 898 CZ PHE A 59 2.816 -10.266 -2.015 1.00 0.00 C ATOM 0 H PHE A 59 -1.030 -8.389 -4.402 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.443 -9.342 -7.095 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.806 -9.966 -6.648 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.680 -8.282 -6.179 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.315 -11.693 -4.673 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.537 -7.650 -4.119 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.147 -12.254 -2.431 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.375 -8.208 -1.878 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.186 -10.512 -1.031 1.00 0.00 H new ATOM 908 N GLN A 60 -0.887 -11.672 -6.307 1.00 0.00 N ATOM 909 CA GLN A 60 -1.366 -12.976 -5.866 1.00 0.00 C ATOM 910 C GLN A 60 -0.229 -13.992 -5.831 1.00 0.00 C ATOM 911 O GLN A 60 0.255 -14.436 -6.873 1.00 0.00 O ATOM 912 CB GLN A 60 -2.480 -13.473 -6.790 1.00 0.00 C ATOM 913 CG GLN A 60 -3.845 -12.887 -6.466 1.00 0.00 C ATOM 914 CD GLN A 60 -4.749 -12.809 -7.680 1.00 0.00 C ATOM 915 OE1 GLN A 60 -4.518 -13.481 -8.685 1.00 0.00 O ATOM 916 NE2 GLN A 60 -5.788 -11.986 -7.593 1.00 0.00 N ATOM 0 H GLN A 60 -0.741 -11.594 -7.314 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.762 -12.866 -4.856 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.223 -13.227 -7.820 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.536 -14.560 -6.726 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.325 -13.495 -5.699 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.718 -11.889 -6.048 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.942 -11.447 -6.741 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.432 -11.893 -8.379 1.00 0.00 H new ATOM 925 N THR A 61 0.196 -14.356 -4.624 1.00 0.00 N ATOM 926 CA THR A 61 1.278 -15.317 -4.453 1.00 0.00 C ATOM 927 C THR A 61 0.737 -16.693 -4.079 1.00 0.00 C ATOM 928 O THR A 61 -0.292 -16.805 -3.412 1.00 0.00 O ATOM 929 CB THR A 61 2.272 -14.857 -3.370 1.00 0.00 C ATOM 930 OG1 THR A 61 3.371 -15.772 -3.294 1.00 0.00 O ATOM 931 CG2 THR A 61 1.589 -14.763 -2.014 1.00 0.00 C ATOM 0 H THR A 61 -0.193 -13.999 -3.751 1.00 0.00 H new ATOM 0 HA THR A 61 1.798 -15.381 -5.409 1.00 0.00 H new ATOM 0 HB THR A 61 2.641 -13.868 -3.642 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.927 -15.683 -4.096 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.310 -14.436 -1.265 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.771 -14.044 -2.068 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.195 -15.741 -1.736 1.00 0.00 H new ATOM 939 N ARG A 62 1.436 -17.736 -4.513 1.00 0.00 N ATOM 940 CA ARG A 62 1.025 -19.105 -4.223 1.00 0.00 C ATOM 941 C ARG A 62 2.096 -19.836 -3.419 1.00 0.00 C ATOM 942 O ARG A 62 1.997 -21.040 -3.185 1.00 0.00 O ATOM 943 CB ARG A 62 0.743 -19.861 -5.523 1.00 0.00 C ATOM 944 CG ARG A 62 1.991 -20.154 -6.340 1.00 0.00 C ATOM 945 CD ARG A 62 1.640 -20.640 -7.738 1.00 0.00 C ATOM 946 NE ARG A 62 1.509 -22.094 -7.794 1.00 0.00 N ATOM 947 CZ ARG A 62 0.832 -22.735 -8.740 1.00 0.00 C ATOM 948 NH1 ARG A 62 0.228 -22.054 -9.704 1.00 0.00 N ATOM 949 NH2 ARG A 62 0.759 -24.060 -8.724 1.00 0.00 N ATOM 0 H ARG A 62 2.289 -17.660 -5.067 1.00 0.00 H new ATOM 0 HA ARG A 62 0.113 -19.066 -3.628 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.245 -20.801 -5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.050 -19.278 -6.130 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.602 -19.254 -6.409 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.591 -20.908 -5.831 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.706 -20.179 -8.058 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.411 -20.318 -8.438 1.00 0.00 H new ATOM 0 HE ARG A 62 1.962 -22.647 -7.067 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.283 -21.036 -9.720 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.291 -22.549 -10.429 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.223 -24.587 -7.985 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.239 -24.551 -9.451 1.00 0.00 H new ATOM 963 N ASP A 63 3.120 -19.099 -3.000 1.00 0.00 N ATOM 964 CA ASP A 63 4.209 -19.677 -2.222 1.00 0.00 C ATOM 965 C ASP A 63 3.712 -20.151 -0.860 1.00 0.00 C ATOM 966 O ASP A 63 3.332 -19.346 -0.012 1.00 0.00 O ATOM 967 CB ASP A 63 5.333 -18.655 -2.041 1.00 0.00 C ATOM 968 CG ASP A 63 6.611 -19.285 -1.524 1.00 0.00 C ATOM 969 OD1 ASP A 63 6.545 -20.023 -0.519 1.00 0.00 O ATOM 970 OD2 ASP A 63 7.678 -19.040 -2.126 1.00 0.00 O ATOM 0 H ASP A 63 3.218 -18.101 -3.186 1.00 0.00 H new ATOM 0 HA ASP A 63 4.595 -20.538 -2.768 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.532 -18.166 -2.995 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.007 -17.880 -1.347 1.00 0.00 H new ATOM 975 N GLY A 64 3.718 -21.466 -0.659 1.00 0.00 N ATOM 976 CA GLY A 64 3.264 -22.025 0.601 1.00 0.00 C ATOM 977 C GLY A 64 3.931 -21.375 1.797 1.00 0.00 C ATOM 978 O GLY A 64 3.360 -21.331 2.886 1.00 0.00 O ATOM 0 H GLY A 64 4.029 -22.153 -1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.184 -21.903 0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.466 -23.096 0.614 1.00 0.00 H new ATOM 982 N ASN A 65 5.144 -20.871 1.595 1.00 0.00 N ATOM 983 CA ASN A 65 5.890 -20.222 2.667 1.00 0.00 C ATOM 984 C ASN A 65 5.261 -18.882 3.034 1.00 0.00 C ATOM 985 O ASN A 65 5.275 -18.474 4.196 1.00 0.00 O ATOM 986 CB ASN A 65 7.348 -20.017 2.250 1.00 0.00 C ATOM 987 CG ASN A 65 8.025 -21.315 1.857 1.00 0.00 C ATOM 988 OD1 ASN A 65 7.456 -22.396 2.011 1.00 0.00 O ATOM 989 ND2 ASN A 65 9.247 -21.214 1.347 1.00 0.00 N ATOM 0 H ASN A 65 5.631 -20.899 0.699 1.00 0.00 H new ATOM 0 HA ASN A 65 5.857 -20.870 3.543 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.389 -19.321 1.412 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.897 -19.559 3.072 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.753 -22.054 1.065 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.680 -20.297 1.238 1.00 0.00 H new ATOM 996 N PHE A 66 4.708 -18.200 2.036 1.00 0.00 N ATOM 997 CA PHE A 66 4.074 -16.905 2.253 1.00 0.00 C ATOM 998 C PHE A 66 2.606 -17.076 2.633 1.00 0.00 C ATOM 999 O PHE A 66 2.076 -16.332 3.459 1.00 0.00 O ATOM 1000 CB PHE A 66 4.190 -16.040 0.996 1.00 0.00 C ATOM 1001 CG