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 334 HIS : no HD1:sc= -5.43! C(o=-26!,f=-30!) USER MOD Set 1.2: A 359 CYS SG : rot -148:sc= -8.64! USER MOD Set 1.3: A 362 CYS SG : rot 121:sc= -2.04 USER MOD Set 1.4: A 377 CYS SG : rot -133:sc= -9.85! USER MOD Set 2.1: A 346 CYS SG : rot 16:sc= -4.2! USER MOD Set 2.2: A 349 CYS SG : rot -116:sc= -1.37 USER MOD Set 2.3: A 353 MET CE :methyl -160:sc= -0.415 (180deg=-1.4!) USER MOD Set 2.4: A 367 HIS : no HE2:sc= -11.6! C(o=-18!,f=-37!) USER MOD Set 2.5: A 370 CYS SG : rot 147:sc= -0.872 USER MOD Set 3.1: A 338 THR OG1 : rot -118:sc= 0.867 USER MOD Set 3.2: A 368 ASN : amide:sc= -1.64 K(o=-0.77,f=-4.8!) USER MOD Single : A 337 SER OG : rot 180:sc= 0 USER MOD Single : A 339 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 SER OG : rot 180:sc= 0 USER MOD Single : A 344 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 347 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 350 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 352 SER OG : rot 180:sc= 0.0137 USER MOD Single : A 358 LYS NZ :NH3+ -109:sc= -0.237 (180deg=-1.27!) USER MOD Single : A 360 LYS NZ :NH3+ -176:sc= -1.52 (180deg=-1.63) USER MOD Single : A 361 HIS : no HD1:sc= -0.0629 X(o=-0.063,f=-0.26) USER MOD Single : A 365 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.862) USER MOD Single : A 366 CYS SG : rot -100:sc= -0.692 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+ -171:sc= 0 (180deg=-0.0306) USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 334 78.544 -2.954 -9.961 1.00 0.00 N ATOM 52 CA HIS A 334 78.859 -4.035 -9.035 1.00 0.00 C ATOM 53 C HIS A 334 77.620 -4.453 -8.251 1.00 0.00 C ATOM 54 O HIS A 334 76.654 -3.696 -8.151 1.00 0.00 O ATOM 55 CB HIS A 334 79.974 -3.604 -8.078 1.00 0.00 C ATOM 56 CG HIS A 334 81.111 -2.911 -8.764 1.00 0.00 C ATOM 57 ND1 HIS A 334 82.113 -2.293 -8.055 1.00 0.00 N ATOM 58 CD2 HIS A 334 81.350 -2.762 -10.091 1.00 0.00 C ATOM 59 CE1 HIS A 334 82.932 -1.785 -8.960 1.00 0.00 C ATOM 60 NE2 HIS A 334 82.511 -2.043 -10.206 1.00 0.00 N ATOM 0 HA HIS A 334 79.203 -4.893 -9.612 1.00 0.00 H new ATOM 0 HB2 HIS A 334 79.557 -2.940 -7.321 1.00 0.00 H new ATOM 0 HB3 HIS A 334 80.355 -4.482 -7.556 1.00 0.00 H new ATOM 0 HD2 HIS A 334 80.742 -3.138 -10.901 1.00 0.00 H new ATOM 0 HE1 HIS A 334 83.829 -1.231 -8.725 1.00 0.00 H new ATOM 0 HE2 HIS A 334 82.967 -1.759 -11.073 1.00 0.00 H new ATOM 68 N ARG A 335 77.647 -5.663 -7.703 1.00 0.00 N ATOM 69 CA ARG A 335 76.517 -6.176 -6.938 1.00 0.00 C ATOM 70 C ARG A 335 76.695 -5.909 -5.447 1.00 0.00 C ATOM 71 O ARG A 335 77.615 -6.428 -4.816 1.00 0.00 O ATOM 72 CB ARG A 335 76.349 -7.677 -7.180 1.00 0.00 C ATOM 73 CG ARG A 335 76.485 -8.078 -8.640 1.00 0.00 C ATOM 74 CD ARG A 335 76.247 -9.567 -8.834 1.00 0.00 C ATOM 75 NE ARG A 335 75.604 -9.856 -10.113 1.00 0.00 N ATOM 76 CZ ARG A 335 76.193 -9.687 -11.294 1.00 0.00 C ATOM 77 NH1 ARG A 335 77.438 -9.231 -11.364 1.00 0.00 N ATOM 78 NH2 ARG A 335 75.536 -9.975 -12.410 1.00 0.00 N ATOM 0 H ARG A 335 78.436 -6.305 -7.774 1.00 0.00 H new ATOM 0 HA ARG A 335 75.621 -5.655 -7.276 1.00 0.00 H new ATOM 0 HB2 ARG A 335 77.092 -8.216 -6.593 1.00 0.00 H new ATOM 0 HB3 ARG A 335 75.369 -7.988 -6.816 1.00 0.00 H new ATOM 0 HG2 ARG A 335 75.772 -7.513 -9.241 1.00 0.00 H new ATOM 0 HG3 ARG A 335 77.481 -7.818 -8.998 1.00 0.00 H new ATOM 0 HD2 ARG A 335 77.198 -10.096 -8.779 1.00 0.00 H new ATOM 0 HD3 ARG A 335 75.625 -9.944 -8.022 1.00 0.00 H new ATOM 0 HE ARG A 335 74.647 -10.208 -10.100 1.00 0.00 H new ATOM 0 HH11 ARG A 335 77.948 -9.008 -10.509 1.00 0.00 H new ATOM 0 HH12 ARG A 335 77.884 -9.104 -12.272 1.00 0.00 H new ATOM 0 HH21 ARG A 335 74.579 -10.326 -12.363 1.00 0.00 H new ATOM 0 HH22 ARG A 335 75.987 -9.845 -13.315 1.00 0.00 H new ATOM 92 N PHE A 336 75.805 -5.092 -4.895 1.00 0.00 N ATOM 93 CA PHE A 336 75.838 -4.740 -3.498 1.00 0.00 C ATOM 94 C PHE A 336 74.774 -5.510 -2.716 1.00 0.00 C ATOM 95 O PHE A 336 73.724 -5.857 -3.258 1.00 0.00 O ATOM 96 CB PHE A 336 75.582 -3.243 -3.384 1.00 0.00 C ATOM 97 CG PHE A 336 76.793 -2.422 -3.038 1.00 0.00 C ATOM 98 CD1 PHE A 336 77.535 -2.698 -1.901 1.00 0.00 C ATOM 99 CD2 PHE A 336 77.183 -1.369 -3.850 1.00 0.00 C ATOM 100 CE1 PHE A 336 78.644 -1.937 -1.580 1.00 0.00 C ATOM 101 CE2 PHE A 336 78.292 -0.606 -3.534 1.00 0.00 C ATOM 102 CZ PHE A 336 79.023 -0.890 -2.397 1.00 0.00 C ATOM 0 H PHE A 336 75.041 -4.659 -5.414 1.00 0.00 H new ATOM 0 HA PHE A 336 76.810 -4.998 -3.078 1.00 0.00 H new ATOM 0 HB2 PHE A 336 75.175 -2.885 -4.330 1.00 0.00 H new ATOM 0 HB3 PHE A 336 74.818 -3.076 -2.625 1.00 0.00 H new ATOM 0 HD1 PHE A 336 77.244 -3.516 -1.259 1.00 0.00 H new ATOM 0 HD2 PHE A 336 76.614 -1.142 -4.740 1.00 0.00 H new ATOM 0 HE1 PHE A 336 79.214 -2.161 -0.690 1.00 0.00 H new ATOM 0 HE2 PHE A 336 78.586 0.211 -4.176 1.00 0.00 H new ATOM 