USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 392 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 334 HIS HD1 : A 334 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD NoAdj-H: A 367 HIS HD1 : A 367 HIS ND1 : A 2 ZNZN :(H bumps) USER MOD Set 1.1: A 369 LYS NZ :NH3+ 153:sc= -0.064 (180deg=-0.681) USER MOD Set 1.2: A 371 THR OG1 : rot 120:sc= 0.201 USER MOD Set 2.1: A 331 SER OG : rot 180:sc= 0.199 USER MOD Set 2.2: A 333 THR OG1 : rot 90:sc= 0.205 USER MOD Single : A 337 SER OG : rot 23:sc= 0.184 USER MOD Single : A 338 THR OG1 : rot 180:sc= 0 USER MOD Single : A 339 LYS NZ :NH3+ 163:sc=-0.000314 (180deg=-0.182) USER MOD Single : A 340 SER OG : rot 180:sc= 0 USER MOD Single : A 343 SER OG : rot 180:sc= 0 USER MOD Single : A 344 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 347 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 350 GLN :FLIP amide:sc= -0.203 F(o=-1,f=-0.2) USER MOD Single : A 351 LYS NZ :NH3+ -164:sc=-0.00169 (180deg=-0.0931) USER MOD Single : A 352 SER OG : rot 180:sc= 0 USER MOD Single : A 353 MET CE :methyl 156:sc= -5.21! (180deg=-7.56!) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 360 LYS NZ :NH3+ -145:sc= -0.271 (180deg=-1.52!) USER MOD Single : A 361 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.1) USER MOD Single : A 365 LYS NZ :NH3+ 167:sc= -0.353 (180deg=-0.547) USER MOD Single : A 366 CYS SG : rot 109:sc= -2.82 USER MOD Single : A 368 ASN : amide:sc= -1.16 K(o=-1.2,f=-5.4!) USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 330 83.972 -10.550 -19.794 1.00 0.00 N ATOM 2 CA GLY A 330 84.742 -9.481 -19.100 1.00 0.00 C ATOM 3 C GLY A 330 83.851 -8.375 -18.571 1.00 0.00 C ATOM 4 O GLY A 330 83.640 -7.364 -19.242 1.00 0.00 O ATOM 0 HA2 GLY A 330 85.302 -9.919 -18.274 1.00 0.00 H new ATOM 0 HA3 GLY A 330 85.472 -9.057 -19.790 1.00 0.00 H new ATOM 10 N SER A 331 83.326 -8.565 -17.365 1.00 0.00 N ATOM 11 CA SER A 331 82.452 -7.575 -16.747 1.00 0.00 C ATOM 12 C SER A 331 83.190 -6.802 -15.659 1.00 0.00 C ATOM 13 O SER A 331 83.603 -7.372 -14.649 1.00 0.00 O ATOM 14 CB SER A 331 81.215 -8.255 -16.156 1.00 0.00 C ATOM 15 OG SER A 331 80.327 -7.302 -15.597 1.00 0.00 O ATOM 0 H SER A 331 83.491 -9.396 -16.796 1.00 0.00 H new ATOM 0 HA SER A 331 82.138 -6.871 -17.518 1.00 0.00 H new ATOM 0 HB2 SER A 331 80.702 -8.823 -16.933 1.00 0.00 H new ATOM 0 HB3 SER A 331 81.519 -8.967 -15.389 1.00 0.00 H new ATOM 0 HG SER A 331 79.544 -7.762 -15.228 1.00 0.00 H new ATOM 21 N VAL A 332 83.351 -5.500 -15.871 1.00 0.00 N ATOM 22 CA VAL A 332 84.038 -4.648 -14.909 1.00 0.00 C ATOM 23 C VAL A 332 83.042 -3.922 -14.009 1.00 0.00 C ATOM 24 O VAL A 332 83.235 -2.757 -13.662 1.00 0.00 O ATOM 25 CB VAL A 332 84.930 -3.607 -15.614 1.00 0.00 C ATOM 26 CG1 VAL A 332 85.822 -2.896 -14.607 1.00 0.00 C ATOM 27 CG2 VAL A 332 85.763 -4.267 -16.702 1.00 0.00 C ATOM 0 H VAL A 332 83.015 -5.012 -16.701 1.00 0.00 H new ATOM 0 HA VAL A 332 84.666 -5.300 -14.301 1.00 0.00 H new ATOM 0 HB VAL A 332 84.286 -2.863 -16.082 1.00 0.00 H new ATOM 0 HG11 VAL A 332 86.444 -2.165 -15.124 1.00 0.00 H new ATOM 0 HG12 VAL A 332 85.203 -2.387 -13.868 1.00 0.00 H new ATOM 0 HG13 VAL A 332 86.459 -3.625 -14.107 1.00 0.00 H new ATOM 0 HG21 VAL A 332 86.386 -3.517 -17.189 1.00 0.00 H new ATOM 0 HG22 VAL A 332 86.398 -5.034 -16.259 1.00 0.00 H new ATOM 0 HG23 VAL A 332 85.103 -4.724 -17.439 1.00 0.00 H new ATOM 37 N THR A 333 81.975 -4.621 -13.634 1.00 0.00 N ATOM 38 CA THR A 333 80.948 -4.044 -12.775 1.00 0.00 C ATOM 39 C THR A 333 81.173 -4.437 -11.318 1.00 0.00 C ATOM 40 O THR A 333 81.843 -5.428 -11.029 1.00 0.00 O ATOM 41 CB THR A 333 79.560 -4.498 -13.229 1.00 0.00 C ATOM 42 OG1 THR A 333 79.456 -4.457 -14.641 1.00 0.00 O ATOM 43 CG2 THR A 333 78.439 -3.654 -12.662 1.00 0.00 C ATOM 0 H THR A 333 81.800 -5.587 -13.911 1.00 0.00 H new ATOM 0 HA THR A 333 81.012 -2.959 -12.854 1.00 0.00 H new ATOM 0 HB THR A 333 79.452 -5.516 -12.854 1.00 0.00 H new ATOM 0 HG1 THR A 333 79.733 -5.319 -15.015 1.00 0.00 H new ATOM 0 HG21 THR A 333 77.482 -4.030 -13.024 1.00 0.00 H new ATOM 0 HG22 THR A 333 78.461 -3.704 -11.573 1.00 0.00 H new ATOM 0 HG23 THR A 333 78.566 -2.619 -12.980 1.00 0.00 H new ATOM 51 N HIS A 334 80.608 -3.654 -10.405 1.00 0.00 N ATOM 52 CA HIS A 334 80.745 -3.920 -8.978 1.00 0.00 C ATOM 53 C HIS A 334 79.421 -4.393 -8.388 1.00 0.00 C ATOM 54 O HIS A 334 78.416 -3.685 -8.450 1.00 0.00 O ATOM 55 CB HIS A 334 81.225 -2.665 -8.240 1.00 0.00 C ATOM 56 CG HIS A 334 82.297 -1.908 -8.963 1.00 0.00 C ATOM 57 ND1 HIS A 334 83.487 -1.588 -8.353 1.00 0.00 N ATOM 58 CD2 HIS A 334 82.308 -1.431 -10.232 1.00 0.00 C ATOM 59 CE1 HIS A 334 84.190 -0.929 -9.258 1.00 0.00 C ATOM 60 NE2 HIS A 334 83.517 -0.810 -10.412 1.00 0.00 N ATOM 0 H HIS A 334 80.051 -2.830 -10.628 1.00 0.00 H new ATOM 0 HA HIS A 334 81.486 -4.709 -8.852 1.00 0.00 H new ATOM 0 HB2 HIS A 334 80.374 -2.004 -8.077 1.00 0.00 H new ATOM 0 HB3 HIS A 334 81.598 -2.954 -7.257 1.00 0.00 H new ATOM 0 HD2 HIS A 334 81.516 -1.523 -10.961 1.00 0.00 H new ATOM 0 HE1 HIS A 334 85.182 -0.536 -9.089 1.00 0.00 H new ATOM 0 HE2 HIS A 334 83.842 -0.347 -11.260 1.00 0.00 H new ATOM 68 N ARG A 335 79.426 -5.591 -7.813 1.00 0.00 N ATOM 69 CA ARG A 335 78.223 -6.152 -7.210 1.00 0.00 C ATOM 70 C ARG A 335 78.179 -5.850 -5.717 1.00 0.00 C ATOM 71 O ARG A 335 79.039 -6.297 -4.958 1.00 0.00 O ATOM 72 CB ARG A 335 78.166 -7.663 -7.440 1.00 0.00 C ATOM 73 CG ARG A 335 78.530 -8.078 -8.856 1.00 0.00 C ATOM 74 CD ARG A 335 79.985 -8.506 -8.955 1.00 0.00 C ATOM 75 NE ARG A 335 80.205 -9.452 -10.047 1.00 0.00 N ATOM 76 CZ ARG A 335 79.864 -10.737 -9.995 1.00 0.00 C ATOM 77 NH1 ARG A 335 79.288 -11.234 -8.907 1.00 0.00 N ATOM 78 NH2 ARG A 335 80.099 -11.528 -11.032 1.00 0.00 N ATOM 0 H ARG A 335 80.248 -6.191 -7.752 1.00 0.00 H new ATOM 0 HA ARG A 335 77.357 -5.690 -7.684 1.00 0.00 H new ATOM 0 HB2 ARG A 335 78.843 -8.154 -6.741 1.00 0.00 H new ATOM 0 HB3 ARG A 335 77.161 -8.019 -7.213 1.00 0.00 H new ATOM 0 HG2 ARG A 335 77.886 -8.899 -9.173 1.00 0.00 H new ATOM 0 HG3 ARG A 335 78.347 -7.248 -9.538 1.00 0.00 H new ATOM 0 HD2 ARG A 335 80.612 -7.627 -9.105 1.00 0.00 H new ATOM 0 HD3 ARG A 335 80.294 -8.961 -8.014 1.00 0.00 H new ATOM 0 HE ARG A 335 80.646 -9.107 -10.899 1.00 0.00 H new ATOM 0 HH11 ARG A 335 79.105 -10.630 -8.106 1.00 0.00 H new ATOM 0 HH12 ARG A 335 79.029 -12.220 -8.872 1.00 0.00 H new ATOM 0 HH21 ARG A 335 80.541 -11.152 -11.870 1.00 0.00 H new ATOM 0 HH22 ARG A 335 79.837 -12.513 -10.992 1.00 0.00 H new ATOM 92 N PHE A 336 77.179 -5.081 -5.303 1.00 0.00 N ATOM 93 CA PHE A 336 77.019 -4.705 -3.923 1.00 0.00 C ATOM 94 C PHE A 336 76.101 -5.678 -3.187 1.00 0.00 C ATOM 95 O PHE A 336 75.188 -6.254 -3.778 1.00 0.00 O ATOM 96 CB PHE A 336 76.431 -3.304 -3.882 1.00 0.00 C ATOM 97 CG PHE A 336 77.415 -2.231 -3.522 1.00 0.00 C ATOM 98 CD1 PHE A 336 78.204 -2.346 -2.391 1.00 0.00 C ATOM 99 CD2 PHE A 336 77.549 -1.105 -4.318 1.00 0.00 C ATOM 100 CE1 PHE A 336 79.109 -1.357 -2.058 1.00 0.00 C ATOM 101 CE2 PHE A 336 78.452 -0.112 -3.991 1.00 0.00 C ATOM 102 CZ PHE A 336 79.233 -0.238 -2.860 1.00 0.00 C ATOM 0 H PHE A 336 76.461 -4.706 -5.923 1.00 0.00 H new ATOM 0 HA PHE A 336 77.989 -4.731 -3.426 1.00 0.00 H new ATOM 0 HB2 PHE A 336 76.002 -3.074 -4.857 1.00 0.00 H new ATOM 0 HB3 PHE A 336 75.613 -3.287 -3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 336 78.111 -3.219 -1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 336 76.941 -1.002 -5.204 1.00 0.00 H new ATOM 0 HE1 PHE A 336 79.719 -1.458 -1.172 1.00 0.00 H new ATOM 0 HE2 PHE A 336 78.547 0.761 -4.619 1.00 0.00 H new ATOM 0 HZ PHE A 336 79.940 0.537 -2.602 1.00 0.00 H new ATOM 112 N SER A 337 76.344 -5.848 -1.893 1.00 0.00 N ATOM 113 CA SER A 337 75.527 -6.746 -1.074 1.00 0.00 C ATOM 114 C SER A 337 75.080 -6.061 0.217 1.00 0.00 C ATOM 115 O SER A 337 75.894 -5.493 0.940 1.00 0.00 O ATOM 116 CB SER A 337 76.309 -8.019 -0.744 1.00 0.00 C ATOM 117 OG SER A 337 77.429 -7.733 0.076 1.00 0.00 O ATOM 0 H SER A 337 77.096 -5.380 -1.387 1.00 0.00 H new ATOM 0 HA SER A 337 74.638 -7.009 -1.648 1.00 0.00 H new ATOM 0 HB2 SER A 337 75.656 -8.729 -0.237 1.00 0.00 H new ATOM 0 HB3 SER A 337 76.642 -8.494 -1.667 1.00 0.00 H new ATOM 0 HG SER A 337 77.282 -6.886 0.546 1.00 0.00 H new ATOM 123 N THR A 338 73.781 -6.118 0.509 1.00 0.00 N ATOM 124 CA THR A 338 73.250 -5.493 1.719 1.00 0.00 C ATOM 125 C THR A 338 73.403 -6.405 2.930 1.00 0.00 C ATOM 126 O THR A 338 73.196 -7.615 2.848 1.00 0.00 O ATOM 127 CB THR A 338 71.776 -5.118 1.545 1.00 0.00 C ATOM 128 OG1 THR A 338 71.608 -4.238 0.447 1.00 0.00 O ATOM 129 CG2 THR A 338 71.181 -4.445 2.771 1.00 0.00 C ATOM 0 H THR A 338 73.083 -6.586 -0.070 1.00 0.00 H new ATOM 0 HA THR A 338 73.830 -4.586 1.889 1.00 0.00 H new ATOM 0 HB THR A 338 71.255 -6.061 1.378 1.00 0.00 H new ATOM 0 HG1 THR A 338 70.659 -4.012 0.351 1.00 0.00 H new ATOM 0 HG21 THR A 338 70.135 -4.205 2.582 1.00 0.00 H new ATOM 0 HG22 THR A 338 71.251 -5.118 3.625 1.00 0.00 H new ATOM 0 HG23 THR A 338 71.731 -3.528 2.986 1.00 0.00 H new ATOM 137 N LYS A 339 73.762 -5.801 4.055 1.00 0.00 N ATOM 138 CA LYS A 339 73.945 -6.526 5.301 1.00 0.00 C ATOM 139 C LYS A 339 73.606 -5.630 6.486 1.00 0.00 C ATOM 140 O LYS A 339 73.858 -4.421 6.456 1.00 0.00 O ATOM 141 CB LYS A 339 75.385 -7.030 5.419 1.00 0.00 C ATOM 142 CG LYS A 339 75.504 -8.372 6.124 1.00 0.00 C ATOM 143 CD LYS A 339 75.578 -8.204 7.632 1.00 0.00 C ATOM 144 CE LYS A 339 74.849 -9.326 8.354 1.00 0.00 C ATOM 145 NZ LYS A 339 75.269 -10.668 7.864 1.00 0.00 N ATOM 0 H LYS A 339 73.934 -4.798 4.128 1.00 0.00 H new ATOM 0 HA LYS A 339 73.273 -7.385 5.304 1.00 0.00 H new ATOM 0 HB2 LYS A 339 75.815 -7.114 4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 339 75.977 -6.291 5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 339 74.648 -8.996 5.868 1.00 0.00 H new ATOM 0 HG3 LYS A 339 76.394 -8.892 5.771 1.00 0.00 H new ATOM 0 HD2 LYS A 339 76.622 -8.185 7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 339 75.143 -7.245 7.914 1.00 0.00 H new ATOM 0 HE2 LYS A 339 75.042 -9.254 9.424 1.00 0.00 H new ATOM 0 HE3 LYS A 339 73.774 -9.209 8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 74.983 -11.394 8.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 74.815 -10.861 6.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 76.302 -10.688 7.749 1.00 0.00 H new ATOM 159 N SER A 340 73.030 -6.227 7.523 1.00 0.00 N ATOM 160 CA SER A 340 72.650 -5.489 8.721 1.00 0.00 C ATOM 161 C SER A 340 72.722 -6.387 9.952 1.00 0.00 C ATOM 162 O SER A 340 71.964 -7.349 10.067 1.00 0.00 O ATOM 163 CB SER A 340 71.237 -4.925 8.568 1.00 0.00 C ATOM 164 OG SER A 340 70.457 -5.732 7.702 1.00 0.00 O ATOM 0 H SER A 340 72.815 -7.224 7.558 1.00 0.00 H new ATOM 0 HA SER A 340 73.350 -4.664 8.852 1.00 0.00 H new ATOM 0 HB2 SER A 340 70.758 -4.866 9.545 1.00 0.00 H new ATOM 0 HB3 SER A 340 71.288 -3.909 8.176 1.00 0.00 H new ATOM 0 HG SER A 340 69.558 -5.351 7.622 1.00 0.00 H new ATOM 170 N TRP A 341 73.641 -6.063 10.865 1.00 0.00 N ATOM 171 CA TRP A 341 73.833 -6.831 12.102 1.00 0.00 C ATOM 172 C TRP A 341 75.229 -6.596 12.675 1.00 0.00 C ATOM 173 O TRP A 341 75.445 -6.733 13.879 1.00 0.00 O ATOM 174 CB TRP A 341 73.621 -8.331 11.865 1.00 0.00 C ATOM 175 CG TRP A 341 72.289 -8.841 12.337 1.00 0.00 C ATOM 176 CD1 TRP A 341 71.986 -10.131 12.665 1.00 0.00 C ATOM 177 CD2 TRP A 341 71.083 -8.084 12.538 1.00 0.00 C ATOM 178 NE1 TRP A 341 70.673 -10.226 13.056 1.00 0.00 N ATOM 179 CE2 TRP A 341 70.097 -8.985 12.987 1.00 0.00 C ATOM 180 CE3 TRP A 341 70.737 -6.735 12.384 1.00 0.00 C ATOM 181 CZ2 TRP A 341 68.797 -8.583 13.282 1.00 0.00 C ATOM 182 CZ3 TRP A 341 69.446 -6.340 12.678 1.00 0.00 C ATOM 183 CH2 TRP A 341 68.490 -7.260 13.122 1.00 0.00 C ATOM 0 H TRP A 341 74.271 -5.266 10.771 1.00 0.00 H new ATOM 0 HA TRP A 341 73.089 -6.483 12.819 1.00 0.00 H new ATOM 0 HB2 TRP A 341 73.721 -8.538 10.800 1.00 0.00 H new ATOM 0 HB3 TRP A 341 74.411 -8.884 12.373 1.00 0.00 H new ATOM 0 HD1 TRP A 341 72.679 -10.958 12.623 1.00 0.00 H new ATOM 0 HE1 TRP A 341 70.203 -11.082 13.350 1.00 0.00 H new ATOM 0 HE3 TRP A 341 71.467 -6.016 12.