USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=18 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 346 CYS SG : rot 160:sc= -3.38! USER MOD Set 1.2: A 349 CYS SG : rot -46:sc= -1.38 USER MOD Set 1.3: A 367 HIS : no HD1:sc= -11.8! C(o=-18!,f=-34!) USER MOD Set 1.4: A 370 CYS SG : rot 144:sc= -1.36 USER MOD Set 2.1: A 334 HIS : no HD1:sc= -6.8! C(o=-9.5!,f=-14!) USER MOD Set 2.2: A 359 CYS SG : rot 140:sc= -1.21! USER MOD Set 2.3: A 362 CYS SG : rot 132:sc= -1.23 USER MOD Set 2.4: A 377 CYS SG : rot 151:sc= -0.234! USER MOD Single : A 337 SER OG : rot 43:sc= 0.0696 USER MOD Single : A 338 THR OG1 : rot 180:sc= -3.92! USER MOD Single : A 339 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 SER OG : rot 180:sc= 0 USER MOD Single : A 344 GLN : amide:sc= -1.41 X(o=-1.4,f=-1.7) USER MOD Single : A 347 ASN :FLIP amide:sc= -1.07 F(o=-2.6,f=-1.1) 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 -52:sc= 0.441 USER MOD Single : A 353 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 358 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.274) USER MOD Single : A 360 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0198) USER MOD Single : A 361 HIS : no HD1:sc= -0.315 X(o=-0.31,f=-0.062) USER MOD Single : A 365 LYS NZ :NH3+ 160:sc= -2.95! (180deg=-3.93!) USER MOD Single : A 366 CYS SG : rot -105:sc= -0.726 USER MOD Single : A 368 ASN : amide:sc= -0.0454 K(o=-0.045,f=-1.2) USER MOD Single : A 369 LYS NZ :NH3+ -156:sc= -0.0676 (180deg=-0.418) USER MOD Single : A 371 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 372 LYS NZ :NH3+ -136:sc=-0.00271 (180deg=-0.0718) USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 334 83.143 -1.671 -8.826 1.00 0.00 N ATOM 52 CA HIS A 334 84.010 -1.783 -7.659 1.00 0.00 C ATOM 53 C HIS A 334 83.548 -2.919 -6.752 1.00 0.00 C ATOM 54 O HIS A 334 82.381 -3.311 -6.780 1.00 0.00 O ATOM 55 CB HIS A 334 84.033 -0.461 -6.888 1.00 0.00 C ATOM 56 CG HIS A 334 84.248 0.734 -7.766 1.00 0.00 C ATOM 57 ND1 HIS A 334 84.233 2.013 -7.261 1.00 0.00 N ATOM 58 CD2 HIS A 334 84.473 0.789 -9.102 1.00 0.00 C ATOM 59 CE1 HIS A 334 84.446 2.810 -8.294 1.00 0.00 C ATOM 60 NE2 HIS A 334 84.597 2.114 -9.430 1.00 0.00 N ATOM 0 HA HIS A 334 85.021 -2.007 -8.000 1.00 0.00 H new ATOM 0 HB2 HIS A 334 83.091 -0.345 -6.352 1.00 0.00 H new ATOM 0 HB3 HIS A 334 84.823 -0.499 -6.138 1.00 0.00 H new ATOM 0 HD2 HIS A 334 84.541 -0.050 -9.778 1.00 0.00 H new ATOM 0 HE1 HIS A 334 84.493 3.887 -8.231 1.00 0.00 H new ATOM 0 HE2 HIS A 334 84.771 2.497 -10.359 1.00 0.00 H new ATOM 68 N ARG A 335 84.469 -3.451 -5.955 1.00 0.00 N ATOM 69 CA ARG A 335 84.149 -4.550 -5.052 1.00 0.00 C ATOM 70 C ARG A 335 83.799 -4.038 -3.658 1.00 0.00 C ATOM 71 O ARG A 335 84.635 -3.454 -2.970 1.00 0.00 O ATOM 72 CB ARG A 335 85.325 -5.525 -4.965 1.00 0.00 C ATOM 73 CG ARG A 335 85.949 -5.848 -6.313 1.00 0.00 C ATOM 74 CD ARG A 335 87.330 -6.463 -6.155 1.00 0.00 C ATOM 75 NE ARG A 335 87.849 -6.978 -7.420 1.00 0.00 N ATOM 76 CZ ARG A 335 88.374 -6.212 -8.373 1.00 0.00 C ATOM 77 NH1 ARG A 335 88.453 -4.897 -8.209 1.00 0.00 N ATOM 78 NH2 ARG A 335 88.823 -6.761 -9.493 1.00 0.00 N ATOM 0 H ARG A 335 85.440 -3.140 -5.916 1.00 0.00 H new ATOM 0 HA ARG A 335 83.279 -5.069 -5.455 1.00 0.00 H new ATOM 0 HB2 ARG A 335 86.089 -5.102 -4.312 1.00 0.00 H new ATOM 0 HB3 ARG A 335 84.985 -6.451 -4.500 1.00 0.00 H new ATOM 0 HG2 ARG A 335 85.303 -6.536 -6.858 1.00 0.00 H new ATOM 0 HG3 ARG A 335 86.021 -4.938 -6.909 1.00 0.00 H new ATOM 0 HD2 ARG A 335 88.017 -5.715 -5.759 1.00 0.00 H new ATOM 0 HD3 ARG A 335 87.285 -7.272 -5.426 1.00 0.00 H new ATOM 0 HE ARG A 335 87.806 -7.984 -7.582 1.00 0.00 H new ATOM 0 HH11 ARG A 335 88.110 -4.469 -7.349 1.00 0.00 H new ATOM 0 HH12 ARG A 335 88.856 -4.315 -8.943 1.00 0.00 H new ATOM 0 HH21 ARG A 335 88.766 -7.771 -9.624 1.00 0.00 H new ATOM 0 HH22 ARG A 335 89.225 -6.174 -10.223 1.00 0.00 H new ATOM 92 N PHE A 336 82.555 -4.268 -3.252 1.00 0.00 N ATOM 93 CA PHE A 336 82.071 -3.850 -1.962 1.00 0.00 C ATOM 94 C PHE A 336 82.016 -5.034 -0.998 1.00 0.00 C ATOM 95 O PHE A 336 81.810 -6.174 -1.417 1.00 0.00 O ATOM 96 CB PHE A 336 80.675 -3.275 -2.146 1.00 0.00 C ATOM 97 CG PHE A 336 80.590 -1.779 -2.051 1.00 0.00 C ATOM 98 CD1 PHE A 336 81.000 -1.120 -0.906 1.00 0.00 C ATOM 99 CD2 PHE A 336 80.088 -1.033 -3.106 1.00 0.00 C ATOM 100 CE1 PHE A 336 80.914 0.257 -0.813 1.00 0.00 C ATOM 101 CE2 PHE A 336 79.998 0.344 -3.020 1.00 0.00 C ATOM 102 CZ PHE A 336 80.412 0.990 -1.871 1.00 0.00 C ATOM 0 H PHE A 336 81.859 -4.753 -3.819 1.00 0.00 H new ATOM 0 HA PHE A 336 82.743 -3.102 -1.542 1.00 0.00 H new ATOM 0 HB2 PHE A 336 80.296 -3.585 -3.120 1.00 0.00 H new ATOM 0 HB3 PHE A 336 80.017 -3.710 -1.394 1.00 0.00 H new ATOM 0 HD1 PHE A 336 81.392 -1.688 -0.075 1.00 0.00 H new ATOM 0 HD2 PHE A 336 79.763 -1.534 -4.006 1.00 0.00 H