USER MOD reduce.3.24.130724 H: found=0, std=0, add=331, 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 3:sc= -6.99! USER MOD Set 1.2: A 349 CYS SG : rot 180:sc= -2.72 USER MOD Set 1.3: A 353 MET CE :methyl 175:sc= -8.3! (180deg=-5.23!) USER MOD Set 1.4: A 367 HIS : no HE2:sc= -13.2! C(o=-36!,f=-60!) USER MOD Set 1.5: A 368 ASN : amide:sc= -1.46 K(o=-36,f=-39) USER MOD Set 1.6: A 370 CYS SG : rot -179:sc= -2.87 USER MOD Set 2.1: A 334 HIS : no HE2:sc= -4.58! C(o=-6.7!,f=-11!) USER MOD Set 2.2: A 362 CYS SG : rot 126:sc= -2.16 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+ 151:sc= -0.29 (180deg=-1.39!) USER MOD Single : A 340 SER OG : rot 180:sc= 0 USER MOD Single : A 344 GLN :FLIP amide:sc= -1.71 F(o=-3.1,f=-1.7) USER MOD Single : A 347 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.17) USER MOD Single : A 350 GLN : amide:sc= -1.56 K(o=-1.6,f=-3.2) USER MOD Single : A 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 352 SER OG : rot 180:sc= 0.0636 USER MOD Single : A 358 LYS NZ :NH3+ 170:sc= -0.104 (180deg=-0.288) USER MOD Single : A 360 LYS NZ :NH3+ -176:sc= -1.51 (180deg=-1.85) USER MOD Single : A 361 HIS : no HD1:sc= -0.321 X(o=-0.32,f=-0.18) USER MOD Single : A 365 LYS NZ :NH3+ -152:sc= -0.203 (180deg=-1.1) USER MOD Single : A 366 CYS SG : rot -77:sc= -0.549 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+ 180:sc= -0.0238 (180deg=-0.0238) USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 334 81.998 0.913 -10.273 1.00 0.00 N ATOM 52 CA HIS A 334 83.048 0.922 -9.261 1.00 0.00 C ATOM 53 C HIS A 334 83.054 -0.391 -8.484 1.00 0.00 C ATOM 54 O HIS A 334 82.061 -1.118 -8.473 1.00 0.00 O ATOM 55 CB HIS A 334 82.859 2.106 -8.308 1.00 0.00 C ATOM 56 CG HIS A 334 82.551 3.395 -9.010 1.00 0.00 C ATOM 57 ND1 HIS A 334 82.253 4.542 -8.313 1.00 0.00 N ATOM 58 CD2 HIS A 334 82.500 3.660 -10.340 1.00 0.00 C ATOM 59 CE1 HIS A 334 82.027 5.470 -9.228 1.00 0.00 C ATOM 60 NE2 HIS A 334 82.164 4.982 -10.469 1.00 0.00 N ATOM 0 HA HIS A 334 84.010 1.029 -9.762 1.00 0.00 H new ATOM 0 HB2 HIS A 334 82.051 1.878 -7.613 1.00 0.00 H new ATOM 0 HB3 HIS A 334 83.764 2.232 -7.714 1.00 0.00 H new ATOM 0 HD1 HIS A 334 82.214 4.654 -7.300 1.00 0.00 H new ATOM 0 HD2 HIS A 334 82.688 2.963 -11.143 1.00 0.00 H new ATOM 0 HE1 HIS A 334 81.765 6.493 -9.003 1.00 0.00 H new ATOM 68 N ARG A 335 84.178 -0.697 -7.845 1.00 0.00 N ATOM 69 CA ARG A 335 84.304 -1.932 -7.079 1.00 0.00 C ATOM 70 C ARG A 335 83.967 -1.708 -5.609 1.00 0.00 C ATOM 71 O ARG A 335 84.652 -0.964 -4.908 1.00 0.00 O ATOM 72 CB ARG A 335 85.721 -2.495 -7.204 1.00 0.00 C ATOM 73 CG ARG A 335 86.259 -2.486 -8.626 1.00 0.00 C ATOM 74 CD ARG A 335 85.892 -3.761 -9.369 1.00 0.00 C ATOM 75 NE ARG A 335 85.656 -3.518 -10.790 1.00 0.00 N ATOM 76 CZ ARG A 335 84.525 -3.014 -11.278 1.00 0.00 C ATOM 77 NH1 ARG A 335 83.525 -2.698 -10.465 1.00 0.00 N ATOM 78 NH2 ARG A 335 84.393 -2.825 -12.584 1.00 0.00 N ATOM 0 H ARG A 335 85.012 -0.110 -7.842 1.00 0.00 H new ATOM 0 HA ARG A 335 83.594 -2.650 -7.489 1.00 0.00 H new ATOM 0 HB2 ARG A 335 86.390 -1.915 -6.568 1.00 0.00 H new ATOM 0 HB3 ARG A 335 85.730 -3.518 -6.828 1.00 0.00 H new ATOM 0 HG2 ARG A 335 85.861 -1.624 -9.161 1.00 0.00 H new ATOM 0 HG3 ARG A 335 87.343 -2.375 -8.605 1.00 0.00 H new ATOM 0 HD2 ARG A 335 86.693 -4.491 -9.254 1.00 0.00 H new ATOM 0 HD3 ARG A 335 84.998 -4.196 -8.922 1.00 0.00 H new ATOM 0 HE ARG A 335 86.402 -3.748 -11.447 1.00 0.00 H new ATOM 0 HH11 ARG A 335 83.620 -2.841 -9.460 1.00 0.00 H new ATOM 0 HH12 ARG A 335 82.661 -2.312 -10.845 1.00 0.00 H new ATOM 0 HH21 ARG A 335 85.158 -3.066 -13.214 1.00 0.00 H new ATOM 0 HH22 ARG A 335 83.526 -2.439 -12.958 1.00 0.00 H new ATOM 92 N PHE A 336 82.902 -2.359 -5.154 1.00 0.00 N ATOM 93 CA PHE A 336 82.450 -2.252 -3.789 1.00 0.00 C ATOM 94 C PHE A 336 82.834 -3.496 -2.988 1.00 0.00 C ATOM 95 O PHE A 336 82.919 -4.595 -3.536 1.00 0.00 O ATOM 96 CB PHE A 336 80.936 -2.099 -3.805 1.00 0.00 C ATOM 97 CG PHE A 336 80.439 -0.719 -3.481 1.00 0.00 C ATOM 98 CD1 PHE A 336 80.869 -0.062 -2.342 1.00 0.00 C ATOM 99 CD2 PHE A 336 79.531 -0.085 -4.315 1.00 0.00 C ATOM 100 CE1 PHE A 336 80.405 1.205 -2.039 1.00 0.00 C ATOM 101 CE2 PHE A 336 79.062 1.181 -4.017 1.00 0.00 C ATOM 102 CZ PHE A 336 79.500 1.827 -2.877 1.00 0.00 C ATOM 0 H PHE A 336 82.331 -2.976 -5.732 1.00 0.00 H new ATOM 0 HA PHE A 336 82.921 -1.391 -3.315 1.00 0.00 H new ATOM 0 HB2 PHE A 336 80.567 -2.381 -4.791 1.00 0.00 H new ATOM 0 HB3 PHE A 336 80.506 -2.802 -3.091 1.00 0.00 H new ATOM 0 HD1 PHE A 336 81.575 -0.544 -1.682 1.00 0.00 H new ATOM 0 HD2 PHE A 336 79.186 -0.586 -5.208 1.00 0.00 H new ATOM 0 HE1 PHE A 336 80.750 1.708 -1.148 1.00 0.00 H new ATOM 0 HE2 PHE A 336 78.354 1.664 -4.674 1.00 0.00 H new ATOM 0 HZ PHE A 336 79.136 2.816 -2.642 1.00 0.00 H