USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 444 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 Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 13:sc= -0.212 USER MOD Single : A 17 LYS NZ :NH3+ -122:sc= -0.524 (180deg=-2.54!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 40:sc= 0.0522 USER MOD Single : A 22 TYR OH : rot 106:sc= 0.2 USER MOD Single : A 23 LYS NZ :NH3+ -137:sc= -0.484 (180deg=-1.87!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0394 K(o=-0.039,f=-1.6!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.641 USER MOD Single : A 35 HIS : no HD1:sc= -4.92! C(o=-4.9!,f=-5!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -7.58! C(o=-7.6!,f=-19!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.0416 K(o=-0.042,f=-1.6!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0486 K(o=-0.049,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 137 N TYR A 12 4.287 -1.229 -11.185 1.00 0.00 N ATOM 138 CA TYR A 12 4.912 -0.497 -10.090 1.00 0.00 C ATOM 139 C TYR A 12 6.020 0.416 -10.607 1.00 0.00 C ATOM 140 O TYR A 12 6.657 0.146 -11.625 1.00 0.00 O ATOM 141 CB TYR A 12 5.479 -1.471 -9.056 1.00 0.00 C ATOM 142 CG TYR A 12 4.514 -2.566 -8.663 1.00 0.00 C ATOM 143 CD1 TYR A 12 3.177 -2.285 -8.413 1.00 0.00 C ATOM 144 CD2 TYR A 12 4.940 -3.884 -8.542 1.00 0.00 C ATOM 145 CE1 TYR A 12 2.292 -3.283 -8.053 1.00 0.00 C ATOM 146 CE2 TYR A 12 4.061 -4.888 -8.184 1.00 0.00 C ATOM 147 CZ TYR A 12 2.739 -4.583 -7.940 1.00 0.00 C ATOM 148 OH TYR A 12 1.860 -5.580 -7.583 1.00 0.00 O ATOM 0 HA TYR A 12 4.149 0.121 -9.617 1.00 0.00 H new ATOM 0 HB2 TYR A 12 6.386 -1.924 -9.455 1.00 0.00 H new ATOM 0 HB3 TYR A 12 5.766 -0.914 -8.164 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.823 -1.269 -8.502 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.975 -4.127 -8.731 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.256 -3.047 -7.861 1.00 0.00 H new ATOM 0 HE2 TYR A 12 4.408 -5.907 -8.096 1.00 0.00 H new ATOM 0 HH TYR A 12 2.334 -6.437 -7.549 1.00 0.00 H new ATOM 158 N PRO A 13 6.255 1.523 -9.888 1.00 0.00 N ATOM 159 CA PRO A 13 5.502 1.855 -8.675 1.00 0.00 C ATOM 160 C PRO A 13 4.058 2.240 -8.977 1.00 0.00 C ATOM 161 O PRO A 13 3.696 2.479 -10.129 1.00 0.00 O ATOM 162 CB PRO A 13 6.266 3.051 -8.100 1.00 0.00 C ATOM 163 CG PRO A 13 6.940 3.670 -9.275 1.00 0.00 C ATOM 164 CD PRO A 13 7.275 2.538 -10.205 1.00 0.00 C ATOM 0 HA PRO A 13 5.433 1.008 -7.993 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.591 3.756 -7.614 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.990 2.734 -7.349 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.287 4.395 -9.762 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.840 4.205 -8.971 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.224 2.847 -11.249 1.00 0.00 H new ATOM 0 HD3 PRO A 13 8.283 2.162 -10.033 1.00 0.00 H new ATOM 172 N LEU A 14 3.237 2.300 -7.934 1.00 0.00 N ATOM 173 CA LEU A 14 1.831 2.657 -8.087 1.00 0.00 C ATOM 174 C LEU A 14 1.334 3.443 -6.878 1.00 0.00 C ATOM 175 O LEU A 14 1.269 2.918 -5.766 1.00 0.00 O ATOM 176 CB LEU A 14 0.982 1.398 -8.276 1.00 0.00 C ATOM 177 CG LEU A 14 1.092 0.712 -9.638 1.00 0.00 C ATOM 178 CD1 LEU A 14 0.421 -0.652 -9.604 1.00 0.00 C ATOM 179 CD2 LEU A 14 0.480 1.583 -10.725 1.00 0.00 C ATOM 0 H LEU A 14 3.521 2.106 -6.974 1.00 0.00 H new ATOM 0 HA LEU A 14 1.736 3.288 -8.971 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.259 0.678 -7.506 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.063 1.660 -8.107 1.00 0.00 H new ATOM 0 HG LEU A 14 2.148 0.569 -9.867 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.509 -1.125 -10.582 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.905 -1.277 -8.853 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.633 -0.533 -9.352 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.567 1.079 -11.687 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.572 1.758 -10.501 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.006 2.537 -10.766 1.00 0.00 H new ATOM 191 N THR A 15 0.981 4.705 -7.103 1.00 0.00 N ATOM 192 CA THR A 15 0.488 5.563 -6.034 1.00 0.00 C ATOM 193 C THR A 15 -0.949 5.213 -5.666 1.00 0.00 C ATOM 194 O THR A 15 -1.857 5.330 -6.490 1.00 0.00 O ATOM 195 CB THR A 15 0.557 7.050 -6.430 1.00 0.00 C ATOM 196 OG1 THR A 15 1.821 7.337 -7.038 1.00 0.00 O ATOM 197 CG2 THR A 15 0.360 7.944 -5.214 1.00 0.00 C ATOM 0 H THR A 15 1.028 5.155 -8.017 1.00 0.00 H new ATOM 0 HA THR A 15 1.132 5.394 -5.171 1.00 0.00 H new ATOM 0 HB THR A 15 -0.243 7.250 -7.143 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.856 8.284 -7.288 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.413 8.989 -5.518 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.615 7.744 -4.770 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.141 7.740 -4.482 1.00 0.00 H new ATOM 205 N CYS A 16 -1.150 4.785 -4.424 1.00 0.00 N ATOM 206 CA CYS A 16 -2.478 4.418 -3.947 1.00 0.00 C ATOM 207 C CYS A 16 -3.007 5.454 -2.961 1.00 0.00 C ATOM 208 O CYS A 16 -2.324 6.427 -2.640 1.00 0.00 O ATOM 209 CB CYS A 16 -2.443 3.038 -3.288 1.00 0.00 C ATOM 210 SG CYS A 16 -1.059 2.800 -2.149 1.00 0.00 S ATOM 0 H CYS A 16 -0.410 4.684 -3.730 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.149 4.385 -4.805 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.376 2.882 -2.747 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.394 2.276 -4.066 1.00 0.00 H new ATOM 0 HG CYS A 16 -0.502 3.947 -1.897 1.00 0.00 H new ATOM 216 N LYS A 17 -4.228 5.239 -2.483 1.00 0.00 N ATOM 217 CA LYS A 17 -4.851 6.153 -1.533 1.00 0.00 C ATOM 218 C LYS A 17 -5.525 5.385 -0.401 1.00 0.00 C ATOM 219 O LYS A 17 -6.552 4.736 -0.603 1.00 0.00 O ATOM 220 CB LYS A 17 -5.876 7.040 -2.243 1.00 0.00 C ATOM 221 CG LYS A 17 -6.610 7.987 -1.311 1.00 0.00 C ATOM 222 CD LYS A 17 -5.884 9.316 -1.181 1.00 0.00 C ATOM 223 CE LYS A 17 -6.852 10.456 -0.906 1.00 0.00 C ATOM 224 NZ LYS A 17 -7.451 10.360 0.454 1.00 0.00 N ATOM 0 H LYS A 17 -4.806 4.439 -2.738 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.069 6.782 -1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.369 7.622 -3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.604 6.406 -2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.619 8.158 -1.685 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.708 7.527 -0.328 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.153 9.255 -0.374 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.331 9.520 -2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.330 11.408 -1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.645 10.447 -1.