USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=25 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 427 THR OG1 : rot 94:sc= 0.0198 USER MOD Set 1.2: A 428 ASN :FLIP amide:sc= -0.429 F(o=-3.2!,f=0.86) USER MOD Set 1.3: A 430 THR OG1 : rot -6:sc= 0.799 USER MOD Set 1.4: A 433 SER OG : rot -140:sc= 0.472 USER MOD Set 2.1: A 396 HIS : no HE2:sc= -2.24! X(o=-2.2!,f=-1.8) USER MOD Set 2.2: A 405 THR OG1 : rot -91:sc= 0.0399 USER MOD Set 3.1: A 377 THR OG1 : rot 1:sc= 0.074 USER MOD Set 3.2: A 380 SER OG : rot 143:sc= 0.801 USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 HIS : no HD1:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 357 MET CE :methyl -126:sc= -1.59! (180deg=-3.09!) USER MOD Single : A 362 THR OG1 : rot 180:sc= 0 USER MOD Single : A 363 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 364 LYS NZ :NH3+ -165:sc= -0.0411 (180deg=-0.274) USER MOD Single : A 365 HIS : no HD1:sc= -0.352 K(o=-0.35,f=-1.5) USER MOD Single : A 366 LYS NZ :NH3+ -167:sc= -0.0273 (180deg=-0.232) USER MOD Single : A 370 SER OG : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= -0.0894 X(o=-0.089,f=-0.089) USER MOD Single : A 372 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 373 GLN : amide:sc= -0.722 K(o=-0.72,f=-6!) USER MOD Single : A 382 ASN :FLIP amide:sc= -0.624 F(o=-3.8!,f=-0.62) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ 142:sc= 1.15 (180deg=0.916) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 390 LYS NZ :NH3+ 140:sc= -1.14 (180deg=-4.23!) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 397 ASN : amide:sc= 0.411 K(o=0.41,f=-3.5!) USER MOD Single : A 401 ASN : amide:sc= -0.41 X(o=-0.41,f=-0.05) USER MOD Single : A 402 LYS NZ :NH3+ 165:sc= -0.0261 (180deg=-0.237) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ 167:sc= -0.056 (180deg=-0.318) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 THR OG1 : rot -59:sc= 1.19 USER MOD Single : A 420 LYS NZ :NH3+ 170:sc=-0.00252 (180deg=-0.152) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 424 THR OG1 : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc= -1.15 K(o=-1.2,f=-4.3!) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 20.355 7.253 -5.066 1.00 0.00 N ATOM 2 CA GLY A 354 21.637 7.566 -5.754 1.00 0.00 C ATOM 3 C GLY A 354 21.480 8.638 -6.815 1.00 0.00 C ATOM 4 O GLY A 354 20.802 9.641 -6.596 1.00 0.00 O ATOM 0 HA2 GLY A 354 22.371 7.893 -5.017 1.00 0.00 H new ATOM 0 HA3 GLY A 354 22.030 6.659 -6.214 1.00 0.00 H new ATOM 10 N SER A 355 22.108 8.424 -7.967 1.00 0.00 N ATOM 11 CA SER A 355 22.034 9.380 -9.067 1.00 0.00 C ATOM 12 C SER A 355 20.595 9.551 -9.540 1.00 0.00 C ATOM 13 O SER A 355 19.872 8.572 -9.726 1.00 0.00 O ATOM 14 CB SER A 355 22.912 8.920 -10.231 1.00 0.00 C ATOM 15 OG SER A 355 22.478 7.670 -10.735 1.00 0.00 O ATOM 0 H SER A 355 22.673 7.598 -8.163 1.00 0.00 H new ATOM 0 HA SER A 355 22.398 10.342 -8.705 1.00 0.00 H new ATOM 0 HB2 SER A 355 22.886 9.665 -11.026 1.00 0.00 H new ATOM 0 HB3 SER A 355 23.948 8.842 -9.901 1.00 0.00 H new ATOM 0 HG SER A 355 23.055 7.399 -11.480 1.00 0.00 H new ATOM 21 N HIS A 356 20.186 10.800 -9.736 1.00 0.00 N ATOM 22 CA HIS A 356 18.832 11.099 -10.191 1.00 0.00 C ATOM 23 C HIS A 356 18.571 10.478 -11.559 1.00 0.00 C ATOM 24 O HIS A 356 19.396 10.583 -12.467 1.00 0.00 O ATOM 25 CB HIS A 356 18.615 12.614 -10.256 1.00 0.00 C ATOM 26 CG HIS A 356 18.732 13.300 -8.928 1.00 0.00 C ATOM 27 ND1 HIS A 356 18.583 14.663 -8.773 1.00 0.00 N ATOM 28 CD2 HIS A 356 18.981 12.808 -7.690 1.00 0.00 C ATOM 29 CE1 HIS A 356 18.736 14.979 -7.499 1.00 0.00 C ATOM 30 NE2 HIS A 356 18.977 13.872 -6.822 1.00 0.00 N ATOM 0 H HIS A 356 20.772 11.622 -9.587 1.00 0.00 H new ATOM 0 HA HIS A 356 18.131 10.669 -9.475 1.00 0.00 H new ATOM 0 HB2 HIS A 356 19.342 13.047 -10.943 1.00 0.00 H new ATOM 0 HB3 HIS A 356 17.627 12.813 -10.671 1.00 0.00 H new ATOM 0 HD2 HIS A 356 19.151 11.773 -7.434 1.00 0.00 H new ATOM 0 HE1 HIS A 356 18.674 15.974 -7.083 1.00 0.00 H new ATOM 0 HE2 HIS A 356 19.135 13.816 -5.816 1.00 0.00 H new ATOM 39 N MET A 357 17.415 9.832 -11.699 1.00 0.00 N ATOM 40 CA MET A 357 17.041 9.194 -12.956 1.00 0.00 C ATOM 41 C MET A 357 15.608 8.673 -12.897 1.00 0.00 C ATOM 42 O MET A 357 15.318 7.569 -13.360 1.00 0.00 O ATOM 43 CB MET A 357 18.006 8.051 -13.282 1.00 0.00 C ATOM 44 CG MET A 357 18.092 6.993 -12.194 1.00 0.00 C ATOM 45 SD MET A 357 19.258 5.679 -12.597 1.00 0.00 S ATOM 46 CE MET A 357 19.130 4.652 -11.136 1.00 0.00 C ATOM 0 H MET A 357 16.722 9.737 -10.956 1.00 0.00 H new ATOM 0 HA MET A 357 17.101 9.942 -13.747 1.00 0.00 H new ATOM 0 HB2 MET A 357 17.693 7.578 -14.213 1.00 0.00 H new ATOM 0 HB3 MET A 357 19.000 8.464 -13.453 1.00 0.00 H new ATOM 0 HG2 MET A 357 18.390 7.464 -11.257 1.00 0.00 H new ATOM 0 HG3 MET A 357 17.104 6.561 -12.033 1.00 0.00 H new ATOM 0 HE1 MET A 357 20.122 4.495 -10.713 1.00 0.00 H new ATOM 0 HE2 MET A 357 18.496 5.145 -10.399 1.00 0.00 H new ATOM 0 HE3 MET A 357 18.694 3.690 -11.405 1.00 0.00 H new ATOM 56 N LEU A 358 14.716 9.482 -12.329 1.00 0.00 N ATOM 57 CA LEU A 358 13.307 9.116 -12.210 1.00 0.00 C ATOM 58 C LEU A 358 13.140 7.821 -11.421 1.00 0.00 C ATOM 59 O LEU A 358 12.377 6.939 -11.816 1.00 0.00 O ATOM 60 CB LEU A 358 12.680 8.969 -13.598 1.00 0.00 C ATOM 61 CG LEU A 358 12.752 10.220 -14.480 1.00 0.00 C ATOM 62 CD1 LEU A 358 12.152 9.943 -15.850 1.00 0.00 C ATOM 63 CD2 LEU A 358 12.039 11.386 -13.812 1.00 0.00 C ATOM 0 H LEU A 358 14.945 10.398 -11.943 1.00 0.00 H new ATOM 0 HA LEU A 358 12.796 9.913 -11.669 1.00 0.00 H new ATOM 0 HB2 LEU A 358 13.174 8.148 -14.118 1.00 0.00 H new ATOM 0 HB3 LEU A 358 11.634 8.687 -13.479 1.00 0.00 H new ATOM 0 HG LEU A 358 13.801 10.487 -14.611 1.00 0.00 H new ATOM 0 HD11 LEU A 358 12.212 10.843 -16.462 1.00 0.00 H new ATOM 0 HD12 LEU A 358 12.705 9.138 -16.333 1.00 0.00 H new ATOM 0 HD13 LEU A 358 11.108 9.650 -15.738 1.00 0.00 H new ATOM 0 HD21 LEU A 358 12.101 12.266 -14.453 1.00 0.00 H new ATOM 0 HD22 LEU A 358 10.993 11.128 -13.650 1.00 0.00 H new ATOM 0 HD23 LEU A 358 12.512 11.601 -12.854 1.00 0.00 H new ATOM 75 N GLU A 359 13.856 7.719 -10.302 1.00 0.00 N ATOM 76 CA GLU A 359 13.793 6.535 -9.445 1.00 0.00 C ATOM 77 C GLU A 359 14.337 5.304 -10.165 1.00 0.00 C ATOM 78 O GLU A 359 14.107 5.116 -11.360 1.00 0.00 O ATOM 79 CB GLU A 359 12.354 6.279 -8.986 1.00 0.00 C ATOM 80 CG GLU A 359 11.753 7.429 -8.195 1.00 0.00 C ATOM 81 CD GLU A 359 10.326 7.154 -7.761 1.00 0.00 C ATOM 82 OE1 GLU A 359 10.105 6.155 -7.045 1.00 0.00 O ATOM 83 OE2 GLU A 359 9.430 7.939 -8.136 1.00 0.00 O ATOM 0 H GLU A 359 14.489 8.445 -9.966 1.00 0.00 H new ATOM 0 HA GLU A 359 14.416 6.725 -8.571 1.00 0.00 H new ATOM 0 HB2 GLU A 359 11.732 6.086 -9.860 1.00 0.00 H new ATOM 0 HB3 GLU A 359 12.332 5.377 -8.374 1.00 0.00 H new ATOM 0 HG2 GLU A 359 12.367 7.619 -7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 359 11.776 8.334 -8.802 1.00 0.00 H new ATOM 90 N VAL A 360 15.063 4.467 -9.427 1.00 0.00 N ATOM 91 CA VAL A 360 15.639 3.254 -9.995 1.00 0.00 C ATOM 92 C VAL A 360 14.562 2.382 -10.634 1.00 0.00 C ATOM 93 O VAL A 360 13.483 2.200 -10.071 1.00 0.00 O ATOM 94 CB VAL A 360 16.391 2.434 -8.926 1.00 0.00 C ATOM 95 CG1 VAL A 360 17.548 3.237 -8.352 1.00 0.00 C ATOM 96 CG2 VAL A 360 15.443 1.994 -7.819 1.00 0.00 C ATOM 0 H VAL A 360 15.265 4.607 -8.437 1.00 0.00 H new ATOM 0 HA VAL A 360 16.348 3.567 -10.762 1.00 0.00 H new ATOM 0 HB VAL A 360 16.796 1.541 -9.403 1.00 0.00 H new ATOM 0 HG11 VAL A 360 18.066 2.642 -7.600 1.00 0.00 H new ATOM 0 HG12 VAL A 360 18.243 3.497 -9.151 1.00 0.00 H new ATOM 0 HG13 VAL A 360 17.166 4.149 -7.893 1.00 0.00 H new ATOM 0 HG21 VAL A 360 15.994 1.417 -7.076 1.00 0.00 H new ATOM 0 HG22 VAL A 360 15.005 2.872 -7.345 1.00 0.00 H new ATOM 0 HG23 VAL A 360 14.651 1.377 -8.243 1.00 0.00 H new ATOM 106 N LEU A 361 14.862 1.850 -11.817 1.00 0.00 N ATOM 107 CA LEU A 361 13.917 1.002 -12.538 1.00 0.00 C ATOM 108 C LEU A 361 14.576 0.387 -13.770 1.00 0.00 C ATOM 109 O LEU A 361 15.252 1.078 -14.533 1.00 0.00 O ATOM 110 CB LEU A 361 12.678 1.815 -12.941 1.00 0.00 C ATOM 111 CG LEU A 361 11.544 1.022 -13.603 1.00 0.00 C ATOM 112 CD1 LEU A 361 10.236 1.791 -13.508 1.00 0.00 C ATOM 113 CD2 LEU A 361 11.866 0.725 -15.062 1.00 0.00 C ATOM 0 H LEU A 361 15.751 1.991 -12.296 1.00 0.00 H new ATOM 0 HA LEU A 361 13.605 0.192 -11.879 1.00 0.00 H new ATOM 0 HB2 LEU A 361 12.282 2.304 -12.051 1.00 0.00 H new ATOM 0 HB3 LEU A 361 12.991 2.604 -13.625 1.00 0.00 H new ATOM 0 HG LEU A 361 11.441 0.075 -13.073 1.00 0.00 H new ATOM 0 HD11 LEU A 361 9.441 1.216 -13.982 1.00 0.00 H new ATOM 0 HD12 LEU A 361 9.988 1.958 -12.460 1.00 0.00 H new ATOM 0 HD13 LEU A 361 10.341 2.751 -14.014 1.00 0.00 H new ATOM 0 HD21 LEU A 361 11.046 0.162 -15.508 1.00 0.00 H new ATOM 0 HD22 LEU A 361 12.000 1.662 -15.603 1.00 0.00 H new ATOM 0 HD23 LEU A 361 12.783 0.138 -15.120 1.00 0.00 H new ATOM 125 N THR A 362 14.368 -0.913 -13.957 1.00 0.00 N ATOM 126 CA THR A 362 14.934 -1.625 -15.097 1.00 0.00 C ATOM 127 C THR A 362 14.428 -3.063 -15.154 1.00 0.00 C