USER MOD reduce.3.24.130724 H: found=0, std=0, add=331, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 327 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 Set 1.1: A 334 HIS : no HE2:sc= -4.92! C(o=-6.9!,f=-9.4!) USER MOD Set 1.2: A 362 CYS SG : rot 40:sc= -1.93 USER MOD Set 2.1: A 346 CYS SG : rot 168:sc= -2.04! USER MOD Set 2.2: A 349 CYS SG : rot -28:sc= -1.59 USER MOD Set 2.3: A 353 MET CE :methyl -116:sc= 0 (180deg=0) USER MOD Set 2.4: A 367 HIS : no HE2:sc= -8.9! C(o=-14!,f=-26!) USER MOD Set 2.5: A 370 CYS SG : rot -160:sc= -1.07 USER MOD Single : A 337 SER OG : rot 180:sc= 0 USER MOD Single : A 338 THR OG1 : 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 57:sc= 0.00514 USER MOD Single : A 344 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.54) USER MOD Single : A 347 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.8) USER MOD Single : A 350 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 351 LYS NZ :NH3+ 135:sc= -0.278 (180deg=-1.14!) USER MOD Single : A 352 SER OG : rot -65:sc= 0.375 USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 360 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 HIS : no HD1:sc= -0.181 X(o=-0.18,f=-0.37) USER MOD Single : A 365 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.289) USER MOD Single : A 366 CYS SG : rot -85:sc= 0.438 USER MOD Single : A 368 ASN : amide:sc= -0.0246 X(o=-0.025,f=-0.52) 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+ -167:sc= 0 (180deg=-0.103) USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 334 77.149 0.898 -11.055 1.00 0.00 N ATOM 52 CA HIS A 334 77.485 -0.398 -10.476 1.00 0.00 C ATOM 53 C HIS A 334 76.297 -0.959 -9.700 1.00 0.00 C ATOM 54 O HIS A 334 75.393 -0.218 -9.312 1.00 0.00 O ATOM 55 CB HIS A 334 78.711 -0.271 -9.565 1.00 0.00 C ATOM 56 CG HIS A 334 79.815 0.553 -10.160 1.00 0.00 C ATOM 57 ND1 HIS A 334 80.944 0.875 -9.442 1.00 0.00 N ATOM 58 CD2 HIS A 334 79.907 1.101 -11.397 1.00 0.00 C ATOM 59 CE1 HIS A 334 81.687 1.608 -10.253 1.00 0.00 C ATOM 60 NE2 HIS A 334 81.101 1.772 -11.447 1.00 0.00 N ATOM 0 HA HIS A 334 77.724 -1.089 -11.284 1.00 0.00 H new ATOM 0 HB2 HIS A 334 78.406 0.174 -8.618 1.00 0.00 H new ATOM 0 HB3 HIS A 334 79.092 -1.267 -9.341 1.00 0.00 H new ATOM 0 HD1 HIS A 334 81.162 0.604 -8.483 1.00 0.00 H new ATOM 0 HD2 HIS A 334 79.179 1.024 -12.191 1.00 0.00 H new ATOM 0 HE1 HIS A 334 82.648 2.023 -9.986 1.00 0.00 H new ATOM 68 N ARG A 335 76.293 -2.271 -9.485 1.00 0.00 N ATOM 69 CA ARG A 335 75.201 -2.921 -8.766 1.00 0.00 C ATOM 70 C ARG A 335 75.519 -3.058 -7.281 1.00 0.00 C ATOM 71 O ARG A 335 76.454 -3.759 -6.896 1.00 0.00 O ATOM 72 CB ARG A 335 74.919 -4.300 -9.366 1.00 0.00 C ATOM 73 CG ARG A 335 74.906 -4.314 -10.886 1.00 0.00 C ATOM 74 CD ARG A 335 73.909 -3.311 -11.444 1.00 0.00 C ATOM 75 NE ARG A 335 72.530 -3.683 -11.140 1.00 0.00 N ATOM 76 CZ ARG A 335 71.843 -4.601 -11.817 1.00 0.00 C ATOM 77 NH1 ARG A 335 72.403 -5.242 -12.836 1.00 0.00 N ATOM 78 NH2 ARG A 335 70.592 -4.878 -11.475 1.00 0.00 N ATOM 0 H ARG A 335 77.030 -2.903 -9.797 1.00 0.00 H new ATOM 0 HA ARG A 335 74.315 -2.295 -8.868 1.00 0.00 H new ATOM 0 HB2 ARG A 335 75.674 -5.002 -9.011 1.00 0.00 H new ATOM 0 HB3 ARG A 335 73.956 -4.656 -9.000 1.00 0.00 H new ATOM 0 HG2 ARG A 335 75.903 -4.085 -11.262 1.00 0.00 H new ATOM 0 HG3 ARG A 335 74.654 -5.314 -11.240 1.00 0.00 H new ATOM 0 HD2 ARG A 335 74.118 -2.324 -11.031 1.00 0.00 H new ATOM 0 HD3 ARG A 335 74.035 -3.237 -12.524 1.00 0.00 H new ATOM 0 HE ARG A 335 72.066 -3.212 -10.363 1.00 0.00 H new ATOM 0 HH11 ARG A 335 73.365 -5.032 -13.104 1.00 0.00 H new ATOM 0 HH12 ARG A 335 71.872 -5.944 -13.351 1.00 0.00 H new ATOM 0 HH21 ARG A 335 70.156 -4.388 -10.694 1.00 0.00 H new ATOM 0 HH22 ARG A 335 70.065 -5.581 -11.993 1.00 0.00 H new ATOM 92 N PHE A 336 74.729 -2.381 -6.453 1.00 0.00 N ATOM 93 CA PHE A 336 74.898 -2.406 -5.023 1.00 0.00 C ATOM 94 C PHE A 336 73.879 -3.347 -4.375 1.00 0.00 C ATOM 95 O PHE A 336 72.783 -3.540 -4.901 1.00 0.00 O ATOM 96 CB PHE A 336 74.694 -0.989 -4.506 1.00 0.00 C ATOM 97 CG PHE A 336 75.953 -0.270 -4.111 1.00 0.00 C ATOM 98 CD1 PHE A 336 76.876 -0.865 -3.269 1.00 0.00 C ATOM 99 CD2 PHE A 336 76.206 1.010 -4.578 1.00 0.00 C ATOM 100 CE1 PHE A 336 78.029 -0.198 -2.898 1.00 0.00 C ATOM 101 CE2 PHE A 336 77.357 1.683 -4.212 1.00 0.00 C ATOM 102 CZ PHE A 336 78.270 1.078 -3.371 1.00 0.00 C ATOM 0 H PHE A 336 73.952 -1.800 -6.768 1.00 0.00 H new ATOM 0 HA PHE A 336 75.895 -2.769 -4.773 1.00 0.00 H new ATOM 0 HB2 PHE A 336 74.187 -0.407 -5.276 1.00 0.00 H new ATOM 0 HB3 PHE A 336 74.028 -1.025 -3.644 1.00 0.00 H new ATOM 0 HD1 PHE A 336 76.694 -1.862 -2.897 1.00 0.00 H new ATOM 0 HD2 PHE A 336 75.495 1.488 -5.236 1.00 0.00 H new ATOM 0 HE1 PHE A 336 78.740 -0.674 -2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 