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.487 10.315 0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.102 9.502 0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.183 11.196 1.011 1.00 0.00 H new ATOM 238 N VAL A 18 -4.942 5.463 0.791 1.00 0.00 N ATOM 239 CA VAL A 18 -5.488 4.778 1.956 1.00 0.00 C ATOM 240 C VAL A 18 -6.873 5.310 2.308 1.00 0.00 C ATOM 241 O VAL A 18 -7.019 6.451 2.745 1.00 0.00 O ATOM 242 CB VAL A 18 -4.566 4.929 3.180 1.00 0.00 C ATOM 243 CG1 VAL A 18 -5.209 4.312 4.413 1.00 0.00 C ATOM 244 CG2 VAL A 18 -3.208 4.300 2.905 1.00 0.00 C ATOM 0 H VAL A 18 -4.091 5.994 0.975 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.563 3.722 1.695 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.417 5.992 3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.543 4.428 5.268 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.155 4.813 4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.391 3.252 4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.569 4.416 3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.336 3.240 2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.745 4.793 2.050 1.00 0.00 H new ATOM 254 N VAL A 19 -7.889 4.474 2.114 1.00 0.00 N ATOM 255 CA VAL A 19 -9.263 4.860 2.412 1.00 0.00 C ATOM 256 C VAL A 19 -9.709 4.304 3.760 1.00 0.00 C ATOM 257 O VAL A 19 -10.598 4.858 4.408 1.00 0.00 O ATOM 258 CB VAL A 19 -10.233 4.369 1.321 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.221 5.318 0.131 1.00 0.00 C ATOM 260 CG2 VAL A 19 -9.877 2.955 0.889 1.00 0.00 C ATOM 0 H VAL A 19 -7.786 3.526 1.752 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.286 5.949 2.445 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.241 4.355 1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.912 4.956 -0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.527 6.312 0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.215 5.366 -0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.573 2.624 0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.862 2.940 0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.941 2.285 1.747 1.00 0.00 H new ATOM 270 N TYR A 20 -9.087 3.207 4.177 1.00 0.00 N ATOM 271 CA TYR A 20 -9.421 2.574 5.447 1.00 0.00 C ATOM 272 C TYR A 20 -8.230 2.603 6.400 1.00 0.00 C ATOM 273 O TYR A 20 -7.170 2.053 6.103 1.00 0.00 O ATOM 274 CB TYR A 20 -9.872 1.131 5.219 1.00 0.00 C ATOM 275 CG TYR A 20 -11.308 1.009 4.763 1.00 0.00 C ATOM 276 CD1 TYR A 20 -11.742 1.625 3.596 1.00 0.00 C ATOM 277 CD2 TYR A 20 -12.232 0.278 5.500 1.00 0.00 C ATOM 278 CE1 TYR A 20 -13.054 1.517 3.176 1.00 0.00 C ATOM 279 CE2 TYR A 20 -13.546 0.164 5.088 1.00 0.00 C ATOM 280 CZ TYR A 20 -13.952 0.785 3.925 1.00 0.00 C ATOM 281 OH TYR A 20 -15.259 0.675 3.510 1.00 0.00 O ATOM 0 H TYR A 20 -8.348 2.737 3.654 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.239 3.135 5.900 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.223 0.670 4.474 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -9.745 0.569 6.144 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -11.042 2.198 3.007 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -11.917 -0.210 6.411 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.375 2.003 2.266 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.251 -0.408 5.673 1.00 0.00 H new ATOM 0 HH TYR A 20 -15.760 0.125 4.148 1.00 0.00 H new ATOM 291 N SER A 21 -8.414 3.247 7.548 1.00 0.00 N ATOM 292 CA SER A 21 -7.355 3.351 8.544 1.00 0.00 C ATOM 293 C SER A 21 -7.016 1.980 9.122 1.00 0.00 C ATOM 294 O SER A 21 -7.898 1.248 9.571 1.00 0.00 O ATOM 295 CB SER A 21 -7.774 4.301 9.668 1.00 0.00 C ATOM 296 OG SER A 21 -8.940 3.832 10.323 1.00 0.00 O ATOM 0 H SER A 21 -9.287 3.705 7.811 1.00 0.00 H new ATOM 0 HA SER A 21 -6.467 3.749 8.053 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.962 4.397 10.389 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.957 5.295 9.259 1.00 0.00 H new ATOM 0 HG SER A 21 -8.890 2.858 10.424 1.00 0.00 H new ATOM 302 N TYR A 22 -5.732 1.640 9.106 1.00 0.00 N ATOM 303 CA TYR A 22 -5.275 0.357 9.626 1.00 0.00 C ATOM 304 C TYR A 22 -4.126 0.546 10.611 1.00 0.00 C ATOM 305 O TYR A 22 -3.027 0.951 10.232 1.00 0.00 O ATOM 306 CB TYR A 22 -4.833 -0.553 8.478 1.00 0.00 C ATOM 307 CG TYR A 22 -4.165 -1.829 8.940 1.00 0.00 C ATOM 308 CD1 TYR A 22 -4.859 -2.767 9.694 1.00 0.00 C ATOM 309 CD2 TYR A 22 -2.839 -2.096 8.621 1.00 0.00 C ATOM 310 CE1 TYR A 22 -4.252 -3.933 10.118 1.00 0.00 C ATOM 311 CE2 TYR A 22 -2.225 -3.260 9.040 1.00 0.00 C ATOM 312 CZ TYR A 22 -2.935 -4.175 9.789 1.00 0.00 C ATOM 313 OH TYR A 22 -2.327 -5.336 10.208 1.00 0.00 O ATOM 0 H TYR A 22 -4.989 2.235 8.739 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.107 -0.110 10.153 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.702 -0.807 7.871 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.145 -0.005 7.835 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.891 -2.581 9.953 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.279 -1.381 8.036 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -4.806 -4.651 10.704 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.194 -3.453 8.782 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.222 -5.944 9.446 1.00 0.00 H new ATOM 323 N LYS A 23 -4.388 0.248 11.879 1.00 0.00 N ATOM 324 CA LYS A 23 -3.377 0.382 12.922 1.00 0.00 C ATOM 325 C LYS A 23 -2.463 -0.838 12.953 1.00 0.00 C ATOM 326 O LYS A 23 -2.816 -1.877 13.511 1.00 0.00 O ATOM 327 CB LYS A 23 -4.044 0.567 14.287 1.00 0.00 C ATOM 328 CG LYS A 23 -3.072 0.507 15.452 1.00 0.00 C ATOM 329 CD LYS A 23 -2.503 1.879 15.775 1.00 0.00 C ATOM 330 CE LYS A 23 -3.439 2.673 16.673 1.00 0.00 C ATOM 331 NZ LYS A 23 -4.441 3.444 15.887 1.00 0.00 N ATOM 0 H LYS A 23 -5.292 -0.088 12.210 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.773 1.261 12.697 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.559 1.528 14.303 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.803 -0.204 14.418 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.579 0.107 16.330 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.259 -0.178 15.213 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.536 1.767 16.265 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.330 2.429 14.850 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.955 1.993 17.351 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.857 3.358 17.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.537 4.399 16.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.127 3.514 14.