USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 581 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 396 HIS : no HD1:sc=-0.000981 K(o=-0.62,f=-6!) USER MOD Set 1.2: A 403 LYS NZ :NH3+ -117:sc= -0.681 (180deg=-3.64!) USER MOD Set 1.3: A 405 THR OG1 : rot 108:sc= 0.0625 USER MOD Set 2.1: A 362 THR OG1 : rot -95:sc= 0.0174 USER MOD Set 2.2: A 364 LYS NZ :NH3+ -137:sc= 0.176 (180deg=-0.179) USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 357 MET CE :methyl -162:sc= -0.119 (180deg=-0.656) USER MOD Single : A 363 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 365 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.028) USER MOD Single : A 366 LYS NZ :NH3+ -169:sc= -0.0462 (180deg=-0.239) USER MOD Single : A 370 SER OG : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 372 GLN :FLIP amide:sc= 0.148 F(o=-5.8!,f=0.15) USER MOD Single : A 373 GLN : amide:sc= -0.731 K(o=-0.73,f=-5.2!) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 SER OG : rot -130:sc= -0.0851 USER MOD Single : A 382 ASN :FLIP amide:sc= -0.927 F(o=-4.1!,f=-0.93) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 GLN : amide:sc=0.000718 X(o=0.00072,f=0) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 390 LYS NZ :NH3+ 152:sc= -0.0514 (180deg=-1.12) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -167:sc= -0.0452 (180deg=-0.25) USER MOD Single : A 397 ASN :FLIP amide:sc= 0.496 F(o=-1.3,f=0.5) USER MOD Single : A 401 ASN :FLIP amide:sc= 0.32 F(o=-0.35,f=0.32) USER MOD Single : A 402 LYS NZ :NH3+ 166:sc= -0.0507 (180deg=-0.318) USER MOD Single : A 408 LYS NZ :NH3+ -165:sc= -0.0318 (180deg=-0.321) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 LYS NZ :NH3+ -169:sc= -0.0258 (180deg=-0.173) USER MOD Single : A 418 THR OG1 : rot -79:sc= 0.659 USER MOD Single : A 420 LYS NZ :NH3+ 174:sc= 0.302 (180deg=0.194) USER MOD Single : A 423 LYS NZ :NH3+ -132:sc= -0.0258 (180deg=-0.266) USER MOD Single : A 424 THR OG1 : rot 180:sc= 0 USER MOD Single : A 426 ASN :FLIP amide:sc= -0.878 F(o=-4!,f=-0.88) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 429 THR OG1 : rot 53:sc= -0.117 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 SER OG : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot -41:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 13.404 -5.717 6.827 1.00 0.00 N ATOM 2 CA GLY A 354 14.206 -4.958 5.829 1.00 0.00 C ATOM 3 C GLY A 354 15.486 -4.397 6.419 1.00 0.00 C ATOM 4 O GLY A 354 15.812 -3.229 6.212 1.00 0.00 O ATOM 0 HA2 GLY A 354 14.451 -5.612 4.992 1.00 0.00 H new ATOM 0 HA3 GLY A 354 13.605 -4.141 5.430 1.00 0.00 H new ATOM 10 N SER A 355 16.211 -5.233 7.158 1.00 0.00 N ATOM 11 CA SER A 355 17.461 -4.815 7.783 1.00 0.00 C ATOM 12 C SER A 355 18.475 -4.369 6.733 1.00 0.00 C ATOM 13 O SER A 355 19.080 -3.304 6.854 1.00 0.00 O ATOM 14 CB SER A 355 18.041 -5.957 8.620 1.00 0.00 C ATOM 15 OG SER A 355 19.249 -5.566 9.249 1.00 0.00 O ATOM 0 H SER A 355 15.954 -6.203 7.338 1.00 0.00 H new ATOM 0 HA SER A 355 17.248 -3.968 8.434 1.00 0.00 H new ATOM 0 HB2 SER A 355 17.317 -6.263 9.375 1.00 0.00 H new ATOM 0 HB3 SER A 355 18.223 -6.823 7.983 1.00 0.00 H new ATOM 0 HG SER A 355 19.598 -6.313 9.779 1.00 0.00 H new ATOM 21 N HIS A 356 18.653 -5.189 5.701 1.00 0.00 N ATOM 22 CA HIS A 356 19.592 -4.877 4.627 1.00 0.00 C ATOM 23 C HIS A 356 19.103 -3.686 3.808 1.00 0.00 C ATOM 24 O HIS A 356 17.925 -3.603 3.459 1.00 0.00 O ATOM 25 CB HIS A 356 19.785 -6.097 3.722 1.00 0.00 C ATOM 26 CG HIS A 356 20.759 -5.870 2.606 1.00 0.00 C ATOM 27 ND1 HIS A 356 22.070 -5.494 2.815 1.00 0.00 N ATOM 28 CD2 HIS A 356 20.609 -5.971 1.264 1.00 0.00 C ATOM 29 CE1 HIS A 356 22.682 -5.373 1.651 1.00 0.00 C ATOM 30 NE2 HIS A 356 21.818 -5.657 0.694 1.00 0.00 N ATOM 0 H HIS A 356 18.160 -6.074 5.585 1.00 0.00 H new ATOM 0 HA HIS A 356 20.550 -4.614 5.076 1.00 0.00 H new ATOM 0 HB2 HIS A 356 20.128 -6.937 4.327 1.00 0.00 H new ATOM 0 HB3 HIS A 356 18.821 -6.381 3.299 1.00 0.00 H new ATOM 0 HD2 HIS A 356 19.706 -6.247 0.740 1.00 0.00 H new ATOM 0 HE1 HIS A 356 23.714 -5.090 1.506 1.00 0.00 H new ATOM 0 HE2 HIS A 356 22.016 -5.645 -0.306 1.00 0.00 H new ATOM 39 N MET A 357 20.014 -2.764 3.507 1.00 0.00 N ATOM 40 CA MET A 357 19.674 -1.576 2.729 1.00 0.00 C ATOM 41 C MET A 357 19.103 -1.959 1.369 1.00 0.00 C ATOM 42 O MET A 357 19.620 -2.850 0.696 1.00 0.00 O ATOM 43 CB MET A 357 20.905 -0.685 2.544 1.00 0.00 C ATOM 44 CG MET A 357 21.504 -0.193 3.851 1.00 0.00 C ATOM 45 SD MET A 357 22.918 0.899 3.602 1.00 0.00 S ATOM 46 CE MET A 357 24.021 -0.170 2.679 1.00 0.00 C ATOM 0 H MET A 357 20.993 -2.817 3.790 1.00 0.00 H new ATOM 0 HA MET A 357 18.914 -1.022 3.280 1.00 0.00 H new ATOM 0 HB2 MET A 357 21.664 -1.239 1.992 1.00 0.00 H new ATOM 0 HB3 MET A 357 20.632 0.175 1.933 1.00 0.00 H new ATOM 0 HG2 MET A 357 20.739 0.334 4.421 1.00 0.00 H new ATOM 0 HG3 MET A 357 21.813 -1.050 4.450 1.00 0.00 H new ATOM 0 HE1 MET A 357 25.035 0.227 2.725 1.00 0.00 H new ATOM 0 HE2 MET A 357 24.003 -1.171 3.110 1.00 0.00 H new ATOM 0 HE3 MET A 357 23.696 -0.217 1.639 1.00 0.00 H new ATOM 56 N LEU A 358 18.034 -1.277 0.971 1.00 0.00 N ATOM 57 CA LEU A 358 17.390 -1.542 -0.310 1.00 0.00 C ATOM 58 C LEU A 358 18.316 -1.181 -1.466 1.00 0.00 C ATOM 59 O LEU A 358 18.909 -0.102 -1.485 1.00 0.00 O ATOM 60 CB LEU A 358 16.076 -0.760 -0.431 1.00 0.00 C ATOM 61 CG LEU A 358 14.963 -1.175 0.537 1.00 0.00 C ATOM 62 CD1 LEU A 358 15.329 -0.826 1.972 1.00 0.00 C ATOM 63 CD2 LEU A 358 13.649 -0.516 0.148 1.00 0.00 C ATOM 0 H LEU A 358 17.595 -0.536 1.518 1.00 0.00 H new ATOM 0 HA LEU A 358 17.169 -2.608 -0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 358 16.289 0.298 -0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 358 15.704 -0.866 -1.450 1.00 0.00 H new ATOM 0 HG LEU A 358 14.844 -2.257 0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 358 14.522 -1.131 2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 358 16.246 -1.346 2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 358 15.482 0.250 2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 358 12.869 -0.821 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 358 13.762 0.568 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 358 13.373 -0.822 -0.861 1.00 0.00 H new ATOM 75 N GLU A 359 18.433 -2.090 -2.428 1.00 0.00 N ATOM 76 CA GLU A 359 19.285 -1.867 -3.590 1.00 0.00 C ATOM 77 C GLU A 359 18.725 -0.755 -4.472 1.00 0.00 C ATOM 78 O GLU A 359 17.542 -0.756 -4.813 1.00 0.00 O ATOM 79 CB GLU A 359 19.425 -3.158 -4.398 1.00 0.00 C ATOM 80 CG GLU A 359 20.093 -4.291 -3.633 1.00 0.00 C ATOM 81 CD GLU A 359 21.535 -3.988 -3.266 1.00 0.00 C ATOM 82 OE1 GLU A 359 22.038 -2.914 -3.657 1.00 0.00 O ATOM 83 OE2 GLU A 359 22.162 -4.831 -2.593 1.00 0.00 O ATOM 0 H GLU A 359 17.949 -2.988 -2.426 1.00 0.00 H new ATOM 0 HA GLU A 359 20.269 -1.560 -3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 359 18.436 -3.483 -4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 359 20.002 -2.951 -5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 359 19.527 -4.492 -2.724 1.00 0.00 H new ATOM 0 HG3 GLU A 359 20.060 -5.198 -4.236 1.00 0.00 H new ATOM 90 N VAL A 360 19.582 0.195 -4.832 1.00 0.00 N ATOM 91 CA VAL A 360 19.174 1.317 -5.670 1.00 0.00 C ATOM 92 C VAL A 360 19.229 0.963 -7.155 1.00 0.00 C ATOM 93 O VAL A 360 20.194 0.356 -7.624 1.00 0.00 O ATOM 94 CB VAL A 360 20.054 2.556 -5.411 1.00 0.00 C ATOM 95 CG1 VAL A 360 21.515 2.248 -5.703 1.00 0.00 C ATOM 96 CG2 VAL A 360 19.574 3.738 -6.241 1.00 0.00 C ATOM 0 H VAL A 360 20.564 0.210 -4.556 1.00 0.00 H new ATOM 0 HA VAL A 360 18.142 1.547 -5.403 1.00 0.00 H new ATOM 0 HB VAL A 360 19.968 2.823 -4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 360 22.119 3.136 -5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 360 21.852 1.436 -5.058 1.00 0.00 H new ATOM 0 HG13 VAL A 360 21.623 1.951 -6.746 1.00 0.00 H new ATOM 0 HG21 VAL A 360 20.208 4.602 -6.044 1.00 0.00 H new ATOM 0 HG22 VAL A 360 19.626 3.484 -7.300 1.00 0.00 H new ATOM 0 HG23 VAL A 360 18.544 3.975 -5.975 1.00 0.00 H new ATOM 106 N LEU A 361 18.191 1.360 -7.890 1.00 0.00 N ATOM 107 CA LEU A 361 18.114 1.103 -9.325 1.00 0.00 C ATOM 108 C LEU A 361 18.308 -0.379 -9.637 1.00 0.00 C ATOM 109 O LEU A 361 19.273 -0.767 -10.297 1.00 0.00 O ATOM 110 CB LEU A 361 19.153 1.946 -10.075 1.00 0.00 C ATOM 111 CG LEU A 361 19.091 1.854 -11.603 1.00 0.00 C ATOM 112 CD1 LEU A 361 17.742 2.334 -12.116 1.00 0.00 C ATOM 113 CD2 LEU A 361 20.218 2.658 -12.231 1.00 0.00 C ATOM 0 H LEU A 361 17.389 1.863 -7.512 1.00 0.00 H new ATOM 0 HA LEU A 361 17.117 1.388 -9.662 1.00 0.00 H new ATOM 0 HB2 LEU A 361 19.028 2.989 -9.785 1.00 0.00 H new ATOM 0 HB3 LEU A 361 20.148 1.641 -9.749 1.00 0.00 H new ATOM 0 HG LEU A 361 19.212 0.809 -11.888 1.00 0.00 H new ATOM 0 HD11 LEU A 361 17.719 2.260 -13.203 1.00 0.00 H new ATOM 0 HD12 LEU A 361 16.951 1.715 -11.694 1.00 0.00 H new ATOM 0 HD13 LEU A 361 17.588 3.371 -11.819 1.00 0.00 H new ATOM 0 HD21 LEU A 361 20.159 2.581 -13.317 1.00 0.00 H new ATOM 0 HD22 LEU A 361 20.128 3.703 -11.936 1.00 0.00 H new ATOM 