USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 550 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 NoAdj-H: A 346 HIS HD1 : A 346 HIS ND1 : A 402 ZNZN :(H bumps) USER MOD Single : A 303 SER OG : rot 180:sc= 0 USER MOD Single : A 306 SER OG : rot 31:sc= 0.0146 USER MOD Single : A 311 LYS NZ :NH3+ -140:sc= -1.32 (180deg=-3.61!) USER MOD Single : A 315 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 316 LYS NZ :NH3+ -111:sc= 0.271 (180deg=0.177) USER MOD Single : A 320 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00629) USER MOD Single : A 324 HIS : no HE2:sc= -1.68! X(o=-1.7!,f=-1.6) USER MOD Single : A 334 LYS NZ :NH3+ 164:sc= 0.828 (180deg=0.663) USER MOD Single : A 335 GLN : amide:sc= 1.09 K(o=1.1,f=-2.2) USER MOD Single : A 343 MET CE :methyl 144:sc= -0.306 (180deg=-1.15) USER MOD Single : A 348 TYR OH : rot 29:sc= 0.367 USER MOD Single : A 351 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0198) USER MOD Single : A 355 THR OG1 : rot 180:sc= 0 USER MOD Single : A 356 SER OG : rot 180:sc= -0.0227 USER MOD Single : A 364 TYR OH : rot 180:sc= 0 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 370 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 372 SER OG : rot -39:sc= 0.311 USER MOD Single : A 373 SER OG : rot 180:sc= 0 USER MOD Single : A 377 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 303 8.755 10.440 0.603 1.00 0.00 N ATOM 2 CA SER A 303 8.359 11.617 -0.197 1.00 0.00 C ATOM 3 C SER A 303 8.306 12.881 0.690 1.00 0.00 C ATOM 4 O SER A 303 8.492 14.000 0.198 1.00 0.00 O ATOM 5 CB SER A 303 6.981 11.366 -0.868 1.00 0.00 C ATOM 6 OG SER A 303 6.615 12.427 -1.743 1.00 0.00 O ATOM 0 HA SER A 303 9.104 11.777 -0.976 1.00 0.00 H new ATOM 0 HB2 SER A 303 7.014 10.430 -1.426 1.00 0.00 H new ATOM 0 HB3 SER A 303 6.218 11.251 -0.098 1.00 0.00 H new ATOM 0 HG SER A 303 5.744 12.232 -2.147 1.00 0.00 H new ATOM 12 N GLY A 304 8.036 12.676 1.996 1.00 0.00 N ATOM 13 CA GLY A 304 7.927 13.767 2.967 1.00 0.00 C ATOM 14 C GLY A 304 9.285 14.322 3.397 1.00 0.00 C ATOM 15 O GLY A 304 10.309 13.665 3.177 1.00 0.00 O ATOM 0 H GLY A 304 7.889 11.750 2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 304 7.332 14.572 2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 304 7.391 13.411 3.847 1.00 0.00 H new ATOM 19 N PRO A 305 9.329 15.540 4.028 1.00 0.00 N ATOM 20 CA PRO A 305 10.595 16.165 4.501 1.00 0.00 C ATOM 21 C PRO A 305 11.215 15.415 5.707 1.00 0.00 C ATOM 22 O PRO A 305 10.588 14.506 6.277 1.00 0.00 O ATOM 23 CB PRO A 305 10.153 17.608 4.877 1.00 0.00 C ATOM 24 CG PRO A 305 8.704 17.476 5.237 1.00 0.00 C ATOM 25 CD PRO A 305 8.152 16.402 4.318 1.00 0.00 C ATOM 0 HA PRO A 305 11.382 16.139 3.748 1.00 0.00 H new ATOM 0 HB2 PRO A 305 10.736 17.996 5.712 1.00 0.00 H new ATOM 0 HB3 PRO A 305 10.294 18.296 4.043 1.00 0.00 H new ATOM 0 HG2 PRO A 305 8.584 17.196 6.284 1.00 0.00 H new ATOM 0 HG3 PRO A 305 8.178 18.420 5.097 1.00 0.00 H new ATOM 0 HD2 PRO A 305 7.352 15.838 4.798 1.00 0.00 H new ATOM 0 HD3 PRO A 305 7.737 16.831 3.406 1.00 0.00 H new ATOM 33 N SER A 306 12.435 15.844 6.088 1.00 0.00 N ATOM 34 CA SER A 306 13.262 15.212 7.142 1.00 0.00 C ATOM 35 C SER A 306 12.481 15.046 8.465 1.00 0.00 C ATOM 36 O SER A 306 11.890 16.003 8.981 1.00 0.00 O ATOM 37 CB SER A 306 14.542 16.051 7.355 1.00 0.00 C ATOM 38 OG SER A 306 14.228 17.409 7.636 1.00 0.00 O ATOM 0 H SER A 306 12.884 16.656 5.664 1.00 0.00 H new ATOM 0 HA SER A 306 13.536 14.209 6.814 1.00 0.00 H new ATOM 0 HB2 SER A 306 15.122 15.632 8.177 1.00 0.00 H new ATOM 0 HB3 SER A 306 15.168 15.997 6.464 1.00 0.00 H new ATOM 0 HG SER A 306 13.370 17.456 8.107 1.00 0.00 H new ATOM 44 N CYS A 307 12.478 13.818 8.997 1.00 0.00 N ATOM 45 CA CYS A 307 11.606 13.410 10.103 1.00 0.00 C ATOM 46 C CYS A 307 12.402 13.033 11.356 1.00 0.00 C ATOM 47 O CYS A 307 12.861 11.901 11.513 1.00 0.00 O ATOM 48 CB CYS A 307 10.689 12.278 9.630 1.00 0.00 C ATOM 49 SG CYS A 307 9.265 12.915 8.709 1.00 0.00 S ATOM 0 H CYS A 307 13.089 13.071 8.667 1.00 0.00 H new ATOM 0 HA CYS A 307 10.987 14.258 10.397 1.00 0.00 H new ATOM 0 HB2 CYS A 307 11.253 11.591 8.999 1.00 0.00 H new ATOM 0 HB3 CYS A 307 10.341 11.707 10.491 1.00 0.00 H new ATOM 54 N ARG A 308 12.524 14.026 12.241 1.00 0.00 N ATOM 55 CA ARG A 308 13.216 13.920 13.536 1.00 0.00 C ATOM 56 C ARG A 308 12.210 13.485 14.623 1.00 0.00 C ATOM 57 O ARG A 308 12.441 12.537 15.375 1.00 0.00 O ATOM 58 CB ARG A 308 13.806 15.319 13.874 1.00 0.00 C ATOM 59 CG ARG A 308 14.705 15.926 12.766 1.00 0.00 C ATOM 60 CD ARG A 308 14.857 17.455 12.900 1.00 0.00 C ATOM 61 NE ARG A 308 15.389 17.848 14.219 1.00 0.00 N ATOM 62 CZ ARG A 308 15.086 18.976 14.890 1.00 0.00 C ATOM 63 NH1 ARG A 308 14.210 19.856 14.408 1.00 0.00 N ATOM 64 NH2 ARG A 308 15.667 19.214 16.053 1.00 0.00 N ATOM 0 H ARG A 308 12.134 14.954 12.075 1.00 0.00 H new ATOM 0 HA ARG A 308 14.014 13.179 13.491 1.00 0.00 H new ATOM 0 HB2 ARG A 308 12.984 16.007 14.074 1.00 0.00 H new ATOM 0 HB3 ARG A 308 14.387 15.241 14.793 1.00 0.00 H new ATOM 0 HG2 ARG A 308 15.690 15.461 12.807 1.00 0.00 H new ATOM 0 HG3 ARG A 308 14.282 15.690 11.790 1.00 0.00 H new ATOM 0 HD2 ARG A 308 15.521 17.822 12.118 1.00 0.00 H new ATOM 0 HD3 ARG A 308 13.888 17.930 12.744 1.00 0.00 H new ATOM 0 HE ARG A 308 16.046 17.207 14.663 1.00 0.00 H new ATOM 0 HH11 ARG A 308 13.753 19.683 13.513 1.00 0.00 H new ATOM 0 HH12 ARG A 308 13.996 20.703 14.934 1.00 0.00 H new ATOM 0 HH21 ARG A 308 16.338 18.547 16.434 1.00 0.00 H new ATOM 0 HH22 ARG A 308 15.445 20.065 16.569 1.00 0.00 H new ATOM 78 N PHE A 309 11.076 14.200 14.656 1.00 0.00 N ATOM 79 CA PHE A 309 10.000 13.998 15.653 1.00 0.00 C ATOM 80 C PHE A 309 9.193 12.723 15.344 1.00 0.00 C ATOM 81 O PHE A 309 8.765 12.007 16.246 1.00 0.00 O ATOM 82 CB PHE A 309 9.044 15.221 15.651 1.00 0.00 C ATOM 83 CG PHE A 309 9.717 16.573 15.904 1.00 0.00 C ATOM 84 CD1 PHE A 309 10.426 17.225 14.889 1.00 0.00 C ATOM 85 CD2 PHE A 309 9.629 17.201 17.146 1.00 0.00 C ATOM 86 CE1 PHE A 309 11.022 18.451 15.109 1.00 0.00 C ATOM 87 CE2 PHE A 309 10.228 18.429 17.362 1.00 0.00 C ATOM 88 CZ PHE A 309 10.923 19.052 16.346 1.00 0.00 C ATOM 0 H PHE A 309 10.873 14.943 13.988 1.00 0.00 H new ATOM 0 HA PHE A 309 10.463 13.890 16.634 1.00 0.00 H new ATOM 0 HB2 PHE A 309 8.533 15.261 14.689 1.00 0.00 H new ATOM 0 HB3 PHE A 309 8.279 15.066 16.412 1.00 0.00 H new ATOM 0 HD1 PHE A 309 10.508 16.761 13.917 1.00 0.00 H new ATOM 0 HD2 PHE A 309 9.087 16.723 17.949 1.00 0.00 H new ATOM 0 HE1 PHE A 309 11.565 18.939 14.313 1.00 0.00 H new ATOM 0 HE2 PHE A 309 10.151 18.902 18.330 1.00 0.00 H new ATOM 0 HZ PHE A 309 11.390 20.010 16.520 1.00 0.00 H new ATOM 98 N CYS A 310 9.012 12.450 14.036 1.00 0.00 N ATOM 99 CA CYS A 310 8.140 11.356 13.537 1.00 0.00 C ATOM 100 C CYS A 310 8.846 9.979 13.616 1.00 0.00 C ATOM 101 O CYS A 310 8.264 8.968 13.208 1.00 0.00 O ATOM 102 CB CYS A 310 7.704 11.673 12.081 1.00 0.00 C ATOM 103 SG CYS A 310 7.165 13.391 11.832 1.00 0.00 S ATOM 0 H CYS A 310 9.465 12.980 13.291 1.00 0.00 H new ATOM 0 HA CYS A 310 7.258 11.296 14.175 1.00 0.00 H new ATOM 0 HB2 CYS A 310 8.536 11.462 11.409 1.00 0.00 H new ATOM 0 HB3 CYS A 310 6.891 11.003 11.801 1.00 0.00 H new ATOM 108 N LYS A 311 10.109 9.973 14.133 1.00 0.00 N ATOM 109 CA LYS A 311 10.977 8.768 14.247 1.00 0.00 C ATOM 110 C LYS A 311 11.283 8.137 12.866 1.00 0.00 C ATOM 111 O LYS A 311 11.774 7.006 12.786 1.00 0.00 O ATOM 112 CB LYS A 311 10.351 7.731 15.225 1.00 0.00 C ATOM 113 CG LYS A 311 10.229 8.208 16.694 1.00 0.00 C ATOM 114 CD LYS A 311 9.594 7.155 17.648 1.00 0.00 C ATOM 115 CE LYS A 311 10.488 5.912 17.915 1.00 0.00 C ATOM 116 NZ LYS A 311 10.681 5.042 16.720 1.00 0.00 N ATOM 0 H LYS A 311 10.557 10.819 14.487 1.00 0.00 H new ATOM 0 HA LYS A 311 11.933 9.089 14.660 1.00 0.00 H new ATOM 0 HB2 LYS A 311 9.359 7.464 14.862 1.00 0.00 H new ATOM 0 HB3 LYS A 311 10.953 6.823 15.202 1.00 0.00 H new ATOM 0 HG2 LYS A 311 11.220 8.469 17.065 1.00 0.00 H new ATOM 0 HG3 LYS A 311 9.629 9.118 16.722 1.00 0.00 H new ATOM 0 HD2 LYS A 311 9.366 7.635 18.600 1.00 0.00 H new ATOM 0 HD3 LYS A 311 8.647 6.822 17.224 1.00 0.00 H new ATOM 0 HE2 LYS A 311 11.463 6.247 18.270 1.00 0.00 H new ATOM 0 HE3 LYS A 311 10.043 5.321 18.