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.360 2.958 15.925 1.00 0.00 H new ATOM 345 N ALA A 24 -1.285 -0.705 12.352 1.00 0.00 N ATOM 346 CA ALA A 24 -0.318 -1.795 12.314 1.00 0.00 C ATOM 347 C ALA A 24 -0.107 -2.390 13.702 1.00 0.00 C ATOM 348 O ALA A 24 0.304 -1.693 14.630 1.00 0.00 O ATOM 349 CB ALA A 24 1.004 -1.308 11.739 1.00 0.00 C ATOM 0 H ALA A 24 -0.977 0.148 11.884 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.715 -2.578 11.668 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.717 -2.132 11.717 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.846 -0.937 10.726 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.398 -0.505 12.362 1.00 0.00 H new ATOM 355 N SER A 25 -0.391 -3.681 13.837 1.00 0.00 N ATOM 356 CA SER A 25 -0.237 -4.368 15.114 1.00 0.00 C ATOM 357 C SER A 25 1.171 -4.938 15.257 1.00 0.00 C ATOM 358 O SER A 25 1.743 -4.939 16.347 1.00 0.00 O ATOM 359 CB SER A 25 -1.269 -5.491 15.241 1.00 0.00 C ATOM 360 OG SER A 25 -2.573 -4.967 15.417 1.00 0.00 O ATOM 0 H SER A 25 -0.729 -4.273 13.078 1.00 0.00 H new ATOM 0 HA SER A 25 -0.400 -3.643 15.911 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.242 -6.116 14.349 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.013 -6.130 16.086 1.00 0.00 H new ATOM 0 HG SER A 25 -3.214 -5.704 15.494 1.00 0.00 H new ATOM 366 N GLN A 26 1.723 -5.421 14.149 1.00 0.00 N ATOM 367 CA GLN A 26 3.064 -5.994 14.150 1.00 0.00 C ATOM 368 C GLN A 26 4.096 -4.965 13.701 1.00 0.00 C ATOM 369 O GLN A 26 3.806 -4.059 12.920 1.00 0.00 O ATOM 370 CB GLN A 26 3.118 -7.221 13.238 1.00 0.00 C ATOM 371 CG GLN A 26 2.779 -8.522 13.947 1.00 0.00 C ATOM 372 CD GLN A 26 3.195 -9.745 13.154 1.00 0.00 C ATOM 373 OE1 GLN A 26 4.053 -9.666 12.275 1.00 0.00 O ATOM 374 NE2 GLN A 26 2.587 -10.885 13.460 1.00 0.00 N ATOM 0 H GLN A 26 1.262 -5.427 13.239 1.00 0.00 H new ATOM 0 HA GLN A 26 3.301 -6.298 15.170 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.425 -7.078 12.409 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.117 -7.301 12.809 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.271 -8.540 14.920 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.706 -8.561 14.132 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.881 -10.905 14.196 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.826 -11.741 12.959 1.00 0.00 H new ATOM 383 N PRO A 27 5.331 -5.107 14.205 1.00 0.00 N ATOM 384 CA PRO A 27 6.432 -4.199 13.869 1.00 0.00 C ATOM 385 C PRO A 27 6.896 -4.360 12.425 1.00 0.00 C ATOM 386 O PRO A 27 7.674 -3.550 11.919 1.00 0.00 O ATOM 387 CB PRO A 27 7.543 -4.614 14.837 1.00 0.00 C ATOM 388 CG PRO A 27 7.247 -6.037 15.165 1.00 0.00 C ATOM 389 CD PRO A 27 5.749 -6.164 15.140 1.00 0.00 C ATOM 0 HA PRO A 27 6.139 -3.153 13.959 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.527 -4.510 14.379 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.541 -3.992 15.732 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.708 -6.709 14.441 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.645 -6.303 16.144 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.435 -7.150 14.798 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.317 -6.018 16.130 1.00 0.00 H new ATOM 397 N ASP A 28 6.414 -5.408 11.767 1.00 0.00 N ATOM 398 CA ASP A 28 6.779 -5.674 10.380 1.00 0.00 C ATOM 399 C ASP A 28 5.790 -5.017 9.423 1.00 0.00 C ATOM 400 O ASP A 28 6.093 -4.813 8.248 1.00 0.00 O ATOM 401 CB ASP A 28 6.831 -7.181 10.125 1.00 0.00 C ATOM 402 CG ASP A 28 7.952 -7.860 10.887 1.00 0.00 C ATOM 403 OD1 ASP A 28 7.898 -7.872 12.134 1.00 0.00 O ATOM 404 OD2 ASP A 28 8.883 -8.378 10.236 1.00 0.00 O ATOM 0 H ASP A 28 5.770 -6.087 12.171 1.00 0.00 H new ATOM 0 HA ASP A 28 7.767 -5.249 10.201 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.879 -7.628 10.411 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.960 -7.362 9.058 1.00 0.00 H new ATOM 409 N GLU A 29 4.608 -4.689 9.934 1.00 0.00 N ATOM 410 CA GLU A 29 3.574 -4.056 9.123 1.00 0.00 C ATOM 411 C GLU A 29 3.840 -2.561 8.973 1.00 0.00 C ATOM 412 O GLU A 29 4.858 -2.050 9.440 1.00 0.00 O ATOM 413 CB GLU A 29 2.196 -4.281 9.748 1.00 0.00 C ATOM 414 CG GLU A 29 1.677 -5.699 9.584 1.00 0.00 C ATOM 415 CD GLU A 29 2.140 -6.344 8.292 1.00 0.00 C ATOM 416 OE1 GLU A 29 3.332 -6.708 8.204 1.00 0.00 O ATOM 417 OE2 GLU A 29 1.311 -6.486 7.369 1.00 0.00 O ATOM 0 H GLU A 29 4.342 -4.851 10.905 1.00 0.00 H new ATOM 0 HA GLU A 29 3.594 -4.512 8.133 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.245 -4.042 10.810 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.485 -3.589 9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.010 -6.304 10.427 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.587 -5.688 9.610 1.00 0.00 H new ATOM 424 N LEU A 30 2.917 -1.866 8.317 1.00 0.00 N ATOM 425 CA LEU A 30 3.050 -0.429 8.104 1.00 0.00 C ATOM 426 C LEU A 30 1.814 0.313 8.604 1.00 0.00 C ATOM 427 O LEU A 30 0.712 0.123 8.089 1.00 0.00 O ATOM 428 CB LEU A 30 3.272 -0.132 6.620 1.00 0.00 C ATOM 429 CG LEU A 30 4.103 1.112 6.301 1.00 0.00 C ATOM 430 CD1 LEU A 30 3.439 2.357 6.867 1.00 0.00 C ATOM 431 CD2 LEU A 30 5.516 0.963 6.848 1.00 0.00 C ATOM 0 H LEU A 30 2.069 -2.274 7.924 1.00 0.00 H new ATOM 0 HA LEU A 30 3.913 -0.081 8.671 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.758 -0.995 6.166 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.298 -0.026 6.142 1.00 0.00 H new ATOM 0 HG LEU A 30 4.163 1.218 5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.044 3.232 6.630 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.448 2.472 6.428 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.348 2.261 7.949 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.094 1.857 6.612 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.476 0.832 7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.992 0.093 6.395 1.00 0.00 H new ATOM 443 N THR A 31 2.005 1.161 9.610 1.00 0.00 N ATOM 444 CA THR A 31 0.907 1.932 10.179 1.00 0.00 C ATOM 445 C THR A 31 0.390 2.966 9.186 1.00 0.00 C ATOM 446 O THR A 31 1.097 3.912 8.835 1.00 0.00 O ATOM 447 CB THR A 31 1.335 2.648 11.473 1.00 0.00 C ATOM 448 OG1 THR A 31 1.977 1.722 12.357 1.00 0.00 O ATOM 449 CG2 THR A 31 0.135 3.272 12.169 1.00 0.00 C ATOM 0 H THR A 31 2.911 1.331 10.047 1.00 0.00 H new ATOM 0 HA THR A 31 0.111 1.225 10.411 1.00 0.00 H new ATOM 0 HB THR A 31 2.034 3.441 11.208 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.247 2.186 13.177 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.462 3.772 13.081 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.334 3.998 11.505 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.585 2.493 12.421 1.00 0.00 H new ATOM 457 N ILE A 32 -0.847 2.782 8.737 1.00 0.00 N ATOM 458 CA ILE A 32 -1.459 3.701 7.785 1.00 0.00 C ATOM 459 C ILE A 32 -2.714 4.341 8.369 1.00 0.00 C ATOM 460 O ILE A 32 -3.327 3.801 9.289 1.00 0.00 O ATOM 461 CB ILE A 32 -1.824 2.989 6.470 1.00 0.00 C ATOM 462 CG1 ILE A 32 -2.864 1.896 6.727 1.00 0.00 C ATOM 463 CG2 ILE A 32 -0.579 2.400 