USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 482 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 : B 16 CYS SG : rot 180:sc= -0.158 USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 ASN : amide:sc= -2.69 K(o=-2.7,f=-1.8) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 SER OG : rot -92:sc= 1.2 USER MOD Single : B 38 LYS NZ :NH3+ -164:sc= -0.0377 (180deg=-0.304) USER MOD Single : B 39 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ -158:sc= 0.414 (180deg=0.0553) USER MOD Single : B 49 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : B 72 SER OG : rot 180:sc= 0 USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 138 N CYS B 16 12.562 -1.005 -0.699 1.00 0.00 N ATOM 139 CA CYS B 16 13.810 -0.434 -1.186 1.00 0.00 C ATOM 140 C CYS B 16 13.774 1.093 -1.150 1.00 0.00 C ATOM 141 O CYS B 16 14.762 1.743 -1.492 1.00 0.00 O ATOM 142 CB CYS B 16 14.073 -0.934 -2.605 1.00 0.00 C ATOM 143 SG CYS B 16 14.329 -2.724 -2.561 1.00 0.00 S ATOM 0 HA CYS B 16 14.621 -0.755 -0.532 1.00 0.00 H new ATOM 0 HB2 CYS B 16 13.231 -0.690 -3.252 1.00 0.00 H new ATOM 0 HB3 CYS B 16 14.950 -0.438 -3.022 1.00 0.00 H new ATOM 0 HG CYS B 16 14.552 -3.160 -3.765 1.00 0.00 H new ATOM 149 N ARG B 17 12.640 1.667 -0.738 1.00 0.00 N ATOM 150 CA ARG B 17 12.460 3.111 -0.685 1.00 0.00 C ATOM 151 C ARG B 17 13.325 3.724 0.406 1.00 0.00 C ATOM 152 O ARG B 17 13.556 3.105 1.442 1.00 0.00 O ATOM 153 CB ARG B 17 10.986 3.444 -0.433 1.00 0.00 C ATOM 154 CG ARG B 17 10.092 2.907 -1.554 1.00 0.00 C ATOM 155 CD ARG B 17 8.635 3.298 -1.312 1.00 0.00 C ATOM 156 NE ARG B 17 8.107 2.673 -0.089 1.00 0.00 N ATOM 157 CZ ARG B 17 6.808 2.607 0.210 1.00 0.00 C ATOM 158 NH1 ARG B 17 5.890 3.116 -0.605 1.00 0.00 N ATOM 159 NH2 ARG B 17 6.423 2.026 1.340 1.00 0.00 N ATOM 0 H ARG B 17 11.823 1.138 -0.433 1.00 0.00 H new ATOM 0 HA ARG B 17 12.766 3.532 -1.643 1.00 0.00 H new ATOM 0 HB2 ARG B 17 10.673 3.017 0.520 1.00 0.00 H new ATOM 0 HB3 ARG B 17 10.864 4.524 -0.354 1.00 0.00 H new ATOM 0 HG2 ARG B 17 10.426 3.302 -2.514 1.00 0.00 H new ATOM 0 HG3 ARG B 17 10.179 1.822 -1.608 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.556 4.382 -1.231 1.00 0.00 H new ATOM 0 HD3 ARG B 17 8.029 2.997 -2.167 1.00 0.00 H new ATOM 0 HE ARG B 17 8.772 2.267 0.569 1.00 0.00 H new ATOM 0 HH11 ARG B 17 6.174 3.566 -1.475 1.00 0.00 H new ATOM 0 HH12 ARG B 17 4.902 3.056 -0.360 1.00 0.00 H new ATOM 0 HH21 ARG B 17 7.119 1.633 1.974 1.00 0.00 H new ATOM 0 HH22 ARG B 17 5.432 1.973 1.574 1.00 0.00 H new ATOM 173 N ILE B 18 13.802 4.950 0.176 1.00 0.00 N ATOM 174 CA ILE B 18 14.510 5.724 1.191 1.00 0.00 C ATOM 175 C ILE B 18 13.959 7.144 1.245 1.00 0.00 C ATOM 176 O ILE B 18 13.179 7.554 0.385 1.00 0.00 O ATOM 177 CB ILE B 18 16.020 5.730 0.928 1.00 0.00 C ATOM 178 CG1 ILE B 18 16.353 6.550 -0.324 1.00 0.00 C ATOM 179 CG2 ILE B 18 16.543 4.299 0.800 1.00 0.00 C ATOM 180 CD1 ILE B 18 17.862 6.777 -0.434 1.00 0.00 C ATOM 0 H ILE B 18 13.707 5.431 -0.719 1.00 0.00 H new ATOM 0 HA ILE B 18 14.349 5.252 2.160 1.00 0.00 H new ATOM 0 HB ILE B 18 16.516 6.202 1.776 1.00 0.00 H new ATOM 0 HG12 ILE B 18 15.992 6.031 -1.212 1.00 0.00 H new ATOM 0 HG13 ILE B 18 15.837 7.510 -0.285 1.00 0.00 H new ATOM 0 HG21 ILE B 18 17.617 4.319 0.613 1.00 0.00 H new ATOM 0 HG22 ILE B 18 16.346 3.755 1.724 1.00 0.00 H new ATOM 0 HG23 ILE B 18 16.040 3.801 -0.029 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.078 7.361 -1.329 1.00 0.00 H new ATOM 0 HD12 ILE B 18 18.214 7.317 0.445 1.00 0.00 H new ATOM 0 HD13 ILE B 18 18.371 5.815 -0.497 1.00 0.00 H new ATOM 192 N TYR B 19 14.376 7.892 2.267 1.00 0.00 N ATOM 193 CA TYR B 19 13.903 9.249 2.516 1.00 0.00 C ATOM 194 C TYR B 19 14.977 10.320 2.382 1.00 0.00 C ATOM 195 O TYR B 19 16.157 10.061 2.612 1.00 0.00 O ATOM 196 CB TYR B 19 13.130 9.319 3.841 1.00 0.00 C ATOM 197 CG TYR B 19 13.179 10.665 4.533 1.00 0.00 C ATOM 198 CD1 TYR B 19 12.142 11.596 4.366 1.00 0.00 C ATOM 199 CD2 TYR B 19 14.272 10.975 5.358 1.00 0.00 C ATOM 200 CE1 TYR B 19 12.186 12.826 5.045 1.00 0.00 C ATOM 201 CE2 TYR B 19 14.323 12.200 6.035 1.00 0.00 C ATOM 202 CZ TYR B 19 13.282 13.136 5.875 1.00 0.00 C ATOM 203 OH TYR B 19 13.337 14.328 6.530 1.00 0.00 O ATOM 0 H TYR B 19 15.059 7.567 2.951 1.00 0.00 H new ATOM 0 HA TYR B 19 13.205 9.490 1.714 1.00 0.00 H new ATOM 0 HB2 TYR B 19 12.088 9.061 3.652 1.00 0.00 H new ATOM 0 HB3 TYR B 19 13.528 8.563 4.518 1.00 0.00 H new ATOM 0 HD1 TYR B 19 11.310 11.367 3.716 1.00 0.00 H new ATOM 0 HD2 TYR B 19 15.078 10.265 5.471 1.00 0.00 H new ATOM 0 HE1 TYR B 19 11.379 13.534 4.930 1.00 0.00 H new ATOM 0 HE2 TYR B 19 15.160 12.427 6.679 1.00 0.00 H new ATOM 0 HH TYR B 19 14.161 14.373 7.058 1.00 0.00 H new ATOM 213 N VAL B 20 14.555 11.528 2.005 1.00 0.00 N ATOM 214 CA VAL B 20 15.441 12.667 1.832 1.00 0.00 C ATOM 215 C VAL B 20 14.773 13.911 2.408 1.00 0.00 C ATOM 216 O VAL B 20 13.556 14.064 2.297 1.00 0.00 O ATOM 217 CB VAL B 20 15.768 12.851 0.346 1.00 0.00 C ATOM 218 CG1 VAL B 20 16.718 14.032 0.149 1.00 0.00 C ATOM 219 CG2 VAL B 20 16.415 11.592 -0.231 1.00 0.00 C ATOM 0 H VAL B 20 13.576 11.739 1.810 1.00 0.00 H new ATOM 0 HA VAL B 20 16.378 12.496 2.363 1.00 0.00 H new ATOM 0 HB VAL B 20 14.831 13.044 -0.176 1.00 0.00 H new ATOM 0 HG11 VAL B 20 16.939 14.148 -0.912 1.00 0.00 H new ATOM 0 HG12 VAL B 20 16.250 14.942 0.523 1.00 0.00 H new ATOM 0 HG13 VAL B 20 17.644 13.849 0.695 1.00 0.00 H new ATOM 0 HG21 VAL B 20 16.637 11.748 -1.287 1.00 0.00 H new ATOM 0 HG22 VAL B 20 17.339 11.379 0.307 1.00 0.00 H new ATOM 0 HG23 VAL B 20 15.731 10.750 -0.125 1.00 0.00 H new ATOM 229 N GLY B 21 15.550 14.806 3.022 1.00 0.00 N ATOM 230 CA GLY B 21 14.998 15.997 3.643 1.00 0.00 C ATOM 231 C GLY B 21 16.038 17.102 3.779 1.00 0.00 C ATOM 232 O GLY B 21 17.187 16.939 3.365 1.00 0.00 O ATOM 0 H GLY B 21 16.564 14.722 3.099 1.00 0.00 H new ATOM 0 HA2 GLY B 21 14.159 16.360 3.050 1.00 0.00 H new ATOM 0 HA3 GLY B 21 14.606 15.744 4.628 1.00 0.00 H new ATOM 236 N ASN B 22 15.617 18.227 4.366 1.00 0.00 N ATOM 237 CA ASN B 22 16.448 19.412 4.539 1.00 0.00 C ATOM 238 C ASN B 22 16.996 19.920 3.198 1.00 0.00 C ATOM 239 O ASN B 22 18.026 20.592 3.165 1.00 0.00 O ATOM 240 CB ASN B 22 17.572 19.124 5.539 1.00 0.00 C ATOM 241 CG ASN B 22 18.213 20.418 6.020 1.00 0.00 C ATOM 242 OD1 ASN B 22 17.540 21.265 6.599 1.00 0.00 O ATOM 243 ND2 ASN B 22 19.510 20.575 5.786 1.00 0.00 N ATOM 0 H ASN B 22 14.674 18.337 4.738 1.00 0.00 H new ATOM 0 HA ASN B 22 15.827 20.211 4.944 1.00 0.00 H new ATOM 0 HB2 ASN B 22 17.175 18.572 6.390 1.00 0.00 H new ATOM 0 HB3 ASN B 22 18.327 18.491 5.072 1.00 0.00 H new ATOM 0 HD21 ASN B 22 19.984 21.425 6.091 1.00 0.00 H new ATOM 0 HD22 ASN B 22 20.033 19.846 5.301 1.00 0.00 H new ATOM 250 N LEU B 23 16.322 19.603 2.091 1.00 0.00 N ATOM 251 CA LEU B 23 16.766 20.040 0.775 1.00 0.00 C ATOM 252 C LEU B 23 16.706 21.567 0.693 1.00 0.00 C ATOM 253 O LEU B 23 15.825 22.182 1.293 1.00 0.00 O ATOM 254 CB LEU B 23 15.891 19.394 -0.306 