0 HD23 LEU A 361 21.177 2.267 -11.892 1.00 0.00 H new ATOM 125 N THR A 362 17.384 -1.205 -9.160 1.00 0.00 N ATOM 126 CA THR A 362 17.453 -2.643 -9.392 1.00 0.00 C ATOM 127 C THR A 362 16.117 -3.184 -9.882 1.00 0.00 C ATOM 128 O THR A 362 15.061 -2.853 -9.339 1.00 0.00 O ATOM 129 CB THR A 362 17.872 -3.401 -8.123 1.00 0.00 C ATOM 130 OG1 THR A 362 17.001 -3.061 -7.037 1.00 0.00 O ATOM 131 CG2 THR A 362 19.311 -3.075 -7.751 1.00 0.00 C ATOM 0 H THR A 362 16.579 -0.904 -8.611 1.00 0.00 H new ATOM 0 HA THR A 362 18.209 -2.802 -10.161 1.00 0.00 H new ATOM 0 HB THR A 362 17.798 -4.470 -8.323 1.00 0.00 H new ATOM 0 HG1 THR A 362 17.399 -2.334 -6.514 1.00 0.00 H new ATOM 0 HG21 THR A 362 19.587 -3.622 -6.850 1.00 0.00 H new ATOM 0 HG22 THR A 362 19.972 -3.364 -8.568 1.00 0.00 H new ATOM 0 HG23 THR A 362 19.406 -2.005 -7.569 1.00 0.00 H new ATOM 139 N GLN A 363 16.171 -4.012 -10.920 1.00 0.00 N ATOM 140 CA GLN A 363 14.969 -4.598 -11.499 1.00 0.00 C ATOM 141 C GLN A 363 14.249 -5.499 -10.500 1.00 0.00 C ATOM 142 O GLN A 363 14.859 -6.367 -9.876 1.00 0.00 O ATOM 143 CB GLN A 363 15.323 -5.393 -12.758 1.00 0.00 C ATOM 144 CG GLN A 363 14.124 -6.052 -13.424 1.00 0.00 C ATOM 145 CD GLN A 363 14.504 -6.838 -14.663 1.00 0.00 C ATOM 146 OE1 GLN A 363 15.040 -6.286 -15.623 1.00 0.00 O ATOM 147 NE2 GLN A 363 14.228 -8.137 -14.646 1.00 0.00 N ATOM 0 H GLN A 363 17.038 -4.293 -11.378 1.00 0.00 H new ATOM 0 HA GLN A 363 14.296 -3.783 -11.763 1.00 0.00 H new ATOM 0 HB2 GLN A 363 15.804 -4.727 -13.474 1.00 0.00 H new ATOM 0 HB3 GLN A 363 16.051 -6.162 -12.499 1.00 0.00 H new ATOM 0 HG2 GLN A 363 13.638 -6.718 -12.711 1.00 0.00 H new ATOM 0 HG3 GLN A 363 13.396 -5.286 -13.693 1.00 0.00 H new ATOM 0 HE21 GLN A 363 13.783 -8.553 -13.828 1.00 0.00 H new ATOM 0 HE22 GLN A 363 14.461 -8.719 -15.451 1.00 0.00 H new ATOM 156 N LYS A 364 12.942 -5.287 -10.370 1.00 0.00 N ATOM 157 CA LYS A 364 12.108 -6.073 -9.465 1.00 0.00 C ATOM 158 C LYS A 364 10.674 -6.122 -9.984 1.00 0.00 C ATOM 159 O LYS A 364 9.817 -5.368 -9.529 1.00 0.00 O ATOM 160 CB LYS A 364 12.124 -5.470 -8.054 1.00 0.00 C ATOM 161 CG LYS A 364 13.468 -5.564 -7.349 1.00 0.00 C ATOM 162 CD LYS A 364 13.869 -7.009 -7.098 1.00 0.00 C ATOM 163 CE LYS A 364 15.181 -7.100 -6.336 1.00 0.00 C ATOM 164 NZ LYS A 364 16.297 -6.439 -7.068 1.00 0.00 N ATOM 0 H LYS A 364 12.433 -4.569 -10.886 1.00 0.00 H new ATOM 0 HA LYS A 364 12.511 -7.085 -9.420 1.00 0.00 H new ATOM 0 HB2 LYS A 364 11.832 -4.422 -8.116 1.00 0.00 H new ATOM 0 HB3 LYS A 364 11.372 -5.975 -7.447 1.00 0.00 H new ATOM 0 HG2 LYS A 364 14.231 -5.074 -7.953 1.00 0.00 H new ATOM 0 HG3 LYS A 364 13.420 -5.029 -6.400 1.00 0.00 H new ATOM 0 HD2 LYS A 364 13.084 -7.513 -6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 364 13.963 -7.532 -8.050 1.00 0.00 H new ATOM 0 HE2 LYS A 364 15.065 -6.636 -5.357 1.00 0.00 H new ATOM 0 HE3 LYS A 364 15.429 -8.147 -6.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 17.147 -7.036 -7.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 16.027 -6.304 -8.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 16.497 -5.515 -6.635 1.00 0.00 H new ATOM 178 N HIS A 365 10.432 -7.013 -10.946 1.00 0.00 N ATOM 179 CA HIS A 365 9.110 -7.170 -11.551 1.00 0.00 C ATOM 180 C HIS A 365 8.667 -5.871 -12.225 1.00 0.00 C ATOM 181 O HIS A 365 8.765 -5.729 -13.445 1.00 0.00 O ATOM 182 CB HIS A 365 8.083 -7.596 -10.497 1.00 0.00 C ATOM 183 CG HIS A 365 6.734 -7.940 -11.059 1.00 0.00 C ATOM 184 ND1 HIS A 365 5.668 -8.318 -10.270 1.00 0.00 N ATOM 185 CD2 HIS A 365 6.281 -7.969 -12.337 1.00 0.00 C ATOM 186 CE1 HIS A 365 4.620 -8.564 -11.036 1.00 0.00 C ATOM 187 NE2 HIS A 365 4.965 -8.359 -12.293 1.00 0.00 N ATOM 0 H HIS A 365 11.141 -7.641 -11.325 1.00 0.00 H new ATOM 0 HA HIS A 365 9.174 -7.950 -12.310 1.00 0.00 H new ATOM 0 HB2 HIS A 365 8.470 -8.460 -9.956 1.00 0.00 H new ATOM 0 HB3 HIS A 365 7.968 -6.791 -9.771 1.00 0.00 H new ATOM 0 HD2 HIS A 365 6.849 -7.730 -13.224 1.00 0.00 H new ATOM 0 HE1 HIS A 365 3.646 -8.879 -10.692 1.00 0.00 H new ATOM 0 HE2 HIS A 365 4.353 -8.472 -13.101 1.00 0.00 H new ATOM 196 N LYS A 366 8.189 -4.925 -11.424 1.00 0.00 N ATOM 197 CA LYS A 366 7.741 -3.636 -11.937 1.00 0.00 C ATOM 198 C LYS A 366 8.922 -2.837 -12.489 1.00 0.00 C ATOM 199 O LYS A 366 10.024 -2.895 -11.942 1.00 0.00 O ATOM 200 CB LYS A 366 7.043 -2.842 -10.831 1.00 0.00 C ATOM 201 CG LYS A 366 5.895 -3.594 -10.179 1.00 0.00 C ATOM 202 CD LYS A 366 5.239 -2.774 -9.081 1.00 0.00 C ATOM 203 CE LYS A 366 4.148 -3.561 -8.373 1.00 0.00 C ATOM 204 NZ LYS A 366 3.098 -4.030 -9.319 1.00 0.00 N ATOM 0 H LYS A 366 8.102 -5.028 -10.413 1.00 0.00 H new ATOM 0 HA LYS A 366 7.034 -3.815 -12.747 1.00 0.00 H new ATOM 0 HB2 LYS A 366 7.774 -2.578 -10.067 1.00 0.00 H new ATOM 0 HB3 LYS A 366 6.665 -1.908 -11.248 1.00 0.00 H new ATOM 0 HG2 LYS A 366 5.152 -3.851 -10.934 1.00 0.00 H new ATOM 0 HG3 LYS A 366 6.264 -4.531 -9.762 1.00 0.00 H new ATOM 0 HD2 LYS A 366 5.993 -2.464 -8.358 1.00 0.00 H new ATOM 0 HD3 LYS A 366 4.815 -1.866 -9.508 1.00 0.00 H new ATOM 0 HE2 LYS A 366 4.590 -4.419 -7.867 1.00 0.00 H new ATOM 0 HE3 LYS A 366 3.692 -2.938 -7.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 2.286 -4.396 -8.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 2.789 -3.236 -9.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 3.485 -4.785 -9.920 1.00 0.00 H new ATOM 218 N PRO A 367 8.711 -2.078 -13.581 1.00 0.00 N ATOM 219 CA PRO A 367 9.768 -1.269 -14.197 1.00 0.00 C ATOM 220 C PRO A 367 10.449 -0.355 -13.185 1.00 0.00 C ATOM 221 O PRO A 367 9.791 0.248 -12.337 1.00 0.00 O ATOM 222 CB PRO A 367 9.034 -0.440 -15.262 1.00 0.00 C ATOM 223 CG PRO A 367 7.579 -0.617 -14.987 1.00 0.00 C ATOM 224 CD PRO A 367 7.436 -1.944 -14.299 1.00 0.00 C ATOM 0 HA PRO A 367 10.563 -1.890 -14.610 1.00 0.00 H new ATOM 0 HB2 PRO A 367 9.318 0.611 -15.203 1.00 0.00 H new ATOM 0 HB3 PRO A 367 9.286 -0.782 -16.266 1.00 0.00 H new ATOM 0 HG2 PRO A 367 7.202 0.189 -14.358 1.00 0.00 H new ATOM 0 HG3 PRO A 367 7.003 -0.595 -15.912 1.00 0.00 H new ATOM 0 HD2 PRO A 367 6.585 -1.957 -13.618 1.00 0.00 H new ATOM 0 HD3 PRO A 367 7.286 -2.755 -15.012 1.00 0.00 H new ATOM 232 N ALA A 368 11.773 -0.265 -13.273 1.00 0.00 N ATOM 233 CA ALA A 368 12.548 0.566 -12.358 1.00 0.00 C ATOM 234 C ALA A 368 12.085 2.019 -12.395 1.00 0.00 C ATOM 235 O ALA A 368 12.126 2.667 -13.441 1.00 0.00 O ATOM 236 CB ALA A 368 14.029 0.476 -12.694 1.00 0.00 C ATOM 0 H ALA A 368 12.332 -0.758 -13.970 1.00 0.00 H new ATOM 0 HA ALA A 368 12.387 0.191 -11.347 1.00 0.00 H new ATOM 0 HB1 ALA A 368 14.597 1.100 -12.004 1.00 0.00 H new ATOM 0 HB2 ALA A 368 14.360 -0.559 -12.604 1.00 0.00 H new ATOM 0 HB3 ALA A 368 14.192 0.822 -13.715 1.00 0.00 H new ATOM 242 N GLU A 369 11.659 2.521 -11.238 1.00 0.00 N ATOM 243 CA GLU A 369 11.193 3.900 -11.109 1.00 0.00 C ATOM 244 C GLU A 369 11.319 4.368 -9.661 1.00 0.00 C ATOM 245 O GLU A 369 10.455 5.080 -9.150 1.00 0.00 O ATOM 246 CB GLU A 369 9.730 4.028 -11.558 1.00 0.00 C ATOM 247 CG GLU A 369 9.504 3.782 -13.044 1.00 0.00 C ATOM 248 CD GLU A 369 10.183 4.816 -13.926 1.00 0.00 C ATOM 249 OE1 GLU A 369 10.788 5.763 -13.379 1.00 0.00 O ATOM 250 OE2 GLU A 369 10.103 4.681 -15.164 1.00 0.00 O ATOM 0 H GLU A 369 11.627 1.988 -10.369 1.00 0.00 H new ATOM 0 HA GLU A 369 11.815 4.525 -11.750 1.00 0.00 H new ATOM 0 HB2 GLU A 369 9.125 3.322 -10.989 1.00 0.00 H new ATOM 0 HB3 GLU A 369 9.372 5.027 -11.309 1.00 0.00 H new ATOM 0 HG2 GLU A 369 9.876 2.791 -13.303 1.00 0.00 H new ATOM 0 HG3 GLU A 369 8.433 3.785 -13.249 1.00 0.00 H new ATOM 257 N SER A 370 12.402 3.956 -9.006 1.00 0.00 N ATOM 258 CA SER A 370 12.648 4.321 -7.614 1.00 0.00 C ATOM 259 C SER A 370 11.459 3.906 -6.739 1.00 0.00 C ATOM 260 O SER A 370 10.833 2.877 -6.998 1.00 0.00 O ATOM 261 CB SER A 370 12.917 5.827 -7.508 1.00 0.00 C ATOM 262 OG SER A 370 13.923 6.226 -8.423 1.00 0.00 O ATOM 0 H SER A 370 13.125 3.367 -9.419 1.00 0.00 H new ATOM 0 HA SER A 370 13.530 3.791 -7.254 1.00 0.00 H new ATOM 0 HB2 SER A 370 11.999 6.380 -7.707 1.00 0.00 H new ATOM 0 HB3 SER A 370 13.224 6.075 -6.492 1.00 0.00 H new ATOM 0 HG SER A 370 14.077 7.190 -8.340 1.00 0.00 H new ATOM 268 N GLN A 371 11.143 4.696 -5.714 1.00 0.00 N ATOM 269 CA GLN A 371 10.024 4.381 -4.833 1.00 0.00 C ATOM 270 C GLN A 371 8.697 4.511 -5.576 1.00 0.00 C ATOM 271 O GLN A 371 8.428 5.530 -6.213 1.00 0.00 O ATOM 272 CB GLN A 371 10.038 5.294 -3.604 1.00 0.00 C ATOM 273 CG GLN A 371 10.011 6.777 -3.942 1.00 0.00 C ATOM 274 CD GLN A 371 10.013 7.656 -2.707 1.00 0.00 C ATOM 275 OE1 GLN A 371 10.931 7.595 -1.889 1.00 0.00 O ATOM 276 NE2 GLN A 371 8.981 8.481 -2.565 1.00 0.00 N ATOM 0 H GLN A 371 11.643 5.552 -5.476 1.00 0.00 H new ATOM 0 HA GLN A 371 10.131 3.348 -4.501 1.00 0.00 H new ATOM 0 HB2 GLN A 371 9.178 5.058 -2.977 1.00 0.00 H new ATOM 0 HB3 GLN A 371 10.930 5.081 -3.015 1.00 0.00 H new ATOM 0 HG2 GLN A 371 10.876 7.021 -4.559 1.00 0.00 H new ATOM 0 HG3 GLN A 371 9.124 6.994 -4.537 1.00 0.00 H new ATOM 0 HE21 GLN A 371 8.242 8.499 -3.268 1.00 0.00 H new ATOM 0 HE22 GLN A 371 8.928 9.097 -1.753 1.00 0.00 H new ATOM 285 N GLN A 372 7.874 3.471 -5.493 1.00 0.00 N ATOM 286 CA GLN A 372 6.577 3.467 -6.158 1.00 0.00 C ATOM 287 C GLN A 372 5.544 4.252 -5.355 1.00 0.00 C ATOM 288 O GLN A 372 5.370 4.023 -4.158 1.00 0.00 O ATOM 289 CB GLN A 372 6.085 2.031 -6.381 1.00 0.00 C ATOM 290 CG GLN A 372 6.937 1.230 -7.356 1.00 0.00 C ATOM 291 CD GLN A 372 8.253 0.752 -6.765 1.00 0.00 C ATOM 292 OE1 GLN A 372 8.391 0.843 -5.447 1.00 0.00 O flip ATOM 293 NE2 GLN A 372 9.130 0.281 -7.489 1.00 0.00 N flip ATOM 0 H GLN A 372 8.083 2.620 -4.971 1.00 0.00 H new ATOM 0 HA GLN A 372 6.702 3.951 -7.126 1.00 0.00 H new ATOM 0 HB2 GLN A 372 6.063 1.512 -5.423 1.00 0.00 H new ATOM 0 HB3 GLN A 372 5.060 2.062 -6.750 1.00 0.00 H new ATOM 0 HG2 GLN A 372 6.367 0.366 -7.698 1.00 0.00 H new ATOM 0 HG3 GLN A 372 7.144 1.843 -8.233 1.00 0.00 H new ATOM 0 HE21 GLN A 372 8.985 0.229 -8.497 1.00 0.00 H new ATOM 0 HE22 GLN A 372 10.001 -0.057 -7.081 1.00 0.00 H new ATOM 302 N GLN A 373 4.862 5.177 -6.025 1.00 0.00 N ATOM 303 CA GLN A 373 3.845 5.997 -5.381 1.00 0.00 C ATOM 304 C GLN A 373 2.557 5.208 -5.168 1.00 0.00 C ATOM 305 O GLN A 373 2.089 4.510 -6.068 1.00 0.00 O ATOM 306 CB GLN A 373 3.558 7.243 -6.224 1.00 0.00 C ATOM 307 CG GLN A 373 2.548 8.188 -5.591 1.00 0.00 C ATOM 308 CD GLN A 373 3.044 8.793 -4.290 1.00 0.00 C ATOM 309 OE1 GLN A 373 3.306 8.082 -3.320 1.00 0.00 O ATOM 310 NE2 GLN A 373 3.177 10.113 -4.265 1.00 0.00 N ATOM 0 H GLN A 373 4.997 5.376 -7.016 1.00 0.00 H new ATOM 0 HA GLN A 373 4.226 6.302 -4.406 1.00 0.00 H new ATOM 0 HB2 GLN A 373 4.491 7.781 -6.391 1.00 0.00 H new ATOM 0 HB3 GLN A 373 3.189 6.933 -7.202 1.00 0.00 H new ATOM 0 HG2 GLN A 373 2.316 8.988 -6.294 1.00 0.00 H new ATOM 0 HG3 GLN A 373 1.619 7.648 -5.405 1.00 0.00 H new ATOM 0 HE21 GLN A 373 2.948 10.664 -5.092 1.00 0.00 H new ATOM 0 HE22 GLN A 373 3.508 10.576 -3.419 1.00 0.00 H new ATOM 319 N ALA A 374 1.987 5.326 -3.973 1.00 0.00 N ATOM 320 CA ALA A 374 0.750 4.628 -3.645 1.00 0.00 C ATOM 321 C ALA A 374 -0.413 5.149 -4.484 1.00 0.00 C ATOM 322 O ALA A 374 -0.571 6.357 -4.656 1.00 0.00 O ATOM 323 CB ALA A 374 0.441 4.773 -2.162 1.00 0.00 C ATOM 0 H ALA A 374 2.362 5.898 -3.216 1.00 0.00 H new ATOM 0 HA ALA A 374 0.885 3.571 -3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 374 -0.485 4.247 -1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 374 1.256 4.347 -1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 374 0.330 5.829 -1.915 1.00 0.00 H new ATOM 329 N ALA A 375 -1.220 4.230 -5.008 1.00 0.00 N ATOM 330 CA ALA A 375 -2.367 4.598 -5.834 1.00 0.00 C ATOM 331 C ALA A 375 -3.559 5.014 -4.980 1.00 0.00 C ATOM 332 O ALA A 375 -4.644 4.443 -5.081 1.00 0.00 O ATOM 333 CB ALA A 375 -2.744 3.454 -6.763 1.00 0.00 C ATOM 0 H ALA A 375 -1.101 3.226 -4.876 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.079 5.457 -6.440 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -3.600 3.746 -7.371 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -1.901 3.220 -7.413 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -3.001 2.575 -6.172 1.00 0.00 H new ATOM 339 N GLU A 376 -3.333 6.011 -4.138 1.00 0.00 N ATOM 340 CA GLU A 376 -4.365 6.530 -3.244 1.00 0.00 C ATOM 341 C GLU A 376 -5.377 7.407 -3.968 1.00 0.00 C ATOM 342 O GLU A 376 -5.599 8.562 -3.607 1.00 0.00 O ATOM 343 CB GLU A 376 -3.739 7.305 -2.091 1.00 0.00 C ATOM 344 CG GLU A 376 -2.567 8.198 -2.487 1.00 0.00 C ATOM 345 CD GLU A 376 -2.966 9.341 -3.400 1.00 0.00 C ATOM 346 OE1 GLU A 376 -3.743 10.212 -2.956 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.501 9.365 -4.559 1.00 0.00 O ATOM 0 H GLU A 376 -2.433 6.484 -4.053 1.00 0.00 H new ATOM 0 HA GLU A 376 -4.901 5.666 -2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -4.508 7.922 -1.626 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.399 6.596 -1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.109 8.605 -1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -1.809 7.592 -2.984 1.00 0.00 H new ATOM 354 N THR A 377 -6.003 6.835 -4.971 1.00 0.00 N ATOM 355 CA THR A 377 -7.015 7.539 -5.744 1.00 0.00 C ATOM 356 C THR A 377 -8.290 6.715 -5.838 1.00 0.00 C ATOM 357 O THR A 377 -8.244 5.487 -5.920 1.00 0.00 O ATOM 358 CB THR A 377 -6.527 7.869 -7.164 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.186 6.664 -7.860 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.323 8.798 -7.123 1.00 0.00 C ATOM 0 H THR A 377 -5.831 5.877 -5.277 1.00 0.00 H new ATOM 0 HA THR A 377 -7.216 8.474 -5.220 1.00 0.00 H new ATOM 0 HB THR A 377 -7.336 8.374 -7.692 1.00 0.00 H new ATOM 0 HG1 THR A 377 -5.878 6.884 -8.764 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.997 9.016 -8.140 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.597 9.727 -6.623 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.511 8.318 -6.577 1.00 0.00 H new ATOM 368 N GLU A 378 -9.427 7.401 -5.823 1.00 0.00 N ATOM 369 CA GLU A 378 -10.722 6.739 -5.905 1.00 0.00 C ATOM 370 C GLU A 378 -10.771 5.816 -7.112 1.00 0.00 C ATOM 371 O GLU A 378 -11.310 4.712 -7.047 1.00 0.00 O ATOM 372 CB GLU A 378 -11.840 7.778 -5.994 1.00 0.00 C ATOM 373 CG GLU A 378 -13.236 7.175 -5.965 1.00 0.00 C ATOM 374 CD GLU A 378 -14.326 8.228 -6.036 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.363 8.979 -7.033 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.144 8.299 -5.094 1.00 0.00 O ATOM 0 H GLU A 378 -9.477 8.417 -5.755 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.864 6.142 -5.004 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.739 8.480 -5.166 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.720 8.351 -6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.347 6.485 -6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.357 6.592 -5.052 1.00 0.00 H new ATOM 383 N GLY A 379 -10.197 6.283 -8.213 1.00 0.00 N ATOM 384 CA GLY A 379 -10.176 5.502 -9.433 1.00 0.00 C ATOM 385 C GLY A 379 -9.440 4.185 -9.286 1.00 0.00 C ATOM 386 O GLY A 379 -9.831 3.186 -9.889 1.00 0.00 O ATOM 0 H GLY A 379 -9.743 7.194 -8.282 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.201 5.305 -9.748 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.706 6.087 -10.223 1.00 0.00 H new ATOM 390 N SER A 380 -8.369 4.178 -8.497 1.00 0.00 N ATOM 391 CA SER A 380 -7.588 2.964 -8.298 1.00 0.00 C ATOM 392 C SER A 380 -8.329 1.961 -7.420 1.00 0.00 C ATOM 393 O SER A 380 -8.398 0.773 -7.737 1.00 0.00 O ATOM 394 CB SER A 380 -6.241 3.300 -7.675 1.00 0.00 C ATOM 395 OG SER A 380 -5.465 2.132 -7.471 1.00 0.00 O ATOM 0 H SER A 380 -8.025 4.993 -7.989 1.00 0.00 H new ATOM 0 HA SER A 380 -7.431 2.508 -9.275 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.700 3.991 -8.322 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.394 3.809 -6.723 1.00 0.00 H new ATOM 0 HG SER A 380 -5.127 2.120 -6.551 1.00 0.00 H new ATOM 401 N CYS A 381 -8.870 2.450 -6.311 1.00 0.00 N ATOM 402 CA CYS A 381 -9.590 1.606 -5.364 1.00 0.00 C ATOM 403 C CYS A 381 -10.771 0.892 -6.014 1.00 0.00 C ATOM 404 O CYS A 381 -10.977 -0.302 -5.794 1.00 0.00 O ATOM 405 CB CYS A 381 -10.065 2.444 -4.181 1.00 0.00 C ATOM 406 SG CYS A 381 -8.708 3.238 -3.264 1.00 0.00 S ATOM 0 H CYS A 381 -8.823 3.433 -6.044 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.901 0.837 -5.015 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.748 3.213 -4.541 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.631 1.809 -3.500 1.00 0.00 H new ATOM 411 N ASN A 382 -11.544 1.624 -6.809 1.00 0.00 N ATOM 412 CA ASN A 382 -12.704 1.048 -7.485 1.00 0.00 C ATOM 413 C ASN A 382 -12.303 -0.195 -8.266 1.00 0.00 C ATOM 414 O ASN A 382 -13.067 -1.154 -8.370 1.00 0.00 O ATOM 415 CB ASN A 382 -13.333 2.069 -8.435 1.00 0.00 C ATOM 416 CG ASN A 382 -13.763 3.343 -7.733 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.549 3.410 -6.424 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.286 4.264 -8.363 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.390 2.614 -7.002 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.435 0.771 -6.725 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.618 2.316 -9.220 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.198 1.619 -8.922 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.434 4.175 -9.368 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.571 5.115 -7.879 1.00 0.00 H new ATOM 425 N LYS A 383 -11.096 -0.162 -8.814 1.00 0.00 N ATOM 426 CA LYS A 383 -10.574 -1.273 -9.594 1.00 0.00 C ATOM 427 C LYS A 383 -10.198 -2.445 -8.695 1.00 0.00 C ATOM 428 O LYS A 383 -10.394 -3.606 -9.058 1.00 0.00 O ATOM 429 CB LYS A 383 -9.355 -0.816 -10.393 1.00 0.00 C ATOM 430 CG LYS A 383 -9.619 0.420 -11.240 1.00 0.00 C ATOM 431 CD LYS A 383 -10.698 0.170 -12.284 1.00 0.00 C ATOM 432 CE LYS A 383 -10.285 -0.910 -13.273 1.00 0.00 C ATOM 433 NZ LYS A 383 -11.347 -1.173 -14.283 1.00 0.00 N ATOM 0 H LYS A 383 -10.457 0.629 -8.731 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.353 -1.607 -10.279 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.535 -0.608 -9.705 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.029 -1.629 -11.041 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -9.922 1.245 -10.595 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -8.697 0.725 -11.736 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.623 -0.125 -11.788 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -10.906 1.095 -12.821 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -9.369 -0.607 -13.780 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -10.061 -1.830 -12.