USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=26 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 428 ASN : amide:sc= -0.549 K(o=-0.55,f=-2.5) USER MOD Set 1.2: A 429 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 386 GLN : amide:sc= -0.0301 X(o=-0.08,f=0.079) USER MOD Set 2.2: A 402 LYS NZ :NH3+ -110:sc= -0.0502 (180deg=-0.26) USER MOD Set 3.1: A 396 HIS : no HE2:sc= 0.296 K(o=0.61,f=-1.2) USER MOD Set 3.2: A 405 THR OG1 : rot -85:sc= 0.313 USER MOD Set 4.1: A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 390 LYS NZ :NH3+ 134:sc= -0.577 (180deg=-1.14) USER MOD Set 5.1: A 364 LYS NZ :NH3+ -134:sc= 0.035 (180deg=-0.201) USER MOD Set 5.2: A 365 HIS :FLIP no HD1:sc= 0.0585 F(o=-1.1,f=0.094) USER MOD Single : A 355 SER OG : rot 180:sc= -0.0156 USER MOD Single : A 356 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 357 MET CE :methyl -159:sc= -0.164 (180deg=-0.714) USER MOD Single : A 362 THR OG1 : rot 180:sc= 0 USER MOD Single : A 363 GLN : amide:sc= -0.082 X(o=-0.082,f=-0.082) USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 370 SER OG : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= -1.87 K(o=-1.9,f=-2.5) USER MOD Single : A 372 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 373 GLN :FLIP amide:sc= -1.79 F(o=-5.9!,f=-1.8) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 SER OG : rot 180:sc= 0 USER MOD Single : A 382 ASN :FLIP amide:sc= -4.55! C(o=-10!,f=-4.5!) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 387 ASN : amide:sc= -0.0149 X(o=-0.015,f=-0.015) 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= 0.0973 K(o=0.097,f=-3!) USER MOD Single : A 401 ASN : amide:sc= -1.17 X(o=-1.2,f=-1.3) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ 148:sc= -3.48! (180deg=-5.77!) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 LYS NZ :NH3+ 167:sc= -0.034 (180deg=-0.228) USER MOD Single : A 418 THR OG1 : rot -52:sc= 0.915 USER MOD Single : A 420 LYS NZ :NH3+ -165:sc= -0.0389 (180deg=-0.356) USER MOD Single : A 423 LYS NZ :NH3+ 169:sc= -0.0226 (180deg=-0.183) USER MOD Single : A 424 THR OG1 : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc= -0.82 K(o=-0.82,f=-3.1!) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 THR OG1 : rot -57:sc= 0.818 USER MOD Single : A 432 SER OG : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 29:sc= 0.765 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 9.466 -6.722 -5.213 1.00 0.00 N ATOM 2 CA GLY A 354 9.342 -7.654 -4.059 1.00 0.00 C ATOM 3 C GLY A 354 8.155 -8.588 -4.191 1.00 0.00 C ATOM 4 O GLY A 354 7.896 -9.123 -5.269 1.00 0.00 O ATOM 0 HA2 GLY A 354 10.255 -8.243 -3.972 1.00 0.00 H new ATOM 0 HA3 GLY A 354 9.246 -7.077 -3.139 1.00 0.00 H new ATOM 10 N SER A 355 7.434 -8.783 -3.091 1.00 0.00 N ATOM 11 CA SER A 355 6.268 -9.658 -3.085 1.00 0.00 C ATOM 12 C SER A 355 5.132 -9.066 -3.914 1.00 0.00 C ATOM 13 O SER A 355 4.498 -9.765 -4.705 1.00 0.00 O ATOM 14 CB SER A 355 5.795 -9.902 -1.651 1.00 0.00 C ATOM 15 OG SER A 355 5.432 -8.686 -1.020 1.00 0.00 O ATOM 0 H SER A 355 7.637 -8.346 -2.192 1.00 0.00 H new ATOM 0 HA SER A 355 6.559 -10.608 -3.532 1.00 0.00 H new ATOM 0 HB2 SER A 355 4.942 -10.581 -1.657 1.00 0.00 H new ATOM 0 HB3 SER A 355 6.587 -10.389 -1.081 1.00 0.00 H new ATOM 0 HG SER A 355 5.132 -8.869 -0.105 1.00 0.00 H new ATOM 21 N HIS A 356 4.877 -7.774 -3.725 1.00 0.00 N ATOM 22 CA HIS A 356 3.816 -7.086 -4.452 1.00 0.00 C ATOM 23 C HIS A 356 4.076 -7.113 -5.956 1.00 0.00 C ATOM 24 O HIS A 356 5.200 -6.884 -6.405 1.00 0.00 O ATOM 25 CB HIS A 356 3.694 -5.640 -3.967 1.00 0.00 C ATOM 26 CG HIS A 356 2.567 -4.889 -4.601 1.00 0.00 C ATOM 27 ND1 HIS A 356 1.248 -5.281 -4.496 1.00 0.00 N ATOM 28 CD2 HIS A 356 2.563 -3.762 -5.353 1.00 0.00 C ATOM 29 CE1 HIS A 356 0.484 -4.431 -5.158 1.00 0.00 C ATOM 30 NE2 HIS A 356 1.257 -3.500 -5.686 1.00 0.00 N ATOM 0 H HIS A 356 5.392 -7.182 -3.073 1.00 0.00 H new ATOM 0 HA HIS A 356 2.879 -7.608 -4.257 1.00 0.00 H new ATOM 0 HB2 HIS A 356 3.558 -5.639 -2.886 1.00 0.00 H new ATOM 0 HB3 HIS A 356 4.628 -5.117 -4.171 1.00 0.00 H new ATOM 0 HD2 HIS A 356 3.426 -3.179 -5.637 1.00 0.00 H new ATOM 0 HE1 HIS A 356 -0.590 -4.488 -5.252 1.00 0.00 H new ATOM 0 HE2 HIS A 356 0.936 -2.713 -6.250 