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 341 68.057 -9.291 13.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 341 69.170 -5.302 12.563 1.00 0.00 H new ATOM 0 HH2 TRP A 341 67.489 -6.918 13.343 1.00 0.00 H new ATOM 194 N LEU A 342 76.175 -6.245 11.807 1.00 0.00 N ATOM 195 CA LEU A 342 77.550 -5.993 12.230 1.00 0.00 C ATOM 196 C LEU A 342 77.604 -4.994 13.384 1.00 0.00 C ATOM 197 O LEU A 342 78.572 -4.965 14.145 1.00 0.00 O ATOM 198 CB LEU A 342 78.384 -5.480 11.052 1.00 0.00 C ATOM 199 CG LEU A 342 77.845 -4.218 10.373 1.00 0.00 C ATOM 200 CD1 LEU A 342 78.992 -3.346 9.886 1.00 0.00 C ATOM 201 CD2 LEU A 342 76.922 -4.584 9.218 1.00 0.00 C ATOM 0 H LEU A 342 76.014 -6.129 10.806 1.00 0.00 H new ATOM 0 HA LEU A 342 77.968 -6.937 12.580 1.00 0.00 H new ATOM 0 HB2 LEU A 342 79.396 -5.280 11.404 1.00 0.00 H new ATOM 0 HB3 LEU A 342 78.456 -6.272 10.306 1.00 0.00 H new ATOM 0 HG LEU A 342 77.269 -3.652 11.105 1.00 0.00 H new ATOM 0 HD11 LEU A 342 78.592 -2.453 9.406 1.00 0.00 H new ATOM 0 HD12 LEU A 342 79.613 -3.055 10.733 1.00 0.00 H new ATOM 0 HD13 LEU A 342 79.595 -3.904 9.169 1.00 0.00 H new ATOM 0 HD21 LEU A 342 76.549 -3.674 8.748 1.00 0.00 H new ATOM 0 HD22 LEU A 342 77.473 -5.172 8.484 1.00 0.00 H new ATOM 0 HD23 LEU A 342 76.082 -5.168 9.594 1.00 0.00 H new ATOM 213 N SER A 343 76.561 -4.177 13.512 1.00 0.00 N ATOM 214 CA SER A 343 76.490 -3.179 14.577 1.00 0.00 C ATOM 215 C SER A 343 77.465 -2.034 14.317 1.00 0.00 C ATOM 216 O SER A 343 78.316 -1.726 15.152 1.00 0.00 O ATOM 217 CB SER A 343 76.785 -3.821 15.936 1.00 0.00 C ATOM 218 OG SER A 343 76.010 -3.223 16.961 1.00 0.00 O ATOM 0 H SER A 343 75.752 -4.186 12.891 1.00 0.00 H new ATOM 0 HA SER A 343 75.478 -2.774 14.591 1.00 0.00 H new ATOM 0 HB2 SER A 343 76.572 -4.889 15.891 1.00 0.00 H new ATOM 0 HB3 SER A 343 77.845 -3.716 16.169 1.00 0.00 H new ATOM 0 HG SER A 343 76.215 -3.651 17.818 1.00 0.00 H new ATOM 224 N GLN A 344 77.331 -1.406 13.155 1.00 0.00 N ATOM 225 CA GLN A 344 78.197 -0.293 12.784 1.00 0.00 C ATOM 226 C GLN A 344 77.379 0.870 12.229 1.00 0.00 C ATOM 227 O GLN A 344 76.152 0.887 12.337 1.00 0.00 O ATOM 228 CB GLN A 344 79.231 -0.747 11.751 1.00 0.00 C ATOM 229 CG GLN A 344 80.605 -0.128 11.954 1.00 0.00 C ATOM 230 CD GLN A 344 81.601 -1.103 12.550 1.00 0.00 C ATOM 231 OE1 GLN A 344 82.266 -1.848 11.830 1.00 0.00 O ATOM 232 NE2 GLN A 344 81.710 -1.102 13.874 1.00 0.00 N ATOM 0 H GLN A 344 76.631 -1.648 12.453 1.00 0.00 H new ATOM 0 HA GLN A 344 78.716 0.047 13.680 1.00 0.00 H new ATOM 0 HB2 GLN A 344 79.321 -1.833 11.792 1.00 0.00 H new ATOM 0 HB3 GLN A 344 78.871 -0.494 10.754 1.00 0.00 H new ATOM 0 HG2 GLN A 344 80.982 0.232 10.997 1.00 0.00 H new ATOM 0 HG3 GLN A 344 80.516 0.740 12.608 1.00 0.00 H new ATOM 0 HE21 GLN A 344 81.139 -0.467 14.432 1.00 0.00 H new ATOM 0 HE22 GLN A 344 82.365 -1.736 14.332 1.00 0.00 H new ATOM 241 N VAL A 345 78.066 1.841 11.639 1.00 0.00 N ATOM 242 CA VAL A 345 77.408 3.011 11.070 1.00 0.00 C ATOM 243 C VAL A 345 77.847 3.237 9.625 1.00 0.00 C ATOM 244 O VAL A 345 79.012 3.029 9.284 1.00 0.00 O ATOM 245 CB VAL A 345 77.705 4.277 11.899 1.00 0.00 C ATOM 246 CG1 VAL A 345 79.186 4.625 11.844 1.00 0.00 C ATOM 247 CG2 VAL A 345 76.854 5.444 11.421 1.00 0.00 C ATOM 0 H VAL A 345 79.081 1.841 11.542 1.00 0.00 H new ATOM 0 HA VAL A 345 76.335 2.819 11.091 1.00 0.00 H new ATOM 0 HB VAL A 345 77.447 4.073 12.938 1.00 0.00 H new ATOM 0 HG11 VAL A 345 79.371 5.521 12.436 1.00 0.00 H new ATOM 0 HG12 VAL A 345 79.769 3.797 12.247 1.00 0.00 H new ATOM 0 HG13 VAL A 345 79.479 4.806 10.810 1.00 0.00 H new ATOM 0 HG21 VAL A 345 77.079 6.327 12.019 1.00 0.00 H new ATOM 0 HG22 VAL A 345 77.074 5.649 10.373 1.00 0.00 H new ATOM 0 HG23 VAL A 345 75.799 5.193 11.528 1.00 0.00 H new ATOM 257 N CYS A 346 76.905 3.660 8.781 1.00 0.00 N ATOM 258 CA CYS A 346 77.181 3.918 7.365 1.00 0.00 C ATOM 259 C CYS A 346 78.550 4.576 7.172 1.00 0.00 C ATOM 260 O CYS A 346 78.969 5.405 7.980 1.00 0.00 O ATOM 261 CB CYS A 346 76.079 4.806 6.776 1.00 0.00 C ATOM 262 SG CYS A 346 76.334 5.266 5.030 1.00 0.00 S ATOM 0 H CYS A 346 75.938 3.832 9.055 1.00 0.00 H new ATOM 0 HA CYS A 346 77.196 2.962 6.842 1.00 0.00 H new ATOM 0 HB2 CYS A 346 75.124 4.288 6.867 1.00 0.00 H new ATOM 0 HB3 CYS A 346 76.005 5.716 7.372 1.00 0.00 H new ATOM 267 N ASN A 347 79.245 4.194 6.101 1.00 0.00 N ATOM 268 CA ASN A 347 80.569 4.741 5.809 1.00 0.00 C ATOM 269 C ASN A 347 80.484 5.971 4.907 1.00 0.00 C ATOM 270 O ASN A 347 81.421 6.277 4.170 1.00 0.00 O ATOM 271 CB ASN A 347 81.453 3.683 5.147 1.00 0.00 C ATOM 272 CG ASN A 347 82.422 3.044 6.122 1.00 0.00 C ATOM 273 OD1 ASN A 347 83.635 3.066 5.914 1.00 0.00 O ATOM 274 ND2 ASN A 347 81.889 2.470 7.195 1.00 0.00 N ATOM 0 H ASN A 347 78.913 3.509 5.422 1.00 0.00 H new ATOM 0 HA ASN A 347 81.011 5.042 6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 347 80.822 2.910 4.707 1.00 0.00 H new ATOM 0 HB3 ASN A 347 82.012 4.140 4.331 1.00 0.00 H new ATOM 0 HD21 ASN A 347 82.491 2.024 7.887 1.00 0.00 H new ATOM 