5.823 1.00 0.00 C ATOM 464 CD1 ILE A 32 -3.295 1.165 5.475 1.00 0.00 C ATOM 0 H ILE A 32 -1.445 2.005 9.017 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.722 4.476 7.576 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.254 3.721 5.786 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.455 1.176 7.436 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.740 2.343 7.197 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.854 1.900 4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.132 3.198 5.609 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.122 1.680 6.502 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.033 0.405 5.733 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.734 1.874 4.773 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.429 0.689 5.015 1.00 0.00 H new ATOM 476 N GLU A 33 -3.090 5.495 7.826 1.00 0.00 N ATOM 477 CA GLU A 33 -4.273 6.208 8.293 1.00 0.00 C ATOM 478 C GLU A 33 -4.997 6.880 7.131 1.00 0.00 C ATOM 479 O GLU A 33 -4.367 7.385 6.202 1.00 0.00 O ATOM 480 CB GLU A 33 -3.885 7.255 9.340 1.00 0.00 C ATOM 481 CG GLU A 33 -3.913 6.729 10.766 1.00 0.00 C ATOM 482 CD GLU A 33 -5.265 6.911 11.427 1.00 0.00 C ATOM 483 OE1 GLU A 33 -5.992 7.852 11.044 1.00 0.00 O ATOM 484 OE2 GLU A 33 -5.597 6.112 12.328 1.00 0.00 O ATOM 0 H GLU A 33 -2.593 5.955 7.063 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.947 5.482 8.748 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.884 7.625 9.118 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.564 8.104 9.261 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.653 5.670 10.764 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.153 7.243 11.354 1.00 0.00 H new ATOM 491 N GLU A 34 -6.325 6.882 7.190 1.00 0.00 N ATOM 492 CA GLU A 34 -7.135 7.490 6.141 1.00 0.00 C ATOM 493 C GLU A 34 -6.500 8.786 5.645 1.00 0.00 C ATOM 494 O GLU A 34 -5.910 9.538 6.422 1.00 0.00 O ATOM 495 CB GLU A 34 -8.550 7.767 6.654 1.00 0.00 C ATOM 496 CG GLU A 34 -9.513 8.220 5.570 1.00 0.00 C ATOM 497 CD GLU A 34 -10.861 8.639 6.124 1.00 0.00 C ATOM 498 OE1 GLU A 34 -11.205 8.199 7.241 1.00 0.00 O ATOM 499 OE2 GLU A 34 -11.571 9.407 5.443 1.00 0.00 O ATOM 0 H GLU A 34 -6.862 6.470 7.953 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.189 6.789 5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.941 6.863 7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.503 8.532 7.429 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.073 9.055 5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.655 7.411 4.854 1.00 0.00 H new ATOM 506 N HIS A 35 -6.625 9.041 4.347 1.00 0.00 N ATOM 507 CA HIS A 35 -6.063 10.246 3.747 1.00 0.00 C ATOM 508 C HIS A 35 -4.538 10.188 3.739 1.00 0.00 C ATOM 509 O HIS A 35 -3.870 11.183 4.020 1.00 0.00 O ATOM 510 CB HIS A 35 -6.534 11.486 4.505 1.00 0.00 C ATOM 511 CG HIS A 35 -8.004 11.491 4.791 1.00 0.00 C ATOM 512 ND1 HIS A 35 -8.957 11.197 3.839 1.00 0.00 N ATOM 513 CD2 HIS A 35 -8.684 11.754 5.932 1.00 0.00 C ATOM 514 CE1 HIS A 35 -10.159 11.281 4.381 1.00 0.00 C ATOM 515 NE2 HIS A 35 -10.021 11.617 5.651 1.00 0.00 N ATOM 0 H HIS A 35 -7.110 8.430 3.690 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.412 10.306 2.716 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.989 11.555 5.446 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.282 12.374 3.925 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.254 12.022 6.886 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.095 11.105 3.872 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.783 11.753 6.315 1.00 0.00 H new ATOM 524 N GLU A 36 -3.996 9.018 3.416 1.00 0.00 N ATOM 525 CA GLU A 36 -2.550 8.832 3.374 1.00 0.00 C ATOM 526 C GLU A 36 -2.119 8.220 2.044 1.00 0.00 C ATOM 527 O GLU A 36 -2.238 7.013 1.836 1.00 0.00 O ATOM 528 CB GLU A 36 -2.095 7.940 4.530 1.00 0.00 C ATOM 529 CG GLU A 36 -0.588 7.760 4.602 1.00 0.00 C ATOM 530 CD GLU A 36 -0.169 6.765 5.668 1.00 0.00 C ATOM 531 OE1 GLU A 36 -0.672 6.867 6.806 1.00 0.00 O ATOM 532 OE2 GLU A 36 0.661 5.884 5.362 1.00 0.00 O ATOM 0 H GLU A 36 -4.536 8.185 3.180 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.080 9.810 3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.447 8.368 5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.565 6.962 4.430 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.219 7.425 3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.120 8.723 4.805 1.00 0.00 H new ATOM 539 N VAL A 37 -1.618 9.063 1.147 1.00 0.00 N ATOM 540 CA VAL A 37 -1.168 8.606 -0.163 1.00 0.00 C ATOM 541 C VAL A 37 0.190 7.919 -0.069 1.00 0.00 C ATOM 542 O VAL A 37 1.186 8.537 0.310 1.00 0.00 O ATOM 543 CB VAL A 37 -1.072 9.775 -1.162 1.00 0.00 C ATOM 544 CG1 VAL A 37 -0.585 9.281 -2.516 1.00 0.00 C ATOM 545 CG2 VAL A 37 -2.416 10.475 -1.293 1.00 0.00 C ATOM 0 H VAL A 37 -1.513 10.066 1.303 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.909 7.891 -0.521 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.348 10.496 -0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.523 10.120 -3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.401 8.829 -2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.283 8.540 -2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.330 11.298 -2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.163 9.765 -1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.720 10.864 -0.321 1.00 0.00 H new ATOM 555 N LEU A 38 0.223 6.638 -0.417 1.00 0.00 N ATOM 556 CA LEU A 38 1.460 5.865 -0.372 1.00 0.00 C ATOM 557 C LEU A 38 1.920 5.493 -1.778 1.00 0.00 C ATOM 558 O LEU A 38 1.269 5.835 -2.765 1.00 0.00 O ATOM 559 CB LEU A 38 1.263 4.599 0.464 1.00 0.00 C ATOM 560 CG LEU A 38 0.575 4.788 1.816 1.00 0.00 C ATOM 561 CD1 LEU A 38 -0.157 3.519 2.224 1.00 0.00 C ATOM 562 CD2 LEU A 38 1.588 5.186 2.879 1.00 0.00 C ATOM 0 H LEU A 38 -0.592 6.112 -0.733 1.00 0.00 H new ATOM 0 HA LEU A 38 2.229 6.483 0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.680 3.888 -0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.239 4.146 0.636 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.156 5.591 1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.641 3.672 3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.911 3.277 1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.555 2.697 2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.080 5.316 3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.343 4.405 2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.067 6.122 2.592 1.00 0.00 H new ATOM 574 N GLU A 39 3.045 4.790 -1.860 1.00 0.00 N ATOM 575 CA GLU A 39 3.591 4.370 -3.146 1.00 0.00 C ATOM 576 C GLU A 39 3.910 2.878 -3.141 1.00 0.00 C ATOM 577 O GLU A 39 4.824 2.430 -2.448 1.00 0.00 O ATOM 578 