336 77.542 2.680 -4.583 1.00 0.00 H new ATOM 0 HZ PHE A 336 79.170 1.601 -3.084 1.00 0.00 H new ATOM 112 N SER A 337 74.236 -3.921 -3.229 1.00 0.00 N ATOM 113 CA SER A 337 73.329 -4.829 -2.518 1.00 0.00 C ATOM 114 C SER A 337 73.384 -4.596 -1.007 1.00 0.00 C ATOM 115 O SER A 337 74.457 -4.593 -0.413 1.00 0.00 O ATOM 116 CB SER A 337 73.684 -6.284 -2.832 1.00 0.00 C ATOM 117 OG SER A 337 73.018 -7.174 -1.954 1.00 0.00 O ATOM 0 H SER A 337 75.137 -3.778 -2.773 1.00 0.00 H new ATOM 0 HA SER A 337 72.314 -4.623 -2.859 1.00 0.00 H new ATOM 0 HB2 SER A 337 73.412 -6.513 -3.862 1.00 0.00 H new ATOM 0 HB3 SER A 337 74.762 -6.425 -2.748 1.00 0.00 H new ATOM 0 HG SER A 337 73.261 -8.097 -2.177 1.00 0.00 H new ATOM 123 N THR A 338 72.221 -4.405 -0.384 1.00 0.00 N ATOM 124 CA THR A 338 72.167 -4.167 1.059 1.00 0.00 C ATOM 125 C THR A 338 72.357 -5.451 1.855 1.00 0.00 C ATOM 126 O THR A 338 71.881 -6.520 1.473 1.00 0.00 O ATOM 127 CB THR A 338 70.843 -3.512 1.463 1.00 0.00 C ATOM 128 OG1 THR A 338 70.663 -2.283 0.782 1.00 0.00 O ATOM 129 CG2 THR A 338 70.744 -3.232 2.955 1.00 0.00 C ATOM 0 H THR A 338 71.313 -4.410 -0.849 1.00 0.00 H new ATOM 0 HA THR A 338 72.989 -3.491 1.292 1.00 0.00 H new ATOM 0 HB THR A 338 70.069 -4.230 1.191 1.00 0.00 H new ATOM 0 HG1 THR A 338 69.811 -1.881 1.052 1.00 0.00 H new ATOM 0 HG21 THR A 338 69.783 -2.768 3.175 1.00 0.00 H new ATOM 0 HG22 THR A 338 70.830 -4.168 3.507 1.00 0.00 H new ATOM 0 HG23 THR A 338 71.548 -2.559 3.253 1.00 0.00 H new ATOM 137 N LYS A 339 73.052 -5.317 2.976 1.00 0.00 N ATOM 138 CA LYS A 339 73.322 -6.431 3.869 1.00 0.00 C ATOM 139 C LYS A 339 73.307 -5.945 5.314 1.00 0.00 C ATOM 140 O LYS A 339 73.810 -4.858 5.618 1.00 0.00 O ATOM 141 CB LYS A 339 74.675 -7.066 3.541 1.00 0.00 C ATOM 142 CG LYS A 339 74.746 -7.660 2.144 1.00 0.00 C ATOM 143 CD LYS A 339 74.007 -8.986 2.065 1.00 0.00 C ATOM 144 CE LYS A 339 74.955 -10.162 2.236 1.00 0.00 C ATOM 145 NZ LYS A 339 75.540 -10.597 0.938 1.00 0.00 N ATOM 0 H LYS A 339 73.445 -4.430 3.291 1.00 0.00 H new ATOM 0 HA LYS A 339 72.547 -7.186 3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 339 75.456 -6.313 3.646 1.00 0.00 H new ATOM 0 HB3 LYS A 339 74.886 -7.848 4.270 1.00 0.00 H new ATOM 0 HG2 LYS A 339 74.317 -6.960 1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 339 75.789 -7.806 1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 339 73.238 -9.022 2.837 1.00 0.00 H new ATOM 0 HD3 LYS A 339 73.498 -9.064 1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 339 75.757 -9.885 2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 339 74.421 -10.996 2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 76.180 -11.401 1.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 74.777 -10.885 0.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 76.072 -9.809 0.516 1.00 0.00 H new ATOM 159 N SER A 340 72.719 -6.747 6.197 1.00 0.00 N ATOM 160 CA SER A 340 72.629 -6.394 7.608 1.00 0.00 C ATOM 161 C SER A 340 72.437 -7.638 8.471 1.00 0.00 C ATOM 162 O SER A 340 71.349 -7.881 8.995 1.00 0.00 O ATOM 163 CB SER A 340 71.473 -5.418 7.834 1.00 0.00 C ATOM 164 OG SER A 340 70.318 -5.821 7.117 1.00 0.00 O ATOM 0 H SER A 340 72.298 -7.645 5.959 1.00 0.00 H new ATOM 0 HA SER A 340 73.564 -5.916 7.899 1.00 0.00 H new ATOM 0 HB2 SER A 340 71.243 -5.362 8.898 1.00 0.00 H new ATOM 0 HB3 SER A 340 71.770 -4.418 7.519 1.00 0.00 H new ATOM 0 HG SER A 340 70.070 -6.731 7.382 1.00 0.00 H new ATOM 224 N GLN A 344 79.509 -5.169 9.561 1.00 0.00 N ATOM 225 CA GLN A 344 80.226 -4.186 10.368 1.00 0.00 C ATOM 226 C GLN A 344 79.583 -2.807 10.249 1.00 0.00 C ATOM 227 O GLN A 344 78.527 -2.652 9.635 1.00 0.00 O ATOM 228 CB GLN A 344 81.697 -4.111 9.942 1.00 0.00 C ATOM 229 CG GLN A 344 82.672 -4.234 11.102 1.00 0.00 C ATOM 230 CD GLN A 344 82.530 -5.547 11.846 1.00 0.00 C ATOM 231 OE1 GLN A 344 81.837 -5.627 12.861 1.00 0.00 O ATOM 232 NE2 GLN A 344 83.188 -6.586 11.345 1.00 0.00 N ATOM 0 HA GLN A 344 80.172 -4.506 11.409 1.00 0.00 H new ATOM 0 HB2 GLN A 344 81.899 -4.904 9.222 1.00 0.00 H new ATOM 0 HB3 GLN A 344 81.871 -3.164 9.430 1.00 0.00 H new ATOM 0 HG2 GLN A 344 83.691 -4.142 10.727 1.00 0.00 H new ATOM 0 HG3 GLN A 344 82.512 -3.408 11.796 1.00 0.00 H new ATOM 0 HE21 GLN A 344 83.751 -6.475 10.502 1.00 0.00 H new ATOM 0 HE22 GLN A 344 83.131 -7.495 11.804 1.00 0.00 H new ATOM 241 N VAL A 345 80.231 -1.811 10.841 1.00 0.00 N ATOM 242 CA VAL A 345 79.735 -0.440 10.806 1.00 0.00 C ATOM 243 C VAL A 345 80.031 0.214 9.457 1.00 0.00 C ATOM 244 O VAL A 345 81.086 -0.019 8.867 1.00 0.00 O ATOM 245 CB VAL A 345 80.362 0.406 11.933 1.00 0.00 C ATOM 246 CG1 VAL A 345 81.862 0.560 11.723 1.00 0.00 C ATOM 247 CG2 VAL A 345 79.685 1.765 12.025 1.00 0.00 C ATOM 0 H VAL A 345 81.105 -1.928 11.353 1.00 0.00 H new ATOM 0 HA VAL A 345 78.656 -0.482 10.953 