USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=12 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 338 THR OG1 : rot -146:sc= -1.95 USER MOD Set 1.2: A 368 ASN : amide:sc= -0.289 K(o=-2.2,f=-3.9) USER MOD Single : A 331 SER OG : rot -50:sc= 1.03 USER MOD Single : A 333 THR OG1 : rot 180:sc= 0 USER MOD Single : A 337 SER OG : rot 180:sc= 0 USER MOD Single : A 339 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 SER OG : rot 37:sc= 0.554 USER MOD Single : A 343 SER OG : rot -161:sc= 1.04 USER MOD Single : A 344 GLN : amide:sc= -0.273 X(o=-0.27,f=0) USER MOD Single : A 347 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 350 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 352 SER OG : rot 180:sc= 0 USER MOD Single : A 353 MET CE :methyl -146:sc= -3.72 (180deg=-6.55!) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 360 LYS NZ :NH3+ 165:sc= -0.0502 (180deg=-0.318) USER MOD Single : A 361 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.11) USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 CYS SG : rot -71:sc= -1.9! USER MOD Single : A 369 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 371 THR OG1 : rot 180:sc= 0 USER MOD Single : A 372 LYS NZ :NH3+ -150:sc= -0.0414 (180deg=-0.442) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 330 89.663 8.360 -9.655 1.00 0.00 N ATOM 2 CA GLY A 330 89.531 9.763 -10.136 1.00 0.00 C ATOM 3 C GLY A 330 88.278 9.979 -10.960 1.00 0.00 C ATOM 4 O GLY A 330 88.249 9.669 -12.151 1.00 0.00 O ATOM 0 HA2 GLY A 330 89.520 10.438 -9.280 1.00 0.00 H new ATOM 0 HA3 GLY A 330 90.404 10.022 -10.734 1.00 0.00 H new ATOM 10 N SER A 331 87.238 10.510 -10.325 1.00 0.00 N ATOM 11 CA SER A 331 85.975 10.767 -11.008 1.00 0.00 C ATOM 12 C SER A 331 85.378 9.473 -11.551 1.00 0.00 C ATOM 13 O SER A 331 84.754 9.463 -12.612 1.00 0.00 O ATOM 14 CB SER A 331 86.181 11.765 -12.148 1.00 0.00 C ATOM 15 OG SER A 331 84.955 12.063 -12.793 1.00 0.00 O ATOM 0 H SER A 331 87.245 10.771 -9.339 1.00 0.00 H new ATOM 0 HA SER A 331 85.279 11.192 -10.285 1.00 0.00 H new ATOM 0 HB2 SER A 331 86.622 12.682 -11.757 1.00 0.00 H new ATOM 0 HB3 SER A 331 86.886 11.355 -12.871 1.00 0.00 H new ATOM 0 HG SER A 331 84.496 11.229 -13.024 1.00 0.00 H new ATOM 21 N VAL A 332 85.573 8.383 -10.816 1.00 0.00 N ATOM 22 CA VAL A 332 85.053 7.083 -11.224 1.00 0.00 C ATOM 23 C VAL A 332 84.384 6.368 -10.055 1.00 0.00 C ATOM 24 O VAL A 332 84.399 5.139 -9.975 1.00 0.00 O ATOM 25 CB VAL A 332 86.169 6.184 -11.789 1.00 0.00 C ATOM 26 CG1 VAL A 332 86.723 6.767 -13.080 1.00 0.00 C ATOM 27 CG2 VAL A 332 87.275 5.996 -10.762 1.00 0.00 C ATOM 0 H VAL A 332 86.087 8.374 -9.935 1.00 0.00 H new ATOM 0 HA VAL A 332 84.315 7.268 -12.005 1.00 0.00 H new ATOM 0 HB VAL A 332 85.743 5.206 -12.013 1.00 0.00 H new ATOM 0 HG11 VAL A 332 87.510 6.118 -13.464 1.00 0.00 H new ATOM 0 HG12 VAL A 332 85.924 6.843 -13.817 1.00 0.00 H new ATOM 0 HG13 VAL A 332 87.133 7.758 -12.885 1.00 0.00 H new ATOM 0 HG21 VAL A 332 88.054 5.358 -11.179 1.00 0.00 H new ATOM 0 HG22 VAL A 332 87.700 6.966 -10.503 1.00 0.00 H new ATOM 0 HG23 VAL A 332 86.865 5.529 -9.867 1.00 0.00 H new ATOM 37 N THR A 333 83.796 7.145 -9.151 1.00 0.00 N ATOM 38 CA THR A 333 83.121 6.585 -7.986 1.00 0.00 C ATOM 39 C THR A 333 81.662 6.271 -8.301 1.00 0.00 C ATOM 40 O THR A 333 80.903 7.147 -8.714 1.00 0.00 O ATOM 41 CB THR A 333 83.202 7.557 -6.808 1.00 0.00 C ATOM 42 OG1 THR A 333 82.392 7.113 -5.734 1.00 0.00 O ATOM 43 CG2 THR A 333 82.767 8.963 -7.160 1.00 0.00 C ATOM 0 H THR A 333 83.773 8.163 -9.203 1.00 0.00 H new ATOM 0 HA THR A 333 83.624 5.656 -7.718 1.00 0.00 H new ATOM 0 HB THR A 333 84.255 7.580 -6.526 1.00 0.00 H new ATOM 0 HG1 THR A 333 82.459 7.747 -4.990 1.00 0.00 H new ATOM 0 HG21 THR A 333 82.849 9.600 -6.280 1.00 0.00 H new ATOM 0 HG22 THR A 333 83.406 9.354 -7.952 1.00 0.00 H new ATOM 0 HG23 THR A 333 81.732 8.949 -7.502 1.00 0.00 H new ATOM 51 N HIS A 334 81.277 5.014 -8.103 1.00 0.00 N ATOM 52 CA HIS A 334 79.909 4.582 -8.366 1.00 0.00 C ATOM 53 C HIS A 334 78.930 5.276 -7.424 1.00 0.00 C ATOM 54 O HIS A 334 79.323 5.791 -6.377 1.00 0.00 O ATOM 55 CB HIS A 334 79.807 3.062 -8.230 1.00 0.00 C ATOM 56 CG HIS A 334 80.897 2.339 -8.961 1.00 0.00 C ATOM 57 ND1 HIS A 334 81.105 0.991 -8.802 1.00 0.00 N ATOM 58 CD2 HIS A 334 81.811 2.829 -9.834 1.00 0.00 C ATOM 59 CE1 HIS A 334 82.135 0.694 -9.577 1.00 0.00 C ATOM 60 NE2 HIS A 334 82.596 1.775 -10.221 1.00 0.00 N ATOM 0 H HIS A 334 81.893 4.277 -7.761 1.00 0.00 H new ATOM 0 HA HIS A 334 79.645 4.861 -9.386 1.00 0.00 H new ATOM 0 HB2 HIS A 334 79.843 2.793 -7.174 1.00 0.00 H new ATOM 0 HB3 HIS A 334 78.840 2.732 -8.610 1.00 0.00 H new ATOM 0 HD2 HIS A 334 81.903 3.854 -10.162 1.00 0.00 H new ATOM 0 HE1 HIS A 334 82.553 -0.297 -9.678 1.00 0.00 H new ATOM 0 HE2 HIS A 334 83.380 1.807 -10.873 1.00 0.00 H new ATOM 68 N ARG A 335 77.657 5.300 -7.807 1.00 0.00 N ATOM 69 CA ARG A 335 76.631 5.949 -6.999 1.00 0.00 C ATOM 70 C ARG A 335 75.939 4.956 -6.073 1.00 0.00 C ATOM 71 O ARG A 335 75.282 4.019 -6.525 1.00 0.00 O ATOM 72 CB ARG A 335 75.595 6.624 -7.900 1.00 0.00 C ATOM 73 CG ARG A 335 76.206 7.425 -9.039 1.00 0.00 C ATOM 74 CD ARG A 335 76.581 8.829 -8.594 1.00 0.00 C ATOM 75 NE ARG A 335 75.404 9.639 -8.288 1.00 0.00 N ATOM 76 CZ ARG A 335 75.455 10.932 -7.975 1.00 0.00 C ATOM 77 NH1 ARG A 335 76.620 11.565 -7.926 1.00 0.00 N ATOM 78 NH2 ARG A 335 74.336 11.594 -7.711 1.00 0.00 N ATOM 0 H ARG A 335 77.312 4.879 -8.670 1.00 0.00 H new ATOM 0 HA ARG A 335 77.123 6.702 -6.384 1.00 0.00 H new ATOM 0 HB2 ARG A 335 74.936 5.862 -8.316 1.00 0.00 H new ATOM 0 HB3 ARG A 335 74.975 7.285 -7.294 1.00 0.00 H new ATOM 0 HG2 ARG A 335 77.092 