new ATOM 112 N SER A 337 83.049 -3.318 -1.690 1.00 0.00 N ATOM 113 CA SER A 337 83.406 -4.440 -0.816 1.00 0.00 C ATOM 114 C SER A 337 82.581 -4.414 0.470 1.00 0.00 C ATOM 115 O SER A 337 82.526 -3.399 1.156 1.00 0.00 O ATOM 116 CB SER A 337 84.898 -4.396 -0.480 1.00 0.00 C ATOM 117 OG SER A 337 85.655 -5.140 -1.418 1.00 0.00 O ATOM 0 H SER A 337 82.984 -2.416 -1.218 1.00 0.00 H new ATOM 0 HA SER A 337 83.187 -5.366 -1.347 1.00 0.00 H new ATOM 0 HB2 SER A 337 85.241 -3.361 -0.470 1.00 0.00 H new ATOM 0 HB3 SER A 337 85.060 -4.795 0.521 1.00 0.00 H new ATOM 0 HG SER A 337 86.605 -5.094 -1.182 1.00 0.00 H new ATOM 123 N THR A 338 81.938 -5.535 0.797 1.00 0.00 N ATOM 124 CA THR A 338 81.114 -5.612 2.004 1.00 0.00 C ATOM 125 C THR A 338 81.948 -5.896 3.246 1.00 0.00 C ATOM 126 O THR A 338 82.913 -6.659 3.210 1.00 0.00 O ATOM 127 CB THR A 338 80.029 -6.683 1.863 1.00 0.00 C ATOM 128 OG1 THR A 338 79.210 -6.422 0.737 1.00 0.00 O ATOM 129 CG2 THR A 338 79.124 -6.782 3.080 1.00 0.00 C ATOM 0 H THR A 338 81.971 -6.395 0.249 1.00 0.00 H new ATOM 0 HA THR A 338 80.643 -4.636 2.123 1.00 0.00 H new ATOM 0 HB THR A 338 80.564 -7.626 1.750 1.00 0.00 H new ATOM 0 HG1 THR A 338 78.524 -7.118 0.663 1.00 0.00 H new ATOM 0 HG21 THR A 338 78.377 -7.559 2.916 1.00 0.00 H new ATOM 0 HG22 THR A 338 79.720 -7.031 3.958 1.00 0.00 H new ATOM 0 HG23 THR A 338 78.624 -5.827 3.241 1.00 0.00 H new ATOM 137 N LYS A 339 81.548 -5.273 4.347 1.00 0.00 N ATOM 138 CA LYS A 339 82.217 -5.435 5.626 1.00 0.00 C ATOM 139 C LYS A 339 81.213 -5.263 6.761 1.00 0.00 C ATOM 140 O LYS A 339 80.232 -4.524 6.625 1.00 0.00 O ATOM 141 CB LYS A 339 83.353 -4.420 5.769 1.00 0.00 C ATOM 142 CG LYS A 339 84.660 -4.877 5.143 1.00 0.00 C ATOM 143 CD LYS A 339 85.860 -4.377 5.931 1.00 0.00 C ATOM 144 CE LYS A 339 86.261 -5.359 7.019 1.00 0.00 C ATOM 145 NZ LYS A 339 86.436 -6.738 6.485 1.00 0.00 N ATOM 0 H LYS A 339 80.748 -4.640 4.376 1.00 0.00 H new ATOM 0 HA LYS A 339 82.642 -6.437 5.674 1.00 0.00 H new ATOM 0 HB2 LYS A 339 83.049 -3.480 5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 339 83.518 -4.218 6.827 1.00 0.00 H new ATOM 0 HG2 LYS A 339 84.682 -5.966 5.097 1.00 0.00 H new ATOM 0 HG3 LYS A 339 84.720 -4.514 4.117 1.00 0.00 H new ATOM 0 HD2 LYS A 339 86.700 -4.219 5.255 1.00 0.00 H new ATOM 0 HD3 LYS A 339 85.625 -3.412 6.379 1.00 0.00 H new ATOM 0 HE2 LYS A 339 87.191 -5.028 7.482 1.00 0.00 H new ATOM 0 HE3 LYS A 339 85.501 -5.366 7.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 87.138 -7.246 7.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 85.527 -7.243 6.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 86.764 -6.690 5.499 1.00 0.00 H new ATOM 159 N SER A 340 81.457 -5.948 7.872 1.00 0.00 N ATOM 160 CA SER A 340 80.569 -5.871 9.025 1.00 0.00 C ATOM 161 C SER A 340 81.367 -5.818 10.324 1.00 0.00 C ATOM 162 O SER A 340 82.590 -5.683 10.309 1.00 0.00 O ATOM 163 CB SER A 340 79.621 -7.071 9.045 1.00 0.00 C ATOM 164 OG SER A 340 80.298 -8.250 9.445 1.00 0.00 O ATOM 0 H SER A 340 82.261 -6.562 7.999 1.00 0.00 H new ATOM 0 HA SER A 340 79.984 -4.955 8.941 1.00 0.00 H new ATOM 0 HB2 SER A 340 78.794 -6.874 9.727 1.00 0.00 H new ATOM 0 HB3 SER A 340 79.190 -7.214 8.054 1.00 0.00 H new ATOM 0 HG SER A 340 79.670 -9.002 9.451 1.00 0.00 H new ATOM 224 N GLN A 344 78.126 -0.089 12.149 1.00 0.00 N ATOM 225 CA GLN A 344 77.723 0.978 11.240 1.00 0.00 C ATOM 226 C GLN A 344 76.340 0.711 10.652 1.00 0.00 C ATOM 227 O GLN A 344 75.816 -0.399 10.742 1.00 0.00 O ATOM 228 CB GLN A 344 78.748 1.130 10.114 1.00 0.00 C ATOM 229 CG GLN A 344 78.815 -0.072 9.185 1.00 0.00 C ATOM 230 CD GLN A 344 77.961 0.103 7.945 1.00 0.00 C ATOM 231 OE1 GLN A 344 78.500 0.796 6.948 1.00 0.00 O flip ATOM 232 NE2 GLN A 344 76.831 -0.380 7.882 1.00 0.00 N flip ATOM 0 HA GLN A 344 77.677 1.905 11.812 1.00 0.00 H new ATOM 0 HB2 GLN A 344 78.504 2.017 9.530 1.00 0.00 H new ATOM 0 HB3 GLN A 344 79.733 1.297 10.551 1.00 0.00 H new ATOM 0 HG2 GLN A 344 79.850 -0.240 8.888 1.00 0.00 H new ATOM 0 HG3 GLN A 344 78.489 -0.962 9.724 1.00 0.00 H new ATOM 0 HE21 GLN A 344 76.456 -0.905 8.672 1.00 0.00 H new ATOM 0 HE22 GLN A 344 76.269 -0.255 7.040 1.00 0.00 H new ATOM 241 N VAL A 345 75.760 1.743 10.049 1.00 0.00 N ATOM 242 CA VAL A 345 74.439 1.641 9.439 1.00 0.00 C ATOM 243 C VAL A 345 74.470 2.154 8.002 1.00 0.00 C ATOM 244 O VAL A 345 75.170 3.120 7.700 1.00 0.00 O ATOM 245 CB VAL A 345 73.390 2.439 10.238 1.00 0.00 C ATOM 246 CG1 VAL A 345 71.995 2.213 9.673 1.00 0.00 C ATOM 247 CG2 VAL A 345 73.446 2.064 11.712 1.00 0.00 C ATOM 0 H VAL A 345 76.187 2.666 9.969 1.00 0.00 H new ATOM 0 HA VAL A 345 74.159 0.588 9.445 1.00 0.00 H new ATOM 0 HB VAL A 345 73.622 3.500 10.146 1.00 0.00 H new ATOM 0 HG11 VAL A 345 71.271 2.786 10.252 1.00 0.00 H new ATOM 0 HG12 VAL A 