1.00 0.00 H new ATOM 0 HB VAL A 345 80.206 -0.115 12.877 1.00 0.00 H new ATOM 0 HG11 VAL A 345 82.283 1.160 12.530 1.00 0.00 H new ATOM 0 HG12 VAL A 345 82.332 -0.424 11.720 1.00 0.00 H new ATOM 0 HG13 VAL A 345 82.047 1.054 10.769 1.00 0.00 H new ATOM 0 HG21 VAL A 345 80.142 2.346 12.826 1.00 0.00 H new ATOM 0 HG22 VAL A 345 79.803 2.295 11.080 1.00 0.00 H new ATOM 0 HG23 VAL A 345 78.624 1.629 12.235 1.00 0.00 H new ATOM 257 N CYS A 346 79.090 1.030 8.978 1.00 0.00 N ATOM 258 CA CYS A 346 79.231 1.731 7.696 1.00 0.00 C ATOM 259 C CYS A 346 80.688 2.108 7.413 1.00 0.00 C ATOM 260 O CYS A 346 81.443 2.434 8.330 1.00 0.00 O ATOM 261 CB CYS A 346 78.351 2.985 7.696 1.00 0.00 C ATOM 262 SG CYS A 346 78.500 4.007 6.192 1.00 0.00 S ATOM 0 H CYS A 346 78.214 1.224 9.462 1.00 0.00 H new ATOM 0 HA CYS A 346 78.908 1.056 6.904 1.00 0.00 H new ATOM 0 HB2 CYS A 346 77.310 2.684 7.815 1.00 0.00 H new ATOM 0 HB3 CYS A 346 78.608 3.595 8.562 1.00 0.00 H new ATOM 0 HG CYS A 346 77.547 4.892 6.172 1.00 0.00 H new ATOM 267 N ASN A 347 81.076 2.052 6.140 1.00 0.00 N ATOM 268 CA ASN A 347 82.444 2.378 5.738 1.00 0.00 C ATOM 269 C ASN A 347 82.585 3.850 5.356 1.00 0.00 C ATOM 270 O ASN A 347 83.441 4.212 4.550 1.00 0.00 O ATOM 271 CB ASN A 347 82.877 1.504 4.561 1.00 0.00 C ATOM 272 CG ASN A 347 83.751 0.342 4.991 1.00 0.00 C ATOM 273 OD1 ASN A 347 83.368 -0.820 4.862 1.00 0.00 O ATOM 274 ND2 ASN A 347 84.935 0.653 5.508 1.00 0.00 N ATOM 0 H ASN A 347 80.463 1.784 5.370 1.00 0.00 H new ATOM 0 HA ASN A 347 83.088 2.183 6.596 1.00 0.00 H new ATOM 0 HB2 ASN A 347 81.992 1.120 4.053 1.00 0.00 H new ATOM 0 HB3 ASN A 347 83.419 2.115 3.839 1.00 0.00 H new ATOM 0 HD21 ASN A 347 85.567 -0.086 5.816 1.00 0.00 H new ATOM 0 HD22 ASN A 347 85.212 1.631 5.596 1.00 0.00 H new ATOM 281 N VAL A 348 81.745 4.692 5.937 1.00 0.00 N ATOM 282 CA VAL A 348 81.780 6.122 5.653 1.00 0.00 C ATOM 283 C VAL A 348 81.622 6.946 6.929 1.00 0.00 C ATOM 284 O VAL A 348 82.592 7.510 7.436 1.00 0.00 O ATOM 285 CB VAL A 348 80.684 6.522 4.647 1.00 0.00 C ATOM 286 CG1 VAL A 348 80.827 7.983 4.250 1.00 0.00 C ATOM 287 CG2 VAL A 348 80.735 5.621 3.422 1.00 0.00 C ATOM 0 H VAL A 348 81.030 4.412 6.608 1.00 0.00 H new ATOM 0 HA VAL A 348 82.755 6.333 5.214 1.00 0.00 H new ATOM 0 HB VAL A 348 79.713 6.396 5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 348 80.043 8.245 3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 348 80.738 8.611 5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 348 81.802 8.141 3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 348 79.955 5.916 2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 348 81.709 5.715 2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 348 80.578 4.586 3.725 1.00 0.00 H new ATOM 297 N CYS A 349 80.398 7.014 7.444 1.00 0.00 N ATOM 298 CA CYS A 349 80.123 7.772 8.660 1.00 0.00 C ATOM 299 C CYS A 349 80.273 6.898 9.903 1.00 0.00 C ATOM 300 O CYS A 349 80.438 7.406 11.012 1.00 0.00 O ATOM 301 CB CYS A 349 78.715 8.370 8.606 1.00 0.00 C ATOM 302 SG CYS A 349 77.383 7.130 8.530 1.00 0.00 S ATOM 0 H CYS A 349 79.582 6.554 7.039 1.00 0.00 H new ATOM 0 HA CYS A 349 80.852 8.580 8.723 1.00 0.00 H new ATOM 0 HB2 CYS A 349 78.564 8.996 9.485 1.00 0.00 H new ATOM 0 HB3 CYS A 349 78.641 9.021 7.735 1.00 0.00 H new ATOM 0 HG CYS A 349 77.827 6.051 7.956 1.00 0.00 H new ATOM 307 N GLN A 350 80.215 5.580 9.710 1.00 0.00 N ATOM 308 CA GLN A 350 80.347 4.622 10.809 1.00 0.00 C ATOM 309 C GLN A 350 79.534 5.047 12.032 1.00 0.00 C ATOM 310 O GLN A 350 80.000 5.828 12.861 1.00 0.00 O ATOM 311 CB GLN A 350 81.820 4.443 11.195 1.00 0.00 C ATOM 312 CG GLN A 350 82.572 5.750 11.390 1.00 0.00 C ATOM 313 CD GLN A 350 83.995 5.536 11.866 1.00 0.00 C ATOM 314 OE1 GLN A 350 84.355 5.925 12.978 1.00 0.00 O ATOM 315 NE2 GLN A 350 84.814 4.916 11.025 1.00 0.00 N ATOM 0 H GLN A 350 80.076 5.149 8.796 1.00 0.00 H new ATOM 0 HA GLN A 350 79.951 3.669 10.457 1.00 0.00 H new ATOM 0 HB2 GLN A 350 81.876 3.863 12.116 1.00 0.00 H new ATOM 0 HB3 GLN A 350 82.319 3.860 10.421 1.00 0.00 H new ATOM 0 HG2 GLN A 350 82.586 6.301 10.450 1.00 0.00 H new ATOM 0 HG3 GLN A 350 82.039 6.367 12.113 1.00 0.00 H new ATOM 0 HE21 GLN A 350 84.473 4.611 10.113 1.00 0.00 H new ATOM 0 HE22 GLN A 350 85.784 4.745 11.291 1.00 0.00 H new ATOM 324 N LYS A 351 78.317 4.519 12.137 1.00 0.00 N ATOM 325 CA LYS A 351 77.437 4.835 13.258 1.00 0.00 C ATOM 326 C LYS A 351 76.813 3.565 13.829 1.00 0.00 C ATOM 327 O LYS A 351 76.949 2.485 13.255 1.00 0.00 O ATOM 328 CB LYS A 351 76.337 5.802 12.815 1.00 0.00 C ATOM 329 CG LYS A 351 76.858 7.026 12.079 1.00 0.00 C ATOM 330 CD LYS A 351 77.016 8.213 13.014 1.00 0.00 C ATOM 331 CE LYS A 351 76.967 9.530 12.256 1.00 0.00 C ATOM 332 NZ LYS A 351 75.717 9.666 11.458 1.00 0.00 N ATOM 0 H LYS A 351 77.918 3.870 11.459 1.00 0.00 H new ATOM 0 HA LYS A 351 78.035 5.310 14.036 1.00 0.00 H new ATOM 0 HB2 LYS A 351 75.638 5.271 12.169 1.00 0.00 H new ATOM 0 HB3 LYS A 351 75.777 6.127 13.692 1.00 0.00 H new ATOM 0 HG2 LYS A 351 77.818 6.794 11.619 1.00 0.00 H new ATOM 0 HG3 LYS A 351 76.173 7.286 11.272 1.00 0.00 H new ATOM 0 HD2 LYS A 351 76.225 8.194 13.764 1.00 0.00 H new ATOM 0 HD3 LYS A 351 77.963 8.134 13.547 1.00 0.00 H new ATOM 0 HE2 LYS A 351 77.039 10.358 12.962 1.00 0.00 H new ATOM 0 HE3 LYS A 351 77.830 9.600 11.