0 HD22 ASN A 347 80.878 2.476 7.327 1.00 0.00 H new ATOM 281 N VAL A 348 79.362 6.672 4.972 1.00 0.00 N ATOM 282 CA VAL A 348 79.159 7.868 4.162 1.00 0.00 C ATOM 283 C VAL A 348 78.551 8.998 4.990 1.00 0.00 C ATOM 284 O VAL A 348 79.230 9.970 5.322 1.00 0.00 O ATOM 285 CB VAL A 348 78.251 7.580 2.951 1.00 0.00 C ATOM 286 CG1 VAL A 348 78.174 8.793 2.037 1.00 0.00 C ATOM 287 CG2 VAL A 348 78.751 6.362 2.189 1.00 0.00 C ATOM 0 H VAL A 348 78.576 6.435 5.577 1.00 0.00 H new ATOM 0 HA VAL A 348 80.140 8.177 3.802 1.00 0.00 H new ATOM 0 HB VAL A 348 77.247 7.367 3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 348 77.528 8.569 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 348 77.766 9.640 2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 348 79.172 9.041 1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 348 78.098 6.173 1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 348 79.766 6.545 1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 348 78.748 5.494 2.848 1.00 0.00 H new ATOM 297 N CYS A 349 77.270 8.865 5.321 1.00 0.00 N ATOM 298 CA CYS A 349 76.577 9.877 6.111 1.00 0.00 C ATOM 299 C CYS A 349 76.687 9.573 7.602 1.00 0.00 C ATOM 300 O CYS A 349 76.754 10.483 8.428 1.00 0.00 O ATOM 301 CB CYS A 349 75.105 9.954 5.701 1.00 0.00 C ATOM 302 SG CYS A 349 74.172 8.415 5.983 1.00 0.00 S ATOM 0 H CYS A 349 76.692 8.068 5.055 1.00 0.00 H new ATOM 0 HA CYS A 349 77.051 10.840 5.919 1.00 0.00 H new ATOM 0 HB2 CYS A 349 74.627 10.762 6.254 1.00 0.00 H new ATOM 0 HB3 CYS A 349 75.047 10.213 4.644 1.00 0.00 H new ATOM 307 N GLN A 350 76.704 8.287 7.937 1.00 0.00 N ATOM 308 CA GLN A 350 76.806 7.858 9.327 1.00 0.00 C ATOM 309 C GLN A 350 75.603 8.332 10.136 1.00 0.00 C ATOM 310 O GLN A 350 75.549 9.482 10.572 1.00 0.00 O ATOM 311 CB GLN A 350 78.098 8.387 9.954 1.00 0.00 C ATOM 312 CG GLN A 350 79.282 7.448 9.793 1.00 0.00 C ATOM 313 CD GLN A 350 80.412 7.765 10.752 1.00 0.00 C ATOM 314 OE1 GLN A 350 80.101 7.798 12.043 1.00 0.00 O flip ATOM 315 NE2 GLN A 350 81.552 7.977 10.339 1.00 0.00 N flip ATOM 0 H GLN A 350 76.648 7.523 7.264 1.00 0.00 H new ATOM 0 HA GLN A 350 76.823 6.768 9.342 1.00 0.00 H new ATOM 0 HB2 GLN A 350 78.344 9.348 9.503 1.00 0.00 H new ATOM 0 HB3 GLN A 350 77.929 8.567 11.016 1.00 0.00 H new ATOM 0 HG2 GLN A 350 78.951 6.422 9.953 1.00 0.00 H new ATOM 0 HG3 GLN A 350 79.652 7.508 8.769 1.00 0.00 H new ATOM 0 HE21 GLN A 350 81.747 7.941 9.338 1.00 0.00 H new ATOM 0 HE22 GLN A 350 82.302 8.188 10.997 1.00 0.00 H new ATOM 324 N LYS A 351 74.639 7.437 10.335 1.00 0.00 N ATOM 325 CA LYS A 351 73.436 7.763 11.093 1.00 0.00 C ATOM 326 C LYS A 351 72.975 6.569 11.924 1.00 0.00 C ATOM 327 O LYS A 351 73.505 5.466 11.790 1.00 0.00 O ATOM 328 CB LYS A 351 72.315 8.202 10.148 1.00 0.00 C ATOM 329 CG LYS A 351 72.576 9.538 9.473 1.00 0.00 C ATOM 330 CD LYS A 351 71.923 10.682 10.232 1.00 0.00 C ATOM 331 CE LYS A 351 70.557 11.023 9.660 1.00 0.00 C ATOM 332 NZ LYS A 351 70.662 11.722 8.349 1.00 0.00 N ATOM 0 H LYS A 351 74.668 6.481 9.982 1.00 0.00 H new ATOM 0 HA LYS A 351 73.676 8.584 11.769 1.00 0.00 H new ATOM 0 HB2 LYS A 351 72.177 7.439 9.382 1.00 0.00 H new ATOM 0 HB3 LYS A 351 71.382 8.264 10.708 1.00 0.00 H new ATOM 0 HG2 LYS A 351 73.650 9.710 9.407 1.00 0.00 H new ATOM 0 HG3 LYS A 351 72.194 9.512 8.452 1.00 0.00 H new ATOM 0 HD2 LYS A 351 71.821 10.411 11.283 1.00 0.00 H new ATOM 0 HD3 LYS A 351 72.566 11.561 10.190 1.00 0.00 H new ATOM 0 HE2 LYS A 351 69.976 10.109 9.538 1.00 0.00 H new ATOM 0 HE3 LYS A 351 70.015 11.653 10.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 69.753 12.173 8.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 71.405 12.448 8.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 70.901 11.034 7.607 1.00 0.00 H new ATOM 346 N SER A 352 71.984 6.796 12.781 1.00 0.00 N ATOM 347 CA SER A 352 71.451 5.738 13.632 1.00 0.00 C ATOM 348 C SER A 352 70.737 4.680 12.798 1.00 0.00 C ATOM 349 O SER A 352 69.519 4.730 12.621 1.00 0.00 O ATOM 350 CB SER A 352 70.488 6.324 14.667 1.00 0.00 C ATOM 351 OG SER A 352 70.059 5.332 15.584 1.00 0.00 O ATOM 0 H SER A 352 71.534 7.703 12.904 1.00 0.00 H new ATOM 0 HA SER A 352 72.286 5.266 14.150 1.00 0.00 H new ATOM 0 HB2 SER A 352 70.978 7.135 15.206 1.00 0.00 H new ATOM 0 HB3 SER A 352 69.624 6.754 14.161 1.00 0.00 H new ATOM 0 HG SER A 352 69.446 5.732 16.236 1.00 0.00 H new ATOM 357 N MET A 353 71.503 3.725 12.283 1.00 0.00 N ATOM 358 CA MET A 353 70.948 2.654 11.461 1.00 0.00 C ATOM 359 C MET A 353 71.961 1.528 11.297 1.00 0.00 C ATOM 360 O MET A 353 73.067 1.598 11.832 1.00 0.00 O ATOM 361 CB MET A 353 70.532 3.185 10.080 1.00 0.00 C ATOM 362 CG MET A 353 71.267 4.446 9.637 1.00 0.00 C ATOM 363 SD MET A 353 70.160 5.690 8.945 1.00 0.00 S ATOM 364 CE MET A 353 69.510 6.436 10.438 1.00 0.00 C ATOM 0 H MET A 353 72.512 3.670 12.420 1.00 0.00 H new ATOM 0 HA MET A 353 70.064 2.266 11.967 1.00 0.00 H new ATOM 0 HB2 MET A 353 70.700 2.403 9.339 1.00 0.00 H new ATOM 0 HB3 MET A 353 69.461 3.389 10.091 1.00 0.00 H new ATOM 0 HG2 MET A 353 71.797 4.871 10.489 1.00 0.00 H new ATOM 0 HG3 MET A 353 72.019 4.181 8.894 1.00 0.00 H new ATOM 0 HE1 MET A 353 69.170 7.448 10.221 1.00 0.00 H new ATOM 0 HE2 MET A 353 68.673 5.843 10.806 1.00 0.00 H new ATOM 0 HE3 MET A 353 70.291 6.471 11.197 1.00 0.00 H new ATOM 374 N ILE A 354 71.612 0.528 10.494 1.00 0.00 N ATOM 375 CA ILE A 354 72.504 -0.538 10.196 1.00 0.00 C ATOM 376 C ILE A 354 72.330 -0.891 8.755 1.00 0.00 C ATOM 377 O ILE A 354 71.501 -1.707 8.352 1.00 0.00 O ATOM 378 CB ILE A 354 72.263 -1.771 11.063 1.00 0.00 C ATOM 379 CG1 ILE A 354 73.288 -2.861 10.745 1.00 0.00 C ATOM 380 CG2 ILE A 354 70.844 -2.295 10.878 1.00 0.00 C ATOM 381 CD1 ILE A 354 