345 71.967 2.538 8.633 1.00 0.00 H new ATOM 0 HG13 VAL A 345 71.747 1.153 9.729 1.00 0.00 H new ATOM 0 HG21 VAL A 345 72.699 2.637 12.262 1.00 0.00 H new ATOM 0 HG22 VAL A 345 73.242 0.999 11.825 1.00 0.00 H new ATOM 0 HG23 VAL A 345 74.437 2.287 12.107 1.00 0.00 H new ATOM 257 N CYS A 346 73.713 1.497 7.119 1.00 0.00 N ATOM 258 CA CYS A 346 73.650 1.880 5.703 1.00 0.00 C ATOM 259 C CYS A 346 73.771 3.397 5.527 1.00 0.00 C ATOM 260 O CYS A 346 73.140 4.166 6.252 1.00 0.00 O ATOM 261 CB CYS A 346 72.341 1.378 5.079 1.00 0.00 C ATOM 262 SG CYS A 346 72.117 1.867 3.335 1.00 0.00 S ATOM 0 H CYS A 346 73.132 0.694 7.360 1.00 0.00 H new ATOM 0 HA CYS A 346 74.494 1.416 5.192 1.00 0.00 H new ATOM 0 HB2 CYS A 346 72.311 0.291 5.148 1.00 0.00 H new ATOM 0 HB3 CYS A 346 71.503 1.758 5.663 1.00 0.00 H new ATOM 0 HG CYS A 346 73.168 2.515 2.928 1.00 0.00 H new ATOM 267 N ASN A 347 74.594 3.821 4.566 1.00 0.00 N ATOM 268 CA ASN A 347 74.804 5.246 4.307 1.00 0.00 C ATOM 269 C ASN A 347 73.818 5.784 3.272 1.00 0.00 C ATOM 270 O ASN A 347 74.117 6.739 2.554 1.00 0.00 O ATOM 271 CB ASN A 347 76.233 5.500 3.824 1.00 0.00 C ATOM 272 CG ASN A 347 77.135 6.014 4.929 1.00 0.00 C ATOM 273 OD1 ASN A 347 77.908 6.951 4.729 1.00 0.00 O ATOM 274 ND2 ASN A 347 77.041 5.402 6.103 1.00 0.00 N ATOM 0 H ASN A 347 75.125 3.199 3.956 1.00 0.00 H new ATOM 0 HA ASN A 347 74.637 5.771 5.248 1.00 0.00 H new ATOM 0 HB2 ASN A 347 76.647 4.576 3.422 1.00 0.00 H new ATOM 0 HB3 ASN A 347 76.215 6.223 3.008 1.00 0.00 H new ATOM 0 HD21 ASN A 347 77.623 5.704 6.884 1.00 0.00 H new ATOM 0 HD22 ASN A 347 76.386 4.629 6.224 1.00 0.00 H new ATOM 281 N VAL A 348 72.649 5.172 3.200 1.00 0.00 N ATOM 282 CA VAL A 348 71.621 5.591 2.254 1.00 0.00 C ATOM 283 C VAL A 348 70.261 5.713 2.935 1.00 0.00 C ATOM 284 O VAL A 348 69.754 6.817 3.133 1.00 0.00 O ATOM 285 CB VAL A 348 71.510 4.607 1.073 1.00 0.00 C ATOM 286 CG1 VAL A 348 70.546 5.138 0.023 1.00 0.00 C ATOM 287 CG2 VAL A 348 72.880 4.347 0.465 1.00 0.00 C ATOM 0 H VAL A 348 72.384 4.380 3.786 1.00 0.00 H new ATOM 0 HA VAL A 348 71.920 6.568 1.874 1.00 0.00 H new ATOM 0 HB VAL A 348 71.118 3.662 1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 348 70.481 4.429 -0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 348 69.559 5.268 0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 348 70.906 6.097 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 348 72.782 3.650 -0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 348 73.302 5.285 0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 348 73.538 3.919 1.221 1.00 0.00 H new ATOM 297 N CYS A 349 69.674 4.575 3.289 1.00 0.00 N ATOM 298 CA CYS A 349 68.372 4.559 3.946 1.00 0.00 C ATOM 299 C CYS A 349 68.525 4.609 5.463 1.00 0.00 C ATOM 300 O CYS A 349 67.672 5.151 6.166 1.00 0.00 O ATOM 301 CB CYS A 349 67.589 3.308 3.542 1.00 0.00 C ATOM 302 SG CYS A 349 68.443 1.744 3.917 1.00 0.00 S ATOM 0 H CYS A 349 70.079 3.652 3.132 1.00 0.00 H new ATOM 0 HA CYS A 349 67.822 5.444 3.626 1.00 0.00 H new ATOM 0 HB2 CYS A 349 66.626 3.315 4.052 1.00 0.00 H new ATOM 0 HB3 CYS A 349 67.384 3.350 2.472 1.00 0.00 H new ATOM 0 HG CYS A 349 67.703 0.744 3.540 1.00 0.00 H new ATOM 307 N GLN A 350 69.620 4.042 5.961 1.00 0.00 N ATOM 308 CA GLN A 350 69.889 4.023 7.395 1.00 0.00 C ATOM 309 C GLN A 350 68.809 3.252 8.147 1.00 0.00 C ATOM 310 O GLN A 350 67.719 3.770 8.391 1.00 0.00 O ATOM 311 CB GLN A 350 69.983 5.451 7.937 1.00 0.00 C ATOM 312 CG GLN A 350 71.367 6.065 7.803 1.00 0.00 C ATOM 313 CD GLN A 350 72.336 5.553 8.850 1.00 0.00 C ATOM 314 OE1 GLN A 350 71.951 5.275 9.985 1.00 0.00 O ATOM 315 NE2 GLN A 350 73.603 5.426 8.472 1.00 0.00 N ATOM 0 H GLN A 350 70.336 3.589 5.392 1.00 0.00 H new ATOM 0 HA GLN A 350 70.842 3.518 7.550 1.00 0.00 H new ATOM 0 HB2 GLN A 350 69.264 6.078 7.410 1.00 0.00 H new ATOM 0 HB3 GLN A 350 69.695 5.451 8.988 1.00 0.00 H new ATOM 0 HG2 GLN A 350 71.762 5.848 6.811 1.00 0.00 H new ATOM 0 HG3 GLN A 350 71.289 7.149 7.885 1.00 0.00 H new ATOM 0 HE21 GLN A 350 73.878 5.668 7.520 1.00 0.00 H new ATOM 0 HE22 GLN A 350 74.301 5.086 9.134 1.00 0.00 H new ATOM 324 N LYS A 351 69.120 2.013 8.516 1.00 0.00 N ATOM 325 CA LYS A 351 68.177 1.173 9.245 1.00 0.00 C ATOM 326 C LYS A 351 68.913 0.159 10.117 1.00 0.00 C ATOM 327 O LYS A 351 70.124 -0.020 9.989 1.00 0.00 O ATOM 328 CB LYS A 351 67.244 0.449 8.271 1.00 0.00 C ATOM 329 CG LYS A 351 67.948 -0.575 7.395 1.00 0.00 C ATOM 330 CD LYS A 351 67.183 -0.826 6.106 1.00 0.00 C ATOM 331 CE LYS A 351 65.782 -1.349 6.380 1.00 0.00 C ATOM 332 NZ LYS A 351 65.792 -2.787 6.765 1.00 0.00 N ATOM 0 H LYS A 351 70.018 1.569 8.322 1.00 0.00 H new ATOM 0 HA LYS A 351 67.582 1.816 9.893 1.00 0.00 H new ATOM 0 HB2 LYS A 351 66.458 -0.050 8.838 1.00 0.00 H new ATOM 0 HB3 LYS A 351 66.757 1.186 7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 351 68.953 -0.225 7.160 1.00 0.00 H new ATOM 0 HG3 LYS A 351 68.056 -1.511 7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 351 67.121 0.099 5.533 1.00 0.00 H new ATOM 0 HD3 LYS A 351 67.727 -1.545 5.493 1.00 0.00 H new ATOM 0 HE2 LYS A 351 65.325 -0.763 7.177 1.00 0.00 H new ATOM 0 HE3 LYS A 351 65.164 -1.215 5.