new ATOM 0 HE1 PHE A 336 81.239 0.759 0.086 1.00 0.00 H new ATOM 0 HE2 PHE A 336 79.605 0.913 -3.849 1.00 0.00 H new ATOM 0 HZ PHE A 336 80.343 2.065 -1.800 1.00 0.00 H new ATOM 112 N SER A 337 82.186 -4.762 0.289 1.00 0.00 N ATOM 113 CA SER A 337 82.136 -5.819 1.301 1.00 0.00 C ATOM 114 C SER A 337 81.173 -5.448 2.427 1.00 0.00 C ATOM 115 O SER A 337 81.282 -4.373 3.009 1.00 0.00 O ATOM 116 CB SER A 337 83.532 -6.075 1.872 1.00 0.00 C ATOM 117 OG SER A 337 84.134 -4.868 2.306 1.00 0.00 O ATOM 0 H SER A 337 82.359 -3.827 0.659 1.00 0.00 H new ATOM 0 HA SER A 337 81.775 -6.729 0.822 1.00 0.00 H new ATOM 0 HB2 SER A 337 83.465 -6.772 2.707 1.00 0.00 H new ATOM 0 HB3 SER A 337 84.158 -6.545 1.114 1.00 0.00 H new ATOM 0 HG SER A 337 83.472 -4.325 2.782 1.00 0.00 H new ATOM 123 N THR A 338 80.231 -6.343 2.733 1.00 0.00 N ATOM 124 CA THR A 338 79.250 -6.088 3.791 1.00 0.00 C ATOM 125 C THR A 338 79.582 -6.842 5.072 1.00 0.00 C ATOM 126 O THR A 338 80.078 -7.968 5.043 1.00 0.00 O ATOM 127 CB THR A 338 77.837 -6.465 3.335 1.00 0.00 C ATOM 128 OG1 THR A 338 77.501 -5.795 2.133 1.00 0.00 O ATOM 129 CG2 THR A 338 76.768 -6.135 4.364 1.00 0.00 C ATOM 0 H THR A 338 80.127 -7.244 2.267 1.00 0.00 H new ATOM 0 HA THR A 338 79.291 -5.019 4.000 1.00 0.00 H new ATOM 0 HB THR A 338 77.858 -7.545 3.190 1.00 0.00 H new ATOM 0 HG1 THR A 338 76.596 -6.051 1.858 1.00 0.00 H new ATOM 0 HG21 THR A 338 75.791 -6.427 3.980 1.00 0.00 H new ATOM 0 HG22 THR A 338 76.972 -6.678 5.287 1.00 0.00 H new ATOM 0 HG23 THR A 338 76.774 -5.064 4.564 1.00 0.00 H new ATOM 137 N LYS A 339 79.285 -6.201 6.195 1.00 0.00 N ATOM 138 CA LYS A 339 79.522 -6.774 7.509 1.00 0.00 C ATOM 139 C LYS A 339 78.414 -6.351 8.468 1.00 0.00 C ATOM 140 O LYS A 339 77.801 -5.292 8.294 1.00 0.00 O ATOM 141 CB LYS A 339 80.883 -6.332 8.049 1.00 0.00 C ATOM 142 CG LYS A 339 82.037 -7.201 7.577 1.00 0.00 C ATOM 143 CD LYS A 339 83.263 -7.026 8.457 1.00 0.00 C ATOM 144 CE LYS A 339 84.262 -6.062 7.837 1.00 0.00 C ATOM 145 NZ LYS A 339 85.668 -6.479 8.091 1.00 0.00 N ATOM 0 H LYS A 339 78.873 -5.268 6.218 1.00 0.00 H new ATOM 0 HA LYS A 339 79.522 -7.860 7.421 1.00 0.00 H new ATOM 0 HB2 LYS A 339 81.068 -5.302 7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 339 80.853 -6.343 9.139 1.00 0.00 H new ATOM 0 HG2 LYS A 339 81.731 -8.247 7.581 1.00 0.00 H new ATOM 0 HG3 LYS A 339 82.288 -6.946 6.547 1.00 0.00 H new ATOM 0 HD2 LYS A 339 82.959 -6.656 9.436 1.00 0.00 H new ATOM 0 HD3 LYS A 339 83.740 -7.993 8.615 1.00 0.00 H new ATOM 0 HE2 LYS A 339 84.090 -6.002 6.762 1.00 0.00 H new ATOM 0 HE3 LYS A 339 84.101 -5.063 8.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 86.317 -5.796 7.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 85.841 -6.511 9.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 85.830 -7.422 7.683 1.00 0.00 H new ATOM 159 N SER A 340 78.159 -7.185 9.471 1.00 0.00 N ATOM 160 CA SER A 340 77.122 -6.906 10.457 1.00 0.00 C ATOM 161 C SER A 340 77.700 -6.165 11.662 1.00 0.00 C ATOM 162 O SER A 340 78.765 -5.554 11.572 1.00 0.00 O ATOM 163 CB SER A 340 76.460 -8.211 10.905 1.00 0.00 C ATOM 164 OG SER A 340 75.076 -8.026 11.147 1.00 0.00 O ATOM 0 H SER A 340 78.658 -8.062 9.622 1.00 0.00 H new ATOM 0 HA SER A 340 76.371 -6.266 9.994 1.00 0.00 H new ATOM 0 HB2 SER A 340 76.599 -8.974 10.139 1.00 0.00 H new ATOM 0 HB3 SER A 340 76.945 -8.576 11.811 1.00 0.00 H new ATOM 0 HG SER A 340 74.677 -8.875 11.430 1.00 0.00 H new ATOM 224 N GLN A 344 76.822 1.081 10.722 1.00 0.00 N ATOM 225 CA GLN A 344 76.336 2.443 10.513 1.00 0.00 C ATOM 226 C GLN A 344 75.081 2.452 9.646 1.00 0.00 C ATOM 227 O GLN A 344 74.587 1.401 9.235 1.00 0.00 O ATOM 228 CB GLN A 344 77.420 3.311 9.865 1.00 0.00 C ATOM 229 CG GLN A 344 78.220 2.591 8.792 1.00 0.00 C ATOM 230 CD GLN A 344 79.691 2.470 9.141 1.00 0.00 C ATOM 231 OE1 GLN A 344 80.294 3.402 9.672 1.00 0.00 O ATOM 232 NE2 GLN A 344 80.277 1.316 8.842 1.00 0.00 N ATOM 0 HA GLN A 344 76.086 2.857 11.490 1.00 0.00 H new ATOM 0 HB2 GLN A 344 76.953 4.193 9.427 1.00 0.00 H new ATOM 0 HB3 GLN A 344 78.102 3.663 10.639 1.00 0.00 H new ATOM 0 HG2 GLN A 344 77.804 1.595 8.641 1.00 0.00 H new ATOM 0 HG3 GLN A 344 78.118 3.126 7.848 1.00 0.00 H new ATOM 0 HE21 GLN A 344 79.739 0.570 8.402 1.00 0.00 H new ATOM 0 HE22 GLN A 344 81.265 1.176 9.053 1.00 0.00 H new ATOM 241 N VAL A 345 74.570 3.648 9.375 1.00 0.00 N ATOM 242 CA VAL A 345 73.372 3.811 8.559 1.00 0.00 C ATOM 243 C VAL A 345 73.735 4.177 7.121 1.00 0.00 C ATOM 244 O VAL A 345 74.692 4.915 6.884 1.00 0.00 O ATOM 245 CB VAL A 345 72.443 4.893 9.148 1.00 0.00 C ATOM 246 CG1 VAL A 345 71.217 5.093 8.271 1.00 0.00 C ATOM 247 CG2 VAL A 345 72.035 4.529 10.568 1.00 0.00 C ATOM 0 H VAL A 345 74.970 4.524 9.711 1.00 0.00 H new ATOM 0 HA VAL A 345 72.846 2.856 8.559 1.00 0.00 H new ATOM 0 HB VAL A 345 72.992 5.834 