PHE A 66 3.725 -14.626 1.198 1.00 0.00 C ATOM 1002 CD1 PHE A 66 2.378 -14.340 1.348 1.00 0.00 C ATOM 1003 CD2 PHE A 66 4.636 -13.582 1.237 1.00 0.00 C ATOM 1004 CE1 PHE A 66 1.948 -13.040 1.532 1.00 0.00 C ATOM 1005 CE2 PHE A 66 4.212 -12.280 1.422 1.00 0.00 C ATOM 1006 CZ PHE A 66 2.866 -12.008 1.571 1.00 0.00 C ATOM 0 H PHE A 66 4.686 -18.523 1.069 1.00 0.00 H new ATOM 0 HA PHE A 66 4.589 -16.409 3.076 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.229 -16.029 0.666 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.607 -16.495 0.196 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.656 -15.142 1.321 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.690 -13.789 1.121 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.895 -12.830 1.645 1.00 0.00 H new ATOM 0 HE2 PHE A 66 4.932 -11.476 1.450 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.532 -10.991 1.718 1.00 0.00 H new ATOM 1016 N LEU A 67 1.954 -18.060 2.024 1.00 0.00 N ATOM 1017 CA LEU A 67 0.546 -18.330 2.297 1.00 0.00 C ATOM 1018 C LEU A 67 0.356 -18.841 3.721 1.00 0.00 C ATOM 1019 O LEU A 67 -0.450 -18.304 4.482 1.00 0.00 O ATOM 1020 CB LEU A 67 -0.001 -19.352 1.299 1.00 0.00 C ATOM 1021 CG LEU A 67 -0.321 -18.820 -0.099 1.00 0.00 C ATOM 1022 CD1 LEU A 67 -0.973 -19.902 -0.945 1.00 0.00 C ATOM 1023 CD2 LEU A 67 -1.219 -17.595 -0.011 1.00 0.00 C ATOM 0 H LEU A 67 2.377 -18.685 1.338 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.005 -17.396 2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.725 -20.159 1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.908 -19.788 1.717 1.00 0.00 H new ATOM 0 HG LEU A 67 0.613 -18.527 -0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.194 -19.505 -1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.295 -20.750 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.899 -20.227 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.436 -17.230 -1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.151 -17.862 0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.714 -16.814 0.558 1.00 0.00 H new ATOM 1035 N ARG A 68 1.105 -19.880 4.076 1.00 0.00 N ATOM 1036 CA ARG A 68 1.019 -20.464 5.410 1.00 0.00 C ATOM 1037 C ARG A 68 0.911 -19.375 6.473 1.00 0.00 C ATOM 1038 O ARG A 68 0.122 -19.485 7.413 1.00 0.00 O ATOM 1039 CB ARG A 68 2.241 -21.341 5.685 1.00 0.00 C ATOM 1040 CG ARG A 68 2.160 -22.717 5.045 1.00 0.00 C ATOM 1041 CD ARG A 68 3.505 -23.426 5.074 1.00 0.00 C ATOM 1042 NE ARG A 68 3.709 -24.163 6.319 1.00 0.00 N ATOM 1043 CZ ARG A 68 4.137 -23.601 7.444 1.00 0.00 C ATOM 1044 NH1 ARG A 68 4.407 -22.304 7.480 1.00 0.00 N ATOM 1045 NH2 ARG A 68 4.297 -24.339 8.535 1.00 0.00 N ATOM 0 H ARG A 68 1.778 -20.335 3.459 1.00 0.00 H new ATOM 0 HA ARG A 68 0.121 -21.080 5.453 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.133 -20.832 5.320 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.359 -21.457 6.762 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.418 -23.320 5.569 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.821 -22.620 4.014 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.570 -24.114 4.231 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.303 -22.694 4.951 1.00 0.00 H new ATOM 0 HE ARG A 68 3.512 -25.164 6.325 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.286 -21.735 6.642 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.735 -21.875 8.345 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.091 -25.338 8.510 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.626 -23.908 9.399 1.00 0.00 H new ATOM 1059 N LEU A 69 1.709 -18.324 6.320 1.00 0.00 N ATOM 1060 CA LEU A 69 1.704 -17.214 7.267 1.00 0.00 C ATOM 1061 C LEU A 69 0.312 -16.601 7.380 1.00 0.00 C ATOM 1062 O LEU A 69 -0.152 -16.286 8.476 1.00 0.00 O ATOM 1063 CB LEU A 69 2.711 -16.146 6.837 1.00 0.00 C ATOM 1064 CG LEU A 69 3.953 -16.652 6.103 1.00 0.00 C ATOM 1065 CD1 LEU A 69 4.957 -15.525 5.912 1.00 0.00 C ATOM 1066 CD2 LEU A 69 4.587 -17.810 6.861 1.00 0.00 C ATOM 0 H LEU A 69 2.368 -18.217 5.549 1.00 0.00 H new ATOM 0 HA LEU A 69 1.991 -17.602 8.245 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.199 -15.431 6.193 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.034 -15.602 7.724 1.00 0.00 H new ATOM 0 HG LEU A 69 3.649 -17.011 5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.834 -15.904 5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.501 -14.727 5.326 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.256 -15.135 6.885 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.470 -18.157 6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.877 -17.477 7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.869 -18.626 6.945 1.00 0.00 H new ATOM 1078 N HIS A 70 -0.350 -16.435 6.239 1.00 0.00 N ATOM 1079 CA HIS A 70 -1.691 -15.862 6.210 1.00 0.00 C ATOM 1080 C HIS A 70 -2.738 -16.941 5.947 1.00 0.00 C ATOM 1081 O HIS A 70 -3.089 -17.234 4.805 1.00 0.00 O ATOM 1082 CB HIS A 70 -1.781 -14.776 5.137 1.00 0.00 C ATOM 1083 CG HIS A 70 -0.925 -13.581 5.422 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -1.432 -12.387 5.892 1.00 0.00 N ATOM 1085 CD2 HIS A 70 0.411 -13.400 5.302 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -0.445 -11.524 6.047 1.00 0.00 C ATOM 1087 NE2 HIS A 70 0.684 -12.113 5.697 1.00 0.00 N ATOM 0 H HIS A 70 0.020 -16.689 5.323 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.890 -15.417 7.185 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.490 -15.201 4.176 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -2.818 -14.455 5.042 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.128 -14.131 4.960 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.544 -10.508 6.400 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.608 -11.682 5.717 1.00 0.00 H new ATOM 1096 N PRO A 71 -3.248 -17.547 7.030 1.00 0.00 N ATOM 1097 CA PRO A 71 -4.261 -18.603 6.942 1.00 0.00 C ATOM 1098 C PRO A 71 -5.614 -18.072 6.482 1.00 0.00 C ATOM 1099 O PRO A 71 -5.862 -16.867 6.515 1.00 0.00 O ATOM 1100 CB PRO A 71 -4.352 -19.127 8.377 1.00 0.00 C ATOM 1101 CG PRO A 71 -3.910 -17.986 9.226 1.00 0.00 C ATOM 1102 CD PRO A 71 -2.875 -17.249 8.423 1.00 0.00 C ATOM 0 HA PRO A 71 -3.992 -19.366 6.211 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.369 -19.433 8.623 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.713 -19.998 8.521 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.749 -17.335 9.473 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.493 -18.340 10.169 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.898 -16.178 8.625 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.867 -17.595 8.652 1.00 0.00 H new ATOM 1110 N GLY A 72 -6.486 -18.979 6.053 1.00 0.00 N ATOM 1111 CA GLY A 72 -7.804 -18.581 5.592 1.00 0.00 C ATOM 1112 C GLY A 72 -7.802 -18.139 4.142 1.00 0.00 C ATOM 1113 O GLY A 72 -8.861 -17.954 3.541 1.00 0.00 O ATOM 0 H GLY A 72 -6.304 -19.982 6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.495 -19.415 5.713 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.173 -17.767 6.216 1.00 0.00 H new ATOM 1117 N CYS A 73 -6.611 -17.968 3.579 1.00 0.00 N ATOM 1118 CA CYS A 73 -6.476 -17.543 2.190 1.00 0.00 C ATOM 1119 C CYS A 73 -5.760 -18.605 1.363 1.00 0.00 C ATOM 1120 O CYS A 73 -5.404 -19.667 1.872 1.00 0.00 O ATOM 1121 CB CYS A 73 -5.714 -16.219 2.113 1.00 0.00 C ATOM 1122 SG CYS A 73 -6.642 -14.795 2.729 1.00 0.00 S ATOM 0 H CYS A 73 -5.725 -18.117 4.063 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.476 -17.403 1.779 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.790 -16.311 2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -5.432 -16.034 1.076 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.848 -14.019 3.406 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.554 -18.312 0.083 1.00 0.00 N ATOM 1129 CA GLY A 74 -4.884 -19.253 -0.795 1.00 0.00 C ATOM 1130 C GLY A 74 -4.111 -18.563 -1.902 1.00 0.00 C ATOM 1131 O GLY A 74 -3.878 -17.355 -1.866 1.00 0.00 O ATOM 0 H GLY A 74 -5.839 -17.440 -0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.202 -19.869 -0.209 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.622 -19.924 -1.235 1.00 0.00 H new ATOM 1135 N PRO A 75 -3.698 -19.341 -2.914 1.00 0.00 N ATOM 1136 CA PRO A 75 -2.939 -18.819 -4.055 1.00 0.00 C ATOM 1137 C PRO A 75 -3.787 -17.929 -4.956 1.00 0.00 C ATOM 1138 O PRO A 75 -3.268 -17.041 -5.633 1.00 0.00 O ATOM 1139 CB PRO A 75 -2.509 -20.084 -4.803 1.00 0.00 C ATOM 1140 CG PRO A 75 -3.527 -21.107 -4.433 1.00 0.00 C ATOM 1141 CD PRO A 75 -3.940 -20.789 -3.022 1.00 0.00 C ATOM 0 HA PRO A 75 -2.106 -18.191 -3.738 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.487 -19.919 -5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.508 -20.397 -4.508 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.382 -21.069 -5.108 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.112 -22.113 -4.501 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.987 -21.036 -2.844 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.352 -21.350 -2.295 1.00 0.00 H new ATOM 1149 N HIS A 76 -5.094 -18.171 -4.960 1.00 0.00 N ATOM 1150 CA HIS A 76 -6.014 -17.390 -5.778 1.00 0.00 C ATOM 1151 C HIS A 76 -6.635 -16.257 -4.966 1.00 0.00 C ATOM 1152 O HIS A 76 -7.565 -15.590 -5.421 1.00 0.00 O ATOM 1153 CB HIS A 76 -7.114 -18.288 -6.346 1.00 0.00 C ATOM 1154 CG HIS A 76 -7.492 -19.418 -5.439 1.00 0.00 C ATOM 1155 ND1 HIS A 76 -7.608 -19.279 -4.072 1.00 0.00 N ATOM 1156 CD2 HIS A 76 -7.784 -20.711 -5.710 1.00 0.00 C ATOM 1157 CE1 HIS A 76 -7.953 -20.439 -3.541 1.00 0.00 C ATOM 1158 NE2 HIS A 76 -8.066 -21.325 -4.514 1.00 0.00 N ATOM 0 H HIS A 76 -5.540 -18.902 -4.406 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.449 -16.956 -6.602 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -7.998 -17.683 -6.547 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.782 -18.695 -7.301 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -7.794 -21.174 -6.686 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -8.115 -20.630 -2.490 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -8.321 -22.306 -4.396 1.00 0.00 H new ATOM 1167 N THR A 77 -6.116 -16.045 -3.761 1.00 0.00 N ATOM 1168 CA THR A 77 -6.620 -14.996 -2.885 1.00 0.00 C ATOM 1169 C THR A 77 -5.850 -13.695 -3.086 1.00 0.00 C ATOM 1170 O THR A 77 -4.683 -13.587 -2.706 1.00 0.00 O ATOM 1171 CB THR A 77 -6.531 -15.409 -1.404 1.00 0.00 C ATOM 1172 OG1 THR A 77 -7.396 -16.522 -1.152 1.00 0.00 O ATOM 1173 CG2 THR A 77 -6.910 -14.249 -0.495 1.00 0.00 C ATOM 0 H THR A 77 -5.346 -16.587 -3.369 1.00 0.00 H new ATOM 0 HA THR A 77 -7.666 -14.840 -3.148 1.00 0.00 H new ATOM 0 HB THR A 77 -5.501 -15.695 -1.191 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.711 -16.488 -0.225 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.840 -14.564 0.546 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.231 -13.414 -0.668 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.932 -13.936 -0.711 1.00 0.00 H new ATOM 1181 N THR A 78 -6.510 -12.709 -3.685 1.00 0.00 N ATOM 1182 CA THR A 78 -5.887 -11.415 -3.936 1.00 0.00 C ATOM 1183 C THR A 78 -5.451 -10.753 -2.634 1.00 0.00 C ATOM 1184 O THR A 78 -6.188 -10.753 -1.648 1.00 0.00 O ATOM 1185 CB THR A 78 -6.842 -10.468 -4.686 1.00 0.00 C ATOM 1186 OG1 THR A 78 -7.405 -11.136 -5.820 1.00 0.00 O ATOM 1187 CG2 THR A 78 -6.113 -9.212 -5.140 1.00 0.00 C ATOM 0 H THR A 78 -7.476 -12.782 -4.005 1.00 0.00 H new ATOM 0 HA THR A 78 -5.011 -11.601 -4.557 1.00 0.00 H new ATOM 0 HB THR A 78 -7.641 -10.178 -4.003 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.012 -10.527 -6.291 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.808 -8.558 -5.667 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.712 -8.690 -4.271 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.296 -9.487 -5.807 1.00 0.00 H new ATOM 1195 N PHE A 79 -4.248 -10.187 -2.638 1.00 0.00 N ATOM 1196 CA PHE A 79 -3.713 -9.520 -1.456 1.00 0.00 C ATOM 1197 C PHE A 79 -3.433 -8.048 -1.742 1.00 0.00 C ATOM 1198 O PHE A 79 -2.731 -7.713 -2.696 1.00 0.00 O ATOM 1199 CB PHE A 79 -2.432 -10.214 -0.989 1.00 0.00 C ATOM 1200 CG PHE A 79 -2.652 -11.620 -0.509 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -3.663 -11.908 0.393 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -1.849 -12.655 -0.962 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -3.868 -13.201 0.837 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -2.049 -13.950 -0.522 1.00 0.00 C ATOM 1205 CZ PHE A 79 -3.060 -14.223 0.378 1.00 0.00 C ATOM 0 H PHE A 79 -3.626 -10.177 -3.446 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.460 -9.582 -0.665 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.715 -10.227 -1.810 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.985 -9.630 -0.185 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.299 -11.113 0.754 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -1.058 -12.447 -1.667 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.659 -13.412 1.542 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.415 -14.747 -0.882 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.219 -15.234 0.723 1.00 0.00 H new ATOM 1215 N ARG A 80 -3.987 -7.174 -0.909 1.00 0.00 N ATOM 1216 CA ARG A 80 -3.798 -5.737 -1.073 1.00 0.00 C ATOM 1217 C ARG A 80 -2.955 -5.166 0.064 1.00 0.00 C ATOM 1218 O ARG A 80 -3.391 -5.129 1.215 1.00 0.00 O ATOM 1219 CB ARG A 80 -5.152 -5.026 -1.125 1.00 0.00 C ATOM 1220 CG ARG A 80 -5.082 -3.628 -1.716 1.00 0.00 C ATOM 1221 CD ARG A 80 -6.251 -2.770 -1.257 1.00 0.00 C ATOM 1222 NE ARG A 80 -6.268 -1.468 -1.917 1.00 0.00 N ATOM 1223 CZ ARG A 80 -7.005 -0.443 -1.503 1.00 0.00 C ATOM 1224 NH1 ARG A 80 -7.781 -0.569 -0.436 1.00 0.00 N ATOM 1225 NH2 ARG A 80 -6.966 0.711 -2.157 1.00 0.00 N ATOM 0 H ARG A 80 -4.570 -7.435 -0.114 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.271 -5.570 -2.012 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.846 -5.626 -1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.560 -4.965 -0.116 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.145 -3.155 -1.423 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -5.081 -3.691 -2.804 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.186 -3.292 -1.462 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -6.195 -2.628 -0.178 1.00 0.00 H new ATOM 0 HE ARG A 80 -5.682 -1.338 -2.741 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.813 -1.454 0.069 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -8.346 0.219 -0.120 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -6.370 0.812 -2.978 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.532 1.497 -1.838 1.00 0.00 H new ATOM 1239 N TRP A 81 -1.748 -4.724 -0.267 1.00 0.00 N ATOM 1240 CA TRP A 81 -0.843 -4.155 0.727 1.00 0.00 C ATOM 1241 C TRP A 81 -0.742 -2.642 0.568 1.00 0.00 C ATOM 1242 O TRP A 81 -0.053 -2.149 -0.325 1.00 0.00 O ATOM 1243 CB TRP A 81 0.544 -4.788 0.605 1.00 0.00 C ATOM 1244 CG TRP A 81 1.412 -4.550 1.803 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.016 -4.519 3.109 1.00 0.00 C ATOM 1246 CD2 TRP A 81 2.824 -4.310 1.804 1.00 0.00 C ATOM 1247 NE1 TRP A 81 2.095 -4.272 3.923 1.00 0.00 N ATOM 1248 CE2 TRP A 81 3.216 -4.141 3.147 1.00 0.00 C ATOM 1249 CE3 TRP A 81 3.794 -4.222 0.803 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 4.537 -3.889 3.509 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 5.104 -3.971 1.164 1.00 0.00 C ATOM 1252 CH2 TRP A 81 5.466 -3.808 2.508 1.00 0.00 C ATOM 0 H TRP A 81 -1.372 -4.748 -1.215 1.00 0.00 H new ATOM 0 HA TRP A 81 -1.247 -4.371 1.716 1.00 0.00 H new ATOM 0 HB2 TRP A 81 0.434 -5.862 0.453 1.00 0.00 H new ATOM 0 HB3 TRP A 81 1.041 -4.390 -0.280 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.003 -4.667 3.452 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.066 -4.198 4.940 1.00 0.00 H new ATOM 0 HE3 TRP A 81 3.525 -4.348 -0.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 4.818 -3.762 4.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 5.862 -3.899 0.398 1.00 0.00 H new ATOM 0 HH2 TRP A 81 6.499 -3.615 2.758 1.00 0.00 H new ATOM 1263 N GLN A 82 -1.432 -1.912 1.438 1.00 0.00 N ATOM 1264 CA GLN A 82 -1.418 -0.455 1.392 1.00 0.00 C ATOM 1265 C GLN A 82 -0.508 0.115 2.475 1.00 0.00 C ATOM 1266 O GLN A 82 -0.631 -0.232 3.650 1.00 0.00 O ATOM 1267 CB GLN A 82 -2.835 0.095 1.559 1.00 0.00 C ATOM 1268 CG GLN A 82 -2.975 1.552 1.150 1.00 0.00 C ATOM 1269 CD GLN A 82 -4.421 1.979 0.995 1.00 0.00 C ATOM 1270 OE1 GLN A 82 -4.752 2.791 0.131 1.00 0.00 O ATOM 1271 NE2 GLN A 82 -5.293 1.433 1.835 1.00 0.00 N ATOM 0 H GLN A 82 -2.007 -2.305 2.183 1.00 0.00 H new ATOM 0 HA GLN A 82 -1.030 -0.151 0.420 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.522 -0.508 0.965 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.137 -0.012 2.601 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.492 2.183 1.896 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.450 1.713 0.209 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.975 0.764 2.536 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.280 1.683 1.779 1.00 0.00 H new ATOM 1280 N VAL A 83 0.406 0.992 2.072 1.00 0.00 N ATOM 1281 CA VAL A 83 1.337 1.611 3.008 1.00 0.00 C ATOM 1282 C VAL A 83 1.112 3.116 3.093 1.00 0.00 C ATOM 1283 O VAL A 83 0.935 3.787 2.076 1.00 0.00 O ATOM 1284 CB VAL A 83 2.800 1.344 2.604 1.00 0.00 C ATOM 1285 CG1 VAL A 83 3.751 2.133 3.491 1.00 0.00 C ATOM 1286 CG2 VAL A 83 3.107 -0.144 2.669 1.00 0.00 C ATOM 0 H VAL A 83 0.522 1.290 1.103 1.00 0.00 H new ATOM 0 HA VAL A 83 1.149 1.163 3.984 1.00 0.00 H new ATOM 0 HB VAL A 83 2.942 1.676 1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.779 1.932 3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.545 3.198 3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.611 1.835 4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.144 -0.314 2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.949 -0.504 3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.448 -0.682 1.987 1.00 0.00 H new ATOM 1296 N LYS A 84 1.119 3.642 4.313 1.00 0.00 N ATOM 1297 CA LYS A 84 0.917 5.069 4.533 1.00 0.00 C ATOM 1298 C LYS A 84 2.250 5.782 4.737 1.00 0.00 C ATOM 1299 O LYS A 84 2.868 5.674 5.797 1.00 0.00 O ATOM 1300 CB LYS A 84 0.014 5.296 5.748 1.00 0.00 C ATOM 1301 CG LYS A 84 -0.627 6.672 5.780 1.00 0.00 C ATOM 1302 CD LYS A 84 -1.876 6.686 6.646 1.00 0.00 C ATOM 1303 CE LYS A 84 -2.546 8.051 6.637 1.00 0.00 C ATOM 1304 NZ LYS A 84 -3.319 8.281 5.385 1.00 0.00 N ATOM 0 H LYS A 84 1.263 3.101 5.165 1.00 0.00 H new ATOM 0 HA LYS A 84 0.435 5.483 3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.770 4.539 5.754 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.599 5.156 6.657 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.090 7.399 6.162 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.883 6.979 4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.577 5.933 6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.614 6.415 7.669 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.212 8.134 7.496 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.789 8.828 6.