1.00 0.00 C ATOM 255 CG LEU B 23 16.076 17.872 -0.335 1.00 0.00 C ATOM 256 CD1 LEU B 23 15.038 17.251 -1.273 1.00 0.00 C ATOM 257 CD2 LEU B 23 17.474 17.504 -0.831 1.00 0.00 C ATOM 0 H LEU B 23 15.468 19.046 2.084 1.00 0.00 H new ATOM 0 HA LEU B 23 17.798 19.728 0.611 1.00 0.00 H new ATOM 0 HB2 LEU B 23 14.844 19.632 -0.120 1.00 0.00 H new ATOM 0 HB3 LEU B 23 16.144 19.812 -1.280 1.00 0.00 H new ATOM 0 HG LEU B 23 15.948 17.490 0.678 1.00 0.00 H new ATOM 0 HD11 LEU B 23 15.168 16.169 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU B 23 14.036 17.489 -0.915 1.00 0.00 H new ATOM 0 HD13 LEU B 23 15.169 17.652 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU B 23 17.582 16.419 -0.843 1.00 0.00 H new ATOM 0 HD22 LEU B 23 17.617 17.894 -1.839 1.00 0.00 H new ATOM 0 HD23 LEU B 23 18.222 17.936 -0.165 1.00 0.00 H new ATOM 366 N LYS B 30 15.634 17.517 -11.433 1.00 0.00 N ATOM 367 CA LYS B 30 16.705 16.907 -12.209 1.00 0.00 C ATOM 368 C LYS B 30 17.950 16.692 -11.352 1.00 0.00 C ATOM 369 O LYS B 30 18.715 15.760 -11.588 1.00 0.00 O ATOM 370 CB LYS B 30 17.015 17.810 -13.405 1.00 0.00 C ATOM 371 CG LYS B 30 17.985 17.134 -14.380 1.00 0.00 C ATOM 372 CD LYS B 30 19.155 18.060 -14.719 1.00 0.00 C ATOM 373 CE LYS B 30 19.964 18.372 -13.458 1.00 0.00 C ATOM 374 NZ LYS B 30 21.153 19.183 -13.773 1.00 0.00 N ATOM 0 HA LYS B 30 16.386 15.926 -12.562 1.00 0.00 H new ATOM 0 HB2 LYS B 30 16.090 18.059 -13.924 1.00 0.00 H new ATOM 0 HB3 LYS B 30 17.445 18.748 -13.053 1.00 0.00 H new ATOM 0 HG2 LYS B 30 18.363 16.210 -13.941 1.00 0.00 H new ATOM 0 HG3 LYS B 30 17.457 16.860 -15.293 1.00 0.00 H new ATOM 0 HD2 LYS B 30 19.796 17.590 -15.464 1.00 0.00 H new ATOM 0 HD3 LYS B 30 18.781 18.985 -15.158 1.00 0.00 H new ATOM 0 HE2 LYS B 30 19.337 18.905 -12.743 1.00 0.00 H new ATOM 0 HE3 LYS B 30 20.272 17.441 -12.981 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 21.681 19.379 -12.899 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 21.762 18.663 -14.437 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 20.856 20.081 -14.206 1.00 0.00 H new ATOM 388 N ASP B 31 18.163 17.549 -10.349 1.00 0.00 N ATOM 389 CA ASP B 31 19.326 17.421 -9.485 1.00 0.00 C ATOM 390 C ASP B 31 19.207 16.205 -8.575 1.00 0.00 C ATOM 391 O ASP B 31 20.200 15.538 -8.289 1.00 0.00 O ATOM 392 CB ASP B 31 19.515 18.701 -8.665 1.00 0.00 C ATOM 393 CG ASP B 31 19.881 19.904 -9.533 1.00 0.00 C ATOM 394 OD1 ASP B 31 19.966 21.014 -8.963 1.00 0.00 O ATOM 395 OD2 ASP B 31 20.074 19.707 -10.754 1.00 0.00 O ATOM 0 H ASP B 31 17.548 18.330 -10.122 1.00 0.00 H new ATOM 0 HA ASP B 31 20.205 17.275 -10.113 1.00 0.00 H new ATOM 0 HB2 ASP B 31 18.597 18.917 -8.119 1.00 0.00 H new ATOM 0 HB3 ASP B 31 20.297 18.541 -7.923 1.00 0.00 H new ATOM 400 N ILE B 32 17.982 15.919 -8.123 1.00 0.00 N ATOM 401 CA ILE B 32 17.735 14.828 -7.195 1.00 0.00 C ATOM 402 C ILE B 32 17.789 13.469 -7.903 1.00 0.00 C ATOM 403 O ILE B 32 17.861 12.440 -7.238 1.00 0.00 O ATOM 404 CB ILE B 32 16.388 15.046 -6.490 1.00 0.00 C ATOM 405 CG1 ILE B 32 16.126 13.910 -5.492 1.00 0.00 C ATOM 406 CG2 ILE B 32 15.248 15.105 -7.509 1.00 0.00 C ATOM 407 CD1 ILE B 32 15.032 14.299 -4.499 1.00 0.00 C ATOM 0 H ILE B 32 17.145 16.436 -8.391 1.00 0.00 H new ATOM 0 HA ILE B 32 18.523 14.821 -6.442 1.00 0.00 H new ATOM 0 HB ILE B 32 16.432 15.995 -5.956 1.00 0.00 H new ATOM 0 HG12 ILE B 32 15.831 13.009 -6.030 1.00 0.00 H new ATOM 0 HG13 ILE B 32 17.044 13.674 -4.954 1.00 0.00 H new ATOM 0 HG21 ILE B 32 14.303 15.260 -6.989 1.00 0.00 H new ATOM 0 HG22 ILE B 32 15.421 15.929 -8.201 1.00 0.00 H new ATOM 0 HG23 ILE B 32 15.207 14.168 -8.064 1.00 0.00 H new ATOM 0 HD11 ILE B 32 14.864 13.478 -3.802 1.00 0.00 H new ATOM 0 HD12 ILE B 32 15.341 15.186 -3.947 1.00 0.00 H new ATOM 0 HD13 ILE B 32 14.109 14.511 -5.039 1.00 0.00 H new ATOM 419 N GLU B 33 17.755 13.439 -9.242 1.00 0.00 N ATOM 420 CA GLU B 33 17.833 12.171 -9.956 1.00 0.00 C ATOM 421 C GLU B 33 19.221 11.979 -10.565 1.00 0.00 C ATOM 422 O GLU B 33 19.610 10.850 -10.844 1.00 0.00 O ATOM 423 CB GLU B 33 16.734 12.090 -11.014 1.00 0.00 C ATOM 424 CG GLU B 33 16.912 13.143 -12.109 1.00 0.00 C ATOM 425 CD GLU B 33 15.826 13.038 -13.181 1.00 0.00 C ATOM 426 OE1 GLU B 33 15.835 13.898 -14.090 1.00 0.00 O ATOM 427 OE2 GLU B 33 14.997 12.103 -13.087 1.00 0.00 O ATOM 0 H GLU B 33 17.676 14.264 -9.837 1.00 0.00 H new ATOM 0 HA GLU B 33 17.673 11.357 -9.248 1.00 0.00 H new ATOM 0 HB2 GLU B 33 16.736 11.097 -11.463 1.00 0.00 H new ATOM 0 HB3 GLU B 33 15.762 12.223 -10.538 1.00 0.00 H new ATOM 0 HG2 GLU B 33 16.888 14.138 -11.664 1.00 0.00 H new ATOM 0 HG3 GLU B 33 17.892 13.024 -12.572 1.00 0.00 H new ATOM 434 N ASP B 34 19.974 13.064 -10.776 1.00 0.00 N ATOM 435 CA ASP B 34 21.323 12.961 -11.316 1.00 0.00 C ATOM 436 C ASP B 34 22.338 12.442 -10.300 1.00 0.00 C ATOM 437 O ASP B 34 23.096 11.519 -10.597 1.00 0.00 O ATOM 438 CB ASP B 34 21.771 14.291 -11.924 1.00 0.00 C ATOM 439 CG ASP B 34 21.127 14.562 -13.287 1.00 0.00 C ATOM 440 OD1 ASP B 34 20.344 13.705 -13.753 1.00 0.00 O ATOM 441 OD2 ASP B 34 21.434 15.636 -13.848 1.00 0.00 O ATOM 0 H ASP B 34 19.669 14.017 -10.580 1.00 0.00 H new ATOM 0 HA ASP B 34 21.284 12.215 -12.110 1.00 0.00 H new ATOM 0 HB2 ASP B 34 21.520 15.102 -11.240 1.00 0.00 H new ATOM 0 HB3 ASP B 34 22.856 14.290 -12.033 1.00 0.00 H new ATOM 446 N VAL B 35 22.363 13.034 -9.100 1.00 0.00 N ATOM 447 CA VAL B 35 23.318 12.624 -8.078 1.00 0.00 C ATOM 448 C VAL B 35 22.941 11.269 -7.486 1.00 0.00 C ATOM 449 O VAL B 35 23.816 10.505 -7.082 1.00 0.00 O ATOM 450 CB VAL B 35 23.457 13.704 -6.995 1.00 0.00 C ATOM 451 CG1 VAL B 35 23.639 15.082 -7.632 1.00 0.00 C ATOM 452 CG2 VAL B 35 22.235 13.733 -6.074 1.00 0.00 C ATOM 0 H VAL B 35 21.738 13.790 -8.820 1.00 0.00 H new ATOM 0 HA VAL B 35 24.294 12.508 -8.549 1.00 0.00 H new ATOM 0 HB VAL B 35 24.337 13.456 -6.401 1.00 0.00 H new ATOM 0 HG11 VAL B 35 23.736 15.835 -6.850 1.00 0.00 H new ATOM 0 HG12 VAL B 35 24.538 15.082 -8.249 1.00 0.00 H new ATOM 0 HG13 VAL B 35 22.773 15.313 -8.253 1.00 0.00 H new ATOM 0 HG21 VAL B 35 22.366 14.508 -5.319 1.00 0.00 H new ATOM 0 HG22 VAL B 35 21.342 13.946 -6.661 1.00 0.00 H new ATOM 0 HG23 VAL B 35 22.125 12.765 -5.584 1.00 0.00 H new ATOM 462 N PHE B 36 21.642 10.962 -7.438 1.00 0.00 N ATOM 463 CA PHE B 36 21.196 9.674 -6.943 1.00 0.00 C ATOM 464 C PHE B 36 21.399 8.529 -7.922 1.00 0.00 C ATOM 465 O PHE B 36 21.832 7.452 -7.521 1.00 0.00 O ATOM 466 CB PHE B 36 19.770 9.749 -6.401 1.00 0.00 C ATOM 467 CG PHE B 36 19.690 10.311 -4.998 1.00 0.00 C ATOM 468 CD1 PHE B 36 19.663 11.699 -4.791 1.00 0.00 C ATOM 469 CD2 PHE B 36 19.646 9.439 -3.898 1.00 0.00 C ATOM 470 CE1 PHE B 36 19.597 12.217 -3.493 1.00 0.00 C ATOM 471 CE2 PHE B 36 19.575 9.961 -2.598 1.00 0.00 C ATOM 472 CZ PHE B 36 19.544 11.348 -2.397 1.00 0.00 C ATOM 0 H PHE B 36 20.893 11.587 -7.735 1.00 0.00 H new ATOM 0 HA PHE B 36 21.850 9.430 -6.106 1.00 0.00 H new ATOM 0 HB2 PHE B 36 19.168 10.367 -7.067 1.00 0.00 H