0 HZ PHE A 336 79.889 -0.295 -2.147 1.00 0.00 H new ATOM 112 N SER A 337 75.043 -5.759 -1.440 1.00 0.00 N ATOM 113 CA SER A 337 74.094 -6.473 -0.584 1.00 0.00 C ATOM 114 C SER A 337 73.869 -5.706 0.716 1.00 0.00 C ATOM 115 O SER A 337 74.823 -5.334 1.391 1.00 0.00 O ATOM 116 CB SER A 337 74.606 -7.882 -0.280 1.00 0.00 C ATOM 117 OG SER A 337 74.272 -8.782 -1.322 1.00 0.00 O ATOM 0 H SER A 337 75.906 -5.480 -0.973 1.00 0.00 H new ATOM 0 HA SER A 337 73.144 -6.552 -1.113 1.00 0.00 H new ATOM 0 HB2 SER A 337 75.688 -7.859 -0.148 1.00 0.00 H new ATOM 0 HB3 SER A 337 74.178 -8.233 0.659 1.00 0.00 H new ATOM 0 HG SER A 337 74.612 -9.675 -1.104 1.00 0.00 H new ATOM 123 N THR A 338 72.607 -5.464 1.064 1.00 0.00 N ATOM 124 CA THR A 338 72.288 -4.724 2.283 1.00 0.00 C ATOM 125 C THR A 338 72.363 -5.605 3.524 1.00 0.00 C ATOM 126 O THR A 338 71.990 -6.778 3.501 1.00 0.00 O ATOM 127 CB THR A 338 70.898 -4.092 2.191 1.00 0.00 C ATOM 128 OG1 THR A 338 70.799 -3.263 1.047 1.00 0.00 O ATOM 129 CG2 THR A 338 70.546 -3.250 3.404 1.00 0.00 C ATOM 0 H THR A 338 71.795 -5.766 0.525 1.00 0.00 H new ATOM 0 HA THR A 338 73.038 -3.939 2.376 1.00 0.00 H new ATOM 0 HB THR A 338 70.200 -4.927 2.132 1.00 0.00 H new ATOM 0 HG1 THR A 338 70.630 -2.339 1.326 1.00 0.00 H new ATOM 0 HG21 THR A 338 69.548 -2.829 3.278 1.00 0.00 H new ATOM 0 HG22 THR A 338 70.567 -3.873 4.298 1.00 0.00 H new ATOM 0 HG23 THR A 338 71.270 -2.442 3.508 1.00 0.00 H new ATOM 137 N LYS A 339 72.846 -5.010 4.607 1.00 0.00 N ATOM 138 CA LYS A 339 72.980 -5.697 5.881 1.00 0.00 C ATOM 139 C LYS A 339 72.781 -4.711 7.030 1.00 0.00 C ATOM 140 O LYS A 339 73.158 -3.538 6.929 1.00 0.00 O ATOM 141 CB LYS A 339 74.355 -6.359 5.989 1.00 0.00 C ATOM 142 CG LYS A 339 74.328 -7.705 6.695 1.00 0.00 C ATOM 143 CD LYS A 339 75.313 -8.681 6.073 1.00 0.00 C ATOM 144 CE LYS A 339 74.698 -9.418 4.895 1.00 0.00 C ATOM 145 NZ LYS A 339 75.218 -10.809 4.777 1.00 0.00 N ATOM 0 H LYS A 339 73.155 -4.038 4.625 1.00 0.00 H new ATOM 0 HA LYS A 339 72.216 -6.472 5.941 1.00 0.00 H new ATOM 0 HB2 LYS A 339 74.765 -6.491 4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 339 75.030 -5.691 6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 339 74.567 -7.568 7.750 1.00 0.00 H new ATOM 0 HG3 LYS A 339 73.322 -8.122 6.647 1.00 0.00 H new ATOM 0 HD2 LYS A 339 76.201 -8.142 5.743 1.00 0.00 H new ATOM 0 HD3 LYS A 339 75.638 -9.401 6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 339 73.614 -9.444 5.009 1.00 0.00 H new ATOM 0 HE3 LYS A 339 74.909 -8.872 3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 74.774 -11.278 3.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 76.249 -10.784 4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 74.995 -11.338 5.644 1.00 0.00 H new ATOM 159 N SER A 340 72.180 -5.192 8.114 1.00 0.00 N ATOM 160 CA SER A 340 71.919 -4.358 9.282 1.00 0.00 C ATOM 161 C SER A 340 72.569 -4.957 10.531 1.00 0.00 C ATOM 162 O SER A 340 73.591 -5.637 10.438 1.00 0.00 O ATOM 163 CB SER A 340 70.409 -4.202 9.483 1.00 0.00 C ATOM 164 OG SER A 340 70.125 -3.285 10.526 1.00 0.00 O ATOM 0 H SER A 340 71.864 -6.157 8.208 1.00 0.00 H new ATOM 0 HA SER A 340 72.356 -3.374 9.114 1.00 0.00 H new ATOM 0 HB2 SER A 340 69.949 -3.858 8.557 1.00 0.00 H new ATOM 0 HB3 SER A 340 69.968 -5.171 9.717 1.00 0.00 H new ATOM 0 HG SER A 340 69.154 -3.202 10.633 1.00 0.00 H new ATOM 224 N GLN A 344 77.829 -0.628 11.565 1.00 0.00 N ATOM 225 CA GLN A 344 78.535 0.641 11.730 1.00 0.00 C ATOM 226 C GLN A 344 77.842 1.760 10.957 1.00 0.00 C ATOM 227 O GLN A 344 76.806 1.548 10.327 1.00 0.00 O ATOM 228 CB GLN A 344 79.990 0.514 11.263 1.00 0.00 C ATOM 229 CG GLN A 344 80.989 0.422 12.405 1.00 0.00 C ATOM 230 CD GLN A 344 81.593 1.767 12.760 1.00 0.00 C ATOM 231 OE1 GLN A 344 82.471 2.271 12.061 1.00 0.00 O ATOM 232 NE2 GLN A 344 81.123 2.356 13.854 1.00 0.00 N ATOM 0 HA GLN A 344 78.521 0.891 12.791 1.00 0.00 H new ATOM 0 HB2 GLN A 344 80.085 -0.372 10.635 1.00 0.00 H new ATOM 0 HB3 GLN A 344 80.240 1.374 10.641 1.00 0.00 H new ATOM 0 HG2 GLN A 344 80.494 0.007 13.283 1.00 0.00 H new ATOM 0 HG3 GLN A 344 81.786 -0.269 12.131 1.00 0.00 H new ATOM 0 HE21 GLN A 344 80.394 1.902 14.405 1.00 0.00 H new ATOM 0 HE22 GLN A 344 81.491 3.262 14.143 1.00 0.00 H new ATOM 241 N VAL A 345 78.431 2.950 11.010 1.00 0.00 N ATOM 242 CA VAL A 345 77.890 4.114 10.318 1.00 0.00 C ATOM 243 C VAL A 345 78.218 4.058 8.825 1.00 0.00 C ATOM 244 O VAL A 345 79.305 3.629 8.438 1.00 0.00 O ATOM 245 CB VAL A 345 78.454 5.420 10.913 1.00 0.00 C ATOM 246 CG1 VAL A 345 79.969 5.459 10.778 1.00 0.00 C ATOM 247 CG2 VAL A 345 77.819 6.636 10.254 1.00 0.00 C ATOM 0 H VAL A 345 79.289 3.134 11.529 1.00 0.00 H new ATOM 0 HA VAL A 345 76.808 4.100 10.450 1.00 0.00 H new ATOM 0 HB VAL A 345 78.205 5.446 11.974 1.00 0.00 H new ATOM 0 HG11 VAL A 345 80.348 