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 64.818 -3.105 6.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 66.205 -3.350 5.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 66.360 -2.912 7.627 1.00 0.00 H new ATOM 346 N SER A 352 68.174 -0.500 11.004 1.00 0.00 N ATOM 347 CA SER A 352 68.757 -1.495 11.899 1.00 0.00 C ATOM 348 C SER A 352 69.463 -2.595 11.112 1.00 0.00 C ATOM 349 O SER A 352 68.827 -3.530 10.624 1.00 0.00 O ATOM 350 CB SER A 352 67.673 -2.106 12.790 1.00 0.00 C ATOM 351 OG SER A 352 66.607 -1.194 12.995 1.00 0.00 O ATOM 0 H SER A 352 67.170 -0.363 11.123 1.00 0.00 H new ATOM 0 HA SER A 352 69.495 -0.993 12.525 1.00 0.00 H new ATOM 0 HB2 SER A 352 67.292 -3.018 12.331 1.00 0.00 H new ATOM 0 HB3 SER A 352 68.104 -2.388 13.751 1.00 0.00 H new ATOM 0 HG SER A 352 65.927 -1.609 13.566 1.00 0.00 H new ATOM 357 N MET A 353 70.781 -2.475 10.990 1.00 0.00 N ATOM 358 CA MET A 353 71.576 -3.456 10.260 1.00 0.00 C ATOM 359 C MET A 353 73.052 -3.094 10.310 1.00 0.00 C ATOM 360 O MET A 353 73.415 -2.006 10.758 1.00 0.00 O ATOM 361 CB MET A 353 71.125 -3.524 8.801 1.00 0.00 C ATOM 362 CG MET A 353 71.012 -2.162 8.134 1.00 0.00 C ATOM 363 SD MET A 353 71.912 -2.071 6.570 1.00 0.00 S ATOM 364 CE MET A 353 71.642 -3.717 5.914 1.00 0.00 C ATOM 0 H MET A 353 71.322 -1.707 11.388 1.00 0.00 H new ATOM 0 HA MET A 353 71.430 -4.427 10.732 1.00 0.00 H new ATOM 0 HB2 MET A 353 71.830 -4.137 8.240 1.00 0.00 H new ATOM 0 HB3 MET A 353 70.158 -4.025 8.751 1.00 0.00 H new ATOM 0 HG2 MET A 353 69.961 -1.936 7.957 1.00 0.00 H new ATOM 0 HG3 MET A 353 71.393 -1.398 8.812 1.00 0.00 H new ATOM 0 HE1 MET A 353 72.064 -3.783 4.911 1.00 0.00 H new ATOM 0 HE2 MET A 353 72.126 -4.450 6.560 1.00 0.00 H new ATOM 0 HE3 MET A 353 70.572 -3.921 5.872 1.00 0.00 H new ATOM 374 N ILE A 354 73.900 -3.969 9.774 1.00 0.00 N ATOM 375 CA ILE A 354 75.293 -3.690 9.689 1.00 0.00 C ATOM 376 C ILE A 354 75.801 -4.198 8.379 1.00 0.00 C ATOM 377 O ILE A 354 76.255 -5.330 8.216 1.00 0.00 O ATOM 378 CB ILE A 354 76.085 -4.318 10.828 1.00 0.00 C ATOM 379 CG1 ILE A 354 77.541 -3.853 10.792 1.00 0.00 C ATOM 380 CG2 ILE A 354 76.004 -5.839 10.777 1.00 0.00 C ATOM 381 CD1 ILE A 354 78.206 -3.860 12.151 1.00 0.00 C ATOM 0 H ILE A 354 73.625 -4.876 9.396 1.00 0.00 H new ATOM 0 HA ILE A 354 75.428 -2.611 9.768 1.00 0.00 H new ATOM 0 HB ILE A 354 75.642 -3.989 11.768 1.00 0.00 H new ATOM 0 HG12 ILE A 354 78.104 -4.497 10.117 1.00 0.00 H new ATOM 0 HG13 ILE A 354 77.583 -2.845 10.380 1.00 0.00 H new ATOM 0 HG21 ILE A 354 76.578 -6.262 11.601 1.00 0.00 H new ATOM 0 HG22 ILE A 354 74.963 -6.151 10.862 1.00 0.00 H new ATOM 0 HG23 ILE A 354 76.413 -6.194 9.831 1.00 0.00 H new ATOM 0 HD11 ILE A 354 79.237 -3.519 12.053 1.00 0.00 H new ATOM 0 HD12 ILE A 354 77.666 -3.194 12.824 1.00 0.00 H new ATOM 0 HD13 ILE A 354 78.195 -4.872 12.556 1.00 0.00 H new ATOM 393 N PHE A 355 75.735 -3.301 7.483 1.00 0.00 N ATOM 394 CA PHE A 355 76.199 -3.502 6.122 1.00 0.00 C ATOM 395 C PHE A 355 76.887 -2.248 5.613 1.00 0.00 C ATOM 396 O PHE A 355 76.287 -1.173 5.589 1.00 0.00 O ATOM 397 CB PHE A 355 75.037 -3.890 5.200 1.00 0.00 C ATOM 398 CG PHE A 355 75.022 -5.349 4.823 1.00 0.00 C ATOM 399 CD1 PHE A 355 76.202 -6.025 4.551 1.00 0.00 C ATOM 400 CD2 PHE A 355 73.825 -6.044 4.741 1.00 0.00 C ATOM 401 CE1 PHE A 355 76.187 -7.364 4.206 1.00 0.00 C ATOM 402 CE2 PHE A 355 73.805 -7.382 4.396 1.00 0.00 C ATOM 403 CZ PHE A 355 74.987 -8.043 4.129 1.00 0.00 C ATOM 0 H PHE A 355 75.351 -2.371 7.652 1.00 0.00 H new ATOM 0 HA PHE A 355 76.918 -4.321 6.121 1.00 0.00 H new ATOM 0 HB2 PHE A 355 74.096 -3.642 5.692 1.00 0.00 H new ATOM 0 HB3 PHE A 355 75.090 -3.290 4.292 1.00 0.00 H new ATOM 0 HD1 PHE A 355 77.144 -5.499 4.609 1.00 0.00 H new ATOM 0 HD2 PHE A 355 72.897 -5.533 4.949 1.00 0.00 H new ATOM 0 HE1 PHE A 355 77.113 -7.878 3.997 1.00 0.00 H new ATOM 0 HE2 PHE A 355 72.865 -7.910 4.335 1.00 0.00 H new ATOM 0 HZ PHE A 355 74.973 -9.089 3.860 1.00 0.00 H new ATOM 413 N GLY A 356 78.136 -2.379 5.194 1.00 0.00 N ATOM 414 CA GLY A 356 78.844 -1.227 4.681 1.00 0.00 C ATOM 415 C GLY A 356 79.767 -1.576 3.553 1.00 0.00 C ATOM 416 O GLY A 356 80.780 -2.243 3.739 1.00 0.00 O ATOM 0 H GLY A 356 78.666 -3.250 5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 356 78.123 -0.484 4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 356 79.417 -0.768 5.487 1.00 0.00 H new ATOM 420 N VAL A 357 