new ATOM 0 HB3 PHE B 36 19.333 8.751 -6.410 1.00 0.00 H new ATOM 0 HD1 PHE B 36 19.693 12.370 -5.637 1.00 0.00 H new ATOM 0 HD2 PHE B 36 19.667 8.370 -4.052 1.00 0.00 H new ATOM 0 HE1 PHE B 36 19.587 13.286 -3.337 1.00 0.00 H new ATOM 0 HE2 PHE B 36 19.544 9.293 -1.750 1.00 0.00 H new ATOM 0 HZ PHE B 36 19.479 11.747 -1.395 1.00 0.00 H new ATOM 482 N SER B 37 21.095 8.744 -9.209 1.00 0.00 N ATOM 483 CA SER B 37 21.291 7.698 -10.206 1.00 0.00 C ATOM 484 C SER B 37 22.781 7.417 -10.401 1.00 0.00 C ATOM 485 O SER B 37 23.153 6.344 -10.873 1.00 0.00 O ATOM 486 CB SER B 37 20.650 8.094 -11.531 1.00 0.00 C ATOM 487 OG SER B 37 21.319 9.202 -12.091 1.00 0.00 O ATOM 0 H SER B 37 20.719 9.619 -9.574 1.00 0.00 H new ATOM 0 HA SER B 37 20.810 6.788 -9.847 1.00 0.00 H new ATOM 0 HB2 SER B 37 20.684 7.253 -12.224 1.00 0.00 H new ATOM 0 HB3 SER B 37 19.599 8.337 -11.375 1.00 0.00 H new ATOM 0 HG SER B 37 20.887 10.030 -11.794 1.00 0.00 H new ATOM 493 N LYS B 38 23.639 8.378 -10.037 1.00 0.00 N ATOM 494 CA LYS B 38 25.077 8.165 -10.037 1.00 0.00 C ATOM 495 C LYS B 38 25.473 7.281 -8.858 1.00 0.00 C ATOM 496 O LYS B 38 26.367 6.443 -8.981 1.00 0.00 O ATOM 497 CB LYS B 38 25.780 9.530 -9.975 1.00 0.00 C ATOM 498 CG LYS B 38 27.305 9.393 -9.870 1.00 0.00 C ATOM 499 CD LYS B 38 27.880 8.678 -11.093 1.00 0.00 C ATOM 500 CE LYS B 38 29.403 8.594 -10.993 1.00 0.00 C ATOM 501 NZ LYS B 38 30.023 9.934 -11.023 1.00 0.00 N ATOM 0 H LYS B 38 23.353 9.311 -9.739 1.00 0.00 H new ATOM 0 HA LYS B 38 25.383 7.654 -10.950 1.00 0.00 H new ATOM 0 HB2 LYS B 38 25.529 10.107 -10.865 1.00 0.00 H new ATOM 0 HB3 LYS B 38 25.407 10.090 -9.117 1.00 0.00 H new ATOM 0 HG2 LYS B 38 27.756 10.381 -9.777 1.00 0.00 H new ATOM 0 HG3 LYS B 38 27.562 8.839 -8.967 1.00 0.00 H new ATOM 0 HD2 LYS B 38 27.458 7.676 -11.168 1.00 0.00 H new ATOM 0 HD3 LYS B 38 27.597 9.212 -12.001 1.00 0.00 H new ATOM 0 HE2 LYS B 38 29.680 8.084 -10.070 1.00 0.00 H new ATOM 0 HE3 LYS B 38 29.790 7.995 -11.817 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 31.039 9.842 -11.226 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 29.573 10.508 -11.764 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 29.895 10.397 -10.100 1.00 0.00 H new ATOM 515 N TYR B 39 24.802 7.461 -7.716 1.00 0.00 N ATOM 516 CA TYR B 39 25.053 6.658 -6.527 1.00 0.00 C ATOM 517 C TYR B 39 24.370 5.288 -6.466 1.00 0.00 C ATOM 518 O TYR B 39 24.718 4.485 -5.599 1.00 0.00 O ATOM 519 CB TYR B 39 24.785 7.471 -5.262 1.00 0.00 C ATOM 520 CG TYR B 39 25.973 8.280 -4.794 1.00 0.00 C ATOM 521 CD1 TYR B 39 26.459 9.349 -5.566 1.00 0.00 C ATOM 522 CD2 TYR B 39 26.594 7.946 -3.583 1.00 0.00 C ATOM 523 CE1 TYR B 39 27.562 10.092 -5.115 1.00 0.00 C ATOM 524 CE2 TYR B 39 27.693 8.688 -3.126 1.00 0.00 C ATOM 525 CZ TYR B 39 28.181 9.761 -3.892 1.00 0.00 C ATOM 526 OH TYR B 39 29.250 10.484 -3.453 1.00 0.00 O ATOM 0 H TYR B 39 24.074 8.165 -7.595 1.00 0.00 H new ATOM 0 HA TYR B 39 26.111 6.406 -6.596 1.00 0.00 H new ATOM 0 HB2 TYR B 39 23.948 8.145 -5.445 1.00 0.00 H new ATOM 0 HB3 TYR B 39 24.481 6.794 -4.464 1.00 0.00 H new ATOM 0 HD1 TYR B 39 25.985 9.599 -6.504 1.00 0.00 H new ATOM 0 HD2 TYR B 39 26.225 7.115 -3.000 1.00 0.00 H new ATOM 0 HE1 TYR B 39 27.936 10.916 -5.704 1.00 0.00 H new ATOM 0 HE2 TYR B 39 28.164 8.435 -2.187 1.00 0.00 H new ATOM 0 HH TYR B 39 29.557 10.126 -2.594 1.00 0.00 H new ATOM 536 N GLY B 40 23.417 4.999 -7.359 1.00 0.00 N ATOM 537 CA GLY B 40 22.738 3.712 -7.321 1.00 0.00 C ATOM 538 C GLY B 40 21.703 3.551 -8.427 1.00 0.00 C ATOM 539 O GLY B 40 21.491 4.455 -9.236 1.00 0.00 O ATOM 0 H GLY B 40 23.108 5.628 -8.100 1.00 0.00 H new ATOM 0 HA2 GLY B 40 23.477 2.915 -7.404 1.00 0.00 H new ATOM 0 HA3 GLY B 40 22.249 3.594 -6.354 1.00 0.00 H new ATOM 543 N ALA B 41 21.058 2.382 -8.451 1.00 0.00 N ATOM 544 CA ALA B 41 20.072 2.016 -9.456 1.00 0.00 C ATOM 545 C ALA B 41 18.693 2.598 -9.132 1.00 0.00 C ATOM 546 O ALA B 41 17.709 1.862 -9.072 1.00 0.00 O ATOM 547 CB ALA B 41 20.010 0.492 -9.561 1.00 0.00 C ATOM 0 H ALA B 41 21.214 1.652 -7.755 1.00 0.00 H new ATOM 0 HA ALA B 41 20.375 2.436 -10.415 1.00 0.00 H new ATOM 0 HB1 ALA B 41 19.273 0.209 -10.312 1.00 0.00 H new ATOM 0 HB2 ALA B 41 20.988 0.107 -9.849 1.00 0.00 H new ATOM 0 HB3 ALA B 41 19.724 0.072 -8.596 1.00 0.00 H new ATOM 553 N ILE B 42 18.609 3.914 -8.918 1.00 0.00 N ATOM 554 CA ILE B 42 17.341 4.574 -8.640 1.00 0.00 C ATOM 555 C ILE B 42 16.465 4.551 -9.889 1.00 0.00 C ATOM 556 O ILE B 42 16.972 4.667 -11.009 1.00 0.00 O ATOM 557 CB ILE B 42 17.580 6.017 -8.169 1.00 0.00 C ATOM 558 CG1 ILE B 42 18.096 6.048 -6.728 1.00 0.00 C ATOM 559 CG2 ILE B 42 16.278 6.821 -8.216 1.00 0.00 C ATOM 560 CD1 ILE B 42 19.512 5.495 -6.637 1.00 0.00 C ATOM 0 H ILE B 42 19.412 4.542 -8.933 1.00 0.00 H new ATOM 0 HA ILE B 42 16.827 4.039 -7.841 1.00 0.00 H new ATOM 0 HB ILE B 42 18.321 6.453 -8.838 1.00 0.00 H new ATOM 0 HG12 ILE B 42 18.078 7.072 -6.355 1.00 0.00 H new ATOM 0 HG13 ILE B 42 17.433 5.464 -6.089 1.00 0.00 H new ATOM 0 HG21 ILE B 42 16.467 7.840 -7.879 1.00 0.00 H new ATOM 0 HG22 ILE B 42 15.900 6.841 -9.238 1.00 0.00 H new ATOM 0 HG23 ILE B 42 15.539 6.355 -7.565 1.00 0.00 H new ATOM 0 HD11 ILE B 42 19.851 5.530 -5.602 1.00 0.00 H new ATOM 0 HD12 ILE B 42 19.523 4.463 -6.987 1.00 0.00 H new ATOM 0 HD13 ILE B 42 20.178 6.096 -7.257 1.00 0.00 H new ATOM 572 N ARG B 43 15.149 4.404 -9.700 1.00 0.00 N ATOM 573 CA ARG B 43 14.203 4.404 -10.807 1.00 0.00 C ATOM 574 C ARG B 43 13.119 5.456 -10.604 1.00 0.00 C ATOM 575 O ARG B 43 12.684 6.069 -11.575 1.00 0.00 O ATOM 576 CB ARG B 43 13.580 3.011 -10.952 1.00 0.00 C ATOM 577 CG ARG B 43 14.648 1.936 -11.175 1.00 0.00 C ATOM 578 CD ARG B 43 15.416 2.182 -12.474 1.00 0.00 C ATOM 579 NE ARG B 43 16.476 1.189 -12.652 1.00 0.00 N ATOM 580 CZ ARG B 43 17.769 1.479 -12.816 1.00 0.00 C ATOM 581 NH1 ARG B 43 18.203 2.737 -12.793 1.00 0.00 N ATOM 582 NH2 ARG B 43 18.639 0.491 -13.007 1.00 0.00 N ATOM 0 H ARG B 43 14.719 4.283 -8.783 1.00 0.00 H new ATOM 0 HA ARG B 43 14.739 4.654 -11.722 1.00 0.00 H new ATOM 0 HB2 ARG B 43 13.006 2.774 -10.057 1.00 0.00 H new ATOM 0 HB3 ARG B 43 12.881 3.010 -11.789 1.00 0.00 H new ATOM 0 HG2 ARG B 43 15.342 1.929 -10.335 1.00 0.00 H new ATOM 0 HG3 ARG B 43 14.178 0.953 -11.208 1.00 0.00 H new ATOM 0 HD2 ARG B 43 14.730 2.142 -13.320 1.00 0.00 H new ATOM 0 HD3 ARG B 43 15.848 3.183 -12.461 1.00 0.00 H new ATOM 0 HE ARG B 43 16.208 0.205 -12.651 1.00 0.00 H new ATOM 0 HH11 ARG B 43 17.543 3.501 -12.648 1.00 0.00 H new ATOM 0 HH12 ARG B 43 19.195 2.937 -12.920 1.00 0.00 H new ATOM 0 HH21 ARG B 43 18.316 -0.476 -13.027 1.00 0.00 H new ATOM 0 HH22 ARG B 43 19.629 0.701 -13.133 1.00 0.00 H new ATOM 596 N ASP B 44 12.687 5.672 -9.358 1.00 0.00 N ATOM 597 CA ASP B 44 11.627 6.634 -9.063 1.00 0.00 C ATOM 598 C ASP B 44 12.037 7.724 -8.080 1.00 0.00 C ATOM 599 O ASP B 44 12.884 7.504 -7.215 1.00 0.00 O ATOM 600 CB ASP B 44 10.342 5.931 -8.610 1.00 0.00 C ATOM 601 CG ASP B 44 9.550 5.295 -9.754 1.00 0.00 C ATOM 602 OD1 ASP B 44 10.075 5.248 -10.888 1.00 0.00 O ATOM 603 OD2 ASP B 44 8.410 4.861 -9.473 1.00 0.00 O ATOM 0 H ASP B 44 13.057 5.192 -8.538 1.00 0.00 H new ATOM 0 HA ASP B 44 11.428 7.146 -10.005 1.00 0.00 H new ATOM 0 HB2 ASP B 44 10.598 5.159 -7.884 1.00 0.00 H new ATOM 0 HB3 ASP B 44 9.706 6.652 -8.097 1.00 0.00 H new ATOM 608 N ILE B 45 11.422 8.903 -8.231 1.00 0.00 N ATOM 609 CA ILE B 45 11.653 10.060 -7.383 1.00 0.00 C ATOM 610 C ILE B 45 10.314 10.701 -7.035 1.00 0.00 C ATOM 611 O ILE B 45 9.367 10.633 -7.819 1.00 0.00 O ATOM 612 CB ILE B 45 12.584 11.068 -8.089 1.00 0.00 C ATOM 613 CG1 ILE B 45 14.046 10.628 -7.987 1.00 0.00 C ATOM 614 CG2 ILE B 45 12.470 12.454 -7.439 1.00 0.00 C ATOM 615 CD1 ILE B 45 14.475 9.853 -9.235 1.00 0.00 C ATOM 0 H ILE B 45 10.735 9.075 -8.966 1.00 0.00 H new ATOM 0 HA ILE B 45 12.144 9.746 -6.462 1.00 0.00 H new ATOM 0 HB ILE B 45 12.278 11.110 -9.134 1.00 0.00 H new ATOM 0 HG12 ILE B 45 14.684 11.502 -7.860 1.00 0.00 H new ATOM 0 HG13 ILE B 45 14.181 10.004 -7.103 1.00 0.00 H new ATOM 0 HG21 ILE B 45 13.134 13.151 -7.950 1.00 0.00 H new ATOM 0 HG22 ILE B 45 11.442 12.809 -7.516 1.00 0.00 H new ATOM 0 HG23 ILE B 45 12.753 12.388 -6.388 1.00 0.00 H new ATOM 0 HD11 ILE B 45 15.518 9.552 -9.136 1.00 0.00 H new ATOM 0 HD12 ILE B 45 13.851 8.966 -9.345 1.00 0.00 H new ATOM 0 HD13 ILE B 45 14.362 10.488 -10.114 1.00 0.00 H new ATOM 627 N ASP B 46 10.232 11.329 -5.860 1.00 0.00 N ATOM 628 CA ASP B 46 9.020 12.005 -5.424 1.00 0.00 C ATOM 629 C ASP B 46 9.393 13.225 -4.581 1.00 0.00 C ATOM 630 O ASP B 46 9.077 13.293 -3.393 1.00 0.00 O ATOM 631 CB ASP B 46 8.152 11.016 -4.646 1.00 0.00 C ATOM 632 CG ASP B 46 6.775 11.588 -4.313 1.00 0.00 C ATOM 633 OD1 ASP B 46 6.026 10.887 -3.597 1.00 0.00 O ATOM 634 OD2 ASP B 46 6.482 12.715 -4.774 1.00 0.00 O ATOM 0 H ASP B 46 11.001 11.380 -5.192 1.00 0.00 H new ATOM 0 HA ASP B 46 8.446 12.359 -6.281 1.00 0.00 H new ATOM 0 HB2 ASP B 46 8.032 10.104 -5.230 1.00 0.00 H new ATOM 0 HB3 ASP B 46 8.660 10.738 -3.723 1.00 0.00 H new ATOM 639 N LEU B 47 10.076 14.193 -5.203 1.00 0.00 N ATOM 640 CA LEU B 47 10.376 15.469 -4.572 1.00 0.00 C ATOM 641 C LEU B 47 9.081 16.231 -4.288 1.00 0.00 C ATOM 642 O LEU B 47 8.250 16.392 -5.184 1.00 0.00 O ATOM 643 CB LEU B 47 11.312 16.270 -5.483 1.00 0.00 C ATOM 644 CG LEU B 47 11.512 17.708 -4.988 1.00 0.00 C ATOM 645 CD1 LEU B 47 12.213 17.730 -3.632 1.00 0.00 C ATOM 646 CD2 LEU B 47 12.377 18.469 -5.989 1.00 0.00 C ATOM 0 H LEU B 47 10.432 14.108 -6.155 1.00 0.00 H new ATOM 0 HA LEU B 47 10.877 15.306 -3.618 1.00 0.00 H new ATOM 0 HB2 LEU B 47 12.278 15.769 -5.539 1.00 0.00 H new ATOM 0 HB3 LEU B 47 10.904 16.289 -6.494 1.00 0.00 H new ATOM 0 HG LEU B 47 10.531 18.173 -4.889 1.00 0.00 H new ATOM 0 HD11 LEU B 47 12.342 18.762 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU B 47 11.610 17.191 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU B 47 13.189 17.253 -3.719 1.00 0.00 H new ATOM 0 HD21 LEU B 47 12.522 19.492 -5.641 1.00 0.00 H new ATOM 0 HD22 LEU B 47 13.345 17.977 -6.081 1.00 0.00 H new ATOM 0 HD23 LEU B 47 11.883 18.483 -6.960 1.00 0.00 H new ATOM 658 N LYS B 48 8.915 16.697 -3.045 1.00 0.00 N ATOM 659 CA LYS B 48 7.758 17.461 -2.620 1.00 0.00 C ATOM 660 C LYS B 48 8.196 18.832 -2.115 1.00 0.00 C ATOM 661 O LYS B 48 9.278 18.968 -1.541 1.00 0.00 O ATOM 662 CB LYS B 48 7.025 16.685 -1.526 1.00 0.00 C ATOM 663 CG LYS B 48 6.496 15.354 -2.065 1.00 0.00 C ATOM 664 CD LYS B 48 5.761 14.592 -0.962 1.00 0.00 C ATOM 665 CE LYS B 48 5.426 13.166 -1.417 1.00 0.00 C ATOM 666 NZ LYS B 48 4.530 13.169 -2.589 1.00 0.00 N ATOM 0 H LYS B 48 9.597 16.546 -2.302 1.00 0.00 H new ATOM 0 HA LYS B 48 7.082 17.612 -3.462 1.00 0.00 H new ATOM 0 HB2 LYS B 48 7.700 16.501 -0.690 1.00 0.00 H new ATOM 0 HB3 LYS B 48 6.197 17.282 -1.143 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.823 15.535 -2.903 1.00 0.00 H new ATOM 0 HG3 LYS B 48 7.322 14.753 -2.444 1.00 0.00 H new ATOM 0 HD2 LYS B 48 6.378 14.557 -0.064 1.00 0.00 H new ATOM 0 HD3 LYS B 48 4.844 15.119 -0.698 1.00 0.00 H new ATOM 0 HE2 LYS B 48 6.346 12.636 -1.662 1.00 0.00 H new ATOM 0 HE3 LYS B 48 4.954 12.623 -0.598 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 4.031 12.258 -2.647 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 3.836 13.938 -2.494 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 5.090 13.313 -3.454 1.00 0.00 H new ATOM 680 N ASN B 49 7.355 19.844 -2.332 1.00 0.00 N ATOM 681 CA ASN B 49 7.669 21.223 -1.981 1.00 0.00 C ATOM 682 C ASN B 49 6.796 21.709 -0.827 1.00 0.00 C ATOM 683 O ASN B 49 5.842 21.034 -0.441 1.00 0.00 O ATOM 684 CB ASN B 49 7.492 22.117 -3.213 1.00 0.00 C ATOM 685 CG ASN B 49 8.401 21.692 -4.360 1.00 0.00 C ATOM 686 OD1 ASN B 49 9.448 21.090 -4.145 1.00 0.00 O ATOM 687 ND2 ASN B 49 8.002 22.005 -5.592 1.00 0.00 N ATOM 0 H ASN B 49 6.435 19.727 -2.757 1.00 0.00 H new ATOM 0 HA ASN B 49 8.706 21.274 -1.649 1.00 0.00 H new ATOM 0 HB2 ASN B 49 6.453 22.081 -3.541 1.00 0.00 H new ATOM 0 HB3 ASN B 49 7.706 23.151 -2.944 1.00 0.00 H new ATOM 0 HD21 ASN B 49 8.574 21.743 -6.395 1.00 0.00 H new ATOM 0 HD22 ASN B 49 7.125 22.506 -5.732 1.00 0.00 H new ATOM 770 N PRO B 55 11.747 21.668 1.815 1.00 0.00 N ATOM 771 CA PRO B 55 11.303 20.599 0.938 1.00 0.00 C ATOM 772 C PRO B 55 11.946 19.274 1.345 1.00 0.00 C ATOM 773 O PRO B 55 12.987 19.255 2.004 1.00 0.00 O ATOM 774 CB PRO B 55 11.716 21.017 -0.471 1.00 0.00 C ATOM 775 CG PRO B 55 12.845 22.028 -0.255 1.00 0.00 C ATOM 776 CD PRO B 55 12.530 22.653 1.103 1.00 0.00 C ATOM 0 HA PRO B 55 10.225 20.445 0.995 1.00 0.00 H new ATOM 0 HB2 PRO B 55 12.055 20.162 -1.055 1.00 0.00 H new ATOM 0 HB3 PRO B 55 10.882 21.463 -1.013 1.00 0.00 H new ATOM 0 HG2 PRO B 55 13.821 21.542 -0.254 1.00 0.00 H new ATOM 0 HG3 PRO B 55 12.864 22.779 -1.045 1.00 0.00 H new ATOM 0 HD2 PRO B 55 13.445 22.893 1.645 1.00 0.00 H new ATOM 0 HD3 PRO B 55 11.975 23.584 0.986 1.00 0.00 H new ATOM 784 N PHE B 56 11.324 18.162 0.949 1.00 0.00 N ATOM 785 CA PHE B 56 11.817 16.829 1.274 1.00 0.00 C ATOM 786 C PHE B 56 11.355 15.934 0.127 1.00 0.00 C ATOM 787 O PHE B 56 10.523 16.340 -0.686 1.00 0.00 O ATOM 788 CB PHE B 56 11.201 16.377 2.603 1.00 0.00 C ATOM 789 CG PHE B 56 9.873 15.660 2.487 1.00 0.00 C ATOM 790 CD1 PHE B 56 8.713 16.365 2.138 1.00 0.00 C ATOM 791 CD2 PHE B 56 9.802 14.284 2.745 1.00 0.00 C ATOM 792 CE1 PHE B 56 7.484 15.695 2.050 1.00 0.00 C ATOM 793 CE2 PHE B 56 8.571 13.616 2.688 1.00 0.00 C ATOM 794 CZ PHE B 56 7.418 14.320 2.322 1.00 0.00 C ATOM 0 H PHE B 56 10.467 18.163 0.396 1.00 0.00 H new ATOM 0 HA PHE B 56 12.901 16.795 1.386 1.00 0.00 H new ATOM 0 HB2 PHE B 56 11.908 15.719 3.108 1.00 0.00 H new ATOM 0 HB3 PHE B 56 11.069 17.252 3.240 1.00 0.00 H new ATOM 0 HD1 PHE B 56 8.766 17.425 1.937 1.00 0.00 H new ATOM 0 HD2 PHE B 56 10.700 13.736 2.989 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.591 16.236 1.774 1.00 0.00 H new ATOM 0 HE2 PHE B 56 8.513 12.564 