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.027 -1.915 -14.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -12.214 -1.487 -13.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.543 -0.302 -14.816 1.00 0.00 H new ATOM 447 N LYS A 384 -9.632 -2.133 -7.532 1.00 0.00 N ATOM 448 CA LYS A 384 -9.200 -3.150 -6.590 1.00 0.00 C ATOM 449 C LYS A 384 -10.337 -4.061 -6.162 1.00 0.00 C ATOM 450 O LYS A 384 -11.465 -3.968 -6.649 1.00 0.00 O ATOM 451 CB LYS A 384 -8.602 -2.489 -5.356 1.00 0.00 C ATOM 452 CG LYS A 384 -7.714 -1.299 -5.668 1.00 0.00 C ATOM 453 CD LYS A 384 -6.444 -1.674 -6.420 1.00 0.00 C ATOM 454 CE LYS A 384 -6.684 -1.969 -7.894 1.00 0.00 C ATOM 455 NZ LYS A 384 -5.414 -2.273 -8.611 1.00 0.00 N ATOM 0 H LYS A 384 -9.463 -1.176 -7.222 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.453 -3.761 -7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.411 -2.165 -4.701 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.022 -3.229 -4.804 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.279 -0.579 -6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.443 -0.803 -4.736 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.724 -0.861 -6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -5.996 -2.549 -5.949 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -7.366 -2.814 -7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.170 -1.113 -8.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -5.619 -2.468 -9.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.772 -1.457 -8.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -4.963 -3.106 -8.181 1.00 0.00 H new ATOM 469 N ASP A 385 -10.010 -4.927 -5.223 1.00 0.00 N ATOM 470 CA ASP A 385 -10.951 -5.877 -4.655 1.00 0.00 C ATOM 471 C ASP A 385 -10.630 -6.047 -3.180 1.00 0.00 C ATOM 472 O ASP A 385 -9.796 -5.321 -2.648 1.00 0.00 O ATOM 473 CB ASP A 385 -10.852 -7.226 -5.370 1.00 0.00 C ATOM 474 CG ASP A 385 -11.227 -7.146 -6.838 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.527 -6.441 -7.594 1.00 0.00 O ATOM 476 OD2 ASP A 385 -12.222 -7.791 -7.232 1.00 0.00 O ATOM 0 H ASP A 385 -9.072 -4.993 -4.827 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.967 -5.503 -4.779 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.834 -7.605 -5.281 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.504 -7.944 -4.872 1.00 0.00 H new ATOM 481 N GLN A 386 -11.263 -7.004 -2.516 1.00 0.00 N ATOM 482 CA GLN A 386 -10.987 -7.227 -1.102 1.00 0.00 C ATOM 483 C GLN A 386 -9.493 -7.431 -0.890 1.00 0.00 C ATOM 484 O GLN A 386 -8.873 -6.775 -0.053 1.00 0.00 O ATOM 485 CB GLN A 386 -11.763 -8.440 -0.585 1.00 0.00 C ATOM 486 CG GLN A 386 -11.556 -8.709 0.897 1.00 0.00 C ATOM 487 CD GLN A 386 -12.410 -9.852 1.409 1.00 0.00 C ATOM 488 OE1 GLN A 386 -12.315 -10.978 0.922 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.249 -9.566 2.397 1.00 0.00 N ATOM 0 H GLN A 386 -11.959 -7.629 -2.923 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.310 -6.349 -0.543 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.826 -8.288 -0.773 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.462 -9.321 -1.151 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.505 -8.937 1.077 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.788 -7.806 1.462 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.294 -8.618 2.770 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.849 -10.295 2.784 1.00 0.00 H new ATOM 498 N ASN A 387 -8.921 -8.335 -1.675 1.00 0.00 N ATOM 499 CA ASN A 387 -7.502 -8.639 -1.601 1.00 0.00 C ATOM 500 C ASN A 387 -6.651 -7.473 -2.105 1.00 0.00 C ATOM 501 O ASN A 387 -5.505 -7.308 -1.683 1.00 0.00 O ATOM 502 CB ASN A 387 -7.204 -9.896 -2.419 1.00 0.00 C ATOM 503 CG ASN A 387 -5.724 -10.191 -2.511 1.00 0.00 C ATOM 504 OD1 ASN A 387 -5.053 -10.394 -1.498 1.00 0.00 O ATOM 505 ND2 ASN A 387 -5.207 -10.219 -3.730 1.00 0.00 N ATOM 0 H ASN A 387 -9.427 -8.875 -2.377 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.245 -8.810 -0.556 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.713 -10.748 -1.968 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.610 -9.777 -3.423 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -4.214 -10.415 -3.859 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.802 -10.045 -4.540 1.00 0.00 H new ATOM 512 N GLU A 388 -7.203 -6.677 -3.017 1.00 0.00 N ATOM 513 CA GLU A 388 -6.474 -5.544 -3.582 1.00 0.00 C ATOM 514 C GLU A 388 -6.857 -4.230 -2.914 1.00 0.00 C ATOM 515 O GLU A 388 -6.395 -3.165 -3.325 1.00 0.00 O ATOM 516 CB GLU A 388 -6.720 -5.450 -5.089 1.00 0.00 C ATOM 517 CG GLU A 388 -6.273 -6.683 -5.853 1.00 0.00 C ATOM 518 CD GLU A 388 -6.513 -6.562 -7.345 1.00 0.00 C ATOM 519 OE1 GLU A 388 -5.957 -5.631 -7.964 1.00 0.00 O ATOM 520 OE2 GLU A 388 -7.258 -7.401 -7.896 1.00 0.00 O ATOM 0 H GLU A 388 -8.149 -6.794 -3.380 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.414 -5.717 -3.396 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.783 -5.288 -5.266 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.195 -4.579 -5.481 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.212 -6.853 -5.672 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.805 -7.555 -5.472 1.00 0.00 H new ATOM 527 N CYS A 389 -7.693 -4.297 -1.884 1.00 0.00 N ATOM 528 CA CYS A 389 -8.105 -3.090 -1.184 1.00 0.00 C ATOM 529 C CYS A 389 -6.896 -2.489 -0.474 1.00 0.00 C ATOM 530 O CYS A 389 -6.508 -2.936 0.606 1.00 0.00 O ATOM 531 CB CYS A 389 -9.227 -3.405 -0.193 1.00 0.00 C ATOM 532 SG CYS A 389 -10.272 -1.972 0.235 1.00 0.00 S ATOM 0 H CYS A 389 -8.093 -5.162 -1.520 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.492 -2.364 -1.899 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.858 -4.188 -0.613 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.788 -3.806 0.721 1.00 0.00 H new ATOM 537 N LYS A 390 -6.279 -1.500 -1.115 1.00 0.00 N ATOM 538 CA LYS A 390 -5.079 -0.858 -0.582 1.00 0.00 C ATOM 539 C LYS A 390 -5.370 -0.002 0.647 1.00 0.00 C ATOM 540 O LYS A 390 -6.513 0.371 0.907 1.00 0.00 O ATOM 541 CB LYS A 390 -4.411 -0.018 -1.664 1.00 0.00 C ATOM 542 CG LYS A 390 -4.004 -0.825 -2.889 1.00 0.00 C ATOM 543 CD LYS A 390 -3.320 0.045 -3.930 1.00 0.00 C ATOM 544 CE LYS A 390 -2.898 -0.770 -5.143 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.179 0.062 -6.148 1.00 0.00 N ATOM 0 H LYS A 390 -6.592 -1.123 -2.010 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.403 -1.652 -0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.093 0.775 -1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.528 0.465 -1.246 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.333 -1.630 -2.589 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.886 -1.292 -3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.996 0.841 -4.242 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.446 0.523 -3.489 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.255 -1.590 -4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -3.779 -1.217 -5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.520 -0.536 -6.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -2.867 0.492 -6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.647 0.812 -5.661 1.00 0.00 H new ATOM 559 N SER A 391 -4.311 0.286 1.405 1.00 0.00 N ATOM 560 CA SER A 391 -4.417 1.082 2.627 1.00 0.00 C ATOM 561 C SER A 391 -5.159 2.397 2.391 1.00 0.00 C ATOM 562 O SER A 391 -6.114 2.700 3.106 1.00 0.00 O ATOM 563 CB SER A 391 -3.029 1.362 3.201 1.00 0.00 C ATOM 564 OG SER A 391 -3.116 2.084 4.417 1.00 0.00 O ATOM 0 H SER A 391 -3.363 -0.023 1.191 1.00 0.00 H new ATOM 0 HA SER A 391 -4.995 0.499 3.344 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.505 0.421 3.370 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.441 1.929 2.479 1.00 0.00 H new ATOM 0 HG SER A 391 -2.215 2.249 4.765 1.00 0.00 H new ATOM 570 N PRO A 392 -4.752 3.202 1.385 1.00 0.00 N ATOM 571 CA PRO A 392 -5.412 4.472 1.083 1.00 0.00 C ATOM 572 C PRO A 392 -6.913 4.297 0.953 1.00 0.00 C ATOM 573 O PRO A 392 -7.697 5.163 1.348 1.00 0.00 O ATOM 574 CB PRO A 392 -4.812 4.868 -0.275 1.00 0.00 C ATOM 575 CG PRO A 392 -4.141 3.642 -0.779 1.00 0.00 C ATOM 576 CD PRO A 392 -3.645 2.964 0.446 1.00 0.00 C ATOM 0 HA PRO A 392 -5.260 5.216 1.865 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.587 5.204 -0.964 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.103 5.689 -0.168 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.834 3.008 -1.331 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.323 3.886 -1.457 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.468 1.901 0.283 