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.760 9.222 5.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.679 8.227 4.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.058 7.555 5.295 1.00 0.00 H new ATOM 1318 N LEU A 85 2.687 6.512 3.717 1.00 0.00 N ATOM 1319 CA LEU A 85 3.946 7.245 3.785 1.00 0.00 C ATOM 1320 C LEU A 85 3.758 8.588 4.483 1.00 0.00 C ATOM 1321 O LEU A 85 2.905 9.387 4.095 1.00 0.00 O ATOM 1322 CB LEU A 85 4.508 7.463 2.379 1.00 0.00 C ATOM 1323 CG LEU A 85 4.377 6.285 1.414 1.00 0.00 C ATOM 1324 CD1 LEU A 85 4.361 6.774 -0.026 1.00 0.00 C ATOM 1325 CD2 LEU A 85 5.510 5.291 1.629 1.00 0.00 C ATOM 0 H LEU A 85 2.188 6.612 2.833 1.00 0.00 H new ATOM 0 HA LEU A 85 4.653 6.651 4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.007 8.325 1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.564 7.719 2.467 1.00 0.00 H new ATOM 0 HG LEU A 85 3.433 5.779 1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.267 5.922 -0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.516 7.447 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.289 7.305 -0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.401 4.459 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.466 5.786 1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.476 4.916 2.652 1.00 0.00 H new ATOM 1337 N ARG A 86 4.561 8.831 5.514 1.00 0.00 N ATOM 1338 CA ARG A 86 4.483 10.078 6.266 1.00 0.00 C ATOM 1339 C ARG A 86 4.518 11.281 5.329 1.00 0.00 C ATOM 1340 O ARG A 86 3.565 12.055 5.261 1.00 0.00 O ATOM 1341 CB ARG A 86 5.635 10.165 7.269 1.00 0.00 C ATOM 1342 CG ARG A 86 5.484 9.224 8.453 1.00 0.00 C ATOM 1343 CD ARG A 86 4.704 9.874 9.585 1.00 0.00 C ATOM 1344 NE ARG A 86 3.305 10.096 9.229 1.00 0.00 N ATOM 1345 CZ ARG A 86 2.533 11.003 9.817 1.00 0.00 C ATOM 1346 NH1 ARG A 86 3.020 11.768 10.784 1.00 0.00 N ATOM 1347 NH2 ARG A 86 1.269 11.146 9.437 1.00 0.00 N ATOM 0 H ARG A 86 5.273 8.181 5.848 1.00 0.00 H new ATOM 0 HA ARG A 86 3.537 10.089 6.807 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.570 9.942 6.755 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.709 11.189 7.636 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.975 8.315 8.134 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.470 8.928 8.812 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.757 9.242 10.471 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.167 10.826 9.845 1.00 0.00 H new ATOM 0 HE ARG A 86 2.899 9.524 8.489 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.991 11.661 11.079 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.424 12.463 11.233 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.891 10.559 8.693 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.676 11.843 9.889 1.00 0.00 H new ATOM 1361 N ASN A 87 5.625 11.431 4.608 1.00 0.00 N ATOM 1362 CA ASN A 87 5.785 12.541 3.675 1.00 0.00 C ATOM 1363 C ASN A 87 5.210 12.189 2.307 1.00 0.00 C ATOM 1364 O ASN A 87 4.786 11.056 2.072 1.00 0.00 O ATOM 1365 CB ASN A 87 7.263 12.912 3.540 1.00 0.00 C ATOM 1366 CG ASN A 87 7.696 13.945 4.562 1.00 0.00 C ATOM 1367 OD1 ASN A 87 6.868 14.660 5.128 1.00 0.00 O ATOM 1368 ND2 ASN A 87 8.999 14.029 4.803 1.00 0.00 N ATOM 0 H ASN A 87 6.424 10.798 4.652 1.00 0.00 H new ATOM 0 HA ASN A 87 5.237 13.397 4.070 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.872 12.015 3.654 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.448 13.297 2.537 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.350 14.706 5.480 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.649 13.416 4.311 1.00 0.00 H new ATOM 1375 N LEU A 88 5.199 13.165 1.406 1.00 0.00 N ATOM 1376 CA LEU A 88 4.677 12.959 0.060 1.00 0.00 C ATOM 1377 C LEU A 88 5.741 12.350 -0.849 1.00 0.00 C ATOM 1378 O LEU A 88 6.935 12.418 -0.555 1.00 0.00 O ATOM 1379 CB LEU A 88 4.187 14.284 -0.527 1.00 0.00 C ATOM 1380 CG LEU A 88 2.740 14.664 -0.209 1.00 0.00 C ATOM 1381 CD1 LEU A 88 2.361 15.958 -0.911 1.00 0.00 C ATOM 1382 CD2 LEU A 88 1.794 13.541 -0.608 1.00 0.00 C ATOM 0 H LEU A 88 5.546 14.108 1.584 1.00 0.00 H new ATOM 0 HA LEU A 88 3.839 12.265 0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.838 15.081 -0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.301 14.243 -1.610 1.00 0.00 H new ATOM 0 HG LEU A 88 2.653 14.820 0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.328 16.212 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.019 16.760 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.464 15.831 -1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.769 13.829 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.883 13.353 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.051 12.636 -0.058 1.00 0.00 H new ATOM 1394 N ILE A 89 5.299 11.758 -1.953 1.00 0.00 N ATOM 1395 CA ILE A 89 6.213 11.141 -2.906 1.00 0.00 C ATOM 1396 C ILE A 89 5.787 11.428 -4.342 1.00 0.00 C ATOM 1397 O ILE A 89 4.802 12.127 -4.579 1.00 0.00 O ATOM 1398 CB ILE A 89 6.294 9.616 -2.702 1.00 0.00 C ATOM 1399 CG1 ILE A 89 4.901 8.991 -2.805 1.00 0.00 C ATOM 1400 CG2 ILE A 89 6.926 9.295 -1.356 1.00 0.00 C ATOM 1401 CD1 ILE A 89 4.920 7.540 -3.230 1.00 0.00 C ATOM 0 H ILE A 89 4.314 11.693 -2.210 1.00 0.00 H new ATOM 0 HA ILE A 89 7.196 11.577 -2.727 1.00 0.00 H new ATOM 0 HB ILE A 89 6.921 9.192 -3.486 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.403 9.072 -1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.307 9.562 -3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.976 8.214 -1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.932 9.712 -1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 89 6.323 9.728 -0.558 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.899 7.163 -3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.389 7.454 -4.210 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.486 6.956 -2.505 1.00 0.00 H new ATOM 1413 N GLU A 90 6.535 10.883 -5.296 1.00 0.00 N ATOM 1414 CA GLU A 90 6.234 11.081 -6.709 1.00 0.00 C