1.00 0.00 H new ATOM 39 N MET A 357 3.031 -7.396 -6.728 1.00 0.00 N ATOM 40 CA MET A 357 3.143 -7.457 -8.182 1.00 0.00 C ATOM 41 C MET A 357 3.460 -6.083 -8.768 1.00 0.00 C ATOM 42 O MET A 357 2.835 -5.084 -8.413 1.00 0.00 O ATOM 43 CB MET A 357 1.849 -8.001 -8.790 1.00 0.00 C ATOM 44 CG MET A 357 1.888 -8.121 -10.306 1.00 0.00 C ATOM 45 SD MET A 357 0.369 -8.811 -10.989 1.00 0.00 S ATOM 46 CE MET A 357 0.358 -10.431 -10.224 1.00 0.00 C ATOM 0 H MET A 357 2.095 -7.587 -6.370 1.00 0.00 H new ATOM 0 HA MET A 357 3.964 -8.130 -8.429 1.00 0.00 H new ATOM 0 HB2 MET A 357 1.641 -8.982 -8.362 1.00 0.00 H new ATOM 0 HB3 MET A 357 1.023 -7.349 -8.507 1.00 0.00 H new ATOM 0 HG2 MET A 357 2.062 -7.136 -10.740 1.00 0.00 H new ATOM 0 HG3 MET A 357 2.730 -8.750 -10.595 1.00 0.00 H new ATOM 0 HE1 MET A 357 -0.276 -11.102 -10.803 1.00 0.00 H new ATOM 0 HE2 MET A 357 1.373 -10.826 -10.195 1.00 0.00 H new ATOM 0 HE3 MET A 357 -0.030 -10.351 -9.208 1.00 0.00 H new ATOM 56 N LEU A 358 4.436 -6.047 -9.671 1.00 0.00 N ATOM 57 CA LEU A 358 4.844 -4.804 -10.316 1.00 0.00 C ATOM 58 C LEU A 358 3.776 -4.306 -11.287 1.00 0.00 C ATOM 59 O LEU A 358 3.050 -5.101 -11.885 1.00 0.00 O ATOM 60 CB LEU A 358 6.185 -4.996 -11.038 1.00 0.00 C ATOM 61 CG LEU A 358 6.262 -6.188 -12.002 1.00 0.00 C ATOM 62 CD1 LEU A 358 5.496 -5.909 -13.286 1.00 0.00 C ATOM 63 CD2 LEU A 358 7.713 -6.524 -12.311 1.00 0.00 C ATOM 0 H LEU A 358 4.960 -6.868 -9.973 1.00 0.00 H new ATOM 0 HA LEU A 358 4.967 -4.046 -9.543 1.00 0.00 H new ATOM 0 HB2 LEU A 358 6.409 -4.087 -11.596 1.00 0.00 H new ATOM 0 HB3 LEU A 358 6.967 -5.109 -10.287 1.00 0.00 H new ATOM 0 HG LEU A 358 5.798 -7.046 -11.515 1.00 0.00 H new ATOM 0 HD11 LEU A 358 5.569 -6.772 -13.948 1.00 0.00 H new ATOM 0 HD12 LEU A 358 4.449 -5.720 -13.051 1.00 0.00 H new ATOM 0 HD13 LEU A 358 5.920 -5.035 -13.780 1.00 0.00 H new ATOM 0 HD21 LEU A 358 7.752 -7.371 -12.996 1.00 0.00 H new ATOM 0 HD22 LEU A 358 8.196 -5.662 -12.772 1.00 0.00 H new ATOM 0 HD23 LEU A 358 8.232 -6.780 -11.387 1.00 0.00 H new ATOM 75 N GLU A 359 3.684 -2.986 -11.439 1.00 0.00 N ATOM 76 CA GLU A 359 2.705 -2.387 -12.341 1.00 0.00 C ATOM 77 C GLU A 359 2.932 -0.888 -12.478 1.00 0.00 C ATOM 78 O GLU A 359 2.939 -0.344 -13.582 1.00 0.00 O ATOM 79 CB GLU A 359 1.282 -2.670 -11.842 1.00 0.00 C ATOM 80 CG GLU A 359 0.186 -2.218 -12.799 1.00 0.00 C ATOM 81 CD GLU A 359 -0.115 -0.732 -12.711 1.00 0.00 C ATOM 82 OE1 GLU A 359 0.406 -0.069 -11.789 1.00 0.00 O ATOM 83 OE2 GLU A 359 -0.889 -0.234 -13.556 1.00 0.00 O ATOM 0 H GLU A 359 4.274 -2.313 -10.950 1.00 0.00 H new ATOM 0 HA GLU A 359 2.829 -2.837 -13.326 1.00 0.00 H new ATOM 0 HB2 GLU A 359 1.177 -3.740 -11.665 1.00 0.00 H new ATOM 0 HB3 GLU A 359 1.139 -2.173 -10.882 1.00 0.00 H new ATOM 0 HG2 GLU A 359 0.481 -2.462 -13.819 1.00 0.00 H new ATOM 0 HG3 GLU A 359 -0.725 -2.779 -12.588 1.00 0.00 H new ATOM 90 N VAL A 360 3.113 -0.234 -11.346 1.00 0.00 N ATOM 91 CA VAL A 360 3.337 1.209 -11.314 1.00 0.00 C ATOM 92 C VAL A 360 4.766 1.564 -11.723 1.00 0.00 C ATOM 93 O VAL A 360 5.725 0.932 -11.278 1.00 0.00 O ATOM 94 CB VAL A 360 3.047 1.790 -9.914 1.00 0.00 C ATOM 95 CG1 VAL A 360 3.946 1.153 -8.866 1.00 0.00 C ATOM 96 CG2 VAL A 360 3.209 3.303 -9.919 1.00 0.00 C ATOM 0 H VAL A 360 3.110 -0.678 -10.428 1.00 0.00 H new ATOM 0 HA VAL A 360 2.646 1.650 -12.033 1.00 0.00 H new ATOM 0 HB VAL A 360 2.014 1.558 -9.656 1.00 0.00 H new ATOM 0 HG11 VAL A 360 3.723 1.579 -7.888 1.00 0.00 H new ATOM 0 HG12 VAL A 360 3.771 0.077 -8.842 1.00 0.00 H new ATOM 0 HG13 VAL A 360 4.989 1.346 -9.116 1.00 0.00 H new ATOM 0 HG21 VAL A 360 3.000 3.695 -8.923 1.00 0.00 H new ATOM 0 HG22 VAL A 360 4.230 3.559 -10.203 1.00 0.00 H new ATOM 0 HG23 VAL A 360 2.513 3.741 -10.634 1.00 0.00 H new ATOM 106 N LEU A 361 4.898 2.586 -12.568 1.00 0.00 N ATOM 107 CA LEU A 361 6.206 3.039 -13.039 1.00 0.00 C ATOM 108 C LEU A 361 6.063 4.253 -13.953 1.00 0.00 C ATOM 109 O LEU A 361 5.241 4.256 -14.870 1.00 0.00 O ATOM 110 CB LEU A 361 6.930 1.913 -13.785 1.00 0.00 C ATOM 111 CG LEU A 361 8.334 2.261 -14.285 1.00 0.00 C ATOM 112 CD1 LEU A 361 9.255 2.586 -13.119 1.00 0.00 C ATOM 113 CD2 LEU A 361 8.904 1.119 -15.112 1.00 0.00 C ATOM 0 H LEU A 361 4.112 3.118 -12.941 