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 10.644 4.043 17.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 9.928 5.230 16.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 11.606 5.244 16.289 1.00 0.00 H new ATOM 130 N ASP A 312 11.043 8.942 11.810 1.00 0.00 N ATOM 131 CA ASP A 312 11.037 8.532 10.399 1.00 0.00 C ATOM 132 C ASP A 312 10.254 7.224 10.171 1.00 0.00 C ATOM 133 O ASP A 312 10.816 6.125 10.228 1.00 0.00 O ATOM 134 CB ASP A 312 12.464 8.470 9.800 1.00 0.00 C ATOM 135 CG ASP A 312 12.440 8.253 8.275 1.00 0.00 C ATOM 136 OD1 ASP A 312 12.909 7.206 7.782 1.00 0.00 O ATOM 137 OD2 ASP A 312 11.930 9.149 7.556 1.00 0.00 O ATOM 0 H ASP A 312 10.840 9.935 11.927 1.00 0.00 H new ATOM 0 HA ASP A 312 10.503 9.311 9.855 1.00 0.00 H new ATOM 0 HB2 ASP A 312 12.993 9.396 10.026 1.00 0.00 H new ATOM 0 HB3 ASP A 312 13.021 7.661 10.273 1.00 0.00 H new ATOM 142 N ASP A 313 8.935 7.365 9.972 1.00 0.00 N ATOM 143 CA ASP A 313 8.038 6.256 9.595 1.00 0.00 C ATOM 144 C ASP A 313 7.174 6.673 8.390 1.00 0.00 C ATOM 145 O ASP A 313 6.819 7.851 8.236 1.00 0.00 O ATOM 146 CB ASP A 313 7.135 5.839 10.783 1.00 0.00 C ATOM 147 CG ASP A 313 6.156 4.707 10.426 1.00 0.00 C ATOM 148 OD1 ASP A 313 4.930 4.926 10.442 1.00 0.00 O ATOM 149 OD2 ASP A 313 6.615 3.613 10.059 1.00 0.00 O ATOM 0 H ASP A 313 8.454 8.259 10.068 1.00 0.00 H new ATOM 0 HA ASP A 313 8.649 5.396 9.321 1.00 0.00 H new ATOM 0 HB2 ASP A 313 7.763 5.520 11.615 1.00 0.00 H new ATOM 0 HB3 ASP A 313 6.570 6.706 11.125 1.00 0.00 H new ATOM 154 N GLU A 314 6.806 5.681 7.576 1.00 0.00 N ATOM 155 CA GLU A 314 6.024 5.883 6.349 1.00 0.00 C ATOM 156 C GLU A 314 4.558 6.257 6.661 1.00 0.00 C ATOM 157 O GLU A 314 3.978 7.133 6.013 1.00 0.00 O ATOM 158 CB GLU A 314 6.067 4.599 5.494 1.00 0.00 C ATOM 159 CG GLU A 314 7.490 4.142 5.112 1.00 0.00 C ATOM 160 CD GLU A 314 7.503 2.838 4.296 1.00 0.00 C ATOM 161 OE1 GLU A 314 7.590 2.897 3.053 1.00 0.00 O ATOM 162 OE2 GLU A 314 7.396 1.743 4.897 1.00 0.00 O ATOM 0 H GLU A 314 7.044 4.704 7.750 1.00 0.00 H new ATOM 0 HA GLU A 314 6.467 6.712 5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 314 5.574 3.795 6.040 1.00 0.00 H new ATOM 0 HB3 GLU A 314 5.493 4.764 4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 314 7.976 4.929 4.536 1.00 0.00 H new ATOM 0 HG3 GLU A 314 8.077 4.002 6.020 1.00 0.00 H new ATOM 169 N ASN A 315 3.993 5.607 7.690 1.00 0.00 N ATOM 170 CA ASN A 315 2.536 5.623 7.953 1.00 0.00 C ATOM 171 C ASN A 315 2.102 6.825 8.814 1.00 0.00 C ATOM 172 O ASN A 315 0.970 7.311 8.667 1.00 0.00 O ATOM 173 CB ASN A 315 2.099 4.290 8.627 1.00 0.00 C ATOM 174 CG ASN A 315 2.355 3.049 7.762 1.00 0.00 C ATOM 175 OD1 ASN A 315 2.378 3.116 6.529 1.00 0.00 O ATOM 176 ND2 ASN A 315 2.515 1.900 8.402 1.00 0.00 N ATOM 0 H ASN A 315 4.526 5.056 8.363 1.00 0.00 H new ATOM 0 HA ASN A 315 2.037 5.726 6.989 1.00 0.00 H new ATOM 0 HB2 ASN A 315 2.631 4.179 9.572 1.00 0.00 H new ATOM 0 HB3 ASN A 315 1.036 4.344 8.864 1.00 0.00 H new ATOM 0 HD21 ASN A 315 2.662 1.039 7.875 1.00 0.00 H new ATOM 0 HD22 ASN A 315 2.491 1.876 9.421 1.00 0.00 H new ATOM 183 N LYS A 316 2.999 7.297 9.706 1.00 0.00 N ATOM 184 CA LYS A 316 2.679 8.379 10.671 1.00 0.00 C ATOM 185 C LYS A 316 2.391 9.732 9.957 1.00 0.00 C ATOM 186 O LYS A 316 3.126 10.107 9.040 1.00 0.00 O ATOM 187 CB LYS A 316 3.820 8.558 11.718 1.00 0.00 C ATOM 188 CG LYS A 316 4.137 7.297 12.549 1.00 0.00 C ATOM 189 CD LYS A 316 2.903 6.712 13.279 1.00 0.00 C ATOM 190 CE LYS A 316 3.196 5.348 13.933 1.00 0.00 C ATOM 191 NZ LYS A 316 3.539 4.304 12.928 1.00 0.00 N ATOM 0 H LYS A 316 3.954 6.947 9.780 1.00 0.00 H new ATOM 0 HA LYS A 316 1.771 8.075 11.192 1.00 0.00 H new ATOM 0 HB2 LYS A 316 4.726 8.871 11.198 1.00 0.00 H new ATOM 0 HB3 LYS A 316 3.547 9.365 12.398 1.00 0.00 H new ATOM 0 HG2 LYS A 316 4.556 6.535 11.892 1.00 0.00 H new ATOM 0 HG3 LYS A 316 4.903 7.540 13.285 1.00 0.00 H new ATOM 0 HD2 LYS A 316 2.571 7.414 14.044 1.00 0.00 H new ATOM 0 HD3 LYS A 316 2.083 6.602 12.569 1.00 0.00 H new ATOM 0 HE2 LYS A 316 4.020 5.455 14.639 1.00 0.00 H new ATOM 0 HE3 LYS A 316 2.326 5.027 14.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 316 2.773 3.602 12.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 316 3.660 4.747 11.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 316 4.424 3.833 13.205 1.00 0.00 H new ATOM 205 N PRO A 317 1.290 10.461 10.352 1.00 0.00 N ATOM 206 CA PRO A 317 0.987 11.824 9.828 1.00 0.00 C ATOM 207 C PRO A 317 2.040 12.863 10.289 1.00 0.00 C ATOM 208 O PRO A 317 2.373 12.922 11.476 1.00 0.00 O ATOM 209 CB PRO A 317 -0.423 12.133 10.416 1.00 0.00 C ATOM 210 CG PRO A 317 -0.967 10.801 10.855 1.00 0.00 C ATOM 211 CD PRO A 317 0.233 10.007 11.301 1.00 0.00 C ATOM 0 HA PRO A 317 1.010 11.872 8.739 1.00 0.00 H new ATOM 0 HB2 PRO A 317 -0.357 12.827 11.254 1.00 0.00 H new ATOM 0 HB3 PRO A 317 -1.069 12.595 9.669 1.00 0.00 H new ATOM 0 HG2 PRO A 317 -1.685 10.918 11.667 1.00 0.00 H new ATOM 0 HG3 PRO A 317 -1.488 10.301 10.039 1.00 0.00 H new ATOM 0 HD2 PRO A 317 0.499 10.220 12.337 1.00 0.00 H new ATOM 0 HD3 PRO A 317 0.058 8.933 11.231 1.00 0.00 H new ATOM 219 N CYS A 318 2.535 13.703 9.360 1.00 0.00 N ATOM 220 CA CYS A 318 3.716 14.549 9.594 1.00 0.00 C ATOM 221 C CYS A 318 3.354 16.041 9.557 1.00 0.00 C ATOM 222 O CYS A 318 3.084 16.607 8.494 1.00 0.00 O ATOM 223 CB CYS A 318 4.799 14.208 8.558 1.00 0.00 C ATOM 224 SG CYS A 318 6.264 15.267 8.627 1.00 0.00 S ATOM 0 H CYS A 318 2.128 13.812 8.431 1.00 0.00 H new ATOM 0 HA CYS A 318 4.105 14.346 10.592 1.00 0.00 H new ATOM 0 HB2 CYS A 318 5.108 13.173 8.701 1.00 0.00 H new ATOM 0 HB3 CYS A 318 4.364 14.276 7.561 1.00 0.00 H new ATOM 229 N ARG A 319 3.375 16.659 10.744 1.00 0.00 N ATOM 230 CA ARG A 319 3.056 18.087 10.958 1.00 0.00 C ATOM 231 C ARG A 319 4.225 18.828 11.646 1.00 0.00 C ATOM 232 O ARG A 319 4.331 20.047 11.549 1.00 0.00 O ATOM 233 CB ARG A 319 1.772 18.194 11.823 1.00 0.00 C ATOM 234 CG ARG A 319 1.818 17.366 13.132 1.00 0.00 C ATOM 235 CD ARG A 319 0.584 17.582 14.013 1.00 0.00 C ATOM 236 NE ARG A 319 0.538 18.951 14.559 1.00 0.00 N ATOM 237 CZ ARG A 319 -0.567 19.684 14.757 1.00 0.00 C ATOM 238 NH1 ARG A 319 -1.758 19.242 14.380 1.00 0.00 N ATOM 239 NH2 ARG A 319 -0.467 20.870 15.325 1.00 0.00 N ATOM 0 H ARG A 319 3.619 16.173 11.607 1.00 0.00 H new ATOM 0 HA ARG A 319 2.893 18.558 9.989 1.00 0.00 H new ATOM 0 HB2 ARG A 319 1.603 19.241 12.074 1.00 0.00 H new ATOM 0 HB3 ARG A 319 0.919 17.867 11.229 1.00 0.00 H new ATOM 0 HG2 ARG A 319 1.902 16.308 12.885 1.00 0.00 H new ATOM 0 HG3 ARG A 319 2.712 17.634 13.695 1.00 0.00 H new ATOM 0 HD2 ARG A 319 -0.317 17.392 13.430 1.00 0.00 H new ATOM 0 HD3 ARG A 319 0.591 16.863 14.832 1.00 0.00 H new ATOM 0 HE ARG A 319 1.429 19.380 14.809 1.00 0.00 H new ATOM 0 HH11 ARG A 319 -1.845 18.330 13.931 1.00 0.00 H new ATOM 0 HH12 ARG A 319 -2.588 19.814 14.539 1.00 0.00 H new ATOM 0 HH21 ARG A 319 0.446 21.224 15.610 1.00 0.00 H new ATOM 0 HH22 ARG A 319 -1.303 21.434 15.479 1.00 0.00 H new ATOM 253 N LYS A 320 5.105 18.063 12.325 1.00 0.00 N ATOM 254 CA LYS A 320 6.208 18.613 13.152 1.00 0.00 C ATOM 255 C LYS A 320 7.507 18.827 12.346 1.00 0.00 C ATOM 256 O LYS A 320 8.524 19.250 12.899 1.00 0.00 O ATOM 257 CB LYS A 320 6.448 17.678 14.366 1.00 0.00 C ATOM 258 CG LYS A 320 5.235 17.577 15.323 1.00 0.00 C ATOM 259 CD LYS A 320 5.407 16.489 16.405 1.00 0.00 C ATOM 260 CE LYS A 320 4.194 16.392 17.344 1.00 0.00 C ATOM 261 NZ LYS A 320 4.073 17.582 18.224 1.00 0.00 N ATOM 0 H LYS A 320 5.074 17.044 12.317 1.00 0.00 H new ATOM 0 HA LYS A 320 5.909 19.601 13.503 1.00 0.00 H new ATOM 0 HB2 LYS A 320 6.696 16.681 14.002 1.00 0.00 H new ATOM 0 HB3 LYS A 320 7.312 18.038 14.925 1.00 0.00 H new ATOM 0 HG2 LYS A 320 5.080 18.541 15.807 1.00 0.00 H new ATOM 0 HG3 LYS A 320 4.338 17.364 14.742 1.00 0.00 H new ATOM 0 HD2 LYS A 320 5.567 15.525 15.923 1.00 0.00 H new ATOM 0 HD3 LYS A 320 6.300 16.704 16.992 1.00 0.00 H new ATOM 0 HE2 LYS A 320 3.285 16.286 16.752 1.00 0.00 H new ATOM 0 HE3 LYS A 320 4.282 15.495 17.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 320 3.273 17.452 18.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 320 4.949 17.699 18.