2.925 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.473 13.802 2.249 1.00 0.00 H new ATOM 804 N ALA B 57 11.887 14.713 0.051 1.00 0.00 N ATOM 805 CA ALA B 57 11.640 13.863 -1.100 1.00 0.00 C ATOM 806 C ALA B 57 11.733 12.382 -0.759 1.00 0.00 C ATOM 807 O ALA B 57 12.236 11.999 0.299 1.00 0.00 O ATOM 808 CB ALA B 57 12.664 14.204 -2.181 1.00 0.00 C ATOM 0 H ALA B 57 12.484 14.300 0.767 1.00 0.00 H new ATOM 0 HA ALA B 57 10.624 14.048 -1.448 1.00 0.00 H new ATOM 0 HB1 ALA B 57 12.494 13.575 -3.055 1.00 0.00 H new ATOM 0 HB2 ALA B 57 12.560 15.252 -2.463 1.00 0.00 H new ATOM 0 HB3 ALA B 57 13.669 14.029 -1.798 1.00 0.00 H new ATOM 814 N PHE B 58 11.239 11.554 -1.681 1.00 0.00 N ATOM 815 CA PHE B 58 11.397 10.112 -1.646 1.00 0.00 C ATOM 816 C PHE B 58 12.113 9.567 -2.873 1.00 0.00 C ATOM 817 O PHE B 58 12.065 10.172 -3.943 1.00 0.00 O ATOM 818 CB PHE B 58 10.062 9.413 -1.386 1.00 0.00 C ATOM 819 CG PHE B 58 9.840 9.076 0.068 1.00 0.00 C ATOM 820 CD1 PHE B 58 9.561 10.082 1.004 1.00 0.00 C ATOM 821 CD2 PHE B 58 9.930 7.740 0.478 1.00 0.00 C ATOM 822 CE1 PHE B 58 9.387 9.748 2.353 1.00 0.00 C ATOM 823 CE2 PHE B 58 9.766 7.410 1.827 1.00 0.00 C ATOM 824 CZ PHE B 58 9.491 8.411 2.764 1.00 0.00 C ATOM 0 H PHE B 58 10.707 11.881 -2.488 1.00 0.00 H new ATOM 0 HA PHE B 58 12.050 9.884 -0.803 1.00 0.00 H new ATOM 0 HB2 PHE B 58 9.251 10.054 -1.732 1.00 0.00 H new ATOM 0 HB3 PHE B 58 10.018 8.497 -1.975 1.00 0.00 H new ATOM 0 HD1 PHE B 58 9.481 11.111 0.686 1.00 0.00 H new ATOM 0 HD2 PHE B 58 10.126 6.965 -0.248 1.00 0.00 H new ATOM 0 HE1 PHE B 58 9.173 10.520 3.077 1.00 0.00 H new ATOM 0 HE2 PHE B 58 9.852 6.382 2.145 1.00 0.00 H new ATOM 0 HZ PHE B 58 9.359 8.154 3.805 1.00 0.00 H new ATOM 834 N VAL B 59 12.770 8.419 -2.707 1.00 0.00 N ATOM 835 CA VAL B 59 13.537 7.782 -3.763 1.00 0.00 C ATOM 836 C VAL B 59 13.331 6.276 -3.675 1.00 0.00 C ATOM 837 O VAL B 59 13.214 5.730 -2.578 1.00 0.00 O ATOM 838 CB VAL B 59 15.017 8.147 -3.604 1.00 0.00 C ATOM 839 CG1 VAL B 59 15.859 7.397 -4.629 1.00 0.00 C ATOM 840 CG2 VAL B 59 15.231 9.652 -3.797 1.00 0.00 C ATOM 0 H VAL B 59 12.781 7.905 -1.826 1.00 0.00 H new ATOM 0 HA VAL B 59 13.204 8.126 -4.742 1.00 0.00 H new ATOM 0 HB VAL B 59 15.322 7.866 -2.596 1.00 0.00 H new ATOM 0 HG11 VAL B 59 16.908 7.666 -4.505 1.00 0.00 H new ATOM 0 HG12 VAL B 59 15.740 6.324 -4.483 1.00 0.00 H new ATOM 0 HG13 VAL B 59 15.533 7.665 -5.634 1.00 0.00 H new ATOM 0 HG21 VAL B 59 16.289 9.887 -3.679 1.00 0.00 H new ATOM 0 HG22 VAL B 59 14.904 9.941 -4.796 1.00 0.00 H new ATOM 0 HG23 VAL B 59 14.653 10.200 -3.053 1.00 0.00 H new ATOM 850 N GLU B 60 13.288 5.601 -4.827 1.00 0.00 N ATOM 851 CA GLU B 60 13.054 4.167 -4.886 1.00 0.00 C ATOM 852 C GLU B 60 14.080 3.478 -5.778 1.00 0.00 C ATOM 853 O GLU B 60 14.257 3.852 -6.942 1.00 0.00 O ATOM 854 CB GLU B 60 11.619 3.914 -5.357 1.00 0.00 C ATOM 855 CG GLU B 60 11.365 2.484 -5.857 1.00 0.00 C ATOM 856 CD GLU B 60 11.559 1.413 -4.778 1.00 0.00 C ATOM 857 OE1 GLU B 60 12.120 1.746 -3.712 1.00 0.00 O ATOM 858 OE2 GLU B 60 11.137 0.265 -5.036 1.00 0.00 O ATOM 0 H GLU B 60 13.415 6.038 -5.740 1.00 0.00 H new ATOM 0 HA GLU B 60 13.174 3.737 -3.892 1.00 0.00 H new ATOM 0 HB2 GLU B 60 10.936 4.127 -4.535 1.00 0.00 H new ATOM 0 HB3 GLU B 60 11.382 4.615 -6.158 1.00 0.00 H new ATOM 0 HG2 GLU B 60 10.348 2.418 -6.243 1.00 0.00 H new ATOM 0 HG3 GLU B 60 12.036 2.275 -6.690 1.00 0.00 H new ATOM 865 N PHE B 61 14.747 2.473 -5.207 1.00 0.00 N ATOM 866 CA PHE B 61 15.785 1.702 -5.875 1.00 0.00 C ATOM 867 C PHE B 61 15.269 0.452 -6.587 1.00 0.00 C ATOM 868 O PHE B 61 14.262 -0.125 -6.176 1.00 0.00 O ATOM 869 CB PHE B 61 16.876 1.314 -4.867 1.00 0.00 C ATOM 870 CG PHE B 61 17.752 2.455 -4.398 1.00 0.00 C ATOM 871 CD1 PHE B 61 19.130 2.435 -4.668 1.00 0.00 C ATOM 872 CD2 PHE B 61 17.201 3.527 -3.678 1.00 0.00 C ATOM 873 CE1 PHE B 61 19.951 3.477 -4.220 1.00 0.00 C ATOM 874 CE2 PHE B 61 18.019 4.574 -3.239 1.00 0.00 C ATOM 875 CZ PHE B 61 19.396 4.547 -3.501 1.00 0.00 C ATOM 0 H PHE B 61 14.574 2.170 -4.249 1.00 0.00 H new ATOM 0 HA PHE B 61 16.192 2.349 -6.652 1.00 0.00 H new ATOM 0 HB2 PHE B 61 16.401 0.860 -3.997 1.00 0.00 H new ATOM 0 HB3 PHE B 61 17.511 0.551 -5.318 1.00 0.00 H new ATOM 0 HD1 PHE B 61 19.558 1.613 -5.223 1.00 0.00 H new ATOM 0 HD2 PHE B 61 16.143 3.544 -3.462 1.00 0.00 H new ATOM 0 HE1 PHE B 61 21.011 3.457 -4.428 1.00 0.00 H new ATOM 0 HE2 PHE B 61 17.589 5.404 -2.698 1.00 0.00 H new ATOM 0 HZ PHE B 61 20.029 5.349 -3.150 1.00 0.00 H new ATOM 885 N GLU B 62 15.956 0.029 -7.652 1.00 0.00 N ATOM 886 CA GLU B 62 15.702 -1.272 -8.266 1.00 0.00 C ATOM 887 C GLU B 62 16.453 -2.355 -7.483 1.00 0.00 C ATOM 888 O GLU B 62 16.069 -3.522 -7.501 1.00 0.00 O ATOM 889 CB GLU B 62 16.165 -1.244 -9.725 1.00 0.00 C ATOM 890 CG GLU B 62 15.965 -2.616 -10.379 1.00 0.00 C ATOM 891 CD GLU B 62 16.352 -2.616 -11.860 1.00 0.00 C ATOM 892 OE1 GLU B 62 16.247 -3.701 -12.477 1.00 0.00 O ATOM 893 OE2 GLU B 62 16.750 -1.540 -12.366 1.00 0.00 O ATOM 0 H GLU B 62 16.692 0.571 -8.105 1.00 0.00 H new ATOM 0 HA GLU B 62 14.635 -1.495 -8.242 1.00 0.00 H new ATOM 0 HB2 GLU B 62 15.606 -0.487 -10.275 1.00 0.00 H new ATOM 0 HB3 GLU B 62 17.217 -0.961 -9.773 1.00 0.00 H new ATOM 0 HG2 GLU B 62 16.562 -3.359 -9.850 1.00 0.00 H new ATOM 0 HG3 GLU B 62 14.922 -2.915 -10.278 1.00 0.00 H new ATOM 900 N ASP B 63 17.528 -1.955 -6.798 1.00 0.00 N ATOM 901 CA ASP B 63 18.388 -2.864 -6.058 1.00 0.00 C ATOM 902 C ASP B 63 19.050 -2.123 -4.889 1.00 0.00 C ATOM 903 O ASP B 63 19.847 -1.214 -5.119 1.00 0.00 O ATOM 904 CB ASP B 63 19.421 -3.456 -7.024 1.00 0.00 C ATOM 905 CG ASP B 63 20.467 -4.319 -6.320 1.00 0.00 C ATOM 906 OD1 ASP B 63 21.471 -4.657 -6.988 1.00 0.00 O ATOM 907 OD2 ASP B 63 20.256 -4.639 -5.128 1.00 0.00 O ATOM 0 H ASP B 63 17.823 -0.980 -6.745 1.00 0.00 H new ATOM 0 HA ASP B 63 17.807 -3.681 -5.631 1.00 0.00 H new ATOM 0 HB2 ASP B 63 18.907 -4.057 -7.774 1.00 0.00 H new ATOM 0 HB3 ASP B 63 19.922 -2.646 -7.553 1.00 0.00 H new ATOM 912 N PRO B 64 18.734 -2.501 -3.640 1.00 0.00 N ATOM 913 CA PRO B 64 19.189 -1.800 -2.447 1.00 0.00 C ATOM 914 C PRO B 64 20.666 -2.062 -2.133 1.00 0.00 C ATOM 915 O PRO B 64 21.187 -1.514 -1.161 1.00 0.00 O ATOM 916 CB PRO B 64 18.294 -2.319 -1.317 1.00 0.00 C ATOM 917 CG PRO B 64 17.913 -3.725 -1.778 1.00 0.00 C ATOM 918 CD PRO B 64 17.874 -3.618 -3.299 1.00 0.00 C ATOM 0 HA PRO B 64 19.116 -0.721 -2.581 1.00 0.00 H new ATOM 0 HB2 PRO B 64 18.822 -2.339 -0.364 1.00 0.00 H new ATOM 0 HB3 PRO B 64 17.415 -1.690 -1.181 1.00 0.00 H new ATOM 0 HG2 PRO B 64 18.643 -4.464 -1.449 1.00 0.00 H new ATOM 0 HG3 PRO B 64 16.947 -4.029 -1.375 1.00 0.00 H new ATOM 0 HD2 PRO B 64 18.226 -4.539 -3.765 1.00 0.00 H new ATOM 0 HD3 PRO B 64 16.857 -3.450 -3.653 1.00 0.00 H new ATOM 926 N ARG B 65 21.345 -2.891 -2.932 1.00 0.00 N ATOM 927 CA ARG B 65 22.733 -3.274 -2.679 1.00 0.00 C ATOM 928 C ARG B 65 23.715 -2.114 -2.856 1.00 0.00 C ATOM 929 O ARG B 65 24.916 -2.295 -2.660 1.00 0.00 