1.00 0.00 H new ATOM 0 HA LEU A 361 6.795 3.324 -12.167 1.00 0.00 H new ATOM 0 HB2 LEU A 361 7.001 1.048 -13.125 1.00 0.00 H new ATOM 0 HB3 LEU A 361 6.321 1.614 -14.638 1.00 0.00 H new ATOM 0 HG LEU A 361 8.261 3.144 -14.920 1.00 0.00 H new ATOM 0 HD11 LEU A 361 10.248 2.830 -13.497 1.00 0.00 H new ATOM 0 HD12 LEU A 361 8.857 3.438 -12.567 1.00 0.00 H new ATOM 0 HD13 LEU A 361 9.321 1.723 -12.456 1.00 0.00 H new ATOM 0 HD21 LEU A 361 9.903 1.384 -15.459 1.00 0.00 H new ATOM 0 HD22 LEU A 361 8.960 0.219 -14.500 1.00 0.00 H new ATOM 0 HD23 LEU A 361 8.259 0.934 -15.971 1.00 0.00 H new ATOM 125 N THR A 362 6.873 5.280 -13.702 1.00 0.00 N ATOM 126 CA THR A 362 6.843 6.499 -14.503 1.00 0.00 C ATOM 127 C THR A 362 8.215 7.162 -14.540 1.00 0.00 C ATOM 128 O THR A 362 8.830 7.400 -13.500 1.00 0.00 O ATOM 129 CB THR A 362 5.816 7.514 -13.958 1.00 0.00 C ATOM 130 OG1 THR A 362 6.082 7.789 -12.577 1.00 0.00 O ATOM 131 CG2 THR A 362 4.394 6.994 -14.114 1.00 0.00 C ATOM 0 H THR A 362 7.559 5.290 -12.948 1.00 0.00 H new ATOM 0 HA THR A 362 6.550 6.204 -15.511 1.00 0.00 H new ATOM 0 HB THR A 362 5.911 8.433 -14.536 1.00 0.00 H new ATOM 0 HG1 THR A 362 5.427 8.435 -12.240 1.00 0.00 H new ATOM 0 HG21 THR A 362 3.692 7.730 -13.721 1.00 0.00 H new ATOM 0 HG22 THR A 362 4.184 6.819 -15.169 1.00 0.00 H new ATOM 0 HG23 THR A 362 4.286 6.060 -13.563 1.00 0.00 H new ATOM 139 N GLN A 363 8.691 7.457 -15.746 1.00 0.00 N ATOM 140 CA GLN A 363 9.992 8.092 -15.925 1.00 0.00 C ATOM 141 C GLN A 363 9.892 9.606 -15.757 1.00 0.00 C ATOM 142 O GLN A 363 10.419 10.366 -16.571 1.00 0.00 O ATOM 143 CB GLN A 363 10.564 7.754 -17.303 1.00 0.00 C ATOM 144 CG GLN A 363 10.765 6.264 -17.527 1.00 0.00 C ATOM 145 CD GLN A 363 11.712 5.644 -16.518 1.00 0.00 C ATOM 146 OE1 GLN A 363 12.873 6.038 -16.415 1.00 0.00 O ATOM 147 NE2 GLN A 363 11.218 4.667 -15.767 1.00 0.00 N ATOM 0 H GLN A 363 8.194 7.266 -16.616 1.00 0.00 H new ATOM 0 HA GLN A 363 10.663 7.706 -15.157 1.00 0.00 H new ATOM 0 HB2 GLN A 363 9.894 8.142 -18.071 1.00 0.00 H new ATOM 0 HB3 GLN A 363 11.519 8.264 -17.426 1.00 0.00 H new ATOM 0 HG2 GLN A 363 9.801 5.759 -17.472 1.00 0.00 H new ATOM 0 HG3 GLN A 363 11.154 6.101 -18.532 1.00 0.00 H new ATOM 0 HE21 GLN A 363 10.249 4.372 -15.886 1.00 0.00 H new ATOM 0 HE22 GLN A 363 11.808 4.211 -15.071 1.00 0.00 H new ATOM 156 N LYS A 364 9.214 10.039 -14.699 1.00 0.00 N ATOM 157 CA LYS A 364 9.049 11.462 -14.431 1.00 0.00 C ATOM 158 C LYS A 364 8.735 11.710 -12.959 1.00 0.00 C ATOM 159 O LYS A 364 7.761 11.179 -12.429 1.00 0.00 O ATOM 160 CB LYS A 364 7.938 12.036 -15.312 1.00 0.00 C ATOM 161 CG LYS A 364 6.601 11.329 -15.146 1.00 0.00 C ATOM 162 CD LYS A 364 5.559 11.860 -16.121 1.00 0.00 C ATOM 163 CE LYS A 364 5.278 13.338 -15.895 1.00 0.00 C ATOM 164 NZ LYS A 364 4.752 13.601 -14.528 1.00 0.00 N ATOM 0 H LYS A 364 8.771 9.426 -14.015 1.00 0.00 H new ATOM 0 HA LYS A 364 9.987 11.965 -14.666 1.00 0.00 H new ATOM 0 HB2 LYS A 364 7.811 13.093 -15.080 1.00 0.00 H new ATOM 0 HB3 LYS A 364 8.245 11.974 -16.356 1.00 0.00 H new ATOM 0 HG2 LYS A 364 6.733 10.258 -15.302 1.00 0.00 H new ATOM 0 HG3 LYS A 364 6.244 11.460 -14.125 1.00 0.00 H new ATOM 0 HD2 LYS A 364 5.906 11.708 -17.143 1.00 0.00 H new ATOM 0 HD3 LYS A 364 4.635 11.293 -16.010 1.00 0.00 H new ATOM 0 HE2 LYS A 364 6.194 13.909 -16.047 1.00 0.00 H new ATOM 0 HE3 LYS A 364 4.558 13.688 -16.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 3.932 14.238 -14.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 4.462 12.704 -14.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 5.494 14.045 -13.950 1.00 0.00 H new ATOM 178 N HIS A 365 9.574 12.525 -12.316 1.00 0.00 N ATOM 179 CA HIS A 365 9.416 12.866 -10.899 1.00 0.00 C ATOM 180 C HIS A 365 9.703 11.669 -9.994 1.00 0.00 C ATOM 181 O HIS A 365 10.611 11.718 -9.163 1.00 0.00 O ATOM 182 CB HIS A 365 8.010 13.410 -10.627 1.00 0.00 C ATOM 183 CG HIS A 365 7.740 14.722 -11.296 1.00 0.00 C ATOM 184 ND1 HIS A 365 6.809 15.076 -12.214 1.00 0.00 N flip ATOM 185 CD2 HIS A 365 8.475 15.860 -11.041 1.00 0.00 C flip ATOM 186 CE1 HIS A 365 6.998 16.408 -12.493 1.00 0.00 C flip ATOM 187 NE2 HIS A 365 8.009 16.857 -11.772 1.00 0.00 N flip ATOM 0 H HIS A 365 10.379 12.966 -12.760 1.00 