79.418 -1.101 2.385 1.00 0.00 N ATOM 421 CA VAL A 357 80.217 -1.341 1.198 1.00 0.00 C ATOM 422 C VAL A 357 81.002 -0.096 0.834 1.00 0.00 C ATOM 423 O VAL A 357 80.472 1.012 0.856 1.00 0.00 O ATOM 424 CB VAL A 357 79.355 -1.780 -0.004 1.00 0.00 C ATOM 425 CG1 VAL A 357 78.599 -3.059 0.322 1.00 0.00 C ATOM 426 CG2 VAL A 357 78.395 -0.675 -0.420 1.00 0.00 C ATOM 0 H VAL A 357 78.581 -0.541 2.224 1.00 0.00 H new ATOM 0 HA VAL A 357 80.903 -2.155 1.431 1.00 0.00 H new ATOM 0 HB VAL A 357 80.020 -1.978 -0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 357 77.996 -3.354 -0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 357 79.309 -3.852 0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 357 77.949 -2.889 1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 357 77.800 -1.011 -1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 357 77.735 -0.434 0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 357 78.962 0.212 -0.703 1.00 0.00 H new ATOM 436 N LYS A 358 82.272 -0.283 0.515 1.00 0.00 N ATOM 437 CA LYS A 358 83.133 0.828 0.162 1.00 0.00 C ATOM 438 C LYS A 358 83.588 0.726 -1.284 1.00 0.00 C ATOM 439 O LYS A 358 84.205 -0.265 -1.684 1.00 0.00 O ATOM 440 CB LYS A 358 84.349 0.871 1.089 1.00 0.00 C ATOM 441 CG LYS A 358 85.128 2.174 1.011 1.00 0.00 C ATOM 442 CD LYS A 358 86.233 2.226 2.053 1.00 0.00 C ATOM 443 CE LYS A 358 87.573 1.815 1.466 1.00 0.00 C ATOM 444 NZ LYS A 358 88.280 2.963 0.835 1.00 0.00 N ATOM 0 H LYS A 358 82.728 -1.195 0.494 1.00 0.00 H new ATOM 0 HA LYS A 358 82.561 1.749 0.279 1.00 0.00 H new ATOM 0 HB2 LYS A 358 84.018 0.716 2.116 1.00 0.00 H new ATOM 0 HB3 LYS A 358 85.014 0.044 0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 358 85.560 2.282 0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 358 84.449 3.014 1.157 1.00 0.00 H new ATOM 0 HD2 LYS A 358 86.306 3.236 2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 358 85.982 1.567 2.884 1.00 0.00 H new ATOM 0 HE2 LYS A 358 88.199 1.391 2.252 1.00 0.00 H new ATOM 0 HE3 LYS A 358 87.419 1.032 0.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 358 89.254 2.684 0.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 358 87.780 3.244 -0.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 358 88.300 3.765 1.497 1.00 0.00 H new ATOM 458 N CYS A 359 83.290 1.763 -2.057 1.00 0.00 N ATOM 459 CA CYS A 359 83.687 1.812 -3.455 1.00 0.00 C ATOM 460 C CYS A 359 84.921 2.686 -3.590 1.00 0.00 C ATOM 461 O CYS A 359 84.948 3.807 -3.081 1.00 0.00 O ATOM 462 CB CYS A 359 82.552 2.350 -4.340 1.00 0.00 C ATOM 463 SG CYS A 359 82.367 4.168 -4.339 1.00 0.00 S ATOM 0 H CYS A 359 82.774 2.582 -1.737 1.00 0.00 H new ATOM 0 HA CYS A 359 83.913 0.800 -3.791 1.00 0.00 H new ATOM 0 HB2 CYS A 359 82.722 2.018 -5.364 1.00 0.00 H new ATOM 0 HB3 CYS A 359 81.613 1.904 -4.012 1.00 0.00 H new ATOM 468 N LYS A 360 85.938 2.177 -4.270 1.00 0.00 N ATOM 469 CA LYS A 360 87.145 2.899 -4.464 1.00 0.00 C ATOM 470 C LYS A 360 86.991 3.870 -5.613 1.00 0.00 C ATOM 471 O LYS A 360 85.883 4.154 -6.068 1.00 0.00 O ATOM 472 CB LYS A 360 88.273 1.902 -4.722 1.00 0.00 C ATOM 473 CG LYS A 360 89.218 1.707 -3.542 1.00 0.00 C ATOM 474 CD LYS A 360 88.470 1.522 -2.226 1.00 0.00 C ATOM 475 CE LYS A 360 88.106 0.066 -1.980 1.00 0.00 C ATOM 476 NZ LYS A 360 87.657 -0.619 -3.224 1.00 0.00 N ATOM 0 H LYS A 360 85.930 1.250 -4.695 1.00 0.00 H new ATOM 0 HA LYS A 360 87.385 3.482 -3.575 1.00 0.00 H new ATOM 0 HB2 LYS A 360 87.837 0.939 -4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 360 88.850 2.239 -5.583 1.00 0.00 H new ATOM 0 HG2 LYS A 360 89.849 0.837 -3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 360 89.880 2.569 -3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 360 89.086 1.886 -1.404 1.00 0.00 H new ATOM 0 HD3 LYS A 360 87.563 2.126 -2.236 1.00 0.00 H new ATOM 0 HE2 LYS A 360 88.969 -0.458 -1.570 1.00 0.00 H new ATOM 0 HE3 LYS A 360 87.315 0.012 -1.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 360 87.355 -1.588 -2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 360 86.860 -0.096 -3.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 360 88.442 -0.652 -3.905 1.00 0.00 H new ATOM 490 N HIS A 361 88.108 4.383 -6.059 1.00 0.00 N ATOM 491 CA HIS A 361 88.144 5.354 -7.150 1.00 0.00 C ATOM 492 C HIS A 361 87.564 6.697 -6.701 1.00 0.00 C ATOM 493 O HIS A 361 88.041 7.757 -7.107 1.00 0.00 O ATOM 494 CB HIS A 361 87.370 4.829 -8.363 1.00 0.00 C ATOM 495 CG HIS A 361 87.694 3.410 -8.712 1.00 0.00 C ATOM 496 ND1 HIS A 361 88.836 3.045 -9.394 1.00 0.00 N ATOM 497 CD2 HIS A 361 87.019 2.261 -8.470 1.00 0.00 C ATOM 498 CE1 HIS A 361 88.849 1.734 -9.557 1.00 0.00 C ATOM 499 NE2 HIS A 361 87.758 1.235 -9.005 1.00 0.00 N ATOM 0 H HIS A 361 89.026 4.146 -5.683 1.00 0.00 H new ATOM 0 HA HIS A 361 89.186 5.503 -7.434 