9.177 1.00 0.00 H new ATOM 0 HG11 VAL A 345 70.578 5.861 8.708 1.00 0.00 H new ATOM 0 HG12 VAL A 345 71.529 5.405 7.274 1.00 0.00 H new ATOM 0 HG13 VAL A 345 70.663 4.157 8.201 1.00 0.00 H new ATOM 0 HG21 VAL A 345 71.380 5.303 10.968 1.00 0.00 H new ATOM 0 HG22 VAL A 345 71.508 3.575 10.562 1.00 0.00 H new ATOM 0 HG23 VAL A 345 72.925 4.448 11.193 1.00 0.00 H new ATOM 257 N CYS A 346 72.966 3.648 6.165 1.00 0.00 N ATOM 258 CA CYS A 346 73.198 3.907 4.740 1.00 0.00 C ATOM 259 C CYS A 346 73.653 5.347 4.495 1.00 0.00 C ATOM 260 O CYS A 346 72.940 6.296 4.817 1.00 0.00 O ATOM 261 CB CYS A 346 71.926 3.623 3.934 1.00 0.00 C ATOM 262 SG CYS A 346 72.137 3.835 2.134 1.00 0.00 S ATOM 0 H CYS A 346 72.173 3.034 6.353 1.00 0.00 H new ATOM 0 HA CYS A 346 73.994 3.239 4.411 1.00 0.00 H new ATOM 0 HB2 CYS A 346 71.599 2.603 4.135 1.00 0.00 H new ATOM 0 HB3 CYS A 346 71.132 4.286 4.279 1.00 0.00 H new ATOM 0 HG CYS A 346 71.198 3.189 1.508 1.00 0.00 H new ATOM 267 N ASN A 347 74.847 5.500 3.926 1.00 0.00 N ATOM 268 CA ASN A 347 75.398 6.823 3.643 1.00 0.00 C ATOM 269 C ASN A 347 74.591 7.546 2.565 1.00 0.00 C ATOM 270 O ASN A 347 74.674 8.767 2.432 1.00 0.00 O ATOM 271 CB ASN A 347 76.864 6.713 3.209 1.00 0.00 C ATOM 272 CG ASN A 347 77.816 6.695 4.389 1.00 0.00 C ATOM 273 OD1 ASN A 347 77.541 5.831 5.359 1.00 0.00 O flip ATOM 274 ND2 ASN A 347 78.788 7.449 4.429 1.00 0.00 N flip ATOM 0 H ASN A 347 75.451 4.725 3.652 1.00 0.00 H new ATOM 0 HA ASN A 347 75.339 7.406 4.562 1.00 0.00 H new ATOM 0 HB2 ASN A 347 76.999 5.804 2.623 1.00 0.00 H new ATOM 0 HB3 ASN A 347 77.112 7.552 2.559 1.00 0.00 H new ATOM 0 HD21 ASN A 347 78.962 8.098 3.661 1.00 0.00 H new ATOM 0 HD22 ASN A 347 79.419 7.425 5.230 1.00 0.00 H new ATOM 281 N VAL A 348 73.818 6.789 1.792 1.00 0.00 N ATOM 282 CA VAL A 348 73.009 7.365 0.722 1.00 0.00 C ATOM 283 C VAL A 348 71.636 7.816 1.228 1.00 0.00 C ATOM 284 O VAL A 348 71.426 8.999 1.495 1.00 0.00 O ATOM 285 CB VAL A 348 72.829 6.367 -0.441 1.00 0.00 C ATOM 286 CG1 VAL A 348 72.059 7.007 -1.586 1.00 0.00 C ATOM 287 CG2 VAL A 348 74.182 5.860 -0.918 1.00 0.00 C ATOM 0 H VAL A 348 73.735 5.777 1.886 1.00 0.00 H new ATOM 0 HA VAL A 348 73.547 8.241 0.359 1.00 0.00 H new ATOM 0 HB VAL A 348 72.251 5.517 -0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 348 71.944 6.286 -2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 348 71.075 7.318 -1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 348 72.605 7.877 -1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 348 74.038 5.157 -1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 348 74.785 6.701 -1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 348 74.693 5.359 -0.096 1.00 0.00 H new ATOM 297 N CYS A 349 70.701 6.874 1.346 1.00 0.00 N ATOM 298 CA CYS A 349 69.351 7.190 1.806 1.00 0.00 C ATOM 299 C CYS A 349 69.253 7.163 3.332 1.00 0.00 C ATOM 300 O CYS A 349 68.312 7.709 3.906 1.00 0.00 O ATOM 301 CB CYS A 349 68.342 6.213 1.197 1.00 0.00 C ATOM 302 SG CYS A 349 68.449 4.515 1.853 1.00 0.00 S ATOM 0 H CYS A 349 70.854 5.889 1.130 1.00 0.00 H new ATOM 0 HA CYS A 349 69.118 8.202 1.475 1.00 0.00 H new ATOM 0 HB2 CYS A 349 67.336 6.594 1.370 1.00 0.00 H new ATOM 0 HB3 CYS A 349 68.490 6.183 0.117 1.00 0.00 H new ATOM 0 HG CYS A 349 69.694 4.141 1.888 1.00 0.00 H new ATOM 307 N GLN A 350 70.231 6.529 3.979 1.00 0.00 N ATOM 308 CA GLN A 350 70.270 6.427 5.441 1.00 0.00 C ATOM 309 C GLN A 350 68.912 6.036 6.030 1.00 0.00 C ATOM 310 O GLN A 350 68.001 6.858 6.122 1.00 0.00 O ATOM 311 CB GLN A 350 70.750 7.745 6.062 1.00 0.00 C ATOM 312 CG GLN A 350 70.000 8.974 5.574 1.00 0.00 C ATOM 313 CD GLN A 350 70.412 10.236 6.308 1.00 0.00 C ATOM 314 OE1 GLN A 350 70.262 10.336 7.526 1.00 0.00 O ATOM 315 NE2 GLN A 350 70.933 11.207 5.568 1.00 0.00 N ATOM 0 H GLN A 350 71.014 6.074 3.510 1.00 0.00 H new ATOM 0 HA GLN A 350 70.977 5.634 5.685 1.00 0.00 H new ATOM 0 HB2 GLN A 350 70.652 7.680 7.146 1.00 0.00 H new ATOM 0 HB3 GLN A 350 71.811 7.871 5.845 1.00 0.00 H new ATOM 0 HG2 GLN A 350 70.178 9.104 4.507 1.00 0.00 H new ATOM 0 HG3 GLN A 350 68.929 8.817 5.702 1.00 0.00 H new ATOM 0 HE21 GLN A 350 71.039 11.080 4.561 1.00 0.00 H new ATOM 0 HE22 GLN A 350 71.228 12.080 6.006 1.00 0.00 H new ATOM 324 N LYS A 351 68.792 4.776 6.444 1.00 0.00 N ATOM 325 CA LYS A 351 67.554 4.279 7.039 1.00 0.00 C ATOM 326 C LYS A 351 67.841 3.527 8.340 1.00 0.00 C ATOM 327 O LYS A 351 68.923 3.652 8.912 1.00 0.00 O ATOM 328 CB LYS A 351 66.805 3.378 6.047 1.00 0.00 C ATOM 329 CG LYS A 351 67.333 1.949 5.977 1.00 0.00 C ATOM 330 CD LYS A 351 66.336 0.950 6.550 1.00 0.00 C ATOM 331 CE LYS A 351 65.965 -0.116 5.530 1.00 0.00 C ATOM 332 NZ LYS A 351 64.978 0.387 4.535 1.00 0.00 N ATOM 0 H LYS A 351 69.536 4.082 6.378 1.00 0.00 H new ATOM 0 HA LYS A 351 66.920 5.134 7.274 1.00 0.00 H new ATOM 0 HB2 LYS A 351 65.751 3.351 6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 351 66.863 3.824 5.054 1.00 0.00 H new ATOM 0 HG2 LYS A 351 67.550 1.692 4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 351 68.272 1.881 6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 351 66.762 0.476 7.434 1.00 0.00 H new ATOM 0 HD3 LYS A 351 65.437 1.476 6.872 1.00 0.00 H new ATOM 0 HE2 LYS A 351 66.864 -0.451 5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 351 65.552 -0.983 6.