ATOM 128 O THR A 362 14.455 -3.784 -14.157 1.00 0.00 O ATOM 129 CB THR A 362 16.475 -1.632 -15.048 1.00 0.00 C ATOM 130 OG1 THR A 362 16.998 -2.382 -16.152 1.00 0.00 O ATOM 131 CG2 THR A 362 16.973 -2.227 -13.739 1.00 0.00 C ATOM 0 H THR A 362 13.810 -1.495 -13.332 1.00 0.00 H new ATOM 0 HA THR A 362 14.611 -1.095 -15.993 1.00 0.00 H new ATOM 0 HB THR A 362 16.823 -0.601 -15.114 1.00 0.00 H new ATOM 0 HG1 THR A 362 17.977 -2.380 -16.114 1.00 0.00 H new ATOM 0 HG21 THR A 362 18.063 -2.221 -13.728 1.00 0.00 H new ATOM 0 HG22 THR A 362 16.598 -1.635 -12.904 1.00 0.00 H new ATOM 0 HG23 THR A 362 16.615 -3.252 -13.646 1.00 0.00 H new ATOM 139 N GLN A 363 13.965 -3.473 -16.331 1.00 0.00 N ATOM 140 CA GLN A 363 13.452 -4.824 -16.526 1.00 0.00 C ATOM 141 C GLN A 363 14.586 -5.843 -16.503 1.00 0.00 C ATOM 142 O GLN A 363 15.682 -5.578 -16.997 1.00 0.00 O ATOM 143 CB GLN A 363 12.691 -4.917 -17.851 1.00 0.00 C ATOM 144 CG GLN A 363 12.065 -6.280 -18.101 1.00 0.00 C ATOM 145 CD GLN A 363 11.325 -6.346 -19.423 1.00 0.00 C ATOM 146 OE1 GLN A 363 11.912 -6.146 -20.486 1.00 0.00 O ATOM 147 NE2 GLN A 363 10.029 -6.627 -19.362 1.00 0.00 N ATOM 0 H GLN A 363 13.935 -2.887 -17.165 1.00 0.00 H new ATOM 0 HA GLN A 363 12.769 -5.049 -15.707 1.00 0.00 H new ATOM 0 HB2 GLN A 363 11.908 -4.159 -17.864 1.00 0.00 H new ATOM 0 HB3 GLN A 363 13.373 -4.685 -18.669 1.00 0.00 H new ATOM 0 HG2 GLN A 363 12.844 -7.042 -18.086 1.00 0.00 H new ATOM 0 HG3 GLN A 363 11.375 -6.514 -17.290 1.00 0.00 H new ATOM 0 HE21 GLN A 363 9.584 -6.786 -18.458 1.00 0.00 H new ATOM 0 HE22 GLN A 363 9.479 -6.684 -20.219 1.00 0.00 H new ATOM 156 N LYS A 364 14.316 -7.012 -15.929 1.00 0.00 N ATOM 157 CA LYS A 364 15.314 -8.070 -15.846 1.00 0.00 C ATOM 158 C LYS A 364 14.645 -9.430 -15.693 1.00 0.00 C ATOM 159 O LYS A 364 13.419 -9.537 -15.742 1.00 0.00 O ATOM 160 CB LYS A 364 16.267 -7.816 -14.675 1.00 0.00 C ATOM 161 CG LYS A 364 15.566 -7.702 -13.331 1.00 0.00 C ATOM 162 CD LYS A 364 16.559 -7.461 -12.204 1.00 0.00 C ATOM 163 CE LYS A 364 15.857 -7.308 -10.864 1.00 0.00 C ATOM 164 NZ LYS A 364 14.920 -6.151 -10.855 1.00 0.00 N ATOM 0 H LYS A 364 13.414 -7.249 -15.515 1.00 0.00 H new ATOM 0 HA LYS A 364 15.889 -8.069 -16.772 1.00 0.00 H new ATOM 0 HB2 LYS A 364 16.995 -8.626 -14.628 1.00 0.00 H new ATOM 0 HB3 LYS A 364 16.824 -6.898 -14.864 1.00 0.00 H new ATOM 0 HG2 LYS A 364 14.845 -6.885 -13.363 1.00 0.00 H new ATOM 0 HG3 LYS A 364 15.004 -8.615 -13.134 1.00 0.00 H new ATOM 0 HD2 LYS A 364 17.263 -8.292 -12.154 1.00 0.00 H new ATOM 0 HD3 LYS A 364 17.140 -6.563 -12.416 1.00 0.00 H new ATOM 0 HE2 LYS A 364 15.308 -8.221 -10.636 1.00 0.00 H new ATOM 0 HE3 LYS A 364 16.601 -7.179 -10.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 14.658 -5.924 -9.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 15.382 -5.327 -11.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 14.065 -6.393 -11.395 1.00 0.00 H new ATOM 178 N HIS A 365 15.455 -10.468 -15.517 1.00 0.00 N ATOM 179 CA HIS A 365 14.940 -11.824 -15.366 1.00 0.00 C ATOM 180 C HIS A 365 14.409 -12.065 -13.954 1.00 0.00 C ATOM 181 O HIS A 365 14.538 -13.166 -13.418 1.00 0.00 O ATOM 182 CB HIS A 365 16.035 -12.842 -15.694 1.00 0.00 C ATOM 183 CG HIS A 365 16.571 -12.718 -17.086 1.00 0.00 C ATOM 184 ND1 HIS A 365 17.169 -11.572 -17.563 1.00 0.00 N ATOM 185 CD2 HIS A 365 16.599 -13.608 -18.108 1.00 0.00 C ATOM 186 CE1 HIS A 365 17.540 -11.760 -18.817 1.00 0.00 C ATOM 187 NE2 HIS A 365 17.206 -12.987 -19.172 1.00 0.00 N ATOM 0 H HIS A 365 16.472 -10.396 -15.475 1.00 0.00 H new ATOM 0 HA HIS A 365 14.111 -11.947 -16.063 1.00 0.00 H new ATOM 0 HB2 HIS A 365 16.855 -12.722 -14.986 1.00 0.00 H new ATOM 0 HB3 HIS A 365 15.638 -13.848 -15.555 1.00 0.00 H new ATOM 0 HD2 HIS A 365 16.215 -14.617 -18.089 1.00 0.00 H new ATOM 0 HE1 HIS A 365 18.033 -11.033 -19.445 1.00 0.00 H new ATOM 0 HE2 HIS A 365 17.372 -13.406 -20.087 1.00 0.00 H new ATOM 196 N LYS A 366 13.803 -11.037 -13.361 1.00 0.00 N ATOM 197 CA LYS A 366 13.248 -11.150 -12.014 1.00 0.00 C ATOM 198 C LYS A 366 12.593 -9.835 -11.589 1.00 0.00 C ATOM 199 O LYS A 366 13.229 -8.782 -11.609 1.00 0.00 O ATOM 200 CB LYS A 366 14.352 -11.541 -11.019 1.00 0.00 C ATOM 201 CG LYS A 366 13.847 -11.908 -9.627 1.00 0.00 C ATOM 202 CD LYS A 366 13.467 -10.681 -8.809 1.00 0.00 C ATOM 203 CE LYS A 366 14.665 -9.778 -8.566 1.00 0.00 C ATOM 204 NZ LYS A 366 15.742 -10.474 -7.809 1.00 0.00 N ATOM 0 H LYS A 366 13.684 -10.120 -13.791 1.00 0.00 H new ATOM 0 HA LYS A 366 12.485 -11.928 -12.018 1.00 0.00 H new ATOM 0 HB2 LYS A 366 14.907 -12.387 -11.425 1.00 0.00 H new ATOM 0 HB3 LYS A 366 15.054 -10.712 -10.930 1.00 0.00 H new ATOM 0 HG2 LYS A 366 12.981 -12.564 -9.718 1.00 0.00 H new ATOM 0 HG3 LYS A 366 14.618 -12.469 -9.099 1.00 0.00 H new ATOM 0 HD2 LYS A 366 12.689 -10.122 -9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 366 13.048 -10.996 -7.853 1.00 0.00 H new ATOM 0 HE2 LYS A 366 15.059 -9.432 -9.522 1.00 0.00 H new ATOM 0 HE3 LYS A 366 14.347 -8.894 -8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 16.437 -9.777 -7.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 15.328 -10.970 -6.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 16.214 -11.162 -8.430 1.00 0.00 H new ATOM 218 N PRO A 367 11.307 -9.880 -11.192 1.00 0.00 N ATOM 219 CA PRO A 367 10.571 -8.694 -10.757 1.00 0.00 C ATOM 220 C PRO A 367 10.858 -8.327 -9.304 1.00 0.00 C ATOM 221 O PRO A 367 10.798 -9.179 -8.416 1.00 0.00 O ATOM 222 CB PRO A 367 9.121 -9.115 -10.927 1.00 0.00 C ATOM 223 CG PRO A 367 9.123 -10.581 -10.678 1.00 0.00 C ATOM 224 CD PRO A 367 10.466 -11.093 -11.130 1.00 0.00 C ATOM 0 HA PRO A 367 10.846 -7.806 -11.326 1.00 0.00 H new ATOM 0 HB2 PRO A 367 8.472 -8.594 -10.223 1.00 0.00 H new ATOM 0 HB3 PRO A 367 8.756 -8.884 -11.928 1.00 0.00 H new ATOM 0 HG2 PRO A 367 8.963 -10.795 -9.621 1.00 0.00 H new ATOM 0 HG3 PRO A 367 8.318 -11.068 -11.228 1.00 0.00 H new ATOM 0 HD2 PRO A 367 10.871 -11.824 -10.430 1.00 0.00 H new ATOM 0 HD3 PRO A 367 10.400 -11.583 -12.101 1.00 0.00 H new ATOM 232 N ALA A 368 11.165 -7.054 -9.069 1.00 0.00 N ATOM 233 CA ALA A 368 11.459 -6.568 -7.724 1.00 0.00 C ATOM 234 C ALA A 368 11.654 -5.056 -7.720 1.00 0.00 C ATOM 235 O ALA A 368 12.639 -4.548 -7.183 1.00 0.00 O ATOM 236 CB ALA A 368 12.695 -7.259 -7.166 1.00 0.00 C ATOM 0 H ALA A 368 11.217 -6.339 -9.795 1.00 0.00 H new ATOM 0 HA ALA A 368 10.607 -6.804 -7.087 1.00 0.00 H new ATOM 0 HB1 ALA A 368 12.899 -6.885 -6.163 1.00 0.00 H new ATOM 0 HB2 ALA A 368 12.523 -8.334 -7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 368 13.549 -7.053 -7.811 1.00 0.00 H new ATOM 242 N GLU A 369 10.711 -4.342 -8.327 1.00 0.00 N ATOM 243 CA GLU A 369 10.781 -2.887 -8.396 1.00 0.00 C ATOM 244 C GLU A 369 10.892 -2.280 -7.001 1.00 0.00 C ATOM 245 O GLU A 369 10.019 -2.476 -6.156 1.00 0.00 O ATOM 246 CB GLU A 369 9.543 -2.337 -9.109 1.00 0.00 C ATOM 247 CG GLU A 369 9.548 -0.825 -9.263 1.00 0.00 C ATOM 248 CD GLU A 369 10.739 -0.326 -10.056 1.00 0.00 C ATOM 249 OE1 GLU A 369 10.891 -0.746 -11.223 1.00 0.00 O ATOM 250 OE2 GLU A 369 11.518 0.483 -9.512 1.00 0.00 O ATOM 0 H GLU A 369 9.890 -4.747 -8.778 1.00 0.00 H new ATOM 0 HA GLU A 369 11.673 -2.613 -8.960 1.00 0.00 H new ATOM 0 HB2 GLU A 369 9.470 -2.794 -10.096 1.00 0.00 H new ATOM 0 HB3 GLU A 369 8.653 -2.634 -8.554 1.00 0.00 H new ATOM 0 HG2 GLU A 369 8.629 -0.510 -9.757 1.00 0.00 H new ATOM 0 HG3 GLU A 369 9.553 -0.363 -8.276 1.00 0.00 H new ATOM 257 N SER A 370 11.973 -1.542 -6.769 1.00 0.00 N ATOM 258 CA SER A 370 12.204 -0.903 -5.479 1.00 0.00 C ATOM 259 C SER A 370 11.373 0.368 -5.344 1.00 0.00 C ATOM 260 O SER A 370 11.349 1.201 -6.250 1.00 0.00 O ATOM 261 CB SER A 370 13.690 -0.577 -5.308 1.00 0.00 C ATOM 262 OG SER A 370 14.479 -1.752 -5.371 1.00 0.00 O ATOM 0 H SER A 370 12.704 -1.372 -7.460 1.00 0.00 H new ATOM 0 HA SER A 370 11.899 -1.598 -4.697 1.00 0.00 H new ATOM 0 HB2 SER A 370 14.005 0.119 -6.086 1.00 0.00 H new ATOM 0 HB3 SER A 370 13.849 -0.079 -4.351 1.00 0.00 H new ATOM 0 HG SER A 370 15.424 -1.518 -5.261 1.00 0.00 H new ATOM 268 N GLN A 371 10.698 0.508 -4.203 1.00 0.00 N ATOM 269 CA GLN A 371 9.862 1.676 -3.933 1.00 0.00 C ATOM 270 C GLN A 371 8.697 1.767 -4.918 1.00 0.00 C ATOM 271 O GLN A 371 8.862 1.551 -6.117 1.00 0.00 O ATOM 272 CB GLN A 371 10.696 2.958 -3.990 1.00 0.00 C ATOM 273 CG GLN A 371 11.791 3.023 -2.935 1.00 0.00 C ATOM 274 CD GLN A 371 11.241 3.003 -1.522 1.00 0.00 C ATOM 275 OE1 GLN A 371 10.470 3.879 -1.131 1.00 0.00 O ATOM 276 NE2 GLN A 371 11.638 2.001 -0.746 1.00 0.00 N ATOM 0 H GLN A 371 10.715 -0.177 -3.448 1.00 0.00 H new ATOM 0 HA GLN A 371 9.451 1.563 -2.930 1.00 0.00 H new ATOM 0 HB2 GLN A 371 11.150 3.042 -4.977 1.00 0.00 H new ATOM 0 HB3 GLN A 371 10.035 3.816 -3.869 1.00 0.00 H new ATOM 0 HG2 GLN A 371 12.470 2.181 -3.069 1.00 0.00 H new ATOM 0 HG3 GLN A 371 12.377 3.931 -3.080 1.00 0.00 H new ATOM 0 HE21 GLN A 371 12.278 1.296 -1.111 1.00 0.00 H new ATOM 0 HE22 GLN A 371 11.302 1.936 0.215 1.00 0.00 H new ATOM 285 N GLN A 372 7.516 2.092 -4.398 1.00 