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 320 3.912 18.429 17.642 1.00 0.00 H new ATOM 275 N CYS A 321 7.474 18.503 11.046 1.00 0.00 N ATOM 276 CA CYS A 321 8.524 18.910 10.074 1.00 0.00 C ATOM 277 C CYS A 321 7.875 19.796 8.995 1.00 0.00 C ATOM 278 O CYS A 321 8.527 20.219 8.039 1.00 0.00 O ATOM 279 CB CYS A 321 9.176 17.671 9.422 1.00 0.00 C ATOM 280 SG CYS A 321 9.353 16.249 10.538 1.00 0.00 S ATOM 0 H CYS A 321 6.724 17.952 10.629 1.00 0.00 H new ATOM 0 HA CYS A 321 9.305 19.464 10.594 1.00 0.00 H new ATOM 0 HB2 CYS A 321 8.579 17.371 8.561 1.00 0.00 H new ATOM 0 HB3 CYS A 321 10.161 17.948 9.046 1.00 0.00 H new ATOM 285 N ALA A 322 6.570 20.051 9.181 1.00 0.00 N ATOM 286 CA ALA A 322 5.731 20.801 8.260 1.00 0.00 C ATOM 287 C ALA A 322 5.208 22.057 8.969 1.00 0.00 C ATOM 288 O ALA A 322 5.514 22.302 10.147 1.00 0.00 O ATOM 289 CB ALA A 322 4.566 19.897 7.793 1.00 0.00 C ATOM 0 H ALA A 322 6.063 19.727 10.005 1.00 0.00 H new ATOM 0 HA ALA A 322 6.301 21.112 7.385 1.00 0.00 H new ATOM 0 HB1 ALA A 322 3.931 20.450 7.102 1.00 0.00 H new ATOM 0 HB2 ALA A 322 4.967 19.016 7.291 1.00 0.00 H new ATOM 0 HB3 ALA A 322 3.978 19.586 8.657 1.00 0.00 H new ATOM 295 N CYS A 323 4.431 22.855 8.241 1.00 0.00 N ATOM 296 CA CYS A 323 3.688 23.977 8.816 1.00 0.00 C ATOM 297 C CYS A 323 2.327 23.469 9.286 1.00 0.00 C ATOM 298 O CYS A 323 1.369 23.390 8.501 1.00 0.00 O ATOM 299 CB CYS A 323 3.544 25.103 7.780 1.00 0.00 C ATOM 300 SG CYS A 323 2.411 26.447 8.243 1.00 0.00 S ATOM 0 H CYS A 323 4.298 22.743 7.236 1.00 0.00 H new ATOM 0 HA CYS A 323 4.225 24.390 9.670 1.00 0.00 H new ATOM 0 HB2 CYS A 323 4.529 25.530 7.592 1.00 0.00 H new ATOM 0 HB3 CYS A 323 3.201 24.668 6.841 1.00 0.00 H new ATOM 305 N HIS A 324 2.255 23.132 10.587 1.00 0.00 N ATOM 306 CA HIS A 324 1.048 22.561 11.219 1.00 0.00 C ATOM 307 C HIS A 324 -0.084 23.600 11.318 1.00 0.00 C ATOM 308 O HIS A 324 -1.243 23.243 11.528 1.00 0.00 O ATOM 309 CB HIS A 324 1.397 22.001 12.619 1.00 0.00 C ATOM 310 CG HIS A 324 1.890 23.033 13.603 1.00 0.00 C ATOM 311 ND1 HIS A 324 3.206 23.183 13.952 1.00 0.00 N ATOM 312 CD2 HIS A 324 1.207 23.975 14.312 1.00 0.00 C ATOM 313 CE1 HIS A 324 3.277 24.183 14.834 1.00 0.00 C ATOM 314 NE2 HIS A 324 2.094 24.696 15.082 1.00 0.00 N ATOM 0 H HIS A 324 3.035 23.248 11.234 1.00 0.00 H new ATOM 0 HA HIS A 324 0.690 21.747 10.589 1.00 0.00 H new ATOM 0 HB2 HIS A 324 0.513 21.517 13.033 1.00 0.00 H new ATOM 0 HB3 HIS A 324 2.160 21.230 12.508 1.00 0.00 H new ATOM 0 HD1 HIS A 324 3.989 22.631 13.602 1.00 0.00 H new ATOM 0 HD2 HIS A 324 0.139 24.132 14.276 1.00 0.00 H new ATOM 0 HE1 HIS A 324 4.195 24.528 15.288 1.00 0.00 H new ATOM 322 N VAL A 325 0.288 24.889 11.169 1.00 0.00 N ATOM 323 CA VAL A 325 -0.643 26.031 11.229 1.00 0.00 C ATOM 324 C VAL A 325 -1.724 25.926 10.124 1.00 0.00 C ATOM 325 O VAL A 325 -2.822 26.441 10.268 1.00 0.00 O ATOM 326 CB VAL A 325 0.140 27.397 11.112 1.00 0.00 C ATOM 327 CG1 VAL A 325 -0.785 28.623 11.331 1.00 0.00 C ATOM 328 CG2 VAL A 325 1.338 27.436 12.093 1.00 0.00 C ATOM 0 H VAL A 325 1.255 25.167 11.002 1.00 0.00 H new ATOM 0 HA VAL A 325 -1.145 26.004 12.196 1.00 0.00 H new ATOM 0 HB VAL A 325 0.523 27.457 10.093 1.00 0.00 H new ATOM 0 HG11 VAL A 325 -0.202 29.539 11.241 1.00 0.00 H new ATOM 0 HG12 VAL A 325 -1.576 28.621 10.581 1.00 0.00 H new ATOM 0 HG13 VAL A 325 -1.228 28.571 12.325 1.00 0.00 H new ATOM 0 HG21 VAL A 325 1.860 28.387 11.992 1.00 0.00 H new ATOM 0 HG22 VAL A 325 0.975 27.328 13.115 1.00 0.00 H new ATOM 0 HG23 VAL A 325 2.023 26.620 11.863 1.00 0.00 H new ATOM 338 N CYS A 326 -1.394 25.239 9.018 1.00 0.00 N ATOM 339 CA CYS A 326 -2.367 24.917 7.948 1.00 0.00 C ATOM 340 C CYS A 326 -2.296 23.427 7.570 1.00 0.00 C ATOM 341 O CYS A 326 -2.972 22.990 6.629 1.00 0.00 O ATOM 342 CB CYS A 326 -2.116 25.808 6.719 1.00 0.00 C ATOM 343 SG CYS A 326 -0.492 25.570 5.934 1.00 0.00 S ATOM 0 H CYS A 326 -0.453 24.891 8.836 1.00 0.00 H new ATOM 0 HA CYS A 326 -3.371 25.116 8.322 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -2.894 25.615 5.981 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -2.212 26.852 7.017 1.00 0.00 H new ATOM 348 N GLY A 327 -1.494 22.655 8.337 1.00 0.00 N ATOM 349 CA GLY A 327 -1.308 21.219 8.105 1.00 0.00 C ATOM 350 C GLY A 327 -0.790 20.890 6.710 1.00 0.00 C ATOM 351 O GLY A 327 -1.401 20.093 5.986 1.00 0.00 O ATOM 0 H GLY A 327 -0.963 23.015 9.130 1.00 0.00 H new ATOM 0 HA2 GLY A 327 -0.610 20.827 8.845 1.00 0.00 H new ATOM 0 HA3 GLY A 327 -2.258 20.708 8.261 1.00 0.00 H new ATOM 355 N GLY A 328 0.332 21.519 6.322 1.00 0.00 N ATOM 356 CA GLY A 328 0.865 21.389 4.964 1.00 0.00 C ATOM 357 C GLY A 328 2.382 21.337 4.929 1.00 0.00 C ATOM 358 O GLY A 328 3.049 22.072 5.665 1.00 0.00 O ATOM 0 H GLY A 328 0.884 22.121 6.933 1.00 0.00 H new ATOM 0 HA2 GLY A 328 0.465 20.484 4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 328 0.521 22.230 4.362 1.00 0.00 H new ATOM 362 N ARG A 329 2.908 20.439 4.070 1.00 0.00 N ATOM 363 CA ARG A 329 4.347 20.348 3.710 1.00 0.00 C ATOM 364 C ARG A 329 4.631 21.216 2.454 1.00 0.00 C ATOM 365 O ARG A 329 5.761 21.258 1.952 1.00 0.00 O ATOM 366 CB ARG A 329 4.760 18.871 3.422 1.00 0.00 C ATOM 367 CG ARG A 329 4.735 17.895 4.629 1.00 0.00 C ATOM 368 CD ARG A 329 3.325 17.563 5.161 1.00 0.00 C ATOM 369 NE ARG A 329 2.390 17.108 4.109 1.00 0.00 N ATOM 370 CZ ARG A 329 2.403 15.912 3.498 1.00 0.00 C ATOM 371 NH1 ARG A 329 3.376 15.036 3.723 1.00 0.00 N ATOM 372 NH2 ARG A 329 1.440 15.612 2.644 1.00 0.00 N ATOM 0 H ARG A 329 2.336 19.741 3.595 1.00 0.00 H new ATOM 0 HA ARG A 329 4.932 20.715 4.554 1.00 0.00 H new ATOM 0 HB2 ARG A 329 4.098 18.476 2.651 1.00 0.00 H new ATOM 0 HB3 ARG A 329 5.768 18.874 3.007 1.00 0.00 H new ATOM 0 HG2 ARG A 329 5.227 16.967 4.338 1.00 0.00 H new ATOM 0 HG3 ARG A 329 5.322 18.326 5.440 1.00 0.00 H new ATOM 0 HD2 ARG A 329 3.406 16.789 5.924 1.00 0.00 H new ATOM 0 HD3 ARG A 329 2.911 18.447 5.647 1.00 0.00 H new ATOM 0 HE ARG A 329 1.666 17.766 3.820 1.00 0.00 H new ATOM 0 HH11 ARG A 329 4.131 15.267 4.369 1.00 0.00 H new ATOM 0 HH12 ARG A 329 3.368 14.133 3.249 1.00 0.00 H new ATOM 0 HH21 ARG A 329 0.698 16.286 2.455 1.00 0.00 H new ATOM 0 HH22 ARG A 329 1.439 14.707 2.174 1.00 0.00 H new ATOM 386 N GLU A 330 3.575 21.905 1.992 1.00 0.00 N ATOM 387 CA GLU A 330 3.555 22.726 0.768 1.00 0.00 C ATOM 388 C GLU A 330 4.545 23.903 0.852 1.00 0.00 C ATOM 389 O GLU A 330 4.472 24.667 1.790 1.00 0.00 O ATOM 390 CB GLU A 330 2.118 23.277 0.594 1.00 0.00 C ATOM 391 CG GLU A 330 1.011 22.205 0.605 1.00 0.00 C ATOM 392 CD GLU A 330 -0.394 22.816 0.695 1.00 0.00 C ATOM 393 OE1 GLU A 330 -0.941 22.914 1.816 1.00 0.00 O ATOM 394 OE2 GLU A 330 -0.944 23.227 -0.347 1.00 0.00 O ATOM 0 H GLU A 330 2.678 21.906 2.478 1.00 0.00 H new ATOM 0 HA GLU A 330 3.853 22.109 -0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 330 1.919 23.993 1.391 1.00 0.00 H new ATOM 0 HB3 GLU A 330 2.065 23.825 -0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 330 1.084 21.601 -0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 330 1.167 21.534 1.450 1.00 0.00 H new ATOM 401 N ALA A 331 5.435 24.035 -0.139 1.00 0.00 N ATOM 402 CA ALA A 331 6.455 25.112 -0.211 1.00 0.00 C ATOM 403 C ALA A 331 7.330 25.188 1.072 1.00 0.00 C ATOM 404 O ALA A 331 7.193 26.136 1.864 1.00 0.00 O ATOM 405 CB ALA A 331 5.806 26.474 -0.544 1.00 0.00 C ATOM 0 H ALA A 331 5.475 23.392 -0.930 1.00 0.00 H new ATOM 0 HA ALA A 331 7.130 24.857 -1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.577 27.243 -0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 331 5.299 26.410 -1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 331 5.083 26.731 0.230 1.00 0.00 H new ATOM 411 N PRO A 332 8.229 24.169 1.315 1.00 0.00 N ATOM 412 CA PRO A 332 9.162 24.176 2.480 1.00 0.00 C ATOM 413 C PRO A 332 10.196 25.328 2.404 1.00 0.00 C ATOM 414 O PRO A 332 10.859 25.655 3.399 1.00 0.00 O ATOM 415 CB PRO A 332 9.832 22.775 2.414 1.00 0.00 C ATOM 416 CG PRO A 332 9.708 22.357 0.978 1.00 0.00 C ATOM 417 CD PRO A 332 8.393 22.928 0.496 1.00 0.00 C ATOM 0 HA PRO A 332 8.649 24.352 3.425 1.00 0.00 H new ATOM 0 HB2 PRO A 332 10.876 22.821 2.724 1.00 0.00 H new ATOM 0 HB3 PRO A 332 9.334 22.067 3.076 1.00 0.00 H new ATOM 