0.00 H new ATOM 0 HA HIS A 365 10.146 13.642 -10.668 1.00 0.00 H new ATOM 0 HB2 HIS A 365 7.274 12.680 -10.965 1.00 0.00 H new ATOM 0 HB3 HIS A 365 7.875 13.524 -9.552 1.00 0.00 H new ATOM 0 HD2 HIS A 365 9.303 15.926 -10.351 1.00 0.00 H new ATOM 0 HE1 HIS A 365 6.415 16.993 -13.189 1.00 0.00 H new ATOM 0 HE2 HIS A 365 8.369 17.811 -11.778 1.00 0.00 H new ATOM 196 N LYS A 366 8.937 10.595 -10.156 1.00 0.00 N ATOM 197 CA LYS A 366 9.124 9.394 -9.351 1.00 0.00 C ATOM 198 C LYS A 366 10.416 8.678 -9.735 1.00 0.00 C ATOM 199 O LYS A 366 10.775 8.616 -10.911 1.00 0.00 O ATOM 200 CB LYS A 366 7.934 8.440 -9.506 1.00 0.00 C ATOM 201 CG LYS A 366 6.660 8.911 -8.816 1.00 0.00 C ATOM 202 CD LYS A 366 6.078 10.153 -9.473 1.00 0.00 C ATOM 203 CE LYS A 366 4.784 10.581 -8.800 1.00 0.00 C ATOM 204 NZ LYS A 366 4.192 11.785 -9.447 1.00 0.00 N ATOM 0 H LYS A 366 8.181 10.532 -10.838 1.00 0.00 H new ATOM 0 HA LYS A 366 9.191 9.703 -8.308 1.00 0.00 H new ATOM 0 HB2 LYS A 366 7.729 8.303 -10.568 1.00 0.00 H new ATOM 0 HB3 LYS A 366 8.211 7.464 -9.106 1.00 0.00 H new ATOM 0 HG2 LYS A 366 5.920 8.111 -8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 366 6.873 9.122 -7.768 1.00 0.00 H new ATOM 0 HD2 LYS A 366 6.802 10.966 -9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 366 5.893 9.955 -10.529 1.00 0.00 H new ATOM 0 HE2 LYS A 366 4.068 9.760 -8.836 1.00 0.00 H new ATOM 0 HE3 LYS A 366 4.975 10.791 -7.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 3.311 12.044 -8.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 4.865 12.576 -9.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 3.986 11.577 -10.445 1.00 0.00 H new ATOM 218 N PRO A 367 11.131 8.119 -8.743 1.00 0.00 N ATOM 219 CA PRO A 367 12.383 7.396 -8.982 1.00 0.00 C ATOM 220 C PRO A 367 12.157 6.071 -9.698 1.00 0.00 C ATOM 221 O PRO A 367 11.119 5.434 -9.526 1.00 0.00 O ATOM 222 CB PRO A 367 12.932 7.160 -7.581 1.00 0.00 C ATOM 223 CG PRO A 367 11.738 7.162 -6.699 1.00 0.00 C ATOM 224 CD PRO A 367 10.769 8.130 -7.313 1.00 0.00 C ATOM 0 HA PRO A 367 13.060 7.956 -9.628 1.00 0.00 H new ATOM 0 HB2 PRO A 367 13.467 6.212 -7.520 1.00 0.00 H new ATOM 0 HB3 PRO A 367 13.636 7.942 -7.295 1.00 0.00 H new ATOM 0 HG2 PRO A 367 11.302 6.165 -6.630 1.00 0.00 H new ATOM 0 HG3 PRO A 367 12.002 7.465 -5.686 1.00 0.00 H new ATOM 0 HD2 PRO A 367 9.736 7.817 -7.158 1.00 0.00 H new ATOM 0 HD3 PRO A 367 10.869 9.126 -6.881 1.00 0.00 H new ATOM 232 N ALA A 368 13.134 5.669 -10.506 1.00 0.00 N ATOM 233 CA ALA A 368 13.048 4.420 -11.257 1.00 0.00 C ATOM 234 C ALA A 368 13.291 3.211 -10.354 1.00 0.00 C ATOM 235 O ALA A 368 14.131 2.362 -10.652 1.00 0.00 O ATOM 236 CB ALA A 368 14.042 4.432 -12.408 1.00 0.00 C ATOM 0 H ALA A 368 13.997 6.192 -10.658 1.00 0.00 H new ATOM 0 HA ALA A 368 12.039 4.336 -11.660 1.00 0.00 H new ATOM 0 HB1 ALA A 368 13.969 3.496 -12.961 1.00 0.00 H new ATOM 0 HB2 ALA A 368 13.818 5.265 -13.074 1.00 0.00 H new ATOM 0 HB3 ALA A 368 15.053 4.544 -12.015 1.00 0.00 H new ATOM 242 N GLU A 369 12.552 3.140 -9.250 1.00 0.00 N ATOM 243 CA GLU A 369 12.686 2.039 -8.304 1.00 0.00 C ATOM 244 C GLU A 369 11.519 2.042 -7.318 1.00 0.00 C ATOM 245 O GLU A 369 11.705 1.895 -6.109 1.00 0.00 O ATOM 246 CB GLU A 369 14.019 2.149 -7.555 1.00 0.00 C ATOM 247 CG GLU A 369 14.348 0.937 -6.697 1.00 0.00 C ATOM 248 CD GLU A 369 15.667 1.084 -5.960 1.00 0.00 C ATOM 249 OE1 GLU A 369 16.324 2.134 -6.121 1.00 0.00 O ATOM 250 OE2 GLU A 369 16.042 0.149 -5.223 1.00 0.00 O ATOM 0 H GLU A 369 11.852 3.835 -8.989 1.00 0.00 H new ATOM 0 HA GLU A 369 12.670 1.098 -8.854 1.00 0.00 H new ATOM 0 HB2 GLU A 369 14.820 2.297 -8.279 1.00 0.00 H new ATOM 0 HB3 GLU A 369 13.996 3.035 -6.921 1.00 0.00 H new ATOM 0 HG2 GLU A 369 13.548 0.780 -5.974 1.00 0.00 H new ATOM 0 HG3 GLU A 369 14.386 0.049 -7.328 1.00 0.00 H new ATOM 257 N SER A 370 10.312 2.216 -7.847 1.00 0.00 N ATOM 258 CA SER A 370 9.109 2.242 -7.023 1.00 0.00 C ATOM 259 C SER A 370 8.878 0.890 -6.357 1.00 0.00 C ATOM 260 O SER A 370 8.984 -0.154 -7.000 1.00 0.00 O ATOM 261 CB SER A 370 7.894 2.624 -7.871 1.00 0.00 C ATOM 262 OG SER A 370 6.716 2.667 -7.085 1.00 0.00 O ATOM 0 H SER A 370 10.141 2.341 -8.845 1.00 0.00 H new ATOM 0 HA SER A 370 9.247 2.991 -6.243 1.00 