74.631 -2.636 11.403 1.00 0.00 C ATOM 0 H ILE A 354 70.700 0.453 10.043 1.00 0.00 H new ATOM 0 HA ILE A 354 73.521 -0.206 10.407 1.00 0.00 H new ATOM 0 HB ILE A 354 72.383 -1.482 12.107 1.00 0.00 H new ATOM 0 HG12 ILE A 354 72.893 -3.825 11.065 1.00 0.00 H new ATOM 0 HG13 ILE A 354 73.426 -2.915 9.665 1.00 0.00 H new ATOM 0 HG21 ILE A 354 70.696 -3.174 11.506 1.00 0.00 H new ATOM 0 HG22 ILE A 354 70.131 -1.522 11.162 1.00 0.00 H new ATOM 0 HG23 ILE A 354 70.689 -2.565 9.833 1.00 0.00 H new ATOM 0 HD11 ILE A 354 75.308 -3.447 11.134 1.00 0.00 H new ATOM 0 HD12 ILE A 354 75.048 -1.688 11.064 1.00 0.00 H new ATOM 0 HD13 ILE A 354 74.506 -2.611 12.486 1.00 0.00 H new ATOM 393 N PHE A 355 73.151 -0.259 8.022 1.00 0.00 N ATOM 394 CA PHE A 355 73.216 -0.424 6.582 1.00 0.00 C ATOM 395 C PHE A 355 74.659 -0.496 6.111 1.00 0.00 C ATOM 396 O PHE A 355 75.444 0.421 6.354 1.00 0.00 O ATOM 397 CB PHE A 355 72.492 0.726 5.883 1.00 0.00 C ATOM 398 CG PHE A 355 71.009 0.519 5.767 1.00 0.00 C ATOM 399 CD1 PHE A 355 70.500 -0.661 5.249 1.00 0.00 C ATOM 400 CD2 PHE A 355 70.124 1.504 6.175 1.00 0.00 C ATOM 401 CE1 PHE A 355 69.136 -0.855 5.141 1.00 0.00 C ATOM 402 CE2 PHE A 355 68.759 1.316 6.069 1.00 0.00 C ATOM 403 CZ PHE A 355 68.264 0.134 5.552 1.00 0.00 C ATOM 0 H PHE A 355 73.826 0.412 8.389 1.00 0.00 H new ATOM 0 HA PHE A 355 72.723 -1.361 6.324 1.00 0.00 H new ATOM 0 HB2 PHE A 355 72.680 1.649 6.431 1.00 0.00 H new ATOM 0 HB3 PHE A 355 72.912 0.856 4.885 1.00 0.00 H new ATOM 0 HD1 PHE A 355 71.177 -1.438 4.926 1.00 0.00 H new ATOM 0 HD2 PHE A 355 70.505 2.429 6.581 1.00 0.00 H new ATOM 0 HE1 PHE A 355 68.752 -1.779 4.735 1.00 0.00 H new ATOM 0 HE2 PHE A 355 68.080 2.092 6.390 1.00 0.00 H new ATOM 0 HZ PHE A 355 67.198 -0.016 5.470 1.00 0.00 H new ATOM 413 N GLY A 356 75.003 -1.573 5.421 1.00 0.00 N ATOM 414 CA GLY A 356 76.352 -1.710 4.917 1.00 0.00 C ATOM 415 C GLY A 356 76.408 -2.500 3.640 1.00 0.00 C ATOM 416 O GLY A 356 76.097 -3.686 3.613 1.00 0.00 O ATOM 0 H GLY A 356 74.377 -2.348 5.203 1.00 0.00 H new ATOM 0 HA2 GLY A 356 76.776 -0.720 4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 356 76.971 -2.198 5.670 1.00 0.00 H new ATOM 420 N VAL A 357 76.821 -1.839 2.584 1.00 0.00 N ATOM 421 CA VAL A 357 76.936 -2.479 1.286 1.00 0.00 C ATOM 422 C VAL A 357 78.395 -2.758 0.967 1.00 0.00 C ATOM 423 O VAL A 357 79.257 -1.900 1.143 1.00 0.00 O ATOM 424 CB VAL A 357 76.306 -1.624 0.163 1.00 0.00 C ATOM 425 CG1 VAL A 357 74.829 -1.392 0.439 1.00 0.00 C ATOM 426 CG2 VAL A 357 77.038 -0.297 0.005 1.00 0.00 C ATOM 0 H VAL A 357 77.085 -0.854 2.594 1.00 0.00 H new ATOM 0 HA VAL A 357 76.387 -3.419 1.335 1.00 0.00 H new ATOM 0 HB VAL A 357 76.403 -2.172 -0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 357 74.400 -0.788 -0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 357 74.313 -2.351 0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 357 74.714 -0.870 1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 357 76.572 0.283 -0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 357 76.984 0.262 0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 357 78.082 -0.485 -0.245 1.00 0.00 H new ATOM 436 N LYS A 358 78.670 -3.968 0.510 1.00 0.00 N ATOM 437 CA LYS A 358 80.026 -4.360 0.183 1.00 0.00 C ATOM 438 C LYS A 358 80.224 -4.421 -1.320 1.00 0.00 C ATOM 439 O LYS A 358 79.539 -5.173 -2.016 1.00 0.00 O ATOM 440 CB LYS A 358 80.352 -5.718 0.808 1.00 0.00 C ATOM 441 CG LYS A 358 81.794 -5.842 1.275 1.00 0.00 C ATOM 442 CD LYS A 358 81.902 -6.700 2.525 1.00 0.00 C ATOM 443 CE LYS A 358 81.657 -8.168 2.217 1.00 0.00 C ATOM 444 NZ LYS A 358 81.931 -9.036 3.396 1.00 0.00 N ATOM 0 H LYS A 358 77.970 -4.694 0.358 1.00 0.00 H new ATOM 0 HA LYS A 358 80.703 -3.609 0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 358 79.688 -5.887 1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 358 80.146 -6.503 0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 358 82.399 -6.278 0.480 1.00 0.00 H new ATOM 0 HG3 LYS A 358 82.199 -4.850 1.477 1.00 0.00 H new ATOM 0 HD2 LYS A 358 82.892 -6.580 2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 358 81.180 -6.357 3.266 1.00 0.00 H new ATOM 0 HE2 LYS A 358 80.624 -8.304 1.898 1.00 0.00 H new ATOM 0 HE3 LYS A 358 82.291 -8.475 1.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 358 81.752 -10.029 3.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 358 82.924 -8.925 3.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 358 81.309 -8.760 4.182 1.00 0.00 H new ATOM 458 N CYS A 359 81.175 -3.633 -1.806 1.00 0.00 N ATOM 459 CA CYS A 359 81.493 -3.597 -3.224 1.00 0.00 C ATOM 460 C CYS A 359 82.746 -4.418 -3.476 1.00 0.00 C ATOM 461 O CYS A 359 83.771 -4.202 -2.828 1.00 0.00 O ATOM 462 CB CYS A 359 81.681 -2.143 -3.702 1.00 0.00 C ATOM 463 SG CYS A 359 83.403 -1.653 -4.086 1.00 0.00 S ATOM 0 H CYS A 359 81.741 -3.007 -1.233 1.00 0.00 H new ATOM 0 HA CYS A 359 80.667 -4.026 -3.791 1.00 0.00 H new ATOM 0 HB2 CYS A 359 81.072 -1.991 -4.593 1.00 0.00 H new ATOM 0 HB3 CYS A 359 81.295 -1.474 -2.933 1.00 0.00 H new ATOM 468 N LYS A 360 82.673 -5.349 -4.416 1.00 0.00 N ATOM 469 CA LYS A 360 83.782 -6.162 -4.741 1.00 0.00 C ATOM 470 C LYS A 360 84.682 -5.424 -5.696 1.00 0.00 C ATOM 471 O LYS A 360 84.492 -4.241 -5.977 1.00 0.00 O ATOM 472 CB LYS A 360 83.287 -7.471 -5.351 1.00 0.00 C ATOM 473 CG LYS A 360 83.389 -8.678 -4.424 1.00 0.00 C ATOM 474 CD LYS A 360 83.125 -8.310 -2.969 1.00 0.00 C ATOM 475 CE LYS A 360 82.124 -9.253 -2.323 1.00 0.00 C ATOM 476 NZ LYS A 360 80.918 -9.453 -3.172 1.00 0.00 N ATOM 0 H LYS A 360 81.833 -5.544 -4.961 1.00 0.00 H new ATOM 0 HA LYS A 360 84.354 -6.395 -3.842 1.00 0.00 H new ATOM 0 HB2 LYS A 360 82.247 -7.347 -5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 360 83.859 -7.675 -6.256 1.00 0.00 H new ATOM 0 HG2 LYS A 360 82.675 -9.438 -4.740 1.00 0.00 H new ATOM 0 HG3 LYS A 360 84.382 -9.118 -4.511 1.00 0.00 H new ATOM 0 HD2 LYS A 360 84.061 -8.336 -2.412 1.00 0.00 H new ATOM 0 HD3 LYS A 360 82.750 -7.288 -2.915 1.00 0.00 H new ATOM 0 HE2 LYS A 360 82.600 -10.216 -2.137 1.00 0.00 H new ATOM 0 HE3 LYS A 360 81.823 -8.854 -1.