ATOM 1415 C GLU A 90 5.977 9.746 -7.402 1.00 0.00 C ATOM 1416 O GLU A 90 6.893 9.084 -7.889 1.00 0.00 O ATOM 1417 CB GLU A 90 7.385 11.815 -7.401 1.00 0.00 C ATOM 1418 CG GLU A 90 7.258 13.328 -7.353 1.00 0.00 C ATOM 1419 CD GLU A 90 8.603 14.027 -7.387 1.00 0.00 C ATOM 1420 OE1 GLU A 90 9.559 13.504 -6.776 1.00 0.00 O ATOM 1421 OE2 GLU A 90 8.700 15.097 -8.024 1.00 0.00 O ATOM 0 H GLU A 90 7.353 10.301 -5.116 1.00 0.00 H new ATOM 0 HA GLU A 90 5.331 11.688 -6.781 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.325 11.523 -6.933 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.435 11.496 -8.442 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.656 13.665 -8.197 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.726 13.616 -6.446 1.00 0.00 H new ATOM 1428 N PRO A 91 4.699 9.340 -7.448 1.00 0.00 N ATOM 1429 CA PRO A 91 4.291 8.082 -8.079 1.00 0.00 C ATOM 1430 C PRO A 91 4.436 8.120 -9.597 1.00 0.00 C ATOM 1431 O PRO A 91 4.439 7.081 -10.255 1.00 0.00 O ATOM 1432 CB PRO A 91 2.817 7.950 -7.686 1.00 0.00 C ATOM 1433 CG PRO A 91 2.363 9.348 -7.442 1.00 0.00 C ATOM 1434 CD PRO A 91 3.555 10.079 -6.889 1.00 0.00 C ATOM 0 HA PRO A 91 4.910 7.245 -7.756 1.00 0.00 H new ATOM 0 HB2 PRO A 91 2.237 7.478 -8.479 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.699 7.334 -6.795 1.00 0.00 H new ATOM 0 HG2 PRO A 91 2.014 9.812 -8.365 1.00 0.00 H new ATOM 0 HG3 PRO A 91 1.530 9.371 -6.739 1.00 0.00 H new ATOM 0 HD2 PRO A 91 3.563 11.125 -7.197 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.563 10.067 -5.799 1.00 0.00 H new ATOM 1442 N GLU A 92 4.555 9.326 -10.145 1.00 0.00 N ATOM 1443 CA GLU A 92 4.700 9.498 -11.586 1.00 0.00 C ATOM 1444 C GLU A 92 6.053 8.978 -12.062 1.00 0.00 C ATOM 1445 O GLU A 92 6.248 8.725 -13.251 1.00 0.00 O ATOM 1446 CB GLU A 92 4.546 10.972 -11.964 1.00 0.00 C ATOM 1447 CG GLU A 92 3.104 11.450 -11.975 1.00 0.00 C ATOM 1448 CD GLU A 92 2.928 12.757 -12.723 1.00 0.00 C ATOM 1449 OE1 GLU A 92 2.957 12.734 -13.971 1.00 0.00 O ATOM 1450 OE2 GLU A 92 2.762 13.803 -12.061 1.00 0.00 O ATOM 0 H GLU A 92 4.554 10.197 -9.614 1.00 0.00 H new ATOM 0 HA GLU A 92 3.916 8.921 -12.076 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.116 11.580 -11.262 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.981 11.133 -12.951 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.476 10.686 -12.433 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.758 11.574 -10.949 1.00 0.00 H new ATOM 1457 N GLN A 93 6.984 8.822 -11.126 1.00 0.00 N ATOM 1458 CA GLN A 93 8.319 8.334 -11.451 1.00 0.00 C ATOM 1459 C GLN A 93 8.571 6.972 -10.812 1.00 0.00 C ATOM 1460 O GLN A 93 9.540 6.289 -11.146 1.00 0.00 O ATOM 1461 CB GLN A 93 9.378 9.334 -10.983 1.00 0.00 C ATOM 1462 CG GLN A 93 8.991 10.785 -11.219 1.00 0.00 C ATOM 1463 CD GLN A 93 10.195 11.690 -11.390 1.00 0.00 C ATOM 1464 OE1 GLN A 93 11.107 11.390 -12.162 1.00 0.00 O ATOM 1465 NE2 GLN A 93 10.204 12.805 -10.670 1.00 0.00 N ATOM 0 H GLN A 93 6.838 9.026 -10.137 1.00 0.00 H new ATOM 0 HA GLN A 93 8.385 8.225 -12.533 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.562 9.184 -9.919 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.315 9.128 -11.501 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.364 10.850 -12.108 1.00 0.00 H new ATOM 0 HG3 GLN A 93 8.392 11.138 -10.380 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.427 13.013 -10.043 1.00 0.00 H new ATOM 0 HE22 GLN A 93 10.988 13.453 -10.744 1.00 0.00 H new ATOM 1474 N CYS A 94 7.695 6.585 -9.892 1.00 0.00 N ATOM 1475 CA CYS A 94 7.823 5.305 -9.204 1.00 0.00 C ATOM 1476 C CYS A 94 7.693 4.145 -10.186 1.00 0.00 C ATOM 1477 O CYS A 94 7.102 4.287 -11.257 1.00 0.00 O ATOM 1478 CB CYS A 94 6.763 5.182 -8.108 1.00 0.00 C ATOM 1479 SG CYS A 94 7.068 6.229 -6.666 1.00 0.00 S ATOM 0 H CYS A 94 6.888 7.139 -9.605 1.00 0.00 H new ATOM 0 HA CYS A 94 8.812 5.263 -8.748 1.00 0.00 H new ATOM 0 HB2 CYS A 94 5.790 5.436 -8.528 1.00 0.00 H new ATOM 0 HB3 CYS A 94 6.709 4.143 -7.784 1.00 0.00 H new ATOM 0 HG CYS A 94 7.071 7.477 -7.029 1.00 0.00 H new ATOM 1485 N THR A 95 8.251 2.997 -9.815 1.00 0.00 N ATOM 1486 CA THR A 95 8.201 1.813 -10.664 1.00 0.00 C ATOM 1487 C THR A 95 8.108 0.541 -9.829 1.00 0.00 C ATOM 1488 O THR A 95 8.630 0.479 -8.716 1.00 0.00 O ATOM 1489 CB THR A 95 9.437 1.725 -11.579 1.00 0.00 C ATOM 1490 OG1 THR A 95 10.618 1.539 -10.790 1.00 0.00 O ATOM 1491 CG2 THR A 95 9.577 2.983 -12.423 1.00 0.00 C ATOM 0 H THR A 95 8.743 2.862 -8.932 1.00 0.00 H new ATOM 0 HA THR A 95 7.307 1.904 -11.282 1.00 0.00 H new ATOM 0 HB THR A 95 9.308 0.873 -12.246 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.399 1.482 -11.379 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.457 2.897 -13.061 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.689 3.105 -13.044 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.685 3.849 -11.770 1.00 0.00 H new ATOM 1499 N PHE A 96 7.442 -0.471 -10.373 1.00 0.00 N ATOM 1500 CA PHE A 96 7.281 -1.743 -9.677 1.00 0.00 C ATOM 1501 C PHE A 96 7.604 -2.913 -10.602 1.00 0.00 C ATOM 1502 O PHE A 96 7.062 -3.016 -11.703 1.00 0.00 O ATOM 1503 CB PHE A 96 5.854 -1.879 -9.143 1.00 0.00 C ATOM 1504 CG PHE A 96 4.875 -2.375 -10.168 1.00 0.00 C ATOM 1505 CD1 PHE A 96 4.745 -3.731 -10.422 1.00 0.00 C ATOM 1506 CD2 PHE A 96 4.084 -1.486 -10.877 1.00 0.00 C ATOM 1507 CE1 PHE A 96 3.845 -4.191 -11.364 1.00 0.00 C ATOM 1508 CE2 PHE A 96 3.182 -1.940 -11.820 1.00 0.00 C ATOM 1509 CZ PHE A 96 3.063 -3.295 -12.065 1.00 0.00 C ATOM 0 H PHE A 96 7.005 -0.436 -11.294 1.00 0.00 H new ATOM 0 HA PHE A 96 7.978 -1.762 -8.839 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.856 -2.562 -8.294 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.520 -0.910 -8.772 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.354 -4.437 -9.877 1.00 0.00 H new ATOM 0 HD2 PHE A 96 4.173 -0.426 -10.691 1.00 0.00 H new ATOM 0 HE1 PHE A 96 3.753 -5.251 -11.552 1.00 0.00 H new ATOM 0 HE2 PHE A 96 2.570 -1.237 -12.365 1.00 0.00 H new ATOM 0 HZ PHE A 96 2.360 -3.652 -12.803 1.00 0.00 H new ATOM 1519 N CYS A 97 8.490 -3.792 -10.146 1.00 0.00 N ATOM 1520 CA CYS A 97 8.887 -4.955 -10.932 1.00 0.00 C ATOM 1521 C CYS A 97 9.275 -6.118 -10.025 1.00 0.00 C ATOM 1522 O CYS A 97 10.059 -5.955 -9.090 1.00 0.00 O ATOM 