0.00 H new ATOM 0 HB2 SER A 370 8.061 3.596 -8.334 1.00 0.00 H new ATOM 0 HB3 SER A 370 7.770 1.903 -8.679 1.00 0.00 H new ATOM 0 HG SER A 370 5.955 2.915 -7.650 1.00 0.00 H new ATOM 268 N GLN A 371 8.560 0.919 -5.066 1.00 0.00 N ATOM 269 CA GLN A 371 8.312 -0.302 -4.306 1.00 0.00 C ATOM 270 C GLN A 371 7.790 0.047 -2.913 1.00 0.00 C ATOM 271 O GLN A 371 8.315 -0.417 -1.903 1.00 0.00 O ATOM 272 CB GLN A 371 9.598 -1.134 -4.203 1.00 0.00 C ATOM 273 CG GLN A 371 9.359 -2.629 -4.032 1.00 0.00 C ATOM 274 CD GLN A 371 8.707 -2.987 -2.711 1.00 0.00 C ATOM 275 OE1 GLN A 371 9.287 -2.783 -1.645 1.00 0.00 O ATOM 276 NE2 GLN A 371 7.494 -3.523 -2.776 1.00 0.00 N ATOM 0 H GLN A 371 8.468 1.778 -4.523 1.00 0.00 H new ATOM 0 HA GLN A 371 7.558 -0.894 -4.825 1.00 0.00 H new ATOM 0 HB2 GLN A 371 10.195 -0.973 -5.100 1.00 0.00 H new ATOM 0 HB3 GLN A 371 10.186 -0.772 -3.359 1.00 0.00 H new ATOM 0 HG2 GLN A 371 8.729 -2.984 -4.848 1.00 0.00 H new ATOM 0 HG3 GLN A 371 10.311 -3.153 -4.113 1.00 0.00 H new ATOM 0 HE21 GLN A 371 7.051 -3.674 -3.682 1.00 0.00 H new ATOM 0 HE22 GLN A 371 7.005 -3.784 -1.920 1.00 0.00 H new ATOM 285 N GLN A 372 6.756 0.881 -2.872 1.00 0.00 N ATOM 286 CA GLN A 372 6.165 1.303 -1.607 1.00 0.00 C ATOM 287 C GLN A 372 4.716 1.737 -1.803 1.00 0.00 C ATOM 288 O GLN A 372 4.372 2.338 -2.821 1.00 0.00 O ATOM 289 CB GLN A 372 6.976 2.448 -0.996 1.00 0.00 C ATOM 290 CG GLN A 372 7.061 3.677 -1.885 1.00 0.00 C ATOM 291 CD GLN A 372 7.850 4.804 -1.245 1.00 0.00 C ATOM 292 OE1 GLN A 372 7.520 5.267 -0.155 1.00 0.00 O ATOM 293 NE2 GLN A 372 8.898 5.253 -1.927 1.00 0.00 N ATOM 0 H GLN A 372 6.310 1.278 -3.699 1.00 0.00 H new ATOM 0 HA GLN A 372 6.182 0.453 -0.925 1.00 0.00 H new ATOM 0 HB2 GLN A 372 6.529 2.730 -0.043 1.00 0.00 H new ATOM 0 HB3 GLN A 372 7.985 2.094 -0.783 1.00 0.00 H new ATOM 0 HG2 GLN A 372 7.526 3.405 -2.832 1.00 0.00 H new ATOM 0 HG3 GLN A 372 6.054 4.027 -2.113 1.00 0.00 H new ATOM 0 HE21 GLN A 372 9.135 4.839 -2.828 1.00 0.00 H new ATOM 0 HE22 GLN A 372 9.465 6.012 -1.549 1.00 0.00 H new ATOM 302 N GLN A 373 3.871 1.427 -0.824 1.00 0.00 N ATOM 303 CA GLN A 373 2.458 1.786 -0.891 1.00 0.00 C ATOM 304 C GLN A 373 2.292 3.278 -1.151 1.00 0.00 C ATOM 305 O GLN A 373 2.870 4.109 -0.449 1.00 0.00 O ATOM 306 CB GLN A 373 1.749 1.401 0.411 1.00 0.00 C ATOM 307 CG GLN A 373 0.264 1.731 0.416 1.00 0.00 C ATOM 308 CD GLN A 373 -0.412 1.370 1.723 1.00 0.00 C ATOM 309 OE1 GLN A 373 -0.992 2.364 2.384 1.00 0.00 O flip ATOM 310 NE2 GLN A 373 -0.413 0.210 2.135 1.00 0.00 N flip ATOM 0 H GLN A 373 4.140 0.928 0.024 1.00 0.00 H new ATOM 0 HA GLN A 373 2.006 1.237 -1.717 1.00 0.00 H new ATOM 0 HB2 GLN A 373 1.876 0.332 0.582 1.00 0.00 H new ATOM 0 HB3 GLN A 373 2.230 1.916 1.243 1.00 0.00 H new ATOM 0 HG2 GLN A 373 0.132 2.796 0.226 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -0.225 1.199 -0.400 1.00 0.00 H new ATOM 0 HE21 GLN A 373 0.045 -0.524 1.594 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -0.872 -0.018 3.017 1.00 0.00 H new ATOM 319 N ALA A 374 1.500 3.612 -2.164 1.00 0.00 N ATOM 320 CA ALA A 374 1.256 5.003 -2.517 1.00 0.00 C ATOM 321 C ALA A 374 -0.235 5.295 -2.562 1.00 0.00 C ATOM 322 O ALA A 374 -1.012 4.505 -3.099 1.00 0.00 O ATOM 323 CB ALA A 374 1.902 5.328 -3.855 1.00 0.00 C ATOM 0 H ALA A 374 1.016 2.936 -2.755 1.00 0.00 H new ATOM 0 HA ALA A 374 1.703 5.635 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 374 1.712 6.371 -4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 374 2.977 5.161 -3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 374 1.481 4.685 -4.628 1.00 0.00 H new ATOM 329 N ALA A 375 -0.631 6.430 -1.997 1.00 0.00 N ATOM 330 CA ALA A 375 -2.034 6.817 -1.979 1.00 0.00 C ATOM 331 C ALA A 375 -2.614 6.808 -3.389 1.00 0.00 C ATOM 332 O ALA A 375 -2.382 7.726 -4.176 1.00 0.00 O ATOM 333 CB ALA A 375 -2.198 8.189 -1.342 1.00 0.00 C ATOM 0 H ALA A 375 -0.002 7.095 -1.547 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.583 6.090 -1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -3.253 8.464 -1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -1.824 8.162 -0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -1.634 8.926 -1.914 1.00 0.00 H new ATOM 339 N GLU A 376 -3.366 