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 75.323 10.619 11.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 75.930 9.516 10.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 75.024 8.958 11.775 1.00 0.00 H new ATOM 346 N SER A 352 76.125 3.700 14.960 1.00 0.00 N ATOM 347 CA SER A 352 75.479 2.559 15.602 1.00 0.00 C ATOM 348 C SER A 352 74.397 1.971 14.700 1.00 0.00 C ATOM 349 O SER A 352 73.213 2.266 14.860 1.00 0.00 O ATOM 350 CB SER A 352 74.871 2.979 16.942 1.00 0.00 C ATOM 351 OG SER A 352 73.957 2.005 17.416 1.00 0.00 O ATOM 0 H SER A 352 76.001 4.586 15.450 1.00 0.00 H new ATOM 0 HA SER A 352 76.235 1.794 15.779 1.00 0.00 H new ATOM 0 HB2 SER A 352 75.664 3.125 17.675 1.00 0.00 H new ATOM 0 HB3 SER A 352 74.361 3.936 16.830 1.00 0.00 H new ATOM 0 HG SER A 352 73.194 1.948 16.804 1.00 0.00 H new ATOM 357 N MET A 353 74.817 1.145 13.747 1.00 0.00 N ATOM 358 CA MET A 353 73.891 0.520 12.807 1.00 0.00 C ATOM 359 C MET A 353 74.604 -0.551 11.998 1.00 0.00 C ATOM 360 O MET A 353 75.828 -0.672 12.063 1.00 0.00 O ATOM 361 CB MET A 353 73.295 1.564 11.850 1.00 0.00 C ATOM 362 CG MET A 353 74.156 2.804 11.655 1.00 0.00 C ATOM 363 SD MET A 353 73.189 4.326 11.619 1.00 0.00 S ATOM 364 CE MET A 353 72.427 4.206 10.003 1.00 0.00 C ATOM 0 H MET A 353 75.795 0.892 13.605 1.00 0.00 H new ATOM 0 HA MET A 353 73.085 0.066 13.383 1.00 0.00 H new ATOM 0 HB2 MET A 353 73.129 1.096 10.880 1.00 0.00 H new ATOM 0 HB3 MET A 353 72.319 1.870 12.228 1.00 0.00 H new ATOM 0 HG2 MET A 353 74.888 2.863 12.460 1.00 0.00 H new ATOM 0 HG3 MET A 353 74.714 2.711 10.723 1.00 0.00 H new ATOM 0 HE1 MET A 353 72.781 5.022 9.372 1.00 0.00 H new ATOM 0 HE2 MET A 353 72.692 3.253 9.546 1.00 0.00 H new ATOM 0 HE3 MET A 353 71.344 4.271 10.106 1.00 0.00 H new ATOM 374 N ILE A 354 73.855 -1.273 11.171 1.00 0.00 N ATOM 375 CA ILE A 354 74.438 -2.237 10.303 1.00 0.00 C ATOM 376 C ILE A 354 73.744 -2.165 8.983 1.00 0.00 C ATOM 377 O ILE A 354 72.760 -2.844 8.692 1.00 0.00 O ATOM 378 CB ILE A 354 74.354 -3.657 10.850 1.00 0.00 C ATOM 379 CG1 ILE A 354 75.124 -4.626 9.948 1.00 0.00 C ATOM 380 CG2 ILE A 354 72.903 -4.099 11.001 1.00 0.00 C ATOM 381 CD1 ILE A 354 76.493 -4.988 10.482 1.00 0.00 C ATOM 0 H ILE A 354 72.841 -1.193 11.099 1.00 0.00 H new ATOM 0 HA ILE A 354 75.498 -2.003 10.206 1.00 0.00 H new ATOM 0 HB ILE A 354 74.813 -3.668 11.839 1.00 0.00 H new ATOM 0 HG12 ILE A 354 74.539 -5.537 9.823 1.00 0.00 H new ATOM 0 HG13 ILE A 354 75.234 -4.180 8.959 1.00 0.00 H new ATOM 0 HG21 ILE A 354 72.871 -5.116 11.393 1.00 0.00 H new ATOM 0 HG22 ILE A 354 72.388 -3.429 11.689 1.00 0.00 H new ATOM 0 HG23 ILE A 354 72.411 -4.069 10.029 1.00 0.00 H new ATOM 0 HD11 ILE A 354 76.982 -5.677 9.793 1.00 0.00 H new ATOM 0 HD12 ILE A 354 77.096 -4.085 10.580 1.00 0.00 H new ATOM 0 HD13 ILE A 354 76.389 -5.463 11.458 1.00 0.00 H new ATOM 393 N PHE A 355 74.328 -1.352 8.203 1.00 0.00 N ATOM 394 CA PHE A 355 73.898 -1.116 6.839 1.00 0.00 C ATOM 395 C PHE A 355 75.111 -1.007 5.933 1.00 0.00 C ATOM 396 O PHE A 355 75.956 -0.132 6.123 1.00 0.00 O ATOM 397 CB PHE A 355 73.047 0.151 6.752 1.00 0.00 C ATOM 398 CG PHE A 355 71.570 -0.112 6.819 1.00 0.00 C ATOM 399 CD1 PHE A 355 70.874 -0.516 5.691 1.00 0.00 C ATOM 400 CD2 PHE A 355 70.878 0.045 8.009 1.00 0.00 C ATOM 401 CE1 PHE A 355 69.514 -0.759 5.749 1.00 0.00 C ATOM 402 CE2 PHE A 355 69.519 -0.196 8.073 1.00 0.00 C ATOM 403 CZ PHE A 355 68.836 -0.598 6.941 1.00 0.00 C ATOM 0 H PHE A 355 75.143 -0.804 8.477 1.00 0.00 H new ATOM 0 HA PHE A 355 73.285 -1.956 6.512 1.00 0.00 H new ATOM 0 HB2 PHE A 355 73.325 0.822 7.564 1.00 0.00 H new ATOM 0 HB3 PHE A 355 73.274 0.668 5.820 1.00 0.00 H new ATOM 0 HD1 PHE A 355 71.400 -0.643 4.756 1.00 0.00 H new ATOM 0 HD2 PHE A 355 71.407 0.359 8.897 1.00 0.00 H new ATOM 0 HE1 PHE A 355 68.983 -1.074 4.863 1.00 0.00 H new ATOM 0 HE2 PHE A 355 68.991 -0.070 9.007 1.00 0.00 H new ATOM 0 HZ PHE A 355 67.774 -0.786 6.989 1.00 0.00 H new ATOM 413 N GLY A 356 75.201 -1.885 4.947 1.00 0.00 N ATOM 414 CA GLY A 356 76.330 -1.835 4.043 1.00 0.00 C ATOM 415 C GLY A 356 76.002 -2.352 2.670 1.00 0.00 C ATOM 416 O GLY A 356 75.620 -3.506 2.508 1.00 0.00 O ATOM 0 H GLY A 356 74.522 -2.622 4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 356 76.681 -0.806 3.964 1.00 0.00 H new ATOM 0 HA3 GLY A 