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.708 3.393 0.801 1.00 0.00 H new ATOM 584 N CYS A 393 -7.299 3.164 0.388 1.00 0.00 N ATOM 585 CA CYS A 393 -8.699 2.842 0.182 1.00 0.00 C ATOM 586 C CYS A 393 -9.404 2.576 1.507 1.00 0.00 C ATOM 587 O CYS A 393 -8.958 3.013 2.568 1.00 0.00 O ATOM 588 CB CYS A 393 -8.812 1.609 -0.715 1.00 0.00 C ATOM 589 SG CYS A 393 -7.846 1.711 -2.255 1.00 0.00 S ATOM 0 H CYS A 393 -6.653 2.446 0.061 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.181 3.695 -0.295 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.486 0.734 -0.153 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.861 1.453 -0.968 1.00 0.00 H new ATOM 594 N LYS A 394 -10.500 1.836 1.427 1.00 0.00 N ATOM 595 CA LYS A 394 -11.284 1.471 2.597 1.00 0.00 C ATOM 596 C LYS A 394 -12.295 0.400 2.223 1.00 0.00 C ATOM 597 O LYS A 394 -13.206 0.638 1.431 1.00 0.00 O ATOM 598 CB LYS A 394 -12.001 2.696 3.174 1.00 0.00 C ATOM 599 CG LYS A 394 -12.837 2.385 4.406 1.00 0.00 C ATOM 600 CD LYS A 394 -13.523 3.626 4.953 1.00 0.00 C ATOM 601 CE LYS A 394 -12.512 4.648 5.444 1.00 0.00 C ATOM 602 NZ LYS A 394 -11.699 4.125 6.578 1.00 0.00 N ATOM 0 H LYS A 394 -10.871 1.472 0.549 1.00 0.00 H new ATOM 0 HA LYS A 394 -10.611 1.080 3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.260 3.454 3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -12.645 3.125 2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -13.588 1.636 4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.200 1.952 5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.145 4.072 4.177 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -14.186 3.346 5.771 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -11.852 4.929 4.623 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.033 5.552 5.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -11.183 4.909 7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -12.326 3.679 7.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -11.020 3.421 6.223 1.00 0.00 H new ATOM 616 N TRP A 395 -12.116 -0.787 2.787 1.00 0.00 N ATOM 617 CA TRP A 395 -13.000 -1.903 2.500 1.00 0.00 C ATOM 618 C TRP A 395 -14.383 -1.676 3.096 1.00 0.00 C ATOM 619 O TRP A 395 -14.513 -1.340 4.274 1.00 0.00 O ATOM 620 CB TRP A 395 -12.408 -3.205 3.042 1.00 0.00 C ATOM 621 CG TRP A 395 -13.186 -4.420 2.641 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.745 -5.349 3.470 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.482 -4.843 1.304 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.378 -6.319 2.732 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.229 -6.032 1.400 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.191 -4.330 0.037 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.685 -6.717 0.277 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.646 -5.010 -1.078 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.386 -6.191 -0.951 1.00 0.00 C ATOM 0 H TRP A 395 -11.366 -0.999 3.445 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.101 -1.979 1.417 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.382 -3.305 2.687 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.365 -3.152 4.130 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.697 -5.325 4.549 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.878 -7.122 3.113 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.621 -3.419 -0.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.254 -7.630 0.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.427 -4.623 -2.062 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.729 -6.698 -1.841 1.00 0.00 H new ATOM 640 N HIS A 396 -15.415 -1.876 2.282 1.00 0.00 N ATOM 641 CA HIS A 396 -16.786 -1.705 2.743 1.00 0.00 C ATOM 642 C HIS A 396 -17.532 -3.029 2.723 1.00 0.00 C ATOM 643 O HIS A 396 -17.886 -3.540 1.653 1.00 0.00 O ATOM 644 CB HIS A 396 -17.527 -0.679 1.884 1.00 0.00 C ATOM 645 CG HIS A 396 -16.943 0.698 1.965 1.00 0.00 C ATOM 646 ND1 HIS A 396 -16.817 1.390 3.151 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.453 1.514 1.003 1.00 0.00 C ATOM 648 CE1 HIS A 396 -16.277 2.572 2.915 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.046 2.673 1.620 1.00 0.00 N ATOM 0 H HIS A 396 -15.328 -2.155 1.305 1.00 0.00 H new ATOM 0 HA HIS A 396 -16.747 -1.339 3.769 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.516 -1.010 0.845 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.571 -0.642 2.195 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.393 1.295 -0.053 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.061 3.327 3.656 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -15.633 3.480 1.153 1.00 0.00 H new ATOM 658 N ASN A 397 -17.775 -3.572 3.915 1.00 0.00 N ATOM 659 CA ASN A 397 -18.495 -4.828 4.054 1.00 0.00 C ATOM 660 C ASN A 397 -19.977 -4.562 4.296 1.00 0.00 C ATOM 661 O ASN A 397 -20.433 -4.483 5.436 1.00 0.00 O ATOM 662 CB ASN A 397 -17.897 -5.662 5.194 1.00 0.00 C ATOM 663 CG ASN A 397 -17.650 -4.850 6.453 1.00 0.00 C ATOM 664 OD1 ASN A 397 -16.391 -4.773 6.866 1.00 0.00 O flip ATOM 665 ND2 ASN A 397 -18.576 -4.299 7.048 1.00 0.00 N flip ATOM 0 H ASN A 397 -17.481 -3.157 4.799 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.395 -5.395 3.129 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.571 -6.487 5.426 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -16.957 -6.102 4.861 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -19.530 -4.383 6.697 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -18.389 -3.758 7.892 1.00 0.00 H new ATOM 672 N ASP A 398 -20.717 -4.423 3.202 1.00 0.00 N ATOM 673 CA ASP A 398 -22.151 -4.155 3.250 1.00 0.00 C ATOM 674 C ASP A 398 -22.671 -3.904 1.843 1.00 0.00 C ATOM 675 O ASP A 398 -23.853 -4.100 1.556 1.00 0.00 O ATOM 676 CB ASP A 398 -22.452 -2.944 4.141 1.00 0.00 C ATOM 677 CG ASP A 398 -21.732 -1.689 3.686 1.00 0.00 C ATOM 678 OD1 ASP A 398 -21.989 -1.234 2.551 1.00 0.00 O ATOM 679 OD2 ASP A 398 -20.912 -1.161 4.465 1.00 0.00 O ATOM 0 H ASP A 398 -20.341 -4.493 2.257 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.652 -5.025 3.675 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -23.526 -2.760 4.146 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.163 -3.172 5.167 1.00 0.00 H new ATOM 684 N ALA A 399 -21.763 -3.470 0.970 1.00 0.00 N ATOM 685 CA ALA A 399 -22.090 -3.184 -0.421 1.00 0.00 C ATOM 686 C ALA A 399 -22.901 -4.320 -1.037 1.00 0.00 C ATOM 687 O ALA A 399 -22.868 -5.450 -0.549 1.00 0.00 O ATOM 688 CB ALA A 399 -20.809 -2.950 -1.217 1.00 0.00 C ATOM 0 H ALA A 399 -20.785 -3.308 1.208 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.700 -2.281 -0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.060 -2.737 -2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.267 -2.104 -0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.184 -3.842 -1.171 1.00 0.00 H new ATOM 694 N GLU A 400 -23.629 -4.012 -2.111 1.00 0.00 N ATOM 695 CA GLU A 400 -24.450 -5.007 -2.797 1.00 0.00 C ATOM 696 C GLU A 400 -23.665 -6.297 -3.007 1.00 0.00 C ATOM 697 O GLU A 400 -24.240 -7.381 -3.113 1.00 0.00 O ATOM 698 CB GLU A 400 -24.938 -4.469 -4.146 1.00 0.00 C ATOM 699 CG GLU A 400 -26.035 -3.412 -4.045 1.00 0.00 C ATOM 700 CD GLU A 400 -25.601 -2.158 -3.309 1.00 0.00 C ATOM 701 OE1 GLU A 400 -25.406 -2.224 -2.078 1.00 0.00 O ATOM 702 OE2 GLU A 400 -25.456 -1.105 -3.968 1.00 0.00 O ATOM 0 H GLU A 400 -23.666 -3.080 -2.524 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.316 -5.220 -2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.089 -4.044 -4.682 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.308 -5.302 -4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.360 -3.140 -5.049 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -26.898 -3.842 -3.536 1.00 0.00 H new ATOM 709 N ASN A 401 -22.345 -6.165 -3.056 1.00 0.00 N ATOM 710 CA ASN A 401 -21.460 -7.304 -3.241 1.00 0.00 C ATOM 711 C ASN A 401 -20.063 -6.962 -2.739 1.00 0.00 C ATOM 712 O ASN A 401 -19.063 -7.442 -3.273 1.00 0.00 O ATOM 713 CB ASN A 401 -21.414 -7.692 -4.718 1.00 0.00 C ATOM 714 CG ASN A 401 -20.863 -6.577 -5.586 1.00 0.00 C ATOM 715 OD1 ASN A 401 -21.745 -5.913 -6.319 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -19.664 -6.300 -5.577 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.862 -5.271 -2.969 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.840 -8.150 -2.669 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.798 -8.583 -4.839 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.418 -7.951 -5.055 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -19.021 -6.838 -4.997 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -19.314 -5.532 -6.150 1.00 0.00 H new ATOM 723 N LYS A 402 -20.016 -6.118 -1.706 1.00 0.00 N ATOM 724 CA LYS A 402 -18.754 -5.682 -1.108 1.00 0.00 C ATOM 725 C LYS A 402 -17.960 -4.842 -2.104 1.00 0.00 C ATOM 726 O LYS A 402 -17.871 -5.194 -3.281 1.00 0.00 O ATOM 727 CB LYS A 402 -17.929 -6.893 -0.665 1.00 0.00 C ATOM 728 CG LYS A 402 -18.669 -7.829 0.279 1.00 0.00 C ATOM 729 CD LYS A 402 -19.011 -7.146 1.593 1.00 0.00 C ATOM 730 CE LYS A 402 -19.737 -8.089 2.538 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.918 -9.291 2.860 1.00 0.00 N ATOM 0 H LYS A 402 -20.845 -5.721 -1.264 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.977 -5.072 -0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.620 -7.453 -1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -17.020 -6.542 -0.175 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -19.584 -8.179 -0.199 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -18.055 -8.708 0.475 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -18.097 -6.787 2.066 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -19.634 -6.273 1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -19.984 -7.561 3.459 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -20.679 -8.401 2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -19.333 -9.785 3.