6.911 -9.412 1.00 0.00 H new ATOM 0 HG3 ARG A 335 75.498 7.481 -9.866 1.00 0.00 H new ATOM 0 HD2 ARG A 335 77.220 8.771 -7.713 1.00 0.00 H new ATOM 0 HD3 ARG A 335 77.162 9.315 -9.378 1.00 0.00 H new ATOM 0 HE ARG A 335 74.490 9.187 -8.316 1.00 0.00 H new ATOM 0 HH11 ARG A 335 77.483 11.061 -8.129 1.00 0.00 H new ATOM 0 HH12 ARG A 335 76.652 12.556 -7.686 1.00 0.00 H new ATOM 0 HH21 ARG A 335 73.438 11.112 -7.748 1.00 0.00 H new ATOM 0 HH22 ARG A 335 74.374 12.585 -7.471 1.00 0.00 H new ATOM 92 N PHE A 336 76.092 5.176 -4.772 1.00 0.00 N ATOM 93 CA PHE A 336 75.499 4.332 -3.767 1.00 0.00 C ATOM 94 C PHE A 336 74.221 4.962 -3.216 1.00 0.00 C ATOM 95 O PHE A 336 74.096 6.185 -3.164 1.00 0.00 O ATOM 96 CB PHE A 336 76.509 4.152 -2.642 1.00 0.00 C ATOM 97 CG PHE A 336 77.167 2.805 -2.597 1.00 0.00 C ATOM 98 CD1 PHE A 336 76.439 1.675 -2.273 1.00 0.00 C ATOM 99 CD2 PHE A 336 78.520 2.672 -2.867 1.00 0.00 C ATOM 100 CE1 PHE A 336 77.044 0.434 -2.219 1.00 0.00 C ATOM 101 CE2 PHE A 336 79.132 1.434 -2.817 1.00 0.00 C ATOM 102 CZ PHE A 336 78.393 0.314 -2.492 1.00 0.00 C ATOM 0 H PHE A 336 76.636 5.952 -4.393 1.00 0.00 H new ATOM 0 HA PHE A 336 75.238 3.369 -4.206 1.00 0.00 H new ATOM 0 HB2 PHE A 336 77.281 4.915 -2.741 1.00 0.00 H new ATOM 0 HB3 PHE A 336 76.007 4.328 -1.691 1.00 0.00 H new ATOM 0 HD1 PHE A 336 75.384 1.764 -2.059 1.00 0.00 H new ATOM 0 HD2 PHE A 336 79.103 3.546 -3.119 1.00 0.00 H new ATOM 0 HE1 PHE A 336 76.464 -0.440 -1.964 1.00 0.00 H new ATOM 0 HE2 PHE A 336 80.186 1.343 -3.032 1.00 0.00 H new ATOM 0 HZ PHE A 336 78.869 -0.655 -2.451 1.00 0.00 H new ATOM 112 N SER A 337 73.286 4.124 -2.787 1.00 0.00 N ATOM 113 CA SER A 337 72.030 4.610 -2.217 1.00 0.00 C ATOM 114 C SER A 337 71.867 4.094 -0.791 1.00 0.00 C ATOM 115 O SER A 337 71.993 2.897 -0.548 1.00 0.00 O ATOM 116 CB SER A 337 70.846 4.162 -3.077 1.00 0.00 C ATOM 117 OG SER A 337 69.642 4.771 -2.643 1.00 0.00 O ATOM 0 H SER A 337 73.370 3.108 -2.821 1.00 0.00 H new ATOM 0 HA SER A 337 72.054 5.700 -2.198 1.00 0.00 H new ATOM 0 HB2 SER A 337 71.032 4.419 -4.120 1.00 0.00 H new ATOM 0 HB3 SER A 337 70.747 3.078 -3.029 1.00 0.00 H new ATOM 0 HG SER A 337 68.901 4.470 -3.209 1.00 0.00 H new ATOM 123 N THR A 338 71.597 5.000 0.151 1.00 0.00 N ATOM 124 CA THR A 338 71.438 4.613 1.553 1.00 0.00 C ATOM 125 C THR A 338 69.988 4.694 2.020 1.00 0.00 C ATOM 126 O THR A 338 69.231 5.577 1.618 1.00 0.00 O ATOM 127 CB THR A 338 72.310 5.481 2.463 1.00 0.00 C ATOM 128 OG1 THR A 338 73.601 5.656 1.908 1.00 0.00 O ATOM 129 CG2 THR A 338 72.479 4.899 3.855 1.00 0.00 C ATOM 0 H THR A 338 71.485 5.998 -0.029 1.00 0.00 H new ATOM 0 HA THR A 338 71.758 3.573 1.621 1.00 0.00 H new ATOM 0 HB THR A 338 71.788 6.434 2.543 1.00 0.00 H new ATOM 0 HG1 THR A 338 74.263 5.707 2.629 1.00 0.00 H new ATOM 0 HG21 THR A 338 73.107 5.560 4.452 1.00 0.00 H new ATOM 0 HG22 THR A 338 71.502 4.800 4.329 1.00 0.00 H new ATOM 0 HG23 THR A 338 72.949 3.918 3.785 1.00 0.00 H new ATOM 137 N LYS A 339 69.630 3.757 2.888 1.00 0.00 N ATOM 138 CA LYS A 339 68.297 3.674 3.458 1.00 0.00 C ATOM 139 C LYS A 339 68.374 3.067 4.856 1.00 0.00 C ATOM 140 O LYS A 339 69.300 2.304 5.161 1.00 0.00 O ATOM 141 CB LYS A 339 67.382 2.832 2.567 1.00 0.00 C ATOM 142 CG LYS A 339 66.841 3.588 1.364 1.00 0.00 C ATOM 143 CD LYS A 339 66.212 2.646 0.351 1.00 0.00 C ATOM 144 CE LYS A 339 67.268 1.899 -0.446 1.00 0.00 C ATOM 145 NZ LYS A 339 66.773 0.579 -0.925 1.00 0.00 N ATOM 0 H LYS A 339 70.264 3.029 3.217 1.00 0.00 H new ATOM 0 HA LYS A 339 67.879 4.679 3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 339 67.932 1.958 2.219 1.00 0.00 H new ATOM 0 HB3 LYS A 339 66.545 2.466 3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 339 66.100 4.317 1.694 1.00 0.00 H new ATOM 0 HG3 LYS A 339 67.649 4.146 0.891 1.00 0.00 H new ATOM 0 HD2 LYS A 339 65.571 1.931 0.867 1.00 0.00 H new ATOM 0 HD3 LYS A 339 65.576 3.213 -0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 339 67.573 2.504 -1.300 1.00 0.00 H new ATOM 0 HE3 LYS A 339 68.153 1.752 0.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 67.523 0.102 -1.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 66.505 -0.008 -0.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 65.944 0.720 -1.537 1.00 0.00 H new ATOM 159 N SER A 340 67.408 3.411 5.702 1.00 0.00 N ATOM 160 CA SER A 340 67.371 2.904 7.068 1.00 0.00 C ATOM 161 C SER A 340 66.428 1.709 7.183 1.00 0.00 C ATOM 162 O SER A 340 66.054 1.104 6.178 1.00 0.00 O ATOM 163 CB SER A 340 66.936 4.013 8.029 1.00 0.00 C ATOM 164 OG SER A 340 67.013 3.581 9.377 1.00 0.00 O ATOM 0 H SER A 340 66.640 4.039 5.465 1.00 0.00 H new ATOM 0 HA SER A 340 68.374 2.573 7.336 1.00 0.00 H new ATOM 0 HB2 SER A 340 67.569 4.889 7.888 1.00 0.00 H new ATOM 0 HB3 SER A 340 65.915 4.317 7.799 1.00 0.00 H new ATOM 0 HG SER A 340 67.795 3.001 9.491 1.00 0.00 H new ATOM 170 N TRP A 341 66.049 1.374 8.414 1.00 0.00 N ATOM 171 CA TRP A 341 65.150 0.252 8.663 1.00 0.00 C ATOM 172 C TRP A 341 65.788 -1.065 8.233 1.00 0.00 C ATOM 173 O TRP A 341 65.948 -1.329 7.041 1.00 0.00 O ATOM 174 CB TRP A 341 63.823 0.455 7.930 1.00 0.00 C ATOM 175 CG TRP A 341 63.027 1.613 8.450 1.00 0.00 C ATOM 176 CD1 TRP A 341 63.499 2.852 8.773 1.00 0.00 C ATOM 177 CD2 TRP A 341 61.619 1.638 8.711 1.00 0.00 C ATOM 178 NE1 TRP A 341 62.471 3.648 9.217 1.00 0.00 N ATOM 179 CE2 TRP A 341 61.307 2.925 9.188 1.00 0.00 C ATOM 180 CE3 TRP A 341 60.592 0.698 8.586 1.00 0.00 C ATOM 181 CZ2 TRP A 341 60.011 3.295 9.541 1.00 0.00 C ATOM 182 CZ3 TRP A 341 59.306 1.066 8.936 1.00 0.00 C ATOM 183 CH2 TRP A 341 59.026 2.355 9.408 1.00 0.00 C ATOM 0 H TRP A 341 66.352 1.865 9.255 1.00 0.00 H new ATOM 0 HA TRP A 341 64.958 0.208 9.735 1.00 0.00 H new ATOM 0 HB2 TRP A 341 64.022 0.608 6.869 1.00 0.00 H new ATOM 0 HB3 TRP A 341 63.227 -0.454 8.015 1.00 0.00 H new ATOM 0 HD1 TRP A 341 64.530 3.162 8.691 1.00 0.00 H new ATOM 0 HE1 TRP A 341 62.560 4.618 9.519 1.00 0.00 H new ATOM 0 HE3 TRP A 341 60.799 -0.298 8.