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 429 THR OG1 : rot 29:sc= 0.24 USER MOD Set 1.2: A 433 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 396 HIS : no HE2:sc= -2.14! C(o=-1.4!,f=-4.7!) USER MOD Set 2.2: A 405 THR OG1 : rot -84:sc= 0.752 USER MOD Set 3.1: A 377 THR OG1 : rot 180:sc= 0.439 USER MOD Set 3.2: A 380 SER OG : rot 80:sc= 0.473 USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 HIS : no HE2:sc= -0.393 K(o=-0.39,f=-4!) USER MOD Single : A 357 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 362 THR OG1 : rot 33:sc= 0.0662 USER MOD Single : A 363 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 364 LYS NZ :NH3+ 169:sc=-0.00667 (180deg=-0.169) USER MOD Single : A 365 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 366 LYS NZ :NH3+ -163:sc= -0.0319 (180deg=-0.358) USER MOD Single : A 370 SER OG : rot 180:sc= 0 USER MOD Single : A 371 GLN :FLIP amide:sc= 1.02 F(o=-1.2!,f=1) USER MOD Single : A 372 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 373 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.11) USER MOD Single : A 382 ASN :FLIP amide:sc= -2.62! C(o=-6.8!,f=-2.6!) USER MOD Single : A 383 LYS NZ :NH3+ 175:sc= 0.592 (180deg=0.57) USER MOD Single : A 384 LYS NZ :NH3+ -127:sc= -0.0288 (180deg=-2.08!) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 390 LYS NZ :NH3+ 166:sc= -0.0495 (180deg=-0.237) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -139:sc= -2.5! (180deg=-5.28!) USER MOD Single : A 397 ASN : amide:sc= -0.465 X(o=-0.47,f=-0.79!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.559 F(o=-4.7!,f=-0.56) USER MOD Single : A 402 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 403 LYS NZ :NH3+ -140:sc= -3.37! (180deg=-6.32!) USER MOD Single : A 408 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.171) USER MOD Single : A 412 LYS NZ :NH3+ 138:sc= -0.156 (180deg=-0.484) USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 THR OG1 : rot 8:sc= 0.698 USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 423 LYS NZ :NH3+ 165:sc= -0.0529 (180deg=-0.307) USER MOD Single : A 424 THR OG1 : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc= -0.641 K(o=-0.64,f=-4.1!) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN :FLIP amide:sc= -0.188 F(o=-0.77,f=-0.19) USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 SER OG : rot 38:sc= 0.603 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 18.262 2.100 -22.548 1.00 0.00 N ATOM 2 CA GLY A 354 17.759 1.948 -21.155 1.00 0.00 C ATOM 3 C GLY A 354 16.821 0.765 -21.000 1.00 0.00 C ATOM 4 O GLY A 354 16.927 0.004 -20.039 1.00 0.00 O ATOM 0 HA2 GLY A 354 18.605 1.828 -20.478 1.00 0.00 H new ATOM 0 HA3 GLY A 354 17.240 2.860 -20.858 1.00 0.00 H new ATOM 10 N SER A 355 15.901 0.615 -21.950 1.00 0.00 N ATOM 11 CA SER A 355 14.934 -0.479 -21.922 1.00 0.00 C ATOM 12 C SER A 355 14.114 -0.448 -20.633 1.00 0.00 C ATOM 13 O SER A 355 13.797 0.624 -20.119 1.00 0.00 O ATOM 14 CB SER A 355 15.654 -1.824 -22.064 1.00 0.00 C ATOM 15 OG SER A 355 16.386 -1.886 -23.276 1.00 0.00 O ATOM 0 H SER A 355 15.805 1.239 -22.751 1.00 0.00 H new ATOM 0 HA SER A 355 14.251 -0.355 -22.762 1.00 0.00 H new ATOM 0 HB2 SER A 355 16.329 -1.970 -21.220 1.00 0.00 H new ATOM 0 HB3 SER A 355 14.926 -2.635 -22.033 1.00 0.00 H new ATOM 0 HG SER A 355 16.837 -2.753 -23.342 1.00 0.00 H new ATOM 21 N HIS A 356 13.775 -1.626 -20.113 1.00 0.00 N ATOM 22 CA HIS A 356 12.995 -1.722 -18.884 1.00 0.00 C ATOM 23 C HIS A 356 13.806 -1.208 -17.696 1.00 0.00 C ATOM 24 O HIS A 356 14.973 -1.562 -17.530 1.00 0.00 O ATOM 25 CB HIS A 356 12.559 -3.170 -18.647 1.00 0.00 C ATOM 26 CG HIS A 356 11.657 -3.346 -17.464 1.00 0.00 C ATOM 27 ND1 HIS A 356 12.055 -3.103 -16.167 1.00 0.00 N ATOM 28 CD2 HIS A 356 10.363 -3.738 -17.390 1.00 0.00 C ATOM 29 CE1 HIS A 356 11.046 -3.341 -15.347 1.00 0.00 C ATOM 30 NE2 HIS A 356 10.007 -3.727 -16.064 1.00 0.00 N ATOM 0 H HIS A 356 14.028 -2.525 -20.524 1.00 0.00 H new ATOM 0 HA HIS A 356 12.104 -1.102 -18.987 1.00 0.00 H new ATOM 0 HB2 HIS A 356 12.049 -3.536 -19.538 1.00 0.00 H new ATOM 0 HB3 HIS A 356 13.446 -3.789 -18.511 1.00 0.00 H new ATOM 0 HD1 HIS A 356 12.983 -2.789 -15.884 1.00 0.00 H new ATOM 0 HD2 HIS A 356 9.728 -4.009 -18.221 1.00 0.00 H new ATOM 0 HE1 HIS A 356 11.068 -3.237 -14.272 1.00 0.00 H new ATOM 39 N MET A 357 13.184 -0.363 -16.880 1.00 0.00 N ATOM 40 CA MET A 357 13.852 0.209 -15.714 1.00 0.00 C ATOM 41 C MET A 357 14.294 -0.882 -14.742 1.00 0.00 C ATOM 42 O MET A 357 13.486 -1.695 -14.296 1.00 0.00 O ATOM 43 CB MET A 357 12.923 1.193 -15.001 1.00 0.00 C ATOM 44 CG MET A 357 12.463 2.345 -15.879 1.00 0.00 C ATOM 45 SD MET A 357 11.339 3.464 -15.022 1.00 0.00 S ATOM 46 CE MET A 357 11.004 4.662 -16.312 1.00 0.00 C ATOM 0 H MET A 357 12.218 -0.059 -17.004 1.00 0.00 H new ATOM 0 HA MET A 357 14.739 0.739 -16.062 1.00 0.00 H new ATOM 0 HB2 MET A 357 12.048 0.654 -14.636 1.00 0.00 H new ATOM 0 HB3 MET A 357 13.436 1.596 -14.128 1.00 0.00 H new ATOM 0 HG2 MET A 357 13.333 2.904 -16.224 1.00 0.00 H new ATOM 0 HG3 MET A 357 11.968 1.947 -16.765 1.00 0.00 H new ATOM 0 HE1 MET A 357 10.321 5.422 -15.934 1.00 0.00 H new ATOM 0 HE2 MET A 357 11.937 5.134 -16.621 1.00 0.00 H new ATOM 0 HE3 MET A 357 10.551 4.159 -17.166 1.00 0.00 H new ATOM 56 N LEU A 358 15.583 -0.884 -14.413 1.00 0.00 N ATOM 57 CA LEU A 358 16.135 -1.869 -13.489 1.00 0.00 C ATOM 58 C LEU A 358 15.656 -1.618 -12.061 1.00 0.00 C ATOM 59 O LEU A 358 15.483 -0.473 -11.643 1.00 0.00 O ATOM 60 CB LEU A 358 17.669 -1.870 -13.561 1.00 0.00 C ATOM 61 CG LEU A 358 18.348 -0.495 -13.494 1.00 0.00 C ATOM 62 CD1 LEU A 358 18.273 0.089 -12.092 1.00 0.00 C ATOM 63 CD2 LEU A 358 19.795 -0.599 -13.950 1.00 0.00 C ATOM 0 H LEU A 358 16.264 -0.215 -14.772 1.00 0.00 H new ATOM 0 HA LEU A 358 15.775 -2.853 -13.788 1.00 0.00 H new ATOM 0 HB2 LEU A 358 18.051 -2.482 -12.743 1.00 0.00 H new ATOM 0 HB3 LEU A 358 17.969 -2.356 -14.489 1.00 0.00 H new ATOM 0 HG LEU A 358 17.814 0.178 -14.165 1.00 0.00 H new ATOM 0 HD11 LEU A 358 18.762 1.063 -12.077 1.00 0.00 H new ATOM 0 HD12 LEU A 358 17.229 0.203 -11.801 1.00 0.00 H new ATOM 0 HD13 LEU A 358 18.774 -0.580 -11.392 1.00 0.00 H new ATOM 0 HD21 LEU A 358 20.265 0.383 -13.897 1.00 0.00 H new ATOM 0 HD22 LEU A 358 20.332 -1.293 -13.303 1.00 0.00 H new ATOM 0 HD23 LEU A 358 19.828 -0.962 -14.977 1.00 0.00 H new ATOM 75 N GLU A 359 15.436 -2.702 -11.320 1.00 0.00 N ATOM 76 CA GLU A 359 14.972 -2.607 -9.939 1.00 0.00 C ATOM 77 C GLU A 359 14.947 -3.983 -9.277 1.00 0.00 C ATOM 78 O GLU A 359 14.443 -4.950 -9.849 1.00 0.00 O ATOM 79 CB GLU A 359 13.579 -1.971 -9.887 1.00 0.00 C ATOM 80 CG GLU A 359 12.538 -2.713 -10.711 1.00 0.00 C ATOM 81 CD GLU A 359 11.189 -2.020 -10.711 1.00 0.00 C ATOM 82 OE1 GLU A 359 11.073 -0.942 -10.089 1.00 0.00 O ATOM 83 OE2 GLU A 359 10.249 -2.553 -11.336 1.00 0.00 O ATOM 0 H GLU A 359 15.572 -3.656 -11.654 1.00 0.00 H new ATOM 0 HA GLU A 359 15.670 -1.975 -9.390 1.00 0.00 H new ATOM 0 HB2 GLU A 359 13.247 -1.929 -8.850 1.00 0.00 H new ATOM 0 HB3 GLU A 359 13.645 -0.943 -10.242 1.00 0.00 H new ATOM 0 HG2 GLU A 359 12.893 -2.808 -11.737 1.00 0.00 H new ATOM 0 HG3 GLU A 359 12.423 -3.723 -10.319 1.00 0.00 H new ATOM 90 N VAL A 360 15.498 -4.062 -8.070 1.00 0.00 N ATOM 91 CA VAL A 360 15.545 -5.316 -7.326 1.00 0.00 C ATOM 92 C VAL A 360 14.149 -5.761 -6.904 1.00 0.00 C ATOM 93 O VAL A 360 13.326 -4.945 -6.486 1.00 0.00 O ATOM 94 CB VAL A 360 16.437 -5.193 -6.075 1.00 0.00 C ATOM 95 CG1 VAL A 360 16.531 -6.525 -5.347 1.00 0.00 C ATOM 96 CG2 VAL A 360 17.821 -4.686 -6.456 1.00 0.00 C ATOM 0 H VAL A 360 15.919 -3.270 -7.585 1.00 0.00 H new ATOM 0 HA VAL A 360 15.971 -6.064 -7.994 1.00 0.00 H new ATOM 0 HB VAL A 360 15.982 -4.470 -5.398 1.00 0.00 H new ATOM 0 HG11 VAL A 360 17.165 -6.415 -4.467 1.00 0.00 H new ATOM 0 HG12 VAL A 360 15.535 -6.842 -5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 360 16.960 -7.274 -6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 360 18.438 -4.605 -5.561 1.00 0.00 H new ATOM 0 HG22 VAL A 360 18.284 -5.383 -7.154 1.00 0.00 H new ATOM 0 HG23 VAL A 360 17.733 -3.706 -6.926 1.00 0.00 H new ATOM 106 N LEU A 361 13.889 -7.062 -7.012 1.00 0.00 N ATOM 107 CA LEU A 361 12.592 -7.619 -6.641 1.00 0.00 C ATOM 108 C LEU A 361 12.629 -9.145 -6.658 1.00 0.00 C ATOM 109 O LEU A 361 13.064 -9.754 -7.636 1.00 0.00 O ATOM 110 CB LEU A 361 11.505 -7.116 -7.595 1.00 0.00 C ATOM 111 CG LEU A 361 10.093 -7.635 -7.309 1.00 0.00 C ATOM 112 CD1 LEU A 361 9.623 -7.183 -5.933 1.00 0.00 C ATOM 113 CD2 LEU A 361 9.126 -7.163 -8.384 1.00 0.00 C ATOM 0 H LEU A 361 14.560 -7.750 -7.354 1.00 0.00 H new ATOM 0 HA LEU A 361 12.361 -7.289 -5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 361 11.488 -6.027 -7.559 1.00 0.00 H new ATOM 0 HB3 LEU A 361 11.779 -7.397 -8.612 1.00 0.00 H new ATOM 0 HG LEU A 361 10.119 -8.725 -7.321 1.00 0.00 H new ATOM 0 HD11 LEU A 361 8.618 -7.562 -5.749 1.00 0.00 H new ATOM 0 HD12 LEU A 361 10.301 -7.569 -5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 361 9.613 -6.094 -5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 