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 64.751 -0.369 3.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 64.110 0.684 5.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 65.382 1.199 4.025 1.00 0.00 H new ATOM 346 N SER A 352 66.868 2.747 8.802 1.00 0.00 N ATOM 347 CA SER A 352 67.021 1.979 10.035 1.00 0.00 C ATOM 348 C SER A 352 67.581 0.586 9.752 1.00 0.00 C ATOM 349 O SER A 352 67.107 -0.409 10.302 1.00 0.00 O ATOM 350 CB SER A 352 65.677 1.865 10.757 1.00 0.00 C ATOM 351 OG SER A 352 65.834 1.279 12.038 1.00 0.00 O ATOM 0 H SER A 352 65.965 2.630 8.342 1.00 0.00 H new ATOM 0 HA SER A 352 67.728 2.507 10.674 1.00 0.00 H new ATOM 0 HB2 SER A 352 65.230 2.854 10.858 1.00 0.00 H new ATOM 0 HB3 SER A 352 64.990 1.264 10.161 1.00 0.00 H new ATOM 0 HG SER A 352 66.330 0.438 11.954 1.00 0.00 H new ATOM 357 N MET A 353 68.592 0.523 8.891 1.00 0.00 N ATOM 358 CA MET A 353 69.222 -0.730 8.529 1.00 0.00 C ATOM 359 C MET A 353 70.622 -0.797 9.141 1.00 0.00 C ATOM 360 O MET A 353 71.146 0.219 9.596 1.00 0.00 O ATOM 361 CB MET A 353 69.303 -0.813 7.003 1.00 0.00 C ATOM 362 CG MET A 353 70.120 -1.979 6.498 1.00 0.00 C ATOM 363 SD MET A 353 69.805 -2.359 4.764 1.00 0.00 S ATOM 364 CE MET A 353 68.570 -3.647 4.919 1.00 0.00 C ATOM 0 H MET A 353 68.992 1.340 8.429 1.00 0.00 H new ATOM 0 HA MET A 353 68.639 -1.569 8.909 1.00 0.00 H new ATOM 0 HB2 MET A 353 68.294 -0.887 6.598 1.00 0.00 H new ATOM 0 HB3 MET A 353 69.733 0.113 6.620 1.00 0.00 H new ATOM 0 HG2 MET A 353 71.179 -1.758 6.629 1.00 0.00 H new ATOM 0 HG3 MET A 353 69.901 -2.859 7.103 1.00 0.00 H new ATOM 0 HE1 MET A 353 68.273 -3.987 3.927 1.00 0.00 H new ATOM 0 HE2 MET A 353 68.986 -4.484 5.480 1.00 0.00 H new ATOM 0 HE3 MET A 353 67.699 -3.255 5.444 1.00 0.00 H new ATOM 374 N ILE A 354 71.260 -1.964 9.084 1.00 0.00 N ATOM 375 CA ILE A 354 72.597 -2.098 9.553 1.00 0.00 C ATOM 376 C ILE A 354 73.347 -2.948 8.580 1.00 0.00 C ATOM 377 O ILE A 354 73.427 -4.173 8.661 1.00 0.00 O ATOM 378 CB ILE A 354 72.672 -2.717 10.944 1.00 0.00 C ATOM 379 CG1 ILE A 354 74.112 -2.707 11.459 1.00 0.00 C ATOM 380 CG2 ILE A 354 72.111 -4.133 10.936 1.00 0.00 C ATOM 381 CD1 ILE A 354 74.220 -2.418 12.941 1.00 0.00 C ATOM 0 H ILE A 354 70.852 -2.822 8.712 1.00 0.00 H new ATOM 0 HA ILE A 354 73.035 -1.103 9.630 1.00 0.00 H new ATOM 0 HB ILE A 354 72.063 -2.116 11.619 1.00 0.00 H new ATOM 0 HG12 ILE A 354 74.571 -3.674 11.251 1.00 0.00 H new ATOM 0 HG13 ILE A 354 74.682 -1.958 10.908 1.00 0.00 H new ATOM 0 HG21 ILE A 354 72.175 -4.555 11.939 1.00 0.00 H new ATOM 0 HG22 ILE A 354 71.069 -4.110 10.618 1.00 0.00 H new ATOM 0 HG23 ILE A 354 72.688 -4.749 10.246 1.00 0.00 H new ATOM 0 HD11 ILE A 354 75.269 -2.426 13.238 1.00 0.00 H new ATOM 0 HD12 ILE A 354 73.791 -1.439 13.153 1.00 0.00 H new ATOM 0 HD13 ILE A 354 73.678 -3.180 13.501 1.00 0.00 H new ATOM 393 N PHE A 355 73.903 -2.234 7.690 1.00 0.00 N ATOM 394 CA PHE A 355 74.724 -2.778 6.626 1.00 0.00 C ATOM 395 C PHE A 355 75.941 -1.899 6.400 1.00 0.00 C ATOM 396 O PHE A 355 75.803 -0.709 6.114 1.00 0.00 O ATOM 397 CB PHE A 355 73.914 -2.899 5.334 1.00 0.00 C ATOM 398 CG PHE A 355 73.295 -4.254 5.140 1.00 0.00 C ATOM 399 CD1 PHE A 355 72.163 -4.621 5.849 1.00 0.00 C ATOM 400 CD2 PHE A 355 73.846 -5.160 4.248 1.00 0.00 C ATOM 401 CE1 PHE A 355 71.592 -5.867 5.673 1.00 0.00 C ATOM 402 CE2 PHE A 355 73.279 -6.407 4.067 1.00 0.00 C ATOM 403 CZ PHE A 355 72.151 -6.761 4.781 1.00 0.00 C ATOM 0 H PHE A 355 73.813 -1.218 7.657 1.00 0.00 H new ATOM 0 HA PHE A 355 75.058 -3.773 6.921 1.00 0.00 H new ATOM 0 HB2 PHE A 355 73.126 -2.145 5.336 1.00 0.00 H new ATOM 0 HB3 PHE A 355 74.563 -2.680 4.486 1.00 0.00 H new ATOM 0 HD1 PHE A 355 71.722 -3.925 6.547 1.00 0.00 H new ATOM 0 HD2 PHE A 355 74.729 -4.888 3.688 1.00 0.00 H new ATOM 0 HE1 PHE A 355 70.710 -6.141 6.232 1.00 0.00 H new ATOM 0 HE2 PHE A 355 73.717 -7.104 3.368 1.00 0.00 H new ATOM 0 HZ PHE A 355 71.707 -7.736 4.642 1.00 0.00 H new ATOM 413 N GLY A 356 77.131 -2.475 6.503 1.00 0.00 N ATOM 414 CA GLY A 356 78.325 -1.689 6.272 1.00 0.00 C ATOM 415 C GLY A 356 79.131 -2.217 5.129 1.00 0.00 C ATOM 416 O GLY A 356 79.832 -3.216 5.241 1.00 0.00 O ATOM 0 H GLY A 356 77.290 -3.455 6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 356 78.045 -0.655 6.071 1.00 0.00 H new ATOM 0 HA3 GLY A 356 78.936 -1.684 7.175 1.00 0.00 H new