356 77.150 -2.420 4.460 1.00 0.00 H new ATOM 420 N VAL A 357 76.175 -1.505 1.676 1.00 0.00 N ATOM 421 CA VAL A 357 75.912 -1.899 0.303 1.00 0.00 C ATOM 422 C VAL A 357 77.226 -2.171 -0.411 1.00 0.00 C ATOM 423 O VAL A 357 78.179 -1.403 -0.291 1.00 0.00 O ATOM 424 CB VAL A 357 75.099 -0.838 -0.486 1.00 0.00 C ATOM 425 CG1 VAL A 357 73.797 -1.436 -0.995 1.00 0.00 C ATOM 426 CG2 VAL A 357 74.820 0.400 0.357 1.00 0.00 C ATOM 0 H VAL A 357 76.495 -0.543 1.790 1.00 0.00 H new ATOM 0 HA VAL A 357 75.304 -2.803 0.341 1.00 0.00 H new ATOM 0 HB VAL A 357 75.704 -0.528 -1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 357 73.240 -0.678 -1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 357 74.016 -2.276 -1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 357 73.201 -1.783 -0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 357 74.249 1.119 -0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 357 74.248 0.117 1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 357 75.763 0.851 0.665 1.00 0.00 H new ATOM 436 N LYS A 358 77.278 -3.282 -1.133 1.00 0.00 N ATOM 437 CA LYS A 358 78.481 -3.670 -1.845 1.00 0.00 C ATOM 438 C LYS A 358 78.292 -3.551 -3.347 1.00 0.00 C ATOM 439 O LYS A 358 77.362 -4.129 -3.914 1.00 0.00 O ATOM 440 CB LYS A 358 78.873 -5.103 -1.481 1.00 0.00 C ATOM 441 CG LYS A 358 80.218 -5.528 -2.048 1.00 0.00 C ATOM 442 CD LYS A 358 80.682 -6.847 -1.451 1.00 0.00 C ATOM 443 CE LYS A 358 80.359 -8.017 -2.367 1.00 0.00 C ATOM 444 NZ LYS A 358 79.056 -8.650 -2.021 1.00 0.00 N ATOM 0 H LYS A 358 76.497 -3.930 -1.239 1.00 0.00 H new ATOM 0 HA LYS A 358 79.281 -2.992 -1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 358 78.899 -5.199 -0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 358 78.103 -5.785 -1.843 1.00 0.00 H new ATOM 0 HG2 LYS A 358 80.144 -5.624 -3.131 1.00 0.00 H new ATOM 0 HG3 LYS A 358 80.960 -4.755 -1.846 1.00 0.00 H new ATOM 0 HD2 LYS A 358 81.757 -6.809 -1.273 1.00 0.00 H new ATOM 0 HD3 LYS A 358 80.203 -6.998 -0.483 1.00 0.00 H new ATOM 0 HE2 LYS A 358 80.332 -7.672 -3.401 1.00 0.00 H new ATOM 0 HE3 LYS A 358 81.153 -8.761 -2.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 358 78.873 -9.443 -2.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 358 79.090 -9.002 -1.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 358 78.294 -7.947 -2.110 1.00 0.00 H new ATOM 458 N CYS A 359 79.186 -2.804 -3.983 1.00 0.00 N ATOM 459 CA CYS A 359 79.138 -2.615 -5.423 1.00 0.00 C ATOM 460 C CYS A 359 80.171 -3.504 -6.090 1.00 0.00 C ATOM 461 O CYS A 359 81.322 -3.559 -5.651 1.00 0.00 O ATOM 462 CB CYS A 359 79.390 -1.147 -5.794 1.00 0.00 C ATOM 463 SG CYS A 359 81.146 -0.647 -5.801 1.00 0.00 S ATOM 0 H CYS A 359 79.955 -2.319 -3.520 1.00 0.00 H new ATOM 0 HA CYS A 359 78.143 -2.888 -5.774 1.00 0.00 H new ATOM 0 HB2 CYS A 359 78.970 -0.960 -6.782 1.00 0.00 H new ATOM 0 HB3 CYS A 359 78.849 -0.512 -5.092 1.00 0.00 H new ATOM 468 N LYS A 360 79.766 -4.187 -7.151 1.00 0.00 N ATOM 469 CA LYS A 360 80.638 -5.045 -7.872 1.00 0.00 C ATOM 470 C LYS A 360 81.489 -4.230 -8.822 1.00 0.00 C ATOM 471 O LYS A 360 81.561 -3.004 -8.728 1.00 0.00 O ATOM 472 CB LYS A 360 79.799 -6.072 -8.629 1.00 0.00 C ATOM 473 CG LYS A 360 79.824 -7.463 -8.016 1.00 0.00 C ATOM 474 CD LYS A 360 79.490 -7.427 -6.534 1.00 0.00 C ATOM 475 CE LYS A 360 78.031 -7.074 -6.300 1.00 0.00 C ATOM 476 NZ LYS A 360 77.136 -8.248 -6.499 1.00 0.00 N ATOM 0 H LYS A 360 78.816 -4.148 -7.521 1.00 0.00 H new ATOM 0 HA LYS A 360 81.306 -5.568 -7.188 1.00 0.00 H new ATOM 0 HB2 LYS A 360 78.767 -5.723 -8.671 1.00 0.00 H new ATOM 0 HB3 LYS A 360 80.157 -6.132 -9.657 1.00 0.00 H new ATOM 0 HG2 LYS A 360 79.110 -8.103 -8.535 1.00 0.00 H new ATOM 0 HG3 LYS A 360 80.810 -7.906 -8.157 1.00 0.00 H new ATOM 0 HD2 LYS A 360 79.707 -8.397 -6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 360 80.127 -6.697 -6.034 1.00 0.00 H new ATOM 0 HE2 LYS A 360 77.908 -6.692 -5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 360 77.737 -6.274 -6.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 360 76.150 -7.965 -6.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 360 77.234 -8.598 -7.