O ATOM 930 CB ARG B 65 23.107 -4.451 -3.580 1.00 0.00 C ATOM 931 CG ARG B 65 22.361 -5.707 -3.125 1.00 0.00 C ATOM 932 CD ARG B 65 22.567 -6.830 -4.144 1.00 0.00 C ATOM 933 NE ARG B 65 21.866 -8.055 -3.735 1.00 0.00 N ATOM 934 CZ ARG B 65 20.545 -8.235 -3.854 1.00 0.00 C ATOM 935 NH1 ARG B 65 19.772 -7.271 -4.348 1.00 0.00 N ATOM 936 NH2 ARG B 65 19.996 -9.386 -3.476 1.00 0.00 N ATOM 0 H ARG B 65 20.947 -3.314 -3.770 1.00 0.00 H new ATOM 0 HA ARG B 65 22.808 -3.572 -1.633 1.00 0.00 H new ATOM 0 HB2 ARG B 65 22.856 -4.223 -4.616 1.00 0.00 H new ATOM 0 HB3 ARG B 65 24.183 -4.622 -3.543 1.00 0.00 H new ATOM 0 HG2 ARG B 65 22.723 -6.021 -2.146 1.00 0.00 H new ATOM 0 HG3 ARG B 65 21.298 -5.491 -3.018 1.00 0.00 H new ATOM 0 HD2 ARG B 65 22.204 -6.509 -5.121 1.00 0.00 H new ATOM 0 HD3 ARG B 65 23.632 -7.036 -4.251 1.00 0.00 H new ATOM 0 HE ARG B 65 22.419 -8.814 -3.337 1.00 0.00 H new ATOM 0 HH11 ARG B 65 20.185 -6.385 -4.640 1.00 0.00 H new ATOM 0 HH12 ARG B 65 18.766 -7.418 -4.435 1.00 0.00 H new ATOM 0 HH21 ARG B 65 20.581 -10.130 -3.096 1.00 0.00 H new ATOM 0 HH22 ARG B 65 18.990 -9.525 -3.566 1.00 0.00 H new ATOM 950 N ASP B 66 23.220 -0.927 -3.218 1.00 0.00 N ATOM 951 CA ASP B 66 24.044 0.273 -3.286 1.00 0.00 C ATOM 952 C ASP B 66 23.363 1.480 -2.632 1.00 0.00 C ATOM 953 O ASP B 66 23.901 2.589 -2.645 1.00 0.00 O ATOM 954 CB ASP B 66 24.469 0.558 -4.733 1.00 0.00 C ATOM 955 CG ASP B 66 23.289 0.586 -5.702 1.00 0.00 C ATOM 956 OD1 ASP B 66 22.154 0.826 -5.238 1.00 0.00 O ATOM 957 OD2 ASP B 66 23.542 0.365 -6.910 1.00 0.00 O ATOM 0 H ASP B 66 22.243 -0.776 -3.470 1.00 0.00 H new ATOM 0 HA ASP B 66 24.949 0.088 -2.707 1.00 0.00 H new ATOM 0 HB2 ASP B 66 24.988 1.516 -4.772 1.00 0.00 H new ATOM 0 HB3 ASP B 66 25.179 -0.203 -5.055 1.00 0.00 H new ATOM 962 N ALA B 67 22.178 1.267 -2.049 1.00 0.00 N ATOM 963 CA ALA B 67 21.448 2.331 -1.378 1.00 0.00 C ATOM 964 C ALA B 67 22.180 2.754 -0.104 1.00 0.00 C ATOM 965 O ALA B 67 21.980 3.863 0.387 1.00 0.00 O ATOM 966 CB ALA B 67 20.036 1.842 -1.047 1.00 0.00 C ATOM 0 H ALA B 67 21.709 0.362 -2.032 1.00 0.00 H new ATOM 0 HA ALA B 67 21.383 3.198 -2.036 1.00 0.00 H new ATOM 0 HB1 ALA B 67 19.485 2.636 -0.544 1.00 0.00 H new ATOM 0 HB2 ALA B 67 19.520 1.569 -1.968 1.00 0.00 H new ATOM 0 HB3 ALA B 67 20.096 0.972 -0.393 1.00 0.00 H new ATOM 972 N GLU B 68 23.028 1.874 0.436 1.00 0.00 N ATOM 973 CA GLU B 68 23.800 2.182 1.632 1.00 0.00 C ATOM 974 C GLU B 68 24.873 3.222 1.312 1.00 0.00 C ATOM 975 O GLU B 68 25.265 3.994 2.187 1.00 0.00 O ATOM 976 CB GLU B 68 24.444 0.902 2.171 1.00 0.00 C ATOM 977 CG GLU B 68 23.364 -0.121 2.544 1.00 0.00 C ATOM 978 CD GLU B 68 23.967 -1.374 3.182 1.00 0.00 C ATOM 979 OE1 GLU B 68 25.216 -1.465 3.232 1.00 0.00 O ATOM 980 OE2 GLU B 68 23.164 -2.231 3.614 1.00 0.00 O ATOM 0 H GLU B 68 23.194 0.941 0.059 1.00 0.00 H new ATOM 0 HA GLU B 68 23.136 2.593 2.392 1.00 0.00 H new ATOM 0 HB2 GLU B 68 25.112 0.479 1.420 1.00 0.00 H new ATOM 0 HB3 GLU B 68 25.053 1.133 3.045 1.00 0.00 H new ATOM 0 HG2 GLU B 68 22.655 0.334 3.236 1.00 0.00 H new ATOM 0 HG3 GLU B 68 22.804 -0.401 1.652 1.00 0.00 H new ATOM 987 N ASP B 69 25.346 3.250 0.062 1.00 0.00 N ATOM 988 CA ASP B 69 26.337 4.221 -0.373 1.00 0.00 C ATOM 989 C ASP B 69 25.697 5.573 -0.672 1.00 0.00 C ATOM 990 O ASP B 69 26.298 6.617 -0.425 1.00 0.00 O ATOM 991 CB ASP B 69 27.079 3.692 -1.604 1.00 0.00 C ATOM 992 CG ASP B 69 27.937 2.464 -1.292 1.00 0.00 C ATOM 993 OD1 ASP B 69 28.490 1.898 -2.263 1.00 0.00 O ATOM 994 OD2 ASP B 69 28.033 2.102 -0.098 1.00 0.00 O ATOM 0 H ASP B 69 25.051 2.601 -0.668 1.00 0.00 H new ATOM 0 HA ASP B 69 27.051 4.368 0.438 1.00 0.00 H new ATOM 0 HB2 ASP B 69 26.355 3.438 -2.378 1.00 0.00 H new ATOM 0 HB3 ASP B 69 27.714 4.481 -2.008 1.00 0.00 H new ATOM 999 N ALA B 70 24.474 5.548 -1.203 1.00 0.00 N ATOM 1000 CA ALA B 70 23.716 6.757 -1.473 1.00 0.00 C ATOM 1001 C ALA B 70 23.276 7.409 -0.162 1.00 0.00 C ATOM 1002 O ALA B 70 23.036 8.614 -0.114 1.00 0.00 O ATOM 1003 CB ALA B 70 22.495 6.396 -2.324 1.00 0.00 C ATOM 0 H ALA B 70 23.987 4.688 -1.455 1.00 0.00 H new ATOM 0 HA ALA B 70 24.340 7.468 -2.014 1.00 0.00 H new ATOM 0 HB1 ALA B 70 21.918 7.297 -2.533 1.00 0.00 H new ATOM 0 HB2 ALA B 70 22.825 5.950 -3.263 1.00 0.00 H new ATOM 0 HB3 ALA B 70 21.872 5.684 -1.783 1.00 0.00 H new ATOM 1009 N VAL B 71 23.169 6.606 0.904 1.00 0.00 N ATOM 1010 CA VAL B 71 22.776 7.097 2.213 1.00 0.00 C ATOM 1011 C VAL B 71 24.023 7.607 2.933 1.00 0.00 C ATOM 1012 O VAL B 71 24.082 8.777 3.301 1.00 0.00 O ATOM 1013 CB VAL B 71 22.117 5.949 2.996 1.00 0.00 C ATOM 1014 CG1 VAL B 71 22.113 6.213 4.504 1.00 0.00 C ATOM 1015 CG2 VAL B 71 20.671 5.789 2.526 1.00 0.00 C ATOM 0 H VAL B 71 23.353 5.603 0.875 1.00 0.00 H new ATOM 0 HA VAL B 71 22.059 7.914 2.127 1.00 0.00 H new ATOM 0 HB VAL B 71 22.695 5.044 2.809 1.00 0.00 H new ATOM 0 HG11 VAL B 71 21.638 5.377 5.018 1.00 0.00 H new ATOM 0 HG12 VAL B 71 23.139 6.321 4.857 1.00 0.00 H new ATOM 0 HG13 VAL B 71 21.559 7.129 4.712 1.00 0.00 H new ATOM 0 HG21 VAL B 71 20.197 4.977 3.077 1.00 0.00 H new ATOM 0 HG22 VAL B 71 20.126 6.716 2.705 1.00 0.00 H new ATOM 0 HG23 VAL B 71 20.658 5.561 1.460 1.00 0.00 H new ATOM 1025 N SER B 72 25.017 6.739 3.132 1.00 0.00 N ATOM 1026 CA SER B 72 26.185 7.069 3.940 1.00 0.00 C ATOM 1027 C SER B 72 27.095 8.079 3.237 1.00 0.00 C ATOM 1028 O SER B 72 27.938 8.706 3.877 1.00 0.00 O ATOM 1029 CB SER B 72 26.942 5.774 4.246 1.00 0.00 C ATOM 1030 OG SER B 72 28.074 6.048 5.045 1.00 0.00 O ATOM 0 H SER B 72 25.033 5.797 2.740 1.00 0.00 H new ATOM 0 HA SER B 72 25.857 7.539 4.867 1.00 0.00 H new ATOM 0 HB2 SER B 72 26.285 5.073 4.761 1.00 0.00 H new ATOM 0 HB3 SER B 72 27.251 5.296 3.316 1.00 0.00 H new ATOM 0 HG SER B 72 28.550 5.213 5.236 1.00 0.00 H new ATOM 1036 N GLY B 73 26.935 8.238 1.919 1.00 0.00 N ATOM 1037 CA GLY B 73 27.776 9.118 1.130 1.00 0.00 C ATOM 1038 C GLY B 73 27.184 10.522 0.984 1.00 0.00 C ATOM 1039 O GLY B 73 27.760 11.347 0.274 1.00 0.00 O ATOM 0 H GLY B 73 26.217 7.757 1.378 1.00 0.00 H new ATOM 0 HA2 GLY B 73 28.759 9.189 1.595 1.00 0.00 H new ATOM 0 HA3 GLY B 73 27.922 8.684 0.141 1.00 0.00 H new ATOM 1043 N ARG B 74 26.051 10.809 1.637 1.00 0.00 N ATOM 1044 CA ARG B 74 25.382 12.093 1.443 1.00 0.00 C ATOM 1045 C ARG B 74 24.612 12.549 2.688 1.00 0.00 C ATOM 1046 O ARG B 74 24.258 13.720 2.789 1.00 0.00 O ATOM 1047 CB ARG B 74 24.456 11.970 0.232 1.00 0.00 C ATOM 1048 CG ARG B 74 23.803 13.308 -0.126 1.00 0.00 C ATOM 1049 CD ARG B 74 23.019 13.175 -1.433 1.00 0.00 C ATOM 1050 NE ARG B 74 23.914 12.885 -2.559 1.00 0.00 N ATOM 1051 CZ ARG B 74 23.791 11.830 -3.370 1.00 0.00 C ATOM 1052 NH1 ARG B 74 22.809 10.950 -3.202 1.00 0.00 N ATOM 1053 NH2 ARG B 74 24.661 11.654 -4.359 1.00 0.00 N ATOM 0 H ARG B 74 25.588 10.179 2.292 1.00 0.00 H new ATOM 0 HA ARG B 74 26.135 12.861 1.266 1.00 0.00 H new ATOM 0 HB2 ARG B 74 25.024 11.603 -0.623 1.00 0.00 H new ATOM 0 HB3 ARG B 74 23.681 11.232 0.441 1.00 0.00 H new ATOM 