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 341 59.792 4.287 9.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 341 58.504 0.348 8.844 1.00 0.00 H new ATOM 0 HH2 TRP A 341 58.011 2.612 9.672 1.00 0.00 H new ATOM 194 N LEU A 342 66.147 -1.888 9.214 1.00 0.00 N ATOM 195 CA LEU A 342 66.767 -3.182 8.946 1.00 0.00 C ATOM 196 C LEU A 342 68.110 -3.014 8.239 1.00 0.00 C ATOM 197 O LEU A 342 69.165 -3.087 8.868 1.00 0.00 O ATOM 198 CB LEU A 342 65.831 -4.057 8.107 1.00 0.00 C ATOM 199 CG LEU A 342 66.419 -5.399 7.665 1.00 0.00 C ATOM 200 CD1 LEU A 342 66.613 -6.317 8.861 1.00 0.00 C ATOM 201 CD2 LEU A 342 65.524 -6.055 6.625 1.00 0.00 C ATOM 0 H LEU A 342 66.019 -1.681 10.205 1.00 0.00 H new ATOM 0 HA LEU A 342 66.948 -3.673 9.902 1.00 0.00 H new ATOM 0 HB2 LEU A 342 64.924 -4.247 8.682 1.00 0.00 H new ATOM 0 HB3 LEU A 342 65.535 -3.498 7.219 1.00 0.00 H new ATOM 0 HG LEU A 342 67.394 -5.216 7.213 1.00 0.00 H new ATOM 0 HD11 LEU A 342 67.032 -7.266 8.527 1.00 0.00 H new ATOM 0 HD12 LEU A 342 67.295 -5.850 9.572 1.00 0.00 H new ATOM 0 HD13 LEU A 342 65.652 -6.494 9.343 1.00 0.00 H new ATOM 0 HD21 LEU A 342 65.957 -7.008 6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 342 64.535 -6.225 7.051 1.00 0.00 H new ATOM 0 HD23 LEU A 342 65.438 -5.403 5.756 1.00 0.00 H new ATOM 213 N SER A 343 68.065 -2.793 6.927 1.00 0.00 N ATOM 214 CA SER A 343 69.279 -2.619 6.135 1.00 0.00 C ATOM 215 C SER A 343 70.286 -3.741 6.422 1.00 0.00 C ATOM 216 O SER A 343 70.047 -4.893 6.059 1.00 0.00 O ATOM 217 CB SER A 343 69.895 -1.242 6.407 1.00 0.00 C ATOM 218 OG SER A 343 69.103 -0.209 5.846 1.00 0.00 O ATOM 0 H SER A 343 67.200 -2.730 6.390 1.00 0.00 H new ATOM 0 HA SER A 343 69.015 -2.675 5.079 1.00 0.00 H new ATOM 0 HB2 SER A 343 69.990 -1.089 7.482 1.00 0.00 H new ATOM 0 HB3 SER A 343 70.901 -1.201 5.989 1.00 0.00 H new ATOM 0 HG SER A 343 69.641 0.605 5.760 1.00 0.00 H new ATOM 224 N GLN A 344 71.406 -3.411 7.074 1.00 0.00 N ATOM 225 CA GLN A 344 72.428 -4.405 7.400 1.00 0.00 C ATOM 226 C GLN A 344 73.724 -3.731 7.846 1.00 0.00 C ATOM 227 O GLN A 344 73.849 -2.508 7.800 1.00 0.00 O ATOM 228 CB GLN A 344 72.707 -5.313 6.196 1.00 0.00 C ATOM 229 CG GLN A 344 72.137 -6.713 6.347 1.00 0.00 C ATOM 230 CD GLN A 344 73.063 -7.641 7.110 1.00 0.00 C ATOM 231 OE1 GLN A 344 73.776 -8.450 6.516 1.00 0.00 O ATOM 232 NE2 GLN A 344 73.056 -7.528 8.433 1.00 0.00 N ATOM 0 H GLN A 344 71.625 -2.465 7.385 1.00 0.00 H new ATOM 0 HA GLN A 344 72.047 -5.012 8.222 1.00 0.00 H new ATOM 0 HB2 GLN A 344 72.289 -4.854 5.300 1.00 0.00 H new ATOM 0 HB3 GLN A 344 73.784 -5.382 6.045 1.00 0.00 H new ATOM 0 HG2 GLN A 344 71.179 -6.657 6.863 1.00 0.00 H new ATOM 0 HG3 GLN A 344 71.943 -7.131 5.359 1.00 0.00 H new ATOM 0 HE21 GLN A 344 72.449 -6.843 8.883 1.00 0.00 H new ATOM 0 HE22 GLN A 344 73.658 -8.126 8.999 1.00 0.00 H new ATOM 241 N VAL A 345 74.686 -4.544 8.271 1.00 0.00 N ATOM 242 CA VAL A 345 75.979 -4.040 8.719 1.00 0.00 C ATOM 243 C VAL A 345 76.943 -3.905 7.541 1.00 0.00 C ATOM 244 O VAL A 345 76.954 -4.742 6.639 1.00 0.00 O ATOM 245 CB VAL A 345 76.604 -4.968 9.780 1.00 0.00 C ATOM 246 CG1 VAL A 345 77.955 -4.436 10.236 1.00 0.00 C ATOM 247 CG2 VAL A 345 75.664 -5.132 10.965 1.00 0.00 C ATOM 0 H VAL A 345 74.593 -5.559 8.314 1.00 0.00 H new ATOM 0 HA VAL A 345 75.808 -3.060 9.164 1.00 0.00 H new ATOM 0 HB VAL A 345 76.761 -5.947 9.327 1.00 0.00 H new ATOM 0 HG11 VAL A 345 78.377 -5.107 10.984 1.00 0.00 H new ATOM 0 HG12 VAL A 345 78.629 -4.376 9.382 1.00 0.00 H new ATOM 0 HG13 VAL A 345 77.828 -3.444 10.669 1.00 0.00 H new ATOM 0 HG21 VAL A 345 76.121 -5.790 11.704 1.00 0.00 H new ATOM 0 HG22 VAL A 345 75.473 -4.158 11.415 1.00 0.00 H new ATOM 0 HG23 VAL A 345 74.723 -5.566 10.626 1.00 0.00 H new ATOM 257 N CYS A 346 77.751 -2.847 7.557 1.00 0.00 N ATOM 258 CA CYS A 346 78.722 -2.599 6.490 1.00 0.00 C ATOM 259 C CYS A 346 79.486 -3.873 6.132 1.00 0.00 C ATOM 260 O CYS A 346 79.719 -4.729 6.984 1.00 0.00 O ATOM 261 CB CYS A 346 79.699 -1.503 6.918 1.00 0.00 C ATOM 262 SG CYS A 346 80.833 -0.957 5.597 1.00 0.00 S ATOM 0 H CYS A 346 77.753 -2.146 8.298 1.00 0.00 H new ATOM 0 HA CYS A 346 78.178 -2.271 5.604 1.00 0.00 H new ATOM 0 HB2 CYS A 346 79.131 -0.643 7.272 1.00 0.00 H new ATOM 0 HB3 CYS A 346 80.288 -1.865 7.761 1.00 0.00 H new ATOM 267 N ASN A 347 79.864 -3.994 4.863 1.00 0.00 N ATOM 268 CA ASN A 347 80.593 -5.167 4.392 1.00 0.00 C ATOM 269 C ASN A 347 82.100 -4.930 4.428 1.00 0.00 C ATOM 270 O ASN A 347 82.881 -5.868 4.590 1.00 0.00 O ATOM 271 CB ASN A 347 80.157 -5.526 2.970 1.00 0.00 C ATOM 272 CG ASN A 347 79.002 -6.508 2.950 1.00 0.00 C ATOM 273 OD1 ASN A 347 78.196 -6.555 3.879 1.00 0.00 O ATOM 274 ND2 ASN A 347 78.918 -7.301 1.888 1.00 0.00 N ATOM 0 H ASN A 347 79.678 -3.295 4.143 1.00 0.00 H new ATOM 0 HA ASN A 347 80.361 -5.997 5.060 1.00 0.00 H new ATOM 0 HB2 ASN A 347 79.867 -4.618 2.442 1.00 0.00 H new ATOM 0 HB3 ASN A 347 81.003 -5.953 2.430 1.00 0.00 H new ATOM 0 HD21 ASN A 347 78.163 -7.983 1.820 1.00 0.00 H new ATOM 0 HD22 ASN A 347 79.608 -7.228 1.141 1.00 0.00 H new ATOM 281 N VAL A 348 82.503 -3.674 4.273 1.00 0.00 N ATOM 282 CA VAL A 348 83.917 -3.319 4.284 1.00 0.00 C ATOM 283 C VAL A 348 84.503 -3.416 5.689 1.00 0.00 C ATOM 284 O VAL A 348 85.308 -4.303 5.975 1.00 0.00 O ATOM 285 CB VAL A 348 84.143 -1.896 3.743 1.00 0.00 C ATOM 286 CG1 VAL A 348 85.627 -1.624 