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 360 77.399 -9.002 -5.833 1.00 0.00 H new ATOM 490 N HIS A 361 82.131 -4.925 -9.724 1.00 0.00 N ATOM 491 CA HIS A 361 83.007 -4.306 -10.719 1.00 0.00 C ATOM 492 C HIS A 361 84.269 -3.735 -10.067 1.00 0.00 C ATOM 493 O HIS A 361 85.350 -3.768 -10.655 1.00 0.00 O ATOM 494 CB HIS A 361 82.261 -3.201 -11.476 1.00 0.00 C ATOM 495 CG HIS A 361 81.947 -3.557 -12.895 1.00 0.00 C ATOM 496 ND1 HIS A 361 81.772 -4.855 -13.325 1.00 0.00 N ATOM 497 CD2 HIS A 361 81.775 -2.775 -13.988 1.00 0.00 C ATOM 498 CE1 HIS A 361 81.507 -4.857 -14.620 1.00 0.00 C ATOM 499 NE2 HIS A 361 81.503 -3.607 -15.045 1.00 0.00 N ATOM 0 H HIS A 361 82.070 -5.940 -9.800 1.00 0.00 H new ATOM 0 HA HIS A 361 83.308 -5.080 -11.425 1.00 0.00 H new ATOM 0 HB2 HIS A 361 81.332 -2.976 -10.952 1.00 0.00 H new ATOM 0 HB3 HIS A 361 82.863 -2.292 -11.462 1.00 0.00 H new ATOM 0 HD2 HIS A 361 81.840 -1.697 -14.021 1.00 0.00 H new ATOM 0 HE1 HIS A 361 81.325 -5.732 -15.227 1.00 0.00 H new ATOM 0 HE2 HIS A 361 81.326 -3.308 -16.004 1.00 0.00 H new ATOM 508 N CYS A 362 84.122 -3.210 -8.854 1.00 0.00 N ATOM 509 CA CYS A 362 85.240 -2.627 -8.120 1.00 0.00 C ATOM 510 C CYS A 362 85.325 -3.215 -6.714 1.00 0.00 C ATOM 511 O CYS A 362 86.406 -3.561 -6.243 1.00 0.00 O ATOM 512 CB CYS A 362 85.094 -1.101 -8.032 1.00 0.00 C ATOM 513 SG CYS A 362 83.813 -0.389 -9.119 1.00 0.00 S ATOM 0 H CYS A 362 83.233 -3.177 -8.356 1.00 0.00 H new ATOM 0 HA CYS A 362 86.156 -2.865 -8.661 1.00 0.00 H new ATOM 0 HB2 CYS A 362 84.866 -0.831 -7.001 1.00 0.00 H new ATOM 0 HB3 CYS A 362 86.053 -0.644 -8.277 1.00 0.00 H new ATOM 0 HG CYS A 362 82.768 -1.162 -9.122 1.00 0.00 H new ATOM 518 N ARG A 363 84.167 -3.316 -6.059 1.00 0.00 N ATOM 519 CA ARG A 363 84.060 -3.855 -4.700 1.00 0.00 C ATOM 520 C ARG A 363 84.231 -2.749 -3.652 1.00 0.00 C ATOM 521 O ARG A 363 85.342 -2.389 -3.269 1.00 0.00 O ATOM 522 CB ARG A 363 85.041 -5.030 -4.479 1.00 0.00 C ATOM 523 CG ARG A 363 86.371 -4.672 -3.824 1.00 0.00 C ATOM 524 CD ARG A 363 86.305 -4.813 -2.310 1.00 0.00 C ATOM 525 NE ARG A 363 87.613 -4.629 -1.685 1.00 0.00 N ATOM 526 CZ ARG A 363 88.157 -3.440 -1.437 1.00 0.00 C ATOM 527 NH1 ARG A 363 87.512 -2.326 -1.760 1.00 0.00 N ATOM 528 NH2 ARG A 363 89.351 -3.364 -0.864 1.00 0.00 N ATOM 0 H ARG A 363 83.274 -3.026 -6.456 1.00 0.00 H new ATOM 0 HA ARG A 363 83.055 -4.259 -4.576 1.00 0.00 H new ATOM 0 HB2 ARG A 363 84.545 -5.781 -3.864 1.00 0.00 H new ATOM 0 HB3 ARG A 363 85.246 -5.493 -5.444 1.00 0.00 H new ATOM 0 HG2 ARG A 363 87.156 -5.318 -4.216 1.00 0.00 H new ATOM 0 HG3 ARG A 363 86.641 -3.648 -4.083 1.00 0.00 H new ATOM 0 HD2 ARG A 363 85.605 -4.081 -1.908 1.00 0.00 H new ATOM 0 HD3 ARG A 363 85.917 -5.799 -2.054 1.00 0.00 H new ATOM 0 HE ARG A 363 88.141 -5.462 -1.423 1.00 0.00 H new ATOM 0 HH11 ARG A 363 86.594 -2.378 -2.201 1.00 0.00 H new ATOM 0 HH12 ARG A 363 87.935 -1.418 -1.567 1.00 0.00 H new ATOM 0 HH21 ARG A 363 89.852 -4.217 -0.614 1.00 0.00 H new ATOM 0 HH22 ARG A 363 89.768 -2.453 -0.674 1.00 0.00 H new ATOM 542 N LEU A 364 83.106 -2.201 -3.200 1.00 0.00 N ATOM 543 CA LEU A 364 83.123 -1.132 -2.199 1.00 0.00 C ATOM 544 C LEU A 364 81.992 -1.316 -1.192 1.00 0.00 C ATOM 545 O LEU A 364 81.002 -1.979 -1.484 1.00 0.00 O ATOM 546 CB LEU A 364 83.001 0.234 -2.878 1.00 0.00 C ATOM 547 CG LEU A 364 83.712 1.381 -2.157 1.00 0.00 C ATOM 548 CD1 LEU A 364 85.198 1.087 -2.023 1.00 0.00 C ATOM 549 CD2 LEU A 364 83.491 2.691 -2.897 1.00 0.00 C ATOM 0 H LEU A 364 82.173 -2.476 -3.508 1.00 0.00 H new ATOM 0 HA LEU A 364 84.073 -1.180 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 364 83.401 0.157 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 364 81.944 0.483 -2.971 1.00 0.00 H new ATOM 0 HG LEU A 364 83.290 1.475 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 364 85.687 1.914 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 364 85.337 0.170 -1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 364 85.636 0.967 -3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 364 84.003 3.497 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 364 83.887 2.609 -3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 364 82.424 2.908 -2.942 1.00 0.00 H new ATOM 561 N LYS A 365 82.137 -0.729 -0.004 1.00 0.00 N ATOM 562 CA LYS A 365 81.111 -0.844 1.027 1.00 0.00 C ATOM 563 C LYS A 365 80.728 0.529 1.570 1.00 0.00 C ATOM 564 O LYS A 365 81.592 1.331 1.923 1.00 0.00 O ATOM 565 CB LYS A 365 81.602 -1.738 2.167 1.00 0.00 C ATOM 566 CG LYS A 365 80.565 -1.958 3.257 1.00 0.00 C ATOM 567 CD LYS A 365 80.850 -3.223 4.049 1.00 0.00 C ATOM 568 CE LYS A 365 80.098 -4.417 3.482 1.00 0.00 C ATOM 569 NZ LYS A 365 80.916 -5.169 2.492 1.00 0.00 N ATOM 0 H LYS A 365 82.949 -0.174 0.265 1.00 0.00 H new ATOM 0 HA LYS A 365 80.227 -1.295 0.576 1.00 0.00 H new ATOM 0 HB2 LYS A 365 81.898 -2.704 1.758 1.00 0.00 H new ATOM 0 HB3 LYS A 365 82.493 -1.292 2.609 1.00 0.00 H new ATOM 0 HG2 LYS A 365 80.555 -1.101 3.930 1.00 0.00 H new ATOM 0 HG3 LYS A 365 79.573 -2.023 2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 365 81.921 -3.427 4.038 1.00 0.00 H new ATOM 0 HD3 LYS A 365 80.565 -3.073 5.090 1.00 0.00 H new ATOM 0 HE2 LYS A 365 79.809 -5.083 4.295 1.00 0.00 H new ATOM 0 HE3 LYS A 365 79.178 -4.075 3.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 80.494 -6.106 2.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 80.943 -4.645 1.