ATOM 420 N VAL A 357 79.031 -1.526 4.033 1.00 0.00 N ATOM 421 CA VAL A 357 79.750 -1.904 2.831 1.00 0.00 C ATOM 422 C VAL A 357 80.760 -0.842 2.437 1.00 0.00 C ATOM 423 O VAL A 357 80.459 0.352 2.429 1.00 0.00 O ATOM 424 CB VAL A 357 78.798 -2.186 1.646 1.00 0.00 C ATOM 425 CG1 VAL A 357 77.648 -3.076 2.090 1.00 0.00 C ATOM 426 CG2 VAL A 357 78.272 -0.893 1.042 1.00 0.00 C ATOM 0 H VAL A 357 78.456 -0.689 3.936 1.00 0.00 H new ATOM 0 HA VAL A 357 80.279 -2.828 3.066 1.00 0.00 H new ATOM 0 HB VAL A 357 79.365 -2.707 0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 357 76.987 -3.265 1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 357 78.042 -4.022 2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 357 77.089 -2.580 2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 357 77.605 -1.124 0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 357 77.725 -0.333 1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 357 79.108 -0.294 0.681 1.00 0.00 H new ATOM 436 N LYS A 358 81.960 -1.289 2.106 1.00 0.00 N ATOM 437 CA LYS A 358 83.022 -0.389 1.704 1.00 0.00 C ATOM 438 C LYS A 358 83.653 -0.862 0.406 1.00 0.00 C ATOM 439 O LYS A 358 84.062 -2.020 0.289 1.00 0.00 O ATOM 440 CB LYS A 358 84.085 -0.293 2.800 1.00 0.00 C ATOM 441 CG LYS A 358 85.225 0.654 2.461 1.00 0.00 C ATOM 442 CD LYS A 358 86.527 -0.096 2.232 1.00 0.00 C ATOM 443 CE LYS A 358 87.733 0.761 2.584 1.00 0.00 C ATOM 444 NZ LYS A 358 88.858 -0.056 3.117 1.00 0.00 N ATOM 0 H LYS A 358 82.221 -2.275 2.109 1.00 0.00 H new ATOM 0 HA LYS A 358 82.593 0.600 1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 358 83.612 0.037 3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 358 84.493 -1.286 2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 358 84.971 1.224 1.568 1.00 0.00 H new ATOM 0 HG3 LYS A 358 85.356 1.372 3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 358 86.536 -1.004 2.835 1.00 0.00 H new ATOM 0 HD3 LYS A 358 86.591 -0.406 1.189 1.00 0.00 H new ATOM 0 HE2 LYS A 358 88.065 1.302 1.698 1.00 0.00 H new ATOM 0 HE3 LYS A 358 87.444 1.508 3.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 358 89.762 0.390 2.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 358 88.782 -0.117 4.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 358 88.816 -1.012 2.710 1.00 0.00 H new ATOM 458 N CYS A 359 83.728 0.039 -0.565 1.00 0.00 N ATOM 459 CA CYS A 359 84.321 -0.283 -1.855 1.00 0.00 C ATOM 460 C CYS A 359 85.734 0.270 -1.920 1.00 0.00 C ATOM 461 O CYS A 359 85.971 1.423 -1.558 1.00 0.00 O ATOM 462 CB CYS A 359 83.478 0.279 -3.006 1.00 0.00 C ATOM 463 SG CYS A 359 83.598 2.087 -3.228 1.00 0.00 S ATOM 0 H CYS A 359 83.386 0.997 -0.484 1.00 0.00 H new ATOM 0 HA CYS A 359 84.351 -1.367 -1.961 1.00 0.00 H new ATOM 0 HB2 CYS A 359 83.782 -0.208 -3.932 1.00 0.00 H new ATOM 0 HB3 CYS A 359 82.434 0.016 -2.836 1.00 0.00 H new ATOM 0 HG CYS A 359 83.640 2.367 -4.497 1.00 0.00 H new ATOM 468 N LYS A 360 86.669 -0.547 -2.386 1.00 0.00 N ATOM 469 CA LYS A 360 88.023 -0.145 -2.502 1.00 0.00 C ATOM 470 C LYS A 360 88.194 0.743 -3.713 1.00 0.00 C ATOM 471 O LYS A 360 87.224 1.212 -4.308 1.00 0.00 O ATOM 472 CB LYS A 360 88.898 -1.392 -2.606 1.00 0.00 C ATOM 473 CG LYS A 360 89.666 -1.714 -1.334 1.00 0.00 C ATOM 474 CD LYS A 360 88.747 -1.772 -0.125 1.00 0.00 C ATOM 475 CE LYS A 360 87.773 -2.935 -0.220 1.00 0.00 C ATOM 476 NZ LYS A 360 88.443 -4.242 0.025 1.00 0.00 N ATOM 0 H LYS A 360 86.488 -1.504 -2.689 1.00 0.00 H new ATOM 0 HA LYS A 360 88.323 0.427 -1.624 1.00 0.00 H new ATOM 0 HB2 LYS A 360 88.270 -2.244 -2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 360 89.607 -1.259 -3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 360 90.177 -2.670 -1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 360 90.435 -0.959 -1.171 1.00 0.00 H new ATOM 0 HD2 LYS A 360 89.343 -1.869 0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 360 88.192 -0.837 -0.043 1.00 0.00 H new ATOM 0 HE2 LYS A 360 86.971 -2.797 0.505 1.00 0.00 H new ATOM 0 HE3 LYS A 360 87.312 -2.943 -1.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 360 87.731 -5.000 0.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 360 89.133 -4.425 -0.