CB GLU A 39 4.852 5.172 -3.475 1.00 0.00 C ATOM 579 CG GLU A 39 5.328 4.996 -4.908 1.00 0.00 C ATOM 580 CD GLU A 39 6.367 6.026 -5.308 1.00 0.00 C ATOM 581 OE1 GLU A 39 5.972 7.128 -5.743 1.00 0.00 O ATOM 582 OE2 GLU A 39 7.574 5.730 -5.186 1.00 0.00 O ATOM 0 H GLU A 39 3.596 4.499 -1.052 1.00 0.00 H new ATOM 0 HA GLU A 39 2.838 4.560 -3.911 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.658 6.229 -3.292 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.651 4.872 -2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.747 3.997 -5.028 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.474 5.066 -5.582 1.00 0.00 H new ATOM 589 N VAL A 40 3.151 2.114 -3.919 1.00 0.00 N ATOM 590 CA VAL A 40 3.352 0.672 -4.005 1.00 0.00 C ATOM 591 C VAL A 40 4.603 0.340 -4.812 1.00 0.00 C ATOM 592 O VAL A 40 4.622 0.486 -6.034 1.00 0.00 O ATOM 593 CB VAL A 40 2.139 -0.027 -4.647 1.00 0.00 C ATOM 594 CG1 VAL A 40 2.378 -1.525 -4.749 1.00 0.00 C ATOM 595 CG2 VAL A 40 0.875 0.267 -3.855 1.00 0.00 C ATOM 0 H VAL A 40 2.391 2.469 -4.499 1.00 0.00 H new ATOM 0 HA VAL A 40 3.473 0.307 -2.985 1.00 0.00 H new ATOM 0 HB VAL A 40 2.008 0.365 -5.656 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.510 -2.002 -5.205 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.259 -1.712 -5.363 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.536 -1.937 -3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.028 -0.235 -4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.993 -0.095 -2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.697 1.342 -3.840 1.00 0.00 H new ATOM 605 N ILE A 41 5.644 -0.109 -4.120 1.00 0.00 N ATOM 606 CA ILE A 41 6.898 -0.465 -4.773 1.00 0.00 C ATOM 607 C ILE A 41 6.971 -1.963 -5.045 1.00 0.00 C ATOM 608 O ILE A 41 7.397 -2.389 -6.118 1.00 0.00 O ATOM 609 CB ILE A 41 8.113 -0.050 -3.922 1.00 0.00 C ATOM 610 CG1 ILE A 41 8.016 -0.661 -2.522 1.00 0.00 C ATOM 611 CG2 ILE A 41 8.208 1.467 -3.838 1.00 0.00 C ATOM 612 CD1 ILE A 41 9.218 -0.369 -1.651 1.00 0.00 C ATOM 0 H ILE A 41 5.644 -0.235 -3.108 1.00 0.00 H new ATOM 0 HA ILE A 41 6.925 0.075 -5.719 1.00 0.00 H new ATOM 0 HB ILE A 41 9.018 -0.426 -4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.120 -0.282 -2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.897 -1.741 -2.613 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.071 1.745 -3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.319 1.881 -4.840 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.302 1.863 -3.380 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.081 -0.832 -0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.115 -0.773 -2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.326 0.709 -1.529 1.00 0.00 H new ATOM 624 N GLU A 42 6.551 -2.758 -4.066 1.00 0.00 N ATOM 625 CA GLU A 42 6.568 -4.210 -4.201 1.00 0.00 C ATOM 626 C GLU A 42 5.235 -4.813 -3.764 1.00 0.00 C ATOM 627 O GLU A 42 4.386 -4.124 -3.199 1.00 0.00 O ATOM 628 CB GLU A 42 7.707 -4.809 -3.373 1.00 0.00 C ATOM 629 CG GLU A 42 9.005 -4.963 -4.147 1.00 0.00 C ATOM 630 CD GLU A 42 9.019 -6.201 -5.023 1.00 0.00 C ATOM 631 OE1 GLU A 42 8.185 -6.281 -5.949 1.00 0.00 O ATOM 632 OE2 GLU A 42 9.863 -7.089 -4.782 1.00 0.00 O ATOM 0 H GLU A 42 6.195 -2.421 -3.171 1.00 0.00 H new ATOM 0 HA GLU A 42 6.728 -4.449 -5.252 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.885 -4.176 -2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.399 -5.785 -2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.160 -4.081 -4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.838 -5.009 -3.446 1.00 0.00 H new ATOM 639 N ASP A 43 5.061 -6.103 -4.030 1.00 0.00 N ATOM 640 CA ASP A 43 3.833 -6.799 -3.664 1.00 0.00 C ATOM 641 C ASP A 43 4.023 -7.596 -2.377 1.00 0.00 C ATOM 642 O ASP A 43 3.714 -8.785 -2.319 1.00 0.00 O ATOM 643 CB ASP A 43 3.394 -7.731 -4.794 1.00 0.00 C ATOM 644 CG ASP A 43 4.567 -8.409 -5.475 1.00 0.00 C ATOM 645 OD1 ASP A 43 5.535 -8.768 -4.772 1.00 0.00 O ATOM 646 OD2 ASP A 43 4.517 -8.580 -6.711 1.00 0.00 O ATOM 0 H ASP A 43 5.754 -6.687 -4.497 1.00 0.00 H new ATOM 0 HA ASP A 43 3.057 -6.052 -3.497 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.722 -8.490 -4.394 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.829 -7.161 -5.532 1.00 0.00 H new ATOM 651 N GLY A 44 4.535 -6.931 -1.345 1.00 0.00 N ATOM 652 CA GLY A 44 4.759 -7.593 -0.073 1.00 0.00 C ATOM 653 C GLY A 44 5.223 -9.027 -0.239 1.00 0.00 C ATOM 654 O GLY A 44 5.792 -9.387 -1.270 1.00 0.00 O ATOM 0 H GLY A 44 4.798 -5.946 -1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.504 -7.037 0.496 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.837 -7.578 0.508 1.00 0.00 H new ATOM 714 N TRP A 49 -1.361 -8.899 1.126 1.00 0.00 N ATOM 715 CA TRP A 49 -0.591 -7.760 1.615 1.00 0.00 C ATOM 716 C TRP A 49 0.486 -7.360 0.613 1.00 0.00 C ATOM 717 O TRP A 49 1.100 -8.214 -0.027 1.00 0.00 O ATOM 718 CB TRP A 49 0.048 -8.093 2.964 1.00 0.00 C ATOM 719 CG TRP A 49 -0.903 -8.727 3.932 1.00 0.00 C ATOM 720 CD1 TRP A 49 -1.495 -9.953 3.816 1.00 0.00 C ATOM 721 CD2 TRP A 49 -1.374 -8.167 5.163 1.00 0.00 C ATOM 722 NE1 TRP A 49 -2.306 -10.188 4.900 1.00 0.00 N ATOM 723 CE2 TRP A 49 -2.248 -9.109 5.741 1.00 0.00 C ATOM 724 CE3 TRP A 49 -1.142 -6.964 5.833 1.00 0.00 C ATOM 725 CZ2 TRP A 49 -2.889 -8.881 6.957 1.00 0.00 C ATOM 726 CZ3 TRP A 49 -1.778 -6.739 7.039 1.00 0.00 C ATOM 727 CH2 TRP A 49 -2.642 -7.694 7.591 1.00 0.00 C ATOM 0 HA TRP A 49 -1.273 -6.919 1.741 1.00 0.00 H new ATOM 0 HB2 TRP A 49 0.892 -8.764 2.802 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.447 -7.179 3.404 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.347 -10.637 2.993 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -2.861 -11.030 5.053 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -0.477 -6.222 5.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.557 -9.615 7.