361 8.127 -7.540 -8.166 1.00 0.00 H new ATOM 0 HD22 LEU A 361 9.106 -6.073 -8.403 1.00 0.00 H new ATOM 0 HD23 LEU A 361 9.451 -7.536 -9.355 1.00 0.00 H new ATOM 125 N THR A 362 12.163 -9.756 -5.570 1.00 0.00 N ATOM 126 CA THR A 362 12.135 -11.212 -5.452 1.00 0.00 C ATOM 127 C THR A 362 10.993 -11.664 -4.546 1.00 0.00 C ATOM 128 O THR A 362 10.834 -11.163 -3.433 1.00 0.00 O ATOM 129 CB THR A 362 13.459 -11.767 -4.887 1.00 0.00 C ATOM 130 OG1 THR A 362 13.752 -11.151 -3.626 1.00 0.00 O ATOM 131 CG2 THR A 362 14.613 -11.531 -5.851 1.00 0.00 C ATOM 0 H THR A 362 11.799 -9.263 -4.755 1.00 0.00 H new ATOM 0 HA THR A 362 11.987 -11.602 -6.459 1.00 0.00 H new ATOM 0 HB THR A 362 13.340 -12.842 -4.750 1.00 0.00 H new ATOM 0 HG1 THR A 362 12.915 -10.953 -3.156 1.00 0.00 H new ATOM 0 HG21 THR A 362 15.532 -11.933 -5.424 1.00 0.00 H new ATOM 0 HG22 THR A 362 14.404 -12.029 -6.798 1.00 0.00 H new ATOM 0 HG23 THR A 362 14.731 -10.461 -6.023 1.00 0.00 H new ATOM 139 N GLN A 363 10.200 -12.615 -5.032 1.00 0.00 N ATOM 140 CA GLN A 363 9.070 -13.137 -4.272 1.00 0.00 C ATOM 141 C GLN A 363 9.529 -14.128 -3.205 1.00 0.00 C ATOM 142 O GLN A 363 10.303 -15.045 -3.484 1.00 0.00 O ATOM 143 CB GLN A 363 8.066 -13.808 -5.212 1.00 0.00 C ATOM 144 CG GLN A 363 8.667 -14.926 -6.048 1.00 0.00 C ATOM 145 CD GLN A 363 7.649 -15.585 -6.959 1.00 0.00 C ATOM 146 OE1 GLN A 363 7.049 -14.933 -7.814 1.00 0.00 O ATOM 147 NE2 GLN A 363 7.451 -16.886 -6.780 1.00 0.00 N ATOM 0 H GLN A 363 10.320 -13.040 -5.951 1.00 0.00 H new ATOM 0 HA GLN A 363 8.588 -12.298 -3.770 1.00 0.00 H new ATOM 0 HB2 GLN A 363 7.242 -14.210 -4.623 1.00 0.00 H new ATOM 0 HB3 GLN A 363 7.645 -13.055 -5.877 1.00 0.00 H new ATOM 0 HG2 GLN A 363 9.483 -14.526 -6.650 1.00 0.00 H new ATOM 0 HG3 GLN A 363 9.098 -15.678 -5.387 1.00 0.00 H new ATOM 0 HE21 GLN A 363 7.971 -17.387 -6.059 1.00 0.00 H new ATOM 0 HE22 GLN A 363 6.779 -17.385 -7.364 1.00 0.00 H new ATOM 156 N LYS A 364 9.040 -13.939 -1.982 1.00 0.00 N ATOM 157 CA LYS A 364 9.389 -14.816 -0.869 1.00 0.00 C ATOM 158 C LYS A 364 8.341 -14.731 0.237 1.00 0.00 C ATOM 159 O LYS A 364 7.974 -13.637 0.668 1.00 0.00 O ATOM 160 CB LYS A 364 10.772 -14.455 -0.321 1.00 0.00 C ATOM 161 CG LYS A 364 10.909 -12.995 0.079 1.00 0.00 C ATOM 162 CD LYS A 364 12.304 -12.690 0.602 1.00 0.00 C ATOM 163 CE LYS A 364 12.465 -11.216 0.937 1.00 0.00 C ATOM 164 NZ LYS A 364 11.507 -10.775 1.988 1.00 0.00 N ATOM 0 H LYS A 364 8.399 -13.184 -1.737 1.00 0.00 H new ATOM 0 HA LYS A 364 9.415 -15.842 -1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 364 10.985 -15.081 0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 364 11.524 -14.688 -1.075 1.00 0.00 H new ATOM 0 HG2 LYS A 364 10.694 -12.359 -0.780 1.00 0.00 H new ATOM 0 HG3 LYS A 364 10.171 -12.756 0.845 1.00 0.00 H new ATOM 0 HD2 LYS A 364 12.499 -13.289 1.491 1.00 0.00 H new ATOM 0 HD3 LYS A 364 13.044 -12.977 -0.145 1.00 0.00 H new ATOM 0 HE2 LYS A 364 13.485 -11.030 1.275 1.00 0.00 H new ATOM 0 HE3 LYS A 364 12.314 -10.621 0.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 11.769 -9.825 2.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 10.545 -10.751 1.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 11.537 -11.441 2.787 1.00 0.00 H new ATOM 178 N HIS A 365 7.865 -15.895 0.684 1.00 0.00 N ATOM 179 CA HIS A 365 6.850 -15.978 1.741 1.00 0.00 C ATOM 180 C HIS A 365 5.475 -15.532 1.241 1.00 0.00 C ATOM 181 O HIS A 365 4.449 -16.042 1.692 1.00 0.00 O ATOM 182 CB HIS A 365 7.260 -15.147 2.960 1.00 0.00 C ATOM 183 CG HIS A 365 8.515 -15.628 3.621 1.00 0.00 C ATOM 184 ND1 HIS A 365 8.650 -16.896 4.147 1.00 0.00 N ATOM 185 CD2 HIS A 365 9.695 -15.003 3.848 1.00 0.00 C ATOM 186 CE1 HIS A 365 9.857 -17.029 4.668 1.00 0.00 C ATOM 187 NE2 HIS A 365 10.511 -15.894 4.499 1.00 0.00 N ATOM 0 H HIS A 365 8.168 -16.801 0.328 1.00 0.00 H new ATOM 0 HA HIS A 365 6.779 -17.025 2.036 1.00 0.00 H new ATOM 0 HB2 HIS A 365 7.396 -14.110 2.653 1.00 0.00 H new ATOM 0 HB3 HIS A 365 6.448 -15.160 3.688 1.00 0.00 H new ATOM 0 HD2 HIS A 365 9.947 -13.991 3.568 1.00 0.00 H new ATOM 0 HE1 HIS A 365 10.243 -17.915 5.150 1.00 0.00 H new ATOM 0 HE2 HIS A 365 11.467 -15.710 4.803 1.00 0.00 H new ATOM 196 N LYS A 366 5.457 -14.578 0.316 1.00 0.00 N ATOM 197 CA LYS A 366 4.208 -14.064 -0.234 1.00 0.00 C ATOM 198 C LYS A 366 4.468 -13.242 -1.492 1.00 0.00 C ATOM 199 O LYS A 366 5.443 -12.493 -1.559 1.00 0.00 O ATOM 200 CB LYS A 366 3.485 -13.199 0.800 1.00 0.00 C ATOM 201 CG LYS A 366 4.324 -12.037 1.307 1.00 0.00 C ATOM 202 CD LYS A 366 3.523 -11.124 2.219 1.00 0.00 C ATOM 203 CE LYS A 366 4.384 -10.005 2.784 1.00 0.00 C ATOM 204 NZ LYS A 366 5.536 -10.532 3.569 1.00 0.00 N ATOM 0 H LYS A 366 6.296 -14.144 -0.069 1.00 0.00 H new ATOM 0 HA LYS A 366 3.580 -14.916 -0.493 1.00 0.00 H new ATOM 0 HB2 LYS A 366 2.567 -12.810 0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 366 3.193 -13.823 1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 366 5.190 -12.421 1.846 1.00 0.00 H new ATOM 0 HG3 LYS A 366 4.703 -11.465 0.460 1.00 0.00 H new ATOM 0 HD2 LYS A 366 2.687 -10.697 1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 366 3.099 -11.706 3.037 1.00 0.00 H new ATOM 0 HE2 LYS A 366 4.754 -9.385 1.968 1.00 0.00 H new ATOM 0 HE3 LYS A 366 3.774 -9.364 3.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 5.925 -9.775 4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 5.216 -11.318 4.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 6.273 -10.872 2.919 1.00 0.00 H new ATOM 218 N PRO A 367 3.597 -13.363 -2.511 1.00 0.00 N ATOM 219 CA PRO A 367 3.744 -12.618 -3.759 1.00 0.00 C ATOM 220 C PRO A 367 3.309 -11.165 -3.618 1.00 0.00 C ATOM 221 O PRO A 367 2.777 -10.569 -4.554 1.00 0.00 O ATOM 222 CB PRO A 367 2.827 -13.363 -4.716 1.00 0.00 C ATOM 223 CG PRO A 367 1.757 -13.925 -3.853 1.00 0.00 C ATOM 224 CD PRO A 367 2.396 -14.225 -2.523 1.00 0.00 C ATOM 0 HA PRO A 367 4.781 -12.570 -4.092 1.00 0.00 H new ATOM 0 HB2 PRO A 367 2.416 -12.694 -5.472 1.00 0.00 H new ATOM 0 HB3 PRO A 367 3.363 -14.151 -5.246 1.00 0.00 H new ATOM 0 HG2 PRO A 367 0.938 -13.215 -3.739 1.00 0.00 H new ATOM 0 HG3 PRO A 367 1.337 -14.829 -4.294 1.00 0.00 H new ATOM 0 HD2 PRO A 367 1.727 -13.991 -1.695 1.00 0.00 H new ATOM 0 HD3 PRO A 367 2.658 -15.279 -2.433 1.00 0.00 H new ATOM 232 N ALA A 368 3.546 -10.599 -2.439 1.00 0.00 N ATOM 233 CA ALA A 368 3.188 -9.215 -2.166 1.00 0.00 C ATOM 234 C ALA A 368 4.194 -8.260 -2.794 1.00 0.00 C ATOM 235 O ALA A 368 5.404 -8.435 -2.652 1.00 0.00 O ATOM 236 CB ALA A 368 3.097 -8.977 -0.666 1.00 0.00 C ATOM 0 H ALA A 368 3.986 -11.081 -1.656 1.00 0.00 H new ATOM 0 HA ALA A 368 2.212 -9.022 -2.611 1.00 0.00 H new ATOM 0 HB1 ALA A 368 2.828 -7.937 -0.478 1.00 0.00 H new ATOM 0 HB2 ALA A 368 2.337 -9.631 -0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 368 4.061 -9.192 -0.204 1.00 0.00 H new ATOM 242 N GLU A 369 3.687 -7.248 -3.485 1.00 0.00 N ATOM 243 CA GLU A 369 4.543 -6.264 -4.133 1.00 0.00 C ATOM 244 C GLU A 369 5.227 -5.378 -3.098 1.00 0.00 C ATOM 245 O GLU A 369 4.569 -4.758 -2.264 1.00 0.00 O ATOM 246 CB GLU A 369 3.730 -5.406 -5.104 1.00 0.00 C ATOM 247 CG GLU A 369 4.548 -4.334 -5.808 1.00 0.00 C ATOM 248 CD GLU A 369 5.699 -4.909 -6.611 1.00 0.00 C ATOM 249 OE1 GLU A 369 5.436 -5.707 -7.535 1.00 0.00 O ATOM 250 OE2 GLU A 369 6.861 -4.562 -6.316 1.00 0.00 O ATOM 0 H GLU A 369 2.688 -7.087 -3.611 1.00 0.00 H new ATOM 0 HA GLU A 369 5.311 -6.798 -4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 369 3.275 -6.054 -5.854 1.00 0.00 H new ATOM 0 HB3 GLU A 369 2.916 -4.929 -4.559 1.00 0.00 H new ATOM 0 HG2 GLU A 369 3.898 -3.763 -6.471 1.00 0.00 H new ATOM 0 HG3 GLU A 369 4.940 -3.637 -5.067 1.00 0.00 H new ATOM 257 N SER A 370 6.553 -5.319 -3.166 1.00 0.00 N ATOM 258 CA SER A 370 7.329 -4.503 -2.240 1.00 0.00 C ATOM 259 C SER A 370 7.066 -3.025 -2.485 1.00 0.00 C ATOM 260 O SER A 370 6.944 -2.237 -1.548 1.00 0.00 O ATOM 261 CB SER A 370 8.821 -4.803 -2.385 1.00 0.00 C ATOM 262 OG SER A 370 9.590 -4.018 -1.491 1.00 0.00 O ATOM 0 H SER A 370 7.112 -5.826 -3.852 1.00 0.00 H new ATOM 0 HA SER A 370 7.020 -4.749 -1.224 1.00 0.00 H new ATOM 0 HB2 SER A 370 9.002 -5.861 -2.193 1.00 0.00 H new ATOM 0 HB3 SER A 370 9.136 -4.606 -3.410 1.00 0.00 H new ATOM 0 HG SER A 370 10.540 -4.231 -1.603 1.00 0.00 H new ATOM 268 N GLN A 371 6.975 -2.665 -3.757 1.00 0.00 N ATOM 269 CA GLN A 371 6.720 -1.286 -4.154 1.00 0.00 C ATOM 270 C GLN A 371 5.235 -0.955 -4.035 1.00 0.00 C ATOM 271 O GLN A 371 4.616 -0.495 -4.997 1.00 0.00 O ATOM 272 CB GLN A 371 7.195 -1.047 -5.588 1.00 0.00 C ATOM 273 CG GLN A 371 8.675 -1.325 -5.793 1.00 0.00 C ATOM 274 CD GLN A 371 9.144 -1.058 -7.214 1.00 0.00 C ATOM 275 OE1 GLN A 371 8.233 -0.611 -8.075 1.00 0.00 O flip ATOM 276 NE2 GLN A 371 10.316 -1.251 -7.534 1.00 0.00 N flip ATOM 0 H GLN A 371 7.075 -3.314 -4.538 1.00 0.00 H new ATOM 0 HA GLN A 371 7.277 -0.632 -3.483 1.00 0.00 H new ATOM 0 HB2 GLN A 371 6.618 -1.679 -6.263 1.00 0.00 H new ATOM 0 HB3 GLN A 371 6.986 -0.013 -5.863 1.00 0.00 H new ATOM 0 HG2 GLN A 371 9.253 -0.708 -5.105 1.00 0.00 H new ATOM 0 HG3 GLN A 371 8.881 -2.365 -5.539 1.00 0.00 H new ATOM 0 HE21 GLN A 371 10.983 -1.594 -6.843 1.00 0.00 H new ATOM 0 HE22 GLN A 371 10.620 -1.068 -8.490 1.00 0.00 H new ATOM 285 N GLN A 372 4.666 -1.195 -2.856 1.00 0.00 N ATOM 286 CA GLN A 372 3.251 -0.923 -2.619 1.00 0.00 C ATOM 287 C GLN A 372 2.894 0.493 -3.053 1.00 0.00 C ATOM 288 O GLN A 372 3.611 1.446 -2.747 1.00 0.00 O ATOM 289 CB GLN A 372 2.912 -1.118 -1.139 1.00 0.00 C ATOM 290 CG GLN A 372 1.456 -0.833 -0.802 1.00 0.00 C ATOM 291 CD GLN A 372 1.153 -1.006 0.673 1.00 0.00 C ATOM 292 OE1 GLN A 372 1.755 -0.350 1.523 1.00 0.00 O ATOM 293 NE2 GLN A 372 0.211 -1.889 0.986 1.00 0.00 N ATOM 0 H GLN A 372 5.163 -1.577 -2.051 1.00 0.00 H new ATOM 0 HA GLN A 372 2.665 -1.626 -3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 372 3.148 -2.143 -0.853 1.00 0.00 H new ATOM 0 HB3 GLN A 372 3.548 -0.466 -0.541 1.00 0.00 H new ATOM 0 HG2 GLN A 372 1.210 0.186 -1.102 1.00 0.00 H new ATOM 0 HG3 GLN A 372 0.816 -1.499 -1.381 1.00 0.00 H new ATOM 0 HE21 GLN A 372 -0.263 -2.412 0.249 1.00 0.00 H new ATOM 0 HE22 GLN A 372 -0.038 -2.044 1.963 1.00 0.00 H new ATOM 302 N GLN A 373 1.785 0.622 -3.774 1.00 0.00 N ATOM 303 CA GLN A 373 1.336 1.922 -4.259 1.00 0.00 C ATOM 304 C GLN A 373 1.144 2.894 -3.099 1.00 0.00 C ATOM 305 O GLN A 373 0.687 2.510 -2.022 1.00 0.00 O ATOM 306 CB GLN A 373 0.033 1.777 -5.048 1.00 0.00 C ATOM 307 CG GLN A 373 -0.421 3.065 -5.714 1.00 0.00 C ATOM 308 CD GLN A 373 0.581 3.581 -6.729 1.00 0.00 C ATOM 309 OE1 GLN A 373 0.899 2.902 -7.705 1.00 0.00 O ATOM 310 NE2 GLN A 373 1.083 4.790 -6.504 1.00 0.00 N ATOM 0 H GLN A 373 1.181 -0.157 -4.035 1.00 0.00 H new ATOM 0 HA GLN A 373 2.104 2.322 -4.921 1.00 0.00 H new ATOM 0 HB2 GLN A 373 0.163 1.010 -5.811 1.00 0.00 H new ATOM 0 HB3 GLN A 373 -0.752 1.429 -4.377 1.00 0.00 H new ATOM 0 HG2 GLN A 373 -1.378 2.897 -6.207 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -0.585 3.826 -4.951 1.00 0.00 H new ATOM 0 HE21 GLN A 373 0.791 5.318 -5.682 1.00 0.00 H new ATOM 0 HE22 GLN A 373 1.760 5.190 -7.153 1.00 0.00 H new ATOM 319 N ALA A 374 1.505 4.152 -3.326 1.00 0.00 N ATOM 320 CA ALA A 374 1.383 5.185 -2.307 1.00 0.00 C ATOM 321 C ALA A 374 0.376 6.247 -2.724 1.00 0.00 C ATOM 322 O ALA A 374 0.271 6.582 -3.904 1.00 0.00 O ATOM 323 CB ALA A 374 2.738 5.818 -2.033 1.00 0.00 C ATOM 0 H ALA A 374 1.887 4.481 -4.213 1.00 0.00 H new ATOM 0 HA ALA A 374 1.021 4.718 -1.391 1.00 0.00 H new ATOM 0 HB1 ALA A 374 2.632 6.588 -1.269 1.00 0.00 H new ATOM 0 HB2 ALA A 374 3.433 5.054 -1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 374 3.122 6.266 -2.949 1.00 0.00 H new ATOM 329 N ALA A 375 -0.349 6.783 -1.743 1.00 0.00 N ATOM 330 CA ALA A 375 -1.339 7.816 -1.984 1.00 0.00 C ATOM 331 C ALA A 375 -2.110 7.571 -3.272 1.00 0.00 C ATOM 332 O ALA A 375 -2.098 8.388 -4.192 1.00 0.00 O ATOM 333 CB ALA A 375 -0.660 9.166 -1.985 1.00 0.00 C ATOM 0 H ALA A 375 -0.262 6.510 -0.764 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.075 7.792 -1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -1.400 9.945 -2.166 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -0.184 9.335 -1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 375 0.095 9.193 -2.771 1.00 0.00 H new ATOM 339 N GLU A 376 -2.772 6.425 -3.312 1.00 0.00 N ATOM 340 CA GLU A 376 -3.566 6.014 -4.463 1.00 0.00 C ATOM 341 C GLU A 376 -4.695 7.004 -4.738 1.00 0.00 C ATOM 342 O GLU A 376 -4.596 8.186 -4.409 1.00 0.00 O ATOM 343 CB GLU A 376 -4.144 4.622 -4.204 1.00 0.00 C ATOM 344 CG GLU A 376 -3.119 3.634 -3.676 1.00 0.00 C ATOM 345 CD GLU A 376 -3.688 2.241 -3.492 1.00 0.00 C ATOM 346 OE1 GLU A 376 -4.679 2.098 -2.745 1.00 0.00 O ATOM 347 OE2 GLU A 376 -3.144 1.293 -4.096 1.00 0.00 O ATOM 0 H GLU A 376 -2.775 5.751 -2.546 1.00 0.00 H new ATOM 0 HA GLU A 376 -2.920 5.991 -5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -4.962 4.703 -3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.568 4.234 -5.130 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.276 3.589 -4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -2.733 3.993 -2.722 1.00 0.00 H new ATOM 354 N THR A 377 -5.769 6.511 -5.344 1.00 0.00 N ATOM 355 CA THR A 377 -6.917 7.344 -5.671 1.00 0.00 C ATOM 356 C THR A 377 -8.201 6.533 -5.625 1.00 0.00 C ATOM 357 O THR A 377 -8.189 5.324 -5.862 1.00 0.00 O ATOM 358 CB THR A 377 -6.774 7.978 -7.070 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.690 6.951 -8.066 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.536 8.859 -7.144 1.00 0.00 C ATOM 0 H THR A 377 -5.867 5.534 -5.619 1.00 0.00 H new ATOM 0 HA THR A 377 -6.958 8.138 -4.926 1.00 0.00 H new ATOM 0 HB THR A 377 -7.653 8.596 -7.254 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.601 7.361 -8.952 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.458 9.294 -8.140 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.612 9.656 -6.405 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.649 8.259 -6.940 1.00 0.00 H new ATOM 368 N GLU A 378 -9.306 7.201 -5.310 1.00 0.00 N ATOM 369 CA GLU A 378 -10.603 6.540 -5.227 1.00 0.00 C ATOM 370 C GLU A 378 -10.838 5.677 -6.455 1.00 0.00 C ATOM 371 O GLU A 378 -11.357 4.567 -6.358 1.00 0.00 O ATOM 372 CB GLU A 378 -11.718 7.577 -5.097 1.00 0.00 C ATOM 373 CG GLU A 378 -13.098 6.970 -4.907 1.00 0.00 C ATOM 374 CD GLU A 378 -14.185 8.019 -4.773 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.861 9.223 -4.842 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.361 7.636 -4.599 1.00 0.00 O ATOM 0 H GLU A 378 -9.329 8.201 -5.108 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.609 5.902 -4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.498 8.230 -4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.726 8.203 -5.989 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.326 6.323 -5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.094 6.341 -4.017 1.00 0.00 H new ATOM 383 N GLY A 379 -10.443 6.198 -7.607 1.00 0.00 N ATOM 384 CA GLY A 379 -10.610 5.469 -8.846 1.00 0.00 C ATOM 385 C GLY A 379 -9.877 4.148 -8.846 1.00 0.00 C ATOM 386 O GLY A 379 -10.400 3.142 -9.326 1.00 0.00 O ATOM 0 H GLY A 379 -10.009 7.116 -7.705 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.671 5.291 -9.018 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.250 6.080 -9.674 1.00 0.00 H new ATOM 390 N SER A 380 -8.665 4.142 -8.306 1.00 0.00 N ATOM 391 CA SER A 380 -7.871 2.925 -8.251 1.00 0.00 C ATOM 392 C SER A 380 -8.525 1.889 -7.343 1.00 0.00 C ATOM 393 O SER A 380 -8.725 0.743 -7.736 1.00 0.00 O ATOM 394 CB SER A 380 -6.462 3.232 -7.761 1.00 0.00 C ATOM 395 OG SER A 380 -5.804 4.138 -8.628 1.00 0.00 O ATOM 0 H SER A 380 -8.214 4.963 -7.902 1.00 0.00 H new ATOM 0 HA SER A 380 -7.814 2.513 -9.259 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.507 3.653 -6.757 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.888 2.308 -7.693 1.00 0.00 H new ATOM 0 HG SER A 380 -6.103 5.051 -8.435 1.00 0.00 H new ATOM 401 N CYS A 381 -8.854 2.308 -6.126 1.00 0.00 N ATOM 402 CA CYS A 381 -9.479 1.425 -5.143 1.00 0.00 C ATOM 403 C CYS A 381 -10.730 0.746 -5.696 1.00 0.00 C ATOM 404 O CYS A 381 -10.934 -0.452 -5.491 1.00 0.00 O ATOM 405 CB CYS A 381 -9.835 2.217 -3.889 1.00 0.00 C ATOM 406 SG CYS A 381 -8.402 2.991 -3.074 1.00 0.00 S ATOM 0 H CYS A 381 -8.698 3.260 -5.793 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.759 0.644 -4.898 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.553 2.993 -4.153 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.329 1.553 -3.180 1.00 0.00 H new ATOM 411 N ASN A 382 -11.568 1.514 -6.384 1.00 0.00 N ATOM 412 CA ASN A 382 -12.806 0.983 -6.956 1.00 0.00 C ATOM 413 C ASN A 382 -12.535 -0.244 -7.816 1.00 0.00 C ATOM 414 O ASN A 382 -13.379 -1.132 -7.934 1.00 0.00 O ATOM 415 CB ASN A 382 -13.504 2.048 -7.805 1.00 0.00 C ATOM 416 CG ASN A 382 -13.875 3.287 -7.015 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.557 3.295 -5.727 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.446 4.233 -7.560 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.415 2.507 -6.561 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.452 0.695 -6.127 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.851 2.332 -8.630 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.405 1.621 -8.244 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.673 4.188 -8.553 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.691 5.061 -7.018 1.00 0.00 H new ATOM 425 N LYS A 383 -11.360 -0.277 -8.427 1.00 0.00 N ATOM 426 CA LYS A 383 -10.979 -1.380 -9.293 1.00 0.00 C ATOM 427 C LYS A 383 -10.394 -2.535 -8.489 1.00 0.00 C ATOM 428 O LYS A 383 -10.509 -3.696 -8.878 1.00 0.00 O ATOM 429 CB LYS A 383 -9.973 -0.890 -10.334 1.00 0.00 C ATOM 430 CG LYS A 383 -10.385 0.415 -11.003 1.00 0.00 C ATOM 431 CD LYS A 383 -11.773 0.317 -11.621 1.00 0.00 C ATOM 432 CE LYS A 383 -12.149 1.593 -12.355 1.00 0.00 C ATOM 433 NZ LYS A 383 -12.168 2.772 -11.446 1.00 0.00 N ATOM 0 H LYS A 383 -10.652 0.452 -8.338 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.871 -1.748 -9.799 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.003 -0.755 -9.856 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.848 -1.658 -11.097 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.369 1.221 -10.269 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.660 0.673 -11.775 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.805 -0.525 -12.313 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.506 0.116 -10.840 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.439 1.769 -13.163 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -13.131 1.472 -12.