0 HG2 PRO A 332 10.540 22.738 0.386 1.00 0.00 H new ATOM 0 HG3 PRO A 332 9.721 21.271 0.884 1.00 0.00 H new ATOM 0 HD2 PRO A 332 8.420 23.152 -0.570 1.00 0.00 H new ATOM 0 HD3 PRO A 332 7.570 22.231 0.655 1.00 0.00 H new ATOM 425 N GLU A 333 10.304 25.923 1.204 1.00 0.00 N ATOM 426 CA GLU A 333 11.104 27.130 0.947 1.00 0.00 C ATOM 427 C GLU A 333 10.567 28.354 1.739 1.00 0.00 C ATOM 428 O GLU A 333 11.348 29.138 2.276 1.00 0.00 O ATOM 429 CB GLU A 333 11.109 27.412 -0.579 1.00 0.00 C ATOM 430 CG GLU A 333 9.703 27.482 -1.222 1.00 0.00 C ATOM 431 CD GLU A 333 9.728 27.657 -2.746 1.00 0.00 C ATOM 432 OE1 GLU A 333 9.523 28.786 -3.242 1.00 0.00 O ATOM 433 OE2 GLU A 333 9.949 26.656 -3.460 1.00 0.00 O ATOM 0 H GLU A 333 9.829 25.572 0.372 1.00 0.00 H new ATOM 0 HA GLU A 333 12.124 26.959 1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 333 11.625 28.355 -0.760 1.00 0.00 H new ATOM 0 HB3 GLU A 333 11.685 26.633 -1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 333 9.157 26.571 -0.979 1.00 0.00 H new ATOM 0 HG3 GLU A 333 9.152 28.312 -0.779 1.00 0.00 H new ATOM 440 N LYS A 334 9.224 28.492 1.826 1.00 0.00 N ATOM 441 CA LYS A 334 8.566 29.558 2.611 1.00 0.00 C ATOM 442 C LYS A 334 8.198 29.085 4.026 1.00 0.00 C ATOM 443 O LYS A 334 7.736 29.890 4.844 1.00 0.00 O ATOM 444 CB LYS A 334 7.321 30.123 1.854 1.00 0.00 C ATOM 445 CG LYS A 334 7.662 31.267 0.859 1.00 0.00 C ATOM 446 CD LYS A 334 8.001 30.827 -0.579 1.00 0.00 C ATOM 447 CE LYS A 334 6.751 30.510 -1.420 1.00 0.00 C ATOM 448 NZ LYS A 334 7.083 30.386 -2.866 1.00 0.00 N ATOM 0 H LYS A 334 8.569 27.868 1.355 1.00 0.00 H new ATOM 0 HA LYS A 334 9.285 30.369 2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 334 6.839 29.311 1.309 1.00 0.00 H new ATOM 0 HB3 LYS A 334 6.599 30.491 2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 334 6.815 31.952 0.819 1.00 0.00 H new ATOM 0 HG3 LYS A 334 8.508 31.828 1.256 1.00 0.00 H new ATOM 0 HD2 LYS A 334 8.572 31.615 -1.069 1.00 0.00 H new ATOM 0 HD3 LYS A 334 8.641 29.945 -0.542 1.00 0.00 H new ATOM 0 HE2 LYS A 334 6.300 29.582 -1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 334 6.009 31.297 -1.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 6.300 29.915 -3.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 7.230 31.333 -3.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 7.951 29.824 -2.976 1.00 0.00 H new ATOM 462 N GLN A 335 8.395 27.787 4.310 1.00 0.00 N ATOM 463 CA GLN A 335 8.230 27.241 5.662 1.00 0.00 C ATOM 464 C GLN A 335 9.547 27.381 6.434 1.00 0.00 C ATOM 465 O GLN A 335 10.378 26.467 6.453 1.00 0.00 O ATOM 466 CB GLN A 335 7.760 25.770 5.626 1.00 0.00 C ATOM 467 CG GLN A 335 6.339 25.581 5.081 1.00 0.00 C ATOM 468 CD GLN A 335 5.828 24.150 5.197 1.00 0.00 C ATOM 469 OE1 GLN A 335 6.238 23.394 6.069 1.00 0.00 O ATOM 470 NE2 GLN A 335 4.874 23.801 4.371 1.00 0.00 N ATOM 0 H GLN A 335 8.671 27.094 3.614 1.00 0.00 H new ATOM 0 HA GLN A 335 7.454 27.809 6.175 1.00 0.00 H new ATOM 0 HB2 GLN A 335 8.453 25.193 5.013 1.00 0.00 H new ATOM 0 HB3 GLN A 335 7.809 25.359 6.634 1.00 0.00 H new ATOM 0 HG2 GLN A 335 5.661 26.245 5.618 1.00 0.00 H new ATOM 0 HG3 GLN A 335 6.317 25.882 4.034 1.00 0.00 H new ATOM 0 HE21 GLN A 335 4.555 24.454 3.655 1.00 0.00 H new ATOM 0 HE22 GLN A 335 4.450 22.876 4.443 1.00 0.00 H new ATOM 479 N LEU A 336 9.728 28.564 7.035 1.00 0.00 N ATOM 480 CA LEU A 336 10.948 28.923 7.761 1.00 0.00 C ATOM 481 C LEU A 336 10.976 28.236 9.133 1.00 0.00 C ATOM 482 O LEU A 336 9.987 28.256 9.873 1.00 0.00 O ATOM 483 CB LEU A 336 11.037 30.461 7.900 1.00 0.00 C ATOM 484 CG LEU A 336 11.031 31.249 6.553 1.00 0.00 C ATOM 485 CD1 LEU A 336 11.027 32.766 6.780 1.00 0.00 C ATOM 486 CD2 LEU A 336 12.219 30.856 5.674 1.00 0.00 C ATOM 0 H LEU A 336 9.025 29.303 7.030 1.00 0.00 H new ATOM 0 HA LEU A 336 11.817 28.577 7.201 1.00 0.00 H new ATOM 0 HB2 LEU A 336 10.200 30.804 8.508 1.00 0.00 H new ATOM 0 HB3 LEU A 336 11.948 30.709 8.444 1.00 0.00 H new ATOM 0 HG LEU A 336 10.110 30.980 6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 336 11.023 33.278 5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 336 10.138 33.047 7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 336 11.917 33.053 7.340 1.00 0.00 H new ATOM 0 HD21 LEU A 336 12.186 31.422 4.743 1.00 0.00 H new ATOM 0 HD22 LEU A 336 13.149 31.075 6.199 1.00 0.00 H new ATOM 0 HD23 LEU A 336 12.170 29.790 5.452 1.00 0.00 H new ATOM 498 N LEU A 337 12.135 27.655 9.459 1.00 0.00 N ATOM 499 CA LEU A 337 12.346 26.858 10.673 1.00 0.00 C ATOM 500 C LEU A 337 12.762 27.772 11.831 1.00 0.00 C ATOM 501 O LEU A 337 13.918 28.195 11.920 1.00 0.00 O ATOM 502 CB LEU A 337 13.418 25.755 10.406 1.00 0.00 C ATOM 503 CG LEU A 337 12.903 24.506 9.614 1.00 0.00 C ATOM 504 CD1 LEU A 337 14.061 23.638 9.075 1.00 0.00 C ATOM 505 CD2 LEU A 337 11.954 23.655 10.499 1.00 0.00 C ATOM 0 H LEU A 337 12.969 27.726 8.876 1.00 0.00 H new ATOM 0 HA LEU A 337 11.415 26.363 10.951 1.00 0.00 H new ATOM 0 HB2 LEU A 337 14.245 26.200 9.853 1.00 0.00 H new ATOM 0 HB3 LEU A 337 13.818 25.420 11.363 1.00 0.00 H new ATOM 0 HG LEU A 337 12.349 24.877 8.752 1.00 0.00 H new ATOM 0 HD11 LEU A 337 13.654 22.784 8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 337 14.679 24.233 8.403 1.00 0.00 H new ATOM 0 HD13 LEU A 337 14.668 23.283 9.908 1.00 0.00 H new ATOM 0 HD21 LEU A 337 11.606 22.791 9.933 1.00 0.00 H new ATOM 0 HD22 LEU A 337 12.490 23.316 11.385 1.00 0.00 H new ATOM 0 HD23 LEU A 337 11.099 24.260 10.801 1.00 0.00 H new ATOM 517 N CYS A 338 11.774 28.105 12.674 1.00 0.00 N ATOM 518 CA CYS A 338 11.965 28.878 13.909 1.00 0.00 C ATOM 519 C CYS A 338 12.784 28.042 14.894 1.00 0.00 C ATOM 520 O CYS A 338 12.291 27.015 15.370 1.00 0.00 O ATOM 521 CB CYS A 338 10.586 29.223 14.506 1.00 0.00 C ATOM 522 SG CYS A 338 10.561 30.597 15.686 1.00 0.00 S ATOM 0 H CYS A 338 10.802 27.840 12.513 1.00 0.00 H new ATOM 0 HA CYS A 338 12.499 29.805 13.701 1.00 0.00 H new ATOM 0 HB2 CYS A 338 9.905 29.459 13.688 1.00 0.00 H new ATOM 0 HB3 CYS A 338 10.193 28.335 15.002 1.00 0.00 H new ATOM 527 N ASP A 339 14.017 28.490 15.162 1.00 0.00 N ATOM 528 CA ASP A 339 15.047 27.733 15.921 1.00 0.00 C ATOM 529 C ASP A 339 14.529 27.170 17.267 1.00 0.00 C ATOM 530 O ASP A 339 14.576 25.960 17.507 1.00 0.00 O ATOM 531 CB ASP A 339 16.266 28.662 16.159 1.00 0.00 C ATOM 532 CG ASP A 339 17.359 28.059 17.066 1.00 0.00 C ATOM 533 OD1 ASP A 339 17.602 28.606 18.167 1.00 0.00 O ATOM 534 OD2 ASP A 339 17.980 27.045 16.682 1.00 0.00 O ATOM 0 H ASP A 339 14.343 29.407 14.855 1.00 0.00 H new ATOM 0 HA ASP A 339 15.328 26.865 15.324 1.00 0.00 H new ATOM 0 HB2 ASP A 339 16.709 28.914 15.195 1.00 0.00 H new ATOM 0 HB3 ASP A 339 15.916 29.594 16.603 1.00 0.00 H new ATOM 539 N GLU A 340 14.034 28.065 18.114 1.00 0.00 N ATOM 540 CA GLU A 340 13.582 27.749 19.486 1.00 0.00 C ATOM 541 C GLU A 340 12.234 26.972 19.504 1.00 0.00 C ATOM 542 O GLU A 340 11.865 26.377 20.518 1.00 0.00 O ATOM 543 CB GLU A 340 13.512 29.075 20.312 1.00 0.00 C ATOM 544 CG GLU A 340 12.288 29.997 20.075 1.00 0.00 C ATOM 545 CD GLU A 340 11.897 30.171 18.596 1.00 0.00 C ATOM 546 OE1 GLU A 340 12.703 30.670 17.798 1.00 0.00 O ATOM 547 OE2 GLU A 340 10.785 29.769 18.221 1.00 0.00 O ATOM 0 H GLU A 340 13.929 29.051 17.873 1.00 0.00 H new ATOM 0 HA GLU A 340 14.305 27.078 19.949 1.00 0.00 H new ATOM 0 HB2 GLU A 340 13.538 28.815 21.370 1.00 0.00 H new ATOM 0 HB3 GLU A 340 14.414 29.651 20.103 1.00 0.00 H new ATOM 0 HG2 GLU A 340 11.434 29.593 20.618 1.00 0.00 H new ATOM 0 HG3 GLU A 340 12.501 30.978 20.499 1.00 0.00 H new ATOM 554 N CYS A 341 11.489 27.036 18.383 1.00 0.00 N ATOM 555 CA CYS A 341 10.252 26.234 18.153 1.00 0.00 C ATOM 556 C CYS A 341 10.600 24.858 17.556 1.00 0.00 C ATOM 557 O CYS A 341 9.851 23.895 17.731 1.00 0.00 O ATOM 558 CB CYS A 341 9.264 26.975 17.193 1.00 0.00 C ATOM 559 SG CYS A 341 8.304 28.336 17.941 1.00 0.00 S ATOM 0 H CYS A 341 11.723 27.647 17.601 1.00 0.00 H new ATOM 0 HA CYS A 341 9.768 26.100 19.121 1.00 0.00 H new ATOM 0 HB2 CYS A 341 9.833 27.375 16.354 1.00 0.00 H new ATOM 0 HB3 CYS A 341 8.566 26.244 16.785 1.00 0.00 H new ATOM 564 N ASP A 342 11.746 24.801 16.841 1.00 0.00 N ATOM 565 CA ASP A 342 12.161 23.655 15.995 