6.388 11.203 1.00 0.00 H new ATOM 0 HG12 VAL A 345 80.404 4.612 11.310 1.00 0.00 H new ATOM 0 HG13 VAL A 345 80.242 5.405 9.724 1.00 0.00 H new ATOM 0 HG21 VAL A 345 78.233 7.545 10.691 1.00 0.00 H new ATOM 0 HG22 VAL A 345 78.027 6.620 9.184 1.00 0.00 H new ATOM 0 HG23 VAL A 345 76.741 6.615 10.414 1.00 0.00 H new ATOM 257 N CYS A 346 77.270 4.490 7.993 1.00 0.00 N ATOM 258 CA CYS A 346 77.451 4.491 6.538 1.00 0.00 C ATOM 259 C CYS A 346 78.855 4.964 6.150 1.00 0.00 C ATOM 260 O CYS A 346 79.423 5.844 6.796 1.00 0.00 O ATOM 261 CB CYS A 346 76.389 5.383 5.885 1.00 0.00 C ATOM 262 SG CYS A 346 76.567 5.570 4.080 1.00 0.00 S ATOM 0 H CYS A 346 76.365 4.845 8.302 1.00 0.00 H new ATOM 0 HA CYS A 346 77.336 3.469 6.178 1.00 0.00 H new ATOM 0 HB2 CYS A 346 75.403 4.970 6.100 1.00 0.00 H new ATOM 0 HB3 CYS A 346 76.428 6.370 6.346 1.00 0.00 H new ATOM 0 HG CYS A 346 77.362 4.648 3.624 1.00 0.00 H new ATOM 267 N ASN A 347 79.410 4.366 5.095 1.00 0.00 N ATOM 268 CA ASN A 347 80.749 4.721 4.628 1.00 0.00 C ATOM 269 C ASN A 347 80.699 5.785 3.532 1.00 0.00 C ATOM 270 O ASN A 347 81.585 5.856 2.680 1.00 0.00 O ATOM 271 CB ASN A 347 81.478 3.484 4.105 1.00 0.00 C ATOM 272 CG ASN A 347 82.465 2.924 5.111 1.00 0.00 C ATOM 273 OD1 ASN A 347 83.678 3.043 4.941 1.00 0.00 O ATOM 274 ND2 ASN A 347 81.947 2.308 6.168 1.00 0.00 N ATOM 0 H ASN A 347 78.953 3.635 4.549 1.00 0.00 H new ATOM 0 HA ASN A 347 81.292 5.131 5.480 1.00 0.00 H new ATOM 0 HB2 ASN A 347 80.748 2.716 3.851 1.00 0.00 H new ATOM 0 HB3 ASN A 347 82.006 3.739 3.186 1.00 0.00 H new ATOM 0 HD21 ASN A 347 82.561 1.911 6.879 1.00 0.00 H new ATOM 0 HD22 ASN A 347 80.935 2.232 6.269 1.00 0.00 H new ATOM 281 N VAL A 348 79.664 6.608 3.565 1.00 0.00 N ATOM 282 CA VAL A 348 79.496 7.672 2.581 1.00 0.00 C ATOM 283 C VAL A 348 79.092 8.978 3.259 1.00 0.00 C ATOM 284 O VAL A 348 79.896 9.902 3.377 1.00 0.00 O ATOM 285 CB VAL A 348 78.440 7.298 1.521 1.00 0.00 C ATOM 286 CG1 VAL A 348 78.331 8.386 0.461 1.00 0.00 C ATOM 287 CG2 VAL A 348 78.776 5.957 0.886 1.00 0.00 C ATOM 0 H VAL A 348 78.923 6.562 4.264 1.00 0.00 H new ATOM 0 HA VAL A 348 80.457 7.806 2.084 1.00 0.00 H new ATOM 0 HB VAL A 348 77.473 7.210 2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 348 77.581 8.102 -0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 348 78.039 9.325 0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 348 79.295 8.511 -0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 348 78.021 5.708 0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 348 79.753 6.016 0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 348 78.795 5.185 1.655 1.00 0.00 H new ATOM 297 N CYS A 349 77.843 9.045 3.711 1.00 0.00 N ATOM 298 CA CYS A 349 77.339 10.235 4.385 1.00 0.00 C ATOM 299 C CYS A 349 77.737 10.218 5.856 1.00 0.00 C ATOM 300 O CYS A 349 78.010 11.261 6.451 1.00 0.00 O ATOM 301 CB CYS A 349 75.817 10.318 4.254 1.00 0.00 C ATOM 302 SG CYS A 349 74.938 8.839 4.855 1.00 0.00 S ATOM 0 H CYS A 349 77.163 8.290 3.622 1.00 0.00 H new ATOM 0 HA CYS A 349 77.779 11.113 3.912 1.00 0.00 H new ATOM 0 HB2 CYS A 349 75.462 11.188 4.806 1.00 0.00 H new ATOM 0 HB3 CYS A 349 75.561 10.479 3.207 1.00 0.00 H new ATOM 0 HG CYS A 349 74.314 8.273 3.865 1.00 0.00 H new ATOM 307 N GLN A 350 77.775 9.021 6.431 1.00 0.00 N ATOM 308 CA GLN A 350 78.148 8.849 7.830 1.00 0.00 C ATOM 309 C GLN A 350 77.255 9.675 8.750 1.00 0.00 C ATOM 310 O GLN A 350 77.553 10.834 9.042 1.00 0.00 O ATOM 311 CB GLN A 350 79.612 9.239 8.039 1.00 0.00 C ATOM 312 CG GLN A 350 80.581 8.081 7.866 1.00 0.00 C ATOM 313 CD GLN A 350 81.994 8.436 8.287 1.00 0.00 C ATOM 314 OE1 GLN A 350 82.411 8.147 9.409 1.00 0.00 O ATOM 315 NE2 GLN A 350 82.739 9.066 7.387 1.00 0.00 N ATOM 0 H GLN A 350 77.551 8.152 5.947 1.00 0.00 H new ATOM 0 HA GLN A 350 78.015 7.797 8.083 1.00 0.00 H new ATOM 0 HB2 GLN A 350 79.873 10.029 7.334 1.00 0.00 H new ATOM 0 HB3 GLN A 350 79.729 9.654 9.040 1.00 0.00 H new ATOM 0 HG2 GLN A 350 80.234 7.231 8.453 1.00 0.00 H new ATOM 0 HG3 GLN A 350 80.585 7.768 6.822 1.00 0.00 H new ATOM 0 HE21 GLN A 350 82.353 9.286 6.469 1.00 0.00 H new ATOM 0 HE22 GLN A 350 83.698 9.330 7.613 1.00 0.00 H new ATOM 324 N LYS A 351 76.165 9.071 9.214 1.00 0.00 N ATOM 325 CA LYS A 351 75.241 9.756 10.111 1.00 0.00 C ATOM 326 C LYS A 351 74.593 8.769 11.086 1.00 0.00 C ATOM 327 O LYS A 351 75.112 7.676 11.309 1.00 0.00 O ATOM 328 CB LYS A 351 74.178 10.517 9.309 1.00 0.00 C ATOM 329 CG LYS A 351 73.074 9.637 8.744 1.00 0.00 C ATOM 330 CD LYS A 351 71.712 10.003 9.321 1.00 0.00 C ATOM 331 CE LYS A 351 70.791 10.578 8.257 1.00 0.00 C ATOM 332 NZ LYS A 351 69.919 11.656 8.800 1.00 0.00 N ATOM 0 H LYS A 351 75.901 8.113 8.985 1.00 0.00 H new ATOM 0 HA LYS A 351 75.806 10.480 10.698 1.00 0.00 H new ATOM 0 HB2 LYS A 351 73.730 11.276 9.950 1.00 0.00 H new ATOM 0 HB3 LYS A 351 74.666 11.041 8.487 1.00 0.00 H new ATOM 0 HG2 LYS A 351 73.048 9.737 7.659 1.00 0.00 H new ATOM 0 HG3 LYS A 351 73.293 8.592 8.963 1.00 0.00 H new ATOM 0 HD2 LYS A 351 71.253 9.118 9.761 1.00 0.00 H new ATOM 0 HD3 LYS A 351 71.839 10.729 10.124 1.00 0.00 H new ATOM 0 HE2 LYS A 351 71.388 10.974 7.435 1.00 0.00 H new ATOM 0 HE3 LYS A 351 70.170 9.782 7.