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.345 3.634 -12.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -12.921 2.653 -10.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.250 2.853 -10.963 1.00 0.00 H new ATOM 447 N LYS A 384 -9.759 -2.206 -7.369 1.00 0.00 N ATOM 448 CA LYS A 384 -9.145 -3.207 -6.514 1.00 0.00 C ATOM 449 C LYS A 384 -10.179 -4.138 -5.893 1.00 0.00 C ATOM 450 O LYS A 384 -11.121 -3.690 -5.236 1.00 0.00 O ATOM 451 CB LYS A 384 -8.337 -2.511 -5.420 1.00 0.00 C ATOM 452 CG LYS A 384 -6.942 -2.063 -5.849 1.00 0.00 C ATOM 453 CD LYS A 384 -6.913 -1.430 -7.235 1.00 0.00 C ATOM 454 CE LYS A 384 -6.635 -2.460 -8.323 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.581 -1.838 -9.675 1.00 0.00 N ATOM 0 H LYS A 384 -9.658 -1.248 -7.034 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.487 -3.821 -7.129 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.894 -1.640 -5.074 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.242 -3.187 -4.570 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.558 -1.347 -5.122 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.272 -2.922 -5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.868 -0.942 -7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.147 -0.655 -7.264 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.689 -2.961 -8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.411 -3.225 -8.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.230 -2.339 -10.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.863 -0.839 -9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.612 -1.900 -10.047 1.00 0.00 H new ATOM 469 N ASP A 385 -9.982 -5.439 -6.088 1.00 0.00 N ATOM 470 CA ASP A 385 -10.881 -6.442 -5.533 1.00 0.00 C ATOM 471 C ASP A 385 -10.716 -6.508 -4.020 1.00 0.00 C ATOM 472 O ASP A 385 -9.961 -5.729 -3.444 1.00 0.00 O ATOM 473 CB ASP A 385 -10.604 -7.813 -6.154 1.00 0.00 C ATOM 474 CG ASP A 385 -10.804 -7.816 -7.657 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.933 -7.528 -8.105 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.831 -8.106 -8.385 1.00 0.00 O ATOM 0 H ASP A 385 -9.206 -5.822 -6.627 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.907 -6.158 -5.767 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.581 -8.113 -5.925 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.262 -8.554 -5.701 1.00 0.00 H new ATOM 481 N GLN A 386 -11.419 -7.438 -3.382 1.00 0.00 N ATOM 482 CA GLN A 386 -11.346 -7.591 -1.931 1.00 0.00 C ATOM 483 C GLN A 386 -9.897 -7.625 -1.449 1.00 0.00 C ATOM 484 O GLN A 386 -9.490 -6.811 -0.620 1.00 0.00 O ATOM 485 CB GLN A 386 -12.072 -8.868 -1.502 1.00 0.00 C ATOM 486 CG GLN A 386 -12.092 -9.086 0.003 1.00 0.00 C ATOM 487 CD GLN A 386 -12.825 -10.354 0.397 1.00 0.00 C ATOM 488 OE1 GLN A 386 -12.435 -11.457 0.012 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.895 -10.204 1.168 1.00 0.00 N ATOM 0 H GLN A 386 -12.045 -8.097 -3.845 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.833 -6.729 -1.475 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -13.098 -8.832 -1.868 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.594 -9.724 -1.978 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -11.068 -9.132 0.374 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.567 -8.231 0.484 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -14.183 -9.272 1.464 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -14.429 -11.021 1.464 1.00 0.00 H new ATOM 498 N ASN A 387 -9.122 -8.566 -1.976 1.00 0.00 N ATOM 499 CA ASN A 387 -7.719 -8.700 -1.600 1.00 0.00 C ATOM 500 C ASN A 387 -6.908 -7.498 -2.076 1.00 0.00 C ATOM 501 O ASN A 387 -5.913 -7.122 -1.455 1.00 0.00 O ATOM 502 CB ASN A 387 -7.133 -9.989 -2.181 1.00 0.00 C ATOM 503 CG ASN A 387 -5.702 -10.222 -1.749 1.00 0.00 C ATOM 504 OD1 ASN A 387 -5.395 -10.243 -0.557 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.818 -10.411 -2.719 1.00 0.00 N ATOM 0 H ASN A 387 -9.441 -9.247 -2.665 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.665 -8.743 -0.512 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.745 -10.835 -1.869 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.178 -9.946 -3.269 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.839 -10.582 -2.490 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.117 -10.385 -3.694 1.00 0.00 H new ATOM 512 N GLU A 388 -7.336 -6.906 -3.187 1.00 0.00 N ATOM 513 CA GLU A 388 -6.649 -5.752 -3.758 1.00 0.00 C ATOM 514 C GLU A 388 -6.976 -4.474 -2.997 1.00 0.00 C ATOM 515 O GLU A 388 -6.248 -3.487 -3.101 1.00 0.00 O ATOM 516 CB GLU A 388 -7.015 -5.594 -5.235 1.00 0.00 C ATOM 517 CG GLU A 388 -6.645 -6.798 -6.087 1.00 0.00 C ATOM 518 CD GLU A 388 -7.017 -6.620 -7.548 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.556 -5.548 -7.898 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.769 -7.551 -8.341 1.00 0.00 O ATOM 0 H GLU A 388 -8.158 -7.207 -3.711 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.577 -5.928 -3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -8.087 -5.417 -5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.514 -4.711 -5.632 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.573 -6.977 -6.009 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -7.146 -7.683 -5.694 1.00 0.00 H new ATOM 527 N CYS A 389 -8.066 -4.491 -2.231 1.00 0.00 N ATOM 528 CA CYS A 389 -8.459 -3.318 -1.462 1.00 0.00 C ATOM 529 C CYS A 389 -7.307 -2.916 -0.546 1.00 0.00 C ATOM 530 O CYS A 389 -7.099 -3.505 0.515 1.00 0.00 O ATOM 531 CB CYS A 389 -9.733 -3.603 -0.660 1.00 0.00 C ATOM 532 SG CYS A 389 -10.571 -2.109 -0.032 1.00 0.00 S ATOM 0 H CYS A 389 -8.684 -5.296 -2.129 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.678 -2.492 -2.138 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.428 -4.159 -1.289 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.482 -4.247 0.183 1.00 0.00 H new ATOM 537 N LYS A 390 -6.538 -1.934 -1.002 1.00 0.00 N ATOM 538 CA LYS A 390 -5.364 -1.457 -0.280 1.00 0.00 C ATOM 539 C LYS A 390 -5.724 -0.702 0.996 1.00 0.00 C ATOM 540 O LYS A 390 -6.870 -0.303 1.197 1.00 0.00 O ATOM 541 CB LYS A 390 -4.526 -0.581 -1.205 1.00 0.00 C ATOM 542 CG LYS A 390 -3.937 -1.346 -2.383 1.00 0.00 C ATOM 543 CD LYS A 390 -2.885 -2.345 -1.930 1.00 0.00 C ATOM 544 CE LYS A 390 -2.286 -3.095 -3.109 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.627 -2.175 -4.076 1.00 0.00 N ATOM 0 H LYS A 390 -6.710 -1.447 -1.881 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.787 -2.328 0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.144 0.234 -1.582 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.716 -0.129 -0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.733 -1.870 -2.912 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.493 -0.644 -3.089 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.095 -1.823 -1.390 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.332 -3.055 -1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.559 -3.821 -2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -3.070 -3.656 -3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.034 -2.725 -4.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -2.352 -1.661 -4.