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -1.606 -5.811 7.565 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -3.123 -7.489 8.536 1.00 0.00 H new ATOM 738 N VAL A 50 0.711 -6.057 0.481 1.00 0.00 N ATOM 739 CA VAL A 50 1.716 -5.544 -0.443 1.00 0.00 C ATOM 740 C VAL A 50 2.781 -4.741 0.294 1.00 0.00 C ATOM 741 O VAL A 50 2.732 -4.597 1.516 1.00 0.00 O ATOM 742 CB VAL A 50 1.079 -4.657 -1.529 1.00 0.00 C ATOM 743 CG1 VAL A 50 0.194 -5.487 -2.446 1.00 0.00 C ATOM 744 CG2 VAL A 50 0.287 -3.524 -0.893 1.00 0.00 C ATOM 0 H VAL A 50 0.211 -5.337 1.002 1.00 0.00 H new ATOM 0 HA VAL A 50 2.181 -6.408 -0.917 1.00 0.00 H new ATOM 0 HB VAL A 50 1.876 -4.221 -2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.247 -4.843 -3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.793 -6.260 -2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.599 -5.954 -1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.156 -2.907 -1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.502 -3.939 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.952 -2.914 -0.282 1.00 0.00 H new ATOM 754 N LYS A 51 3.745 -4.218 -0.457 1.00 0.00 N ATOM 755 CA LYS A 51 4.823 -3.426 0.124 1.00 0.00 C ATOM 756 C LYS A 51 4.738 -1.973 -0.333 1.00 0.00 C ATOM 757 O LYS A 51 4.914 -1.673 -1.514 1.00 0.00 O ATOM 758 CB LYS A 51 6.181 -4.015 -0.263 1.00 0.00 C ATOM 759 CG LYS A 51 7.300 -3.647 0.696 1.00 0.00 C ATOM 760 CD LYS A 51 8.589 -4.374 0.354 1.00 0.00 C ATOM 761 CE LYS A 51 8.691 -5.703 1.087 1.00 0.00 C ATOM 762 NZ LYS A 51 10.064 -6.275 1.010 1.00 0.00 N ATOM 0 H LYS A 51 3.802 -4.328 -1.469 1.00 0.00 H new ATOM 0 HA LYS A 51 4.717 -3.454 1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.097 -5.101 -0.310 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.444 -3.672 -1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.469 -2.571 0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.002 -3.893 1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.637 -4.546 -0.721 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.442 -3.747 0.615 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.414 -5.564 2.132 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.979 -6.409 0.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.092 -7.180 1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.319 -6.432 0.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.741 -5.613 1.441 1.00 0.00 H new ATOM 776 N ALA A 52 4.469 -1.076 0.609 1.00 0.00 N ATOM 777 CA ALA A 52 4.365 0.345 0.303 1.00 0.00 C ATOM 778 C ALA A 52 5.224 1.176 1.251 1.00 0.00 C ATOM 779 O ALA A 52 5.478 0.774 2.387 1.00 0.00 O ATOM 780 CB ALA A 52 2.913 0.795 0.373 1.00 0.00 C ATOM 0 H ALA A 52 4.319 -1.308 1.591 1.00 0.00 H new ATOM 0 HA ALA A 52 4.734 0.501 -0.711 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.850 1.858 0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.322 0.231 -0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.525 0.618 1.376 1.00 0.00 H new ATOM 786 N ARG A 53 5.670 2.334 0.777 1.00 0.00 N ATOM 787 CA ARG A 53 6.502 3.220 1.582 1.00 0.00 C ATOM 788 C ARG A 53 5.790 4.543 1.847 1.00 0.00 C ATOM 789 O ARG A 53 5.087 5.065 0.983 1.00 0.00 O ATOM 790 CB ARG A 53 7.837 3.478 0.880 1.00 0.00 C ATOM 791 CG ARG A 53 8.703 4.513 1.580 1.00 0.00 C ATOM 792 CD ARG A 53 10.007 4.744 0.834 1.00 0.00 C ATOM 793 NE ARG A 53 11.064 3.842 1.285 1.00 0.00 N ATOM 794 CZ ARG A 53 12.133 3.539 0.557 1.00 0.00 C ATOM 795 NH1 ARG A 53 12.287 4.064 -0.651 1.00 0.00 N ATOM 796 NH2 ARG A 53 13.051 2.710 1.037 1.00 0.00 N ATOM 0 H ARG A 53 5.469 2.681 -0.161 1.00 0.00 H new ATOM 0 HA ARG A 53 6.690 2.731 2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.389 2.541 0.812 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.643 3.809 -0.140 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.156 5.453 1.659 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.918 4.182 2.596 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.843 4.604 -0.234 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.327 5.776 0.975 1.00 0.00 H new ATOM 0 HE ARG A 53 10.976 3.422 2.210 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.584 4.702 -1.023 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.109 3.830 -1.208 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.936 2.305 1.966 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.871 2.478 0.477 1.00 0.00 H new ATOM 810 N ASN A 54 5.979 5.081 3.048 1.00 0.00 N ATOM 811 CA ASN A 54 5.354 6.343 3.427 1.00 0.00 C ATOM 812 C ASN A 54 6.352 7.493 3.337 1.00 0.00 C ATOM 813 O ASN A 54 7.501 7.303 2.936 1.00 0.00 O ATOM 814 CB ASN A 54 4.792 6.251 4.847 1.00 0.00 C ATOM 815 CG ASN A 54 5.633 5.365 5.746 1.00 0.00 C ATOM 816 OD1 ASN A 54 6.795 5.086 5.450 1.00 0.00 O ATOM 817 ND2 ASN A 54 5.048 4.917 6.850 1.00 0.00 N ATOM 0 H ASN A 54 6.560 4.663 3.775 1.00 0.00 H new ATOM 0 HA ASN A 54 4.538 6.539 2.732 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.735 7.251 5.278 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.774 5.862 4.808 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.564 4.316 7.493 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.082 5.174 7.056 1.00 0.00 H new ATOM 824 N LYS A 55 5.907 8.687 3.712 1.00 0.00 N ATOM 825 CA LYS A 55 6.760 9.869 3.676 1.00 0.00 C ATOM 826 C LYS A 55 7.951 9.709 4.615 1.00 0.00 C ATOM 827 O LYS A 55 8.978 10.367 4.449 1.00 0.00 O ATOM 828 CB LYS A 55 5.957 11.114 4.059 1.00 0.00 C ATOM 829 CG LYS A 55 5.372 11.053 5.460 1.00 0.00 C ATOM 830 CD LYS A 55 4.129 11.919 5.583 1.00 0.00 C ATOM 831 CE LYS A 55 4.484 13.358 5.922 1.00 0.00 C ATOM 832 NZ LYS A 55 4.772 13.531 7.373 1.00 0.00 N ATOM 0 H LYS A 55 4.959 8.862 4.045 1.00 0.00 H new ATOM 0 HA LYS A 55 7.135 9.985 2.659 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.601 11.990 3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.147 11.249 3.342 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.123 10.021 5.707 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.119 11.382 6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.571 11.892 4.647 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.476 11.513 6.355 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.353 13.664 5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.661 14.012 5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.010 14.525 7.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.934 13.263 7.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.574 12.926 7.642 1.00 0.00 H new ATOM 846 N VAL A 56 7.807 8.830 5.602 1.00 0.00 N ATOM 847 CA VAL A 56 8.872 8.582 6.567 1.00 0.00 C ATOM 848 C VAL A 56 9.802 7.475 6.085 1.00 0.00 C ATOM 849 O VAL A 56 10.753 7.105 6.773 1.00 0.00 O ATOM 850 CB VAL A 56 8.302 8.196 7.945 1.00 0.00 C ATOM 851 CG1 VAL A 56 7.773 9.426 8.667 1.00 0.00 C ATOM 852 CG2 VAL A 56 7.212 7.146 7.795 1.00 0.00 C ATOM 0 H VAL A 56 6.963 8.278 5.754 1.00 0.00 H new ATOM 0 HA VAL A 56 9.436 9.510 6.663 1.00 0.00 H new ATOM 0 HB VAL A 56 9.106 7.769 8.545 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.374 9.134 9.639 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.583 10.142 8.807 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.982 9.884 8.073 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.820 6.885 8.778 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.407 7.543 7.177 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.627 6.256 7.322 1.00 0.00 H new ATOM 862 N GLY A 57 9.521 6.948 4.897 1.00 0.00 N ATOM 863 CA GLY A 57 10.343 5.887 4.343 1.00 0.00 C ATOM 864 C GLY