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 69.307 12.021 8.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 69.330 11.273 9.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 70.510 12.428 9.170 1.00 0.00 H new ATOM 346 N SER A 352 73.470 9.166 11.679 1.00 0.00 N ATOM 347 CA SER A 352 72.774 8.320 12.645 1.00 0.00 C ATOM 348 C SER A 352 71.901 7.265 11.966 1.00 0.00 C ATOM 349 O SER A 352 70.744 7.524 11.634 1.00 0.00 O ATOM 350 CB SER A 352 71.915 9.181 13.573 1.00 0.00 C ATOM 351 OG SER A 352 72.412 10.506 13.645 1.00 0.00 O ATOM 0 H SER A 352 73.023 10.067 11.508 1.00 0.00 H new ATOM 0 HA SER A 352 73.535 7.796 13.224 1.00 0.00 H new ATOM 0 HB2 SER A 352 70.886 9.194 13.213 1.00 0.00 H new ATOM 0 HB3 SER A 352 71.898 8.741 14.570 1.00 0.00 H new ATOM 0 HG SER A 352 71.845 11.036 14.243 1.00 0.00 H new ATOM 357 N MET A 353 72.457 6.069 11.785 1.00 0.00 N ATOM 358 CA MET A 353 71.725 4.963 11.171 1.00 0.00 C ATOM 359 C MET A 353 72.608 3.725 11.078 1.00 0.00 C ATOM 360 O MET A 353 73.791 3.774 11.414 1.00 0.00 O ATOM 361 CB MET A 353 71.204 5.340 9.779 1.00 0.00 C ATOM 362 CG MET A 353 72.136 6.235 8.977 1.00 0.00 C ATOM 363 SD MET A 353 71.255 7.275 7.792 1.00 0.00 S ATOM 364 CE MET A 353 69.871 6.225 7.352 1.00 0.00 C ATOM 0 H MET A 353 73.414 5.841 12.055 1.00 0.00 H new ATOM 0 HA MET A 353 70.867 4.743 11.807 1.00 0.00 H new ATOM 0 HB2 MET A 353 71.023 4.426 9.213 1.00 0.00 H new ATOM 0 HB3 MET A 353 70.243 5.843 9.889 1.00 0.00 H new ATOM 0 HG2 MET A 353 72.702 6.869 9.660 1.00 0.00 H new ATOM 0 HG3 MET A 353 72.858 5.616 8.445 1.00 0.00 H new ATOM 0 HE1 MET A 353 69.450 6.556 6.402 1.00 0.00 H new ATOM 0 HE2 MET A 353 70.212 5.194 7.258 1.00 0.00 H new ATOM 0 HE3 MET A 353 69.108 6.285 8.128 1.00 0.00 H new ATOM 374 N ILE A 354 72.052 2.634 10.560 1.00 0.00 N ATOM 375 CA ILE A 354 72.798 1.441 10.358 1.00 0.00 C ATOM 376 C ILE A 354 72.365 0.830 9.062 1.00 0.00 C ATOM 377 O ILE A 354 71.443 0.019 8.972 1.00 0.00 O ATOM 378 CB ILE A 354 72.589 0.424 11.477 1.00 0.00 C ATOM 379 CG1 ILE A 354 73.186 0.950 12.778 1.00 0.00 C ATOM 380 CG2 ILE A 354 73.193 -0.927 11.105 1.00 0.00 C ATOM 381 CD1 ILE A 354 72.174 1.616 13.685 1.00 0.00 C ATOM 0 H ILE A 354 71.074 2.573 10.276 1.00 0.00 H new ATOM 0 HA ILE A 354 73.856 1.703 10.348 1.00 0.00 H new ATOM 0 HB ILE A 354 71.518 0.278 11.620 1.00 0.00 H new ATOM 0 HG12 ILE A 354 73.653 0.123 13.314 1.00 0.00 H new ATOM 0 HG13 ILE A 354 73.976 1.664 12.543 1.00 0.00 H new ATOM 0 HG21 ILE A 354 73.031 -1.634 11.918 1.00 0.00 H new ATOM 0 HG22 ILE A 354 72.717 -1.301 10.199 1.00 0.00 H new ATOM 0 HG23 ILE A 354 74.263 -0.812 10.932 1.00 0.00 H new ATOM 0 HD11 ILE A 354 72.671 1.965 14.590 1.00 0.00 H new ATOM 0 HD12 ILE A 354 71.724 2.464 13.168 1.00 0.00 H new ATOM 0 HD13 ILE A 354 71.397 0.900 13.951 1.00 0.00 H new ATOM 393 N PHE A 355 73.097 1.220 8.105 1.00 0.00 N ATOM 394 CA PHE A 355 72.948 0.757 6.737 1.00 0.00 C ATOM 395 C PHE A 355 74.321 0.505 6.133 1.00 0.00 C ATOM 396 O PHE A 355 75.142 1.419 6.055 1.00 0.00 O ATOM 397 CB PHE A 355 72.180 1.783 5.904 1.00 0.00 C ATOM 398 CG PHE A 355 70.721 1.461 5.752 1.00 0.00 C ATOM 399 CD1 PHE A 355 69.806 1.860 6.714 1.00 0.00 C ATOM 400 CD2 PHE A 355 70.264 0.758 4.649 1.00 0.00 C ATOM 401 CE1 PHE A 355 68.463 1.564 6.578 1.00 0.00 C ATOM 402 CE2 PHE A 355 68.922 0.460 4.507 1.00 0.00 C ATOM 403 CZ PHE A 355 68.020 0.864 5.473 1.00 0.00 C ATOM 0 H PHE A 355 73.853 1.895 8.225 1.00 0.00 H new ATOM 0 HA PHE A 355 72.380 -0.174 6.737 1.00 0.00 H new ATOM 0 HB2 PHE A 355 72.281 2.764 6.368 1.00 0.00 H new ATOM 0 HB3 PHE A 355 72.634 1.850 4.915 1.00 0.00 H new ATOM 0 HD1 PHE A 355 70.147 2.409 7.580 1.00 0.00 H new ATOM 0 HD2 PHE A 355 70.965 0.439 3.891 1.00 0.00 H new ATOM 0 HE1 PHE A 355 67.761 1.880 7.335 1.00 0.00 H new ATOM 0 HE2 PHE A 355 68.579 -0.088 3.642 1.00 0.00 H new ATOM 0 HZ PHE A 355 66.971 0.633 5.364 1.00 0.00 H new ATOM 413 N GLY A 356 74.575 -0.722 5.699 1.00 0.00 N ATOM 414 CA GLY A 356 75.864 -1.018 5.108 1.00 0.00 C ATOM 415 C GLY A 356 75.801 -2.116 4.085 1.00 0.00 C ATOM 416 O GLY A 356 75.492 -3.260 4.403 1.00 0.00 O ATOM 0 H GLY A 356 73.924 -1.506 5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 356 76.259 -0.116 4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 356 76.562 -1.302 5.895 1.00 0.00 H new ATOM 420 N VAL A 357 76.117 -1.766 2.857 1.00 0.00 N ATOM 421 CA VAL A 357 76.116 -2.728 1.769 1.00 0.00 C ATOM 422 