1.00 0.00 H new ATOM 0 HB2 HIS A 361 86.301 4.911 -8.165 1.00 0.00 H new ATOM 0 HB3 HIS A 361 87.584 5.464 -9.223 1.00 0.00 H new ATOM 0 HD2 HIS A 361 86.075 2.169 -7.953 1.00 0.00 H new ATOM 0 HE1 HIS A 361 89.621 1.167 -10.057 1.00 0.00 H new ATOM 0 HE2 HIS A 361 87.505 0.247 -8.980 1.00 0.00 H new ATOM 508 N CYS A 362 86.529 6.641 -5.866 1.00 0.00 N ATOM 509 CA CYS A 362 85.872 7.838 -5.361 1.00 0.00 C ATOM 510 C CYS A 362 85.760 7.791 -3.838 1.00 0.00 C ATOM 511 O CYS A 362 85.986 8.792 -3.160 1.00 0.00 O ATOM 512 CB CYS A 362 84.470 7.972 -5.969 1.00 0.00 C ATOM 513 SG CYS A 362 84.103 6.796 -7.316 1.00 0.00 S ATOM 0 H CYS A 362 86.126 5.769 -5.524 1.00 0.00 H new ATOM 0 HA CYS A 362 86.475 8.700 -5.646 1.00 0.00 H new ATOM 0 HB2 CYS A 362 83.732 7.838 -5.178 1.00 0.00 H new ATOM 0 HB3 CYS A 362 84.350 8.987 -6.349 1.00 0.00 H new ATOM 0 HG CYS A 362 83.015 6.142 -7.037 1.00 0.00 H new ATOM 518 N ARG A 363 85.396 6.616 -3.318 1.00 0.00 N ATOM 519 CA ARG A 363 85.228 6.399 -1.878 1.00 0.00 C ATOM 520 C ARG A 363 83.797 6.740 -1.448 1.00 0.00 C ATOM 521 O ARG A 363 83.433 7.905 -1.295 1.00 0.00 O ATOM 522 CB ARG A 363 86.287 7.180 -1.066 1.00 0.00 C ATOM 523 CG ARG A 363 85.811 8.493 -0.453 1.00 0.00 C ATOM 524 CD ARG A 363 85.043 8.260 0.839 1.00 0.00 C ATOM 525 NE ARG A 363 83.904 9.165 0.970 1.00 0.00 N ATOM 526 CZ ARG A 363 83.188 9.300 2.084 1.00 0.00 C ATOM 527 NH1 ARG A 363 83.491 8.592 3.165 1.00 0.00 N ATOM 528 NH2 ARG A 363 82.167 10.146 2.118 1.00 0.00 N ATOM 0 H ARG A 363 85.209 5.788 -3.883 1.00 0.00 H new ATOM 0 HA ARG A 363 85.390 5.342 -1.665 1.00 0.00 H new ATOM 0 HB2 ARG A 363 86.651 6.537 -0.265 1.00 0.00 H new ATOM 0 HB3 ARG A 363 87.136 7.390 -1.717 1.00 0.00 H new ATOM 0 HG2 ARG A 363 86.669 9.136 -0.256 1.00 0.00 H new ATOM 0 HG3 ARG A 363 85.175 9.019 -1.165 1.00 0.00 H new ATOM 0 HD2 ARG A 363 84.692 7.229 0.871 1.00 0.00 H new ATOM 0 HD3 ARG A 363 85.713 8.395 1.688 1.00 0.00 H new ATOM 0 HE ARG A 363 83.642 9.727 0.160 1.00 0.00 H new ATOM 0 HH11 ARG A 363 84.276 7.941 3.145 1.00 0.00 H new ATOM 0 HH12 ARG A 363 82.939 8.699 4.016 1.00 0.00 H new ATOM 0 HH21 ARG A 363 81.930 10.693 1.290 1.00 0.00 H new ATOM 0 HH22 ARG A 363 81.618 10.249 2.972 1.00 0.00 H new ATOM 542 N LEU A 364 82.977 5.704 -1.281 1.00 0.00 N ATOM 543 CA LEU A 364 81.579 5.892 -0.890 1.00 0.00 C ATOM 544 C LEU A 364 81.093 4.744 -0.007 1.00 0.00 C ATOM 545 O LEU A 364 81.644 3.649 -0.047 1.00 0.00 O ATOM 546 CB LEU A 364 80.695 5.990 -2.137 1.00 0.00 C ATOM 547 CG LEU A 364 79.302 6.589 -1.908 1.00 0.00 C ATOM 548 CD1 LEU A 364 79.186 7.950 -2.579 1.00 0.00 C ATOM 549 CD2 LEU A 364 78.225 5.647 -2.426 1.00 0.00 C ATOM 0 H LEU A 364 83.253 4.731 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 364 81.511 6.818 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 364 81.213 6.593 -2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 364 80.578 4.992 -2.559 1.00 0.00 H new ATOM 0 HG LEU A 364 79.159 6.722 -0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 364 78.190 8.358 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 364 79.933 8.626 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 364 79.351 7.842 -3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 364 77.243 6.088 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 364 78.368 5.483 -3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 364 78.291 4.694 -1.900 1.00 0.00 H new ATOM 561 N LYS A 365 80.050 4.993 0.781 1.00 0.00 N ATOM 562 CA LYS A 365 79.495 3.966 1.649 1.00 0.00 C ATOM 563 C LYS A 365 77.994 3.835 1.414 1.00 0.00 C ATOM 564 O LYS A 365 77.275 4.833 1.385 1.00 0.00 O ATOM 565 CB LYS A 365 79.773 4.297 3.117 1.00 0.00 C ATOM 566 CG LYS A 365 79.227 3.262 4.088 1.00 0.00 C ATOM 567 CD LYS A 365 80.296 2.261 4.493 1.00 0.00 C ATOM 568 CE LYS A 365 81.147 2.786 5.638 1.00 0.00 C ATOM 569 NZ LYS A 365 82.358 3.501 5.148 1.00 0.00 N ATOM 0 H LYS A 365 79.576 5.895 0.834 1.00 0.00 H new ATOM 0 HA LYS A 365 79.973 3.016 1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 365 80.849 4.388 3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 365 79.337 5.268 3.351 1.00 0.00 H new ATOM 0 HG2 LYS A 365 78.841 3.763 4.976 1.00 0.00 H new ATOM 0 HG3 LYS A 365 78.390 2.736 3.629 1.00 0.00 H new ATOM 0 HD2 LYS A 365 79.825 1.324 4.789 1.00 0.00 H new ATOM 0 HD3 LYS A 365 80.933 2.041 3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 365 80.551 3.460 6.253 1.00 0.00 H new ATOM 0 HE3 LYS A 365 81.449 1.956 6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 83.115 3.427 5.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 82.677 3.073 4.