0.00 N ATOM 286 CA GLN A 372 6.324 2.215 -5.228 1.00 0.00 C ATOM 287 C GLN A 372 5.299 3.137 -4.574 1.00 0.00 C ATOM 288 O GLN A 372 4.972 2.982 -3.397 1.00 0.00 O ATOM 289 CB GLN A 372 5.706 0.836 -5.480 1.00 0.00 C ATOM 290 CG GLN A 372 5.304 0.107 -4.207 1.00 0.00 C ATOM 291 CD GLN A 372 4.724 -1.266 -4.481 1.00 0.00 C ATOM 292 OE1 GLN A 372 3.734 -1.402 -5.200 1.00 0.00 O ATOM 293 NE2 GLN A 372 5.336 -2.292 -3.903 1.00 0.00 N ATOM 0 H GLN A 372 7.360 2.274 -3.407 1.00 0.00 H new ATOM 0 HA GLN A 372 6.619 2.651 -6.183 1.00 0.00 H new ATOM 0 HB2 GLN A 372 4.828 0.951 -6.115 1.00 0.00 H new ATOM 0 HB3 GLN A 372 6.419 0.222 -6.030 1.00 0.00 H new ATOM 0 HG2 GLN A 372 6.175 0.007 -3.559 1.00 0.00 H new ATOM 0 HG3 GLN A 372 4.571 0.706 -3.666 1.00 0.00 H new ATOM 0 HE21 GLN A 372 6.154 -2.132 -3.315 1.00 0.00 H new ATOM 0 HE22 GLN A 372 4.989 -3.240 -4.047 1.00 0.00 H new ATOM 302 N GLN A 373 4.799 4.098 -5.343 1.00 0.00 N ATOM 303 CA GLN A 373 3.816 5.047 -4.840 1.00 0.00 C ATOM 304 C GLN A 373 2.472 4.368 -4.594 1.00 0.00 C ATOM 305 O GLN A 373 1.970 3.637 -5.448 1.00 0.00 O ATOM 306 CB GLN A 373 3.645 6.204 -5.827 1.00 0.00 C ATOM 307 CG GLN A 373 2.663 7.270 -5.362 1.00 0.00 C ATOM 308 CD GLN A 373 3.098 7.950 -4.077 1.00 0.00 C ATOM 309 OE1 GLN A 373 3.207 7.313 -3.029 1.00 0.00 O ATOM 310 NE2 GLN A 373 3.352 9.251 -4.154 1.00 0.00 N ATOM 0 H GLN A 373 5.060 4.239 -6.319 1.00 0.00 H new ATOM 0 HA GLN A 373 4.180 5.438 -3.890 1.00 0.00 H new ATOM 0 HB2 GLN A 373 4.616 6.668 -5.999 1.00 0.00 H new ATOM 0 HB3 GLN A 373 3.308 5.806 -6.784 1.00 0.00 H new ATOM 0 HG2 GLN A 373 2.551 8.020 -6.145 1.00 0.00 H new ATOM 0 HG3 GLN A 373 1.684 6.815 -5.214 1.00 0.00 H new ATOM 0 HE21 GLN A 373 3.248 9.739 -5.044 1.00 0.00 H new ATOM 0 HE22 GLN A 373 3.651 9.762 -3.324 1.00 0.00 H new ATOM 319 N ALA A 374 1.895 4.618 -3.423 1.00 0.00 N ATOM 320 CA ALA A 374 0.609 4.036 -3.064 1.00 0.00 C ATOM 321 C ALA A 374 -0.510 4.610 -3.925 1.00 0.00 C ATOM 322 O ALA A 374 -0.592 5.823 -4.120 1.00 0.00 O ATOM 323 CB ALA A 374 0.317 4.271 -1.590 1.00 0.00 C ATOM 0 H ALA A 374 2.299 5.221 -2.706 1.00 0.00 H new ATOM 0 HA ALA A 374 0.659 2.962 -3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 374 -0.647 3.831 -1.335 1.00 0.00 H new ATOM 0 HB2 ALA A 374 1.098 3.809 -0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 374 0.291 5.342 -1.391 1.00 0.00 H new ATOM 329 N ALA A 375 -1.369 3.735 -4.436 1.00 0.00 N ATOM 330 CA ALA A 375 -2.483 4.160 -5.275 1.00 0.00 C ATOM 331 C ALA A 375 -3.646 4.663 -4.433 1.00 0.00 C ATOM 332 O ALA A 375 -4.740 4.103 -4.456 1.00 0.00 O ATOM 333 CB ALA A 375 -2.928 3.029 -6.189 1.00 0.00 C ATOM 0 H ALA A 375 -1.315 2.728 -4.284 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.139 4.988 -5.895 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -3.760 3.366 -6.807 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -2.098 2.731 -6.830 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -3.245 2.178 -5.587 1.00 0.00 H new ATOM 339 N GLU A 376 -3.388 5.714 -3.675 1.00 0.00 N ATOM 340 CA GLU A 376 -4.384 6.305 -2.804 1.00 0.00 C ATOM 341 C GLU A 376 -5.369 7.176 -3.573 1.00 0.00 C ATOM 342 O GLU A 376 -5.750 8.253 -3.114 1.00 0.00 O ATOM 343 CB GLU A 376 -3.677 7.141 -1.748 1.00 0.00 C ATOM 344 CG GLU A 376 -2.465 6.452 -1.143 1.00 0.00 C ATOM 345 CD GLU A 376 -1.725 7.328 -0.151 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.164 8.476 0.075 1.00 0.00 O ATOM 347 OE2 GLU A 376 -0.705 6.866 0.402 1.00 0.00 O ATOM 0 H GLU A 376 -2.481 6.181 -3.647 1.00 0.00 H new ATOM 0 HA GLU A 376 -4.954 5.500 -2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -3.364 8.086 -2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.383 7.382 -0.953 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.784 5.537 -0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -1.783 6.159 -1.941 1.00 0.00 H new ATOM 354 N THR A 377 -5.790 6.700 -4.731 1.00 0.00 N ATOM 355 CA THR A 377 -6.743 7.429 -5.549 1.00 0.00 C ATOM 356 C THR A 377 -8.062 6.682 -5.642 1.00 0.00 C ATOM 357 O THR A 377 -8.088 5.452 -5.690 1.00 0.00 O ATOM 358 CB THR A 377 -6.208 7.681 -6.968 1.00 0.00 C ATOM 359 OG1 THR A 377 -5.898 6.435 -7.604 1.00 0.00 O ATOM 360 CG2 THR A 377 -4.969 8.561 -6.933 1.00 0.00 C ATOM 0 H THR A 377 -5.486 5.810 -5.127 1.00 0.00 H new ATOM 0 HA THR A 377 -6.900 8.391 -5.061 1.00 0.00 H new ATOM 0 HB THR A 377 -6.982 8.196 -7.537 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.110 5.696 -6.996 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.610 8.724 -7.949 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.216 9.520 -6.477 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.191 8.071 -6.348 1.00 0.00 H new ATOM 368 N GLU A 378 -9.155 7.433 -5.669 1.00 0.00 N ATOM 369 CA GLU A 378 -10.481 6.841 -5.761 1.00 0.00 C ATOM 370 C GLU A 378 -10.562 5.944 -6.984 1.00 0.00 C ATOM 371 O GLU A 378 -11.229 4.910 -6.977 1.00 0.00 O ATOM 372 CB GLU A 378 -11.547 7.933 -5.843 1.00 0.00 C ATOM 373 CG GLU A 378 -12.970 7.401 -5.795 1.00 0.00 C ATOM 374 CD GLU A 378 -14.007 8.505 -5.868 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.999 9.387 -4.983 1.00 0.00 O ATOM 376 OE2 GLU A 378 -14.829 8.487 -6.808 1.00 0.00 O ATOM 0 H GLU A 378 -9.149 8.452 -5.629 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.661 6.244 -4.867 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.402 8.633 -5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.409 8.495 -6.767 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.123 6.708 -6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.112 6.835 -4.875 1.00 0.00 H new ATOM 383 N GLY A 379 -9.874 6.365 -8.034 1.00 0.00 N ATOM 384 CA GLY A 379 -9.863 5.616 -9.270 1.00 0.00 C ATOM 385 C GLY A 379 -9.272 4.227 -9.132 1.00 0.00 C ATOM 386 O GLY A 379 -9.716 3.299 -9.809 1.00 0.00 O ATOM 0 H GLY A 379 -9.319 7.220 -8.050 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -10.884 5.532 -9.643 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.295 6.171 -10.017 1.00 0.00 H new ATOM 390 N SER A 380 -8.268 4.070 -8.272 1.00 0.00 N ATOM 391 CA SER A 380 -7.638 2.766 -8.095 1.00 0.00 C ATOM 392 C SER A 380 -8.461 1.867 -7.176 1.00 0.00 C ATOM 393 O SER A 380 -8.633 0.679 -7.445 1.00 0.00 O ATOM 394 CB SER A 380 -6.229 2.933 -7.531 1.00 0.00 C ATOM 395 OG SER A 380 -6.261 3.604 -6.287 1.00 0.00 O ATOM 0 H SER A 380 -7.879 4.817 -7.696 1.00 0.00 H new ATOM 0 HA SER A 380 -7.583 2.289 -9.074 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.763 1.955 -7.410 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.615 3.494 -8.236 1.00 0.00 H new ATOM 0 HG SER A 380 -5.576 3.229 -5.695 1.00 0.00 H new ATOM 401 N CYS A 381 -8.951 2.441 -6.085 1.00 0.00 N ATOM 402 CA CYS A 381 -9.737 1.698 -5.105 1.00 0.00 C ATOM 403 C CYS A 381 -10.960 1.033 -5.732 1.00 0.00 C ATOM 404 O CYS A 381 -11.225 -0.145 -5.488 1.00 0.00 O ATOM 405 CB CYS A 381 -10.172 2.627 -3.975 1.00 0.00 C ATOM 406 SG CYS A 381 -8.782 3.372 -3.067 1.00 0.00 S ATOM 0 H CYS A 381 -8.817 3.426 -5.854 1.00 0.00 H new ATOM 0 HA CYS A 381 -9.102 0.906 -4.708 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.793 3.422 -4.388 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.794 2.068 -3.276 1.00 0.00 H new ATOM 411 N ASN A 382 -11.704 1.790 -6.531 1.00 0.00 N ATOM 412 CA ASN A 382 -12.903 1.264 -7.181 1.00 0.00 C ATOM 413 C ASN A 382 -12.588 -0.019 -7.940 1.00 0.00 C ATOM 414 O ASN A 382 -13.424 -0.918 -8.039 1.00 0.00 O ATOM 415 CB ASN A 382 -13.490 2.299 -8.144 1.00 0.00 C ATOM 416 CG ASN A 382 -13.832 3.617 -7.470 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.570 3.715 -6.172 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.327 4.541 -8.114 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.501 2.766 -6.745 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.635 1.043 -6.404 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.777 2.484 -8.948 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.389 1.889 -8.604 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.513 4.426 -9.110 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.551 5.422 -7.652 1.00 0.00 H new ATOM 425 N LYS A 383 -11.381 -0.088 -8.483 1.00 0.00 N ATOM 426 CA LYS A 383 -10.948 -1.249 -9.246 1.00 0.00 C ATOM 427 C LYS A 383 -10.625 -2.430 -8.334 1.00 0.00 C ATOM 428 O LYS A 383 -10.909 -3.579 -8.672 1.00 0.00 O ATOM 429 CB LYS A 383 -9.723 -0.886 -10.087 1.00 0.00 C ATOM 430 CG LYS A 383 -9.874 0.426 -10.845 1.00 0.00 C ATOM 431 CD LYS A 383 -11.098 0.425 -11.751 1.00 0.00 C ATOM 432 CE LYS A 383 -11.009 -0.654 -12.820 1.00 0.00 C ATOM 433 NZ LYS A 383 -12.210 -0.660 -13.701 1.00 0.00 N ATOM 0 H LYS A 383 -10.681 0.650 -8.408 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.766 -1.548 -9.901 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.851 -0.822 -9.436 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.531 -1.688 -10.800 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -9.950 1.249 -10.134 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -8.980 0.604 -11.443 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.994 0.269 -11.151 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.199 1.401 -12.227 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -10.116 -0.494 -13.424 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -10.902 -1.629 -12.