1.00 0.00 C ATOM 566 C ASP A 342 11.068 23.269 14.982 1.00 0.00 C ATOM 567 O ASP A 342 10.919 22.093 14.623 1.00 0.00 O ATOM 568 CB ASP A 342 12.606 22.432 16.865 1.00 0.00 C ATOM 569 CG ASP A 342 14.083 22.501 17.270 1.00 0.00 C ATOM 570 OD1 ASP A 342 14.937 22.032 16.487 1.00 0.00 O ATOM 571 OD2 ASP A 342 14.393 23.010 18.365 1.00 0.00 O ATOM 0 H ASP A 342 12.423 25.564 16.835 1.00 0.00 H new ATOM 0 HA ASP A 342 13.029 23.975 15.419 1.00 0.00 H new ATOM 0 HB2 ASP A 342 11.989 22.386 17.762 1.00 0.00 H new ATOM 0 HB3 ASP A 342 12.429 21.512 16.309 1.00 0.00 H new ATOM 576 N MET A 343 10.352 24.284 14.480 1.00 0.00 N ATOM 577 CA MET A 343 9.139 24.083 13.678 1.00 0.00 C ATOM 578 C MET A 343 9.127 25.021 12.465 1.00 0.00 C ATOM 579 O MET A 343 9.533 26.187 12.566 1.00 0.00 O ATOM 580 CB MET A 343 7.895 24.338 14.558 1.00 0.00 C ATOM 581 CG MET A 343 6.574 23.914 13.915 1.00 0.00 C ATOM 582 SD MET A 343 6.450 22.125 13.696 1.00 0.00 S ATOM 583 CE MET A 343 6.640 21.544 15.387 1.00 0.00 C ATOM 0 H MET A 343 10.597 25.264 14.618 1.00 0.00 H new ATOM 0 HA MET A 343 9.124 23.056 13.313 1.00 0.00 H new ATOM 0 HB2 MET A 343 8.015 23.804 15.501 1.00 0.00 H new ATOM 0 HB3 MET A 343 7.845 25.400 14.798 1.00 0.00 H new ATOM 0 HG2 MET A 343 5.746 24.259 14.534 1.00 0.00 H new ATOM 0 HG3 MET A 343 6.473 24.403 12.946 1.00 0.00 H new ATOM 0 HE1 MET A 343 6.004 20.673 15.546 1.00 0.00 H new ATOM 0 HE2 MET A 343 7.680 21.271 15.563 1.00 0.00 H new ATOM 0 HE3 MET A 343 6.350 22.335 16.078 1.00 0.00 H new ATOM 593 N ALA A 344 8.649 24.486 11.331 1.00 0.00 N ATOM 594 CA ALA A 344 8.512 25.224 10.076 1.00 0.00 C ATOM 595 C ALA A 344 7.172 25.979 10.045 1.00 0.00 C ATOM 596 O ALA A 344 6.130 25.424 10.407 1.00 0.00 O ATOM 597 CB ALA A 344 8.640 24.249 8.892 1.00 0.00 C ATOM 0 H ALA A 344 8.344 23.515 11.264 1.00 0.00 H new ATOM 0 HA ALA A 344 9.307 25.965 9.997 1.00 0.00 H new ATOM 0 HB1 ALA A 344 8.538 24.798 7.956 1.00 0.00 H new ATOM 0 HB2 ALA A 344 9.616 23.764 8.924 1.00 0.00 H new ATOM 0 HB3 ALA A 344 7.857 23.493 8.957 1.00 0.00 H new ATOM 603 N PHE A 345 7.213 27.256 9.636 1.00 0.00 N ATOM 604 CA PHE A 345 6.022 28.123 9.540 1.00 0.00 C ATOM 605 C PHE A 345 6.055 28.865 8.204 1.00 0.00 C ATOM 606 O PHE A 345 7.086 29.443 7.853 1.00 0.00 O ATOM 607 CB PHE A 345 5.986 29.176 10.682 1.00 0.00 C ATOM 608 CG PHE A 345 6.011 28.605 12.092 1.00 0.00 C ATOM 609 CD1 PHE A 345 4.874 28.030 12.648 1.00 0.00 C ATOM 610 CD2 PHE A 345 7.166 28.663 12.868 1.00 0.00 C ATOM 611 CE1 PHE A 345 4.890 27.522 13.933 1.00 0.00 C ATOM 612 CE2 PHE A 345 7.180 28.155 14.149 1.00 0.00 C ATOM 613 CZ PHE A 345 6.045 27.591 14.682 1.00 0.00 C ATOM 0 H PHE A 345 8.077 27.722 9.360 1.00 0.00 H new ATOM 0 HA PHE A 345 5.138 27.491 9.621 1.00 0.00 H new ATOM 0 HB2 PHE A 345 6.838 29.846 10.564 1.00 0.00 H new ATOM 0 HB3 PHE A 345 5.086 29.781 10.568 1.00 0.00 H new ATOM 0 HD1 PHE A 345 3.965 27.980 12.067 1.00 0.00 H new ATOM 0 HD2 PHE A 345 8.061 29.111 12.461 1.00 0.00 H new ATOM 0 HE1 PHE A 345 4.000 27.072 14.349 1.00 0.00 H new ATOM 0 HE2 PHE A 345 8.085 28.200 14.736 1.00 0.00 H new ATOM 0 HZ PHE A 345 6.058 27.201 15.689 1.00 0.00 H new ATOM 623 N HIS A 346 4.929 28.842 7.459 1.00 0.00 N ATOM 624 CA HIS A 346 4.766 29.704 6.274 1.00 0.00 C ATOM 625 C HIS A 346 4.796 31.172 6.679 1.00 0.00 C ATOM 626 O HIS A 346 4.256 31.542 7.723 1.00 0.00 O ATOM 627 CB HIS A 346 3.434 29.462 5.529 1.00 0.00 C ATOM 628 CG HIS A 346 3.394 28.265 4.637 1.00 0.00 C ATOM 629 ND1 HIS A 346 2.474 27.278 4.838 1.00 0.00 N ATOM 630 CD2 HIS A 346 4.095 27.999 3.511 1.00 0.00 C ATOM 631 CE1 HIS A 346 2.615 26.438 3.840 1.00 0.00 C ATOM 632 NE2 HIS A 346 3.588 26.837 3.006 1.00 0.00 N ATOM 0 H HIS A 346 4.128 28.242 7.656 1.00 0.00 H new ATOM 0 HA HIS A 346 5.593 29.452 5.610 1.00 0.00 H new ATOM 0 HB2 HIS A 346 2.639 29.367 6.268 1.00 0.00 H new ATOM 0 HB3 HIS A 346 3.209 30.345 4.931 1.00 0.00 H new ATOM 0 HD2 HIS A 346 4.897 28.590 3.094 1.00 0.00 H new ATOM 0 HE1 HIS A 346 2.025 25.543 3.707 1.00 0.00 H new ATOM 0 HE2 HIS A 346 3.891 26.362 2.156 1.00 0.00 H new ATOM 640 N LEU A 347 5.387 31.973 5.804 1.00 0.00 N ATOM 641 CA LEU A 347 5.329 33.435 5.845 1.00 0.00 C ATOM 642 C LEU A 347 3.874 33.945 5.880 1.00 0.00 C ATOM 643 O LEU A 347 3.539 34.870 6.618 1.00 0.00 O ATOM 644 CB LEU A 347 6.063 33.955 4.596 1.00 0.00 C ATOM 645 CG LEU A 347 7.599 33.704 4.588 1.00 0.00 C ATOM 646 CD1 LEU A 347 8.186 33.897 3.188 1.00 0.00 C ATOM 647 CD2 LEU A 347 8.301 34.608 5.628 1.00 0.00 C ATOM 0 H LEU A 347 5.937 31.618 5.022 1.00 0.00 H new ATOM 0 HA LEU A 347 5.804 33.803 6.754 1.00 0.00 H new ATOM 0 HB2 LEU A 347 5.628 33.485 3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 347 5.884 35.026 4.507 1.00 0.00 H new ATOM 0 HG LEU A 347 7.777 32.666 4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 347 9.260 33.715 3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 347 7.717 33.197 2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 347 8.000 34.917 2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 347 9.374 34.419 5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 347 8.112 35.654 5.387 1.00 0.00 H new ATOM 0 HD23 LEU A 347 7.912 34.389 6.622 1.00 0.00 H new ATOM 659 N TYR A 348 3.015 33.268 5.114 1.00 0.00 N ATOM 660 CA TYR A 348 1.610 33.666 4.890 1.00 0.00 C ATOM 661 C TYR A 348 0.698 33.111 6.013 1.00 0.00 C ATOM 662 O TYR A 348 -0.500 33.391 6.042 1.00 0.00 O ATOM 663 CB TYR A 348 1.156 33.162 3.484 1.00 0.00 C ATOM 664 CG TYR A 348 2.256 33.294 2.417 1.00 0.00 C ATOM 665 CD1 TYR A 348 2.506 34.508 1.773 1.00 0.00 C ATOM 666 CD2 TYR A 348 3.091 32.212 2.110 1.00 0.00 C ATOM 667 CE1 TYR A 348 3.540 34.634 0.865 1.00 0.00 C ATOM 668 CE2 TYR A 348 4.116 32.334 1.197 1.00 0.00 C ATOM 669 CZ TYR A 348 4.343 33.547 0.582 1.00 0.00 C ATOM 670 OH TYR A 348 5.381 33.673 -0.324 1.00 0.00 O ATOM 0 H TYR A 348 3.274 32.413 4.621 1.00 0.00 H new ATOM 0 HA TYR A 348 1.528 34.753 4.918 1.00 0.00 H new ATOM 0 HB2 TYR A 348 0.853 32.118 3.558 1.00 0.00 H new ATOM 0 HB3 TYR A 348 0.279 33.727 3.167 1.00 0.00 H new ATOM 0 HD1 TYR A 348 1.881 35.362 1.988 1.00 0.00 H new ATOM 0 HD2 TYR A 348 2.928 31.263 2.599 1.00 0.00 H new ATOM 0 HE1 TYR A 348 3.720 35.581 0.378 1.00 0.00 H new ATOM 0 HE2 TYR A 348 4.739 31.483 0.964 1.00 0.00 H new ATOM 0 HH TYR A 348 5.709 34.597 -0.320 1.00 0.00 H new ATOM 680 N CYS A 349 1.288 32.321 6.936 1.00 0.00 N ATOM 681 CA CYS A 349 0.586 31.771 8.117 1.00 0.00 C ATOM 682 C CYS A 349 1.029 32.504 9.402 1.00 0.00 C ATOM 683 O CYS A 349 0.786 32.031 10.518 1.00 0.00 O ATOM 684 CB CYS A 349 0.853 30.252 8.219 1.00 0.00 C ATOM 685 SG CYS A 349 0.217 29.300 6.802 1.00 0.00 S ATOM 0 H CYS A 349 2.269 32.045 6.883 1.00 0.00 H new ATOM 0 HA CYS A 349 -0.487 31.928 8.002 1.00 0.00 H new ATOM 0 HB2 CYS A 349 1.927 30.086 8.304 1.00 0.00 H new ATOM 0 HB3 CYS A 349 0.398 29.873 9.134 1.00 0.00 H new ATOM 690 N LEU A 350 1.679 33.672 9.224 1.00 0.00 N ATOM 691 CA LEU A 350 2.149 34.532 10.330 1.00 0.00 C ATOM 692 C LEU A 350 1.218 35.741 10.506 1.00 0.00 C ATOM 693 O LEU A 350 0.313 35.960 9.698 1.00 0.00 O ATOM 694 CB LEU A 350 3.585 35.043 10.039 1.00 0.00 C ATOM 695 CG LEU A 350 4.658 33.965 9.718 1.00 0.00 C ATOM 696 CD1 LEU A 350 6.018 34.620 9.422 1.00 0.00 C ATOM 697 CD2 LEU A 350 4.767 32.897 10.836 1.00 0.00 C ATOM 0 H LEU A 350 1.894 34.048 8.301 1.00 0.00 H new ATOM 0 HA LEU A 350 2.148 33.938 11.244 1.00 0.00 H new ATOM 0 HB2 LEU A 350 3.536 35.735 9.198 1.00 0.00 H new ATOM 0 HB3 LEU A 350 3.924 35.614 10.903 1.00 0.00 H new ATOM 0 HG LEU A 350 4.335 33.439 8.819 1.00 0.00 H new ATOM 0 HD11 LEU A 350 6.754 33.847 9.200 1.00 0.00 H new ATOM 0 HD12 LEU A 350 5.922 35.286 8.565 1.00 0.00 H new ATOM 0 HD13 LEU A 350 6.343 35.192 10.291 1.00 0.00 H new ATOM 0 HD21 LEU A 350 5.529 32.165 10.567 1.00 0.00 H new ATOM 0 HD22 LEU A 350 5.042 33.379 11.774 1.00 0.00 H new ATOM 0 HD23 LEU A 350 3.807 32.394 10.954 1.00 0.00 H new ATOM 709 N LYS A 351 1.472 36.532 11.561 1.00 0.00 N ATOM 710 CA LYS A 351 0.839 37.848 11.756 1.00 0.00 C ATOM 711 C LYS A 351 1.951 38.895 12.027 1.00 0.00 C ATOM 712 O LYS A 351 2.549 38.881 13.109 1.00 0.00 O ATOM 713 CB LYS A 351 -0.209 37.801 12.900 1.00 0.00 C ATOM 714 CG LYS A 351 -0.973 39.129 13.142 1.00 0.00 C ATOM 715 CD LYS A 351 -1.706 39.667 11.881 1.00 0.00 C ATOM 716 CE LYS A 351 -2.802 38.730 11.351 1.00 0.00 C ATOM 717 NZ LYS A 351 -3.869 38.491 12.351 1.00 0.00 N ATOM 0 H LYS A 351 2.123 36.277 12.304 1.00 0.00 H new ATOM 0 HA LYS A 351 0.295 38.135 10.856 1.00 0.00 H new ATOM 0 HB2 LYS A 351 -0.933 37.018 12.677 1.00 0.00 H new ATOM 0 HB3 LYS A 351 0.295 37.516 13.823 1.00 0.00 H new ATOM 0 HG2 LYS A 351 -1.702 38.979 13.939 1.00 0.00 H new ATOM 0 HG3 LYS A 351 -0.269 39.884 13.492 1.00 0.00 H new ATOM 0 HD2 LYS A 351 -2.151 40.634 12.116 1.00 0.00 H new ATOM 0 HD3 LYS A 351 -0.974 39.837 11.092 1.00 0.00 H new ATOM 0 HE2 LYS A 351 -3.241 39.160 10.451 1.00 0.00 H new ATOM 0 HE3 LYS A 351 -2.356 37.778 11.