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.033 -1.495 -3.559 1.00 0.00 H new ATOM 559 N SER A 391 -4.722 -0.527 1.861 1.00 0.00 N ATOM 560 CA SER A 391 -4.908 0.165 3.135 1.00 0.00 C ATOM 561 C SER A 391 -5.555 1.535 2.937 1.00 0.00 C ATOM 562 O SER A 391 -6.582 1.824 3.550 1.00 0.00 O ATOM 563 CB SER A 391 -3.570 0.311 3.868 1.00 0.00 C ATOM 564 OG SER A 391 -3.738 0.972 5.111 1.00 0.00 O ATOM 0 H SER A 391 -3.771 -0.857 1.700 1.00 0.00 H new ATOM 0 HA SER A 391 -5.580 -0.439 3.744 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.133 -0.674 4.033 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.871 0.871 3.247 1.00 0.00 H new ATOM 0 HG SER A 391 -2.870 1.051 5.559 1.00 0.00 H new ATOM 570 N PRO A 392 -4.988 2.401 2.065 1.00 0.00 N ATOM 571 CA PRO A 392 -5.555 3.722 1.799 1.00 0.00 C ATOM 572 C PRO A 392 -7.027 3.613 1.432 1.00 0.00 C ATOM 573 O PRO A 392 -7.821 4.519 1.687 1.00 0.00 O ATOM 574 CB PRO A 392 -4.730 4.234 0.608 1.00 0.00 C ATOM 575 CG PRO A 392 -4.033 3.037 0.070 1.00 0.00 C ATOM 576 CD PRO A 392 -3.779 2.179 1.259 1.00 0.00 C ATOM 0 HA PRO A 392 -5.510 4.386 2.662 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.371 4.689 -0.148 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.017 4.996 0.922 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.647 2.520 -0.667 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.102 3.311 -0.426 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.658 1.131 0.986 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.875 2.476 1.790 1.00 0.00 H new ATOM 584 N CYS A 393 -7.383 2.484 0.838 1.00 0.00 N ATOM 585 CA CYS A 393 -8.757 2.228 0.443 1.00 0.00 C ATOM 586 C CYS A 393 -9.559 1.717 1.633 1.00 0.00 C ATOM 587 O CYS A 393 -9.023 1.034 2.507 1.00 0.00 O ATOM 588 CB CYS A 393 -8.805 1.200 -0.680 1.00 0.00 C ATOM 589 SG CYS A 393 -7.591 1.476 -2.007 1.00 0.00 S ATOM 0 H CYS A 393 -6.735 1.728 0.619 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.192 3.163 0.089 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.642 0.209 -0.256 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.805 1.201 -1.114 1.00 0.00 H new ATOM 594 N LYS A 394 -10.843 2.039 1.658 1.00 0.00 N ATOM 595 CA LYS A 394 -11.716 1.599 2.739 1.00 0.00 C ATOM 596 C LYS A 394 -12.642 0.491 2.257 1.00 0.00 C ATOM 597 O LYS A 394 -13.386 0.663 1.290 1.00 0.00 O ATOM 598 CB LYS A 394 -12.525 2.777 3.288 1.00 0.00 C ATOM 599 CG LYS A 394 -13.420 2.405 4.460 1.00 0.00 C ATOM 600 CD LYS A 394 -14.052 3.629 5.112 1.00 0.00 C ATOM 601 CE LYS A 394 -15.059 4.310 4.197 1.00 0.00 C ATOM 602 NZ LYS A 394 -14.408 4.982 3.040 1.00 0.00 N ATOM 0 H LYS A 394 -11.305 2.602 0.944 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.097 1.204 3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.839 3.564 3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.140 3.189 2.488 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.206 1.732 4.116 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.836 1.860 5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.546 3.332 6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.271 4.339 5.382 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -15.772 3.571 3.831 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -15.627 5.044 4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -14.865 5.900 2.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -13.400 5.131 3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.503 4.385 2.193 1.00 0.00 H new ATOM 616 N TRP A 395 -12.577 -0.651 2.931 1.00 0.00 N ATOM 617 CA TRP A 395 -13.394 -1.801 2.570 1.00 0.00 C ATOM 618 C TRP A 395 -14.836 -1.628 3.037 1.00 0.00 C ATOM 619 O TRP A 395 -15.088 -1.142 4.140 1.00 0.00 O ATOM 620 CB TRP A 395 -12.803 -3.075 3.173 1.00 0.00 C ATOM 621 CG TRP A 395 -13.475 -4.325 2.698 1.00 0.00 C ATOM 622 CD1 TRP A 395 -14.052 -5.289 3.472 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.628 -4.754 1.339 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.561 -6.288 2.679 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.312 -5.984 1.366 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.258 -4.216 0.101 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.630 -6.684 0.208 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.574 -4.914 -1.049 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.254 -6.136 -0.989 1.00 0.00 C ATOM 0 H TRP A 395 -11.965 -0.805 3.732 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.397 -1.881 1.483 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.742 -3.126 2.928 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.877 -3.022 4.259 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -14.101 -5.269 4.551 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -15.046 -7.121 3.013 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.735 -3.273 0.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.155 -7.627 0.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.292 -4.510 -2.010 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.487 -6.657 -1.906 1.00 0.00 H new ATOM 640 N HIS A 396 -15.779 -2.039 2.194 1.00 0.00 N ATOM 641 CA HIS A 396 -17.197 -1.941 2.526 1.00 0.00 C ATOM 642 C HIS A 396 -17.834 -3.322 2.584 1.00 0.00 C ATOM 643 O HIS A 396 -18.003 -3.982 1.552 1.00 0.00 O ATOM 644 CB HIS A 396 -17.937 -1.086 1.494 1.00 0.00 C ATOM 645 CG HIS A 396 -17.402 0.304 1.369 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.370 1.196 2.422 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.882 0.961 0.306 1.00 0.00 C ATOM 648 CE1 HIS A 396 -16.854 2.340 2.011 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.550 2.223 0.732 1.00 0.00 N ATOM 0 H HIS A 396 -15.587 -2.443 1.277 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.276 -1.469 3.505 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.881 -1.576 0.522 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.992 -1.037 1.765 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -17.694 1.002 3.369 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.753 0.566 -0.691 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.706 3.221 2.618 1.00 0.00 H new ATOM 658 N ASN A 397 -18.199 -3.747 3.793 1.00 0.00 N ATOM 659 CA ASN A 397 -18.836 -5.045 3.990 1.00 0.00 C ATOM 660 C ASN A 397 -20.338 -4.870 4.181 1.00 0.00 C ATOM 661 O ASN A 397 -20.821 -4.743 5.307 1.00 0.00 O ATOM 662 CB ASN A 397 -18.228 -5.758 5.201 1.00 0.00 C ATOM 663 CG ASN A 397 -18.800 -7.149 5.405 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.998 -7.315 5.637 1.00 0.00 O ATOM 665 ND2 ASN A 397 -17.941 -8.158 5.318 1.00 0.00 N ATOM 0 H ASN A 397 -18.064 -3.210 4.650 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.664 -5.656 3.104 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.148 -5.828 5.073 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.404 -5.161 6.096 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -18.266 -9.117 5.445 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -16.957 -7.974 5.124 1.00 0.00 H new ATOM 672 N ASP A 398 -21.064 -4.859 3.068 1.00 0.00 N ATOM 673 CA ASP A 398 -22.515 -4.693 3.078 1.00 0.00 C ATOM 674 C ASP A 398 -23.031 -4.575 1.652 1.00 0.00 C ATOM 675 O ASP A 398 -24.141 -5.006 1.340 1.00 0.00 O ATOM 676 CB ASP A 398 -22.917 -3.448 3.875 1.00 0.00 C ATOM 677 CG ASP A 398 -22.330 -2.174 3.297 1.00 0.00 C ATOM 678 OD1 ASP A 398 -21.087 -2.071 3.229 1.00 0.00 O ATOM 679 OD2 ASP A 398 -23.113 -1.282 2.911 1.00 0.00 O ATOM 0 H ASP A 398 -20.665 -4.965 2.135 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.956 -5.568 3.556 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -24.004 -3.368 3.894 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.588 -3.560 4.908 1.00 0.00 H new ATOM 684 N ALA A 399 -22.204 -3.982 0.797 1.00 0.00 N ATOM 685 CA ALA A 399 -22.541 -3.786 -0.607 1.00 0.00 C ATOM 686 C ALA A 399 -23.083 -5.068 -1.229 1.00 0.00 C ATOM 687 O ALA A 399 -22.707 -6.170 -0.831 1.00 0.00 O ATOM 688 CB ALA A 399 -21.316 -3.304 -1.369 1.00 0.00 C ATOM 0 H ALA A 399 -21.285 -3.625 1.057 1.00 0.00 H new ATOM 0 HA ALA A 399 -23.323 -3.030 -0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.574 -3.159 -2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.973 -2.360 -0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.522 -4.047 -1.290 1.00 0.00 H new ATOM 694 N GLU A 400 -23.972 -4.911 -2.209 1.00 0.00 N ATOM 695 CA GLU A 400 -24.574 -6.051 -2.896 1.00 0.00 C ATOM 696 C GLU A 400 -23.505 -7.035 -3.358 1.00 0.00 C ATOM 697 O GLU A 400 -23.783 -8.216 -3.570 1.00 0.00 O ATOM 698 CB GLU A 400 -25.399 -5.575 -4.095 1.00 0.00 C ATOM 699 CG GLU A 400 -26.545 -4.650 -3.717 1.00 0.00 C ATOM 700 CD GLU A 400 -27.352 -4.200 -4.919 1.00 0.00 C ATOM 701 OE1 GLU A 400 -26.769 -3.562 -5.819 1.00 0.00 O ATOM 702 OE2 GLU A 400 -28.567 -4.486 -4.959 1.00 0.00 O ATOM 0 H GLU A 400 -24.291 -4.002 -2.545 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.231 -6.561 -2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.742 -5.059 -4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.801 -6.444 -4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -27.202 -5.161 -3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -26.147 -3.775 -3.203 1.00 0.00 H new ATOM 709 N ASN A 401 -22.279 -6.542 -3.505 1.00 0.00 N ATOM 710 CA ASN A 401 -21.165 -7.376 -3.934 1.00 0.00 C ATOM 711 C ASN A 401 -19.839 -6.806 -3.440 1.00 0.00 C ATOM 712 O ASN A 401 -18.826 -6.873 -4.137 1.00 0.00 O ATOM 713 CB ASN A 401 -21.150 -7.503 -5.462 1.00 0.00 C ATOM 714 CG ASN A 401 -21.035 -6.165 -6.178 1.00 0.00 C ATOM 715 OD1 ASN A 401 -21.009 -5.070 -5.423 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -20.972 -6.118 -7.407 1.00 0.00 N flip ATOM 0 H ASN A 401 -22.033 -5.567 -3.333 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.296 -8.367 -3.500 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.315 -8.138 -5.758 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.062 -8.003 -5.787 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -20.995 -6.980 -7.952 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -20.897 -5.217 -7.880 1.00 0.00 H new ATOM 723 N LYS A 402 -19.858 -6.252 -2.226 1.00 0.00 N ATOM 724 CA LYS A 402 -18.659 -5.672 -1.618 1.00 0.00 C ATOM 725 C LYS A 402 -18.157 -4.472 -2.418 1.00 0.00 C ATOM 726 O LYS A 402 -18.286 -4.432 -3.642 1.00 0.00 O ATOM 727 CB LYS A 402 -17.551 -6.723 -1.497 1.00 0.00 C ATOM 728 CG LYS A 402 -17.830 -7.806 -0.462 1.00 0.00 C ATOM 729 CD LYS A 402 -19.005 -8.686 -0.860 1.00 0.00 C ATOM 730 CE LYS A 402 -19.267 -9.765 0.178 1.00 0.00 C ATOM 731 NZ LYS A 402 -20.415 -10.634 -0.202 1.00 0.00 N ATOM 0 H LYS A 402 -20.693 -6.193 -1.643 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.929 -5.328 -0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.404 -7.194 -2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.617 -6.223 -1.241 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -16.941 -8.424 -0.335 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -18.035 -7.341 0.502 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -19.897 -8.071 -0.981 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.804 -9.149 -1.826 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.373 -10.377 0.299 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -19.468 -9.299 1.