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -18.902 -9.930 2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -17.947 -8.998 3.090 1.00 0.00 H new ATOM 745 N LYS A 403 -17.382 -3.729 -1.650 1.00 0.00 N ATOM 746 CA LYS A 403 -16.613 -2.883 -2.563 1.00 0.00 C ATOM 747 C LYS A 403 -15.567 -2.024 -1.850 1.00 0.00 C ATOM 748 O LYS A 403 -15.799 -1.505 -0.759 1.00 0.00 O ATOM 749 CB LYS A 403 -17.550 -2.007 -3.409 1.00 0.00 C ATOM 750 CG LYS A 403 -18.499 -1.123 -2.610 1.00 0.00 C ATOM 751 CD LYS A 403 -17.826 0.147 -2.114 1.00 0.00 C ATOM 752 CE LYS A 403 -18.828 1.089 -1.465 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.519 0.457 -0.308 1.00 0.00 N ATOM 0 H LYS A 403 -17.428 -3.399 -0.686 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.063 -3.557 -3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -16.944 -1.373 -4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -18.140 -2.654 -4.059 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.355 -0.859 -3.231 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -18.884 -1.684 -1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -17.047 -0.109 -1.396 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -17.338 0.651 -2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -18.315 1.991 -1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -19.567 1.397 -2.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -20.537 0.387 -0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -19.131 -0.495 -0.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -19.372 1.036 0.543 1.00 0.00 H new ATOM 767 N CYS A 404 -14.407 -1.883 -2.499 1.00 0.00 N ATOM 768 CA CYS A 404 -13.298 -1.089 -1.972 1.00 0.00 C ATOM 769 C CYS A 404 -13.329 0.320 -2.571 1.00 0.00 C ATOM 770 O CYS A 404 -13.557 0.481 -3.769 1.00 0.00 O ATOM 771 CB CYS A 404 -11.962 -1.765 -2.307 1.00 0.00 C ATOM 772 SG CYS A 404 -10.506 -0.986 -1.534 1.00 0.00 S ATOM 0 H CYS A 404 -14.213 -2.316 -3.402 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.401 -1.018 -0.889 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.009 -2.808 -1.995 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -11.829 -1.762 -3.389 1.00 0.00 H new ATOM 777 N THR A 405 -13.103 1.338 -1.739 1.00 0.00 N ATOM 778 CA THR A 405 -13.118 2.723 -2.214 1.00 0.00 C ATOM 779 C THR A 405 -12.087 3.585 -1.490 1.00 0.00 C ATOM 780 O THR A 405 -11.826 3.399 -0.301 1.00 0.00 O ATOM 781 CB THR A 405 -14.502 3.374 -2.040 1.00 0.00 C ATOM 782 OG1 THR A 405 -14.841 3.440 -0.651 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.570 2.593 -2.789 1.00 0.00 C ATOM 0 H THR A 405 -12.909 1.232 -0.743 1.00 0.00 H new ATOM 0 HA THR A 405 -12.870 2.674 -3.274 1.00 0.00 H new ATOM 0 HB THR A 405 -14.456 4.382 -2.453 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.787 4.369 -0.345 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.538 3.074 -2.649 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.326 2.570 -3.851 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.613 1.574 -2.404 1.00 0.00 H new ATOM 791 N LEU A 406 -11.510 4.534 -2.223 1.00 0.00 N ATOM 792 CA LEU A 406 -10.509 5.442 -1.675 1.00 0.00 C ATOM 793 C LEU A 406 -11.138 6.395 -0.673 1.00 0.00 C ATOM 794 O LEU A 406 -12.266 6.856 -0.855 1.00 0.00 O ATOM 795 CB LEU A 406 -9.840 6.225 -2.808 1.00 0.00 C ATOM 796 CG LEU A 406 -8.560 6.984 -2.440 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.874 8.280 -1.713 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.638 6.112 -1.603 1.00 0.00 C ATOM 0 H LEU A 406 -11.722 4.694 -3.208 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.753 4.854 -1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.607 5.530 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.561 6.940 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 406 -8.048 7.237 -3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.945 8.793 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.482 8.918 -2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.421 8.060 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.736 6.671 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.148 5.818 -0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.367 5.221 -2.169 1.00 0.00 H new ATOM 810 N ASP A 407 -10.398 6.691 0.384 1.00 0.00 N ATOM 811 CA ASP A 407 -10.877 7.598 1.421 1.00 0.00 C ATOM 812 C ASP A 407 -9.864 8.710 1.666 1.00 0.00 C ATOM 813 O ASP A 407 -8.687 8.447 1.908 1.00 0.00 O ATOM 814 CB ASP A 407 -11.145 6.831 2.717 1.00 0.00 C ATOM 815 CG ASP A 407 -11.757 7.708 3.792 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.827 8.300 3.538 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.171 7.797 4.891 1.00 0.00 O ATOM 0 H ASP A 407 -9.463 6.318 0.548 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.810 8.047 1.082 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.813 5.995 2.510 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.210 6.408 3.086 1.00 0.00 H new ATOM 822 N LYS A 408 -10.330 9.952 1.595 1.00 0.00 N ATOM 823 CA LYS A 408 -9.465 11.108 1.802 1.00 0.00 C ATOM 824 C LYS A 408 -8.957 11.165 3.238 1.00 0.00 C ATOM 825 O LYS A 408 -7.798 11.494 3.480 1.00 0.00 O ATOM 826 CB LYS A 408 -10.208 12.401 1.459 1.00 0.00 C ATOM 827 CG LYS A 408 -11.466 12.622 2.282 1.00 0.00 C ATOM 828 CD LYS A 408 -12.135 13.942 1.932 1.00 0.00 C ATOM 829 CE LYS A 408 -13.423 14.137 2.711 1.00 0.00 C ATOM 830 NZ LYS A 408 -14.416 13.065 2.421 1.00 0.00 N ATOM 0 H LYS A 408 -11.303 10.184 1.395 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.606 11.005 1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -9.535 13.246 1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -10.474 12.387 0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -12.164 11.802 2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.215 12.610 3.343 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -11.452 14.765 2.144 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -12.347 13.971 0.863 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -13.203 14.149 3.779 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -13.854 15.107 2.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -15.354 13.359 2.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -14.456 12.897 1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -14.132 12.189 2.904 1.00 0.00 H new ATOM 844 N GLU A 409 -9.836 10.853 4.184 1.00 0.00 N ATOM 845 CA GLU A 409 -9.483 10.876 5.598 1.00 0.00 C ATOM 846 C GLU A 409 -8.367 9.880 5.915 1.00 0.00 C ATOM 847 O GLU A 409 -7.397 10.216 6.596 1.00 0.00 O ATOM 848 CB GLU A 409 -10.716 10.565 6.450 1.00 0.00 C ATOM 849 CG GLU A 409 -10.440 10.579 7.942 1.00 0.00 C ATOM 850 CD GLU A 409 -11.666 10.244 8.768 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.669 10.981 8.668 1.00 0.00 O ATOM 852 OE2 GLU A 409 -11.623 9.244 9.514 1.00 0.00 O ATOM 0 H GLU A 409 -10.801 10.580 3.996 1.00 0.00 H new ATOM 0 HA GLU A 409 -9.118 11.875 5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.496 11.293 6.226 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -11.104 9.586 6.169 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -9.649 9.864 8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -10.071 11.564 8.230 1.00 0.00 H new ATOM 859 N GLU A 410 -8.511 8.654 5.430 1.00 0.00 N ATOM 860 CA GLU A 410 -7.514 7.616 5.676 1.00 0.00 C ATOM 861 C GLU A 410 -6.217 7.920 4.930 1.00 0.00 C ATOM 862 O GLU A 410 -5.129 7.810 5.493 1.00 0.00 O ATOM 863 CB GLU A 410 -8.061 6.249 5.249 1.00 0.00 C ATOM 864 CG GLU A 410 -7.270 5.064 5.790 1.00 0.00 C ATOM 865 CD GLU A 410 -5.825 5.049 5.330 1.00 0.00 C ATOM 866 OE1 GLU A 410 -5.594 5.061 4.104 1.00 0.00 O ATOM 867 OE2 GLU A 410 -4.927 5.025 6.196 1.00 0.00 O ATOM 0 H GLU A 410 -9.305 8.353 4.865 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.297 7.595 6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.095 6.164 5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.071 6.198 4.160 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -7.297 5.084 6.879 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -7.754 4.139 5.476 1.00 0.00 H new ATOM 874 N ALA A 411 -6.339 8.290 3.659 1.00 