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 -4.627 37.923 11.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 -3.473 37.980 13.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 -4.257 39.402 12.669 1.00 0.00 H new ATOM 731 N PRO A 352 2.277 39.812 11.049 1.00 0.00 N ATOM 732 CA PRO A 352 1.596 39.933 9.728 1.00 0.00 C ATOM 733 C PRO A 352 2.035 38.833 8.720 1.00 0.00 C ATOM 734 O PRO A 352 3.159 38.319 8.818 1.00 0.00 O ATOM 735 CB PRO A 352 2.031 41.342 9.258 1.00 0.00 C ATOM 736 CG PRO A 352 3.412 41.493 9.816 1.00 0.00 C ATOM 737 CD PRO A 352 3.371 40.813 11.173 1.00 0.00 C ATOM 0 HA PRO A 352 0.516 39.804 9.798 1.00 0.00 H new ATOM 0 HB2 PRO A 352 2.028 41.420 8.171 1.00 0.00 H new ATOM 0 HB3 PRO A 352 1.360 42.114 9.635 1.00 0.00 H new ATOM 0 HG2 PRO A 352 4.152 41.028 9.165 1.00 0.00 H new ATOM 0 HG3 PRO A 352 3.686 42.544 9.910 1.00 0.00 H new ATOM 0 HD2 PRO A 352 4.322 40.336 11.408 1.00 0.00 H new ATOM 0 HD3 PRO A 352 3.168 41.528 11.970 1.00 0.00 H new ATOM 745 N PRO A 353 1.130 38.426 7.760 1.00 0.00 N ATOM 746 CA PRO A 353 1.463 37.435 6.721 1.00 0.00 C ATOM 747 C PRO A 353 2.485 38.008 5.729 1.00 0.00 C ATOM 748 O PRO A 353 2.138 38.817 4.861 1.00 0.00 O ATOM 749 CB PRO A 353 0.102 37.119 6.035 1.00 0.00 C ATOM 750 CG PRO A 353 -0.935 37.709 6.944 1.00 0.00 C ATOM 751 CD PRO A 353 -0.273 38.884 7.617 1.00 0.00 C ATOM 0 HA PRO A 353 1.926 36.536 7.128 1.00 0.00 H new ATOM 0 HB2 PRO A 353 0.050 37.559 5.039 1.00 0.00 H new ATOM 0 HB3 PRO A 353 -0.041 36.045 5.917 1.00 0.00 H new ATOM 0 HG2 PRO A 353 -1.813 38.025 6.381 1.00 0.00 H new ATOM 0 HG3 PRO A 353 -1.273 36.978 7.678 1.00 0.00 H new ATOM 0 HD2 PRO A 353 -0.344 39.789 7.014 1.00 0.00 H new ATOM 0 HD3 PRO A 353 -0.727 39.107 8.582 1.00 0.00 H new ATOM 759 N LEU A 354 3.745 37.616 5.915 1.00 0.00 N ATOM 760 CA LEU A 354 4.881 38.132 5.133 1.00 0.00 C ATOM 761 C LEU A 354 4.826 37.615 3.688 1.00 0.00 C ATOM 762 O LEU A 354 4.515 36.447 3.452 1.00 0.00 O ATOM 763 CB LEU A 354 6.211 37.734 5.827 1.00 0.00 C ATOM 764 CG LEU A 354 6.365 38.239 7.299 1.00 0.00 C ATOM 765 CD1 LEU A 354 7.645 37.684 7.962 1.00 0.00 C ATOM 766 CD2 LEU A 354 6.321 39.785 7.379 1.00 0.00 C ATOM 0 H LEU A 354 4.014 36.926 6.617 1.00 0.00 H new ATOM 0 HA LEU A 354 4.824 39.220 5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 354 6.296 36.647 5.821 1.00 0.00 H new ATOM 0 HB3 LEU A 354 7.041 38.122 5.237 1.00 0.00 H new ATOM 0 HG LEU A 354 5.512 37.855 7.859 1.00 0.00 H new ATOM 0 HD11 LEU A 354 7.717 38.057 8.984 1.00 0.00 H new ATOM 0 HD12 LEU A 354 7.605 36.595 7.976 1.00 0.00 H new ATOM 0 HD13 LEU A 354 8.518 38.008 7.395 1.00 0.00 H new ATOM 0 HD21 LEU A 354 6.431 40.099 8.417 1.00 0.00 H new ATOM 0 HD22 LEU A 354 7.134 40.203 6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 354 5.367 40.142 6.991 1.00 0.00 H new ATOM 778 N THR A 355 5.110 38.512 2.738 1.00 0.00 N ATOM 779 CA THR A 355 5.043 38.215 1.294 1.00 0.00 C ATOM 780 C THR A 355 6.285 37.419 0.825 1.00 0.00 C ATOM 781 O THR A 355 6.194 36.582 -0.080 1.00 0.00 O ATOM 782 CB THR A 355 4.892 39.537 0.461 1.00 0.00 C ATOM 783 OG1 THR A 355 4.704 39.231 -0.925 1.00 0.00 O ATOM 784 CG2 THR A 355 6.105 40.473 0.610 1.00 0.00 C ATOM 0 H THR A 355 5.394 39.470 2.945 1.00 0.00 H new ATOM 0 HA THR A 355 4.163 37.595 1.124 1.00 0.00 H new ATOM 0 HB THR A 355 4.019 40.056 0.856 1.00 0.00 H new ATOM 0 HG1 THR A 355 4.610 40.063 -1.434 1.00 0.00 H new ATOM 0 HG21 THR A 355 5.947 41.371 0.013 1.00 0.00 H new ATOM 0 HG22 THR A 355 6.224 40.750 1.657 1.00 0.00 H new ATOM 0 HG23 THR A 355 7.004 39.962 0.265 1.00 0.00 H new ATOM 792 N SER A 356 7.438 37.685 1.463 1.00 0.00 N ATOM 793 CA SER A 356 8.716 37.037 1.136 1.00 0.00 C ATOM 794 C SER A 356 9.572 36.913 2.413 1.00 0.00 C ATOM 795 O SER A 356 9.237 37.495 3.457 1.00 0.00 O ATOM 796 CB SER A 356 9.463 37.832 0.036 1.00 0.00 C ATOM 797 OG SER A 356 10.644 37.161 -0.389 1.00 0.00 O ATOM 0 H SER A 356 7.508 38.360 2.224 1.00 0.00 H new ATOM 0 HA SER A 356 8.524 36.037 0.746 1.00 0.00 H new ATOM 0 HB2 SER A 356 8.802 37.981 -0.818 1.00 0.00 H new ATOM 0 HB3 SER A 356 9.722 38.821 0.414 1.00 0.00 H new ATOM 0 HG SER A 356 11.089 37.690 -1.084 1.00 0.00 H new ATOM 803 N VAL A 357 10.656 36.118 2.314 1.00 0.00 N ATOM 804 CA VAL A 357 11.548 35.806 3.446 1.00 0.00 C ATOM 805 C VAL A 357 12.270 37.086 3.930 1.00 0.00 C ATOM 806 O VAL A 357 12.848 37.802 3.101 1.00 0.00 O ATOM 807 CB VAL A 357 12.605 34.700 3.045 1.00 0.00 C ATOM 808 CG1 VAL A 357 13.589 34.376 4.204 1.00 0.00 C ATOM 809 CG2 VAL A 357 11.898 33.414 2.546 1.00 0.00 C ATOM 0 H VAL A 357 10.938 35.672 1.441 1.00 0.00 H new ATOM 0 HA VAL A 357 10.938 35.415 4.261 1.00 0.00 H new ATOM 0 HB VAL A 357 13.198 35.109 2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 357 14.295 33.611 3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 357 14.134 35.278 4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 357 13.029 34.011 5.065 1.00 0.00 H new ATOM 0 HG21 VAL A 357 12.646 32.669 2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 357 11.261 33.019 3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 357 11.289 33.649 1.673 1.00 0.00 H new ATOM 819 N PRO A 358 12.210 37.425 5.262 1.00 0.00 N ATOM 820 CA PRO A 358 12.940 38.588 5.817 1.00 0.00 C ATOM 821 C PRO A 358 14.477 38.442 5.650 1.00 0.00 C ATOM 822 O PRO A 358 15.002 37.330 5.779 1.00 0.00 O ATOM 823 CB PRO A 358 12.535 38.599 7.323 1.00 0.00 C ATOM 824 CG PRO A 358 11.280 37.783 7.385 1.00 0.00 C ATOM 825 CD PRO A 358 11.434 36.725 6.318 1.00 0.00 C ATOM 0 HA PRO A 358 12.688 39.516 5.303 1.00 0.00 H new ATOM 0 HB2 PRO A 358 13.318 38.169 7.947 1.00 0.00 H new ATOM 0 HB3 PRO A 358 12.365 39.615 7.680 1.00 0.00 H new ATOM 0 HG2 PRO A 358 11.153 37.332 8.369 1.00 0.00 H new ATOM 0 HG3 PRO A 358 10.401 38.401 7.201 1.00 0.00 H new ATOM 0 HD2 PRO A 358 11.962 35.848 6.693 1.00 0.00 H new ATOM 0 HD3 PRO A 358 10.468 36.381 5.948 1.00 0.00 H new ATOM 833 N PRO A 359 15.228 39.565 5.400 1.00 0.00 N ATOM 834 CA PRO A 359 16.710 39.533 5.236 1.00 0.00 C ATOM 835 C PRO A 359 17.469 39.446 6.584 1.00 0.00 C ATOM 836 O PRO A 359 18.696 39.587 6.630 1.00 0.00 O ATOM 837 CB PRO A 359 16.984 40.871 4.515 1.00 0.00 C ATOM 838 CG PRO A 359 15.949 41.803 5.071 1.00 0.00 C ATOM 839 CD PRO A 359 14.701 40.957 5.258 1.00 0.00 C ATOM 0 HA PRO A 359 17.055 38.653 4.693 1.00 0.00 H new ATOM 0 HB2 PRO A 359 17.993 41.232 4.713 1.00 0.00 H new ATOM 0 HB3 PRO A 359 16.889 40.768 3.434 1.00 0.00 H new ATOM 0 HG2 PRO A 359 16.277 42.234 6.017 1.00 0.00 H new ATOM 0 HG3 PRO A 359 15.762 42.633 4.390 1.00 0.00 H new ATOM 0 HD2 PRO A 359 14.139 41.263 6.140 1.00 0.00 H new ATOM 0 HD3 PRO A 359 14.028 41.044 4.405 1.00 0.00 H new ATOM 847 N GLU A 360 16.712 39.203 7.661 1.00 0.00 N ATOM 848 CA GLU A 360 17.233 39.094 9.024 1.00 0.00 C ATOM 849 C GLU A 360 18.110 37.824 9.171 1.00 0.00 C ATOM 850 O GLU A 360 17.740 36.769 8.649 1.00 0.00 O ATOM 851 CB GLU A 360 16.036 39.041 10.014 1.00 0.00 C ATOM 852 CG GLU A 360 14.971 40.139 9.817 1.00 0.00 C ATOM 853 CD GLU A 360 15.489 41.559 10.082 1.00 0.00 C ATOM 854 OE1 GLU A 360 15.902 42.247 9.126 1.00 0.00 O ATOM 855 OE2 GLU A 360 15.501 41.988 11.260 1.00 0.00 O ATOM 0 H GLU A 360 15.702 39.075 7.606 1.00 0.00 H new ATOM 0 HA GLU A 360 17.856 39.960 9.246 1.00 0.00 H new ATOM 0 HB2 GLU A 360 15.553 38.068 9.923 1.00 0.00 H new ATOM 0 HB3 GLU A 360 16.423 39.111 11.031 