C VAL A 357 77.535 -3.010 1.305 1.00 0.00 C ATOM 423 O VAL A 357 78.383 -2.118 1.297 1.00 0.00 O ATOM 424 CB VAL A 357 75.265 -2.252 0.573 1.00 0.00 C ATOM 425 CG1 VAL A 357 73.821 -2.036 0.999 1.00 0.00 C ATOM 426 CG2 VAL A 357 75.844 -0.983 -0.037 1.00 0.00 C ATOM 0 H VAL A 357 76.379 -0.819 2.583 1.00 0.00 H new ATOM 0 HA VAL A 357 75.669 -3.644 2.155 1.00 0.00 H new ATOM 0 HB VAL A 357 75.286 -3.030 -0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 357 73.235 -1.700 0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 357 73.409 -2.972 1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 357 73.782 -1.280 1.784 1.00 0.00 H new ATOM 0 HG21 VAL A 357 75.226 -0.669 -0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 357 75.863 -0.194 0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 357 76.859 -1.177 -0.385 1.00 0.00 H new ATOM 436 N LYS A 358 77.793 -4.254 0.931 1.00 0.00 N ATOM 437 CA LYS A 358 79.114 -4.651 0.477 1.00 0.00 C ATOM 438 C LYS A 358 79.083 -5.096 -0.978 1.00 0.00 C ATOM 439 O LYS A 358 78.324 -5.994 -1.349 1.00 0.00 O ATOM 440 CB LYS A 358 79.659 -5.779 1.355 1.00 0.00 C ATOM 441 CG LYS A 358 81.128 -6.083 1.113 1.00 0.00 C ATOM 442 CD LYS A 358 81.536 -7.403 1.747 1.00 0.00 C ATOM 443 CE LYS A 358 80.940 -8.587 1.002 1.00 0.00 C ATOM 444 NZ LYS A 358 79.713 -9.103 1.669 1.00 0.00 N ATOM 0 H LYS A 358 77.103 -5.005 0.934 1.00 0.00 H new ATOM 0 HA LYS A 358 79.771 -3.785 0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 358 79.520 -5.512 2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 358 79.075 -6.682 1.176 1.00 0.00 H new ATOM 0 HG2 LYS A 358 81.321 -6.118 0.041 1.00 0.00 H new ATOM 0 HG3 LYS A 358 81.739 -5.278 1.521 1.00 0.00 H new ATOM 0 HD2 LYS A 358 82.623 -7.485 1.752 1.00 0.00 H new ATOM 0 HD3 LYS A 358 81.210 -7.425 2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 358 80.700 -8.290 -0.019 1.00 0.00 H new ATOM 0 HE3 LYS A 358 81.680 -9.384 0.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 358 79.916 -10.026 2.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 358 79.410 -8.433 2.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 358 78.955 -9.211 0.965 1.00 0.00 H new ATOM 458 N CYS A 359 79.921 -4.469 -1.796 1.00 0.00 N ATOM 459 CA CYS A 359 80.007 -4.809 -3.209 1.00 0.00 C ATOM 460 C CYS A 359 81.238 -5.664 -3.454 1.00 0.00 C ATOM 461 O CYS A 359 82.318 -5.363 -2.946 1.00 0.00 O ATOM 462 CB CYS A 359 80.066 -3.547 -4.079 1.00 0.00 C ATOM 463 SG CYS A 359 81.662 -2.661 -4.030 1.00 0.00 S ATOM 0 H CYS A 359 80.551 -3.722 -1.503 1.00 0.00 H new ATOM 0 HA CYS A 359 79.112 -5.368 -3.483 1.00 0.00 H new ATOM 0 HB2 CYS A 359 79.851 -3.823 -5.111 1.00 0.00 H new ATOM 0 HB3 CYS A 359 79.277 -2.865 -3.760 1.00 0.00 H new ATOM 0 HG CYS A 359 81.455 -1.386 -4.172 1.00 0.00 H new ATOM 468 N LYS A 360 81.082 -6.720 -4.239 1.00 0.00 N ATOM 469 CA LYS A 360 82.163 -7.584 -4.548 1.00 0.00 C ATOM 470 C LYS A 360 83.034 -6.953 -5.609 1.00 0.00 C ATOM 471 O LYS A 360 82.925 -5.762 -5.901 1.00 0.00 O ATOM 472 CB LYS A 360 81.602 -8.927 -5.009 1.00 0.00 C ATOM 473 CG LYS A 360 81.721 -10.043 -3.977 1.00 0.00 C ATOM 474 CD LYS A 360 81.290 -9.593 -2.585 1.00 0.00 C ATOM 475 CE LYS A 360 79.794 -9.763 -2.371 1.00 0.00 C ATOM 476 NZ LYS A 360 79.006 -9.411 -3.585 1.00 0.00 N ATOM 0 H LYS A 360 80.195 -6.984 -4.669 1.00 0.00 H new ATOM 0 HA LYS A 360 82.783 -7.749 -3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 360 80.551 -8.799 -5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 360 82.121 -9.232 -5.918 1.00 0.00 H new ATOM 0 HG2 LYS A 360 81.109 -10.889 -4.288 1.00 0.00 H new ATOM 0 HG3 LYS A 360 82.753 -10.392 -3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 360 81.832 -10.168 -1.834 1.00 0.00 H new ATOM 0 HD3 LYS A 360 81.560 -8.547 -2.442 1.00 0.00 H new ATOM 0 HE2 LYS A 360 79.584 -10.795 -2.091 1.00 0.00 H new ATOM 0 HE3 LYS A 360 79.475 -9.136 -1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 360 77.990 -9.477 -3.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 360 79.236 -8.440 -3.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 360 79.241 -10.070 -4.355 1.00 0.00 H new ATOM 490 N HIS A 361 83.901 -7.756 -6.163 1.00 0.00 N ATOM 491 CA HIS A 361 84.837 -7.308 -7.193 1.00 0.00 C ATOM 492 C HIS A 361 85.880 -6.351 -6.606 1.00 0.00 C ATOM 493 O HIS A 361 87.041 -6.357 -7.015 1.00 0.00 O ATOM 494 CB HIS A 361 84.086 -6.628 -8.342 1.00 0.00 C ATOM 495 CG HIS A 361 84.043 -7.445 -9.596 1.00 0.00 C ATOM 496 ND1 HIS A 361 83.885 -8.815 -9.596 1.00 0.00 N ATOM 497 CD2 HIS A 361 84.139 -7.079 -10.896 1.00 0.00 C ATOM 498 CE1 HIS A 361 83.886 -9.256 -10.841 1.00 0.00 C ATOM 499 NE2 HIS A 361 84.038 -8.223 -11.649 1.00 0.00 N ATOM 0 H HIS A 361 83.989 -8.743 -5.922 1.00 0.00 H new ATOM 0 HA HIS A 361 85.355 -8.185 -7.581 1.00 0.00 H new ATOM 0 