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 81.884 -5.283 2.856 1.00 0.00 H new ATOM 583 N CYS A 366 79.427 0.793 1.630 1.00 0.00 N ATOM 584 CA CYS A 366 78.927 2.070 2.127 1.00 0.00 C ATOM 585 C CYS A 366 77.482 1.948 2.599 1.00 0.00 C ATOM 586 O CYS A 366 76.767 1.025 2.208 1.00 0.00 O ATOM 587 CB CYS A 366 79.033 3.142 1.041 1.00 0.00 C ATOM 588 SG CYS A 366 78.030 2.808 -0.426 1.00 0.00 S ATOM 0 H CYS A 366 78.699 0.139 1.341 1.00 0.00 H new ATOM 0 HA CYS A 366 79.542 2.362 2.978 1.00 0.00 H new ATOM 0 HB2 CYS A 366 78.733 4.102 1.462 1.00 0.00 H new ATOM 0 HB3 CYS A 366 80.076 3.238 0.741 1.00 0.00 H new ATOM 0 HG CYS A 366 78.688 2.031 -1.234 1.00 0.00 H new ATOM 594 N HIS A 367 77.055 2.889 3.436 1.00 0.00 N ATOM 595 CA HIS A 367 75.689 2.899 3.956 1.00 0.00 C ATOM 596 C HIS A 367 74.677 2.789 2.822 1.00 0.00 C ATOM 597 O HIS A 367 75.052 2.730 1.652 1.00 0.00 O ATOM 598 CB HIS A 367 75.436 4.189 4.737 1.00 0.00 C ATOM 599 CG HIS A 367 75.386 3.996 6.216 1.00 0.00 C ATOM 600 ND1 HIS A 367 75.919 4.924 7.071 1.00 0.00 N ATOM 601 CD2 HIS A 367 74.871 2.973 6.931 1.00 0.00 C ATOM 602 CE1 HIS A 367 75.716 4.448 8.287 1.00 0.00 C ATOM 603 NE2 HIS A 367 75.084 3.264 8.252 1.00 0.00 N ATOM 0 H HIS A 367 77.637 3.657 3.770 1.00 0.00 H new ATOM 0 HA HIS A 367 75.571 2.041 4.617 1.00 0.00 H new ATOM 0 HB2 HIS A 367 76.221 4.907 4.500 1.00 0.00 H new ATOM 0 HB3 HIS A 367 74.494 4.626 4.405 1.00 0.00 H new ATOM 0 HD1 HIS A 367 76.377 5.800 6.821 1.00 0.00 H new ATOM 0 HD2 HIS A 367 74.384 2.093 6.536 1.00 0.00 H new ATOM 0 HE1 HIS A 367 76.020 4.948 9.194 1.00 0.00 H new ATOM 611 N ASN A 368 73.392 2.786 3.172 1.00 0.00 N ATOM 612 CA ASN A 368 72.328 2.705 2.174 1.00 0.00 C ATOM 613 C ASN A 368 72.607 3.666 1.022 1.00 0.00 C ATOM 614 O ASN A 368 72.228 3.414 -0.122 1.00 0.00 O ATOM 615 CB ASN A 368 70.974 3.027 2.810 1.00 0.00 C ATOM 616 CG ASN A 368 70.998 4.324 3.593 1.00 0.00 C ATOM 617 OD1 ASN A 368 70.976 5.412 3.017 1.00 0.00 O ATOM 618 ND2 ASN A 368 71.042 4.216 4.916 1.00 0.00 N ATOM 0 H ASN A 368 73.063 2.839 4.136 1.00 0.00 H new ATOM 0 HA ASN A 368 72.298 1.688 1.784 1.00 0.00 H new ATOM 0 HB2 ASN A 368 70.215 3.090 2.030 1.00 0.00 H new ATOM 0 HB3 ASN A 368 70.683 2.211 3.472 1.00 0.00 H new ATOM 0 HD21 ASN A 368 71.059 5.055 5.496 1.00 0.00 H new ATOM 0 HD22 ASN A 368 71.059 3.294 5.352 1.00 0.00 H new ATOM 625 N LYS A 369 73.287 4.764 1.339 1.00 0.00 N ATOM 626 CA LYS A 369 73.642 5.764 0.344 1.00 0.00 C ATOM 627 C LYS A 369 74.485 6.871 0.970 1.00 0.00 C ATOM 628 O LYS A 369 74.032 8.005 1.125 1.00 0.00 O ATOM 629 CB LYS A 369 72.388 6.350 -0.303 1.00 0.00 C ATOM 630 CG LYS A 369 72.530 6.542 -1.802 1.00 0.00 C ATOM 631 CD LYS A 369 72.586 5.207 -2.530 1.00 0.00 C ATOM 632 CE LYS A 369 72.526 5.393 -4.038 1.00 0.00 C ATOM 633 NZ LYS A 369 71.125 5.507 -4.529 1.00 0.00 N ATOM 0 H LYS A 369 73.604 4.982 2.284 1.00 0.00 H new ATOM 0 HA LYS A 369 74.234 5.277 -0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 369 71.542 5.692 -0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 369 72.161 7.310 0.161 1.00 0.00 H new ATOM 0 HG2 LYS A 369 71.690 7.127 -2.176 1.00 0.00 H new ATOM 0 HG3 LYS A 369 73.435 7.112 -2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 369 73.504 4.684 -2.263 1.00 0.00 H new ATOM 0 HD3 LYS A 369 71.756 4.579 -2.206 1.00 0.00 H new ATOM 0 HE2 LYS A 369 73.082 6.289 -4.316 1.00 0.00 H new ATOM 0 HE3 LYS A 369 73.015 4.550 -4.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 71.128 5.633 -5.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 70.601 4.642 -4.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 70.666 6.326 -4.082 1.00 0.00 H new ATOM 647 N CYS A 370 75.719 6.527 1.322 1.00 0.00 N ATOM 648 CA CYS A 370 76.643 7.483 1.927 1.00 0.00 C ATOM 649 C CYS A 370 77.682 7.952 0.909 1.00 0.00 C ATOM 650 O CYS A 370 78.707 8.528 1.275 1.00 0.00 O ATOM 651 CB CYS A 370 77.345 6.854 3.138 1.00 0.00 C ATOM 652 SG CYS A 370 76.744 7.461 4.751 1.00 0.00 S ATOM 0 H CYS A 370 76.105 5.591 1.199 1.00 0.00 H new ATOM 0 HA CYS A 370 76.067 8.347 2.259 1.00 0.00 H new ATOM 0 HB2 CYS A 370 77.214 5.773 3.098 1.00 0.00 H new ATOM 0 HB3 CYS A 370 78.415 7.049 3.065 1.00 0.00 H new ATOM 0 HG CYS A 370 77.636 7.219 5.665 1.00 0.00 H new ATOM 657 N THR A 371 77.410 7.702 -0.370 1.00 0.00 N ATOM 658 CA THR A 371 78.319 8.098 -1.441 1.00 0.00 C ATOM 659 C THR A 371 78.591 9.599 -1.399 1.00 0.00 C ATOM 660 O THR A 371 79.670 10.054 -1.780 1.00 0.00 O ATOM 661 CB THR A 371 77.745 7.702 -2.806 1.00 0.00 C ATOM 662 OG1 THR A 371 78.358 8.447 -3.845 1.00 0.00 O ATOM 663 CG2 THR A 371 76.248 7.907 -2.916 1.00 0.00 C ATOM 0 H THR A 371 76.566 7.226 -0.689 1.00 0.00 H new ATOM 0 HA THR A 371 79.263 7.575 -1.292 1.00 0.00 H new ATOM 0 HB THR A 371 77.955 6.637 -2.905 1.00 0.00 H new ATOM 0 HG1 THR A 371 77.979 8.178 -4.708 1.00 0.00 H new ATOM 0 HG21 THR