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -20.561 -11.357 0.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -21.274 -10.055 -0.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -20.213 -11.099 -1.110 1.00 0.00 H new ATOM 745 N LYS A 403 -17.592 -3.488 -1.720 1.00 0.00 N ATOM 746 CA LYS A 403 -17.085 -2.286 -2.383 1.00 0.00 C ATOM 747 C LYS A 403 -15.835 -1.739 -1.699 1.00 0.00 C ATOM 748 O LYS A 403 -15.711 -1.780 -0.477 1.00 0.00 O ATOM 749 CB LYS A 403 -18.164 -1.203 -2.419 1.00 0.00 C ATOM 750 CG LYS A 403 -19.354 -1.555 -3.296 1.00 0.00 C ATOM 751 CD LYS A 403 -20.435 -0.482 -3.259 1.00 0.00 C ATOM 752 CE LYS A 403 -19.975 0.822 -3.897 1.00 0.00 C ATOM 753 NZ LYS A 403 -18.907 1.494 -3.104 1.00 0.00 N ATOM 0 H LYS A 403 -17.474 -3.497 -0.707 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.815 -2.570 -3.400 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.514 -1.018 -1.404 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.722 -0.274 -2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.017 -1.694 -4.323 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.776 -2.505 -2.968 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -21.322 -0.845 -3.778 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.724 -0.296 -2.225 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -19.606 0.621 -4.903 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -20.827 1.495 -3.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -19.073 2.521 -3.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -18.922 1.135 -2.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -17.980 1.296 -3.532 1.00 0.00 H new ATOM 767 N CYS A 404 -14.916 -1.216 -2.507 1.00 0.00 N ATOM 768 CA CYS A 404 -13.673 -0.640 -2.001 1.00 0.00 C ATOM 769 C CYS A 404 -13.463 0.747 -2.607 1.00 0.00 C ATOM 770 O CYS A 404 -13.515 0.909 -3.826 1.00 0.00 O ATOM 771 CB CYS A 404 -12.489 -1.553 -2.347 1.00 0.00 C ATOM 772 SG CYS A 404 -10.883 -0.982 -1.702 1.00 0.00 S ATOM 0 H CYS A 404 -15.010 -1.179 -3.522 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.738 -0.549 -0.917 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.689 -2.551 -1.957 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.420 -1.643 -3.431 1.00 0.00 H new ATOM 777 N THR A 405 -13.239 1.749 -1.756 1.00 0.00 N ATOM 778 CA THR A 405 -13.042 3.119 -2.231 1.00 0.00 C ATOM 779 C THR A 405 -12.036 3.883 -1.374 1.00 0.00 C ATOM 780 O THR A 405 -12.071 3.819 -0.146 1.00 0.00 O ATOM 781 CB THR A 405 -14.366 3.909 -2.245 1.00 0.00 C ATOM 782 OG1 THR A 405 -14.895 4.003 -0.917 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.389 3.246 -3.154 1.00 0.00 C ATOM 0 H THR A 405 -13.190 1.640 -0.743 1.00 0.00 H new ATOM 0 HA THR A 405 -12.655 3.030 -3.246 1.00 0.00 H new ATOM 0 HB THR A 405 -14.159 4.908 -2.628 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.411 3.195 -0.712 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.313 3.824 -3.145 1.00 0.00 H new ATOM 0 HG22 THR A 405 -14.998 3.203 -4.171 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.590 2.235 -2.799 1.00 0.00 H new ATOM 791 N LEU A 406 -11.148 4.614 -2.042 1.00 0.00 N ATOM 792 CA LEU A 406 -10.125 5.407 -1.374 1.00 0.00 C ATOM 793 C LEU A 406 -10.755 6.459 -0.472 1.00 0.00 C ATOM 794 O LEU A 406 -11.769 7.064 -0.819 1.00 0.00 O ATOM 795 CB LEU A 406 -9.233 6.077 -2.422 1.00 0.00 C ATOM 796 CG LEU A 406 -7.950 6.726 -1.905 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.233 8.060 -1.235 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.227 5.786 -0.961 1.00 0.00 C ATOM 0 H LEU A 406 -11.119 4.672 -3.060 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.522 4.746 -0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -8.962 5.330 -3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -9.820 6.840 -2.933 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.303 6.923 -2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.299 8.494 -0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -8.697 8.736 -1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -8.907 7.908 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.315 6.262 -0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -7.873 5.553 -0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -6.972 4.866 -1.488 1.00 0.00 H new ATOM 810 N ASP A 407 -10.139 6.676 0.682 1.00 0.00 N ATOM 811 CA ASP A 407 -10.627 7.656 1.631 1.00 0.00 C ATOM 812 C ASP A 407 -9.649 8.823 1.743 1.00 0.00 C ATOM 813 O ASP A 407 -8.444 8.626 1.877 1.00 0.00 O ATOM 814 CB ASP A 407 -10.853 6.993 2.986 1.00 0.00 C ATOM 815 CG ASP A 407 -9.661 6.194 3.465 1.00 0.00 C ATOM 816 OD1 ASP A 407 -8.553 6.401 2.934 1.00 0.00 O ATOM 817 OD2 ASP A 407 -9.832 5.380 4.396 1.00 0.00 O ATOM 0 H ASP A 407 -9.298 6.182 0.980 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.579 8.054 1.279 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.088 7.760 3.724 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -11.720 6.336 2.922 1.00 0.00 H new ATOM 822 N LYS A 408 -10.173 10.039 1.658 1.00 0.00 N ATOM 823 CA LYS A 408 -9.343 11.238 1.723 1.00 0.00 C ATOM 824 C LYS A 408 -8.761 11.461 3.117 1.00 0.00 C ATOM 825 O LYS A 408 -7.599 11.836 3.254 1.00 0.00 O ATOM 826 CB LYS A 408 -10.152 12.460 1.286 1.00 0.00 C ATOM 827 CG LYS A 408 -10.726 12.336 -0.119 1.00 0.00 C ATOM 828 CD LYS A 408 -9.629 12.165 -1.160 1.00 0.00 C ATOM 829 CE LYS A 408 -10.206 11.943 -2.550 1.00 0.00 C ATOM 830 NZ LYS A 408 -11.059 13.083 -2.987 1.00 0.00 N ATOM 0 H LYS A 408 -11.170 10.223 1.544 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.505 11.093 1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.968 12.617 1.991 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.515 13.344 1.334 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.404 11.484 -0.161 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.314 13.224 -0.352 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -8.992 13.049 -1.167 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -8.997 11.319 -0.888 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -9.393 11.804 -3.262 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -10.795 11.026 -2.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -11.294 12.975 -3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -11.935 13.096 -2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -10.545 13.976 -2.845 1.00 0.00 H new ATOM 844 N GLU A 409 -9.574 11.249 4.147 1.00 0.00 N ATOM 845 CA GLU A 409 -9.130 11.449 5.522 1.00 0.00 C ATOM 846 C GLU A 409 -7.966 10.525 5.885 1.00 0.00 C ATOM 847 O GLU A 409 -6.940 10.971 6.401 1.00 0.00 O ATOM 848 CB GLU A 409 -10.295 11.218 6.484 1.00 0.00 C ATOM 849 CG GLU A 409 -9.933 11.447 7.940 1.00 0.00 C ATOM 850 CD GLU A 409 -11.098 11.198 8.878 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.129 11.889 8.739 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.980 10.311 9.749 1.00 0.00 O ATOM 0 H GLU A 409 -10.542 10.939 4.056 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.778 12.477 5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.116 11.882 6.213 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.658 10.197 6.364 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -9.106 10.791 8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.582 12.471 8.066 1.00 0.00 H new ATOM 859 N GLU A 410 -8.133 9.236 5.621 1.00 0.00 N ATOM 860 CA GLU A 410 -7.095 8.256 5.932 1.00 0.00 C ATOM 861 C GLU A 410 -5.886 8.412 5.016 1.00 0.00 C ATOM 862 O GLU A 410 -4.748 8.370 5.478 1.00 0.00 O ATOM 863 CB GLU A 410 -7.644 6.832 5.832 1.00 0.00 C ATOM 864 CG GLU A 410 -8.489 6.398 7.022 1.00 0.00 C ATOM 865 CD GLU A 410 -9.757 7.216 7.188 1.00 0.00 C ATOM 866 OE1 GLU A 410 -9.652 8.415 7.518 1.00 0.00 O ATOM 867 OE2 GLU A 410 -10.854 6.655 6.987 1.00 0.00 O ATOM 0 H GLU A 410 -8.972 8.844 5.194 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.773 8.440 6.957 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.245 6.750 4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -6.808 6.140 5.724 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -8.755 