HB2 HIS A 361 83.066 -6.414 -8.022 1.00 0.00 H new ATOM 0 HB3 HIS A 361 84.560 -5.670 -8.558 1.00 0.00 H new ATOM 0 HD2 HIS A 361 84.270 -6.075 -11.271 1.00 0.00 H new ATOM 0 HE1 HIS A 361 83.780 -10.287 -11.146 1.00 0.00 H new ATOM 0 HE2 HIS A 361 84.074 -8.267 -12.667 1.00 0.00 H new ATOM 508 N CYS A 362 85.454 -5.528 -5.648 1.00 0.00 N ATOM 509 CA CYS A 362 86.339 -4.562 -5.004 1.00 0.00 C ATOM 510 C CYS A 362 86.251 -4.673 -3.483 1.00 0.00 C ATOM 511 O CYS A 362 87.259 -4.562 -2.785 1.00 0.00 O ATOM 512 CB CYS A 362 85.983 -3.131 -5.434 1.00 0.00 C ATOM 513 SG CYS A 362 84.845 -3.021 -6.856 1.00 0.00 S ATOM 0 H CYS A 362 84.495 -5.513 -5.300 1.00 0.00 H new ATOM 0 HA CYS A 362 87.359 -4.787 -5.317 1.00 0.00 H new ATOM 0 HB2 CYS A 362 85.534 -2.613 -4.586 1.00 0.00 H new ATOM 0 HB3 CYS A 362 86.903 -2.601 -5.681 1.00 0.00 H new ATOM 0 HG CYS A 362 83.774 -2.373 -6.506 1.00 0.00 H new ATOM 518 N ARG A 363 85.034 -4.887 -2.977 1.00 0.00 N ATOM 519 CA ARG A 363 84.797 -5.009 -1.537 1.00 0.00 C ATOM 520 C ARG A 363 84.737 -3.633 -0.876 1.00 0.00 C ATOM 521 O ARG A 363 85.660 -3.233 -0.166 1.00 0.00 O ATOM 522 CB ARG A 363 85.885 -5.862 -0.875 1.00 0.00 C ATOM 523 CG ARG A 363 85.393 -6.648 0.329 1.00 0.00 C ATOM 524 CD ARG A 363 85.221 -5.753 1.546 1.00 0.00 C ATOM 525 NE ARG A 363 86.476 -5.113 1.937 1.00 0.00 N ATOM 526 CZ ARG A 363 87.449 -5.734 2.599 1.00 0.00 C ATOM 527 NH1 ARG A 363 87.318 -7.008 2.946 1.00 0.00 N ATOM 528 NH2 ARG A 363 88.558 -5.078 2.915 1.00 0.00 N ATOM 0 H ARG A 363 84.193 -4.980 -3.547 1.00 0.00 H new ATOM 0 HA ARG A 363 83.835 -5.503 -1.400 1.00 0.00 H new ATOM 0 HB2 ARG A 363 86.289 -6.557 -1.612 1.00 0.00 H new ATOM 0 HB3 ARG A 363 86.705 -5.214 -0.565 1.00 0.00 H new ATOM 0 HG2 ARG A 363 84.443 -7.125 0.090 1.00 0.00 H new ATOM 0 HG3 ARG A 363 86.101 -7.445 0.559 1.00 0.00 H new ATOM 0 HD2 ARG A 363 84.475 -4.988 1.331 1.00 0.00 H new ATOM 0 HD3 ARG A 363 84.840 -6.343 2.379 1.00 0.00 H new ATOM 0 HE ARG A 363 86.614 -4.134 1.688 1.00 0.00 H new ATOM 0 HH11 ARG A 363 86.468 -7.517 2.705 1.00 0.00 H new ATOM 0 HH12 ARG A 363 88.068 -7.478 3.453 1.00 0.00 H new ATOM 0 HH21 ARG A 363 88.664 -4.099 2.651 1.00 0.00 H new ATOM 0 HH22 ARG A 363 89.304 -5.553 3.422 1.00 0.00 H new ATOM 542 N LEU A 364 83.642 -2.914 -1.112 1.00 0.00 N ATOM 543 CA LEU A 364 83.459 -1.582 -0.537 1.00 0.00 C ATOM 544 C LEU A 364 82.247 -1.558 0.390 1.00 0.00 C ATOM 545 O LEU A 364 81.465 -2.506 0.417 1.00 0.00 O ATOM 546 CB LEU A 364 83.287 -0.544 -1.649 1.00 0.00 C ATOM 547 CG LEU A 364 83.967 0.802 -1.392 1.00 0.00 C ATOM 548 CD1 LEU A 364 85.475 0.632 -1.308 1.00 0.00 C ATOM 549 CD2 LEU A 364 83.601 1.799 -2.481 1.00 0.00 C ATOM 0 H LEU A 364 82.868 -3.230 -1.697 1.00 0.00 H new ATOM 0 HA LEU A 364 84.347 -1.335 0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 364 83.679 -0.960 -2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 364 82.222 -0.372 -1.802 1.00 0.00 H new ATOM 0 HG LEU A 364 83.613 1.190 -0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 364 85.941 1.600 -1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 364 85.720 -0.048 -0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 364 85.848 0.222 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 364 84.093 2.751 -2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 364 83.926 1.417 -3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 364 82.521 1.944 -2.493 1.00 0.00 H new ATOM 561 N LYS A 365 82.089 -0.473 1.147 1.00 0.00 N ATOM 562 CA LYS A 365 80.962 -0.348 2.062 1.00 0.00 C ATOM 563 C LYS A 365 80.256 0.989 1.873 1.00 0.00 C ATOM 564 O LYS A 365 80.892 2.041 1.842 1.00 0.00 O ATOM 565 CB LYS A 365 81.432 -0.490 3.510 1.00 0.00 C ATOM 566 CG LYS A 365 81.941 -1.881 3.850 1.00 0.00 C ATOM 567 CD LYS A 365 83.374 -2.079 3.384 1.00 0.00 C ATOM 568 CE LYS A 365 84.159 -2.949 4.353 1.00 0.00 C ATOM 569 NZ LYS A 365 83.761 -4.381 4.263 1.00 0.00 N ATOM 0 H LYS A 365 82.724 0.325 1.143 1.00 0.00 H new ATOM 0 HA LYS A 365 80.255 -1.147 1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 365 82.225 0.234 3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 365 80.607 -0.241 4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 365 81.883 -2.038 4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 365 81.299 -2.629 3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 365 83.376 -2.539 2.396 1.00 0.00 H new ATOM 0 HD3 LYS A 365 83.863 -1.110 3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 365 85.225 -2.855 4.144 1.00 0.00 H new ATOM 0 HE3 LYS A 365 84.001 -2.592 5.