5.757 -3.695 1.00 0.00 N ATOM 340 CA GLU A 376 -3.990 5.598 -5.000 1.00 0.00 C ATOM 341 C GLU A 376 -5.039 6.678 -5.235 1.00 0.00 C ATOM 342 O GLU A 376 -4.888 7.814 -4.784 1.00 0.00 O ATOM 343 CB GLU A 376 -4.616 4.205 -5.101 1.00 0.00 C ATOM 344 CG GLU A 376 -3.641 3.078 -4.802 1.00 0.00 C ATOM 345 CD GLU A 376 -2.505 2.998 -5.807 1.00 0.00 C ATOM 346 OE1 GLU A 376 -1.726 3.969 -5.905 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.395 1.960 -6.494 1.00 0.00 O ATOM 0 H GLU A 376 -3.559 4.994 -3.046 1.00 0.00 H new ATOM 0 HA GLU A 376 -3.227 5.703 -5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.455 4.142 -4.408 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.020 4.069 -6.104 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.227 3.218 -3.803 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.180 2.131 -4.794 1.00 0.00 H new ATOM 354 N THR A 377 -6.096 6.322 -5.948 1.00 0.00 N ATOM 355 CA THR A 377 -7.162 7.258 -6.252 1.00 0.00 C ATOM 356 C THR A 377 -8.512 6.564 -6.207 1.00 0.00 C ATOM 357 O THR A 377 -8.597 5.346 -6.374 1.00 0.00 O ATOM 358 CB THR A 377 -6.957 7.902 -7.632 1.00 0.00 C ATOM 359 OG1 THR A 377 -7.031 6.901 -8.656 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.605 8.596 -7.694 1.00 0.00 C ATOM 0 H THR A 377 -6.237 5.386 -6.328 1.00 0.00 H new ATOM 0 HA THR A 377 -7.138 8.042 -5.495 1.00 0.00 H new ATOM 0 HB THR A 377 -7.743 8.640 -7.792 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.901 7.320 -9.533 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.473 9.048 -8.677 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.558 9.371 -6.929 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.813 7.867 -7.520 1.00 0.00 H new ATOM 368 N GLU A 378 -9.559 7.340 -5.957 1.00 0.00 N ATOM 369 CA GLU A 378 -10.909 6.800 -5.867 1.00 0.00 C ATOM 370 C GLU A 378 -11.181 5.825 -7.003 1.00 0.00 C ATOM 371 O GLU A 378 -11.801 4.782 -6.806 1.00 0.00 O ATOM 372 CB GLU A 378 -11.934 7.932 -5.894 1.00 0.00 C ATOM 373 CG GLU A 378 -13.366 7.464 -5.689 1.00 0.00 C ATOM 374 CD GLU A 378 -14.359 8.610 -5.694 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.443 9.319 -6.719 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.054 8.797 -4.673 1.00 0.00 O ATOM 0 H GLU A 378 -9.498 8.348 -5.813 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.997 6.262 -4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.683 8.656 -5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.864 8.451 -6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.629 6.756 -6.475 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.438 6.930 -4.742 1.00 0.00 H new ATOM 383 N GLY A 379 -10.713 6.177 -8.191 1.00 0.00 N ATOM 384 CA GLY A 379 -10.914 5.329 -9.348 1.00 0.00 C ATOM 385 C GLY A 379 -10.197 3.999 -9.249 1.00 0.00 C ATOM 386 O GLY A 379 -10.741 2.967 -9.646 1.00 0.00 O ATOM 0 H GLY A 379 -10.196 7.037 -8.375 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.981 5.150 -9.477 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.569 5.854 -10.239 1.00 0.00 H new ATOM 390 N SER A 380 -8.975 4.015 -8.733 1.00 0.00 N ATOM 391 CA SER A 380 -8.192 2.792 -8.604 1.00 0.00 C ATOM 392 C SER A 380 -8.791 1.848 -7.565 1.00 0.00 C ATOM 393 O SER A 380 -8.976 0.659 -7.827 1.00 0.00 O ATOM 394 CB SER A 380 -6.753 3.125 -8.231 1.00 0.00 C ATOM 395 OG SER A 380 -5.973 1.950 -8.103 1.00 0.00 O ATOM 0 H SER A 380 -8.506 4.857 -8.398 1.00 0.00 H new ATOM 0 HA SER A 380 -8.209 2.286 -9.569 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.318 3.773 -8.992 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.737 3.680 -7.293 1.00 0.00 H new ATOM 0 HG SER A 380 -5.054 2.192 -7.865 1.00 0.00 H new ATOM 401 N CYS A 381 -9.079 2.384 -6.383 1.00 0.00 N ATOM 402 CA CYS A 381 -9.637 1.596 -5.286 1.00 0.00 C ATOM 403 C CYS A 381 -10.915 0.867 -5.686 1.00 0.00 C ATOM 404 O CYS A 381 -11.075 -0.318 -5.392 1.00 0.00 O ATOM 405 CB CYS A 381 -9.917 2.499 -4.087 1.00 0.00 C ATOM 406 SG CYS A 381 -8.447 3.366 -3.455 1.00 0.00 S ATOM 0 H CYS A 381 -8.934 3.368 -6.158 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.897 0.841 -5.022 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.668 3.237 -4.368 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.345 