5.347 6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -7.892 6.477 7.931 1.00 0.00 H new ATOM 874 N ALA A 411 -6.131 8.575 3.719 1.00 0.00 N ATOM 875 CA ALA A 411 -5.045 8.720 2.752 1.00 0.00 C ATOM 876 C ALA A 411 -4.202 9.962 3.028 1.00 0.00 C ATOM 877 O ALA A 411 -2.976 9.922 2.929 1.00 0.00 O ATOM 878 CB ALA A 411 -5.595 8.762 1.335 1.00 0.00 C ATOM 0 H ALA A 411 -7.066 8.610 3.314 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.397 7.850 2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.772 8.870 0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.133 7.838 1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.274 9.608 1.233 1.00 0.00 H new ATOM 884 N LYS A 412 -4.856 11.068 3.363 1.00 0.00 N ATOM 885 CA LYS A 412 -4.142 12.310 3.639 1.00 0.00 C ATOM 886 C LYS A 412 -3.222 12.138 4.845 1.00 0.00 C ATOM 887 O LYS A 412 -2.080 12.600 4.836 1.00 0.00 O ATOM 888 CB LYS A 412 -5.126 13.462 3.873 1.00 0.00 C ATOM 889 CG LYS A 412 -5.863 13.388 5.200 1.00 0.00 C ATOM 890 CD LYS A 412 -6.951 14.444 5.293 1.00 0.00 C ATOM 891 CE LYS A 412 -7.561 14.500 6.686 1.00 0.00 C ATOM 892 NZ LYS A 412 -6.548 14.840 7.724 1.00 0.00 N ATOM 0 H LYS A 412 -5.870 11.131 3.450 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.532 12.555 2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.583 14.406 3.823 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.856 13.472 3.064 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.304 12.398 5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.155 13.520 6.018 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -6.535 15.419 5.038 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.731 14.229 4.562 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -8.360 15.241 6.703 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -8.014 13.537 6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -6.956 15.519 8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -6.266 13.976 8.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -5.713 15.263 7.269 1.00 0.00 H new ATOM 906 N LYS A 413 -3.723 11.467 5.881 1.00 0.00 N ATOM 907 CA LYS A 413 -2.939 11.230 7.089 1.00 0.00 C ATOM 908 C LYS A 413 -1.842 10.197 6.842 1.00 0.00 C ATOM 909 O LYS A 413 -0.717 10.348 7.318 1.00 0.00 O ATOM 910 CB LYS A 413 -3.845 10.762 8.231 1.00 0.00 C ATOM 911 CG LYS A 413 -4.886 11.788 8.646 1.00 0.00 C ATOM 912 CD LYS A 413 -5.718 11.289 9.818 1.00 0.00 C ATOM 913 CE LYS A 413 -6.728 12.332 10.267 1.00 0.00 C ATOM 914 NZ LYS A 413 -7.554 11.851 11.409 1.00 0.00 N ATOM 0 H LYS A 413 -4.666 11.079 5.907 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.467 12.172 7.369 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -4.352 9.846 7.928 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -3.228 10.515 9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -4.392 12.720 8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -5.539 12.009 7.802 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -6.239 10.375 9.533 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -5.061 11.035 10.650 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -6.204 13.243 10.556 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -7.379 12.590 9.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -8.230 12.592 11.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -8.074 10.996 11.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -6.936 11.629 12.215 1.00 0.00 H new ATOM 928 N VAL A 414 -2.180 9.144 6.103 1.00 0.00 N ATOM 929 CA VAL A 414 -1.227 8.082 5.803 1.00 0.00 C ATOM 930 C VAL A 414 -0.034 8.625 5.023 1.00 0.00 C ATOM 931 O VAL A 414 1.107 8.227 5.256 1.00 0.00 O ATOM 932 CB VAL A 414 -1.883 6.926 5.020 1.00 0.00 C ATOM 933 CG1 VAL A 414 -1.975 7.259 3.550 1.00 0.00 C ATOM 934 CG2 VAL A 414 -1.118 5.630 5.236 1.00 0.00 C ATOM 0 H VAL A 414 -3.107 9.004 5.701 1.00 0.00 H new ATOM 0 HA VAL A 414 -0.879 7.689 6.758 1.00 0.00 H new ATOM 0 HB VAL A 414 -2.896 6.789 5.398 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -2.441 6.430 3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -2.576 8.159 3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -0.975 7.429 3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.597 4.827 4.675 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -0.091 5.752 4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.117 5.381 6.297 1.00 0.00 H new ATOM 944 N ALA A 415 -0.311 9.540 4.101 1.00 0.00 N ATOM 945 CA ALA A 415 0.732 10.148 3.287 1.00 0.00 C ATOM 946 C ALA A 415 1.590 11.091 4.123 1.00 0.00 C ATOM 947 O ALA A 415 2.808 11.148 3.958 1.00 0.00 O ATOM 948 CB ALA A 415 0.117 10.892 2.112 1.00 0.00 C ATOM 0 H ALA A 415 -1.252 9.877 3.899 1.00 0.00 H new ATOM 0 HA ALA A 415 1.373 9.355 2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 415 0.908 11.342 1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.453 10.195 1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.546 11.674 2.483 1.00 0.00 H new ATOM 954 N ASP A 416 0.940 11.833 5.017 1.00 0.00 N ATOM 955 CA ASP A 416 1.640 12.781 5.877 1.00 0.00 C ATOM 956 C ASP A 416 2.667 12.082 6.746 1.00 0.00 C ATOM 957 O ASP A 416 3.873 12.272 6.592 1.00 0.00 O ATOM 958 CB ASP A 416 0.642 13.540 6.753 1.00 0.00 C ATOM 959 CG ASP A 416 1.319 14.542 7.669 1.00 0.00 C ATOM 960 OD1 ASP A 416 1.991 15.459 7.152 1.00 0.00 O ATOM 961 OD2 ASP A 416 1.176 14.411 8.903 1.00 0.00 O ATOM 0 H ASP A 416 -0.069 11.795 5.164 1.00 0.00 H new ATOM 0 HA ASP A 416 2.164 13.489 5.236 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.074 14.060 6.116 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.076 12.828 7.354 1.00 0.00 H new ATOM 966 N GLU A 417 2.165 11.272 7.651 1.00 0.00 N ATOM 967 CA GLU A 417 3.007 10.514 8.577 1.00 0.00 C ATOM 968 C GLU A 417 2.303 9.241 9.041 1.00 0.00 C ATOM 969 O GLU A 417 2.380 8.873 10.213 1.00 0.00 O ATOM 970 CB GLU A 417 3.371 11.368 9.797 1.00 0.00 C ATOM 971 CG GLU A 417 4.213 12.591 9.471 1.00 0.00 C ATOM 972 CD GLU A 417 4.556 13.411 10.699 1.00 0.00 C ATOM 973 OE1 GLU A 417 5.209 12.865 11.614 1.00 0.00 O ATOM 974 OE2 GLU A 417 4.172 14.598 10.748 1.00 0.00 O ATOM 0 H GLU A 417 1.165 11.114 7.774 1.00 0.00 H new ATOM 0 HA GLU A 417 3.918 10.239 8.045 1.00 0.00 H new ATOM 0 HB2 GLU A 417 2.453 11.693 10.287 1.00 0.00 H new ATOM 0 HB3 GLU A 417 3.912 10.748 10.512 1.00 0.00 H new ATOM 0 HG2 GLU A 417 5.134 12.273 8.983 1.00 0.00 H new ATOM 0 HG3 GLU A 417 3.675 13.218 8.759 1.00 0.00 H new ATOM 981 N THR A 418 1.619 8.578 8.112 1.00 0.00 N ATOM 982 CA THR A 418 0.896 7.344 8.410 1.00 0.00 C ATOM 983 C THR A 418 -0.026 7.521 9.613 1.00 0.00 C ATOM 984 O THR A 418 -0.269 6.577 10.365 1.00 0.00 O ATOM 985 CB THR A 418 1.856 6.166 8.674 1.00 0.00 C ATOM 986 OG1 THR A 418 2.637 6.413 9.850 1.00 0.00 O ATOM 987 CG2 THR A 418 2.781 5.948 7.486 1.00 0.00 C ATOM 0 H THR A 418 1.550 8.877 7.139 1.00 0.00 H new ATOM 0 HA THR A 418 0.297 7.114 7.529 1.00 0.00 H new ATOM 0 HB THR A 418 1.255 5.269 8.823 1.00 0.00 H new ATOM 0 HG1 THR A 418 2.304 7.217 10.301 1.00 0.00 H new ATOM 0 HG21 THR A 418 3.449 5.113 7.694 1.00 0.00 H new ATOM 0 HG22 THR A 418 2.188 5.726 6.599 1.00 0.00 H new ATOM 0 HG23 THR A 418 3.369 6.849 7.313 1.00 0.00 H new ATOM 995 N ALA A 419 -0.542 8.736 9.778 1.00 0.00 N ATOM 996 CA ALA A 419 -1.445 9.046 10.880 1.00 0.00 C ATOM 997 C ALA A 419 -0.846 8.630 12.220 1.00 0.00 C ATOM 998 O ALA A 419 -1.555 8.164 13.113 1.00 0.00 O ATOM 999 CB ALA A 419 -2.786 8.365 10.658 1.00 0.00 C ATOM 0 H ALA A 419 -0.349 9.524 9.160 1.00 0.00 H new ATOM 0 HA ALA A 419 -1.595 10.125 10.907 1.00 0.00 H new ATOM 0 HB1 ALA A 419 -3.455 8.601 11.485 1.00 0.00 H new ATOM 0 HB2 ALA A 419 -3.224 8.719 9.725 1.00 0.00 H new ATOM 0 HB3 ALA A 419 -2.642 7.286 10.605 1.00 0.00 H new ATOM 1005 N LYS A 420 0.464 8.807 12.353 1.00 0.00 N ATOM 1006 CA LYS A 420 1.168 8.459 13.574 1.00 0.00 C ATOM 1007 C LYS A 420 0.906 9.490 14.667 1.00 0.00 C ATOM 1008 O LYS A 420 0.673 9.136 15.823 1.00 0.00 O ATOM 1009 CB LYS A 420 2.666 8.356 13.287 1.00 0.00 C ATOM 1010 CG LYS A 420 3.509 8.106 14.520 1.00 0.00 C ATOM 1011 CD LYS A 420 3.179 6.770 15.168 1.00 0.00 C ATOM 1012 CE LYS A 420 4.034 6.524 16.400 1.00 0.00 C ATOM 1013 NZ LYS A 420 3.719 5.216 17.042 1.00 0.00 N ATOM 0 H LYS A 420 1.061 9.193 11.621 1.00 0.00 H new ATOM 0 HA LYS A 420 0.801 7.496 13.928 1.00 0.00 H new ATOM 0 HB2 LYS A 420 2.835 7.550 12.573 1.00 0.00 H new ATOM 0 HB3 LYS A 420 3.000 9.278 12.811 1.00 0.00 H new ATOM 0 HG2 LYS A 420 4.565 8.128 14.249 1.00 0.00 H new ATOM 0 HG3 LYS A 420 3.348 8.909 15.240 1.00 0.00 H new ATOM 0 HD2 LYS A 420 2.125 6.749 15.445 1.00 0.00 H new ATOM 0 HD3 LYS A 420 3.336 5.966 14.448 1.00 0.00 H new ATOM 0 HE2 LYS A 420 5.088 6.548 16.122 1.00 0.00 H new ATOM 0 HE3 LYS A 420 3.876 7.329 17.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 4.323 5.085 17.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 2.720 5.203 17.