1.00 0.00 H new ATOM 0 HG2 GLU A 360 14.592 40.085 8.797 1.00 0.00 H new ATOM 0 HG3 GLU A 360 14.130 39.939 10.481 1.00 0.00 H new ATOM 862 N PRO A 361 19.282 37.904 9.883 1.00 0.00 N ATOM 863 CA PRO A 361 20.140 36.717 10.156 1.00 0.00 C ATOM 864 C PRO A 361 19.493 35.766 11.194 1.00 0.00 C ATOM 865 O PRO A 361 19.894 34.606 11.339 1.00 0.00 O ATOM 866 CB PRO A 361 21.442 37.351 10.700 1.00 0.00 C ATOM 867 CG PRO A 361 20.987 38.626 11.344 1.00 0.00 C ATOM 868 CD PRO A 361 19.862 39.143 10.471 1.00 0.00 C ATOM 0 HA PRO A 361 20.299 36.095 9.276 1.00 0.00 H new ATOM 0 HB2 PRO A 361 21.935 36.695 11.418 1.00 0.00 H new ATOM 0 HB3 PRO A 361 22.157 37.542 9.900 1.00 0.00 H new ATOM 0 HG2 PRO A 361 20.643 38.450 12.363 1.00 0.00 H new ATOM 0 HG3 PRO A 361 21.801 39.348 11.403 1.00 0.00 H new ATOM 0 HD2 PRO A 361 19.124 39.695 11.053 1.00 0.00 H new ATOM 0 HD3 PRO A 361 20.231 39.819 9.700 1.00 0.00 H new ATOM 876 N GLU A 362 18.485 36.292 11.906 1.00 0.00 N ATOM 877 CA GLU A 362 17.705 35.564 12.913 1.00 0.00 C ATOM 878 C GLU A 362 16.222 35.611 12.524 1.00 0.00 C ATOM 879 O GLU A 362 15.767 36.593 11.929 1.00 0.00 O ATOM 880 CB GLU A 362 17.938 36.194 14.305 1.00 0.00 C ATOM 881 CG GLU A 362 17.596 37.693 14.403 1.00 0.00 C ATOM 882 CD GLU A 362 17.791 38.257 15.817 1.00 0.00 C ATOM 883 OE1 GLU A 362 18.954 38.404 16.248 1.00 0.00 O ATOM 884 OE2 GLU A 362 16.789 38.565 16.500 1.00 0.00 O ATOM 0 H GLU A 362 18.184 37.260 11.793 1.00 0.00 H new ATOM 0 HA GLU A 362 18.022 34.522 12.957 1.00 0.00 H new ATOM 0 HB2 GLU A 362 17.341 35.651 15.038 1.00 0.00 H new ATOM 0 HB3 GLU A 362 18.984 36.056 14.580 1.00 0.00 H new ATOM 0 HG2 GLU A 362 18.221 38.250 13.705 1.00 0.00 H new ATOM 0 HG3 GLU A 362 16.561 37.846 14.095 1.00 0.00 H new ATOM 891 N TRP A 363 15.475 34.552 12.853 1.00 0.00 N ATOM 892 CA TRP A 363 14.045 34.453 12.529 1.00 0.00 C ATOM 893 C TRP A 363 13.308 33.751 13.677 1.00 0.00 C ATOM 894 O TRP A 363 13.396 32.527 13.856 1.00 0.00 O ATOM 895 CB TRP A 363 13.842 33.707 11.188 1.00 0.00 C ATOM 896 CG TRP A 363 12.439 33.817 10.619 1.00 0.00 C ATOM 897 CD1 TRP A 363 11.963 34.801 9.791 1.00 0.00 C ATOM 898 CD2 TRP A 363 11.334 32.920 10.839 1.00 0.00 C ATOM 899 NE1 TRP A 363 10.655 34.556 9.472 1.00 0.00 N ATOM 900 CE2 TRP A 363 10.250 33.411 10.101 1.00 0.00 C ATOM 901 CE3 TRP A 363 11.160 31.742 11.573 1.00 0.00 C ATOM 902 CZ2 TRP A 363 9.021 32.776 10.073 1.00 0.00 C ATOM 903 CZ3 TRP A 363 9.927 31.119 11.553 1.00 0.00 C ATOM 904 CH2 TRP A 363 8.874 31.634 10.800 1.00 0.00 C ATOM 0 H TRP A 363 15.842 33.740 13.350 1.00 0.00 H new ATOM 0 HA TRP A 363 13.630 35.454 12.411 1.00 0.00 H new ATOM 0 HB2 TRP A 363 14.550 34.098 10.457 1.00 0.00 H new ATOM 0 HB3 TRP A 363 14.082 32.653 11.332 1.00 0.00 H new ATOM 0 HD1 TRP A 363 12.537 35.646 9.441 1.00 0.00 H new ATOM 0 HE1 TRP A 363 10.076 35.134 8.863 1.00 0.00 H new ATOM 0 HE3 TRP A 363 11.976 31.326 12.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 363 8.203 33.174 9.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 363 9.777 30.219 12.130 1.00 0.00 H new ATOM 0 HH2 TRP A 363 7.925 31.119 10.793 1.00 0.00 H new ATOM 915 N TYR A 364 12.618 34.560 14.477 1.00 0.00 N ATOM 916 CA TYR A 364 11.724 34.098 15.539 1.00 0.00 C ATOM 917 C TYR A 364 10.289 34.456 15.112 1.00 0.00 C ATOM 918 O TYR A 364 10.007 35.628 14.844 1.00 0.00 O ATOM 919 CB TYR A 364 12.115 34.776 16.889 1.00 0.00 C ATOM 920 CG TYR A 364 13.598 34.569 17.284 1.00 0.00 C ATOM 921 CD1 TYR A 364 14.592 35.480 16.903 1.00 0.00 C ATOM 922 CD2 TYR A 364 14.008 33.445 18.007 1.00 0.00 C ATOM 923 CE1 TYR A 364 15.921 35.265 17.222 1.00 0.00 C ATOM 924 CE2 TYR A 364 15.334 33.235 18.330 1.00 0.00 C ATOM 925 CZ TYR A 364 16.284 34.143 17.935 1.00 0.00 C ATOM 926 OH TYR A 364 17.609 33.918 18.254 1.00 0.00 O ATOM 0 H TYR A 364 12.665 35.576 14.405 1.00 0.00 H new ATOM 0 HA TYR A 364 11.801 33.021 15.690 1.00 0.00 H new ATOM 0 HB2 TYR A 364 11.912 35.845 16.820 1.00 0.00 H new ATOM 0 HB3 TYR A 364 11.479 34.381 17.681 1.00 0.00 H new ATOM 0 HD1 TYR A 364 14.316 36.366 16.350 1.00 0.00 H new ATOM 0 HD2 TYR A 364 13.269 32.723 18.321 1.00 0.00 H new ATOM 0 HE1 TYR A 364 16.673 35.976 16.913 1.00 0.00 H new ATOM 0 HE2 TYR A 364 15.623 32.359 18.892 1.00 0.00 H new ATOM 0 HH TYR A 364 17.686 33.082 18.759 1.00 0.00 H new ATOM 936 N CYS A 365 9.403 33.436 15.018 1.00 0.00 N ATOM 937 CA CYS A 365 7.992 33.614 14.575 1.00 0.00 C ATOM 938 C CYS A 365 7.254 34.635 15.487 1.00 0.00 C ATOM 939 O CYS A 365 7.673 34.805 16.633 1.00 0.00 O ATOM 940 CB CYS A 365 7.237 32.256 14.582 1.00 0.00 C ATOM 941 SG CYS A 365 6.926 31.559 16.238 1.00 0.00 S ATOM 0 H CYS A 365 9.641 32.470 15.245 1.00 0.00 H new ATOM 0 HA CYS A 365 8.007 34.001 13.556 1.00 0.00 H new ATOM 0 HB2 CYS A 365 6.282 32.385 14.073 1.00 0.00 H new ATOM 0 HB3 CYS A 365 7.812 31.534 14.002 1.00 0.00 H new ATOM 946 N PRO A 366 6.187 35.352 14.966 1.00 0.00 N ATOM 947 CA PRO A 366 5.358 36.332 15.719 1.00 0.00 C ATOM 948 C PRO A 366 5.219 36.059 17.231 1.00 0.00 C ATOM 949 O PRO A 366 5.614 36.886 18.046 1.00 0.00 O ATOM 950 CB PRO A 366 4.002 36.215 14.997 1.00 0.00 C ATOM 951 CG PRO A 366 4.375 36.005 13.561 1.00 0.00 C ATOM 952 CD PRO A 366 5.728 35.306 13.550 1.00 0.00 C ATOM 0 HA PRO A 366 5.808 37.325 15.713 1.00 0.00 H new ATOM 0 HB2 PRO A 366 3.414 35.382 15.383 1.00 0.00 H new ATOM 0 HB3 PRO A 366 3.402 37.116 15.126 1.00 0.00 H new ATOM 0 HG2 PRO A 366 3.624 35.400 13.052 1.00 0.00 H new ATOM 0 HG3 PRO A 366 4.429 36.957 13.033 1.00 0.00 H new ATOM 0 HD2 PRO A 366 5.641 34.279 13.195 1.00 0.00 H new ATOM 0 HD3 PRO A 366 6.431 35.813 12.889 1.00 0.00 H new ATOM 960 N SER A 367 4.760 34.846 17.569 1.00 0.00 N ATOM 961 CA SER A 367 4.473 34.421 18.955 1.00 0.00 C ATOM 962 C SER A 367 5.719 34.528 19.877 1.00 0.00 C ATOM 963 O SER A 367 5.606 34.864 21.057 1.00 0.00 O ATOM 964 CB SER A 367 3.936 32.975 18.920 1.00 0.00 C ATOM 965 OG SER A 367 2.889 32.842 17.966 1.00 0.00 O ATOM 0 H SER A 367 4.573 34.118 16.880 1.00 0.00 H new ATOM 0 HA SER A 367 3.725 35.091 19.379 1.00 0.00 H new ATOM 0 HB2 SER A 367 4.746 32.288 18.674 1.00 0.00 H new ATOM 0 HB3 SER A 367 3.570 32.695 19.908 1.00 0.00 H new ATOM 0 HG SER A 367 2.566 31.917 17.961 1.00 0.00 H new ATOM 971 N CYS A 368 6.908 34.257 19.303 1.00 0.00 N ATOM 972 CA CYS A 368 8.205 34.337 20.014 1.00 0.00 C ATOM 973 C CYS A 368 8.625 35.785 20.338 1.00 0.00 C ATOM 974 O CYS A 368 9.289 36.023 21.351 1.00 0.00 O ATOM 975 CB CYS A 368 9.311 33.639 19.184 1.00 0.00 C ATOM 976 SG CYS A 368 9.269 31.835 19.279 1.00 0.00 S ATOM 0 H CYS A 368 6.999 33.974 18.327 1.00 0.00 H new ATOM 0 HA CYS A 368 8.074 33.824 20.967 1.00 0.00 H new ATOM 0 HB2 CYS A 368 9.214 33.941 18.141 1.00 0.00 H new ATOM 0 HB3 CYS A 368 10.285 33.989 19.527 1.00 0.00 H new ATOM 981 N ARG A 369 8.257 36.749 19.475 1.00 0.00 N ATOM 982 CA ARG A 369 8.693 38.157 19.637 1.00 0.00 C ATOM 983 C ARG A 369 7.651 39.018 20.385 1.00 0.00 C ATOM 984 O ARG A 369 7.969 40.117 20.844 1.00 0.00 O ATOM 985 CB ARG A 369 9.099 38.768 18.255 1.00 0.00 C ATOM 986 CG ARG A 369 8.037 38.712 17.123 1.00 0.00 C ATOM 987 CD ARG A 369 6.940 39.800 17.220 1.00 0.00 C ATOM 988 NE ARG A 369 5.972 39.722 16.111 1.00 0.00 N ATOM 989 CZ ARG A 369 6.151 40.245 14.885 1.00 0.00 C ATOM 990 NH1 ARG A 369 7.260 40.914 14.574 1.00 0.00 N ATOM 991 NH2 ARG A 369 5.205 40.104 13.970 1.00 0.00 N ATOM 0 H ARG A 369 7.663 36.585 18.662 1.00 0.00 H new ATOM 0 HA ARG A 369 9.579 38.159 20.272 1.00 0.00 H new ATOM 0 HB2 ARG A 369 9.372 39.811 18.412 1.00 0.00 H new ATOM 0 HB3 ARG A 369 9.994 38.253 17.906 1.00 0.00 H new ATOM 0 HG2 ARG A 369 8.543 38.808 16.162 1.00 0.00 H new ATOM 0 HG3 ARG A 369 7.561 37.731 17.136 1.00 0.00 H new ATOM 0 HD2 ARG A 369 6.412 39.696 18.168 1.00 0.00 H new ATOM 0 HD3 ARG A 369 7.408 40.785 17.222 1.00 0.00 H new ATOM 0 HE ARG A 369 5.095 39.232 16.288 1.00 0.00 H new ATOM 0 HH11 ARG A 369 7.994 41.038 15.272 1.00 0.00 H new ATOM 0 HH12 ARG A 369 7.376 41.303 13.638 1.00 0.00 H new ATOM 0 HH21 ARG A 369 4.347 39.601 14.197 1.00 0.00 H new ATOM 0 HH22 ARG A 369 5.334 40.498 13.038 1.00 0.00 H new ATOM 1005 N THR A 370 6.406 38.521 20.505 1.00 0.00 N ATOM 1006 CA THR A 370 5.314 