A 57 9.974 4.522 4.890 1.00 0.00 C ATOM 865 O GLY A 57 10.216 3.503 4.245 1.00 0.00 O ATOM 0 H GLY A 57 8.739 7.236 4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.239 5.880 3.258 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.391 6.092 4.562 1.00 0.00 H new ATOM 869 N GLN A 58 9.389 4.503 6.083 1.00 0.00 N ATOM 870 CA GLN A 58 8.988 3.253 6.717 1.00 0.00 C ATOM 871 C GLN A 58 8.256 2.351 5.728 1.00 0.00 C ATOM 872 O GLN A 58 7.194 2.706 5.218 1.00 0.00 O ATOM 873 CB GLN A 58 8.096 3.532 7.927 1.00 0.00 C ATOM 874 CG GLN A 58 8.873 3.809 9.205 1.00 0.00 C ATOM 875 CD GLN A 58 8.022 3.655 10.450 1.00 0.00 C ATOM 876 OE1 GLN A 58 6.866 3.237 10.378 1.00 0.00 O ATOM 877 NE2 GLN A 58 8.591 3.991 11.601 1.00 0.00 N ATOM 0 H GLN A 58 9.182 5.339 6.630 1.00 0.00 H new ATOM 0 HA GLN A 58 9.890 2.740 7.051 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.457 4.387 7.707 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.440 2.677 8.089 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.723 3.129 9.264 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.277 4.821 9.168 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.552 4.333 11.614 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.067 3.907 12.472 1.00 0.00 H new ATOM 886 N VAL A 59 8.832 1.183 5.462 1.00 0.00 N ATOM 887 CA VAL A 59 8.234 0.230 4.535 1.00 0.00 C ATOM 888 C VAL A 59 7.732 -1.009 5.268 1.00 0.00 C ATOM 889 O VAL A 59 8.481 -1.658 5.997 1.00 0.00 O ATOM 890 CB VAL A 59 9.237 -0.202 3.448 1.00 0.00 C ATOM 891 CG1 VAL A 59 8.569 -1.123 2.439 1.00 0.00 C ATOM 892 CG2 VAL A 59 9.831 1.017 2.758 1.00 0.00 C ATOM 0 H VAL A 59 9.712 0.874 5.875 1.00 0.00 H new ATOM 0 HA VAL A 59 7.392 0.735 4.062 1.00 0.00 H new ATOM 0 HB VAL A 59 10.048 -0.753 3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.293 -1.417 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.196 -2.012 2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.738 -0.601 1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.537 0.694 1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.033 1.597 2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.348 1.635 3.492 1.00 0.00 H new ATOM 902 N GLY A 60 6.457 -1.332 5.068 1.00 0.00 N ATOM 903 CA GLY A 60 5.876 -2.493 5.717 1.00 0.00 C ATOM 904 C GLY A 60 4.851 -3.191 4.846 1.00 0.00 C ATOM 905 O GLY A 60 4.728 -2.892 3.658 1.00 0.00 O ATOM 0 H GLY A 60 5.817 -0.811 4.469 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.668 -3.196 5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.406 -2.186 6.651 1.00 0.00 H new ATOM 909 N TYR A 61 4.114 -4.126 5.437 1.00 0.00 N ATOM 910 CA TYR A 61 3.097 -4.872 4.705 1.00 0.00 C ATOM 911 C TYR A 61 1.696 -4.400 5.085 1.00 0.00 C ATOM 912 O TYR A 61 1.356 -4.316 6.265 1.00 0.00 O ATOM 913 CB TYR A 61 3.235 -6.370 4.983 1.00 0.00 C ATOM 914 CG TYR A 61 4.598 -6.926 4.640 1.00 0.00 C ATOM 915 CD1 TYR A 61 5.141 -6.757 3.373 1.00 0.00 C ATOM 916 CD2 TYR A 61 5.345 -7.619 5.585 1.00 0.00 C ATOM 917 CE1 TYR A 61 6.386 -7.264 3.055 1.00 0.00 C ATOM 918 CE2 TYR A 61 6.591 -8.129 5.277 1.00 0.00 C ATOM 919 CZ TYR A 61 7.108 -7.949 4.011 1.00 0.00 C ATOM 920 OH TYR A 61 8.349 -8.454 3.699 1.00 0.00 O ATOM 0 H TYR A 61 4.202 -4.385 6.420 1.00 0.00 H new ATOM 0 HA TYR A 61 3.246 -4.691 3.640 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.031 -6.556 6.038 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.478 -6.908 4.412 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.580 -6.220 2.623 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.944 -7.761 6.578 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.792 -7.125 2.064 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.158 -8.666 6.023 1.00 0.00 H new ATOM 0 HH TYR A 61 8.724 -8.907 4.483 1.00 0.00 H new ATOM 930 N VAL A 62 0.888 -4.093 4.076 1.00 0.00 N ATOM 931 CA VAL A 62 -0.476 -3.631 4.301 1.00 0.00 C ATOM 932 C VAL A 62 -1.455 -4.332 3.367 1.00 0.00 C ATOM 933 O VAL A 62 -1.114 -4.726 2.252 1.00 0.00 O ATOM 934 CB VAL A 62 -0.593 -2.108 4.101 1.00 0.00 C ATOM 935 CG1 VAL A 62 0.289 -1.369 5.096 1.00 0.00 C ATOM 936 CG2 VAL A 62 -0.233 -1.730 2.673 1.00 0.00 C ATOM 0 H VAL A 62 1.155 -4.156 3.094 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.726 -3.875 5.334 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.627 -1.814 4.281 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.193 -0.295 4.939 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.021 -1.617 6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.328 -1.665 4.951 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.321 -0.651 2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.791 -2.037 2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.911 -2.231 1.982 1.00 0.00 H new ATOM 946 N PRO A 63 -2.704 -4.492 3.831 1.00 0.00 N ATOM 947 CA PRO A 63 -3.760 -5.145 3.052 1.00 0.00 C ATOM 948 C PRO A 63 -4.205 -4.305 1.860 1.00 0.00 C ATOM 949 O PRO A 63 -4.815 -3.249 2.027 1.00 0.00 O ATOM 950 CB PRO A 63 -4.903 -5.294 4.058 1.00 0.00 C ATOM 951 CG PRO A 63 -4.673 -4.211 5.056 1.00 0.00 C ATOM 952 CD PRO A 63 -3.181 -4.047 5.151 1.00 0.00 C ATOM 0 HA PRO A 63 -3.425 -6.090 2.624 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.873 -5.186 3.573 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.890 -6.277 4.530 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.149 -3.282 4.741 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.099 -4.475 6.024 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.902 -3.012 5.351 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.761 -4.651 5.955 1.00 0.00 H new ATOM 960 N GLU A 64 -3.897 -4.782 0.657 1.00 0.00 N ATOM 961 CA GLU A 64 -4.266 -4.073 -0.562 1.00 0.00 C ATOM 962 C GLU A 64 -5.710 -3.583 -0.491 1.00 0.00 C ATOM 963 O GLU A 64 -5.985 -2.396 -0.669 1.00 0.00 O ATOM 964 CB GLU A 64 -4.083 -4.979 -1.781 1.00 0.00 C ATOM 965 CG GLU A 64 -3.746 -4.224 -3.056 1.00 0.00 C ATOM 966 CD GLU A 64 -4.953 -3.538 -3.664 1.00 0.00 C ATOM 967 OE1 GLU A 64 -5.275 -2.411 -3.234 1.00 0.00 O ATOM 968 OE2 GLU A 64 -5.576 -4.128 -4.572 1.00 0.00 O ATOM 0 H GLU A 64 -3.394 -5.655 0.502 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.611 -3.207 -0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.290 -5.697 -1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.997 -5.551 -1.938 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.980 -3.479 -2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.322 -4.917 -3.783 1.00 0.00 H new ATOM 975 N LYS A 65 -6.629 -4.506 -0.230 1.00 0.00 N ATOM 976 CA LYS A 65 -8.045 -4.171 -0.134 1.00 0.00 C ATOM 977 C LYS A 65 -8.239 -2.811 0.530 1.00 0.00 C ATOM 978 O LYS A 65 -8.997 -1.973 0.040 1.00 0.00 O ATOM 979 CB LYS A 65 -8.793 -5.247 0.656 1.00 0.00 C ATOM 980 CG LYS A 65 -8.347 -5.359 2.104 1.00 0.00 C ATOM 981 CD LYS A 65 -8.662 -6.729 2.681 1.00 0.00 C ATOM 982 CE LYS A 65 -7.659 -7.127 3.752 1.00 0.00 C ATOM 983 NZ LYS A 65 -8.130 -8.294 4.547 1.00 0.00 N ATOM 0 H LYS A 65 -6.419 -5.493 -0.081 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.450 -4.124 -1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.861 -5.029 0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.652 -6.210 0.166 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.275 -5.173 2.171 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.841 -4.591 2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.666 -6.724 3.105 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.657 -7.471 1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.705 -7.368 3.284 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.483 -6.282 4.