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.112 -1.409 -14.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.060 -0.837 -13.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -12.298 0.262 -14.174 1.00 0.00 H new ATOM 447 N LYS A 384 -10.012 -2.144 -7.187 1.00 0.00 N ATOM 448 CA LYS A 384 -9.631 -3.178 -6.243 1.00 0.00 C ATOM 449 C LYS A 384 -10.826 -3.968 -5.737 1.00 0.00 C ATOM 450 O LYS A 384 -11.967 -3.749 -6.144 1.00 0.00 O ATOM 451 CB LYS A 384 -8.905 -2.554 -5.053 1.00 0.00 C ATOM 452 CG LYS A 384 -7.845 -1.560 -5.447 1.00 0.00 C ATOM 453 CD LYS A 384 -6.724 -2.264 -6.145 1.00 0.00 C ATOM 454 CE LYS A 384 -6.817 -2.111 -7.643 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.436 -0.743 -8.093 1.00 0.00 N ATOM 0 H LYS A 384 -9.770 -1.198 -6.893 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.973 -3.867 -6.772 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.635 -2.059 -4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.446 -3.347 -4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.272 -0.799 -6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.469 -1.046 -4.563 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.771 -1.866 -5.797 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.741 -3.322 -5.885 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -6.168 -2.843 -8.122 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.835 -2.328 -7.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -5.905 -0.806 -8.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -7.294 -0.175 -8.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.843 -0.292 -7.368 1.00 0.00 H new ATOM 469 N ASP A 385 -10.528 -4.879 -4.826 1.00 0.00 N ATOM 470 CA ASP A 385 -11.527 -5.730 -4.202 1.00 0.00 C ATOM 471 C ASP A 385 -11.104 -6.020 -2.767 1.00 0.00 C ATOM 472 O ASP A 385 -10.405 -5.218 -2.157 1.00 0.00 O ATOM 473 CB ASP A 385 -11.682 -7.040 -4.978 1.00 0.00 C ATOM 474 CG ASP A 385 -12.203 -6.834 -6.388 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.484 -6.225 -7.207 1.00 0.00 O ATOM 476 OD2 ASP A 385 -13.333 -7.284 -6.673 1.00 0.00 O ATOM 0 H ASP A 385 -9.578 -5.050 -4.496 1.00 0.00 H new ATOM 0 HA ASP A 385 -12.489 -5.217 -4.208 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -10.718 -7.546 -5.023 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -12.362 -7.698 -4.437 1.00 0.00 H new ATOM 481 N GLN A 386 -11.503 -7.164 -2.231 1.00 0.00 N ATOM 482 CA GLN A 386 -11.126 -7.516 -0.868 1.00 0.00 C ATOM 483 C GLN A 386 -9.611 -7.655 -0.758 1.00 0.00 C ATOM 484 O GLN A 386 -8.959 -6.912 -0.022 1.00 0.00 O ATOM 485 CB GLN A 386 -11.807 -8.820 -0.447 1.00 0.00 C ATOM 486 CG GLN A 386 -11.486 -9.245 0.977 1.00 0.00 C ATOM 487 CD GLN A 386 -12.146 -10.556 1.356 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.909 -11.588 0.727 1.00 0.00 O ATOM 489 NE2 GLN A 386 -12.980 -10.522 2.388 1.00 0.00 N ATOM 0 H GLN A 386 -12.079 -7.856 -2.710 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.455 -6.719 -0.201 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.886 -8.705 -0.548 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.506 -9.614 -1.130 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.406 -9.340 1.089 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.811 -8.466 1.667 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.147 -9.644 2.880 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.454 -11.374 2.689 1.00 0.00 H new ATOM 498 N ASN A 387 -9.059 -8.604 -1.508 1.00 0.00 N ATOM 499 CA ASN A 387 -7.629 -8.854 -1.516 1.00 0.00 C ATOM 500 C ASN A 387 -6.862 -7.771 -2.264 1.00 0.00 C ATOM 501 O ASN A 387 -5.712 -7.978 -2.651 1.00 0.00 O ATOM 502 CB ASN A 387 -7.373 -10.196 -2.182 1.00 0.00 C ATOM 503 CG ASN A 387 -7.743 -11.370 -1.304 1.00 0.00 C ATOM 504 OD1 ASN A 387 -8.887 -11.504 -0.871 1.00 0.00 O ATOM 505 ND2 ASN A 387 -6.768 -12.229 -1.040 1.00 0.00 N ATOM 0 H ASN A 387 -9.592 -9.218 -2.124 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.279 -8.854 -0.484 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.942 -10.250 -3.110 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.319 -10.267 -2.450 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -6.951 -13.044 -0.455 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.835 -12.075 -1.422 1.00 0.00 H new ATOM 512 N GLU A 388 -7.493 -6.624 -2.478 1.00 0.00 N ATOM 513 CA GLU A 388 -6.840 -5.537 -3.197 1.00 0.00 C ATOM 514 C GLU A 388 -7.207 -4.180 -2.610 1.00 0.00 C ATOM 515 O GLU A 388 -6.630 -3.161 -2.990 1.00 0.00 O ATOM 516 CB GLU A 388 -7.205 -5.589 -4.681 1.00 0.00 C ATOM 517 CG GLU A 388 -6.950 -6.946 -5.322 1.00 0.00 C ATOM 518 CD GLU A 388 -7.164 -6.937 -6.824 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.509 -5.868 -7.369 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.987 -8.000 -7.455 1.00 0.00 O ATOM 0 H GLU A 388 -8.444 -6.423 -2.169 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.763 -5.666 -3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -8.258 -5.333 -4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.632 -4.831 -5.215 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.928 -7.258 -5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -7.611 -7.686 -4.870 1.00 0.00 H new ATOM 527 N CYS A 389 -8.151 -4.165 -1.673 1.00 0.00 N ATOM 528 CA CYS A 389 -8.554 -2.914 -1.043 1.00 0.00 C ATOM 529 C CYS A 389 -7.376 -2.376 -0.233 1.00 0.00 C ATOM 530 O CYS A 389 -7.088 -2.857 0.862 1.00 0.00 O ATOM 531 CB CYS A 389 -9.786 -3.127 -0.157 1.00 0.00 C ATOM 532 SG CYS A 389 -10.702 -1.599 0.234 1.00 0.00 S ATOM 0 H CYS A 389 -8.644 -4.992 -1.338 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.829 -2.186 -1.806 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.461 -3.824 -0.654 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.472 -3.597 0.775 1.00 0.00 H new ATOM 537 N LYS A 390 -6.672 -1.407 -0.812 1.00 0.00 N ATOM 538 CA LYS A 390 -5.484 -0.829 -0.189 1.00 0.00 C ATOM 539 C LYS A 390 -5.812 0.023 1.034 1.00 0.00 C ATOM 540 O LYS A 390 -6.952 0.447 1.230 1.00 0.00 O ATOM 541 CB LYS A 390 -4.712 -0.013 -1.219 1.00 0.00 C ATOM 542 CG LYS A 390 -4.319 -0.825 -2.445 1.00 0.00 C ATOM 543 CD LYS A 390 -3.516 0.005 -3.434 1.00 0.00 C ATOM 544 CE LYS A 390 -3.160 -0.800 -4.673 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.334 -0.015 -5.629 1.00 0.00 N ATOM 0 H LYS A 390 -6.906 -1.003 -1.719 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.867 -1.654 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.320 0.836 -1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.813 0.392 -0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.733 -1.691 -2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -5.216 -1.205 -2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -4.090 0.885 -3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.604 0.362 -2.956 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.618 -1.698 -4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -4.074 -1.127 -5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.596 -0.626 -6.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -2.939 0.349 -6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.889 0.782 -5.130 1.00 0.00 H new ATOM 559 N SER A 391 -4.791 0.248 1.863 1.00 0.00 N ATOM 560 CA SER A 391 -4.924 1.021 3.088 1.00 0.00 C ATOM 561 C SER A 391 -5.622 2.365 2.861 1.00 0.00 C ATOM 562 O SER A 391 -6.582 2.681 3.561 1.00 0.00 O ATOM 563 CB SER A 391 -3.546 1.242 3.708 1.00 0.00 C ATOM 564 OG SER A 391 -2.915 0.008 4.005 1.00 0.00 O ATOM 0 H SER A 391 -3.848 -0.104 1.698 1.00 0.00 H new ATOM 0 HA SER A 391 -5.552 0.448 3.770 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.923 1.816 3.022 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.644 1.832 4.619 1.00 0.00 H new ATOM 0 HG SER A 391 -2.034 0.178 4.399 1.00 0.00 H new ATOM 570 N PRO A 392 -5.167 3.184 1.884 1.00 0.00 N ATOM 571 CA PRO A 392 -5.787 4.482 1.606 1.00 0.00 C ATOM 572 C PRO A 392 -7.279 4.356 1.350 1.00 0.00 C ATOM 573 O PRO A 392 -8.064 5.233 1.711 1.00 0.00 O ATOM 574 CB PRO A 392 -5.074 4.948 0.331 1.00 0.00 C ATOM 575 CG PRO A 392 -4.439 3.727 -0.228 1.00 0.00 C ATOM 576 CD PRO A 392 -4.040 2.938 0.968 1.00 0.00 C ATOM 0 HA PRO A 392 -5.690 5.171 2.445 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.778 5.385 -0.377 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.330 5.713 0.553 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -5.133 3.171 -0.858 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.576 3.975 -0.846 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.924 1.879 0.738 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.093 3.279 1.385 1.00 0.00 H new ATOM 584 N CYS A 393 -7.655 