0 HG2 ARG B 74 23.137 13.623 0.677 1.00 0.00 H new ATOM 0 HG3 ARG B 74 24.567 14.079 -0.227 1.00 0.00 H new ATOM 0 HD2 ARG B 74 22.280 12.380 -1.338 1.00 0.00 H new ATOM 0 HD3 ARG B 74 22.472 14.097 -1.628 1.00 0.00 H new ATOM 0 HE ARG B 74 24.682 13.533 -2.735 1.00 0.00 H new ATOM 0 HH11 ARG B 74 22.136 11.075 -2.446 1.00 0.00 H new ATOM 0 HH12 ARG B 74 22.728 10.150 -3.829 1.00 0.00 H new ATOM 0 HH21 ARG B 74 25.419 12.323 -4.497 1.00 0.00 H new ATOM 0 HH22 ARG B 74 24.571 10.850 -4.980 1.00 0.00 H new ATOM 1067 N ASP B 75 24.344 11.643 3.636 1.00 0.00 N ATOM 1068 CA ASP B 75 23.552 11.989 4.809 1.00 0.00 C ATOM 1069 C ASP B 75 24.310 12.901 5.772 1.00 0.00 C ATOM 1070 O ASP B 75 25.541 12.933 5.787 1.00 0.00 O ATOM 1071 CB ASP B 75 23.068 10.731 5.534 1.00 0.00 C ATOM 1072 CG ASP B 75 24.191 9.789 5.979 1.00 0.00 C ATOM 1073 OD1 ASP B 75 25.373 10.093 5.700 1.00 0.00 O ATOM 1074 OD2 ASP B 75 23.850 8.758 6.604 1.00 0.00 O ATOM 0 H ASP B 75 24.663 10.675 3.610 1.00 0.00 H new ATOM 0 HA ASP B 75 22.685 12.543 4.451 1.00 0.00 H new ATOM 0 HB2 ASP B 75 22.492 11.029 6.410 1.00 0.00 H new ATOM 0 HB3 ASP B 75 22.391 10.185 4.877 1.00 0.00 H new ATOM 1079 N GLY B 76 23.553 13.643 6.585 1.00 0.00 N ATOM 1080 CA GLY B 76 24.095 14.390 7.704 1.00 0.00 C ATOM 1081 C GLY B 76 25.148 15.408 7.277 1.00 0.00 C ATOM 1082 O GLY B 76 26.171 15.539 7.947 1.00 0.00 O ATOM 0 H GLY B 76 22.543 13.737 6.478 1.00 0.00 H new ATOM 0 HA2 GLY B 76 23.284 14.906 8.218 1.00 0.00 H new ATOM 0 HA3 GLY B 76 24.536 13.696 8.420 1.00 0.00 H new ATOM 1086 N TYR B 77 24.921 16.128 6.171 1.00 0.00 N ATOM 1087 CA TYR B 77 25.918 17.042 5.640 1.00 0.00 C ATOM 1088 C TYR B 77 25.774 18.470 6.151 1.00 0.00 C ATOM 1089 O TYR B 77 24.683 19.032 6.125 1.00 0.00 O ATOM 1090 CB TYR B 77 26.003 16.950 4.113 1.00 0.00 C ATOM 1091 CG TYR B 77 26.755 18.097 3.475 1.00 0.00 C ATOM 1092 CD1 TYR B 77 26.053 19.085 2.766 1.00 0.00 C ATOM 1093 CD2 TYR B 77 28.150 18.173 3.598 1.00 0.00 C ATOM 1094 CE1 TYR B 77 26.745 20.154 2.178 1.00 0.00 C ATOM 1095 CE2 TYR B 77 28.848 19.238 3.011 1.00 0.00 C ATOM 1096 CZ TYR B 77 28.147 20.232 2.302 1.00 0.00 C ATOM 1097 OH TYR B 77 28.822 21.267 1.727 1.00 0.00 O ATOM 0 H TYR B 77 24.055 16.090 5.634 1.00 0.00 H new ATOM 0 HA TYR B 77 26.880 16.713 6.032 1.00 0.00 H new ATOM 0 HB2 TYR B 77 26.489 16.013 3.841 1.00 0.00 H new ATOM 0 HB3 TYR B 77 24.994 16.917 3.703 1.00 0.00 H new ATOM 0 HD1 TYR B 77 24.979 19.022 2.673 1.00 0.00 H new ATOM 0 HD2 TYR B 77 28.686 17.412 4.145 1.00 0.00 H new ATOM 0 HE1 TYR B 77 26.206 20.914 1.632 1.00 0.00 H new ATOM 0 HE2 TYR B 77 29.923 19.296 3.103 1.00 0.00 H new ATOM 0 HH TYR B 77 29.781 21.173 1.907 1.00 0.00 H new ATOM 1107 N ASP B 78 26.883 19.043 6.615 1.00 0.00 N ATOM 1108 CA ASP B 78 26.909 20.387 7.168 1.00 0.00 C ATOM 1109 C ASP B 78 26.601 21.448 6.111 1.00 0.00 C ATOM 1110 O ASP B 78 27.468 21.798 5.308 1.00 0.00 O ATOM 1111 CB ASP B 78 28.267 20.625 7.835 1.00 0.00 C ATOM 1112 CG ASP B 78 28.445 22.073 8.301 1.00 0.00 C ATOM 1113 OD1 ASP B 78 27.415 22.728 8.564 1.00 0.00 O ATOM 1114 OD2 ASP B 78 29.618 22.506 8.386 1.00 0.00 O ATOM 0 H ASP B 78 27.792 18.581 6.616 1.00 0.00 H new ATOM 0 HA ASP B 78 26.123 20.476 7.918 1.00 0.00 H new ATOM 0 HB2 ASP B 78 28.371 19.956 8.689 1.00 0.00 H new ATOM 0 HB3 ASP B 78 29.062 20.372 7.134 1.00 0.00 H new ATOM 1119 N TYR B 79 25.365 21.954 6.121 1.00 0.00 N ATOM 1120 CA TYR B 79 24.910 22.973 5.190 1.00 0.00 C ATOM 1121 C TYR B 79 25.083 24.388 5.753 1.00 0.00 C ATOM 1122 O TYR B 79 25.525 24.553 6.892 1.00 0.00 O ATOM 1123 CB TYR B 79 23.474 22.648 4.761 1.00 0.00 C ATOM 1124 CG TYR B 79 22.784 23.716 3.949 1.00 0.00 C ATOM 1125 CD1 TYR B 79 23.151 23.924 2.614 1.00 0.00 C ATOM 1126 CD2 TYR B 79 21.777 24.498 4.532 1.00 0.00 C ATOM 1127 CE1 TYR B 79 22.512 24.915 1.855 1.00 0.00 C ATOM 1128 CE2 TYR B 79 21.131 25.491 3.782 1.00 0.00 C ATOM 1129 CZ TYR B 79 21.499 25.702 2.437 1.00 0.00 C ATOM 1130 OH TYR B 79 20.873 26.668 1.700 1.00 0.00 O ATOM 0 H TYR B 79 24.649 21.660 6.786 1.00 0.00 H new ATOM 0 HA TYR B 79 25.536 22.961 4.298 1.00 0.00 H new ATOM 0 HB2 TYR B 79 23.486 21.725 4.181 1.00 0.00 H new ATOM 0 HB3 TYR B 79 22.881 22.455 5.655 1.00 0.00 H new ATOM 0 HD1 TYR B 79 23.928 23.320 2.168 1.00 0.00 H new ATOM 0 HD2 TYR B 79 21.498 24.335 5.562 1.00 0.00 H new ATOM 0 HE1 TYR B 79 22.796 25.075 0.825 1.00 0.00 H new ATOM 0 HE2 TYR B 79 20.355 26.092 4.232 1.00 0.00 H new ATOM 0 HH TYR B 79 20.200 27.117 2.253 1.00 0.00 H new ATOM 1140 N ASP B 80 24.735 25.411 4.964 1.00 0.00 N ATOM 1141 CA ASP B 80 24.885 26.812 5.313 1.00 0.00 C ATOM 1142 C ASP B 80 23.993 27.291 6.472 1.00 0.00 C ATOM 1143 O ASP B 80 23.726 28.485 6.597 1.00 0.00 O ATOM 1144 CB ASP B 80 24.684 27.665 4.057 1.00 0.00 C ATOM 1145 CG ASP B 80 25.834 27.521 3.060 1.00 0.00 C ATOM 1146 OD1 ASP B 80 26.797 26.786 3.372 1.00 0.00 O ATOM 1147 OD2 ASP B 80 25.735 28.155 1.986 1.00 0.00 O ATOM 0 H ASP B 80 24.330 25.273 4.038 1.00 0.00 H new ATOM 0 HA ASP B 80 25.898 26.933 5.696 1.00 0.00 H new ATOM 0 HB2 ASP B 80 23.750 27.379 3.573 1.00 0.00 H new ATOM 0 HB3 ASP B 80 24.586 28.712 4.345 1.00 0.00 H new ATOM 1152 N GLY B 81 23.529 26.366 7.320 1.00 0.00 N ATOM 1153 CA GLY B 81 22.661 26.696 8.444 1.00 0.00 C ATOM 1154 C GLY B 81 21.913 25.477 8.980 1.00 0.00 C ATOM 1155 O GLY B 81 21.305 25.557 10.049 1.00 0.00 O ATOM 0 H GLY B 81 23.747 25.373 7.243 1.00 0.00 H new ATOM 0 HA2 GLY B 81 23.258 27.133 9.244 1.00 0.00 H new ATOM 0 HA3 GLY B 81 21.941 27.453 8.133 1.00 0.00 H new ATOM 1159 N TYR B 82 21.955 24.353 8.256 1.00 0.00 N ATOM 1160 CA TYR B 82 21.243 23.142 8.639 1.00 0.00 C ATOM 1161 C TYR B 82 22.086 21.898 8.348 1.00 0.00 C ATOM 1162 O TYR B 82 23.281 22.003 8.081 1.00 0.00 O ATOM 1163 CB TYR B 82 19.904 23.095 7.904 1.00 0.00 C ATOM 1164 CG TYR B 82 18.981 24.243 8.244 1.00 0.00 C ATOM 1165 CD1 TYR B 82 18.074 24.126 9.308 1.00 0.00 C ATOM 1166 CD2 TYR B 82 19.037 25.429 7.497 1.00 0.00 C ATOM 1167 CE1 TYR B 82 17.220 25.192 9.627 1.00 0.00 C ATOM 1168 CE2 TYR B 82 18.187 26.498 7.813 1.00 0.00 C ATOM 1169 CZ TYR B 82 17.272 26.381 8.877 1.00 0.00 C ATOM 1170 OH TYR B 82 16.441 27.417 9.179 1.00 0.00 O ATOM 0 H TYR B 82 22.485 24.264 7.389 1.00 0.00 H new ATOM 0 HA TYR B 82 21.055 23.156 9.713 1.00 0.00 H new ATOM 0 HB2 TYR B 82 20.089 23.096 6.830 1.00 0.00 H new ATOM 0 HB3 TYR B 82 19.403 22.156 8.140 1.00 0.00 H new ATOM 0 HD1 TYR B 82 18.033 23.213 9.883 1.00 0.00 H new ATOM 0 HD2 TYR B 82 19.735 25.519 6.678 1.00 0.00 H new ATOM 0 HE1 TYR B 82 16.524 25.100 10.447 1.00 0.00 H new ATOM 0 HE2 TYR B 82 18.234 27.412 7.240 1.00 0.00 H new ATOM 0 HH TYR B 82 16.609 28.161 8.564 1.00 0.00 H new ATOM 1180 N ARG B 83 21.459 20.717 8.400 1.00 0.00 N ATOM 1181 CA ARG B 83 22.142 19.457 8.147 1.00 0.00 C ATOM 1182 C ARG B 83 21.247 18.544 7.308 1.00 0.00 C ATOM 1183 O ARG B 83 20.123 18.235 7.698 1.00 0.00 O ATOM 1184 CB ARG B 83 22.528 18.831 9.490 1.00 0.00 C ATOM 1185 