1.898 -3.285 1.00 0.00 H new ATOM 411 N ASN A 382 -11.827 1.575 -6.345 1.00 0.00 N ATOM 412 CA ASN A 382 -13.095 0.981 -6.765 1.00 0.00 C ATOM 413 C ASN A 382 -12.856 -0.294 -7.559 1.00 0.00 C ATOM 414 O ASN A 382 -13.622 -1.253 -7.466 1.00 0.00 O ATOM 415 CB ASN A 382 -13.899 1.969 -7.612 1.00 0.00 C ATOM 416 CG ASN A 382 -14.169 3.280 -6.899 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.685 3.406 -5.669 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.804 4.177 -7.453 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.714 2.556 -6.600 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.663 0.737 -5.867 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.358 2.170 -8.537 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.848 1.511 -7.891 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -15.159 4.041 -8.399 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.975 5.057 -6.966 1.00 0.00 H new ATOM 425 N LYS A 383 -11.793 -0.291 -8.348 1.00 0.00 N ATOM 426 CA LYS A 383 -11.448 -1.435 -9.176 1.00 0.00 C ATOM 427 C LYS A 383 -10.768 -2.538 -8.368 1.00 0.00 C ATOM 428 O LYS A 383 -10.831 -3.711 -8.739 1.00 0.00 O ATOM 429 CB LYS A 383 -10.545 -0.986 -10.325 1.00 0.00 C ATOM 430 CG LYS A 383 -11.124 0.168 -11.131 1.00 0.00 C ATOM 431 CD LYS A 383 -12.479 -0.188 -11.723 1.00 0.00 C ATOM 432 CE LYS A 383 -13.013 0.924 -12.611 1.00 0.00 C ATOM 433 NZ LYS A 383 -14.339 0.579 -13.193 1.00 0.00 N ATOM 0 H LYS A 383 -11.151 0.497 -8.432 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.372 -1.850 -9.578 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.577 -0.689 -9.922 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.368 -1.831 -10.990 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -11.225 1.045 -10.492 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -10.435 0.435 -11.932 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.393 -1.107 -12.303 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -13.188 -0.384 -10.918 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -13.099 1.843 -12.031 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -12.303 1.120 -13.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -14.669 1.362 -13.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -14.252 -0.284 -13.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -15.023 0.417 -12.427 1.00 0.00 H new ATOM 447 N LYS A 384 -10.104 -2.165 -7.276 1.00 0.00 N ATOM 448 CA LYS A 384 -9.405 -3.132 -6.450 1.00 0.00 C ATOM 449 C LYS A 384 -10.353 -4.128 -5.817 1.00 0.00 C ATOM 450 O LYS A 384 -11.485 -3.807 -5.454 1.00 0.00 O ATOM 451 CB LYS A 384 -8.611 -2.424 -5.368 1.00 0.00 C ATOM 452 CG LYS A 384 -7.817 -1.259 -5.905 1.00 0.00 C ATOM 453 CD LYS A 384 -6.763 -1.660 -6.914 1.00 0.00 C ATOM 454 CE LYS A 384 -6.087 -2.928 -6.498 1.00 0.00 C ATOM 455 NZ LYS A 384 -5.027 -3.352 -7.454 1.00 0.00 N ATOM 0 H LYS A 384 -10.039 -1.201 -6.948 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.727 -3.683 -7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.292 -2.070 -4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.933 -3.135 -4.895 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.500 -0.547 -6.369 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.335 -0.744 -5.074 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.222 -1.791 -7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.025 -0.864 -7.012 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.647 -2.794 -5.510 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.831 -3.720 -6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -4.591 -4.235 -7.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -5.448 -3.508 -8.