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 3.894 4.446 16.365 1.00 0.00 H new ATOM 1027 N ASP A 421 0.951 10.766 14.283 1.00 0.00 N ATOM 1028 CA ASP A 421 0.725 11.880 15.207 1.00 0.00 C ATOM 1029 C ASP A 421 1.451 11.664 16.533 1.00 0.00 C ATOM 1030 O ASP A 421 0.962 12.057 17.592 1.00 0.00 O ATOM 1031 CB ASP A 421 -0.776 12.092 15.447 1.00 0.00 C ATOM 1032 CG ASP A 421 -1.459 10.886 16.063 1.00 0.00 C ATOM 1033 OD1 ASP A 421 -1.099 10.513 17.200 1.00 0.00 O ATOM 1034 OD2 ASP A 421 -2.356 10.315 15.409 1.00 0.00 O ATOM 0 H ASP A 421 1.145 11.057 13.325 1.00 0.00 H new ATOM 0 HA ASP A 421 1.134 12.778 14.744 1.00 0.00 H new ATOM 0 HB2 ASP A 421 -0.915 12.953 16.101 1.00 0.00 H new ATOM 0 HB3 ASP A 421 -1.259 12.330 14.499 1.00 0.00 H new ATOM 1039 N GLY A 422 2.623 11.040 16.464 1.00 0.00 N ATOM 1040 CA GLY A 422 3.400 10.786 17.664 1.00 0.00 C ATOM 1041 C GLY A 422 4.193 11.998 18.112 1.00 0.00 C ATOM 1042 O GLY A 422 4.170 12.362 19.289 1.00 0.00 O ATOM 0 H GLY A 422 3.048 10.706 15.599 1.00 0.00 H new ATOM 0 HA2 GLY A 422 2.731 10.477 18.467 1.00 0.00 H new ATOM 0 HA3 GLY A 422 4.083 9.957 17.481 1.00 0.00 H new ATOM 1046 N LYS A 423 4.899 12.621 17.173 1.00 0.00 N ATOM 1047 CA LYS A 423 5.710 13.796 17.474 1.00 0.00 C ATOM 1048 C LYS A 423 4.822 14.963 17.903 1.00 0.00 C ATOM 1049 O LYS A 423 3.921 15.372 17.171 1.00 0.00 O ATOM 1050 CB LYS A 423 6.551 14.174 16.247 1.00 0.00 C ATOM 1051 CG LYS A 423 7.621 15.228 16.510 1.00 0.00 C ATOM 1052 CD LYS A 423 7.035 16.627 16.620 1.00 0.00 C ATOM 1053 CE LYS A 423 8.120 17.669 16.846 1.00 0.00 C ATOM 1054 NZ LYS A 423 9.094 17.712 15.720 1.00 0.00 N ATOM 0 H LYS A 423 4.926 12.331 16.195 1.00 0.00 H new ATOM 0 HA LYS A 423 6.381 13.563 18.300 1.00 0.00 H new ATOM 0 HB2 LYS A 423 7.032 13.275 15.862 1.00 0.00 H new ATOM 0 HB3 LYS A 423 5.885 14.539 15.465 1.00 0.00 H new ATOM 0 HG2 LYS A 423 8.150 14.984 17.431 1.00 0.00 H new ATOM 0 HG3 LYS A 423 8.356 15.206 15.705 1.00 0.00 H new ATOM 0 HD2 LYS A 423 6.485 16.865 15.710 1.00 0.00 H new ATOM 0 HD3 LYS A 423 6.320 16.660 17.442 1.00 0.00 H new ATOM 0 HE2 LYS A 423 7.661 18.650 16.966 1.00 0.00 H new ATOM 0 HE3 LYS A 423 8.648 17.448 17.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 9.657 18.584 15.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 9.726 16.888 15.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 8.580 17.694 14.816 1.00 0.00 H new ATOM 1068 N THR A 424 5.087 15.495 19.093 1.00 0.00 N ATOM 1069 CA THR A 424 4.314 16.615 19.619 1.00 0.00 C ATOM 1070 C THR A 424 4.793 17.937 19.028 1.00 0.00 C ATOM 1071 O THR A 424 5.993 18.215 18.997 1.00 0.00 O ATOM 1072 CB THR A 424 4.403 16.688 21.155 1.00 0.00 C ATOM 1073 OG1 THR A 424 3.938 15.462 21.731 1.00 0.00 O ATOM 1074 CG2 THR A 424 3.579 17.849 21.694 1.00 0.00 C ATOM 0 H THR A 424 5.830 15.169 19.710 1.00 0.00 H new ATOM 0 HA THR A 424 3.276 16.446 19.332 1.00 0.00 H new ATOM 0 HB THR A 424 5.446 16.847 21.427 1.00 0.00 H new ATOM 0 HG1 THR A 424 3.999 15.515 22.708 1.00 0.00 H new ATOM 0 HG21 THR A 424 3.659 17.878 22.781 1.00 0.00 H new ATOM 0 HG22 THR A 424 3.952 18.784 21.277 1.00 0.00 H new ATOM 0 HG23 THR A 424 2.535 17.717 21.410 1.00 0.00 H new ATOM 1082 N GLY A 425 3.850 18.749 18.562 1.00 0.00 N ATOM 1083 CA GLY A 425 4.198 20.033 17.979 1.00 0.00 C ATOM 1084 C GLY A 425 4.916 20.942 18.959 1.00 0.00 C ATOM 1085 O GLY A 425 4.466 21.125 20.090 1.00 0.00 O ATOM 0 H GLY A 425 2.851 18.542 18.577 1.00 0.00 H new ATOM 0 HA2 GLY A 425 4.832 19.872 17.107 1.00 0.00 H new ATOM 0 HA3 GLY A 425 3.292 20.526 17.628 1.00 0.00 H new ATOM 1089 N ASN A 426 6.037 21.510 18.524 1.00 0.00 N ATOM 1090 CA ASN A 426 6.821 22.404 19.368 1.00 0.00 C ATOM 1091 C ASN A 426 6.045 23.676 19.691 1.00 0.00 C ATOM 1092 O ASN A 426 5.418 24.272 18.815 1.00 0.00 O ATOM 1093 CB ASN A 426 8.144 22.757 18.688 1.00 0.00 C ATOM 1094 CG ASN A 426 9.009 21.537 18.441 1.00 0.00 C ATOM 1095 OD1 ASN A 426 8.612 20.614 17.730 1.00 0.00 O ATOM 1096 ND2 ASN A 426 10.199 21.526 19.030 1.00 0.00 N ATOM 0 H ASN A 426 6.423 21.366 17.591 1.00 0.00 H new ATOM 0 HA ASN A 426 7.030 21.883 20.303 1.00 0.00 H new ATOM 0 HB2 ASN A 426 7.941 23.253 17.739 1.00 0.00 H new ATOM 0 HB3 ASN A 426 8.690 23.467 19.309 1.00 0.00 H new ATOM 0 HD21 ASN A 426 10.824 20.731 18.901 1.00 0.00 H new ATOM 0 HD22 ASN A 426 10.488 22.313 19.611 1.00 0.00 H new ATOM 1103 N THR A 427 6.096 24.086 20.956 1.00 0.00 N ATOM 1104 CA THR A 427 5.403 25.289 21.403 1.00 0.00 C ATOM 1105 C THR A 427 5.736 25.602 22.859 1.00 0.00 C ATOM 1106 O THR A 427 5.742 24.712 23.711 1.00 0.00 O ATOM 1107 CB THR A 427 3.875 25.151 21.253 1.00 0.00 C ATOM 1108 OG1 THR A 427 3.223 26.323 21.757 1.00 0.00 O ATOM 1109 CG2 THR A 427 3.364 23.923 21.992 1.00 0.00 C ATOM 0 H THR A 427 6.612 23.601 21.690 1.00 0.00 H new ATOM 0 HA THR A 427 5.746 26.106 20.769 1.00 0.00 H new ATOM 0 HB THR A 427 3.648 25.037 20.193 1.00 0.00 H new ATOM 0 HG1 THR A 427 2.253 26.227 21.656 1.00 0.00 H new ATOM 0 HG21 THR A 427 2.283 23.849 21.870 1.00 0.00 H new ATOM 0 HG22 THR A 427 3.837 23.030 21.584 1.00 0.00 H new ATOM 0 HG23 THR A 427 3.605 24.010 23.052 1.00 0.00 H new ATOM 1117 N ASN A 428 6.013 26.874 23.134 1.00 0.00 N ATOM 1118 CA ASN A 428 6.348 27.317 24.480 1.00 0.00 C ATOM 1119 C ASN A 428 6.549 28.829 24.516 1.00 0.00 C ATOM 1120 O ASN A 428 6.036 29.512 25.403 1.00 0.00 O ATOM 1121 CB ASN A 428 7.613 26.612 24.978 1.00 0.00 C ATOM 1122 CG ASN A 428 7.992 27.031 26.385 1.00 0.00 C ATOM 1123 OD1 ASN A 428 9.188 27.588 26.534 1.00 0.00 O flip ATOM 1124 ND2 ASN A 428 7.219 26.855 27.326 1.00 0.00 N flip ATOM 0 H ASN A 428 6.011 27.618 22.436 1.00 0.00 H new ATOM 0 HA ASN A 428 5.517 27.059 25.137 1.00 0.00 H new ATOM 0 HB2 ASN A 428 7.459 25.533 24.952 1.00 0.00 H new ATOM 0 HB3 ASN A 428 8.439 26.832 24.301 1.00 0.00 H new ATOM 0 HD21 ASN A 428 6.309 26.423 27.165 1.00 0.00 H new ATOM 0 HD22 ASN A 428 7.488 27.141 28.267 1.00 0.00 H new ATOM 1131 N THR A 429 7.294 29.343 23.541 1.00 0.00 N ATOM 1132 CA THR A 429 7.566 30.774 23.450 1.00 0.00 C ATOM 1133 C THR A 429 7.699 31.210 21.995 1.00 0.00 C ATOM 1134 O THR A 429 8.448 30.609 21.224 1.00 0.00 O ATOM 1135 CB THR A 429 8.856 31.157 24.202 1.00 0.00 C ATOM 1136 OG1 THR A 429 9.967 30.423 23.673 1.00 0.00 O ATOM 1137 CG2 THR A 429 8.726 30.884 25.693 1.00 0.00 C ATOM 0 H THR A 429 7.721 28.787 22.800 1.00 0.00 H new ATOM 0 HA THR A 429 6.721 31.285 23.913 1.00 0.00 H new ATOM 0 HB THR A 429 9.023 32.225 24.062 1.00 0.00 H new ATOM 0 HG1 THR A 429 9.800 30.211 22.731 1.00 0.00 H new ATOM 0 HG21 THR A 429 9.651 31.164 26.196 1.00 0.00 H new ATOM 0 HG22 THR A 429 7.901 31.469 26.099 1.00 0.00 H new ATOM 0 HG23 THR A 429 8.533 29.823 25.853 1.00 0.00 H new ATOM 1145 N THR A 430 6.967 32.260 21.629 1.00 0.00 N ATOM 1146 CA THR A 430 6.996 32.783 20.268 1.00 0.00 C ATOM 1147 C THR A 430 6.678 31.679 19.260 1.00 0.00 C ATOM 1148 O THR A 430 7.365 31.520 18.249 1.00 0.00 O ATOM 1149 CB THR A 430 8.367 33.407 19.935 1.00 0.00 C ATOM 1150 OG1 THR A 430 8.765 34.298 20.984 1.00 0.00 O ATOM 1151 CG2 THR A 430 8.311 34.175 18.621 1.00 0.00 C ATOM 0 H THR A 430 6.345 32.766 22.260 1.00 0.00 H new ATOM 0 HA THR A 430 6.236 33.561 20.201 1.00 0.00 H new ATOM 0 HB THR A 430 9.092 32.599 19.840 1.00 0.00 H new ATOM 0 HG1 THR A 430 9.637 34.690 20.767 1.00 0.00 H new ATOM 0 HG21 THR A 430 9.290 34.605 18.409 1.00 0.00 H new ATOM 0 HG22 THR A 430 8.030 33.497 17.815 1.00 0.00 H new ATOM 0 HG23 THR A 430 7.573 34.973 18.697 1.00 0.00 H new ATOM 1159 N GLY A 431 5.634 30.908 19.550 1.00 0.00 N ATOM 1160 CA GLY A 431 5.247 29.822 18.670 1.00 0.00 C ATOM 1161 C GLY A 431 6.262 28.699 18.680 1.00 0.00 C ATOM 1162 O GLY A 431 6.712 28.273 19.745 1.00 0.00 O ATOM 0 H GLY A 431 5.050 31.017 20.379 1.00 0.00 H new ATOM 0 HA2 GLY A 431 4.275 29.436 18.976 1.00 0.00 H new ATOM 0 HA3 GLY A 431 5.134 30.200 17.654 1.00 0.00 H new ATOM 1166 N SER A 432 6.629 28.218 17.498 1.00 0.00 N ATOM 1167 CA SER A 432 7.603 27.141 17.391 1.00 0.00 C ATOM 1168 C SER A 432 8.966 27.601 17.898 1.00 0.00 C ATOM 1169 O SER A 432 9.614 28.450 17.284 1.00 0.00 O ATOM 1170 CB SER A 432 7.715 26.665 15.942 1.00 0.00 C ATOM 1171 OG SER A 432 8.111 27.723 15.085 1.00 0.00 O ATOM 0 H SER A 432 6.269 28.555 16.605 1.00 0.00 H new ATOM 0 HA SER A 432 7.264 26.309 18.008 1.00 0.00 H new ATOM 0 HB2 SER A 432 8.438 25.852 15.878 1.00 0.00 H new ATOM 0 HB3 SER A 432 6.756 26.266 15.612 1.00 0.00 H new ATOM 0 HG SER A 432 8.767 28.288 15.544 1.00 0.00 H new ATOM 1177 N SER A 433 9.392 27.037 19.023 1.00 0.00 N ATOM 1178 CA SER A 433 10.676 27.388 19.619 1.00 0.00 C ATOM 1179 C SER A 433 11.827 27.033 18.683 1.00 0.00 C ATOM 1180 O SER A 433 11.656 26.111 17.857 1.00 0.00 O ATOM 1181 CB SER A 433 10.855 26.671 20.959 1.00 0.00 C ATOM 1182 OG SER A 433 9.833 27.034 21.872 1.00 0.00 O ATOM 1183 OXT SER A 433 12.892 27.679 18.783 1.00 0.00 O ATOM 0 H SER A 433 8.866 26.334 19.541 1.00 0.00 H new ATOM 0 HA SER A 433 10.686 28.465 19.787 1.00 0.00 H new ATOM 0 HB2 SER A 433 10.841 25.592 20.803 1.00 0.00 H new ATOM 0 HB3 SER A 433 11.829 26.919 21.381 1.00 0.00 H new ATOM 0 HG SER A 433 9.969 26.561 22.720 1.00 0.00 H new TER 1189 SER A 433