3.558 1.00 0.00 C ATOM 287 CG2 VAL A 348 83.389 -1.697 2.437 1.00 0.00 C ATOM 0 H VAL A 348 81.871 -2.885 4.138 1.00 0.00 H new ATOM 0 HA VAL A 348 84.424 -4.033 3.635 1.00 0.00 H new ATOM 0 HB VAL A 348 83.756 -1.184 4.472 1.00 0.00 H new ATOM 0 HG11 VAL A 348 85.767 -0.613 3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 348 86.137 -1.723 4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 348 86.043 -2.341 2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 348 83.560 -0.685 2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 348 83.743 -2.417 1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 348 82.323 -1.846 2.606 1.00 0.00 H new ATOM 297 N CYS A 349 84.097 -2.500 6.561 1.00 0.00 N ATOM 298 CA CYS A 349 84.585 -2.484 7.935 1.00 0.00 C ATOM 299 C CYS A 349 83.732 -3.382 8.826 1.00 0.00 C ATOM 300 O CYS A 349 84.220 -3.942 9.807 1.00 0.00 O ATOM 301 CB CYS A 349 84.588 -1.054 8.478 1.00 0.00 C ATOM 302 SG CYS A 349 82.952 -0.252 8.469 1.00 0.00 S ATOM 0 H CYS A 349 83.431 -1.759 6.341 1.00 0.00 H new ATOM 0 HA CYS A 349 85.605 -2.868 7.939 1.00 0.00 H new ATOM 0 HB2 CYS A 349 84.970 -1.065 9.499 1.00 0.00 H new ATOM 0 HB3 CYS A 349 85.279 -0.453 7.886 1.00 0.00 H new ATOM 307 N GLN A 350 82.455 -3.517 8.470 1.00 0.00 N ATOM 308 CA GLN A 350 81.515 -4.349 9.222 1.00 0.00 C ATOM 309 C GLN A 350 81.656 -4.151 10.730 1.00 0.00 C ATOM 310 O GLN A 350 82.521 -4.749 11.369 1.00 0.00 O ATOM 311 CB GLN A 350 81.706 -5.828 8.868 1.00 0.00 C ATOM 312 CG GLN A 350 83.151 -6.297 8.932 1.00 0.00 C ATOM 313 CD GLN A 350 83.289 -7.788 8.696 1.00 0.00 C ATOM 314 OE1 GLN A 350 82.810 -8.601 9.487 1.00 0.00 O ATOM 315 NE2 GLN A 350 83.948 -8.156 7.603 1.00 0.00 N ATOM 0 H GLN A 350 82.044 -3.056 7.658 1.00 0.00 H new ATOM 0 HA GLN A 350 80.510 -4.037 8.938 1.00 0.00 H new ATOM 0 HB2 GLN A 350 81.107 -6.434 9.548 1.00 0.00 H new ATOM 0 HB3 GLN A 350 81.322 -6.003 7.863 1.00 0.00 H new ATOM 0 HG2 GLN A 350 83.737 -5.759 8.187 1.00 0.00 H new ATOM 0 HG3 GLN A 350 83.568 -6.047 9.908 1.00 0.00 H new ATOM 0 HE21 GLN A 350 84.329 -7.449 6.975 1.00 0.00 H new ATOM 0 HE22 GLN A 350 84.073 -9.146 7.392 1.00 0.00 H new ATOM 324 N LYS A 351 80.789 -3.315 11.293 1.00 0.00 N ATOM 325 CA LYS A 351 80.807 -3.044 12.726 1.00 0.00 C ATOM 326 C LYS A 351 79.384 -2.819 13.249 1.00 0.00 C ATOM 327 O LYS A 351 78.425 -3.352 12.692 1.00 0.00 O ATOM 328 CB LYS A 351 81.706 -1.840 13.027 1.00 0.00 C ATOM 329 CG LYS A 351 81.135 -0.514 12.559 1.00 0.00 C ATOM 330 CD LYS A 351 81.866 0.661 13.189 1.00 0.00 C ATOM 331 CE LYS A 351 81.282 1.017 14.546 1.00 0.00 C ATOM 332 NZ LYS A 351 82.001 2.157 15.179 1.00 0.00 N ATOM 0 H LYS A 351 80.065 -2.814 10.778 1.00 0.00 H new ATOM 0 HA LYS A 351 81.218 -3.911 13.243 1.00 0.00 H new ATOM 0 HB2 LYS A 351 81.882 -1.790 14.102 1.00 0.00 H new ATOM 0 HB3 LYS A 351 82.675 -1.995 12.553 1.00 0.00 H new ATOM 0 HG2 LYS A 351 81.207 -0.449 11.473 1.00 0.00 H new ATOM 0 HG3 LYS A 351 80.076 -0.463 12.812 1.00 0.00 H new ATOM 0 HD2 LYS A 351 82.923 0.417 13.299 1.00 0.00 H new ATOM 0 HD3 LYS A 351 81.806 1.525 12.528 1.00 0.00 H new ATOM 0 HE2 LYS A 351 80.228 1.271 14.432 1.00 0.00 H new ATOM 0 HE3 LYS A 351 81.331 0.148 15.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 81.572 2.368 16.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 83.002 1.906 15.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 81.932 2.994 14.566 1.00 0.00 H new ATOM 346 N SER A 352 79.248 -2.048 14.326 1.00 0.00 N ATOM 347 CA SER A 352 77.937 -1.786 14.914 1.00 0.00 C ATOM 348 C SER A 352 77.244 -0.590 14.260 1.00 0.00 C ATOM 349 O SER A 352 77.547 0.562 14.570 1.00 0.00 O ATOM 350 CB SER A 352 78.075 -1.544 16.418 1.00 0.00 C ATOM 351 OG SER A 352 78.961 -2.480 17.006 1.00 0.00 O ATOM 0 H SER A 352 80.026 -1.596 14.807 1.00 0.00 H new ATOM 0 HA SER A 352 77.319 -2.666 14.737 1.00 0.00 H new ATOM 0 HB2 SER A 352 78.440 -0.532 16.595 1.00 0.00 H new ATOM 0 HB3 SER A 352 77.096 -1.617 16.893 1.00 0.00 H new ATOM 0 HG SER A 352 79.033 -2.303 17.967 1.00 0.00 H new ATOM 357 N MET A 353 76.298 -0.877 13.369 1.00 0.00 N ATOM 358 CA MET A 353 75.539 0.166 12.683 1.00 0.00 C ATOM 359 C MET A 353 74.448 -0.450 11.817 1.00 0.00 C ATOM 360 O MET A 353 74.398 -1.668 11.645 1.00 0.00 O ATOM 361 CB MET A 353 76.450 1.052 11.823 1.00 0.00 C ATOM 362 CG MET A 353 77.651 0.337 11.227 1.00 0.00 C ATOM 363 SD MET A 353 79.115 1.389 11.166 1.00 0.00 S ATOM 364 CE MET A 353 78.402 2.947 10.643 1.00 0.00 C ATOM 0 H MET A 353 76.038 -1.827 13.104 1.00 0.00 H new ATOM 0 HA MET A 353 75.079 0.793 13.447 1.00 0.00 H new ATOM 0 HB2 MET A 353 75.859 1.479 11.013 1.00 0.00 H new ATOM 0 HB3 MET A 353 76.805 1.884 12.431 1.00 0.00 H new ATOM 0 HG2 MET A 353 77.870 -0.553 11.817 1.00 0.00 H new ATOM 0 HG3 MET A 353 77.407 -0.000 10.220 1.00 0.00 H new ATOM 0 HE1 MET A 353 79.111 3.477 10.007 1.00 0.00 H new ATOM 0 HE2 MET A 353 77.485 2.758 10.085 1.00 0.00 H new ATOM 0 HE3 MET A 353 78.175 3.555 11.518 1.00 0.00 H new ATOM 374 N ILE A 354 73.619 0.397 11.218 1.00 0.00 N ATOM 375 CA ILE A 354 72.606 -0.049 10.327 1.00 0.00 C ATOM 376 C ILE A 354 72.509 0.938 9.206 1.00 0.00 C ATOM 377 O ILE A 354 71.788 1.934 9.246 1.00 0.00 O ATOM 378 CB ILE A 354 71.242 -0.168 10.999 1.00 0.00 C ATOM 379 CG1 ILE A 354 71.263 -1.292 12.031 1.00 0.00 C ATOM 380 CG2 ILE A 354 70.147 -0.398 9.962 1.00 0.00 C ATOM 381 CD1 ILE A 354 71.509 -0.814 13.445 1.00 0.00 C ATOM 0 H ILE A 354 73.647 1.408 11.350 1.00 0.00 H new ATOM 0 HA ILE A 354 72.879 -1.043 9.973 1.00 0.00 H new ATOM 0 HB ILE A 354 71.022 0.768 11.513 1.00 0.00 H new ATOM 0 HG12 ILE A 354 70.312 -1.823 11.997 1.00 0.00 H new ATOM 0 HG13 ILE A 