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 84.554 -4.981 4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 82.940 -4.552 4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 83.511 -4.611 3.280 1.00 0.00 H new ATOM 583 N CYS A 366 78.936 0.936 1.743 1.00 0.00 N ATOM 584 CA CYS A 366 78.134 2.139 1.556 1.00 0.00 C ATOM 585 C CYS A 366 76.679 1.887 1.939 1.00 0.00 C ATOM 586 O CYS A 366 76.235 0.742 1.997 1.00 0.00 O ATOM 587 CB CYS A 366 78.224 2.626 0.107 1.00 0.00 C ATOM 588 SG CYS A 366 77.442 1.528 -1.098 1.00 0.00 S ATOM 0 H CYS A 366 78.397 0.070 1.764 1.00 0.00 H new ATOM 0 HA CYS A 366 78.532 2.915 2.210 1.00 0.00 H new ATOM 0 HB2 CYS A 366 77.761 3.610 0.038 1.00 0.00 H new ATOM 0 HB3 CYS A 366 79.274 2.748 -0.158 1.00 0.00 H new ATOM 0 HG CYS A 366 78.353 0.811 -1.686 1.00 0.00 H new ATOM 594 N HIS A 367 75.941 2.964 2.195 1.00 0.00 N ATOM 595 CA HIS A 367 74.528 2.865 2.562 1.00 0.00 C ATOM 596 C HIS A 367 73.803 1.866 1.663 1.00 0.00 C ATOM 597 O HIS A 367 73.298 0.842 2.123 1.00 0.00 O ATOM 598 CB HIS A 367 73.864 4.239 2.435 1.00 0.00 C ATOM 599 CG HIS A 367 73.389 4.803 3.734 1.00 0.00 C ATOM 600 ND1 HIS A 367 74.010 5.881 4.312 1.00 0.00 N ATOM 601 CD2 HIS A 367 72.357 4.411 4.517 1.00 0.00 C ATOM 602 CE1 HIS A 367 73.347 6.121 5.429 1.00 0.00 C ATOM 603 NE2 HIS A 367 72.336 5.254 5.598 1.00 0.00 N ATOM 0 H HIS A 367 76.298 3.919 2.155 1.00 0.00 H new ATOM 0 HA HIS A 367 74.464 2.518 3.593 1.00 0.00 H new ATOM 0 HB2 HIS A 367 74.573 4.934 1.986 1.00 0.00 H new ATOM 0 HB3 HIS A 367 73.018 4.161 1.753 1.00 0.00 H new ATOM 0 HD1 HIS A 367 74.817 6.392 3.953 1.00 0.00 H new ATOM 0 HD2 HIS A 367 71.680 3.591 4.327 1.00 0.00 H new ATOM 0 HE1 HIS A 367 73.588 6.915 6.120 1.00 0.00 H new ATOM 611 N ASN A 368 73.763 2.187 0.376 1.00 0.00 N ATOM 612 CA ASN A 368 73.111 1.351 -0.624 1.00 0.00 C ATOM 613 C ASN A 368 73.182 2.036 -1.980 1.00 0.00 C ATOM 614 O ASN A 368 73.667 1.468 -2.959 1.00 0.00 O ATOM 615 CB ASN A 368 71.651 1.092 -0.242 1.00 0.00 C ATOM 616 CG ASN A 368 71.201 -0.314 -0.589 1.00 0.00 C ATOM 617 OD1 ASN A 368 70.486 -0.956 0.179 1.00 0.00 O ATOM 618 ND2 ASN A 368 71.620 -0.800 -1.752 1.00 0.00 N ATOM 0 H ASN A 368 74.182 3.035 -0.004 1.00 0.00 H new ATOM 0 HA ASN A 368 73.626 0.392 -0.673 1.00 0.00 H new ATOM 0 HB2 ASN A 368 71.524 1.257 0.828 1.00 0.00 H new ATOM 0 HB3 ASN A 368 71.012 1.811 -0.754 1.00 0.00 H new ATOM 0 HD21 ASN A 368 71.350 -1.741 -2.039 1.00 0.00 H new ATOM 0 HD22 ASN A 368 72.212 -0.232 -2.358 1.00 0.00 H new ATOM 625 N LYS A 369 72.708 3.276 -2.015 1.00 0.00 N ATOM 626 CA LYS A 369 72.722 4.082 -3.230 1.00 0.00 C ATOM 627 C LYS A 369 73.472 5.384 -2.975 1.00 0.00 C ATOM 628 O LYS A 369 73.318 6.364 -3.704 1.00 0.00 O ATOM 629 CB LYS A 369 71.294 4.375 -3.694 1.00 0.00 C ATOM 630 CG LYS A 369 70.278 3.361 -3.195 1.00 0.00 C ATOM 631 CD LYS A 369 70.691 1.940 -3.554 1.00 0.00 C ATOM 632 CE LYS A 369 69.768 1.336 -4.601 1.00 0.00 C ATOM 633 NZ LYS A 369 68.435 0.991 -4.034 1.00 0.00 N ATOM 0 H LYS A 369 72.305 3.749 -1.206 1.00 0.00 H new ATOM 0 HA LYS A 369 73.231 3.526 -4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 369 71.005 5.368 -3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 369 71.271 4.396 -4.784 1.00 0.00 H new ATOM 0 HG2 LYS A 369 70.174 3.449 -2.114 1.00 0.00 H new ATOM 0 HG3 LYS A 369 69.302 3.578 -3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 369 71.715 1.942 -3.928 1.00 0.00 H new ATOM 0 HD3 LYS A 369 70.680 1.320 -2.658 1.00 0.00 H new ATOM 0 HE2 LYS A 369 69.641 2.040 -5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 369 70.228 0.440 -5.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 67.836 0.582 -4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 68.553 0.299 -3.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 67.984 1.850 -3.660 1.00 0.00 H new ATOM 647 N CYS A 370 74.285 5.374 -1.923 1.00 0.00 N ATOM 648 CA CYS A 370 75.077 6.538 -1.535 1.00 0.00 C ATOM 649 C CYS A 370 76.345 6.664 -2.385 1.00 0.00 C ATOM 650 O CYS A 370 77.214 7.485 -2.091 1.00 0.00 O ATOM 651 CB CYS A 370 75.456 6.444 -0.053 1.00 0.00 C ATOM 652 SG CYS A 370 74.405 7.438 1.059 1.00 0.00 S ATOM 0 H CYS A 370 74.414 4.563 -1.318 1.00 0.00 H new ATOM 0 HA CYS A 370 74.467 7.426 -1.702 1.00 0.00 H new ATOM 0 HB2 CYS A 370 75.406 5.400 0.257 1.00 0.00 H new ATOM 0 HB3 CYS A 370 76.492 6.762 0.065 1.00 0.00 H new ATOM 0 HG CYS A 370 74.295 6.835 2.206 1.00 0.00 H new ATOM 657 N THR A 371 76.449 5.852 -3.436 1.00 0.00 N ATOM 658 CA THR A 371 77.614 5.882 -4.315 1.00 0.00 C ATOM 659 C THR A 371 77.834 7.280 -4.884 1.00 0.00 C ATOM 660 O THR A 371 78.967 7.679 -5.155 1.00 0.00 O ATOM 661 CB THR A 371 77.444 4.877 -5.455 1.00 0.00 C ATOM 662 OG1 THR A 371 76.383 5.262 -6.310 1.00 0.00 O ATOM 663 CG2 THR A 371 77.160 3.470 -4.975 1.00 0.00 C ATOM 0 H THR A 371 75.741 5.166 -3.698 1.00 0.00 H new ATOM 0 HA THR A 371 78.489 5.609 -3.725 1.00 0.00 H new ATOM 0 HB THR A 371 78.397 4.878 -5.984 1.00 0.00 H new ATOM 0 HG1 THR A 371 76.292 4.607 -7.033 1.00 0.00 H new ATOM 0 HG21 THR A 371 77.050 2.808 -5.834 1.00 0.00 H new ATOM 0 HG22 THR A 371 77.986 3.124 -4.353 1.00 0.00 H new ATOM 0 HG23 THR A 371 76.239 3.463 -4.392 1.00 0.00 H new ATOM 671 N LYS A 372 76.745 8.020 -5.064 1.00 0.00 N ATOM 672 CA LYS A 372 76.823 9.373 -5.603 1.00 0.00 C ATOM 673 C LYS A 372 77.621 10.282 -4.673 1.00 0.00 C ATOM 674 O LYS A 372 78.262 11.233 -5.119 1.00 0.00 O ATOM 675 CB LYS A 372 75.419 9.943 -5.810 1.00 0.00 C ATOM 676 CG LYS A 372 75.358 11.046 -6.855 1.00 0.00 C ATOM 677 CD LYS A 372 74.795 10.536 -8.172 1.00 0.00 C ATOM 678 CE LYS A 372 75.833 9.749 -8.955 1.00 0.00 C ATOM 679 NZ LYS A 372 76.840 10.640 -9.595 1.00 0.00 N ATOM 0 H LYS A 372 75.799 7.706 -4.845 1.00 0.00 H new ATOM 0 HA LYS A 372 77.334 9.327 -6.565 1.00 0.00 H new ATOM 0 HB2 LYS A 372 74.748 9.136 -6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 372 75.050 10.332 -4.861 1.00 0.00 H new ATOM 0 HG2 LYS A 372 74.739 11.864 -6.486 1.00 0.00 H new ATOM 0 HG3 LYS A 372 76.357 11.450 -7.018 1.00 0.00 H new ATOM 0 HD2 LYS A 372 73.928 9.904 -7.978 1.00 0.00 H new ATOM 0 HD3 LYS A 372 74.448 11.378 -8.771 1.00 0.00 H new ATOM 0 HE2 LYS A 372 76.338 9.051 -8.288 1.00 0.00 H new ATOM 0 HE3 LYS A 372 75.336 9.154 -9.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 77.436 10.083 -10.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 76.353 11.386 -10.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 77.436 11.074 -8.861 1.00 0.00 H new ATOM 693 N GLU A 373 77.581 9.979 -3.379 1.00 0.00 N ATOM 694 CA GLU A 373 78.305 10.767 -2.387 1.00 0.00 C ATOM 695 C GLU A 373 79.511 9.998 -1.852 1.00 0.00 C ATOM 696 O GLU A 373 80.016 10.294 -0.769 1.00 0.00 O ATOM 697 CB GLU A 373 77.377 11.148 -1.233 1.00 0.00 C ATOM 698 CG GLU A 373 76.593 12.427 -1.480 1.00 0.00 C ATOM 699 CD GLU A 373 77.492 13.626 -1.710 1.00 0.00 C ATOM 700 OE1 GLU A 373 78.037 14.158 -0.720 1.00 0.00 O ATOM 701 OE2 GLU A 373 77.650 14.033 -2.880 1.00 0.00 O ATOM 0 H GLU A 373 77.056 9.194 -2.993 1.00 0.00 H new ATOM 0 HA GLU A 373 78.663 11.675 -2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 373 76.677 10.331 -1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 373 77.969 11.264 -0.325 1.00 0.00 H new ATOM 0 HG2 GLU A 373 75.946 12.291 -2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 373 75.945 12.622 -0.626 1.00 0.00 H new ATOM 708 N ALA A 374 79.970 9.012 -2.618 1.00 0.00 N ATOM 709 CA ALA A 374 81.116 8.203 -2.221 1.00 0.00 C ATOM 710 C ALA A 374 82.054 7.970 -3.402 1.00 0.00 C ATOM 711 O ALA A 374 81.699 8.243 -4.548 1.00 0.00 O ATOM 712 CB ALA A 374 80.646 6.875 -1.644 1.00 0.00 C ATOM 0 H ALA A 374 79.565 8.755 -3.518 1.00 0.00 H new ATOM 0 HA ALA A 374 81.669 8.744 -1.453 1.00 0.00 H new ATOM 0 HB1 ALA A 374 81.510 6.279 -1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 374 80.019 7.059 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 374 80.071 6.335 -2.396 1.00 0.00 H new ATOM 718 N PRO A 375 83.269 7.458 -3.139 1.00 0.00 N ATOM 719 CA PRO A 375 84.253 7.189 -4.193 1.00 0.00 C ATOM 720 C PRO A 375 83.805 6.071 -5.126 1.00 0.00 C ATOM 721 O PRO A 375 83.159 5.114 -4.699 1.00 0.00 O ATOM 722 CB PRO A 375 85.507 6.773 -3.419 1.00 0.00 C ATOM 723 CG PRO A 375 85.002 6.282 -2.107 1.00 0.00 C ATOM 724 CD PRO A 375 83.778 7.099 -1.802 1.00 0.00 C ATOM 0 HA PRO A 375 84.407 8.055 -4.837 1.00 0.00 H new ATOM 0 HB2 PRO A 375 86.057 5.994 -3.947 1.00 0.00 H new ATOM 0 HB3 PRO A 375 86.189 7.614 -3.290 1.00 0.00 H new ATOM 0 HG2 PRO A 375 84.760 5.220 -2.155 1.00 0.00 H new ATOM 0 HG3 PRO A 375 85.756 6.403 -1.329 1.00 0.00 H new ATOM 0 HD2 PRO A 375 83.045 6.528 -1.232 1.00 0.00 H new ATOM 0 HD3 PRO A 375 84.021 7.983 -1.213 1.00 0.00 H new ATOM 732 N ALA A 376 84.151 6.197 -6.404 1.00 0.00 N ATOM 733 CA ALA A 376 83.783 5.197 -7.399 1.00 0.00 C ATOM 734 C ALA A 376 84.265 3.809 -6.991 1.00 0.00 C ATOM 735 O ALA A 376 85.454 3.599 -6.751 1.00 0.00 O ATOM 736 CB ALA A 376 84.350 5.574 -8.760 1.00 0.00 C ATOM 0 H ALA A 376 84.686 6.983 -6.774 1.00 0.00 H new ATOM 0 HA ALA A 376 82.695 5.170 -7.463 1.00 0.00 H new ATOM 0 HB1 ALA A 376 84.068 4.819 -9.494 1.00 0.00 H new ATOM 0 HB2 ALA A 376 83.952 6.542 -9.064 1.00 0.00 H new ATOM 0 HB3 ALA A 376 85.437 5.631 -8.698 1.00 0.00 H new ATOM 742 N CYS A 377 83.333 2.863 -6.914 1.00 0.00 N ATOM 743 CA CYS A 377 83.662 1.494 -6.535 1.00 0.00 C ATOM 744 C CYS A 377 84.708 0.905 -7.477 1.00 0.00 C ATOM 745 O CYS A 377 84.520 0.885 -8.694 1.00 0.00 O ATOM 746 CB CYS A 377 82.404 0.623 -6.541 1.00 0.00 C ATOM 747 SG CYS A 377 82.354 -0.621 -5.210 1.00 0.00 S ATOM 0 H CYS A 377 82.344 3.020 -7.109 1.00 0.00 H new ATOM 0 HA CYS A 377 84.076 1.513 -5.527 1.00 0.00 H new ATOM 0 HB2 CYS A 377 81.529 1.267 -6.455 1.00 0.00 H new ATOM 0 HB3 CYS A 377 82.332 0.114 -7.502 1.00 0.00 H new ATOM 0 HG CYS A 377 82.012 -1.773 -5.705 1.00 0.00 H new