0.00 N ATOM 875 CA ALA A 411 -5.174 8.593 2.830 1.00 0.00 C ATOM 876 C ALA A 411 -4.378 9.783 3.363 1.00 0.00 C ATOM 877 O ALA A 411 -3.149 9.757 3.369 1.00 0.00 O ATOM 878 CB ALA A 411 -5.605 8.849 1.394 1.00 0.00 C ATOM 0 H ALA A 411 -7.234 8.388 3.179 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.517 7.724 2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.729 9.074 0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.103 7.963 1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.293 9.694 1.366 1.00 0.00 H new ATOM 884 N LYS A 412 -5.072 10.830 3.798 1.00 0.00 N ATOM 885 CA LYS A 412 -4.396 12.014 4.316 1.00 0.00 C ATOM 886 C LYS A 412 -3.577 11.665 5.555 1.00 0.00 C ATOM 887 O LYS A 412 -2.425 12.075 5.684 1.00 0.00 O ATOM 888 CB LYS A 412 -5.402 13.123 4.643 1.00 0.00 C ATOM 889 CG LYS A 412 -6.378 12.765 5.752 1.00 0.00 C ATOM 890 CD LYS A 412 -7.335 13.909 6.052 1.00 0.00 C ATOM 891 CE LYS A 412 -6.602 15.123 6.601 1.00 0.00 C ATOM 892 NZ LYS A 412 -7.534 16.240 6.915 1.00 0.00 N ATOM 0 H LYS A 412 -6.091 10.883 3.803 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.722 12.380 3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.856 14.022 4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.965 13.366 3.742 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.947 11.881 5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.824 12.508 6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.868 14.186 5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -8.083 13.579 6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.057 14.841 7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.863 15.460 5.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -6.995 17.048 7.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -8.036 16.527 6.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -8.224 15.927 7.628 1.00 0.00 H new ATOM 906 N LYS A 413 -4.181 10.903 6.462 1.00 0.00 N ATOM 907 CA LYS A 413 -3.506 10.498 7.689 1.00 0.00 C ATOM 908 C LYS A 413 -2.378 9.513 7.394 1.00 0.00 C ATOM 909 O LYS A 413 -1.310 9.579 8.000 1.00 0.00 O ATOM 910 CB LYS A 413 -4.506 9.875 8.665 1.00 0.00 C ATOM 911 CG LYS A 413 -5.653 10.802 9.035 1.00 0.00 C ATOM 912 CD LYS A 413 -6.614 10.142 10.011 1.00 0.00 C ATOM 913 CE LYS A 413 -7.799 11.043 10.319 1.00 0.00 C ATOM 914 NZ LYS A 413 -7.374 12.338 10.918 1.00 0.00 N ATOM 0 H LYS A 413 -5.135 10.554 6.370 1.00 0.00 H new ATOM 0 HA LYS A 413 -3.072 11.388 8.145 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -4.913 8.965 8.224 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -3.980 9.581 9.573 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -5.255 11.715 9.477 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -6.192 11.093 8.133 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -6.970 9.201 9.593 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -6.088 9.902 10.935 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -8.358 11.233 9.403 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -8.475 10.531 11.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -8.207 12.842 11.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -6.710 12.158 11.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -6.908 12.920 10.193 1.00 0.00 H new ATOM 928 N VAL A 414 -2.627 8.594 6.464 1.00 0.00 N ATOM 929 CA VAL A 414 -1.635 7.590 6.097 1.00 0.00 C ATOM 930 C VAL A 414 -0.403 8.237 5.469 1.00 0.00 C ATOM 931 O VAL A 414 0.725 7.804 5.702 1.00 0.00 O ATOM 932 CB VAL A 414 -2.219 6.534 5.138 1.00 0.00 C ATOM 933 CG1 VAL A 414 -2.155 7.013 3.708 1.00 0.00 C ATOM 934 CG2 VAL A 414 -1.495 5.206 5.302 1.00 0.00 C ATOM 0 H VAL A 414 -3.507 8.525 5.952 1.00 0.00 H new ATOM 0 HA VAL A 414 -1.338 7.087 7.017 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.268 6.383 5.392 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -2.573 6.251 3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -2.729 7.934 3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -1.117 7.200 3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.921 4.473 4.617 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -0.436 5.339 5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.609 4.854 6.327 1.00 0.00 H new ATOM 944 N ALA A 415 -0.630 9.278 4.673 1.00 0.00 N ATOM 945 CA ALA A 415 0.456 9.988 4.010 1.00 0.00 C ATOM 946 C ALA A 415 1.237 10.841 5.002 1.00 0.00 C ATOM 947 O ALA A 415 2.463 10.919 4.937 1.00 0.00 O ATOM 948 CB ALA A 415 -0.090 10.851 2.881 1.00 0.00 C ATOM 0 H ALA A 415 -1.559 9.648 4.472 1.00 0.00 H new ATOM 0 HA ALA A 415 1.139 9.250 3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 415 0.732 11.376 2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.599 10.219 2.153 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.795 11.577 3.286 1.00 0.00 H new ATOM 954 N ASP A 416 0.516 11.480 5.920 1.00 0.00 N ATOM 955 CA ASP A 416 1.144 12.331 6.928 1.00 0.00 C ATOM 956 C ASP A 416 1.704 11.504 8.082 1.00 0.00 C ATOM 957 O ASP A 416 1.664 11.925 9.238 1.00 0.00 O ATOM 958 CB ASP A 416 0.146 13.361 7.458 1.00 0.00 C ATOM 959 CG ASP A 416 -0.280 14.354 6.395 1.00 0.00 C ATOM 960 OD1 ASP A 416 0.603 15.032 5.830 1.00 0.00 O ATOM 961 OD2 ASP A 416 -1.495 14.458 6.131 1.00 0.00 O ATOM 0 H ASP A 416 -0.500 11.425 5.987 1.00 0.00 H new ATOM 0 HA ASP A 416 1.973 12.853 6.450 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.734 12.845 7.843 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.592 13.898 8.295 1.00 0.00 H new ATOM 966 N GLU A 417 2.236 10.331 7.753 1.00 0.00 N ATOM 967 CA GLU A 417 2.820 9.436 8.748 1.00 0.00 C ATOM 968 C GLU A 417 3.905 8.571 8.116 1.00 0.00 C ATOM 969 O GLU A 417 4.982 8.394 8.686 1.00 0.00 O ATOM 970 CB GLU A 417 1.746 8.538 9.372 1.00 0.00 C ATOM 971 CG GLU A 417 0.721 9.289 10.205 1.00 0.00 C ATOM 972 CD GLU A 417 -0.306 8.369 10.836 1.00 0.00 C ATOM 973 OE1 GLU A 417 0.093 7.484 11.622 1.00 0.00 O ATOM 974 OE2 GLU A 417 -1.510 8.533 10.546 1.00 0.00 O ATOM 0 H GLU A 417 2.275 9.976 6.798 1.00 0.00 H new ATOM 0 HA GLU A 417 3.263 10.051 9.532 1.00 0.00 H new ATOM 0 HB2 GLU A 417 1.229 8.000 8.577 1.00 0.00 H new ATOM 0 HB3 GLU A 417 2.231 7.790 9.999 1.00 0.00 H new ATOM 0 HG2 GLU A 417 1.234 9.847 10.989 1.00 0.00 H new ATOM 0 HG3 GLU A 417 0.211 10.019 9.576 1.00 0.00 H new ATOM 981 N THR A 418 3.613 8.034 6.934 1.00 0.00 N ATOM 982 CA THR A 418 4.562 7.188 6.217 1.00 0.00 C ATOM 983 C THR A 418 5.606 8.029 5.482 1.00 0.00 C ATOM 984 O THR A 418 5.871 7.813 4.300 1.00 0.00 O ATOM 985 CB THR A 418 3.847 6.275 5.203 1.00 0.00 C ATOM 986 OG1 THR A 418 3.143 7.067 4.240 1.00 0.00 O ATOM 987 CG2 THR A 418 2.873 5.342 5.909 1.00 0.00 C ATOM 0 H THR A 418 2.725 8.170 6.452 1.00 0.00 H new ATOM 0 HA THR A 418 5.059 6.569 6.964 1.00 0.00 H new ATOM 0 HB THR A 418 4.601 5.673 4.695 1.00 0.00 H new ATOM 0 HG1 THR A 418 2.304 7.389 4.631 1.00 0.00 H new ATOM 0 HG21 THR A 418 2.380 4.707 5.173 1.00 0.00 H new ATOM 0 HG22 THR A 418 3.416 4.719 6.620 1.00 0.00 H new ATOM 0 HG23 THR A 418 2.125 5.931 6.440 1.00 0.00 H new ATOM 995 N ALA A 419 6.191 8.990 6.192 1.00 0.00 N ATOM 996 CA ALA A 419 7.203 9.866 5.610 1.00 0.00 C ATOM 997 C ALA A 419 7.918 10.665 6.694 1.00 0.00 C ATOM 998 O ALA A 419 9.135 10.850 6.636 1.00 0.00 O ATOM 999 CB ALA A 419 6.566 10.803 4.594 1.00 0.00 C ATOM 0 H ALA A 419 5.981 9.182 7.172 1.00 0.00 H new ATOM 0 HA ALA A 419 7.942 9.246 5.102 1.00 0.00 H new ATOM 0 HB1 ALA A 419 7.331 11.451 4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 419 6.102 10.218 3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 419 5.808 11.412 5.086 1.00 0.00 H new ATOM 1005 N LYS A 420 7.147 11.129 7.682 1.00 0.00 N ATOM 1006 CA LYS A 420 7.676 11.910 8.803 1.00 0.00 C ATOM 1007 C LYS A 420 8.047 13.331 8.377 1.00 0.00 C ATOM 1008 O LYS A 420 7.802 14.289 9.111 1.00 0.00 O ATOM 1009 CB LYS A 420 8.886 11.218 9.443 1.00 0.00 C ATOM 1010 CG LYS A 420 8.546 9.937 10.200 1.00 0.00 C ATOM 1011 CD LYS A 420 8.086 8.829 9.265 1.00 0.00 C ATOM 1012 CE LYS A 420 7.746 7.558 10.027 1.00 0.00 C ATOM 1013 NZ LYS A 420 6.658 7.778 11.020 1.00 0.00 N ATOM 0 H LYS A 420 6.140 10.974 7.727 1.00 0.00 H new ATOM 0 HA LYS A 420 6.881 11.975 9.546 1.00 0.00 H new ATOM 0 HB2 LYS A 420 9.611 10.984 8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 420 9.368 11.915 10.129 1.00 0.00 H new ATOM 0 HG2 LYS A 420 9.421 9.602 10.757 1.00 0.00 H new ATOM 0 HG3 LYS A 420 7.763 10.144 10.930 1.00 0.00 H new ATOM 0 HD2 LYS A 420 7.212 9.163 8.706 1.00 0.00 H new ATOM 0 HD3 LYS A 420 8.869 8.619 8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 420 7.443 6.783 9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 420 8.636 7.193 10.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 6.387 6.868 11.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 6.993 8.422 11.