354 72.038 -2.009 11.759 1.00 0.00 H new ATOM 0 HG21 ILE A 354 69.183 -0.480 10.463 1.00 0.00 H new ATOM 0 HG22 ILE A 354 70.124 0.440 9.265 1.00 0.00 H new ATOM 0 HG23 ILE A 354 70.351 -1.319 9.415 1.00 0.00 H new ATOM 0 HD11 ILE A 354 71.510 -1.668 14.123 1.00 0.00 H new ATOM 0 HD12 ILE A 354 72.474 -0.309 13.496 1.00 0.00 H new ATOM 0 HD13 ILE A 354 70.721 -0.120 13.737 1.00 0.00 H new ATOM 393 N PHE A 355 73.227 0.591 8.223 1.00 0.00 N ATOM 394 CA PHE A 355 73.299 1.338 6.980 1.00 0.00 C ATOM 395 C PHE A 355 73.219 0.389 5.793 1.00 0.00 C ATOM 396 O PHE A 355 74.047 -0.513 5.660 1.00 0.00 O ATOM 397 CB PHE A 355 74.595 2.149 6.918 1.00 0.00 C ATOM 398 CG PHE A 355 74.525 3.451 7.664 1.00 0.00 C ATOM 399 CD1 PHE A 355 73.428 4.286 7.527 1.00 0.00 C ATOM 400 CD2 PHE A 355 75.558 3.840 8.502 1.00 0.00 C ATOM 401 CE1 PHE A 355 73.362 5.484 8.212 1.00 0.00 C ATOM 402 CE2 PHE A 355 75.498 5.037 9.190 1.00 0.00 C ATOM 403 CZ PHE A 355 74.398 5.860 9.045 1.00 0.00 C ATOM 0 H PHE A 355 73.812 -0.244 8.230 1.00 0.00 H new ATOM 0 HA PHE A 355 72.455 2.027 6.940 1.00 0.00 H new ATOM 0 HB2 PHE A 355 75.409 1.549 7.326 1.00 0.00 H new ATOM 0 HB3 PHE A 355 74.839 2.350 5.875 1.00 0.00 H new ATOM 0 HD1 PHE A 355 72.615 3.997 6.877 1.00 0.00 H new ATOM 0 HD2 PHE A 355 76.420 3.200 8.619 1.00 0.00 H new ATOM 0 HE1 PHE A 355 72.501 6.126 8.096 1.00 0.00 H new ATOM 0 HE2 PHE A 355 76.310 5.329 9.840 1.00 0.00 H new ATOM 0 HZ PHE A 355 74.348 6.796 9.582 1.00 0.00 H new ATOM 413 N GLY A 356 72.242 0.598 4.917 1.00 0.00 N ATOM 414 CA GLY A 356 72.124 -0.256 3.751 1.00 0.00 C ATOM 415 C GLY A 356 72.342 0.512 2.483 1.00 0.00 C ATOM 416 O GLY A 356 71.535 1.345 2.097 1.00 0.00 O ATOM 0 H GLY A 356 71.539 1.333 4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 356 72.851 -1.066 3.817 1.00 0.00 H new ATOM 0 HA3 GLY A 356 71.136 -0.716 3.734 1.00 0.00 H new ATOM 420 N VAL A 357 73.441 0.232 1.842 1.00 0.00 N ATOM 421 CA VAL A 357 73.786 0.916 0.607 1.00 0.00 C ATOM 422 C VAL A 357 74.146 -0.054 -0.501 1.00 0.00 C ATOM 423 O VAL A 357 74.807 -1.068 -0.271 1.00 0.00 O ATOM 424 CB VAL A 357 74.952 1.898 0.814 1.00 0.00 C ATOM 425 CG1 VAL A 357 74.508 3.083 1.656 1.00 0.00 C ATOM 426 CG2 VAL A 357 76.130 1.188 1.455 1.00 0.00 C ATOM 0 H VAL A 357 74.121 -0.465 2.147 1.00 0.00 H new ATOM 0 HA VAL A 357 72.896 1.470 0.309 1.00 0.00 H new ATOM 0 HB VAL A 357 75.268 2.275 -0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 357 75.346 3.767 1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 357 73.693 3.603 1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 357 74.166 2.730 2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 357 76.948 1.895 1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 357 75.829 0.784 2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 357 76.460 0.375 0.809 1.00 0.00 H new ATOM 436 N LYS A 358 73.709 0.273 -1.707 1.00 0.00 N ATOM 437 CA LYS A 358 73.983 -0.557 -2.866 1.00 0.00 C ATOM 438 C LYS A 358 74.396 0.296 -4.060 1.00 0.00 C ATOM 439 O LYS A 358 73.694 1.236 -4.437 1.00 0.00 O ATOM 440 CB LYS A 358 72.752 -1.392 -3.223 1.00 0.00 C ATOM 441 CG LYS A 358 73.086 -2.692 -3.937 1.00 0.00 C ATOM 442 CD LYS A 358 71.845 -3.545 -4.150 1.00 0.00 C ATOM 443 CE LYS A 358 70.917 -2.929 -5.185 1.00 0.00 C ATOM 444 NZ LYS A 358 69.484 -3.115 -4.826 1.00 0.00 N ATOM 0 H LYS A 358 73.162 1.110 -1.907 1.00 0.00 H new ATOM 0 HA LYS A 358 74.807 -1.225 -2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 358 72.200 -1.619 -2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 358 72.092 -0.799 -3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 358 73.547 -2.472 -4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 358 73.818 -3.251 -3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 358 72.140 -4.544 -4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 358 71.314 -3.659 -3.205 1.00 0.00 H new ATOM 0 HE2 LYS A 358 71.133 -1.865 -5.278 1.00 0.00 H new ATOM 0 HE3 LYS A 358 71.109 -3.380 -6.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 358 68.884 -2.681 -5.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 358 69.271 -4.131 -4.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 358 69.294 -2.663 -3.909 1.00 0.00 H new ATOM 458 N CYS A 359 75.530 -0.051 -4.659 1.00 0.00 N ATOM 459 CA CYS A 359 76.029 0.659 -5.825 1.00 0.00 C ATOM 460 C CYS A 359 75.659 -0.119 -7.073 1.00 0.00 C ATOM 461 O CYS A 359 75.870 -1.333 -7.134 1.00 0.00 O ATOM 462 CB CYS A 359 77.551 0.844 -5.748 1.00 0.00 C ATOM 463 SG CYS A 359 78.526 -0.659 -6.098 1.00 0.00 S ATOM 0 H CYS A 359 76.121 -0.824 -4.353 1.00 0.00 H new ATOM 0 HA CYS A 359 75.575 1.649 -5.858 1.00 0.00 H new ATOM 0 HB2 CYS A 359 77.844 1.622 -6.453 1.00 0.00 H new ATOM 0 HB3 CYS A 359 77.809 1.203 -4.752 1.00 0.00 H new ATOM 468 N LYS A 360 75.111 0.573 -8.063 1.00 0.00 N ATOM 469 CA LYS A 360 74.723 -0.041 -9.278 1.00 0.00 C ATOM 470 C LYS A 360 75.940 -0.341 -10.119 1.00 0.00 C ATOM 471 O LYS A 360 77.079 -0.258 -9.658 1.00 0.00 O ATOM 472 CB LYS A 360 73.763 0.891 -10.013 1.00 0.00 C ATOM 473 CG LYS A 360 72.309 0.452 -9.951 1.00 0.00 C ATOM 474 CD LYS A 360 71.857 0.222 -8.518 1.00 0.00 C ATOM 475 CE LYS A 360 71.913 1.504 -7.703 1.00 0.00 C ATOM 476 NZ LYS A 360 71.097 2.588 -8.316 1.00 0.00 N ATOM 0 H LYS A 360 74.932 1.576 -8.024 1.00 0.00 H new ATOM 0 HA LYS A 360 74.218 -0.986 -9.076 1.00 0.00 H new ATOM 0 HB2 LYS A 360 73.848 1.892 -9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 360 74.067 0.960 -11.057 1.00 0.00 H new ATOM 0 HG2 LYS A 360 71.679 1.211 -10.415 1.00 0.00 H new ATOM 0 HG3 LYS A 360 72.180 -0.465 -10.526 1.00 0.00 H new ATOM 0 HD2 LYS A 360 70.839 -0.168 -8.515 1.00 0.00 H new ATOM 0 HD3 LYS A 360 72.490 -0.534 -8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 360 71.555 1.308 -6.692 1.00 0.00 H new ATOM 0 HE3 LYS A 360 72.948 1.834 -7.