3.261 0.706 1.00 0.00 N ATOM 585 CA CYS A 393 -9.047 3.001 0.371 1.00 0.00 C ATOM 586 C CYS A 393 -9.899 2.786 1.619 1.00 0.00 C ATOM 587 O CYS A 393 -9.544 3.209 2.718 1.00 0.00 O ATOM 588 CB CYS A 393 -9.129 1.768 -0.527 1.00 0.00 C ATOM 589 SG CYS A 393 -8.039 1.832 -1.984 1.00 0.00 S ATOM 0 H CYS A 393 -7.009 2.532 0.403 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.438 3.874 -0.151 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.878 0.886 0.062 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -10.159 1.645 -0.863 1.00 0.00 H new ATOM 594 N LYS A 394 -11.026 2.113 1.424 1.00 0.00 N ATOM 595 CA LYS A 394 -11.954 1.813 2.505 1.00 0.00 C ATOM 596 C LYS A 394 -12.809 0.614 2.126 1.00 0.00 C ATOM 597 O LYS A 394 -13.629 0.684 1.208 1.00 0.00 O ATOM 598 CB LYS A 394 -12.833 3.029 2.803 1.00 0.00 C ATOM 599 CG LYS A 394 -13.841 2.802 3.918 1.00 0.00 C ATOM 600 CD LYS A 394 -14.602 4.077 4.256 1.00 0.00 C ATOM 601 CE LYS A 394 -15.362 4.617 3.052 1.00 0.00 C ATOM 602 NZ LYS A 394 -16.134 5.846 3.386 1.00 0.00 N ATOM 0 H LYS A 394 -11.321 1.761 0.513 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.389 1.573 3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.194 3.870 3.070 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.367 3.310 1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.546 2.026 3.619 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.325 2.439 4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.301 3.879 5.068 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.904 4.833 4.614 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.659 4.837 2.248 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -16.042 3.851 2.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -16.637 6.181 2.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -16.823 5.631 4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -15.483 6.586 3.717 1.00 0.00 H new ATOM 616 N TRP A 395 -12.589 -0.495 2.821 1.00 0.00 N ATOM 617 CA TRP A 395 -13.311 -1.727 2.547 1.00 0.00 C ATOM 618 C TRP A 395 -14.773 -1.644 2.978 1.00 0.00 C ATOM 619 O TRP A 395 -15.096 -1.075 4.021 1.00 0.00 O ATOM 620 CB TRP A 395 -12.626 -2.906 3.243 1.00 0.00 C ATOM 621 CG TRP A 395 -13.228 -4.235 2.899 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.596 -5.216 3.773 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.525 -4.732 1.586 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.108 -6.292 3.087 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.074 -6.020 1.745 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.381 -4.217 0.293 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.481 -6.795 0.662 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.785 -4.988 -0.780 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.329 -6.264 -0.590 1.00 0.00 C ATOM 0 H TRP A 395 -11.913 -0.564 3.582 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.295 -1.880 1.468 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.570 -2.913 2.973 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.678 -2.761 4.322 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.499 -5.156 4.847 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.456 -7.153 3.509 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.961 -3.234 0.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.901 -7.779 0.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.679 -4.600 -1.782 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.635 -6.841 -1.450 1.00 0.00 H new ATOM 640 N HIS A 396 -15.646 -2.236 2.167 1.00 0.00 N ATOM 641 CA HIS A 396 -17.077 -2.260 2.451 1.00 0.00 C ATOM 642 C HIS A 396 -17.588 -3.696 2.461 1.00 0.00 C ATOM 643 O HIS A 396 -17.649 -4.351 1.416 1.00 0.00 O ATOM 644 CB HIS A 396 -17.847 -1.445 1.410 1.00 0.00 C ATOM 645 CG HIS A 396 -17.584 0.025 1.479 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.883 0.789 2.587 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.051 0.876 0.569 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.548 2.046 2.356 1.00 0.00 C ATOM 649 NE2 HIS A 396 -17.040 2.124 1.141 1.00 0.00 N ATOM 0 H HIS A 396 -15.384 -2.709 1.302 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.238 -1.816 3.433 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.586 -1.805 0.415 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.915 -1.620 1.542 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -18.298 0.439 3.450 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.701 0.621 -0.420 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.669 2.869 3.044 1.00 0.00 H new ATOM 658 N ASN A 397 -17.946 -4.176 3.650 1.00 0.00 N ATOM 659 CA ASN A 397 -18.446 -5.536 3.816 1.00 0.00 C ATOM 660 C ASN A 397 -19.944 -5.617 3.545 1.00 0.00 C ATOM 661 O ASN A 397 -20.709 -4.742 3.950 1.00 0.00 O ATOM 662 CB ASN A 397 -18.147 -6.042 5.229 1.00 0.00 C ATOM 663 CG ASN A 397 -18.800 -5.189 6.300 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.531 -3.993 6.408 1.00 0.00 O ATOM 665 ND2 ASN A 397 -19.663 -5.804 7.101 1.00 0.00 N ATOM 0 H ASN A 397 -17.898 -3.639 4.516 1.00 0.00 H new ATOM 0 HA ASN A 397 -17.935 -6.167 3.089 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.496 -7.070 5.325 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.069 -6.055 5.386 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -20.132 -5.283 7.841 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -19.856 -6.798 6.976 1.00 0.00 H new ATOM 672 N ASP A 398 -20.353 -6.684 2.862 1.00 0.00 N ATOM 673 CA ASP A 398 -21.758 -6.904 2.534 1.00 0.00 C ATOM 674 C ASP A 398 -22.339 -5.729 1.754 1.00 0.00 C ATOM 675 O ASP A 398 -23.536 -5.450 1.835 1.00 0.00 O ATOM 676 CB ASP A 398 -22.569 -7.137 3.811 1.00 0.00 C ATOM 677 CG ASP A 398 -22.094 -8.349 4.587 1.00 0.00 C ATOM 678 OD1 ASP A 398 -20.915 -8.367 4.998 1.00 0.00 O ATOM 679 OD2 ASP A 398 -22.902 -9.282 4.784 1.00 0.00 O ATOM 0 H ASP A 398 -19.726 -7.414 2.523 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.818 -7.790 1.903 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.502 -6.254 4.446 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -23.620 -7.264 3.552 1.00 0.00 H new ATOM 684 N ALA A 399 -21.491 -5.051 0.988 1.00 0.00 N ATOM 685 CA ALA A 399 -21.934 -3.918 0.186 1.00 0.00 C ATOM 686 C ALA A 399 -22.636 -4.406 -1.078 1.00 0.00 C ATOM 687 O ALA A 399 -23.253 -5.471 -1.079 1.00 0.00 O ATOM 688 CB ALA A 399 -20.750 -3.026 -0.164 1.00 0.00 C ATOM 0 H ALA A 399 -20.497 -5.266 0.906 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.646 -3.332 0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.094 -2.183 -0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.290 -2.656 0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.017 -3.600 -0.732 1.00 0.00 H new ATOM 694 N GLU A 400 -22.526 -3.636 -2.155 1.00 0.00 N ATOM 695 CA GLU A 400 -23.137 -4.010 -3.424 1.00 0.00 C ATOM 696 C GLU A 400 -22.247 -5.019 -4.145 1.00 0.00 C ATOM 697 O GLU A 400 -21.682 -4.718 -5.198 1.00 0.00 O ATOM 698 CB GLU A 400 -23.361 -2.772 -4.296 1.00 0.00 C ATOM 699 CG GLU A 400 -24.120 -3.060 -5.583 1.00 0.00 C ATOM 700 CD GLU A 400 -24.336 -1.818 -6.426 1.00 0.00 C ATOM 701 OE1 GLU A 400 -23.893 -0.728 -6.005 1.00 0.00 O ATOM 702 OE2 GLU A 400 -24.948 -1.934 -7.508 1.00 0.00 O ATOM 0 H GLU A 400 -22.020 -2.750 -2.174 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.107 -4.468 -3.230 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -23.910 -2.027 -3.720 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -22.394 -2.334 -4.545 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -23.571 -3.799 -6.166 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.086 -3.501 -5.339 1.00 0.00 H new ATOM 709 N ASN A 401 -22.097 -6.203 -3.539 1.00 0.00 N ATOM 710 CA ASN A 401 -21.249 -7.260 -4.082 1.00 0.00 C ATOM 711 C ASN A 401 -19.799 -6.928 -3.785 1.00 0.00 C ATOM 712 O ASN A 401 -18.917 -7.068 -4.635 1.00 0.00 O ATOM 713 CB ASN A 401 -21.469 -7.429 -5.586 1.00 0.00 C ATOM 714 CG ASN A 401 -22.916 -7.723 -5.917 1.00 0.00 C ATOM 715 OD1 ASN A 401 -23.388 -8.849 -5.762 1.00 0.00 O ATOM 716 ND2 ASN A 401 -23.636 -6.694 -6.340 1.00 0.00 N ATOM 0 H ASN A 401 -22.559 -6.450 -2.664 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.512 -8.206 -3.609 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.156 -6.522 -6.103 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.841 -8.239 -5.956 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -24.626 -6.817 -6.552 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -23.200 -5.779 -6.453 1.00 0.00 H new ATOM 723 N LYS A 402 -19.586 -6.464 -2.557 1.00 0.00 N ATOM 724 CA LYS A 402 -18.264 -6.067 -2.073 1.00 0.00 C ATOM 725 C LYS A 402 -17.846 -4.744 -2.703 1.00 0.00 C ATOM 726 O LYS A 402 -17.927 -4.578 -3.920 1.00 0.00 O ATOM 727 CB LYS A 402 -17.222 -7.148 -2.377 1.00 0.00 C ATOM 728 CG LYS A 402 -17.562 -8.512 -1.796 1.00 0.00 C ATOM 729 CD LYS A 402 -17.653 -8.472 -0.279 1.00 0.00 C ATOM 730 CE LYS A 402 -17.965 -9.845 0.296 1.00 0.00 C ATOM 731 NZ LYS A 402 -16.912 -10.841 -0.046 1.00 0.00 N ATOM 0 H LYS A 402 -20.327 -6.352 -1.866 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.322 -5.942 -0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.114 -7.241 -3.458 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.256 -6.828 -1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.510 -8.857 -2.208 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.803 -9.234 -2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.712 -8.109 0.134 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.427 -7.766 0.022 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.058 -9.772 1.380 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.927 -10.188 -0.