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.418 -8.534 5.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.028 -8.056 5.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.273 -9.109 3.916 1.00 0.00 H new ATOM 997 N TYR A 66 -7.548 -2.599 1.644 1.00 0.00 N ATOM 998 CA TYR A 66 -7.645 -1.341 2.375 1.00 0.00 C ATOM 999 C TYR A 66 -7.202 -0.169 1.504 1.00 0.00 C ATOM 1000 O TYR A 66 -7.798 0.908 1.541 1.00 0.00 O ATOM 1001 CB TYR A 66 -6.794 -1.397 3.645 1.00 0.00 C ATOM 1002 CG TYR A 66 -7.492 -2.057 4.812 1.00 0.00 C ATOM 1003 CD1 TYR A 66 -7.744 -3.424 4.814 1.00 0.00 C ATOM 1004 CD2 TYR A 66 -7.899 -1.315 5.914 1.00 0.00 C ATOM 1005 CE1 TYR A 66 -8.382 -4.032 5.878 1.00 0.00 C ATOM 1006 CE2 TYR A 66 -8.536 -1.914 6.983 1.00 0.00 C ATOM 1007 CZ TYR A 66 -8.775 -3.273 6.960 1.00 0.00 C ATOM 1008 OH TYR A 66 -9.411 -3.873 8.023 1.00 0.00 O ATOM 0 H TYR A 66 -6.915 -3.281 2.061 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.689 -1.191 2.651 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.872 -1.937 3.431 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.511 -0.383 3.928 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.436 -4.021 3.969 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.714 -0.251 5.935 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.572 -5.095 5.862 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.845 -1.322 7.832 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.620 -3.198 8.702 1.00 0.00 H new ATOM 1018 N LEU A 67 -6.152 -0.387 0.720 1.00 0.00 N ATOM 1019 CA LEU A 67 -5.628 0.649 -0.163 1.00 0.00 C ATOM 1020 C LEU A 67 -6.570 0.893 -1.337 1.00 0.00 C ATOM 1021 O LEU A 67 -7.378 0.032 -1.685 1.00 0.00 O ATOM 1022 CB LEU A 67 -4.243 0.254 -0.679 1.00 0.00 C ATOM 1023 CG LEU A 67 -3.190 -0.047 0.388 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -1.917 -0.578 -0.253 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -2.895 1.197 1.213 1.00 0.00 C ATOM 0 H LEU A 67 -5.647 -1.272 0.678 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.546 1.572 0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.351 -0.626 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.870 1.059 -1.312 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.585 -0.815 1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.179 -0.787 0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.139 -1.495 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.519 0.167 -0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.143 0.964 1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.521 1.986 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.809 1.534 1.703 1.00 0.00 H new ATOM 1037 N GLN A 68 -6.459 2.070 -1.944 1.00 0.00 N ATOM 1038 CA GLN A 68 -7.300 2.425 -3.080 1.00 0.00 C ATOM 1039 C GLN A 68 -6.455 2.700 -4.319 1.00 0.00 C ATOM 1040 O GLN A 68 -6.084 3.843 -4.590 1.00 0.00 O ATOM 1041 CB GLN A 68 -8.152 3.652 -2.748 1.00 0.00 C ATOM 1042 CG GLN A 68 -9.246 3.928 -3.767 1.00 0.00 C ATOM 1043 CD GLN A 68 -9.784 5.342 -3.676 1.00 0.00 C ATOM 1044 OE1 GLN A 68 -9.203 6.199 -3.010 1.00 0.00 O ATOM 1045 NE2 GLN A 68 -10.901 5.595 -4.349 1.00 0.00 N ATOM 0 H GLN A 68 -5.795 2.793 -1.668 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.957 1.581 -3.290 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.607 3.513 -1.767 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.504 4.526 -2.678 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.855 3.756 -4.770 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.063 3.222 -3.618 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.350 4.855 -4.889 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.310 6.529 -4.326 1.00 0.00 H new ATOM 1054 N PHE A 69 -6.152 1.645 -5.069 1.00 0.00 N ATOM 1055 CA PHE A 69 -5.348 1.772 -6.279 1.00 0.00 C ATOM 1056 C PHE A 69 -5.986 2.756 -7.255 1.00 0.00 C ATOM 1057 O PHE A 69 -7.190 3.015 -7.217 1.00 0.00 O ATOM 1058 CB PHE A 69 -5.179 0.408 -6.950 1.00 0.00 C ATOM 1059 CG PHE A 69 -4.081 -0.423 -6.350 1.00 0.00 C ATOM 1060 CD1 PHE A 69 -3.979 -0.573 -4.976 1.00 0.00 C ATOM 1061 CD2 PHE A 69 -3.151 -1.055 -7.160 1.00 0.00 C ATOM 1062 CE1 PHE A 69 -2.970 -1.337 -4.421 1.00 0.00 C ATOM 1063 CE2 PHE A 69 -2.141 -1.821 -6.610 1.00 0.00 C ATOM 1064 CZ PHE A 69 -2.049 -1.962 -5.239 1.00 0.00 C ATOM 0 H PHE A 69 -6.451 0.693 -4.860 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.367 2.153 -5.995 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.118 -0.141 -6.881 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.974 0.556 -8.010 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.697 -0.087 -4.331 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.216 -0.948 -8.233 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.902 -1.445 -3.349 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.423 -2.310 -7.252 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.259 -2.559 -4.808 1.00 0.00 H new ATOM 1074 N PRO A 70 -5.162 3.320 -8.150 1.00 0.00 N ATOM 1075 CA PRO A 70 -5.623 4.284 -9.153 1.00 0.00 C ATOM 1076 C PRO A 70 -6.498 3.637 -10.221 1.00 0.00 C ATOM 1077 O PRO A 70 -7.411 4.267 -10.757 1.00 0.00 O ATOM 1078 CB PRO A 70 -4.322 4.803 -9.771 1.00 0.00 C ATOM 1079 CG PRO A 70 -3.337 3.706 -9.555 1.00 0.00 C ATOM 1080 CD PRO A 70 -3.716 3.059 -8.252 1.00 0.00 C ATOM 0 HA PRO A 70 -6.243 5.064 -8.712 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.447 5.020 -10.832 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.997 5.727 -9.292 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.370 2.986 -10.372 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.320 4.097 -9.515 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.500 1.991 -8.256 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.169 3.492 -7.414 1.00 0.00 H new