A 371 75.911 7.606 -3.908 1.00 0.00 H new ATOM 0 HG22 THR A 371 75.742 7.304 -2.163 1.00 0.00 H new ATOM 0 HG23 THR A 371 76.012 8.959 -2.757 1.00 0.00 H new ATOM 671 N LYS A 372 77.608 10.362 -0.935 1.00 0.00 N ATOM 672 CA LYS A 372 77.746 11.811 -0.843 1.00 0.00 C ATOM 673 C LYS A 372 78.865 12.192 0.123 1.00 0.00 C ATOM 674 O LYS A 372 79.433 13.280 0.031 1.00 0.00 O ATOM 675 CB LYS A 372 76.429 12.443 -0.390 1.00 0.00 C ATOM 676 CG LYS A 372 75.817 11.766 0.827 1.00 0.00 C ATOM 677 CD LYS A 372 74.607 10.926 0.451 1.00 0.00 C ATOM 678 CE LYS A 372 73.377 11.791 0.226 1.00 0.00 C ATOM 679 NZ LYS A 372 72.827 12.318 1.505 1.00 0.00 N ATOM 0 H LYS A 372 76.708 10.002 -0.617 1.00 0.00 H new ATOM 0 HA LYS A 372 78.001 12.189 -1.833 1.00 0.00 H new ATOM 0 HB2 LYS A 372 76.600 13.495 -0.163 1.00 0.00 H new ATOM 0 HB3 LYS A 372 75.716 12.406 -1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 372 76.564 11.134 1.307 1.00 0.00 H new ATOM 0 HG3 LYS A 372 75.524 12.522 1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 372 74.824 10.358 -0.454 1.00 0.00 H new ATOM 0 HD3 LYS A 372 74.405 10.203 1.241 1.00 0.00 H new ATOM 0 HE2 LYS A 372 73.634 12.624 -0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 372 72.611 11.207 -0.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 71.879 12.712 1.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 72.764 11.547 2.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 73.453 13.064 1.871 1.00 0.00 H new ATOM 693 N GLU A 373 79.179 11.289 1.048 1.00 0.00 N ATOM 694 CA GLU A 373 80.232 11.531 2.027 1.00 0.00 C ATOM 695 C GLU A 373 81.473 10.706 1.703 1.00 0.00 C ATOM 696 O GLU A 373 82.598 11.118 1.989 1.00 0.00 O ATOM 697 CB GLU A 373 79.735 11.196 3.434 1.00 0.00 C ATOM 698 CG GLU A 373 78.848 12.272 4.039 1.00 0.00 C ATOM 699 CD GLU A 373 78.641 12.087 5.529 1.00 0.00 C ATOM 700 OE1 GLU A 373 78.420 10.936 5.959 1.00 0.00 O ATOM 701 OE2 GLU A 373 78.700 13.094 6.266 1.00 0.00 O ATOM 0 H GLU A 373 78.719 10.383 1.139 1.00 0.00 H new ATOM 0 HA GLU A 373 80.498 12.587 1.986 1.00 0.00 H new ATOM 0 HB2 GLU A 373 79.182 10.257 3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 373 80.594 11.037 4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 373 79.294 13.250 3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 373 77.880 12.264 3.538 1.00 0.00 H new ATOM 708 N ALA A 374 81.261 9.537 1.106 1.00 0.00 N ATOM 709 CA ALA A 374 82.361 8.652 0.742 1.00 0.00 C ATOM 710 C ALA A 374 82.774 8.860 -0.713 1.00 0.00 C ATOM 711 O ALA A 374 82.088 9.549 -1.468 1.00 0.00 O ATOM 712 CB ALA A 374 81.967 7.202 0.982 1.00 0.00 C ATOM 0 H ALA A 374 80.336 9.181 0.864 1.00 0.00 H new ATOM 0 HA ALA A 374 83.218 8.894 1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 374 82.796 6.549 0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 374 81.727 7.060 2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 374 81.095 6.957 0.375 1.00 0.00 H new ATOM 718 N PRO A 375 83.907 8.265 -1.128 1.00 0.00 N ATOM 719 CA PRO A 375 84.405 8.392 -2.500 1.00 0.00 C ATOM 720 C PRO A 375 83.564 7.600 -3.496 1.00 0.00 C ATOM 721 O PRO A 375 82.951 6.592 -3.143 1.00 0.00 O ATOM 722 CB PRO A 375 85.819 7.817 -2.418 1.00 0.00 C ATOM 723 CG PRO A 375 85.770 6.855 -1.282 1.00 0.00 C ATOM 724 CD PRO A 375 84.788 7.425 -0.294 1.00 0.00 C ATOM 0 HA PRO A 375 84.370 9.422 -2.854 1.00 0.00 H new ATOM 0 HB2 PRO A 375 86.099 7.319 -3.347 1.00 0.00 H new ATOM 0 HB3 PRO A 375 86.556 8.601 -2.242 1.00 0.00 H new ATOM 0 HG2 PRO A 375 85.454 5.868 -1.620 1.00 0.00 H new ATOM 0 HG3 PRO A 375 86.754 6.737 -0.829 1.00 0.00 H new ATOM 0 HD2 PRO A 375 84.229 6.640 0.215 1.00 0.00 H new ATOM 0 HD3 PRO A 375 85.289 8.011 0.477 1.00 0.00 H new ATOM 732 N ALA A 376 83.538 8.064 -4.741 1.00 0.00 N ATOM 733 CA ALA A 376 82.771 7.400 -5.789 1.00 0.00 C ATOM 734 C ALA A 376 83.223 5.955 -5.970 1.00 0.00 C ATOM 735 O ALA A 376 84.278 5.557 -5.476 1.00 0.00 O ATOM 736 CB ALA A 376 82.900 8.163 -7.099 1.00 0.00 C ATOM 0 H ALA A 376 84.039 8.897 -5.049 1.00 0.00 H new ATOM 0 HA ALA A 376 81.724 7.390 -5.487 1.00 0.00 H new ATOM 0 HB1 ALA A 376 82.323 7.657 -7.873 1.00 0.00 H new ATOM 0 HB2 ALA A 376 82.521 9.177 -6.968 1.00 0.00 H new ATOM 0 HB3 ALA A 376 83.948 8.203 -7.395 1.00 0.00 H new ATOM 742 N CYS A 377 82.417 5.174 -6.682 1.00 0.00 N ATOM 743 CA CYS A 377 82.734 3.772 -6.929 1.00 0.00 C ATOM 744 C CYS A 377 83.598 3.622 -8.177 1.00 0.00 C ATOM 745 O CYS A 377 83.224 4.069 -9.261 1.00 0.00 O ATOM 746 CB CYS A 377 81.449 2.956 -7.082 1.00 0.00 C ATOM 747 SG CYS A 377 81.523 1.302 -6.320 1.00 0.00 S ATOM 0 H CYS A 377 81.540 5.488 -7.098 1.00 0.00 H new ATOM 0 HA CYS A 377 83.295 3.395 -6.073 1.00 0.00 H new ATOM 0 HB2 CYS A 377 80.623 3.512 -6.638 1.00 0.00 H new ATOM 0 HB3 CYS A 377 81.225 2.846 -8.143 1.00 0.00 H new