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 360 88.933 -4.215 0.942 1.00 0.00 H new ATOM 490 N HIS A 361 89.433 0.968 -4.055 1.00 0.00 N ATOM 491 CA HIS A 361 89.796 1.810 -5.194 1.00 0.00 C ATOM 492 C HIS A 361 89.438 3.278 -4.938 1.00 0.00 C ATOM 493 O HIS A 361 90.138 4.183 -5.393 1.00 0.00 O ATOM 494 CB HIS A 361 89.104 1.316 -6.467 1.00 0.00 C ATOM 495 CG HIS A 361 90.014 0.566 -7.390 1.00 0.00 C ATOM 496 ND1 HIS A 361 89.759 0.409 -8.736 1.00 0.00 N ATOM 497 CD2 HIS A 361 91.185 -0.072 -7.154 1.00 0.00 C ATOM 498 CE1 HIS A 361 90.732 -0.293 -9.288 1.00 0.00 C ATOM 499 NE2 HIS A 361 91.610 -0.597 -8.350 1.00 0.00 N ATOM 0 H HIS A 361 90.233 0.577 -3.558 1.00 0.00 H new ATOM 0 HA HIS A 361 90.876 1.741 -5.326 1.00 0.00 H new ATOM 0 HB2 HIS A 361 88.269 0.672 -6.190 1.00 0.00 H new ATOM 0 HB3 HIS A 361 88.685 2.171 -6.998 1.00 0.00 H new ATOM 0 HD2 HIS A 361 91.690 -0.153 -6.203 1.00 0.00 H new ATOM 0 HE1 HIS A 361 90.798 -0.571 -10.329 1.00 0.00 H new ATOM 0 HE2 HIS A 361 92.465 -1.135 -8.491 1.00 0.00 H new ATOM 508 N CYS A 362 88.340 3.506 -4.219 1.00 0.00 N ATOM 509 CA CYS A 362 87.883 4.857 -3.914 1.00 0.00 C ATOM 510 C CYS A 362 87.606 5.019 -2.420 1.00 0.00 C ATOM 511 O CYS A 362 87.896 6.064 -1.837 1.00 0.00 O ATOM 512 CB CYS A 362 86.610 5.185 -4.706 1.00 0.00 C ATOM 513 SG CYS A 362 86.202 3.992 -6.026 1.00 0.00 S ATOM 0 H CYS A 362 87.749 2.768 -3.836 1.00 0.00 H new ATOM 0 HA CYS A 362 88.676 5.547 -4.201 1.00 0.00 H new ATOM 0 HB2 CYS A 362 85.771 5.239 -4.012 1.00 0.00 H new ATOM 0 HB3 CYS A 362 86.720 6.174 -5.151 1.00 0.00 H new ATOM 0 HG CYS A 362 84.949 3.658 -5.937 1.00 0.00 H new ATOM 518 N ARG A 363 87.030 3.981 -1.812 1.00 0.00 N ATOM 519 CA ARG A 363 86.695 3.998 -0.388 1.00 0.00 C ATOM 520 C ARG A 363 85.387 4.749 -0.154 1.00 0.00 C ATOM 521 O ARG A 363 85.387 5.890 0.310 1.00 0.00 O ATOM 522 CB ARG A 363 87.821 4.634 0.434 1.00 0.00 C ATOM 523 CG ARG A 363 87.819 4.215 1.895 1.00 0.00 C ATOM 524 CD ARG A 363 87.071 5.216 2.761 1.00 0.00 C ATOM 525 NE ARG A 363 87.388 5.059 4.178 1.00 0.00 N ATOM 526 CZ ARG A 363 86.715 5.655 5.159 1.00 0.00 C ATOM 527 NH1 ARG A 363 85.688 6.449 4.882 1.00 0.00 N ATOM 528 NH2 ARG A 363 87.070 5.458 6.422 1.00 0.00 N ATOM 0 H ARG A 363 86.785 3.113 -2.288 1.00 0.00 H new ATOM 0 HA ARG A 363 86.572 2.966 -0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 363 88.780 4.367 -0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 363 87.734 5.719 0.376 1.00 0.00 H new ATOM 0 HG2 ARG A 363 87.358 3.232 1.992 1.00 0.00 H new ATOM 0 HG3 ARG A 363 88.846 4.122 2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 363 87.322 6.228 2.444 1.00 0.00 H new ATOM 0 HD3 ARG A 363 85.998 5.092 2.614 1.00 0.00 H new ATOM 0 HE ARG A 363 88.172 4.457 4.431 1.00 0.00 H new ATOM 0 HH11 ARG A 363 85.411 6.605 3.913 1.00 0.00 H new ATOM 0 HH12 ARG A 363 85.176 6.903 5.638 1.00 0.00 H new ATOM 0 HH21 ARG A 363 87.859 4.850 6.641 1.00 0.00 H new ATOM 0 HH22 ARG A 363 86.554 5.915 7.174 1.00 0.00 H new ATOM 542 N LEU A 364 84.273 4.100 -0.483 1.00 0.00 N ATOM 543 CA LEU A 364 82.953 4.705 -0.315 1.00 0.00 C ATOM 544 C LEU A 364 82.063 3.843 0.577 1.00 0.00 C ATOM 545 O LEU A 364 82.369 2.679 0.833 1.00 0.00 O ATOM 546 CB LEU A 364 82.286 4.900 -1.679 1.00 0.00 C ATOM 547 CG LEU A 364 81.407 6.146 -1.802 1.00 0.00 C ATOM 548 CD1 LEU A 364 82.203 7.306 -2.379 1.00 0.00 C ATOM 549 CD2 LEU A 364 80.187 5.855 -2.664 1.00 0.00 C ATOM 0 H LEU A 364 84.257 3.155 -0.867 1.00 0.00 H new ATOM 0 HA LEU A 364 83.085 5.675 0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 364 83.063 4.946 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 364 81.677 4.022 -1.897 1.00 0.00 H new ATOM 0 HG LEU A 364 81.066 6.426 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 364 81.561 8.183 -2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 364 83.045 7.531 -1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 364 82.574 7.036 -3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 364 79.573 6.752 -2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 364 80.509 5.550 -3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 364 79.604 5.054 -2.210 1.00 0.00 H new ATOM 561 N LYS A 365 80.956 4.420 1.044 1.00 0.00 N ATOM 562 CA LYS A 365 80.022 3.699 1.899 1.00 0.00 C ATOM 563 C LYS A 365 78.604 3.802 1.345 1.00 0.00 C ATOM 564 O LYS A 365 78.174 4.871 0.912 1.00 0.00 O ATOM 565 CB LYS A 365 80.072 4.251 3.325 1.00 0.00 C ATOM 566 CG LYS A 365 79.116 3.558 4.280 1.00 0.00 C ATOM 567 CD LYS A 365 79.534 2.120 4.539 1.00 0.00 C ATOM 568 CE LYS A 365 79.087 1.652 5.914 1.00 0.00 C ATOM 569 NZ LYS A 365 77.603 1.613 6.031 1.00 0.00 N ATOM 0 H LYS A 365 80.687 5.383 0.843 1.00 0.00 H new ATOM 0 HA LYS A 365 80.313 2.649 1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 365 81.088 4.154 3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 365 79.840 5.316 3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 365 79.082 4.104 5.223 1.00 0.00 H new ATOM 0 HG3 LYS A 365 78.108 3.576 3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 365 79.105 1.472 3.775 1.00 0.00 H new ATOM 0 HD3 LYS A 365 80.618 2.034 4.458 1.00 0.00 H new ATOM 0 HE2 LYS A 365 79.493 0.660 6.110 1.00 0.00 H new ATOM 0 HE3 LYS A 365 79.494 2.318 6.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 77.333 0.991 6.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 77.243 2.573 6.