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 360 70.951 3.348 -7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 360 71.593 2.969 -9.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 360 70.175 2.205 -8.609 1.00 0.00 H new ATOM 490 N HIS A 361 75.677 -0.695 -11.345 1.00 0.00 N ATOM 491 CA HIS A 361 76.720 -1.034 -12.310 1.00 0.00 C ATOM 492 C HIS A 361 77.437 -2.333 -11.925 1.00 0.00 C ATOM 493 O HIS A 361 77.865 -3.093 -12.794 1.00 0.00 O ATOM 494 CB HIS A 361 77.735 0.106 -12.421 1.00 0.00 C ATOM 495 CG HIS A 361 77.103 1.458 -12.551 1.00 0.00 C ATOM 496 ND1 HIS A 361 77.337 2.486 -11.662 1.00 0.00 N ATOM 497 CD2 HIS A 361 76.242 1.949 -13.473 1.00 0.00 C ATOM 498 CE1 HIS A 361 76.646 3.550 -12.031 1.00 0.00 C ATOM 499 NE2 HIS A 361 75.974 3.250 -13.127 1.00 0.00 N ATOM 0 H HIS A 361 74.730 -0.761 -11.719 1.00 0.00 H new ATOM 0 HA HIS A 361 76.240 -1.183 -13.277 1.00 0.00 H new ATOM 0 HB2 HIS A 361 78.377 0.097 -11.540 1.00 0.00 H new ATOM 0 HB3 HIS A 361 78.376 -0.071 -13.285 1.00 0.00 H new ATOM 0 HD2 HIS A 361 75.841 1.416 -14.323 1.00 0.00 H new ATOM 0 HE1 HIS A 361 76.633 4.503 -11.523 1.00 0.00 H new ATOM 0 HE2 HIS A 361 75.356 3.883 -13.635 1.00 0.00 H new ATOM 508 N CYS A 362 77.578 -2.573 -10.623 1.00 0.00 N ATOM 509 CA CYS A 362 78.255 -3.766 -10.127 1.00 0.00 C ATOM 510 C CYS A 362 77.427 -4.469 -9.052 1.00 0.00 C ATOM 511 O CYS A 362 77.409 -5.697 -8.978 1.00 0.00 O ATOM 512 CB CYS A 362 79.626 -3.395 -9.549 1.00 0.00 C ATOM 513 SG CYS A 362 80.172 -1.692 -9.910 1.00 0.00 S ATOM 0 H CYS A 362 77.230 -1.953 -9.891 1.00 0.00 H new ATOM 0 HA CYS A 362 78.382 -4.447 -10.968 1.00 0.00 H new ATOM 0 HB2 CYS A 362 79.598 -3.531 -8.468 1.00 0.00 H new ATOM 0 HB3 CYS A 362 80.369 -4.090 -9.939 1.00 0.00 H new ATOM 518 N ARG A 363 76.757 -3.679 -8.210 1.00 0.00 N ATOM 519 CA ARG A 363 75.937 -4.214 -7.122 1.00 0.00 C ATOM 520 C ARG A 363 76.815 -4.638 -5.948 1.00 0.00 C ATOM 521 O ARG A 363 77.081 -5.824 -5.754 1.00 0.00 O ATOM 522 CB ARG A 363 75.088 -5.399 -7.598 1.00 0.00 C ATOM 523 CG ARG A 363 74.360 -5.142 -8.908 1.00 0.00 C ATOM 524 CD ARG A 363 73.414 -3.958 -8.796 1.00 0.00 C ATOM 525 NE ARG A 363 72.634 -3.764 -10.017 1.00 0.00 N ATOM 526 CZ ARG A 363 71.505 -3.061 -10.071 1.00 0.00 C ATOM 527 NH1 ARG A 363 71.020 -2.483 -8.979 1.00 0.00 N ATOM 528 NH2 ARG A 363 70.858 -2.936 -11.222 1.00 0.00 N ATOM 0 H ARG A 363 76.767 -2.660 -8.262 1.00 0.00 H new ATOM 0 HA ARG A 363 75.264 -3.422 -6.793 1.00 0.00 H new ATOM 0 HB2 ARG A 363 75.731 -6.271 -7.715 1.00 0.00 H new ATOM 0 HB3 ARG A 363 74.356 -5.643 -6.828 1.00 0.00 H new ATOM 0 HG2 ARG A 363 75.087 -4.955 -9.699 1.00 0.00 H new ATOM 0 HG3 ARG A 363 73.799 -6.032 -9.194 1.00 0.00 H new ATOM 0 HD2 ARG A 363 72.738 -4.112 -7.955 1.00 0.00 H new ATOM 0 HD3 ARG A 363 73.987 -3.055 -8.584 1.00 0.00 H new ATOM 0 HE ARG A 363 72.975 -4.192 -10.878 1.00 0.00 H new ATOM 0 HH11 ARG A 363 71.513 -2.576 -8.091 1.00 0.00 H new ATOM 0 HH12 ARG A 363 70.154 -1.946 -9.028 1.00 0.00 H new ATOM 0 HH21 ARG A 363 71.226 -3.378 -12.064 1.00 0.00 H new ATOM 0 HH22 ARG A 363 69.993 -2.398 -11.265 1.00 0.00 H new ATOM 542 N LEU A 364 77.268 -3.656 -5.171 1.00 0.00 N ATOM 543 CA LEU A 364 78.127 -3.927 -4.015 1.00 0.00 C ATOM 544 C LEU A 364 77.617 -3.204 -2.770 1.00 0.00 C ATOM 545 O LEU A 364 76.658 -2.442 -2.838 1.00 0.00 O ATOM 546 CB LEU A 364 79.564 -3.490 -4.312 1.00 0.00 C ATOM 547 CG LEU A 364 80.651 -4.446 -3.810 1.00 0.00 C ATOM 548 CD1 LEU A 364 80.389 -5.861 -4.305 1.00 0.00 C ATOM 549 CD2 LEU A 364 82.026 -3.971 -4.255 1.00 0.00 C ATOM 0 H LEU A 364 77.057 -2.669 -5.318 1.00 0.00 H new ATOM 0 HA LEU A 364 78.106 -5.000 -3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 364 79.676 -3.371 -5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 364 79.729 -2.510 -3.865 1.00 0.00 H new ATOM 0 HG LEU A 364 80.625 -4.453 -2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 364 81.171 -6.525 -3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 364 79.421 -6.202 -3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 364 80.386 -5.871 -5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 364 82.786 -4.662 -3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 364 82.063 -3.934 -5.344 1.00 0.00 H new ATOM 0 HD23 LEU A 364 82.216 -2.977 -3.851 1.00 0.00 H new ATOM 561 N LYS A 365 78.264 -3.441 -1.629 1.00 0.00 N ATOM 562 CA LYS A 365 77.858 -2.788 -0.388 1.00 0.00 C ATOM 563 C LYS A 365 79.060 -2.237 0.377 1.00 0.00 C ATOM 564 O LYS A 365 80.006 -2.964 0.681 1.00 0.00 O ATOM 565 CB LYS A 365 77.084 -3.763 0.498 1.00 0.00 C ATOM 566 CG LYS A 365 76.607 -3.153 1.806 1.00 0.00 C ATOM 567 CD LYS A 365 75.669 -4.091 2.549 1.00 0.00 C ATOM 568 CE LYS A 365 74.244 -3.979 2.031 1.00 0.00 C ATOM 569 NZ LYS A 365 73.496 -5.257 2.183 1.00 0.00 N ATOM 0 H LYS A 365 79.061 -4.072 -1.539 1.00 0.00 H new ATOM 0 HA LYS A 365 77.213 -1.951 -0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 365 76.222 -4.136 -0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 365 77.718 -4.622 0.718 1.00 0.00 H new ATOM 0 HG2 LYS A 365 77.466 -2.922 2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 365 76.097 -2.211 1.605 1.00 0.00 H new ATOM 0 HD2 LYS A 365 76.018 -5.118 2.439 1.00 0.00 H new ATOM 0 HD3 LYS A 365 75.689 -3.859 3.614 1.00 0.00 H new ATOM 0 HE2 LYS A 365 73.723 -3.187 2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 365 74.261 -3.691 0.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 72.529 -5.139 1.