39.242 21.196 1.00 0.00 C ATOM 1007 C THR A 370 4.919 38.506 22.489 1.00 0.00 C ATOM 1008 O THR A 370 5.381 37.389 22.747 1.00 0.00 O ATOM 1009 CB THR A 370 4.063 39.416 20.254 1.00 0.00 C ATOM 1010 OG1 THR A 370 3.055 40.218 20.889 1.00 0.00 O ATOM 1011 CG2 THR A 370 3.425 38.080 19.849 1.00 0.00 C ATOM 0 H THR A 370 6.127 37.615 20.129 1.00 0.00 H new ATOM 0 HA THR A 370 5.677 40.236 21.457 1.00 0.00 H new ATOM 0 HB THR A 370 4.438 39.905 19.355 1.00 0.00 H new ATOM 0 HG1 THR A 370 2.288 40.316 20.287 1.00 0.00 H new ATOM 0 HG21 THR A 370 2.569 38.267 19.201 1.00 0.00 H new ATOM 0 HG22 THR A 370 4.158 37.474 19.316 1.00 0.00 H new ATOM 0 HG23 THR A 370 3.095 37.549 20.742 1.00 0.00 H new ATOM 1019 N ASP A 371 4.062 39.157 23.303 1.00 0.00 N ATOM 1020 CA ASP A 371 3.438 38.543 24.502 1.00 0.00 C ATOM 1021 C ASP A 371 2.487 37.395 24.096 1.00 0.00 C ATOM 1022 O ASP A 371 2.160 36.534 24.916 1.00 0.00 O ATOM 1023 CB ASP A 371 2.667 39.605 25.329 1.00 0.00 C ATOM 1024 CG ASP A 371 3.576 40.720 25.877 1.00 0.00 C ATOM 1025 OD1 ASP A 371 3.815 41.720 25.156 1.00 0.00 O ATOM 1026 OD2 ASP A 371 4.065 40.602 27.023 1.00 0.00 O ATOM 0 H ASP A 371 3.780 40.125 23.150 1.00 0.00 H new ATOM 0 HA ASP A 371 4.236 38.134 25.121 1.00 0.00 H new ATOM 0 HB2 ASP A 371 1.892 40.050 24.705 1.00 0.00 H new ATOM 0 HB3 ASP A 371 2.163 39.113 26.161 1.00 0.00 H new ATOM 1031 N SER A 372 2.023 37.450 22.823 1.00 0.00 N ATOM 1032 CA SER A 372 1.185 36.420 22.167 1.00 0.00 C ATOM 1033 C SER A 372 -0.247 36.414 22.735 1.00 0.00 C ATOM 1034 O SER A 372 -1.055 35.540 22.384 1.00 0.00 O ATOM 1035 CB SER A 372 1.865 35.015 22.240 1.00 0.00 C ATOM 1036 OG SER A 372 1.220 34.060 21.409 1.00 0.00 O ATOM 0 H SER A 372 2.229 38.237 22.207 1.00 0.00 H new ATOM 0 HA SER A 372 1.097 36.675 21.111 1.00 0.00 H new ATOM 0 HB2 SER A 372 2.910 35.104 21.944 1.00 0.00 H new ATOM 0 HB3 SER A 372 1.855 34.662 23.271 1.00 0.00 H new ATOM 0 HG SER A 372 0.250 34.195 21.448 1.00 0.00 H new ATOM 1042 N SER A 373 -0.558 37.442 23.567 1.00 0.00 N ATOM 1043 CA SER A 373 -1.828 37.548 24.313 1.00 0.00 C ATOM 1044 C SER A 373 -2.057 36.285 25.172 1.00 0.00 C ATOM 1045 O SER A 373 -3.156 35.713 25.196 1.00 0.00 O ATOM 1046 CB SER A 373 -3.013 37.825 23.347 1.00 0.00 C ATOM 1047 OG SER A 373 -2.788 39.000 22.582 1.00 0.00 O ATOM 0 H SER A 373 0.075 38.224 23.736 1.00 0.00 H new ATOM 0 HA SER A 373 -1.767 38.397 24.994 1.00 0.00 H new ATOM 0 HB2 SER A 373 -3.148 36.974 22.680 1.00 0.00 H new ATOM 0 HB3 SER A 373 -3.935 37.931 23.919 1.00 0.00 H new ATOM 0 HG SER A 373 -3.548 39.150 21.982 1.00 0.00 H new ATOM 1053 N GLU A 374 -0.978 35.865 25.877 1.00 0.00 N ATOM 1054 CA GLU A 374 -0.984 34.682 26.761 1.00 0.00 C ATOM 1055 C GLU A 374 -1.890 34.913 27.982 1.00 0.00 C ATOM 1056 O GLU A 374 -2.222 36.059 28.303 1.00 0.00 O ATOM 1057 CB GLU A 374 0.480 34.304 27.171 1.00 0.00 C ATOM 1058 CG GLU A 374 1.355 35.426 27.821 1.00 0.00 C ATOM 1059 CD GLU A 374 1.003 35.792 29.280 1.00 0.00 C ATOM 1060 OE1 GLU A 374 0.490 36.905 29.525 1.00 0.00 O ATOM 1061 OE2 GLU A 374 1.230 34.957 30.184 1.00 0.00 O ATOM 0 H GLU A 374 -0.077 36.342 25.846 1.00 0.00 H new ATOM 0 HA GLU A 374 -1.401 33.835 26.216 1.00 0.00 H new ATOM 0 HB2 GLU A 374 0.430 33.468 27.869 1.00 0.00 H new ATOM 0 HB3 GLU A 374 0.998 33.945 26.281 1.00 0.00 H new ATOM 0 HG2 GLU A 374 2.398 35.113 27.786 1.00 0.00 H new ATOM 0 HG3 GLU A 374 1.272 36.325 27.210 1.00 0.00 H new ATOM 1068 N VAL A 375 -2.299 33.820 28.643 1.00 0.00 N ATOM 1069 CA VAL A 375 -3.140 33.896 29.840 1.00 0.00 C ATOM 1070 C VAL A 375 -2.330 34.493 31.019 1.00 0.00 C ATOM 1071 O VAL A 375 -1.454 33.834 31.593 1.00 0.00 O ATOM 1072 CB VAL A 375 -3.781 32.496 30.208 1.00 0.00 C ATOM 1073 CG1 VAL A 375 -2.719 31.367 30.335 1.00 0.00 C ATOM 1074 CG2 VAL A 375 -4.656 32.606 31.488 1.00 0.00 C ATOM 0 H VAL A 375 -2.058 32.869 28.364 1.00 0.00 H new ATOM 0 HA VAL A 375 -3.976 34.562 29.627 1.00 0.00 H new ATOM 0 HB VAL A 375 -4.429 32.213 29.378 1.00 0.00 H new ATOM 0 HG11 VAL A 375 -3.213 30.429 30.589 1.00 0.00 H new ATOM 0 HG12 VAL A 375 -2.192 31.255 29.387 1.00 0.00 H new ATOM 0 HG13 VAL A 375 -2.006 31.625 31.118 1.00 0.00 H new ATOM 0 HG21 VAL A 375 -5.085 31.631 31.720 1.00 0.00 H new ATOM 0 HG22 VAL A 375 -4.039 32.939 32.323 1.00 0.00 H new ATOM 0 HG23 VAL A 375 -5.458 33.325 31.320 1.00 0.00 H new ATOM 1084 N VAL A 376 -2.598 35.782 31.319 1.00 0.00 N ATOM 1085 CA VAL A 376 -1.975 36.496 32.449 1.00 0.00 C ATOM 1086 C VAL A 376 -2.396 35.848 33.781 1.00 0.00 C ATOM 1087 O VAL A 376 -3.488 35.269 33.875 1.00 0.00 O ATOM 1088 CB VAL A 376 -2.329 38.041 32.445 1.00 0.00 C ATOM 1089 CG1 VAL A 376 -1.823 38.727 31.150 1.00 0.00 C ATOM 1090 CG2 VAL A 376 -3.849 38.286 32.642 1.00 0.00 C ATOM 0 H VAL A 376 -3.252 36.354 30.784 1.00 0.00 H new ATOM 0 HA VAL A 376 -0.894 36.414 32.336 1.00 0.00 H new ATOM 0 HB VAL A 376 -1.813 38.491 33.293 1.00 0.00 H new ATOM 0 HG11 VAL A 376 -2.080 39.786 31.175 1.00 0.00 H new ATOM 0 HG12 VAL A 376 -0.741 38.618 31.079 1.00 0.00 H new ATOM 0 HG13 VAL A 376 -2.292 38.260 30.284 1.00 0.00 H new ATOM 0 HG21 VAL A 376 -4.049 39.357 32.633 1.00 0.00 H new ATOM 0 HG22 VAL A 376 -4.402 37.807 31.834 1.00 0.00 H new ATOM 0 HG23 VAL A 376 -4.164 37.866 33.597 1.00 0.00 H new ATOM 1100 N GLN A 377 -1.515 35.915 34.789 1.00 0.00 N ATOM 1101 CA GLN A 377 -1.803 35.362 36.127 1.00 0.00 C ATOM 1102 C GLN A 377 -2.946 36.161 36.795 1.00 0.00 C ATOM 1103 O GLN A 377 -3.094 37.368 36.548 1.00 0.00 O ATOM 1104 CB GLN A 377 -0.524 35.348 37.033 1.00 0.00 C ATOM 1105 CG GLN A 377 -0.022 36.718 37.561 1.00 0.00 C ATOM 1106 CD GLN A 377 0.458 37.688 36.474 1.00 0.00 C ATOM 1107 OE1 GLN A 377 1.621 37.676 36.083 1.00 0.00 O ATOM 1108 NE2 GLN A 377 -0.438 38.529 35.979 1.00 0.00 N ATOM 0 H GLN A 377 -0.595 36.347 34.706 1.00 0.00 H new ATOM 0 HA GLN A 377 -2.122 34.327 36.005 1.00 0.00 H new ATOM 0 HB2 GLN A 377 -0.723 34.706 37.891 1.00 0.00 H new ATOM 0 HB3 GLN A 377 0.286 34.884 36.470 1.00 0.00 H new ATOM 0 HG2 GLN A 377 -0.827 37.193 38.122 1.00 0.00 H new ATOM 0 HG3 GLN A 377 0.796 36.545 38.261 1.00 0.00 H new ATOM 0 HE21 GLN A 377 -1.397 38.514 36.325 1.00 0.00 H new ATOM 0 HE22 GLN A 377 -0.169 39.191 35.252 1.00 0.00 H new ATOM 1117 N ALA A 378 -3.763 35.481 37.614 1.00 0.00 N ATOM 1118 CA ALA A 378 -4.849 36.130 38.382 1.00 0.00 C ATOM 1119 C ALA A 378 -4.269 36.961 39.546 1.00 0.00 C ATOM 1120 O ALA A 378 -3.055 36.956 39.778 1.00 0.00 O ATOM 1121 CB ALA A 378 -5.852 35.071 38.883 1.00 0.00 C ATOM 0 H ALA A 378 -3.695 34.475 37.765 1.00 0.00 H new ATOM 0 HA ALA A 378 -5.386 36.816 37.727 1.00 0.00 H new ATOM 0 HB1 ALA A 378 -6.646 35.560 39.447 1.00 0.00 H new ATOM 0 HB2 ALA A 378 -6.282 34.546 38.031 1.00 0.00 H new ATOM 0 HB3 ALA A 378 -5.337 34.358 39.526 1.00 0.00 H new ATOM 1127 N GLY A 379 -5.136 37.696 40.251 1.00 0.00 N ATOM 1128 CA GLY A 379 -4.721 38.516 41.397 1.00 0.00 C ATOM 1129 C GLY A 379 -4.720 40.002 41.064 1.00 0.00 C ATOM 1130 O GLY A 379 -3.702 40.691 41.222 1.00 0.00 O ATOM 0 H GLY A 379 -6.134 37.740 40.047 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -5.392 38.333 42.236 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -3.723 38.215 41.716 1.00 0.00 H new ATOM 1134 N GLU A 380 -5.875 40.476 40.566 1.00 0.00 N ATOM 1135 CA GLU A 380 -6.121 41.895 40.230 1.00 0.00 C ATOM 1136 C GLU A 380 -6.144 42.776 41.520 1.00 0.00 C ATOM 1137 CB GLU A 380 -7.440 42.002 39.391 1.00 0.00 C ATOM 1138 CG GLU A 380 -8.654 41.246 39.980 1.00 0.00 C ATOM 1139 CD GLU A 380 -9.846 41.142 39.016 1.00 0.00 C ATOM 1140 OE1 GLU A 380 -10.886 41.794 39.252 1.00 0.00 O ATOM 1141 OE2 GLU A 380 -9.740 40.395 38.017 1.00 0.00 O ATOM 0 H GLU A 380 -6.679 39.876 40.381 1.00 0.00 H new ATOM 0 HA GLU A 380 -5.306 42.282 39.619 1.00 0.00 H new ATOM 0 HB2 GLU A 380 -7.702 43.055 39.288 1.00 0.00 H new ATOM 0 HB3 GLU A 380 -7.246 41.622 38.388 1.00 0.00 H new ATOM 0 HG2 GLU A 380 -8.341 40.242 40.266 1.00 0.00 H new ATOM 0 HG3 GLU A 380 -8.978 41.750 40.890 1.00 0.00 H new TER 1148 GLU A 380 HETATM 1149 ZN ZN A 401 8.008 14.447 9.927 1.00 0.00 ZN HETATM 1150 ZN ZN A 402 1.139 27.164 6.440 1.00 0.00 ZN HETATM 1151 ZN ZN A 403 8.789 30.577 17.295 1.00 0.00 ZN