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -17.018 -11.680 0.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.008 -11.119 -1.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -15.973 -10.420 0.107 1.00 0.00 H new ATOM 745 N LYS A 403 -17.419 -3.795 -1.871 1.00 0.00 N ATOM 746 CA LYS A 403 -17.018 -2.484 -2.371 1.00 0.00 C ATOM 747 C LYS A 403 -15.776 -1.943 -1.668 1.00 0.00 C ATOM 748 O LYS A 403 -15.538 -2.217 -0.494 1.00 0.00 O ATOM 749 CB LYS A 403 -18.170 -1.496 -2.211 1.00 0.00 C ATOM 750 CG LYS A 403 -19.386 -1.841 -3.052 1.00 0.00 C ATOM 751 CD LYS A 403 -19.096 -1.711 -4.541 1.00 0.00 C ATOM 752 CE LYS A 403 -18.721 -0.286 -4.918 1.00 0.00 C ATOM 753 NZ LYS A 403 -18.413 -0.157 -6.368 1.00 0.00 N ATOM 0 H LYS A 403 -17.343 -3.908 -0.860 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.767 -2.604 -3.425 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.463 -1.459 -1.162 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.823 -0.499 -2.481 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.704 -2.860 -2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -20.213 -1.183 -2.783 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -18.284 -2.385 -4.814 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -19.972 -2.020 -5.111 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -19.540 0.385 -4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -17.856 0.028 -4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -18.162 0.829 -6.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -17.615 -0.778 -6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -19.247 -0.432 -6.926 1.00 0.00 H new ATOM 767 N CYS A 404 -15.001 -1.152 -2.406 1.00 0.00 N ATOM 768 CA CYS A 404 -13.786 -0.529 -1.886 1.00 0.00 C ATOM 769 C CYS A 404 -13.625 0.854 -2.511 1.00 0.00 C ATOM 770 O CYS A 404 -13.668 0.996 -3.734 1.00 0.00 O ATOM 771 CB CYS A 404 -12.557 -1.396 -2.194 1.00 0.00 C ATOM 772 SG CYS A 404 -10.980 -0.712 -1.582 1.00 0.00 S ATOM 0 H CYS A 404 -15.197 -0.925 -3.381 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.869 -0.434 -0.803 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.705 -2.383 -1.756 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.485 -1.533 -3.273 1.00 0.00 H new ATOM 777 N THR A 405 -13.468 1.877 -1.675 1.00 0.00 N ATOM 778 CA THR A 405 -13.333 3.246 -2.170 1.00 0.00 C ATOM 779 C THR A 405 -12.270 4.028 -1.409 1.00 0.00 C ATOM 780 O THR A 405 -12.086 3.844 -0.206 1.00 0.00 O ATOM 781 CB THR A 405 -14.669 4.007 -2.078 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.116 4.050 -0.718 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.732 3.350 -2.944 1.00 0.00 C ATOM 0 H THR A 405 -13.431 1.787 -0.660 1.00 0.00 H new ATOM 0 HA THR A 405 -13.029 3.163 -3.213 1.00 0.00 H new ATOM 0 HB THR A 405 -14.506 5.022 -2.441 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.692 3.278 -0.538 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.665 3.907 -2.860 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.403 3.346 -3.983 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.891 2.325 -2.610 1.00 0.00 H new ATOM 791 N LEU A 406 -11.577 4.905 -2.128 1.00 0.00 N ATOM 792 CA LEU A 406 -10.528 5.728 -1.545 1.00 0.00 C ATOM 793 C LEU A 406 -11.106 6.721 -0.549 1.00 0.00 C ATOM 794 O LEU A 406 -12.178 7.286 -0.763 1.00 0.00 O ATOM 795 CB LEU A 406 -9.762 6.460 -2.649 1.00 0.00 C ATOM 796 CG LEU A 406 -8.473 7.165 -2.217 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.768 8.523 -1.606 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.688 6.300 -1.246 1.00 0.00 C ATOM 0 H LEU A 406 -11.727 5.063 -3.124 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.838 5.077 -1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.515 5.741 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.426 7.201 -3.095 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.864 7.324 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.834 8.999 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.277 9.149 -2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.405 8.397 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.776 6.819 -0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.295 6.103 -0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.429 5.356 -1.727 1.00 0.00 H new ATOM 810 N ASP A 407 -10.380 6.926 0.539 1.00 0.00 N ATOM 811 CA ASP A 407 -10.808 7.853 1.579 1.00 0.00 C ATOM 812 C ASP A 407 -9.820 9.007 1.713 1.00 0.00 C ATOM 813 O ASP A 407 -8.609 8.794 1.772 1.00 0.00 O ATOM 814 CB ASP A 407 -10.954 7.123 2.916 1.00 0.00 C ATOM 815 CG ASP A 407 -11.486 8.026 4.013 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.594 8.575 3.844 1.00 0.00 O ATOM 817 OD2 ASP A 407 -10.797 8.179 5.043 1.00 0.00 O ATOM 0 H ASP A 407 -9.491 6.463 0.726 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.778 8.261 1.295 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.625 6.273 2.791 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.985 6.723 3.216 1.00 0.00 H new ATOM 822 N LYS A 408 -10.347 10.225 1.753 1.00 0.00 N ATOM 823 CA LYS A 408 -9.515 11.417 1.874 1.00 0.00 C ATOM 824 C LYS A 408 -8.805 11.460 3.222 1.00 0.00 C ATOM 825 O LYS A 408 -7.607 11.734 3.297 1.00 0.00 O ATOM 826 CB LYS A 408 -10.365 12.674 1.695 1.00 0.00 C ATOM 827 CG LYS A 408 -11.075 12.741 0.353 1.00 0.00 C ATOM 828 CD LYS A 408 -11.906 14.008 0.225 1.00 0.00 C ATOM 829 CE LYS A 408 -12.617 14.072 -1.117 1.00 0.00 C ATOM 830 NZ LYS A 408 -13.516 12.904 -1.325 1.00 0.00 N ATOM 0 H LYS A 408 -11.348 10.414 1.703 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.758 11.378 1.090 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.107 12.717 2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.728 13.552 1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -10.340 12.704 -0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.719 11.869 0.237 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.640 14.046 1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -11.262 14.880 0.339 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -13.198 14.992 -1.177 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -11.878 14.109 -1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -14.141 13.087 -2.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -12.945 12.056 -1.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -14.091 12.752 -0.472 1.00 0.00 H new ATOM 844 N GLU A 409 -9.554 11.193 4.288 1.00 0.00 N ATOM 845 CA GLU A 409 -9.003 11.208 5.638 1.00 0.00 C ATOM 846 C GLU A 409 -7.907 10.158 5.803 1.00 0.00 C ATOM 847 O GLU A 409 -6.887 10.408 6.441 1.00 0.00 O ATOM 848 CB GLU A 409 -10.111 10.972 6.665 1.00 0.00 C ATOM 849 CG GLU A 409 -11.197 12.035 6.639 1.00 0.00 C ATOM 850 CD GLU A 409 -12.275 11.801 7.680 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.175 10.806 8.428 1.00 0.00 O ATOM 852 OE2 GLU A 409 -13.220 12.616 7.747 1.00 0.00 O ATOM 0 H GLU A 409 -10.547 10.963 4.242 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.560 12.190 5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.563 9.997 6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.671 10.938 7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.745 13.013 6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.653 12.058 5.649 1.00 0.00 H new ATOM 859 N GLU A 410 -8.126 8.981 5.232 1.00 0.00 N ATOM 860 CA GLU A 410 -7.155 7.897 5.326 1.00 0.00 C ATOM 861 C GLU A 410 -5.903 8.213 4.515 1.00 0.00 C ATOM 862 O GLU A 410 -4.783 8.036 4.992 1.00 0.00 O ATOM 863 CB GLU A 410 -7.776 6.586 4.841 1.00 0.00 C ATOM 864 CG GLU A 410 -6.853 5.383 4.974 1.00 0.00 C ATOM 865 CD GLU A 410 -6.516 5.055 6.416 1.00 0.00 C ATOM 866 OE1 GLU A 410 -5.895 5.903 7.091 1.00 0.00 O ATOM 867 OE2 GLU A 410 -6.877 3.949 6.873 1.00 0.00 O ATOM 0 H GLU A 410 -8.965 8.752 4.700 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.868 7.790 6.372 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.689 6.396 5.406 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.065 6.697 3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -7.324 4.517 4.510 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -5.931 5.576 4.425 1.00 0.00 H new ATOM 874 N ALA A 411 -6.100 8.672 3.284 1.00 0.00 N ATOM 875 CA ALA A 411 -4.987 9.002 2.402 1.00 0.00 C ATOM 876 C ALA A 411 -4.092 10.088 