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 360 80.080 -9.557 -2.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 360 80.793 -8.631 -3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 360 81.037 -10.311 -3.748 1.00 0.00 H new ATOM 490 N HIS A 361 85.660 -6.135 -6.172 1.00 0.00 N ATOM 491 CA HIS A 361 86.649 -5.591 -7.101 1.00 0.00 C ATOM 492 C HIS A 361 87.513 -4.517 -6.425 1.00 0.00 C ATOM 493 O HIS A 361 88.694 -4.373 -6.740 1.00 0.00 O ATOM 494 CB HIS A 361 85.958 -5.005 -8.336 1.00 0.00 C ATOM 495 CG HIS A 361 85.961 -5.926 -9.516 1.00 0.00 C ATOM 496 ND1 HIS A 361 85.529 -5.546 -10.770 1.00 0.00 N ATOM 497 CD2 HIS A 361 86.349 -7.219 -9.631 1.00 0.00 C ATOM 498 CE1 HIS A 361 85.650 -6.564 -11.603 1.00 0.00 C ATOM 499 NE2 HIS A 361 86.145 -7.591 -10.937 1.00 0.00 N ATOM 0 H HIS A 361 85.809 -7.116 -5.935 1.00 0.00 H new ATOM 0 HA HIS A 361 87.300 -6.409 -7.411 1.00 0.00 H new ATOM 0 HB2 HIS A 361 84.928 -4.756 -8.082 1.00 0.00 H new ATOM 0 HB3 HIS A 361 86.452 -4.073 -8.611 1.00 0.00 H new ATOM 0 HD2 HIS A 361 86.745 -7.841 -8.842 1.00 0.00 H new ATOM 0 HE1 HIS A 361 85.388 -6.557 -12.651 1.00 0.00 H new ATOM 0 HE2 HIS A 361 86.344 -8.511 -11.329 1.00 0.00 H new ATOM 508 N CYS A 362 86.913 -3.764 -5.502 1.00 0.00 N ATOM 509 CA CYS A 362 87.616 -2.703 -4.788 1.00 0.00 C ATOM 510 C CYS A 362 87.529 -2.909 -3.275 1.00 0.00 C ATOM 511 O CYS A 362 88.492 -2.654 -2.551 1.00 0.00 O ATOM 512 CB CYS A 362 87.032 -1.332 -5.154 1.00 0.00 C ATOM 513 SG CYS A 362 86.111 -1.292 -6.730 1.00 0.00 S ATOM 0 H CYS A 362 85.935 -3.872 -5.232 1.00 0.00 H new ATOM 0 HA CYS A 362 88.664 -2.739 -5.086 1.00 0.00 H new ATOM 0 HB2 CYS A 362 86.368 -1.009 -4.352 1.00 0.00 H new ATOM 0 HB3 CYS A 362 87.845 -0.608 -5.205 1.00 0.00 H new ATOM 518 N ARG A 363 86.366 -3.367 -2.806 1.00 0.00 N ATOM 519 CA ARG A 363 86.140 -3.606 -1.378 1.00 0.00 C ATOM 520 C ARG A 363 85.842 -2.301 -0.643 1.00 0.00 C ATOM 521 O ARG A 363 86.753 -1.622 -0.171 1.00 0.00 O ATOM 522 CB ARG A 363 87.352 -4.297 -0.743 1.00 0.00 C ATOM 523 CG ARG A 363 87.015 -5.079 0.516 1.00 0.00 C ATOM 524 CD ARG A 363 87.200 -4.231 1.764 1.00 0.00 C ATOM 525 NE ARG A 363 87.339 -5.050 2.967 1.00 0.00 N ATOM 526 CZ ARG A 363 88.457 -5.687 3.305 1.00 0.00 C ATOM 527 NH1 ARG A 363 89.536 -5.603 2.535 1.00 0.00 N ATOM 528 NH2 ARG A 363 88.498 -6.410 4.416 1.00 0.00 N ATOM 0 H ARG A 363 85.563 -3.581 -3.397 1.00 0.00 H new ATOM 0 HA ARG A 363 85.274 -4.261 -1.287 1.00 0.00 H new ATOM 0 HB2 ARG A 363 87.798 -4.973 -1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 363 88.104 -3.545 -0.504 1.00 0.00 H new ATOM 0 HG2 ARG A 363 85.984 -5.430 0.463 1.00 0.00 H new ATOM 0 HG3 ARG A 363 87.650 -5.963 0.578 1.00 0.00 H new ATOM 0 HD2 ARG A 363 88.084 -3.604 1.648 1.00 0.00 H new ATOM 0 HD3 ARG A 363 86.347 -3.562 1.877 1.00 0.00 H new ATOM 0 HE ARG A 363 86.531 -5.138 3.584 1.00 0.00 H new ATOM 0 HH11 ARG A 363 89.510 -5.048 1.680 1.00 0.00 H new ATOM 0 HH12 ARG A 363 90.390 -6.093 2.799 1.00 0.00 H new ATOM 0 HH21 ARG A 363 87.672 -6.478 5.011 1.00 0.00 H new ATOM 0 HH22 ARG A 363 89.355 -6.898 4.675 1.00 0.00 H new ATOM 542 N LEU A 364 84.559 -1.954 -0.552 1.00 0.00 N ATOM 543 CA LEU A 364 84.144 -0.724 0.127 1.00 0.00 C ATOM 544 C LEU A 364 82.865 -0.940 0.937 1.00 0.00 C ATOM 545 O LEU A 364 82.167 -1.938 0.755 1.00 0.00 O ATOM 546 CB LEU A 364 83.929 0.394 -0.896 1.00 0.00 C ATOM 547 CG LEU A 364 83.774 1.797 -0.305 1.00 0.00 C ATOM 548 CD1 LEU A 364 84.947 2.126 0.606 1.00 0.00 C ATOM 549 CD2 LEU A 364 83.654 2.830 -1.415 1.00 0.00 C ATOM 0 H LEU A 364 83.791 -2.503 -0.937 1.00 0.00 H new ATOM 0 HA LEU A 364 84.938 -0.437 0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 364 84.772 0.399 -1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 364 83.039 0.163 -1.481 1.00 0.00 H new ATOM 0 HG LEU A 364 82.861 1.822 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 364 84.819 3.128 1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 364 84.989 1.403 1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 364 85.874 2.084 0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 364 83.544 3.823 -0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 364 84.550 2.803 -2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 364 82.781 2.605 -2.028 1.00 0.00 H new ATOM 561 N LYS A 365 82.559 0.003 1.831 1.00 0.00 N ATOM 562 CA LYS A 365 81.364 -0.087 2.662 1.00 0.00 C ATOM 563 C LYS A 365 80.542 1.196 2.561 1.00 0.00 C ATOM 564 O LYS A 365 81.084 2.297 2.654 1.00 0.00 O ATOM 565 CB LYS A 365 81.747 -0.349 4.119 1.00 0.00 C ATOM 566 CG LYS A 365 80.550 -0.534 5.039 1.00 0.00 C ATOM 567 CD LYS A 365 80.829 -1.571 6.115 1.00 0.00 C ATOM 568 CE LYS A 365 79.605 -2.429 6.393 1.00 0.00 C ATOM 569 NZ LYS A 365 79.971 -3.846 6.668 1.00 0.00 N ATOM 0 H LYS A 365 83.124 0.836 1.995 1.00 0.00 H new ATOM 0 HA LYS A 365 80.759 -0.919 2.301 1.00 0.00 H new ATOM 0 HB2 LYS A 365 82.373 -1.240 4.167 1.00 0.00 H new ATOM 0 HB3 LYS A 365 82.349 0.483 4.483 1.00 0.00 H new ATOM 0 HG2 LYS A 365 80.298 0.418 5.506 1.00 0.00 H new ATOM 0 HG3 LYS A 365 79.683 -0.840 4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 365 81.657 -2.207 5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 365 81.140 -1.071 7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 365 79.063 -2.022 7.246 1.00 0.00 H new ATOM 0 HE3 LYS A 365 78.931 -2.388 5.