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 73.979 -6.007 1.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 73.457 -5.519 3.189 1.00 0.00 H new ATOM 583 N CYS A 366 78.998 -0.951 0.700 1.00 0.00 N ATOM 584 CA CYS A 366 80.057 -0.284 1.453 1.00 0.00 C ATOM 585 C CYS A 366 79.540 1.026 2.046 1.00 0.00 C ATOM 586 O CYS A 366 78.701 1.683 1.443 1.00 0.00 O ATOM 587 CB CYS A 366 81.281 -0.032 0.561 1.00 0.00 C ATOM 588 SG CYS A 366 81.187 1.461 -0.458 1.00 0.00 S ATOM 0 H CYS A 366 78.218 -0.343 0.450 1.00 0.00 H new ATOM 0 HA CYS A 366 80.364 -0.936 2.271 1.00 0.00 H new ATOM 0 HB2 CYS A 366 82.166 0.033 1.194 1.00 0.00 H new ATOM 0 HB3 CYS A 366 81.419 -0.893 -0.093 1.00 0.00 H new ATOM 0 HG CYS A 366 80.314 1.286 -1.405 1.00 0.00 H new ATOM 594 N HIS A 367 80.049 1.403 3.218 1.00 0.00 N ATOM 595 CA HIS A 367 79.632 2.645 3.882 1.00 0.00 C ATOM 596 C HIS A 367 79.684 3.838 2.930 1.00 0.00 C ATOM 597 O HIS A 367 80.560 4.694 3.051 1.00 0.00 O ATOM 598 CB HIS A 367 80.535 2.936 5.080 1.00 0.00 C ATOM 599 CG HIS A 367 80.056 2.341 6.363 1.00 0.00 C ATOM 600 ND1 HIS A 367 80.889 1.585 7.148 1.00 0.00 N ATOM 601 CD2 HIS A 367 78.842 2.430 6.956 1.00 0.00 C ATOM 602 CE1 HIS A 367 80.169 1.235 8.200 1.00 0.00 C ATOM 603 NE2 HIS A 367 78.921 1.723 8.127 1.00 0.00 N ATOM 0 H HIS A 367 80.751 0.869 3.730 1.00 0.00 H new ATOM 0 HA HIS A 367 78.603 2.502 4.212 1.00 0.00 H new ATOM 0 HB2 HIS A 367 81.535 2.558 4.868 1.00 0.00 H new ATOM 0 HB3 HIS A 367 80.621 4.016 5.202 1.00 0.00 H new ATOM 0 HD2 HIS A 367 77.978 2.957 6.579 1.00 0.00 H new ATOM 0 HE1 HIS A 367 80.539 0.632 9.016 1.00 0.00 H new ATOM 0 HE2 HIS A 367 78.176 1.593 8.811 1.00 0.00 H new ATOM 611 N ASN A 368 78.745 3.895 1.992 1.00 0.00 N ATOM 612 CA ASN A 368 78.690 4.984 1.025 1.00 0.00 C ATOM 613 C ASN A 368 79.950 5.013 0.162 1.00 0.00 C ATOM 614 O ASN A 368 79.894 4.763 -1.042 1.00 0.00 O ATOM 615 CB ASN A 368 78.514 6.324 1.743 1.00 0.00 C ATOM 616 CG ASN A 368 77.175 6.431 2.446 1.00 0.00 C ATOM 617 OD1 ASN A 368 76.153 5.975 1.933 1.00 0.00 O ATOM 618 ND2 ASN A 368 77.173 7.037 3.627 1.00 0.00 N ATOM 0 H ASN A 368 78.009 3.197 1.881 1.00 0.00 H new ATOM 0 HA ASN A 368 77.832 4.815 0.374 1.00 0.00 H new ATOM 0 HB2 ASN A 368 79.315 6.451 2.471 1.00 0.00 H new ATOM 0 HB3 ASN A 368 78.608 7.135 1.021 1.00 0.00 H new ATOM 0 HD21 ASN A 368 76.301 7.139 4.146 1.00 0.00 H new ATOM 0 HD22 ASN A 368 78.043 7.400 4.015 1.00 0.00 H new ATOM 625 N LYS A 369 81.085 5.321 0.785 1.00 0.00 N ATOM 626 CA LYS A 369 82.356 5.385 0.073 1.00 0.00 C ATOM 627 C LYS A 369 83.427 4.545 0.769 1.00 0.00 C ATOM 628 O LYS A 369 84.621 4.799 0.613 1.00 0.00 O ATOM 629 CB LYS A 369 82.832 6.837 -0.054 1.00 0.00 C ATOM 630 CG LYS A 369 82.343 7.748 1.062 1.00 0.00 C ATOM 631 CD LYS A 369 80.872 8.097 0.895 1.00 0.00 C ATOM 632 CE LYS A 369 80.686 9.535 0.437 1.00 0.00 C ATOM 633 NZ LYS A 369 80.899 9.683 -1.029 1.00 0.00 N ATOM 0 H LYS A 369 81.149 5.530 1.781 1.00 0.00 H new ATOM 0 HA LYS A 369 82.194 4.975 -0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 369 83.922 6.851 -0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 369 82.494 7.237 -1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 369 82.495 7.259 2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 369 82.936 8.663 1.072 1.00 0.00 H new ATOM 0 HD2 LYS A 369 80.417 7.422 0.170 1.00 0.00 H new ATOM 0 HD3 LYS A 369 80.352 7.946 1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 369 79.681 9.871 0.693 1.00 0.00 H new ATOM 0 HE3 LYS A 369 81.384 10.179 0.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 80.763 10.678 -1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 81.866 9.387 -1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 80.217 9.088 -1.541 1.00 0.00 H new ATOM 647 N CYS A 370 82.997 3.536 1.528 1.00 0.00 N ATOM 648 CA CYS A 370 83.931 2.655 2.233 1.00 0.00 C ATOM 649 C CYS A 370 84.750 1.804 1.258 1.00 0.00 C ATOM 650 O CYS A 370 85.533 0.951 1.675 1.00 0.00 O ATOM 651 CB CYS A 370 83.171 1.743 3.200 1.00 0.00 C ATOM 652 SG CYS A 370 83.937 1.577 4.850 1.00 0.00 S ATOM 0 H CYS A 370 82.013 3.309 1.670 1.00 0.00 H new ATOM 0 HA CYS A 370 84.620 3.287 2.792 1.00 0.00 H new ATOM 0 HB2 CYS A 370 82.158 2.127 3.321 1.00 0.00 H new ATOM 0 HB3 CYS A 370 83.085 0.753 2.753 1.00 0.00 H new ATOM 657 N THR A 371 84.567 2.042 -0.036 1.00 0.00 N ATOM 658 CA THR A 371 85.285 1.302 -1.069 1.00 0.00 C ATOM 659 C THR A 371 86.794 1.413 -0.879 1.00 0.00 C ATOM 660 O THR A 371 87.543 0.507 -1.245 1.00 0.00 O ATOM 661 CB THR A 371 84.894 1.816 -2.455 1.00 0.00 C ATOM 662 OG1 THR A 371 85.334 3.150 -2.637 1.00 0.00 O ATOM 663 CG2 THR A 371 83.402 1.786 -2.707 1.00 0.00 C ATOM 0 H THR A 371 83.923 2.746 -0.397 1.00 0.00 H new ATOM 0 HA THR A 371 85.008 0.251 -0.984 1.00 0.00 H new ATOM 0 HB THR A 371 85.378 1.140 -3.160 1.00 0.00 H new ATOM 0 HG1 THR A 371 85.076 3.461 -3.530 1.00 0.00 H new ATOM 0 HG21 THR A 371 83.194 2.164 -3.708 1.00 0.00 H new ATOM 0 HG22 THR A 371 83.039 0.761 -2.623 1.00 0.00 H new ATOM 0 HG23 THR A 371 82.896 2.411 -1.971 1.00 0.00 H new ATOM 671 N LYS A 372 87.238 2.530 -0.309 1.00 0.00 N ATOM 672 CA LYS A 372 88.661 2.752 -0.080 1.00 0.00 C ATOM 673 C LYS A 372 89.231 1.685 0.849 1.00 0.00 C ATOM 674 O LYS A 372 90.422 1.376 0.798 1.00 0.00 O ATOM 675 CB LYS A 372 88.892 4.142 0.518 1.00 0.00 C ATOM 676 CG LYS A 372 88.151 4.373 1.825 1.00 0.00 C ATOM 677 CD LYS A 372 87.676 5.812 1.949 1.00 0.00 C ATOM 678 CE LYS A 372 88.843 6.785 1.949 1.00 0.00 C ATOM 679 NZ LYS A 372 89.905 6.381 2.912 1.00 0.00 N ATOM 0 H LYS A 372 86.635 3.292 0.001 1.00 0.00 H new ATOM 0 HA LYS A 372 89.175 2.688 -1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 372 89.960 4.283 0.685 1.00 0.00 H new ATOM 0 HB3 LYS A 372 88.580 4.896 -0.205 1.00 0.00 H new ATOM 0 HG2 LYS A 372 87.296 3.700 1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 372 88.805 4.131 2.663 1.00 0.00 H new ATOM 0 HD2 LYS A 372 87.005 6.047 1.123 1.00 0.00 H new ATOM 0 HD3 LYS A 372 87.103 5.929 2.869 1.00 0.00 H new ATOM 0 HE2 LYS A 372 89.266 6.844 0.946 1.00 0.00 H new ATOM 0 HE3 LYS A 372 88.484 7.782 2.