2.990 1.00 0.00 C ATOM 877 O ALA A 411 -2.867 9.969 2.964 1.00 0.00 O ATOM 878 CB ALA A 411 -5.508 9.430 1.038 1.00 0.00 C ATOM 0 H ALA A 411 -7.022 8.824 2.874 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.379 8.104 2.292 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.668 9.674 0.388 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.084 8.616 0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.146 10.307 1.151 1.00 0.00 H new ATOM 884 N LYS A 412 -4.700 11.148 3.512 1.00 0.00 N ATOM 885 CA LYS A 412 -3.935 12.246 4.093 1.00 0.00 C ATOM 886 C LYS A 412 -3.100 11.766 5.277 1.00 0.00 C ATOM 887 O LYS A 412 -1.936 12.141 5.414 1.00 0.00 O ATOM 888 CB LYS A 412 -4.861 13.387 4.522 1.00 0.00 C ATOM 889 CG LYS A 412 -5.879 12.991 5.580 1.00 0.00 C ATOM 890 CD LYS A 412 -6.710 14.181 6.035 1.00 0.00 C ATOM 891 CE LYS A 412 -5.855 15.228 6.732 1.00 0.00 C ATOM 892 NZ LYS A 412 -6.665 16.385 7.205 1.00 0.00 N ATOM 0 H LYS A 412 -5.712 11.270 3.545 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.257 12.621 3.327 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.255 14.209 4.904 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.390 13.762 3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.537 12.219 5.181 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.363 12.558 6.437 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.206 14.630 5.174 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.493 13.841 6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.344 14.773 7.580 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.084 15.581 6.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -6.044 17.075 7.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -7.133 16.836 6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -7.384 16.053 7.879 1.00 0.00 H new ATOM 906 N LYS A 413 -3.697 10.936 6.129 1.00 0.00 N ATOM 907 CA LYS A 413 -2.996 10.411 7.298 1.00 0.00 C ATOM 908 C LYS A 413 -1.812 9.539 6.885 1.00 0.00 C ATOM 909 O LYS A 413 -0.715 9.674 7.427 1.00 0.00 O ATOM 910 CB LYS A 413 -3.953 9.608 8.182 1.00 0.00 C ATOM 911 CG LYS A 413 -5.066 10.446 8.790 1.00 0.00 C ATOM 912 CD LYS A 413 -5.994 9.605 9.652 1.00 0.00 C ATOM 913 CE LYS A 413 -7.132 10.438 10.220 1.00 0.00 C ATOM 914 NZ LYS A 413 -8.063 9.621 11.048 1.00 0.00 N ATOM 0 H LYS A 413 -4.660 10.614 6.033 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.616 11.260 7.866 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -4.395 8.806 7.590 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -3.385 9.137 8.984 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -4.633 11.244 9.393 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -5.639 10.922 7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -6.401 8.786 9.059 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -5.428 9.156 10.468 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -6.722 11.246 10.826 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -7.685 10.901 9.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -8.824 10.227 11.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -8.474 8.865 10.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -7.542 9.199 11.843 1.00 0.00 H new ATOM 928 N VAL A 414 -2.039 8.646 5.925 1.00 0.00 N ATOM 929 CA VAL A 414 -0.987 7.753 5.443 1.00 0.00 C ATOM 930 C VAL A 414 0.170 8.541 4.837 1.00 0.00 C ATOM 931 O VAL A 414 1.336 8.290 5.147 1.00 0.00 O ATOM 932 CB VAL A 414 -1.527 6.760 4.395 1.00 0.00 C ATOM 933 CG1 VAL A 414 -0.408 5.880 3.860 1.00 0.00 C ATOM 934 CG2 VAL A 414 -2.641 5.910 4.988 1.00 0.00 C ATOM 0 H VAL A 414 -2.941 8.521 5.465 1.00 0.00 H new ATOM 0 HA VAL A 414 -0.627 7.194 6.307 1.00 0.00 H new ATOM 0 HB VAL A 414 -1.937 7.332 3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -0.812 5.187 3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 414 0.354 6.504 3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 414 0.037 5.317 4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -3.010 5.215 4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -2.257 5.350 5.840 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.456 6.555 5.316 1.00 0.00 H new ATOM 944 N ALA A 415 -0.159 9.496 3.973 1.00 0.00 N ATOM 945 CA ALA A 415 0.849 10.324 3.324 1.00 0.00 C ATOM 946 C ALA A 415 1.643 11.120 4.353 1.00 0.00 C ATOM 947 O ALA A 415 2.841 11.350 4.187 1.00 0.00 O ATOM 948 CB ALA A 415 0.198 11.258 2.316 1.00 0.00 C ATOM 0 H ALA A 415 -1.119 9.715 3.706 1.00 0.00 H new ATOM 0 HA ALA A 415 1.541 9.668 2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 415 0.964 11.870 1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.321 10.671 1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.516 11.904 2.827 1.00 0.00 H new ATOM 954 N ASP A 416 0.964 11.535 5.418 1.00 0.00 N ATOM 955 CA ASP A 416 1.600 12.306 6.482 1.00 0.00 C ATOM 956 C ASP A 416 2.348 11.391 7.448 1.00 0.00 C ATOM 957 O ASP A 416 2.328 11.599 8.662 1.00 0.00 O ATOM 958 CB ASP A 416 0.558 13.127 7.240 1.00 0.00 C ATOM 959 CG ASP A 416 -0.124 14.157 6.359 1.00 0.00 C ATOM 960 OD1 ASP A 416 0.214 14.230 5.159 1.00 0.00 O ATOM 961 OD2 ASP A 416 -0.997 14.889 6.870 1.00 0.00 O ATOM 0 H ASP A 416 -0.028 11.350 5.568 1.00 0.00 H new ATOM 0 HA ASP A 416 2.320 12.983 6.023 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.193 12.457 7.658 1.00 0.00 H new ATOM 0 HB3 ASP A 416 1.038 13.632 8.079 1.00 0.00 H new ATOM 966 N GLU A 417 3.004 10.380 6.896 1.00 0.00 N ATOM 967 CA GLU A 417 3.765 9.424 7.697 1.00 0.00 C ATOM 968 C GLU A 417 5.097 9.083 7.033 1.00 0.00 C ATOM 969 O GLU A 417 6.114 8.925 7.709 1.00 0.00 O ATOM 970 CB GLU A 417 2.953 8.145 7.917 1.00 0.00 C ATOM 971 CG GLU A 417 1.690 8.359 8.736 1.00 0.00 C ATOM 972 CD GLU A 417 0.895 7.083 8.926 1.00 0.00 C ATOM 973 OE1 GLU A 417 1.448 6.119 9.498 1.00 0.00 O ATOM 974 OE2 GLU A 417 -0.280 7.048 8.505 1.00 0.00 O ATOM 0 H GLU A 417 3.026 10.198 5.893 1.00 0.00 H new ATOM 0 HA GLU A 417 3.971 9.889 8.661 1.00 0.00 H new ATOM 0 HB2 GLU A 417 2.681 7.726 6.948 1.00 0.00 H new ATOM 0 HB3 GLU A 417 3.580 7.408 8.418 1.00 0.00 H new ATOM 0 HG2 GLU A 417 1.958 8.764 9.712 1.00 0.00 H new ATOM 0 HG3 GLU A 417 1.064 9.103 8.243 1.00 0.00 H new ATOM 981 N THR A 418 5.087 8.971 5.709 1.00 0.00 N ATOM 982 CA THR A 418 6.294 8.649 4.959 1.00 0.00 C ATOM 983 C THR A 418 6.218 9.202 3.537 1.00 0.00 C ATOM 984 O THR A 418 6.634 8.550 2.578 1.00 0.00 O ATOM 985 CB THR A 418 6.525 7.128 4.910 1.00 0.00 C ATOM 986 OG1 THR A 418 7.687 6.824 4.129 1.00 0.00 O ATOM 987 CG2 THR A 418 5.312 6.432 4.326 1.00 0.00 C ATOM 0 H THR A 418 4.255 9.099 5.133 1.00 0.00 H new ATOM 0 HA THR A 418 7.133 9.116 5.475 1.00 0.00 H new ATOM 0 HB THR A 418 6.683 6.769 5.927 1.00 0.00 H new ATOM 0 HG1 THR A 418 7.573 7.177 3.222 1.00 0.00 H new ATOM 0 HG21 THR A 418 5.488 5.357 4.297 1.00 0.00 H new ATOM 0 HG22 THR A 418 4.440 6.640 4.946 1.00 0.00 H new ATOM 0 HG23 THR A 418 5.134 6.798 3.315 1.00 0.00 H new ATOM 995 N ALA A 419 5.688 10.416 3.417 1.00 0.00 N ATOM 996 CA ALA A 419 5.552 11.079 2.124 1.00 0.00 C ATOM 997 C ALA A 419 5.021 12.497 2.296 1.00 0.00 C ATOM 998 O ALA A 419 4.190 12.961 1.515 1.00 0.00 O ATOM 999 CB ALA A 419 4.634 10.278 1.211 1.00 0.00 C ATOM 0 H ALA A 419 5.344 10.964 4.206 1.00 0.00 H new ATOM 0 HA ALA A 419 6.539 11.136 1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 419 4.543 10.786 0.251 1.00 0.00 H new ATOM 0 HB2 ALA A 419 5.052 9.283 1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 419 3.649 10.191 1.670 1.00 0.00 H new ATOM 1005 N LYS A 420 5.507 13.179 3.330 1.00 0.00 N ATOM 1006 CA LYS A 420 5.086 14.547 3.615 1.00 0.00 C ATOM 1007 C LYS A 420 5.809 15.549 2.719 1.00 0.00 C ATOM 1008 O LYS A 420 6.220 16.617 3.171 1.00 0.00 O ATOM 1009 CB LYS A 420 5.339 14.879 5.089 1.00 0.00 C ATOM 1010 CG LYS A 420 6.783 14.681 5.523 1.00 0.00 C ATOM 1011 CD LYS A 420 6.973 15.026 6.991 1.00 0.00 C ATOM 1012 CE LYS A 420 8.395 14.745 7.452 1.00 0.00 C ATOM 1013 NZ LYS A 420 9.396 15.535 6.683 1.00 0.00 N ATOM 0 H LYS A 420 6.194 12.805 3.985 1.00 0.00 H new ATOM 0 HA LYS A 420 4.018 14.621 3.408 1.00 0.00 H new ATOM 0 HB2 LYS A 420 5.053 15.915 5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 420 4.694 14.255 5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 420 7.078 13.646 5.350 1.00 0.00 H new ATOM 0 HG3 LYS A 420 7.437 15.305 4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 420 6.739 16.078 7.151 1.00 0.00 H new ATOM 0 HD3 LYS A 420 6.273 14.448 7.595 1.00 0.00 H new ATOM 0 HE2 LYS A 420 8.485 14.979 8.513 1.00 0.00 H new ATOM 0 HE3 LYS A 420 8.609 13.682 7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 10.329 15.446 7.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 9.447 15.176 5.