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 77.195 1.249 5.147 1.00 0.00 H new ATOM 583 N CYS A 366 77.886 2.683 1.348 1.00 0.00 N ATOM 584 CA CYS A 366 76.523 2.649 0.829 1.00 0.00 C ATOM 585 C CYS A 366 75.725 1.496 1.432 1.00 0.00 C ATOM 586 O CYS A 366 76.291 0.566 2.000 1.00 0.00 O ATOM 587 CB CYS A 366 76.539 2.529 -0.696 1.00 0.00 C ATOM 588 SG CYS A 366 77.281 0.998 -1.308 1.00 0.00 S ATOM 0 H CYS A 366 78.225 1.789 1.704 1.00 0.00 H new ATOM 0 HA CYS A 366 76.037 3.583 1.112 1.00 0.00 H new ATOM 0 HB2 CYS A 366 75.516 2.598 -1.066 1.00 0.00 H new ATOM 0 HB3 CYS A 366 77.085 3.376 -1.111 1.00 0.00 H new ATOM 0 HG CYS A 366 78.461 1.251 -1.791 1.00 0.00 H new ATOM 594 N HIS A 367 74.403 1.568 1.301 1.00 0.00 N ATOM 595 CA HIS A 367 73.510 0.529 1.817 1.00 0.00 C ATOM 596 C HIS A 367 73.983 -0.859 1.393 1.00 0.00 C ATOM 597 O HIS A 367 75.008 -1.000 0.727 1.00 0.00 O ATOM 598 CB HIS A 367 72.098 0.755 1.275 1.00 0.00 C ATOM 599 CG HIS A 367 71.060 0.948 2.330 1.00 0.00 C ATOM 600 ND1 HIS A 367 70.082 1.895 2.187 1.00 0.00 N ATOM 601 CD2 HIS A 367 70.888 0.304 3.507 1.00 0.00 C ATOM 602 CE1 HIS A 367 69.335 1.811 3.270 1.00 0.00 C ATOM 603 NE2 HIS A 367 69.783 0.859 4.103 1.00 0.00 N ATOM 0 H HIS A 367 73.922 2.340 0.839 1.00 0.00 H new ATOM 0 HA HIS A 367 73.514 0.586 2.905 1.00 0.00 H new ATOM 0 HB2 HIS A 367 72.106 1.630 0.625 1.00 0.00 H new ATOM 0 HB3 HIS A 367 71.817 -0.098 0.657 1.00 0.00 H new ATOM 0 HD2 HIS A 367 71.501 -0.493 3.901 1.00 0.00 H new ATOM 0 HE1 HIS A 367 68.471 2.430 3.463 1.00 0.00 H new ATOM 0 HE2 HIS A 367 69.381 0.599 5.003 1.00 0.00 H new ATOM 611 N ASN A 368 73.209 -1.883 1.747 1.00 0.00 N ATOM 612 CA ASN A 368 73.544 -3.251 1.362 1.00 0.00 C ATOM 613 C ASN A 368 73.856 -3.299 -0.132 1.00 0.00 C ATOM 614 O ASN A 368 74.647 -4.121 -0.594 1.00 0.00 O ATOM 615 CB ASN A 368 72.387 -4.198 1.691 1.00 0.00 C ATOM 616 CG ASN A 368 71.128 -3.866 0.914 1.00 0.00 C ATOM 617 OD1 ASN A 368 70.513 -2.820 1.122 1.00 0.00 O ATOM 618 ND2 ASN A 368 70.736 -4.760 0.013 1.00 0.00 N ATOM 0 H ASN A 368 72.353 -1.793 2.295 1.00 0.00 H new ATOM 0 HA ASN A 368 74.421 -3.573 1.923 1.00 0.00 H new ATOM 0 HB2 ASN A 368 72.686 -5.223 1.471 1.00 0.00 H new ATOM 0 HB3 ASN A 368 72.175 -4.150 2.759 1.00 0.00 H new ATOM 0 HD21 ASN A 368 69.895 -4.593 -0.539 1.00 0.00 H new ATOM 0 HD22 ASN A 368 71.276 -5.614 -0.127 1.00 0.00 H new ATOM 625 N LYS A 369 73.231 -2.385 -0.871 1.00 0.00 N ATOM 626 CA LYS A 369 73.429 -2.273 -2.306 1.00 0.00 C ATOM 627 C LYS A 369 73.138 -0.845 -2.760 1.00 0.00 C ATOM 628 O LYS A 369 74.051 -0.100 -3.115 1.00 0.00 O ATOM 629 CB LYS A 369 72.531 -3.264 -3.053 1.00 0.00 C ATOM 630 CG LYS A 369 72.848 -3.377 -4.536 1.00 0.00 C ATOM 631 CD LYS A 369 74.341 -3.539 -4.777 1.00 0.00 C ATOM 632 CE LYS A 369 74.619 -4.314 -6.055 1.00 0.00 C ATOM 633 NZ LYS A 369 74.196 -5.737 -5.945 1.00 0.00 N ATOM 0 H LYS A 369 72.575 -1.704 -0.488 1.00 0.00 H new ATOM 0 HA LYS A 369 74.467 -2.513 -2.536 1.00 0.00 H new ATOM 0 HB2 LYS A 369 72.629 -4.247 -2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 369 71.491 -2.959 -2.935 1.00 0.00 H new ATOM 0 HG2 LYS A 369 72.316 -4.229 -4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 369 72.489 -2.488 -5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 369 74.809 -2.557 -4.837 1.00 0.00 H new ATOM 0 HD3 LYS A 369 74.793 -4.057 -3.931 1.00 0.00 H new ATOM 0 HE2 LYS A 369 74.095 -3.843 -6.886 1.00 0.00 H new ATOM 0 HE3 LYS A 369 75.684 -4.268 -6.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 74.738 -6.313 -6.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 74.373 -6.078 -4.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 73.181 -5.815 -6.160 1.00 0.00 H new ATOM 647 N CYS A 370 71.856 -0.469 -2.729 1.00 0.00 N ATOM 648 CA CYS A 370 71.415 0.875 -3.120 1.00 0.00 C ATOM 649 C CYS A 370 72.224 1.423 -4.295 1.00 0.00 C ATOM 650 O CYS A 370 72.456 2.628 -4.394 1.00 0.00 O ATOM 651 CB CYS A 370 71.520 1.830 -1.930 1.00 0.00 C ATOM 652 SG CYS A 370 70.005 1.929 -0.915 1.00 0.00 S ATOM 0 H CYS A 370 71.097 -1.084 -2.434 1.00 0.00 H new ATOM 0 HA CYS A 370 70.376 0.797 -3.439 1.00 0.00 H new ATOM 0 HB2 CYS A 370 72.349 1.514 -1.296 1.00 0.00 H new ATOM 0 HB3 CYS A 370 71.763 2.827 -2.298 1.00 0.00 H new ATOM 0 HG CYS A 370 70.329 2.063 0.337 1.00 0.00 H new ATOM 657 N THR A 371 72.651 0.531 -5.178 1.00 0.00 N ATOM 658 CA THR A 371 73.435 0.922 -6.344 1.00 0.00 C ATOM 659 C THR A 371 72.675 1.930 -7.201 1.00 0.00 C ATOM 660 O THR A 371 73.275 2.795 -7.839 1.00 0.00 O ATOM 661 CB THR A 371 73.797 -0.307 -7.178 1.00 0.00 C ATOM 662 OG1 THR A 371 72.775 -1.285 -7.099 1.00 0.00 O ATOM 663 CG2 THR A 371 75.092 -0.961 -6.747 1.00 0.00 C ATOM 0 H THR A 371 72.468 -0.470 -5.110 1.00 0.00 H new ATOM 0 HA THR A 371 74.352 1.394 -5.991 1.00 0.00 H new ATOM 0 HB THR A 371 73.915 0.060 -8.198 1.00 0.00 H new ATOM 0 HG1 THR A 371 73.024 -2.063 -7.640 1.00 0.00 H new ATOM 0 HG21 THR A 371 75.290 -1.827 -7.379 1.00 0.00 H new ATOM 0 HG22 THR A 371 75.910 -0.247 -6.843 1.00 0.00 H new ATOM 0 HG23 THR A 371 75.010 -1.281 -5.708 1.00 0.00 H new ATOM 671 N LYS A 372 71.352 1.812 -7.210 1.00 0.00 N ATOM 672 CA LYS A 372 70.510 2.713 -7.988 1.00 0.00 C ATOM 673 C LYS A 372 70.365 4.062 -7.291 1.00 0.00 C ATOM 674 O LYS A 372 70.179 5.091 -7.942 1.00 0.00 O ATOM 675 CB LYS A 372 69.130 2.090 -8.210 1.00 0.00 C ATOM 676 CG LYS A 372 68.373 2.691 -9.384 1.00 0.00 C ATOM 677 CD LYS A 372 68.537 1.853 -10.641 1.00 0.00 C ATOM 678 CE LYS A 372 69.915 2.036 -11.257 1.00 0.00 C ATOM 679 NZ LYS A 372 70.846 0.940 -10.871 1.00 0.00 N ATOM 0 H LYS A 372 70.840 1.102 -6.688 1.00 0.00 H new ATOM 0 HA LYS A 372 70.989 2.874 -8.954 1.00 0.00 H new ATOM 0 HB2 LYS A 372 69.246 1.019 -8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 372 68.536 2.212 -7.304 1.00 0.00 H new ATOM 0 HG2 LYS A 372 67.315 2.770 -9.134 1.00 0.00 H new ATOM 0 HG3 LYS A 372 68.733 3.703 -9.571 1.00 0.00 H new ATOM 0 HD2 LYS A 372 68.381 0.801 -10.401 1.00 0.00 H new ATOM 0 HD3 LYS A 372 67.773 2.131 -11.367 1.00 0.00 H new ATOM 0 HE2 LYS A 372 69.826 2.071 -12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 372 70.330 2.993 -10.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 71.771 1.343 -10.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 70.457 0.425 -10.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 70.961 0.285 -11.670 1.00 0.00 H new ATOM 693 N GLU A 373 70.450 4.052 -5.965 1.00 0.00 N ATOM 694 CA GLU A 373 70.328 5.275 -5.181 1.00 0.00 C ATOM 695 C GLU A 373 71.683 5.956 -5.014 1.00 0.00 C ATOM 696 O GLU A 373 71.846 7.127 -5.357 1.00 0.00 O ATOM 697 CB GLU A 373 69.727 4.968 -3.808 1.00 0.00 C ATOM 698 CG GLU A 373 68.265 4.555 -3.862 1.00 0.00 C ATOM 699 CD GLU A 373 67.392 5.589 -4.546 1.00 0.00 C ATOM 700 OE1 GLU A 373 67.530 6.788 -4.224 1.00 0.00 O ATOM 701 OE2 GLU A 373 66.571 5.200 -5.403 1.00 0.00 O ATOM 0 H GLU A 373 70.603 3.210 -5.411 1.00 0.00 H new ATOM 0 HA GLU A 373 69.665 5.954 -5.718 1.00 0.00 H new ATOM 0 HB2 GLU A 373 70.304 4.171 -3.338 1.00 0.00 H new ATOM 0 HB3 GLU A 373 69.824 5.849 -3.173 1.00 0.00 H new ATOM 0 HG2 GLU A 373 68.179 3.605 -4.390 1.00 0.00 H new ATOM 0 HG3 GLU A 373 67.900 4.390 -2.848 1.00 0.00 H new ATOM 708 N ALA A 374 72.651 5.216 -4.483 1.00 0.00 N ATOM 709 CA ALA A 374 73.992 5.749 -4.269 1.00 0.00 C ATOM 710 C ALA A 374 74.593 6.272 -5.571 1.00 0.00 C ATOM 711 O ALA A 374 74.202 5.848 -6.659 1.00 0.00 O ATOM 712 CB ALA A 374 74.893 4.683 -3.663 1.00 0.00 C ATOM 0 H ALA A 374 72.532 4.245 -4.193 1.00 0.00 H new ATOM 0 HA ALA A 374 73.915 6.585 -3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 374 75.890 5.094 -3.509 1.00 0.00 H new ATOM 0 HB2 ALA A 374 74.482 4.360 -2.707 1.00 0.00 H new ATOM 0 HB3 ALA A 374 74.953 3.830 -4.339 1.00 0.00 H new ATOM 718 N PRO A 375 75.556 7.205 -5.476 1.00 0.00 N ATOM 719 CA PRO A 375 76.210 7.785 -6.651 1.00 0.00 C ATOM 720 C PRO A 375 77.205 6.824 -7.292 1.00 0.00 C ATOM 721 O PRO A 375 77.812 5.998 -6.610 1.00 0.00 O ATOM 722 CB PRO A 375 76.933 9.004 -6.081 1.00 0.00 C ATOM 723 CG PRO A 375 77.222 8.642 -4.666 1.00 0.00 C ATOM 724 CD PRO A 375 76.082 7.767 -4.216 1.00 0.00 C ATOM 0 HA PRO A 375 75.499 8.024 -7.442 1.00 0.00 H new ATOM 0 HB2 PRO A 375 77.850 9.214 -6.632 1.00 0.00 H new ATOM 0 HB3 PRO A 375 76.312 9.898 -6.143 1.00 0.00 H new ATOM 0 HG2 PRO A 375 78.173 8.115 -4.585 1.00 0.00 H new ATOM 0 HG3 PRO A 375 77.298 9.534 -4.044 1.00 0.00 H new ATOM 0 HD2 PRO A 375 76.421 6.983 -3.539 1.00 0.00 H new ATOM 0 HD3 PRO A 375 75.322 8.340 -3.685 1.00 0.00 H new ATOM 732 N ALA A 376 77.369 6.938 -8.606 1.00 0.00 N ATOM 733 CA ALA A 376 78.293 6.079 -9.337 1.00 0.00 C ATOM 734 C ALA A 376 79.711 6.209 -8.792 1.00 0.00 C ATOM 735 O ALA A 376 80.395 7.201 -9.045 1.00 0.00 O ATOM 736 CB ALA A 376 78.262 6.414 -10.820 1.00 0.00 C ATOM 0 H ALA A 376 76.875 7.616 -9.186 1.00 0.00 H new ATOM 0 HA ALA A 376 77.974 5.045 -9.202 1.00 0.00 H new ATOM 0 HB1 ALA A 376 78.956 5.765 -11.354 1.00 0.00 H new ATOM 0 HB2 ALA A 376 77.254 6.263 -11.206 1.00 0.00 H new ATOM 0 HB3 ALA A 376 78.553 7.454 -10.964 1.00 0.00 H new ATOM 742 N CYS A 377 80.147 5.202 -8.042 1.00 0.00 N ATOM 743 CA CYS A 377 81.484 5.204 -7.460 1.00 0.00 C ATOM 744 C CYS A 377 82.549 5.371 -8.540 1.00 0.00 C ATOM 745 O CYS A 377 82.574 4.628 -9.521 1.00 0.00 O ATOM 746 CB CYS A 377 81.728 3.908 -6.684 1.00 0.00 C ATOM 747 SG CYS A 377 82.804 4.105 -5.225 1.00 0.00 S ATOM 0 H CYS A 377 79.593 4.374 -7.823 1.00 0.00 H new ATOM 0 HA CYS A 377 81.552 6.049 -6.774 1.00 0.00 H new ATOM 0 HB2 CYS A 377 80.768 3.504 -6.362 1.00 0.00 H new ATOM 0 HB3 CYS A 377 82.174 3.174 -7.355 1.00 0.00 H new ATOM 0 HG CYS A 377 82.489 3.216 -4.330 1.00 0.00 H new