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 79.150 -4.346 7.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 80.263 -4.307 5.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 80.756 -3.876 7.349 1.00 0.00 H new ATOM 583 N CYS A 366 79.236 1.050 2.360 1.00 0.00 N ATOM 584 CA CYS A 366 78.348 2.204 2.239 1.00 0.00 C ATOM 585 C CYS A 366 76.904 1.830 2.567 1.00 0.00 C ATOM 586 O CYS A 366 76.531 0.660 2.529 1.00 0.00 O ATOM 587 CB CYS A 366 78.423 2.812 0.829 1.00 0.00 C ATOM 588 SG CYS A 366 79.361 1.836 -0.373 1.00 0.00 S ATOM 0 H CYS A 366 78.769 0.147 2.277 1.00 0.00 H new ATOM 0 HA CYS A 366 78.685 2.948 2.961 1.00 0.00 H new ATOM 0 HB2 CYS A 366 77.409 2.947 0.453 1.00 0.00 H new ATOM 0 HB3 CYS A 366 78.872 3.803 0.900 1.00 0.00 H new ATOM 0 HG CYS A 366 78.545 1.313 -1.239 1.00 0.00 H new ATOM 594 N HIS A 367 76.096 2.840 2.883 1.00 0.00 N ATOM 595 CA HIS A 367 74.683 2.639 3.209 1.00 0.00 C ATOM 596 C HIS A 367 74.011 1.722 2.190 1.00 0.00 C ATOM 597 O HIS A 367 74.618 1.339 1.192 1.00 0.00 O ATOM 598 CB HIS A 367 73.962 3.989 3.219 1.00 0.00 C ATOM 599 CG HIS A 367 73.342 4.343 4.531 1.00 0.00 C ATOM 600 ND1 HIS A 367 73.777 5.427 5.246 1.00 0.00 N ATOM 601 CD2 HIS A 367 72.325 3.747 5.198 1.00 0.00 C ATOM 602 CE1 HIS A 367 73.022 5.474 6.329 1.00 0.00 C ATOM 603 NE2 HIS A 367 72.127 4.474 6.344 1.00 0.00 N ATOM 0 H HIS A 367 76.398 3.814 2.921 1.00 0.00 H new ATOM 0 HA HIS A 367 74.623 2.173 4.193 1.00 0.00 H new ATOM 0 HB2 HIS A 367 74.672 4.769 2.943 1.00 0.00 H new ATOM 0 HB3 HIS A 367 73.186 3.979 2.454 1.00 0.00 H new ATOM 0 HD2 HIS A 367 71.777 2.870 4.888 1.00 0.00 H new ATOM 0 HE1 HIS A 367 73.113 6.221 7.103 1.00 0.00 H new ATOM 0 HE2 HIS A 367 71.433 4.290 7.068 1.00 0.00 H new ATOM 611 N ASN A 368 72.741 1.397 2.428 1.00 0.00 N ATOM 612 CA ASN A 368 71.992 0.551 1.502 1.00 0.00 C ATOM 613 C ASN A 368 72.160 1.068 0.076 1.00 0.00 C ATOM 614 O ASN A 368 72.110 0.307 -0.890 1.00 0.00 O ATOM 615 CB ASN A 368 70.510 0.523 1.881 1.00 0.00 C ATOM 616 CG ASN A 368 69.868 1.895 1.808 1.00 0.00 C ATOM 617 OD1 ASN A 368 69.758 2.485 0.734 1.00 0.00 O ATOM 618 ND2 ASN A 368 69.440 2.410 2.955 1.00 0.00 N ATOM 0 H ASN A 368 72.214 1.703 3.246 1.00 0.00 H new ATOM 0 HA ASN A 368 72.383 -0.465 1.562 1.00 0.00 H new ATOM 0 HB2 ASN A 368 69.980 -0.159 1.215 1.00 0.00 H new ATOM 0 HB3 ASN A 368 70.404 0.129 2.892 1.00 0.00 H new ATOM 0 HD21 ASN A 368 69.000 3.330 2.968 1.00 0.00 H new ATOM 0 HD22 ASN A 368 69.552 1.886 3.823 1.00 0.00 H new ATOM 625 N LYS A 369 72.379 2.376 -0.034 1.00 0.00 N ATOM 626 CA LYS A 369 72.579 3.027 -1.319 1.00 0.00 C ATOM 627 C LYS A 369 73.423 4.285 -1.139 1.00 0.00 C ATOM 628 O LYS A 369 74.600 4.313 -1.501 1.00 0.00 O ATOM 629 CB LYS A 369 71.233 3.377 -1.958 1.00 0.00 C ATOM 630 CG LYS A 369 70.792 2.389 -3.027 1.00 0.00 C ATOM 631 CD LYS A 369 71.875 2.182 -4.075 1.00 0.00 C ATOM 632 CE LYS A 369 71.303 2.203 -5.483 1.00 0.00 C ATOM 633 NZ LYS A 369 70.641 3.500 -5.794 1.00 0.00 N ATOM 0 H LYS A 369 72.422 3.010 0.764 1.00 0.00 H new ATOM 0 HA LYS A 369 73.105 2.340 -1.982 1.00 0.00 H new ATOM 0 HB2 LYS A 369 70.471 3.422 -1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 369 71.297 4.372 -2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 369 70.546 1.434 -2.562 1.00 0.00 H new ATOM 0 HG3 LYS A 369 69.884 2.753 -3.508 1.00 0.00 H new ATOM 0 HD2 LYS A 369 72.631 2.962 -3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 369 72.375 1.230 -3.899 1.00 0.00 H new ATOM 0 HE2 LYS A 369 72.102 2.021 -6.202 1.00 0.00 H new ATOM 0 HE3 LYS A 369 70.583 1.392 -5.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 70.674 3.670 -6.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 69.650 3.468 -5.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 71.136 4.270 -5.300 1.00 0.00 H new ATOM 647 N CYS A 370 72.813 5.321 -0.563 1.00 0.00 N ATOM 648 CA CYS A 370 73.497 6.593 -0.312 1.00 0.00 C ATOM 649 C CYS A 370 74.385 6.995 -1.488 1.00 0.00 C ATOM 650 O CYS A 370 75.417 7.641 -1.307 1.00 0.00 O ATOM 651 CB CYS A 370 74.336 6.496 0.966 1.00 0.00 C ATOM 652 SG CYS A 370 73.479 7.080 2.469 1.00 0.00 S ATOM 0 H CYS A 370 71.839 5.305 -0.259 1.00 0.00 H new ATOM 0 HA CYS A 370 72.734 7.362 -0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 370 74.636 5.458 1.112 1.00 0.00 H new ATOM 0 HB3 CYS A 370 75.249 7.076 0.833 1.00 0.00 H new ATOM 657 N THR A 371 73.976 6.606 -2.690 1.00 0.00 N ATOM 658 CA THR A 371 74.734 6.923 -3.896 1.00 0.00 C ATOM 659 C THR A 371 74.903 8.432 -4.053 1.00 0.00 C ATOM 660 O THR A 371 75.909 8.902 -4.584 1.00 0.00 O ATOM 661 CB THR A 371 74.042 6.340 -5.132 1.00 0.00 C ATOM 662 OG1 THR A 371 72.814 5.725 -4.781 1.00 0.00 O ATOM 663 CG2 THR A 371 74.883 5.309 -5.855 1.00 0.00 C ATOM 0 H THR A 371 73.124 6.071 -2.856 1.00 0.00 H new ATOM 0 HA THR A 371 75.723 6.474 -3.800 1.00 0.00 H new ATOM 0 HB THR A 371 73.879 7.187 -5.798 1.00 0.00 H new ATOM 0 HG1 THR A 371 72.079 6.167 -5.256 1.00 0.00 H new ATOM 0 HG21 THR A 371 74.336 4.935 -6.721 1.00 0.00 H new ATOM 0 HG22 THR A 371 75.816 5.767 -6.185 1.00 0.00 H new ATOM 0 HG23 THR A 371 75.104 4.482 -5.181 1.00 0.00 H new ATOM 671 N LYS A 372 73.912 9.185 -3.588 1.00 0.00 N ATOM 672 CA LYS A 372 73.951 10.640 -3.677 1.00 0.00 C ATOM 673 C LYS A 372 75.070 11.210 -2.811 1.00 0.00 C ATOM 674 O LYS A 372 75.627 12.265 -3.115 1.00 0.00 O ATOM 675 CB LYS A 372 72.608 11.234 -3.251 1.00 0.00 C ATOM 676 CG LYS A 372 72.354 12.626 -3.808 1.00 0.00 C ATOM 677 CD LYS A 372 72.041 12.582 -5.294 1.00 0.00 C ATOM 678 CE LYS A 372 70.627 12.088 -5.552 1.00 0.00 C ATOM 679 NZ LYS A 372 70.549 11.233 -6.768 1.00 0.00 N ATOM 0 H LYS A 372 73.072 8.812 -3.146 1.00 0.00 H new ATOM 0 HA LYS A 372 74.147 10.910 -4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 372 71.807 10.570 -3.576 1.00 0.00 H new ATOM 0 HB3 LYS A 372 72.567 11.274 -2.163 1.00 0.00 H new ATOM 0 HG2 LYS A 372 71.523 13.087 -3.274 1.00 0.00 H new ATOM 0 HG3 LYS A 372 73.230 13.253 -3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 372 72.164 13.577 -5.722 1.00 0.00 H new ATOM 0 HD3 LYS A 372 72.753 11.928 -5.798 1.00 0.00 H new ATOM 0 HE2 LYS A 372 70.277 11.523 -4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 372 69.959 12.942 -5.