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 9.112 16.535 6.669 1.00 0.00 H new ATOM 1027 N ASP A 421 5.955 15.201 1.444 1.00 0.00 N ATOM 1028 CA ASP A 421 6.621 16.075 0.486 1.00 0.00 C ATOM 1029 C ASP A 421 5.791 17.327 0.228 1.00 0.00 C ATOM 1030 O ASP A 421 4.585 17.247 -0.006 1.00 0.00 O ATOM 1031 CB ASP A 421 6.869 15.333 -0.829 1.00 0.00 C ATOM 1032 CG ASP A 421 7.745 14.108 -0.646 1.00 0.00 C ATOM 1033 OD1 ASP A 421 8.898 14.266 -0.193 1.00 0.00 O ATOM 1034 OD2 ASP A 421 7.277 12.993 -0.956 1.00 0.00 O ATOM 0 H ASP A 421 5.621 14.321 1.051 1.00 0.00 H new ATOM 0 HA ASP A 421 7.579 16.375 0.910 1.00 0.00 H new ATOM 0 HB2 ASP A 421 5.914 15.032 -1.259 1.00 0.00 H new ATOM 0 HB3 ASP A 421 7.340 16.010 -1.542 1.00 0.00 H new ATOM 1039 N GLY A 422 6.445 18.484 0.268 1.00 0.00 N ATOM 1040 CA GLY A 422 5.749 19.735 0.035 1.00 0.00 C ATOM 1041 C GLY A 422 6.660 20.939 0.162 1.00 0.00 C ATOM 1042 O GLY A 422 6.281 21.953 0.748 1.00 0.00 O ATOM 0 H GLY A 422 7.443 18.577 0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 422 5.308 19.721 -0.962 1.00 0.00 H new ATOM 0 HA3 GLY A 422 4.928 19.828 0.746 1.00 0.00 H new ATOM 1046 N LYS A 423 7.864 20.827 -0.389 1.00 0.00 N ATOM 1047 CA LYS A 423 8.832 21.915 -0.336 1.00 0.00 C ATOM 1048 C LYS A 423 8.320 23.127 -1.107 1.00 0.00 C ATOM 1049 O LYS A 423 8.430 24.263 -0.645 1.00 0.00 O ATOM 1050 CB LYS A 423 10.177 21.459 -0.910 1.00 0.00 C ATOM 1051 CG LYS A 423 11.287 22.488 -0.764 1.00 0.00 C ATOM 1052 CD LYS A 423 11.603 22.764 0.699 1.00 0.00 C ATOM 1053 CE LYS A 423 12.720 23.784 0.844 1.00 0.00 C ATOM 1054 NZ LYS A 423 13.056 24.038 2.272 1.00 0.00 N ATOM 0 H LYS A 423 8.192 19.994 -0.877 1.00 0.00 H new ATOM 0 HA LYS A 423 8.971 22.199 0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 423 10.480 20.538 -0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 423 10.049 21.223 -1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 423 12.184 22.131 -1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 423 10.992 23.415 -1.255 1.00 0.00 H new ATOM 0 HD2 LYS A 423 10.708 23.129 1.203 1.00 0.00 H new ATOM 0 HD3 LYS A 423 11.891 21.835 1.192 1.00 0.00 H new ATOM 0 HE2 LYS A 423 13.607 23.428 0.320 1.00 0.00 H new ATOM 0 HE3 LYS A 423 12.422 24.719 0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 13.822 24.739 2.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 12.217 24.401 2.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 13.365 23.151 2.719 1.00 0.00 H new ATOM 1068 N THR A 424 7.759 22.874 -2.286 1.00 0.00 N ATOM 1069 CA THR A 424 7.224 23.938 -3.127 1.00 0.00 C ATOM 1070 C THR A 424 6.067 24.653 -2.436 1.00 0.00 C ATOM 1071 O THR A 424 5.181 24.017 -1.865 1.00 0.00 O ATOM 1072 CB THR A 424 6.746 23.392 -4.488 1.00 0.00 C ATOM 1073 OG1 THR A 424 6.178 24.449 -5.270 1.00 0.00 O ATOM 1074 CG2 THR A 424 5.718 22.284 -4.301 1.00 0.00 C ATOM 0 H THR A 424 7.663 21.938 -2.681 1.00 0.00 H new ATOM 0 HA THR A 424 8.033 24.648 -3.297 1.00 0.00 H new ATOM 0 HB THR A 424 7.610 22.979 -5.009 1.00 0.00 H new ATOM 0 HG1 THR A 424 5.879 24.093 -6.133 1.00 0.00 H new ATOM 0 HG21 THR A 424 5.398 21.917 -5.276 1.00 0.00 H new ATOM 0 HG22 THR A 424 6.163 21.467 -3.734 1.00 0.00 H new ATOM 0 HG23 THR A 424 4.857 22.675 -3.759 1.00 0.00 H new ATOM 1082 N GLY A 425 6.083 25.982 -2.490 1.00 0.00 N ATOM 1083 CA GLY A 425 5.033 26.763 -1.865 1.00 0.00 C ATOM 1084 C GLY A 425 5.301 28.253 -1.937 1.00 0.00 C ATOM 1085 O GLY A 425 4.416 29.034 -2.290 1.00 0.00 O ATOM 0 H GLY A 425 6.805 26.531 -2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 425 4.082 26.544 -2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 425 4.934 26.464 -0.821 1.00 0.00 H new ATOM 1089 N ASN A 426 6.527 28.646 -1.603 1.00 0.00 N ATOM 1090 CA ASN A 426 6.917 30.050 -1.631 1.00 0.00 C ATOM 1091 C ASN A 426 8.418 30.195 -1.399 1.00 0.00 C ATOM 1092 O ASN A 426 8.981 29.562 -0.505 1.00 0.00 O ATOM 1093 CB ASN A 426 6.144 30.838 -0.569 1.00 0.00 C ATOM 1094 CG ASN A 426 6.441 32.325 -0.614 1.00 0.00 C ATOM 1095 OD1 ASN A 426 7.582 32.749 -0.437 1.00 0.00 O ATOM 1096 ND2 ASN A 426 5.409 33.126 -0.851 1.00 0.00 N ATOM 0 H ASN A 426 7.268 28.009 -1.309 1.00 0.00 H new ATOM 0 HA ASN A 426 6.676 30.453 -2.615 1.00 0.00 H new ATOM 0 HB2 ASN A 426 5.075 30.680 -0.712 1.00 0.00 H new ATOM 0 HB3 ASN A 426 6.394 30.451 0.419 1.00 0.00 H new ATOM 0 HD21 ASN A 426 5.546 34.136 -0.892 1.00 0.00 H new ATOM 0 HD22 ASN A 426 4.479 32.731 -0.992 1.00 0.00 H new ATOM 1103 N THR A 427 9.062 31.029 -2.209 1.00 0.00 N ATOM 1104 CA THR A 427 10.499 31.250 -2.087 1.00 0.00 C ATOM 1105 C THR A 427 10.841 31.905 -0.754 1.00 0.00 C ATOM 1106 O THR A 427 11.612 31.355 0.035 1.00 0.00 O ATOM 1107 CB THR A 427 11.031 32.132 -3.232 1.00 0.00 C ATOM 1108 OG1 THR A 427 10.374 33.406 -3.219 1.00 0.00 O ATOM 1109 CG2 THR A 427 10.814 31.459 -4.579 1.00 0.00 C ATOM 0 H THR A 427 8.614 31.561 -2.955 1.00 0.00 H new ATOM 0 HA THR A 427 10.976 30.272 -2.142 1.00 0.00 H new ATOM 0 HB THR A 427 12.101 32.275 -3.082 1.00 0.00 H new ATOM 0 HG1 THR A 427 10.913 34.047 -2.710 1.00 0.00 H new ATOM 0 HG21 THR A 427 11.198 32.101 -5.372 1.00 0.00 H new ATOM 0 HG22 THR A 427 11.340 30.505 -4.598 1.00 0.00 H new ATOM 0 HG23 THR A 427 9.748 31.289 -4.733 1.00 0.00 H new ATOM 1117 N ASN A 428 10.254 33.075 -0.505 1.00 0.00 N ATOM 1118 CA ASN A 428 10.482 33.809 0.736 1.00 0.00 C ATOM 1119 C ASN A 428 9.732 35.136 0.702 1.00 0.00 C ATOM 1120 O ASN A 428 8.668 35.232 0.093 1.00 0.00 O ATOM 1121 CB ASN A 428 11.981 34.052 0.957 1.00 0.00 C ATOM 1122 CG ASN A 428 12.638 34.836 -0.170 1.00 0.00 C ATOM 1123 OD1 ASN A 428 11.876 35.155 -1.212 1.00 0.00 O flip ATOM 1124 ND2 ASN A 428 13.827 35.147 -0.104 1.00 0.00 N flip ATOM 0 H ASN A 428 9.614 33.536 -1.151 1.00 0.00 H new ATOM 0 HA ASN A 428 10.107 33.210 1.566 1.00 0.00 H new ATOM 0 HB2 ASN A 428 12.120 34.591 1.894 1.00 0.00 H new ATOM 0 HB3 ASN A 428 12.485 33.092 1.064 1.00 0.00 H new ATOM 0 HD21 ASN A 428 14.378 34.884 0.713 1.00 0.00 H new ATOM 0 HD22 ASN A 428 14.261 35.668 -0.866 1.00 0.00 H new ATOM 1131 N THR A 429 10.290 36.162 1.340 1.00 0.00 N ATOM 1132 CA THR A 429 9.648 37.466 1.341 1.00 0.00 C ATOM 1133 C THR A 429 9.771 38.115 -0.033 1.00 0.00 C ATOM 1134 O THR A 429 10.852 38.539 -0.438 1.00 0.00 O ATOM 1135 CB THR A 429 10.251 38.398 2.412 1.00 0.00 C ATOM 1136 OG1 THR A 429 9.700 39.715 2.285 1.00 0.00 O ATOM 1137 CG2 THR A 429 11.768 38.462 2.297 1.00 0.00 C ATOM 0 H THR A 429 11.170 36.115 1.853 1.00 0.00 H new ATOM 0 HA THR A 429 8.596 37.313 1.580 1.00 0.00 H new ATOM 0 HB THR A 429 9.999 37.991 3.391 1.00 0.00 H new ATOM 0 HG1 THR A 429 10.087 40.299 2.970 1.00 0.00 H new ATOM 0 HG21 THR A 429 12.163 39.127 3.065 1.00 0.00 H new ATOM 0 HG22 THR A 429 12.185 37.464 2.431 1.00 0.00 H new ATOM 0 HG23 THR A 429 12.043 38.841 1.313 1.00 0.00 H new ATOM 1145 N THR A 430 8.646 38.186 -0.738 1.00 0.00 N ATOM 1146 CA THR A 430 8.589 38.775 -2.073 1.00 0.00 C ATOM 1147 C THR A 430 7.149 38.804 -2.570 1.00 0.00 C ATOM 1148 O THR A 430 6.609 39.865 -2.882 1.00 0.00 O ATOM 1149 CB THR A 430 9.439 37.985 -3.095 1.00 0.00 C ATOM 1150 OG1 THR A 430 10.829 38.051 -2.757 1.00 0.00 O ATOM 1151 CG2 THR A 430 9.238 38.525 -4.504 1.00 0.00 C ATOM 0 H THR A 430 7.749 37.837 -0.401 1.00 0.00 H new ATOM 0 HA THR A 430 8.991 39.785 -1.991 1.00 0.00 H new ATOM 0 HB THR A 430 9.110 36.946 -3.062 1.00 0.00 H new ATOM 0 HG1 THR A 430 10.954 38.668 -2.006 1.00 0.00 H new ATOM 0 HG21 THR A 430 9.847 37.952 -5.203 1.00 0.00 H new ATOM 0 HG22 THR A 430 8.187 38.437 -4.781 1.00 0.00 H new ATOM 0 HG23 THR A 430 9.536 39.573 -4.538 1.00 0.00 H new ATOM 1159 N GLY A 431 6.530 37.625 -2.633 1.00 0.00 N ATOM 1160 CA GLY A 431 5.153 37.541 -3.087 1.00 0.00 C ATOM 1161 C GLY A 431 4.769 36.148 -3.550 1.00 0.00 C ATOM 1162 O GLY A 431 5.180 35.152 -2.954 1.00 0.00 O ATOM 0 H GLY A 431 6.955 36.733 -2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 431 4.489 37.845 -2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 431 5.002 38.245 -3.905 1.00 0.00 H new ATOM 1166 N SER A 432 3.979 36.085 -4.618 1.00 0.00 N ATOM 1167 CA SER A 432 3.533 34.810 -5.170 1.00 0.00 C ATOM 1168 C SER A 432 4.687 34.068 -5.838 1.00 0.00 C ATOM 1169 O SER A 432 5.482 34.665 -6.565 1.00 0.00 O ATOM 1170 CB SER A 432 2.409 35.037 -6.183 1.00 0.00 C ATOM 1171 OG SER A 432 2.842 35.869 -7.246 1.00 0.00 O ATOM 0 H SER A 432 3.634 36.904 -5.119 1.00 0.00 H new ATOM 0 HA SER A 432 3.160 34.199 -4.348 1.00 0.00 H new ATOM 0 HB2 SER A 432 2.074 34.079 -6.580 1.00 0.00 H new ATOM 0 HB3 SER A 432 1.553 35.493 -5.685 1.00 0.00 H new ATOM 0 HG SER A 432 2.107 35.998 -7.881 1.00 0.00 H new ATOM 1177 N SER A 433 4.769 32.764 -5.589 1.00 0.00 N ATOM 1178 CA SER A 433 5.823 31.936 -6.169 1.00 0.00 C ATOM 1179 C SER A 433 5.602 30.463 -5.836 1.00 0.00 C ATOM 1180 O SER A 433 5.397 30.151 -4.644 1.00 0.00 O ATOM 1181 CB SER A 433 7.195 32.383 -5.659 1.00 0.00 C ATOM 1182 OG SER A 433 7.275 32.277 -4.249 1.00 0.00 O ATOM 1183 OXT SER A 433 5.636 29.636 -6.770 1.00 0.00 O ATOM 0 H SER A 433 4.118 32.257 -4.989 1.00 0.00 H new ATOM 0 HA SER A 433 5.789 32.057 -7.252 1.00 0.00 H new ATOM 0 HB2 SER A 433 7.973 31.773 -6.117 1.00 0.00 H new ATOM 0 HB3 SER A 433 7.380 33.414 -5.960 1.00 0.00 H new ATOM 0 HG SER A 433 7.759 33.050 -3.890 1.00 0.00 H new TER 1189 SER A 433