CG ARG B 83 23.371 17.576 9.284 1.00 0.00 C ATOM 1186 CD ARG B 83 23.943 17.127 10.630 1.00 0.00 C ATOM 1187 NE ARG B 83 24.834 15.972 10.469 1.00 0.00 N ATOM 1188 CZ ARG B 83 24.789 14.873 11.231 1.00 0.00 C ATOM 1189 NH1 ARG B 83 23.905 14.763 12.219 1.00 0.00 N ATOM 1190 NH2 ARG B 83 25.634 13.871 11.005 1.00 0.00 N ATOM 0 H ARG B 83 20.468 20.615 8.618 1.00 0.00 H new ATOM 0 HA ARG B 83 23.056 19.617 7.575 1.00 0.00 H new ATOM 0 HB2 ARG B 83 23.085 19.554 10.086 1.00 0.00 H new ATOM 0 HB3 ARG B 83 21.628 18.581 10.051 1.00 0.00 H new ATOM 0 HG2 ARG B 83 22.763 16.782 8.851 1.00 0.00 H new ATOM 0 HG3 ARG B 83 24.179 17.778 8.581 1.00 0.00 H new ATOM 0 HD2 ARG B 83 24.490 17.951 11.089 1.00 0.00 H new ATOM 0 HD3 ARG B 83 23.128 16.870 11.307 1.00 0.00 H new ATOM 0 HE ARG B 83 25.533 16.009 9.728 1.00 0.00 H new ATOM 0 HH11 ARG B 83 23.250 15.522 12.404 1.00 0.00 H new ATOM 0 HH12 ARG B 83 23.882 13.919 12.792 1.00 0.00 H new ATOM 0 HH21 ARG B 83 26.317 13.940 10.250 1.00 0.00 H new ATOM 0 HH22 ARG B 83 25.599 13.034 11.586 1.00 0.00 H new ATOM 1204 N LEU B 84 21.767 18.119 6.152 1.00 0.00 N ATOM 1205 CA LEU B 84 21.031 17.306 5.191 1.00 0.00 C ATOM 1206 C LEU B 84 20.584 15.989 5.815 1.00 0.00 C ATOM 1207 O LEU B 84 21.211 15.491 6.747 1.00 0.00 O ATOM 1208 CB LEU B 84 21.916 17.020 3.971 1.00 0.00 C ATOM 1209 CG LEU B 84 21.897 18.137 2.918 1.00 0.00 C ATOM 1210 CD1 LEU B 84 20.513 18.259 2.279 1.00 0.00 C ATOM 1211 CD2 LEU B 84 22.297 19.484 3.520 1.00 0.00 C ATOM 0 H LEU B 84 22.720 18.334 5.859 1.00 0.00 H new ATOM 0 HA LEU B 84 20.144 17.860 4.884 1.00 0.00 H new ATOM 0 HB2 LEU B 84 22.942 16.866 4.306 1.00 0.00 H new ATOM 0 HB3 LEU B 84 21.589 16.090 3.507 1.00 0.00 H new ATOM 0 HG LEU B 84 22.626 17.867 2.154 1.00 0.00 H new ATOM 0 HD11 LEU B 84 20.524 19.057 1.536 1.00 0.00 H new ATOM 0 HD12 LEU B 84 20.251 17.318 1.796 1.00 0.00 H new ATOM 0 HD13 LEU B 84 19.776 18.490 3.048 1.00 0.00 H new ATOM 0 HD21 LEU B 84 22.272 20.250 2.745 1.00 0.00 H new ATOM 0 HD22 LEU B 84 21.600 19.749 4.315 1.00 0.00 H new ATOM 0 HD23 LEU B 84 23.305 19.415 3.930 1.00 0.00 H new ATOM 1223 N ARG B 85 19.494 15.431 5.284 1.00 0.00 N ATOM 1224 CA ARG B 85 18.993 14.132 5.711 1.00 0.00 C ATOM 1225 C ARG B 85 18.794 13.238 4.497 1.00 0.00 C ATOM 1226 O ARG B 85 18.096 13.604 3.555 1.00 0.00 O ATOM 1227 CB ARG B 85 17.680 14.304 6.479 1.00 0.00 C ATOM 1228 CG ARG B 85 17.867 15.243 7.675 1.00 0.00 C ATOM 1229 CD ARG B 85 16.559 15.358 8.458 1.00 0.00 C ATOM 1230 NE ARG B 85 16.188 14.073 9.064 1.00 0.00 N ATOM 1231 CZ ARG B 85 15.541 13.964 10.227 1.00 0.00 C ATOM 1232 NH1 ARG B 85 15.184 15.045 10.910 1.00 0.00 N ATOM 1233 NH2 ARG B 85 15.245 12.760 10.708 1.00 0.00 N ATOM 0 H ARG B 85 18.939 15.869 4.549 1.00 0.00 H new ATOM 0 HA ARG B 85 19.719 13.663 6.375 1.00 0.00 H new ATOM 0 HB2 ARG B 85 16.914 14.703 5.814 1.00 0.00 H new ATOM 0 HB3 ARG B 85 17.326 13.333 6.825 1.00 0.00 H new ATOM 0 HG2 ARG B 85 18.657 14.866 8.324 1.00 0.00 H new ATOM 0 HG3 ARG B 85 18.181 16.228 7.329 1.00 0.00 H new ATOM 0 HD2 ARG B 85 16.663 16.114 9.237 1.00 0.00 H new ATOM 0 HD3 ARG B 85 15.763 15.693 7.794 1.00 0.00 H new ATOM 0 HE ARG B 85 16.438 13.217 8.569 1.00 0.00 H new ATOM 0 HH11 ARG B 85 15.404 15.973 10.548 1.00 0.00 H new ATOM 0 HH12 ARG B 85 14.690 14.948 11.797 1.00 0.00 H new ATOM 0 HH21 ARG B 85 15.512 11.924 10.189 1.00 0.00 H new ATOM 0 HH22 ARG B 85 14.751 12.673 11.596 1.00 0.00 H new ATOM 1247 N VAL B 86 19.417 12.060 4.532 1.00 0.00 N ATOM 1248 CA VAL B 86 19.263 11.040 3.503 1.00 0.00 C ATOM 1249 C VAL B 86 19.270 9.675 4.182 1.00 0.00 C ATOM 1250 O VAL B 86 20.298 9.009 4.228 1.00 0.00 O ATOM 1251 CB VAL B 86 20.380 11.151 2.453 1.00 0.00 C ATOM 1252 CG1 VAL B 86 20.162 10.118 1.345 1.00 0.00 C ATOM 1253 CG2 VAL B 86 20.398 12.542 1.818 1.00 0.00 C ATOM 0 H VAL B 86 20.049 11.787 5.285 1.00 0.00 H new ATOM 0 HA VAL B 86 18.320 11.179 2.975 1.00 0.00 H new ATOM 0 HB VAL B 86 21.329 10.971 2.958 1.00 0.00 H new ATOM 0 HG11 VAL B 86 20.958 10.204 0.606 1.00 0.00 H new ATOM 0 HG12 VAL B 86 20.172 9.116 1.774 1.00 0.00 H new ATOM 0 HG13 VAL B 86 19.200 10.297 0.865 1.00 0.00 H new ATOM 0 HG21 VAL B 86 21.197 12.594 1.079 1.00 0.00 H new ATOM 0 HG22 VAL B 86 19.441 12.732 1.332 1.00 0.00 H new ATOM 0 HG23 VAL B 86 20.568 13.292 2.590 1.00 0.00 H new ATOM 1263 N GLU B 87 18.120 9.265 4.718 1.00 0.00 N ATOM 1264 CA GLU B 87 18.030 8.053 5.520 1.00 0.00 C ATOM 1265 C GLU B 87 16.757 7.276 5.228 1.00 0.00 C ATOM 1266 O GLU B 87 15.790 7.815 4.695 1.00 0.00 O ATOM 1267 CB GLU B 87 18.115 8.427 7.004 1.00 0.00 C ATOM 1268 CG GLU B 87 16.952 9.351 7.401 1.00 0.00 C ATOM 1269 CD GLU B 87 17.021 9.762 8.870 1.00 0.00 C ATOM 1270 OE1 GLU B 87 16.175 10.596 9.264 1.00 0.00 O ATOM 1271 OE2 GLU B 87 17.908 9.245 9.585 1.00 0.00 O ATOM 0 H GLU B 87 17.235 9.761 4.608 1.00 0.00 H new ATOM 0 HA GLU B 87 18.863 7.400 5.260 1.00 0.00 H new ATOM 0 HB2 GLU B 87 18.092 7.524 7.613 1.00 0.00 H new ATOM 0 HB3 GLU B 87 19.065 8.923 7.205 1.00 0.00 H new ATOM 0 HG2 GLU B 87 16.968 10.243 6.774 1.00 0.00 H new ATOM 0 HG3 GLU B 87 16.006 8.844 7.211 1.00 0.00 H new ATOM 1278 N PHE B 88 16.761 5.990 5.588 1.00 0.00 N ATOM 1279 CA PHE B 88 15.621 5.107 5.406 1.00 0.00 C ATOM 1280 C PHE B 88 14.465 5.411 6.367 1.00 0.00 C ATOM 1281 O PHE B 88 14.711 5.686 7.542 1.00 0.00 O ATOM 1282 CB PHE B 88 16.099 3.651 5.460 1.00 0.00 C ATOM 1283 CG PHE B 88 15.010 2.616 5.614 1.00 0.00 C ATOM 1284 CD1 PHE B 88 14.470 1.997 4.479 1.00 0.00 C ATOM 1285 CD2 PHE B 88 14.550 2.265 6.891 1.00 0.00 C ATOM 1286 CE1 PHE B 88 13.476 1.019 4.621 1.00 0.00 C ATOM 1287 CE2 PHE B 88 13.555 1.289 7.030 1.00 0.00 C ATOM 1288 CZ PHE B 88 13.017 0.664 5.895 1.00 0.00 C ATOM 0 H PHE B 88 17.566 5.534 6.017 1.00 0.00 H new ATOM 0 HA PHE B 88 15.192 5.287 4.420 1.00 0.00 H new ATOM 0 HB2 PHE B 88 16.655 3.435 4.548 1.00 0.00 H new ATOM 0 HB3 PHE B 88 16.796 3.546 6.291 1.00 0.00 H new ATOM 0 HD1 PHE B 88 14.819 2.273 3.495 1.00 0.00 H new ATOM 0 HD2 PHE B 88 14.962 2.746 7.766 1.00 0.00 H new ATOM 0 HE1 PHE B 88 13.064 0.539 3.746 1.00 0.00 H new ATOM 0 HE2 PHE B 88 13.201 1.017 8.013 1.00 0.00 H new ATOM 0 HZ PHE B 88 12.251 -0.089 6.004 1.00 0.00 H new ATOM 1298 N PRO B 89 13.209 5.368 5.886 1.00 0.00 N ATOM 1299 CA PRO B 89 12.026 5.647 6.685 1.00 0.00 C ATOM 1300 C PRO B 89 11.813 4.575 7.756 1.00 0.00 C ATOM 1301 O PRO B 89 11.389 3.461 7.385 1.00 0.00 O ATOM 1302 CB PRO B 89 10.860 5.685 5.692 1.00 0.00 C ATOM 1303 CG PRO B 89 11.344 4.833 4.518 1.00 0.00 C ATOM 1304 CD PRO B 89 12.855 5.057 4.514 1.00 0.00 C ATOM 0 HA PRO B 89 12.120 6.589 7.225 1.00 0.00 H new ATOM 0 HB2 PRO B 89 9.949 5.278 6.131 1.00 0.00 H new ATOM 0 HB3 PRO B 89 10.636 6.705 5.379 1.00 0.00 H new ATOM 0 HG2 PRO B 89 11.095 3.781 4.656 1.00 0.00 H new ATOM 0 HG3 PRO B 89 10.889 5.148 3.579 1.00 0.00 H new ATOM 0 HD2 PRO B 89 13.382 4.169 4.165 1.00 0.00 H new ATOM 0 HD3 PRO B 89 13.128 5.873 3.845 1.00 0.00 H new