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 69.568 10.917 -6.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 70.858 11.779 -7.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 71.166 10.404 -6.650 1.00 0.00 H new ATOM 693 N GLU A 373 75.394 10.507 -1.730 1.00 0.00 N ATOM 694 CA GLU A 373 76.446 10.946 -0.820 1.00 0.00 C ATOM 695 C GLU A 373 77.738 10.173 -1.066 1.00 0.00 C ATOM 696 O GLU A 373 78.774 10.760 -1.377 1.00 0.00 O ATOM 697 CB GLU A 373 76.000 10.767 0.632 1.00 0.00 C ATOM 698 CG GLU A 373 74.894 11.722 1.051 1.00 0.00 C ATOM 699 CD GLU A 373 73.516 11.098 0.951 1.00 0.00 C ATOM 700 OE1 GLU A 373 73.200 10.524 -0.113 1.00 0.00 O ATOM 701 OE2 GLU A 373 72.752 11.184 1.935 1.00 0.00 O ATOM 0 H GLU A 373 74.943 9.632 -1.463 1.00 0.00 H new ATOM 0 HA GLU A 373 76.636 12.003 -1.008 1.00 0.00 H new ATOM 0 HB2 GLU A 373 75.657 9.742 0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 373 76.859 10.909 1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 373 75.068 12.046 2.077 1.00 0.00 H new ATOM 0 HG3 GLU A 373 74.932 12.613 0.424 1.00 0.00 H new ATOM 708 N ALA A 374 77.669 8.853 -0.923 1.00 0.00 N ATOM 709 CA ALA A 374 78.834 8.000 -1.129 1.00 0.00 C ATOM 710 C ALA A 374 79.399 8.169 -2.537 1.00 0.00 C ATOM 711 O ALA A 374 78.654 8.396 -3.490 1.00 0.00 O ATOM 712 CB ALA A 374 78.472 6.544 -0.875 1.00 0.00 C ATOM 0 H ALA A 374 76.819 8.351 -0.665 1.00 0.00 H new ATOM 0 HA ALA A 374 79.604 8.302 -0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 374 79.350 5.918 -1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 374 78.124 6.429 0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 374 77.682 6.240 -1.562 1.00 0.00 H new ATOM 718 N PRO A 375 80.731 8.059 -2.687 1.00 0.00 N ATOM 719 CA PRO A 375 81.392 8.201 -3.986 1.00 0.00 C ATOM 720 C PRO A 375 81.245 6.952 -4.849 1.00 0.00 C ATOM 721 O PRO A 375 80.995 5.860 -4.340 1.00 0.00 O ATOM 722 CB PRO A 375 82.855 8.419 -3.605 1.00 0.00 C ATOM 723 CG PRO A 375 83.019 7.687 -2.318 1.00 0.00 C ATOM 724 CD PRO A 375 81.697 7.789 -1.603 1.00 0.00 C ATOM 0 HA PRO A 375 80.964 9.008 -4.581 1.00 0.00 H new ATOM 0 HB2 PRO A 375 83.527 8.031 -4.371 1.00 0.00 H new ATOM 0 HB3 PRO A 375 83.081 9.479 -3.490 1.00 0.00 H new ATOM 0 HG2 PRO A 375 83.286 6.645 -2.494 1.00 0.00 H new ATOM 0 HG3 PRO A 375 83.819 8.125 -1.721 1.00 0.00 H new ATOM 0 HD2 PRO A 375 81.457 6.867 -1.073 1.00 0.00 H new ATOM 0 HD3 PRO A 375 81.703 8.590 -0.863 1.00 0.00 H new ATOM 732 N ALA A 376 81.403 7.121 -6.158 1.00 0.00 N ATOM 733 CA ALA A 376 81.289 6.007 -7.091 1.00 0.00 C ATOM 734 C ALA A 376 82.299 4.912 -6.763 1.00 0.00 C ATOM 735 O ALA A 376 83.340 5.174 -6.161 1.00 0.00 O ATOM 736 CB ALA A 376 81.481 6.493 -8.519 1.00 0.00 C ATOM 0 H ALA A 376 81.610 8.019 -6.596 1.00 0.00 H new ATOM 0 HA ALA A 376 80.289 5.585 -6.994 1.00 0.00 H new ATOM 0 HB1 ALA A 376 81.393 5.650 -9.205 1.00 0.00 H new ATOM 0 HB2 ALA A 376 80.719 7.235 -8.756 1.00 0.00 H new ATOM 0 HB3 ALA A 376 82.469 6.942 -8.621 1.00 0.00 H new ATOM 742 N CYS A 377 81.984 3.684 -7.162 1.00 0.00 N ATOM 743 CA CYS A 377 82.864 2.551 -6.910 1.00 0.00 C ATOM 744 C CYS A 377 84.220 2.756 -7.583 1.00 0.00 C ATOM 745 O CYS A 377 84.573 3.875 -7.956 1.00 0.00 O ATOM 746 CB CYS A 377 82.213 1.257 -7.408 1.00 0.00 C ATOM 747 SG CYS A 377 82.078 -0.044 -6.139 1.00 0.00 S ATOM 0 H CYS A 377 81.126 3.449 -7.661 1.00 0.00 H new ATOM 0 HA CYS A 377 83.026 2.474 -5.835 1.00 0.00 H new ATOM 0 HB2 CYS A 377 81.216 1.486 -7.786 1.00 0.00 H new ATOM 0 HB3 CYS A 377 82.791 0.872 -8.248 1.00 0.00 H new ATOM 752 N ARG A 378 84.976 1.672 -7.732 1.00 0.00 N ATOM 753 CA ARG A 378 86.292 1.737 -8.358 1.00 0.00 C ATOM 754 C ARG A 378 87.243 2.600 -7.536 1.00 0.00 C ATOM 755 O ARG A 378 86.869 2.980 -6.407 1.00 0.00 O ATOM 756 CB ARG A 378 86.181 2.292 -9.780 1.00 0.00 C ATOM 757 CG ARG A 378 85.262 1.482 -10.680 1.00 0.00 C ATOM 758 CD ARG A 378 85.173 2.085 -12.072 1.00 0.00 C ATOM 759 NE ARG A 378 84.538 3.401 -12.059 1.00 0.00 N ATOM 760 CZ ARG A 378 83.229 3.590 -11.906 1.00 0.00 C ATOM 761 NH1 ARG A 378 82.415 2.554 -11.753 1.00 0.00 N ATOM 762 NH2 ARG A 378 82.733 4.820 -11.906 1.00 0.00 N ATOM 763 OXT ARG A 378 88.355 2.888 -8.028 1.00 0.00 O ATOM 0 H ARG A 378 84.700 0.739 -7.428 1.00 0.00 H new ATOM 0 HA ARG A 378 86.694 0.725 -8.403 1.00 0.00 H new ATOM 0 HB2 ARG A 378 85.817 3.318 -9.733 1.00 0.00 H new ATOM 0 HB3 ARG A 378 87.175 2.326 -10.226 1.00 0.00 H new ATOM 0 HG2 ARG A 378 85.628 0.458 -10.749 1.00 0.00 H new ATOM 0 HG3 ARG A 378 84.267 1.435 -10.238 1.00 0.00 H new ATOM 0 HD2 ARG A 378 86.174 2.170 -12.495 1.00 0.00 H new ATOM 0 HD3 ARG A 378 84.608 1.416 -12.721 1.00 0.00 H new ATOM 0 HE ARG A 378 85.132 4.222 -12.174 1.00 0.00 H new ATOM 0 HH11 ARG A 378 82.791 1.606 -11.752 1.00 0.00 H new ATOM 0 HH12 ARG A 378 81.413 2.706 -11.636 1.00 0.00 H new ATOM 0 HH21 ARG A 378 83.354 5.620 -12.023 1.00 0.00 H new ATOM 0 HH22 ARG A 378 81.730 4.966 -11.789 1.00 0.00 H new TER 777 ARG A 378 HETATM 778 ZN ZN A 1 83.824 -1.533 -6.364 1.00 0.00 ZN HETATM 779 ZN ZN A 2 74.814 6.897 4.380 1.00 0.00 ZN