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 5.834 8.197 10.545 1.00 0.00 H new ATOM 1027 N ASP A 421 8.632 13.463 7.191 1.00 0.00 N ATOM 1028 CA ASP A 421 9.030 14.767 6.672 1.00 0.00 C ATOM 1029 C ASP A 421 9.471 14.652 5.217 1.00 0.00 C ATOM 1030 O ASP A 421 9.052 15.440 4.368 1.00 0.00 O ATOM 1031 CB ASP A 421 10.164 15.357 7.517 1.00 0.00 C ATOM 1032 CG ASP A 421 10.577 16.742 7.053 1.00 0.00 C ATOM 1033 OD1 ASP A 421 11.040 16.871 5.901 1.00 0.00 O ATOM 1034 OD2 ASP A 421 10.434 17.698 7.844 1.00 0.00 O ATOM 0 H ASP A 421 8.841 12.681 6.570 1.00 0.00 H new ATOM 0 HA ASP A 421 8.168 15.432 6.726 1.00 0.00 H new ATOM 0 HB2 ASP A 421 9.848 15.406 8.559 1.00 0.00 H new ATOM 0 HB3 ASP A 421 11.027 14.692 7.476 1.00 0.00 H new ATOM 1039 N GLY A 422 10.317 13.665 4.938 1.00 0.00 N ATOM 1040 CA GLY A 422 10.799 13.464 3.584 1.00 0.00 C ATOM 1041 C GLY A 422 11.530 14.676 3.043 1.00 0.00 C ATOM 1042 O GLY A 422 12.465 15.179 3.668 1.00 0.00 O ATOM 0 H GLY A 422 10.677 13.002 5.624 1.00 0.00 H new ATOM 0 HA2 GLY A 422 11.466 12.602 3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 422 9.957 13.231 2.933 1.00 0.00 H new ATOM 1046 N LYS A 423 11.102 15.145 1.874 1.00 0.00 N ATOM 1047 CA LYS A 423 11.717 16.303 1.239 1.00 0.00 C ATOM 1048 C LYS A 423 10.826 16.848 0.128 1.00 0.00 C ATOM 1049 O LYS A 423 10.231 16.086 -0.634 1.00 0.00 O ATOM 1050 CB LYS A 423 13.091 15.933 0.674 1.00 0.00 C ATOM 1051 CG LYS A 423 13.050 14.790 -0.327 1.00 0.00 C ATOM 1052 CD LYS A 423 14.434 14.481 -0.872 1.00 0.00 C ATOM 1053 CE LYS A 423 14.399 13.330 -1.863 1.00 0.00 C ATOM 1054 NZ LYS A 423 13.907 12.071 -1.238 1.00 0.00 N ATOM 0 H LYS A 423 10.329 14.738 1.347 1.00 0.00 H new ATOM 0 HA LYS A 423 11.841 17.079 1.995 1.00 0.00 H new ATOM 0 HB2 LYS A 423 13.525 16.810 0.194 1.00 0.00 H new ATOM 0 HB3 LYS A 423 13.752 15.660 1.497 1.00 0.00 H new ATOM 0 HG2 LYS A 423 12.638 13.901 0.150 1.00 0.00 H new ATOM 0 HG3 LYS A 423 12.383 15.048 -1.149 1.00 0.00 H new ATOM 0 HD2 LYS A 423 14.841 15.368 -1.357 1.00 0.00 H new ATOM 0 HD3 LYS A 423 15.103 14.233 -0.048 1.00 0.00 H new ATOM 0 HE2 LYS A 423 13.756 13.594 -2.702 1.00 0.00 H new ATOM 0 HE3 LYS A 423 15.399 13.168 -2.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 14.547 11.289 -1.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 13.879 12.184 -0.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 12.951 11.860 -1.589 1.00 0.00 H new ATOM 1068 N THR A 424 10.737 18.171 0.044 1.00 0.00 N ATOM 1069 CA THR A 424 9.916 18.822 -0.971 1.00 0.00 C ATOM 1070 C THR A 424 10.614 20.056 -1.532 1.00 0.00 C ATOM 1071 O THR A 424 11.163 20.864 -0.783 1.00 0.00 O ATOM 1072 CB THR A 424 8.546 19.239 -0.403 1.00 0.00 C ATOM 1073 OG1 THR A 424 8.724 20.168 0.674 1.00 0.00 O ATOM 1074 CG2 THR A 424 7.768 18.028 0.090 1.00 0.00 C ATOM 0 H THR A 424 11.224 18.815 0.668 1.00 0.00 H new ATOM 0 HA THR A 424 9.765 18.095 -1.769 1.00 0.00 H new ATOM 0 HB THR A 424 7.977 19.713 -1.203 1.00 0.00 H new ATOM 0 HG1 THR A 424 7.849 20.430 1.028 1.00 0.00 H new ATOM 0 HG21 THR A 424 6.805 18.351 0.486 1.00 0.00 H new ATOM 0 HG22 THR A 424 7.607 17.337 -0.738 1.00 0.00 H new ATOM 0 HG23 THR A 424 8.334 17.527 0.876 1.00 0.00 H new ATOM 1082 N GLY A 425 10.589 20.191 -2.854 1.00 0.00 N ATOM 1083 CA GLY A 425 11.224 21.326 -3.497 1.00 0.00 C ATOM 1084 C GLY A 425 11.043 21.314 -5.002 1.00 0.00 C ATOM 1085 O GLY A 425 10.761 22.347 -5.608 1.00 0.00 O ATOM 0 H GLY A 425 10.140 19.534 -3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 425 10.809 22.249 -3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 425 12.288 21.325 -3.262 1.00 0.00 H new ATOM 1089 N ASN A 426 11.207 20.140 -5.607 1.00 0.00 N ATOM 1090 CA ASN A 426 11.061 19.994 -7.051 1.00 0.00 C ATOM 1091 C ASN A 426 9.675 20.433 -7.515 1.00 0.00 C ATOM 1092 O ASN A 426 8.666 20.137 -6.875 1.00 0.00 O ATOM 1093 CB ASN A 426 11.333 18.547 -7.480 1.00 0.00 C ATOM 1094 CG ASN A 426 10.461 17.523 -6.765 1.00 0.00 C ATOM 1095 OD1 ASN A 426 9.640 17.972 -5.821 1.00 0.00 O flip ATOM 1096 ND2 ASN A 426 10.532 16.329 -7.060 1.00 0.00 N flip ATOM 0 H ASN A 426 11.441 19.276 -5.118 1.00 0.00 H new ATOM 0 HA ASN A 426 11.797 20.643 -7.525 1.00 0.00 H new ATOM 0 HB2 ASN A 426 11.174 18.460 -8.555 1.00 0.00 H new ATOM 0 HB3 ASN A 426 12.381 18.313 -7.293 1.00 0.00 H new ATOM 0 HD21 ASN A 426 11.174 16.021 -7.790 1.00 0.00 H new ATOM 0 HD22 ASN A 426 9.949 15.648 -6.574 1.00 0.00 H new ATOM 1103 N THR A 427 9.637 21.148 -8.635 1.00 0.00 N ATOM 1104 CA THR A 427 8.381 21.637 -9.190 1.00 0.00 C ATOM 1105 C THR A 427 7.451 20.484 -9.553 1.00 0.00 C ATOM 1106 O THR A 427 7.877 19.498 -10.156 1.00 0.00 O ATOM 1107 CB THR A 427 8.622 22.500 -10.443 1.00 0.00 C ATOM 1108 OG1 THR A 427 9.273 21.722 -11.455 1.00 0.00 O ATOM 1109 CG2 THR A 427 9.474 23.716 -10.109 1.00 0.00 C ATOM 0 H THR A 427 10.463 21.402 -9.176 1.00 0.00 H new ATOM 0 HA THR A 427 7.911 22.248 -8.419 1.00 0.00 H new ATOM 0 HB THR A 427 7.655 22.843 -10.811 1.00 0.00 H new ATOM 0 HG1 THR A 427 9.421 22.277 -12.249 1.00 0.00 H new ATOM 0 HG21 THR A 427 9.630 24.309 -11.010 1.00 0.00 H new ATOM 0 HG22 THR A 427 8.965 24.322 -9.359 1.00 0.00 H new ATOM 0 HG23 THR A 427 10.438 23.389 -9.718 1.00 0.00 H new ATOM 1117 N ASN A 428 6.179 20.619 -9.186 1.00 0.00 N ATOM 1118 CA ASN A 428 5.180 19.598 -9.473 1.00 0.00 C ATOM 1119 C ASN A 428 3.804 20.049 -8.997 1.00 0.00 C ATOM 1120 O ASN A 428 2.828 19.996 -9.746 1.00 0.00 O ATOM 1121 CB ASN A 428 5.553 18.274 -8.802 1.00 0.00 C ATOM 1122 CG ASN A 428 4.534 17.182 -9.071 1.00 0.00 C ATOM 1123 OD1 ASN A 428 4.288 16.817 -10.220 1.00 0.00 O ATOM 1124 ND2 ASN A 428 3.937 16.657 -8.007 1.00 0.00 N ATOM 0 H ASN A 428 5.816 21.431 -8.687 1.00 0.00 H new ATOM 0 HA ASN A 428 5.150 19.448 -10.552 1.00 0.00 H new ATOM 0 HB2 ASN A 428 6.531 17.951 -9.160 1.00 0.00 H new ATOM 0 HB3 ASN A 428 5.642 18.427 -7.727 1.00 0.00 H new ATOM 0 HD21 ASN A 428 3.242 15.919 -8.124 1.00 0.00 H new ATOM 0 HD22 ASN A 428 4.173 16.992 -7.073 1.00 0.00 H new ATOM 1131 N THR A 429 3.736 20.500 -7.749 1.00 0.00 N ATOM 1132 CA THR A 429 2.484 20.968 -7.173 1.00 0.00 C ATOM 1133 C THR A 429 2.014 22.243 -7.869 1.00 0.00 C ATOM 1134 O THR A 429 2.665 22.730 -8.793 1.00 0.00 O ATOM 1135 CB THR A 429 2.629 21.233 -5.660 1.00 0.00 C ATOM 1136 OG1 THR A 429 1.372 21.638 -5.105 1.00 0.00 O ATOM 1137 CG2 THR A 429 3.675 22.307 -5.395 1.00 0.00 C ATOM 0 H THR A 429 4.535 20.551 -7.117 1.00 0.00 H new ATOM 0 HA THR A 429 1.743 20.182 -7.321 1.00 0.00 H new ATOM 0 HB THR A 429 2.952 20.307 -5.184 1.00 0.00 H new ATOM 0 HG1 THR A 429 0.683 20.982 -5.342 1.00 0.00 H new ATOM 0 HG21 THR A 429 3.759 22.476 -4.321 1.00 0.00 H new ATOM 0 HG22 THR A 429 4.638 21.981 -5.788 1.00 0.00 H new ATOM 0 HG23 THR A 429 3.378 23.234 -5.886 1.00 0.00 H new ATOM 1145 N THR A 430 0.881 22.779 -7.423 1.00 0.00 N ATOM 1146 CA THR A 430 0.329 23.997 -8.006 1.00 0.00 C ATOM 1147 C THR A 430 1.070 25.238 -7.509 1.00 0.00 C ATOM 1148 O THR A 430 0.451 26.249 -7.173 1.00 0.00 O ATOM 1149 CB THR A 430 -1.171 24.143 -7.684 1.00 0.00 C ATOM 1150 OG1 THR A 430 -1.365 24.190 -6.265 1.00 0.00 O ATOM 1151 CG2 THR A 430 -1.963 22.984 -8.270 1.00 0.00 C ATOM 0 H THR A 430 0.328 22.389 -6.660 1.00 0.00 H new ATOM 0 HA THR A 430 0.456 23.914 -9.085 1.00 0.00 H new ATOM 0 HB THR A 430 -1.528 25.071 -8.130 1.00 0.00 H new ATOM 0 HG1 THR A 430 -2.320 24.285 -6.068 1.00 0.00 H new ATOM 0 HG21 THR A 430 -3.019 23.107 -8.031 1.00 0.00 H new ATOM 0 HG22 THR A 430 -1.836 22.967 -9.352 1.00 0.00 H new ATOM 0 HG23 THR A 430 -1.602 22.046 -7.847 1.00 0.00 H new ATOM 1159 N GLY A 431 2.398 25.156 -7.466 1.00 0.00 N ATOM 1160 CA GLY A 431 3.197 26.279 -7.011 1.00 0.00 C ATOM 1161 C GLY A 431 4.683 25.981 -7.036 1.00 0.00 C ATOM 1162 O GLY A 431 5.118 24.925 -6.578 1.00 0.00 O ATOM 0 H GLY A 431 2.934 24.332 -7.738 1.00 0.00 H new ATOM 0 HA2 GLY A 431 2.993 27.145 -7.640 1.00 0.00 H new ATOM 0 HA3 GLY A 431 2.900 26.545 -5.997 1.00 0.00 H new ATOM 1166 N SER A 432 5.462 26.914 -7.575 1.00 0.00 N ATOM 1167 CA SER A 432 6.909 26.747 -7.659 1.00 0.00 C ATOM 1168 C SER A 432 7.531 26.681 -6.268 1.00 0.00 C ATOM 1169 O SER A 432 7.199 27.479 -5.391 1.00 0.00 O ATOM 1170 CB SER A 432 7.533 27.896 -8.454 1.00 0.00 C ATOM 1171 OG SER A 432 8.940 27.751 -8.542 1.00 0.00 O ATOM 0 H SER A 432 5.116 27.793 -7.960 1.00 0.00 H new ATOM 0 HA SER A 432 7.110 25.807 -8.173 1.00 0.00 H new ATOM 0 HB2 SER A 432 7.104 27.924 -9.456 1.00 0.00 H new ATOM 0 HB3 SER A 432 7.291 28.846 -7.977 1.00 0.00 H new ATOM 0 HG SER A 432 9.314 28.497 -9.056 1.00 0.00 H new ATOM 1177 N SER A 433 8.435 25.723 -6.075 1.00 0.00 N ATOM 1178 CA SER A 433 9.111 25.545 -4.792 1.00 0.00 C ATOM 1179 C SER A 433 8.103 25.271 -3.679 1.00 0.00 C ATOM 1180 O SER A 433 6.928 24.997 -3.999 1.00 0.00 O ATOM 1181 CB SER A 433 9.946 26.782 -4.454 1.00 0.00 C ATOM 1182 OG SER A 433 10.663 26.602 -3.245 1.00 0.00 O ATOM 1183 OXT SER A 433 8.498 25.329 -2.495 1.00 0.00 O ATOM 0 H SER A 433 8.717 25.056 -6.793 1.00 0.00 H new ATOM 0 HA SER A 433 9.774 24.683 -4.875 1.00 0.00 H new ATOM 0 HB2 SER A 433 10.643 26.986 -5.266 1.00 0.00 H new ATOM 0 HB3 SER A 433 9.294 27.651 -4.367 1.00 0.00 H new ATOM 0 HG SER A 433 10.090 26.153 -2.589 1.00 0.00 H new TER 1189 SER A 433