1523 CB CYS A 97 10.056 -4.599 -11.853 1.00 0.00 C ATOM 1524 SG CYS A 97 9.580 -3.648 -13.315 1.00 0.00 S ATOM 0 H CYS A 97 8.947 -3.721 -9.237 1.00 0.00 H new ATOM 0 HA CYS A 97 8.035 -5.260 -11.539 1.00 0.00 H new ATOM 0 HB2 CYS A 97 10.791 -4.029 -11.285 1.00 0.00 H new ATOM 0 HB3 CYS A 97 10.545 -5.519 -12.174 1.00 0.00 H new ATOM 0 HG CYS A 97 8.458 -3.033 -13.086 1.00 0.00 H new ATOM 1530 N PHE A 98 8.718 -7.291 -10.305 1.00 0.00 N ATOM 1531 CA PHE A 98 9.003 -8.482 -9.513 1.00 0.00 C ATOM 1532 C PHE A 98 10.417 -8.989 -9.782 1.00 0.00 C ATOM 1533 O PHE A 98 11.008 -8.692 -10.821 1.00 0.00 O ATOM 1534 CB PHE A 98 7.986 -9.582 -9.823 1.00 0.00 C ATOM 1535 CG PHE A 98 6.559 -9.127 -9.715 1.00 0.00 C ATOM 1536 CD1 PHE A 98 5.912 -8.566 -10.804 1.00 0.00 C ATOM 1537 CD2 PHE A 98 5.864 -9.261 -8.524 1.00 0.00 C ATOM 1538 CE1 PHE A 98 4.599 -8.147 -10.708 1.00 0.00 C ATOM 1539 CE2 PHE A 98 4.550 -8.844 -8.422 1.00 0.00 C ATOM 1540 CZ PHE A 98 3.917 -8.285 -9.515 1.00 0.00 C ATOM 0 H PHE A 98 8.066 -7.443 -11.075 1.00 0.00 H new ATOM 0 HA PHE A 98 8.927 -8.214 -8.459 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.164 -9.957 -10.831 1.00 0.00 H new ATOM 0 HB3 PHE A 98 8.146 -10.416 -9.140 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.440 -8.455 -11.739 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.354 -9.696 -7.666 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.106 -7.712 -11.565 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.019 -8.955 -7.488 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.891 -7.957 -9.437 1.00 0.00 H new ATOM 1550 N THR A 99 10.953 -9.756 -8.839 1.00 0.00 N ATOM 1551 CA THR A 99 12.297 -10.304 -8.972 1.00 0.00 C ATOM 1552 C THR A 99 12.290 -11.821 -8.826 1.00 0.00 C ATOM 1553 O THR A 99 11.230 -12.442 -8.758 1.00 0.00 O ATOM 1554 CB THR A 99 13.255 -9.704 -7.925 1.00 0.00 C ATOM 1555 OG1 THR A 99 13.308 -10.547 -6.769 1.00 0.00 O ATOM 1556 CG2 THR A 99 12.808 -8.307 -7.520 1.00 0.00 C ATOM 0 H THR A 99 10.477 -10.012 -7.974 1.00 0.00 H new ATOM 0 HA THR A 99 12.648 -10.039 -9.969 1.00 0.00 H new ATOM 0 HB THR A 99 14.248 -9.636 -8.370 1.00 0.00 H new ATOM 0 HG1 THR A 99 14.131 -11.078 -6.789 1.00 0.00 H new ATOM 0 HG21 THR A 99 13.500 -7.904 -6.780 1.00 0.00 H new ATOM 0 HG22 THR A 99 12.797 -7.660 -8.397 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.807 -8.355 -7.092 1.00 0.00 H new ATOM 1564 N ALA A 100 13.479 -12.413 -8.779 1.00 0.00 N ATOM 1565 CA ALA A 100 13.609 -13.858 -8.639 1.00 0.00 C ATOM 1566 C ALA A 100 12.671 -14.391 -7.561 1.00 0.00 C ATOM 1567 O ALA A 100 11.644 -14.998 -7.863 1.00 0.00 O ATOM 1568 CB ALA A 100 15.049 -14.230 -8.320 1.00 0.00 C ATOM 0 H ALA A 100 14.367 -11.914 -8.836 1.00 0.00 H new ATOM 0 HA ALA A 100 13.329 -14.317 -9.587 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.131 -15.312 -8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 100 15.700 -13.891 -9.126 1.00 0.00 H new ATOM 0 HB3 ALA A 100 15.350 -13.754 -7.387 1.00 0.00 H new ATOM 1574 N SER A 101 13.033 -14.161 -6.302 1.00 0.00 N ATOM 1575 CA SER A 101 12.226 -14.622 -5.179 1.00 0.00 C ATOM 1576 C SER A 101 11.778 -13.448 -4.313 1.00 0.00 C ATOM 1577 O SER A 101 11.400 -13.626 -3.155 1.00 0.00 O ATOM 1578 CB SER A 101 13.016 -15.623 -4.333 1.00 0.00 C ATOM 1579 OG SER A 101 14.242 -15.064 -3.895 1.00 0.00 O ATOM 0 H SER A 101 13.879 -13.658 -6.035 1.00 0.00 H new ATOM 0 HA SER A 101 11.340 -15.115 -5.579 1.00 0.00 H new ATOM 0 HB2 SER A 101 12.421 -15.924 -3.471 1.00 0.00 H new ATOM 0 HB3 SER A 101 13.211 -16.523 -4.916 1.00 0.00 H new ATOM 0 HG SER A 101 14.727 -15.722 -3.355 1.00 0.00 H new ATOM 1585 N ARG A 102 11.825 -12.249 -4.883 1.00 0.00 N ATOM 1586 CA ARG A 102 11.426 -11.045 -4.164 1.00 0.00 C ATOM 1587 C ARG A 102 10.871 -9.997 -5.124 1.00 0.00 C ATOM 1588 O ARG A 102 10.949 -10.155 -6.343 1.00 0.00 O ATOM 1589 CB ARG A 102 12.615 -10.468 -3.394 1.00 0.00 C ATOM 1590 CG ARG A 102 13.600 -9.713 -4.272 1.00 0.00 C ATOM 1591 CD ARG A 102 14.436 -8.736 -3.459 1.00 0.00 C ATOM 1592 NE ARG A 102 15.413 -8.032 -4.285 1.00 0.00 N ATOM 1593 CZ ARG A 102 16.518 -8.596 -4.758 1.00 0.00 C ATOM 1594 NH1 ARG A 102 16.786 -9.866 -4.488 1.00 0.00 N ATOM 1595 NH2 ARG A 102 17.359 -7.889 -5.503 1.00 0.00 N ATOM 0 H ARG A 102 12.135 -12.085 -5.841 1.00 0.00 H new ATOM 0 HA ARG A 102 10.642 -11.317 -3.458 1.00 0.00 H new ATOM 0 HB2 ARG A 102 12.244 -9.798 -2.619 1.00 0.00 H new ATOM 0 HB3 ARG A 102 13.139 -11.280 -2.890 1.00 0.00 H new ATOM 0 HG2 ARG A 102 14.256 -10.422 -4.778 1.00 0.00 H new ATOM 0 HG3 ARG A 102 13.057 -9.172 -5.047 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.780 -8.011 -2.977 1.00 0.00 H new ATOM 0 HD3 ARG A 102 14.954 -9.275 -2.665 1.00 0.00 H new ATOM 0 HE ARG A 102 15.237 -7.053 -4.511 1.00 0.00 H new ATOM 0 HH11 ARG A 102 16.143 -10.412 -3.916 1.00 0.00 H new ATOM 0 HH12 ARG A 102 17.636 -10.297 -4.853 1.00 0.00 H new ATOM 0 HH21 ARG A 102 17.157 -6.911 -5.713 1.00 0.00 H new ATOM 0 HH22 ARG A 102 18.208 -8.323 -5.866 1.00 0.00 H new ATOM 1609 N ILE A 103 10.311 -8.929 -4.567 1.00 0.00 N ATOM 1610 CA ILE A 103 9.744 -7.855 -5.374 1.00 0.00 C ATOM 1611 C ILE A 103 10.525 -6.559 -5.191 1.00 0.00 C ATOM 1612 O ILE A 103 10.986 -6.249 -4.092 1.00 0.00 O ATOM 1613 CB ILE A 103 8.266 -7.605 -5.019 1.00 0.00 C ATOM 1614 CG1 ILE A 103 7.523 -8.934 -4.868 1.00 0.00 C ATOM 1615 CG2 ILE A 103 7.605 -6.741 -6.082 1.00 0.00 C ATOM 1616 CD1 ILE A 103 6.190 -8.805 -4.165 1.00 0.00 C ATOM 0 H ILE A 103 10.238 -8.784 -3.560 1.00 0.00 H new ATOM 0 HA ILE A 103 9.811 -8.173 -6.415 1.00 0.00 H new ATOM 0 HB ILE A 103 8.221 -7.075 -4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 103 7.363 -9.366 -5.856 1.00 0.00 H new ATOM 0 HG13 ILE A 103 8.151 -9.631 -4.313 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.561 -6.573 -5.817 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.122 -5.783 -6.146 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.658 -7.246 -7.046 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.720 -9.786 -4.094 1.00 0.00 H new ATOM 0 HD12 ILE A 103 6.344 -8.403 -3.164 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.544 -8.133 -4.730 1.00 0.00 H new ATOM 1628 N ASP A 104 10.669 -5.804 -6.275 1.00 0.00 N ATOM 1629 CA ASP