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 82.129 4.503 4.989 1.00 0.00 H new ATOM 583 N CYS A 366 77.528 2.605 1.227 1.00 0.00 N ATOM 584 CA CYS A 366 76.112 2.362 0.978 1.00 0.00 C ATOM 585 C CYS A 366 75.721 0.925 1.312 1.00 0.00 C ATOM 586 O CYS A 366 76.574 0.046 1.416 1.00 0.00 O ATOM 587 CB CYS A 366 75.768 2.671 -0.481 1.00 0.00 C ATOM 588 SG CYS A 366 76.566 1.577 -1.679 1.00 0.00 S ATOM 0 H CYS A 366 78.106 1.765 1.243 1.00 0.00 H new ATOM 0 HA CYS A 366 75.544 3.025 1.631 1.00 0.00 H new ATOM 0 HB2 CYS A 366 74.688 2.605 -0.609 1.00 0.00 H new ATOM 0 HB3 CYS A 366 76.053 3.700 -0.700 1.00 0.00 H new ATOM 0 HG CYS A 366 77.808 1.931 -1.830 1.00 0.00 H new ATOM 594 N HIS A 367 74.416 0.701 1.468 1.00 0.00 N ATOM 595 CA HIS A 367 73.870 -0.625 1.772 1.00 0.00 C ATOM 596 C HIS A 367 74.566 -1.708 0.953 1.00 0.00 C ATOM 597 O HIS A 367 75.300 -1.408 0.014 1.00 0.00 O ATOM 598 CB HIS A 367 72.379 -0.643 1.430 1.00 0.00 C ATOM 599 CG HIS A 367 71.492 -1.128 2.529 1.00 0.00 C ATOM 600 ND1 HIS A 367 70.718 -0.255 3.246 1.00 0.00 N ATOM 601 CD2 HIS A 367 71.260 -2.389 2.961 1.00 0.00 C ATOM 602 CE1 HIS A 367 70.031 -0.996 4.096 1.00 0.00 C ATOM 603 NE2 HIS A 367 70.325 -2.297 3.960 1.00 0.00 N ATOM 0 H HIS A 367 73.708 1.431 1.388 1.00 0.00 H new ATOM 0 HA HIS A 367 74.030 -0.825 2.831 1.00 0.00 H new ATOM 0 HB2 HIS A 367 72.072 0.365 1.152 1.00 0.00 H new ATOM 0 HB3 HIS A 367 72.229 -1.275 0.555 1.00 0.00 H new ATOM 0 HD1 HIS A 367 70.680 0.759 3.144 1.00 0.00 H new ATOM 0 HD2 HIS A 367 71.722 -3.293 2.591 1.00 0.00 H new ATOM 0 HE1 HIS A 367 69.322 -0.604 4.810 1.00 0.00 H new ATOM 611 N ASN A 368 74.298 -2.971 1.280 1.00 0.00 N ATOM 612 CA ASN A 368 74.879 -4.082 0.531 1.00 0.00 C ATOM 613 C ASN A 368 74.702 -3.836 -0.966 1.00 0.00 C ATOM 614 O ASN A 368 75.508 -4.277 -1.785 1.00 0.00 O ATOM 615 CB ASN A 368 74.218 -5.402 0.931 1.00 0.00 C ATOM 616 CG ASN A 368 72.720 -5.393 0.699 1.00 0.00 C ATOM 617 OD1 ASN A 368 72.256 -5.292 -0.437 1.00 0.00 O ATOM 618 ND2 ASN A 368 71.953 -5.498 1.778 1.00 0.00 N ATOM 0 H ASN A 368 73.689 -3.248 2.050 1.00 0.00 H new ATOM 0 HA ASN A 368 75.942 -4.148 0.762 1.00 0.00 H new ATOM 0 HB2 ASN A 368 74.666 -6.216 0.362 1.00 0.00 H new ATOM 0 HB3 ASN A 368 74.418 -5.601 1.984 1.00 0.00 H new ATOM 0 HD21 ASN A 368 70.937 -5.497 1.684 1.00 0.00 H new ATOM 0 HD22 ASN A 368 72.380 -5.580 2.701 1.00 0.00 H new ATOM 625 N LYS A 369 73.642 -3.102 -1.301 1.00 0.00 N ATOM 626 CA LYS A 369 73.339 -2.753 -2.679 1.00 0.00 C ATOM 627 C LYS A 369 72.551 -1.445 -2.723 1.00 0.00 C ATOM 628 O LYS A 369 73.086 -0.398 -3.088 1.00 0.00 O ATOM 629 CB LYS A 369 72.550 -3.875 -3.358 1.00 0.00 C ATOM 630 CG LYS A 369 73.407 -4.777 -4.234 1.00 0.00 C ATOM 631 CD LYS A 369 74.258 -3.969 -5.202 1.00 0.00 C ATOM 632 CE LYS A 369 74.235 -4.565 -6.600 1.00 0.00 C ATOM 633 NZ LYS A 369 75.061 -5.801 -6.691 1.00 0.00 N ATOM 0 H LYS A 369 72.974 -2.736 -0.623 1.00 0.00 H new ATOM 0 HA LYS A 369 74.276 -2.620 -3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 369 72.064 -4.481 -2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 369 71.760 -3.436 -3.967 1.00 0.00 H new ATOM 0 HG2 LYS A 369 74.052 -5.390 -3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 369 72.766 -5.459 -4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 369 73.894 -2.942 -5.238 1.00 0.00 H new ATOM 0 HD3 LYS A 369 75.285 -3.930 -4.839 1.00 0.00 H new ATOM 0 HE2 LYS A 369 73.207 -4.794 -6.880 1.00 0.00 H new ATOM 0 HE3 LYS A 369 74.603 -3.829 -7.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 75.019 -6.176 -7.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 76.047 -5.578 -6.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 74.694 -6.513 -6.028 1.00 0.00 H new ATOM 647 N CYS A 370 71.278 -1.515 -2.336 1.00 0.00 N ATOM 648 CA CYS A 370 70.402 -0.340 -2.315 1.00 0.00 C ATOM 649 C CYS A 370 70.574 0.504 -3.577 1.00 0.00 C ATOM 650 O CYS A 370 70.394 1.721 -3.553 1.00 0.00 O ATOM 651 CB CYS A 370 70.685 0.515 -1.072 1.00 0.00 C ATOM 652 SG CYS A 370 69.547 0.210 0.325 1.00 0.00 S ATOM 0 H CYS A 370 70.827 -2.377 -2.031 1.00 0.00 H new ATOM 0 HA CYS A 370 69.372 -0.694 -2.280 1.00 0.00 H new ATOM 0 HB2 CYS A 370 71.706 0.327 -0.741 1.00 0.00 H new ATOM 0 HB3 CYS A 370 70.628 1.568 -1.349 1.00 0.00 H new ATOM 0 HG CYS A 370 69.857 0.992 1.316 1.00 0.00 H new ATOM 657 N THR A 371 70.924 -0.153 -4.677 1.00 0.00 N ATOM 658 CA THR A 371 71.124 0.530 -5.950 1.00 0.00 C ATOM 659 C THR A 371 69.862 1.270 -6.380 1.00 0.00 C ATOM 660 O THR A 371 69.932 2.305 -7.044 1.00 0.00 O ATOM 661 CB THR A 371 71.535 -0.471 -7.031 1.00 0.00 C ATOM 662 OG1 THR A 371 70.565 -1.495 -7.160 1.00 0.00 O ATOM 663 CG2 THR A 371 72.868 -1.133 -6.758 1.00 0.00 C ATOM 0 H THR A 371 71.076 -1.161 -4.713 1.00 0.00 H new ATOM 0 HA THR A 371 71.922 1.261 -5.817 1.00 0.00 H new ATOM 0 HB THR A 371 71.619 0.112 -7.948 1.00 0.00 H new ATOM 0 HG1 THR A 371 70.845 -2.124 -7.857 1.00 0.00 