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 90.393 7.228 3.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 89.475 5.870 3.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 90.590 5.762 2.434 1.00 0.00 H new ATOM 693 N GLU A 373 88.372 1.116 1.688 1.00 0.00 N ATOM 694 CA GLU A 373 88.788 0.073 2.618 1.00 0.00 C ATOM 695 C GLU A 373 88.505 -1.308 2.034 1.00 0.00 C ATOM 696 O GLU A 373 89.168 -2.287 2.376 1.00 0.00 O ATOM 697 CB GLU A 373 88.065 0.234 3.957 1.00 0.00 C ATOM 698 CG GLU A 373 88.702 1.267 4.872 1.00 0.00 C ATOM 699 CD GLU A 373 90.148 0.948 5.194 1.00 0.00 C ATOM 700 OE1 GLU A 373 90.386 0.054 6.033 1.00 0.00 O ATOM 701 OE2 GLU A 373 91.043 1.591 4.606 1.00 0.00 O ATOM 0 H GLU A 373 87.383 1.360 1.743 1.00 0.00 H new ATOM 0 HA GLU A 373 89.861 0.169 2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 373 87.029 0.517 3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 373 88.045 -0.729 4.468 1.00 0.00 H new ATOM 0 HG2 GLU A 373 88.647 2.248 4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 373 88.132 1.326 5.799 1.00 0.00 H new ATOM 708 N ALA A 374 87.515 -1.376 1.147 1.00 0.00 N ATOM 709 CA ALA A 374 87.139 -2.631 0.507 1.00 0.00 C ATOM 710 C ALA A 374 87.804 -2.763 -0.862 1.00 0.00 C ATOM 711 O ALA A 374 88.505 -1.854 -1.307 1.00 0.00 O ATOM 712 CB ALA A 374 85.625 -2.714 0.376 1.00 0.00 C ATOM 0 H ALA A 374 86.958 -0.573 0.855 1.00 0.00 H new ATOM 0 HA ALA A 374 87.485 -3.456 1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 374 85.352 -3.654 -0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 374 85.171 -2.666 1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 374 85.266 -1.881 -0.229 1.00 0.00 H new ATOM 718 N PRO A 375 87.595 -3.898 -1.552 1.00 0.00 N ATOM 719 CA PRO A 375 88.181 -4.132 -2.871 1.00 0.00 C ATOM 720 C PRO A 375 87.394 -3.446 -3.982 1.00 0.00 C ATOM 721 O PRO A 375 86.259 -3.016 -3.776 1.00 0.00 O ATOM 722 CB PRO A 375 88.104 -5.649 -3.014 1.00 0.00 C ATOM 723 CG PRO A 375 86.901 -6.043 -2.226 1.00 0.00 C ATOM 724 CD PRO A 375 86.773 -5.042 -1.104 1.00 0.00 C ATOM 0 HA PRO A 375 89.191 -3.731 -2.954 1.00 0.00 H new ATOM 0 HB2 PRO A 375 88.007 -5.944 -4.059 1.00 0.00 H new ATOM 0 HB3 PRO A 375 89.004 -6.129 -2.630 1.00 0.00 H new ATOM 0 HG2 PRO A 375 86.009 -6.039 -2.853 1.00 0.00 H new ATOM 0 HG3 PRO A 375 87.009 -7.054 -1.833 1.00 0.00 H new ATOM 0 HD2 PRO A 375 85.735 -4.750 -0.946 1.00 0.00 H new ATOM 0 HD3 PRO A 375 87.137 -5.450 -0.161 1.00 0.00 H new ATOM 732 N ALA A 376 88.002 -3.345 -5.159 1.00 0.00 N ATOM 733 CA ALA A 376 87.356 -2.710 -6.303 1.00 0.00 C ATOM 734 C ALA A 376 85.985 -3.322 -6.570 1.00 0.00 C ATOM 735 O ALA A 376 85.798 -4.531 -6.433 1.00 0.00 O ATOM 736 CB ALA A 376 88.237 -2.826 -7.538 1.00 0.00 C ATOM 0 H ALA A 376 88.942 -3.695 -5.346 1.00 0.00 H new ATOM 0 HA ALA A 376 87.214 -1.655 -6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 376 87.743 -2.348 -8.384 1.00 0.00 H new ATOM 0 HB2 ALA A 376 89.192 -2.335 -7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 376 88.408 -3.878 -7.765 1.00 0.00 H new ATOM 742 N CYS A 377 85.028 -2.481 -6.950 1.00 0.00 N ATOM 743 CA CYS A 377 83.674 -2.944 -7.233 1.00 0.00 C ATOM 744 C CYS A 377 83.683 -4.045 -8.291 1.00 0.00 C ATOM 745 O CYS A 377 84.744 -4.467 -8.751 1.00 0.00 O ATOM 746 CB CYS A 377 82.798 -1.778 -7.699 1.00 0.00 C ATOM 747 SG CYS A 377 81.234 -1.609 -6.779 1.00 0.00 S ATOM 0 H CYS A 377 85.165 -1.477 -7.069 1.00 0.00 H new ATOM 0 HA CYS A 377 83.259 -3.354 -6.312 1.00 0.00 H new ATOM 0 HB2 CYS A 377 83.365 -0.852 -7.605 1.00 0.00 H new ATOM 0 HB3 CYS A 377 82.572 -1.907 -8.758 1.00 0.00 H new ATOM 752 N ARG A 378 82.492 -4.505 -8.669 1.00 0.00 N ATOM 753 CA ARG A 378 82.352 -5.559 -9.673 1.00 0.00 C ATOM 754 C ARG A 378 83.330 -6.704 -9.419 1.00 0.00 C ATOM 755 O ARG A 378 83.839 -6.804 -8.283 1.00 0.00 O ATOM 756 CB ARG A 378 82.564 -4.989 -11.079 1.00 0.00 C ATOM 757 CG ARG A 378 83.991 -4.541 -11.351 1.00 0.00 C ATOM 758 CD ARG A 378 84.220 -4.278 -12.831 1.00 0.00 C ATOM 759 NE ARG A 378 83.155 -3.466 -13.413 1.00 0.00 N ATOM 760 CZ ARG A 378 83.020 -2.159 -13.202 1.00 0.00 C ATOM 761 NH1 ARG A 378 83.879 -1.513 -12.424 1.00 0.00 N ATOM 762 NH2 ARG A 378 82.022 -1.495 -13.771 1.00 0.00 N ATOM 763 OXT ARG A 378 83.578 -7.489 -10.358 1.00 0.00 O ATOM 0 H ARG A 378 81.607 -4.163 -8.294 1.00 0.00 H new ATOM 0 HA ARG A 378 81.340 -5.956 -9.598 1.00 0.00 H new ATOM 0 HB2 ARG A 378 82.284 -5.745 -11.813 1.00 0.00 H new ATOM 0 HB3 ARG A 378 81.894 -4.142 -11.222 1.00 0.00 H new ATOM 0 HG2 ARG A 378 84.204 -3.636 -10.782 1.00 0.00 H new ATOM 0 HG3 ARG A 378 84.686 -5.306 -11.005 1.00 0.00 H new ATOM 0 HD2 ARG A 378 85.176 -3.773 -12.966 1.00 0.00 H new ATOM 0 HD3 ARG A 378 84.284 -5.228 -13.362 1.00 0.00 H new ATOM 0 HE ARG A 378 82.475 -3.928 -14.017 1.00 0.00 H new ATOM 0 HH11 ARG A 378 84.648 -2.018 -11.984 1.00 0.00 H new ATOM 0 HH12 ARG A 378 83.770 -0.511 -12.266 1.00 0.00 H new ATOM 0 HH21 ARG A 378 81.359 -1.986 -14.370 1.00 0.00 H new ATOM 0 HH22 ARG A 378 81.918 -0.493 -13.609 1.00 0.00 H new TER 777 ARG A 378 HETATM 778 ZN ZN A 1 79.781 -0.349 -8.046 1.00 0.00 ZN HETATM 779 ZN ZN A 2 82.441 0.551 6.359 1.00 0.00 ZN