A 104 11.392 -4.538 -6.234 1.00 0.00 C ATOM 1630 C ASP A 104 10.458 -3.369 -6.531 1.00 0.00 C ATOM 1631 O ASP A 104 9.693 -3.402 -7.495 1.00 0.00 O ATOM 1632 CB ASP A 104 12.545 -4.553 -7.239 1.00 0.00 C ATOM 1633 CG ASP A 104 13.696 -3.663 -6.812 1.00 0.00 C ATOM 1634 OD1 ASP A 104 13.631 -2.443 -7.074 1.00 0.00 O ATOM 1635 OD2 ASP A 104 14.660 -4.186 -6.216 1.00 0.00 O ATOM 0 H ASP A 104 10.295 -6.047 -7.192 1.00 0.00 H new ATOM 0 HA ASP A 104 11.796 -4.411 -5.230 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.905 -5.575 -7.360 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.179 -4.227 -8.213 1.00 0.00 H new ATOM 1640 N ILE A 105 10.525 -2.338 -5.696 1.00 0.00 N ATOM 1641 CA ILE A 105 9.686 -1.159 -5.869 1.00 0.00 C ATOM 1642 C ILE A 105 10.477 0.121 -5.619 1.00 0.00 C ATOM 1643 O ILE A 105 10.869 0.410 -4.488 1.00 0.00 O ATOM 1644 CB ILE A 105 8.470 -1.190 -4.924 1.00 0.00 C ATOM 1645 CG1 ILE A 105 7.587 -2.400 -5.234 1.00 0.00 C ATOM 1646 CG2 ILE A 105 7.673 0.100 -5.045 1.00 0.00 C ATOM 1647 CD1 ILE A 105 6.831 -2.920 -4.031 1.00 0.00 C ATOM 0 H ILE A 105 11.152 -2.295 -4.893 1.00 0.00 H new ATOM 0 HA ILE A 105 9.335 -1.171 -6.901 1.00 0.00 H new ATOM 0 HB ILE A 105 8.827 -1.278 -3.898 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.873 -2.129 -6.012 1.00 0.00 H new ATOM 0 HG13 ILE A 105 8.209 -3.200 -5.636 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.817 0.063 -4.371 1.00 0.00 H new ATOM 0 HG22 ILE A 105 8.307 0.946 -4.780 1.00 0.00 H new ATOM 0 HG23 ILE A 105 7.323 0.217 -6.071 1.00 0.00 H new ATOM 0 HD11 ILE A 105 6.226 -3.778 -4.324 1.00 0.00 H new ATOM 0 HD12 ILE A 105 7.539 -3.222 -3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.183 -2.135 -3.641 1.00 0.00 H new ATOM 1659 N CYS A 106 10.707 0.884 -6.682 1.00 0.00 N ATOM 1660 CA CYS A 106 11.451 2.135 -6.579 1.00 0.00 C ATOM 1661 C CYS A 106 10.517 3.298 -6.263 1.00 0.00 C ATOM 1662 O CYS A 106 9.576 3.574 -7.009 1.00 0.00 O ATOM 1663 CB CYS A 106 12.208 2.411 -7.878 1.00 0.00 C ATOM 1664 SG CYS A 106 13.728 3.364 -7.659 1.00 0.00 S ATOM 0 H CYS A 106 10.389 0.659 -7.625 1.00 0.00 H new ATOM 0 HA CYS A 106 12.168 2.037 -5.764 1.00 0.00 H new ATOM 0 HB2 CYS A 106 12.453 1.461 -8.352 1.00 0.00 H new ATOM 0 HB3 CYS A 106 11.551 2.948 -8.562 1.00 0.00 H new ATOM 0 HG CYS A 106 14.298 3.544 -8.814 1.00 0.00 H new ATOM 1670 N LEU A 107 10.781 3.977 -5.152 1.00 0.00 N ATOM 1671 CA LEU A 107 9.963 5.111 -4.736 1.00 0.00 C ATOM 1672 C LEU A 107 10.742 6.417 -4.853 1.00 0.00 C ATOM 1673 O LEU A 107 11.849 6.540 -4.328 1.00 0.00 O ATOM 1674 CB LEU A 107 9.483 4.918 -3.296 1.00 0.00 C ATOM 1675 CG LEU A 107 8.364 3.896 -3.093 1.00 0.00 C ATOM 1676 CD1 LEU A 107 8.422 3.311 -1.690 1.00 0.00 C ATOM 1677 CD2 LEU A 107 7.006 4.533 -3.351 1.00 0.00 C ATOM 0 H LEU A 107 11.555 3.762 -4.523 1.00 0.00 H new ATOM 0 HA LEU A 107 9.098 5.165 -5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 107 10.336 4.619 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.142 5.881 -2.916 1.00 0.00 H new ATOM 0 HG LEU A 107 8.505 3.086 -3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 107 7.618 2.586 -1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 107 9.382 2.817 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 107 8.307 4.110 -0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 107 6.222 3.791 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.856 5.363 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.966 4.902 -4.376 1.00 0.00 H new ATOM 1689 N ARG A 108 10.156 7.390 -5.543 1.00 0.00 N ATOM 1690 CA ARG A 108 10.795 8.687 -5.728 1.00 0.00 C ATOM 1691 C ARG A 108 10.210 9.723 -4.772 1.00 0.00 C ATOM 1692 O ARG A 108 9.099 10.213 -4.974 1.00 0.00 O ATOM 1693 CB ARG A 108 10.628 9.160 -7.173 1.00 0.00 C ATOM 1694 CG ARG A 108 11.016 10.614 -7.386 1.00 0.00 C ATOM 1695 CD ARG A 108 12.476 10.858 -7.040 1.00 0.00 C ATOM 1696 NE ARG A 108 13.369 10.470 -8.129 1.00 0.00 N ATOM 1697 CZ ARG A 108 13.483 11.152 -9.264 1.00 0.00 C ATOM 1698 NH1 ARG A 108 12.766 12.250 -9.456 1.00 0.00 N ATOM 1699 NH2 ARG A 108 14.317 10.736 -10.208 1.00 0.00 N ATOM 0 H ARG A 108 9.240 7.305 -5.983 1.00 0.00 H new ATOM 0 HA ARG A 108 11.857 8.575 -5.510 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.235 8.531 -7.825 1.00 0.00 H new ATOM 0 HB3 ARG A 108 9.590 9.022 -7.474 1.00 0.00 H new ATOM 0 HG2 ARG A 108 10.836 10.891 -8.425 1.00 0.00 H new ATOM 0 HG3 ARG A 108 10.383 11.254 -6.771 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.622 11.913 -6.810 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.734 10.297 -6.142 1.00 0.00 H new ATOM 0 HE ARG A 108 13.936 9.630 -8.012 1.00 0.00 H new ATOM 0 HH11 ARG A 108 12.125 12.574 -8.732 1.00 0.00 H new ATOM 0 HH12 ARG A 108 12.855 12.772 -10.328 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.871 9.892 -10.063 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.404 11.260 -11.079 1.00 0.00 H new ATOM 1713 N LYS A 109 10.965 10.050 -3.729 1.00 0.00 N ATOM 1714 CA LYS A 109 10.524 11.028 -2.741 1.00 0.00 C ATOM 1715 C LYS A 109 10.622 12.445 -3.296 1.00 0.00 C ATOM 1716 O LYS A 109 11.552 12.769 -4.035 1.00 0.00 O ATOM 1717 CB LYS A 109 11.362 10.908 -1.466 1.00 0.00 C ATOM 1718 CG LYS A 109 11.494 9.484 -0.955 1.00 0.00 C ATOM 1719 CD LYS A 109 12.659 9.343 0.009 1.00 0.00 C ATOM 1720 CE LYS A 109 12.783 10.558 0.915 1.00 0.00 C ATOM 1721 NZ LYS A 109 13.905 10.416 1.884 1.00 0.00 N ATOM 0 H LYS A 109 11.886 9.652 -3.546 1.00 0.00 H new ATOM 0 HA LYS A 109 9.480 10.822 -2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.357 11.310 -1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 109 10.913 11.524 -0.687 1.00 0.00 H new ATOM 0 HG2 LYS A 109 10.571 9.188 -0.457 1.00 0.00 H new ATOM 0 HG3 LYS A 109 11.633 8.806 -1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 109 12.524 8.448 0.616 1.00 0.00 H new ATOM 0 HD3 LYS A 109 13.584 9.211 -0.553 1.00 0.00 H new ATOM 0 HE2 LYS A 109 12.939 11.449 0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 109 11.850 10.702 1.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 13.956 11.265 2.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 13.744 9.580 2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 14.800 10.304 1.365 1.00 0.00 H new