H new ATOM 0 HG21 THR A 371 73.099 -1.831 -7.563 1.00 0.00 H new ATOM 0 HG22 THR A 371 73.647 -0.373 -6.702 1.00 0.00 H new ATOM 0 HG23 THR A 371 72.819 -1.673 -5.812 1.00 0.00 H new ATOM 671 N LYS A 372 68.708 0.731 -6.002 1.00 0.00 N ATOM 672 CA LYS A 372 67.429 1.338 -6.353 1.00 0.00 C ATOM 673 C LYS A 372 67.283 2.722 -5.725 1.00 0.00 C ATOM 674 O LYS A 372 66.513 3.552 -6.209 1.00 0.00 O ATOM 675 CB LYS A 372 66.276 0.439 -5.903 1.00 0.00 C ATOM 676 CG LYS A 372 66.425 -0.078 -4.481 1.00 0.00 C ATOM 677 CD LYS A 372 66.784 -1.555 -4.457 1.00 0.00 C ATOM 678 CE LYS A 372 67.151 -2.017 -3.056 1.00 0.00 C ATOM 679 NZ LYS A 372 68.272 -2.997 -3.070 1.00 0.00 N ATOM 0 H LYS A 372 68.632 -0.125 -5.453 1.00 0.00 H new ATOM 0 HA LYS A 372 67.397 1.450 -7.437 1.00 0.00 H new ATOM 0 HB2 LYS A 372 65.341 0.994 -5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 372 66.202 -0.410 -6.583 1.00 0.00 H new ATOM 0 HG2 LYS A 372 67.197 0.493 -3.965 1.00 0.00 H new ATOM 0 HG3 LYS A 372 65.494 0.080 -3.937 1.00 0.00 H new ATOM 0 HD2 LYS A 372 65.942 -2.141 -4.826 1.00 0.00 H new ATOM 0 HD3 LYS A 372 67.620 -1.738 -5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 372 67.430 -1.154 -2.451 1.00 0.00 H new ATOM 0 HE3 LYS A 372 66.279 -2.469 -2.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 68.492 -3.287 -2.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 67.997 -3.832 -3.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 69.112 -2.558 -3.498 1.00 0.00 H new ATOM 693 N GLU A 373 68.023 2.967 -4.647 1.00 0.00 N ATOM 694 CA GLU A 373 67.966 4.254 -3.963 1.00 0.00 C ATOM 695 C GLU A 373 69.345 4.674 -3.464 1.00 0.00 C ATOM 696 O GLU A 373 69.462 5.386 -2.466 1.00 0.00 O ATOM 697 CB GLU A 373 66.987 4.186 -2.789 1.00 0.00 C ATOM 698 CG GLU A 373 65.527 4.177 -3.214 1.00 0.00 C ATOM 699 CD GLU A 373 64.680 3.246 -2.368 1.00 0.00 C ATOM 700 OE1 GLU A 373 65.165 2.145 -2.030 1.00 0.00 O ATOM 701 OE2 GLU A 373 63.533 3.617 -2.044 1.00 0.00 O ATOM 0 H GLU A 373 68.666 2.294 -4.230 1.00 0.00 H new ATOM 0 HA GLU A 373 67.619 4.999 -4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 373 67.193 3.288 -2.207 1.00 0.00 H new ATOM 0 HB3 GLU A 373 67.160 5.038 -2.132 1.00 0.00 H new ATOM 0 HG2 GLU A 373 65.126 5.189 -3.147 1.00 0.00 H new ATOM 0 HG3 GLU A 373 65.458 3.876 -4.259 1.00 0.00 H new ATOM 708 N ALA A 374 70.386 4.233 -4.162 1.00 0.00 N ATOM 709 CA ALA A 374 71.754 4.568 -3.784 1.00 0.00 C ATOM 710 C ALA A 374 72.217 5.849 -4.473 1.00 0.00 C ATOM 711 O ALA A 374 71.798 6.147 -5.592 1.00 0.00 O ATOM 712 CB ALA A 374 72.692 3.418 -4.122 1.00 0.00 C ATOM 0 H ALA A 374 70.309 3.644 -4.991 1.00 0.00 H new ATOM 0 HA ALA A 374 71.775 4.737 -2.707 1.00 0.00 H new ATOM 0 HB1 ALA A 374 73.710 3.682 -3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 374 72.382 2.524 -3.580 1.00 0.00 H new ATOM 0 HB3 ALA A 374 72.657 3.223 -5.194 1.00 0.00 H new ATOM 718 N PRO A 375 73.091 6.628 -3.811 1.00 0.00 N ATOM 719 CA PRO A 375 73.607 7.880 -4.366 1.00 0.00 C ATOM 720 C PRO A 375 74.690 7.645 -5.414 1.00 0.00 C ATOM 721 O PRO A 375 75.393 6.635 -5.378 1.00 0.00 O ATOM 722 CB PRO A 375 74.190 8.585 -3.143 1.00 0.00 C ATOM 723 CG PRO A 375 74.613 7.478 -2.240 1.00 0.00 C ATOM 724 CD PRO A 375 73.644 6.348 -2.470 1.00 0.00 C ATOM 0 HA PRO A 375 72.835 8.452 -4.881 1.00 0.00 H new ATOM 0 HB2 PRO A 375 75.034 9.219 -3.415 1.00 0.00 H new ATOM 0 HB3 PRO A 375 73.450 9.227 -2.665 1.00 0.00 H new ATOM 0 HG2 PRO A 375 75.634 7.165 -2.461 1.00 0.00 H new ATOM 0 HG3 PRO A 375 74.596 7.798 -1.198 1.00 0.00 H new ATOM 0 HD2 PRO A 375 74.143 5.380 -2.437 1.00 0.00 H new ATOM 0 HD3 PRO A 375 72.862 6.330 -1.710 1.00 0.00 H new ATOM 732 N ALA A 376 74.818 8.582 -6.347 1.00 0.00 N ATOM 733 CA ALA A 376 75.816 8.476 -7.404 1.00 0.00 C ATOM 734 C ALA A 376 77.221 8.367 -6.823 1.00 0.00 C ATOM 735 O ALA A 376 77.750 9.331 -6.269 1.00 0.00 O ATOM 736 CB ALA A 376 75.720 9.671 -8.341 1.00 0.00 C ATOM 0 H ALA A 376 74.243 9.423 -6.393 1.00 0.00 H new ATOM 0 HA ALA A 376 75.615 7.567 -7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 376 76.471 9.579 -9.126 1.00 0.00 H new ATOM 0 HB2 ALA A 376 74.727 9.702 -8.790 1.00 0.00 H new ATOM 0 HB3 ALA A 376 75.893 10.589 -7.779 1.00 0.00 H new ATOM 742 N CYS A 377 77.821 7.188 -6.954 1.00 0.00 N ATOM 743 CA CYS A 377 79.167 6.954 -6.441 1.00 0.00 C ATOM 744 C CYS A 377 80.159 7.943 -7.043 1.00 0.00 C ATOM 745 O CYS A 377 80.311 8.021 -8.263 1.00 0.00 O ATOM 746 CB CYS A 377 79.609 5.521 -6.744 1.00 0.00 C ATOM 747 SG CYS A 377 80.800 4.840 -5.545 1.00 0.00 S ATOM 0 H CYS A 377 77.397 6.380 -7.411 1.00 0.00 H new ATOM 0 HA CYS A 377 79.147 7.100 -5.361 1.00 0.00 H new ATOM 0 HB2 CYS A 377 78.729 4.879 -6.770 1.00 0.00 H new ATOM 0 HB3 CYS A 377 80.054 5.492 -7.738 1.00 0.00 H new