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -4.301 -2.610 -7.519 1.00 0.00 H new ATOM 469 N ASP A 385 -9.850 -5.333 -5.678 1.00 0.00 N ATOM 470 CA ASP A 385 -10.601 -6.428 -5.070 1.00 0.00 C ATOM 471 C ASP A 385 -10.565 -6.304 -3.551 1.00 0.00 C ATOM 472 O ASP A 385 -9.912 -5.412 -3.019 1.00 0.00 O ATOM 473 CB ASP A 385 -10.025 -7.780 -5.498 1.00 0.00 C ATOM 474 CG ASP A 385 -10.050 -7.974 -7.002 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.526 -7.063 -7.714 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.596 -9.040 -7.470 1.00 0.00 O ATOM 0 H ASP A 385 -8.910 -5.590 -5.980 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.635 -6.369 -5.410 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -8.998 -7.863 -5.142 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.593 -8.580 -5.023 1.00 0.00 H new ATOM 481 N GLN A 386 -11.264 -7.198 -2.857 1.00 0.00 N ATOM 482 CA GLN A 386 -11.299 -7.170 -1.395 1.00 0.00 C ATOM 483 C GLN A 386 -9.891 -7.082 -0.813 1.00 0.00 C ATOM 484 O GLN A 386 -9.559 -6.127 -0.110 1.00 0.00 O ATOM 485 CB GLN A 386 -12.006 -8.419 -0.860 1.00 0.00 C ATOM 486 CG GLN A 386 -11.995 -8.527 0.656 1.00 0.00 C ATOM 487 CD GLN A 386 -12.730 -9.755 1.159 1.00 0.00 C ATOM 488 OE1 GLN A 386 -12.371 -10.886 0.830 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.765 -9.537 1.962 1.00 0.00 N ATOM 0 H GLN A 386 -11.812 -7.948 -3.279 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.853 -6.283 -1.088 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -13.039 -8.417 -1.207 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.529 -9.304 -1.282 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.963 -8.556 1.007 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.452 -7.634 1.083 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -14.027 -8.583 2.208 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -14.298 -10.324 2.332 1.00 0.00 H new ATOM 498 N ASN A 387 -9.066 -8.075 -1.118 1.00 0.00 N ATOM 499 CA ASN A 387 -7.696 -8.106 -0.636 1.00 0.00 C ATOM 500 C ASN A 387 -6.881 -6.978 -1.257 1.00 0.00 C ATOM 501 O ASN A 387 -5.892 -6.520 -0.683 1.00 0.00 O ATOM 502 CB ASN A 387 -7.064 -9.459 -0.963 1.00 0.00 C ATOM 503 CG ASN A 387 -5.607 -9.525 -0.567 1.00 0.00 C ATOM 504 OD1 ASN A 387 -5.258 -9.354 0.602 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.747 -9.778 -1.542 1.00 0.00 N ATOM 0 H ASN A 387 -9.325 -8.872 -1.700 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.702 -7.966 0.445 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.614 -10.247 -0.449 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.156 -9.651 -2.032 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.749 -9.838 -1.339 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.083 -9.913 -2.496 1.00 0.00 H new ATOM 512 N GLU A 388 -7.303 -6.539 -2.439 1.00 0.00 N ATOM 513 CA GLU A 388 -6.620 -5.469 -3.155 1.00 0.00 C ATOM 514 C GLU A 388 -6.976 -4.099 -2.593 1.00 0.00 C ATOM 515 O GLU A 388 -6.223 -3.142 -2.767 1.00 0.00 O ATOM 516 CB GLU A 388 -6.954 -5.536 -4.642 1.00 0.00 C ATOM 517 CG GLU A 388 -6.539 -6.842 -5.302 1.00 0.00 C ATOM 518 CD GLU A 388 -6.855 -6.877 -6.786 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.372 -5.868 -7.310 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.584 -7.916 -7.425 1.00 0.00 O ATOM 0 H GLU A 388 -8.120 -6.911 -2.923 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.547 -5.610 -3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -8.028 -5.399 -4.771 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.463 -4.708 -5.154 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.469 -6.992 -5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -7.046 -7.671 -4.808 1.00 0.00 H new ATOM 527 N CYS A 389 -8.120 -4.004 -1.914 1.00 0.00 N ATOM 528 CA CYS A 389 -8.543 -2.738 -1.330 1.00 0.00 C ATOM 529 C CYS A 389 -7.420 -2.218 -0.442 1.00 0.00 C ATOM 530 O CYS A 389 -7.197 -2.716 0.662 1.00 0.00 O ATOM 531 CB CYS A 389 -9.842 -2.924 -0.538 1.00 0.00 C ATOM 532 SG CYS A 389 -10.641 -1.367 -0.023 1.00 0.00 S ATOM 0 H CYS A 389 -8.762 -4.781 -1.758 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.745 -2.009 -2.115 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.545 -3.495 -1.145 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.630 -3.520 0.350 1.00 0.00 H new ATOM 537 N LYS A 390 -6.681 -1.249 -0.967 1.00 0.00 N ATOM 538 CA LYS A 390 -5.529 -0.688 -0.270 1.00 0.00 C ATOM 539 C LYS A 390 -5.914 0.143 0.948 1.00 0.00 C ATOM 540 O LYS A 390 -7.067 0.545 1.108 1.00 0.00 O ATOM 541 CB LYS A 390 -4.691 0.128 -1.245 1.00 0.00 C ATOM 542 CG LYS A 390 -4.084 -0.721 -2.353 1.00 0.00 C ATOM 543 CD LYS A 390 -3.213 0.108 -3.280 1.00 0.00 C ATOM 544 CE LYS A 390 -2.578 -0.749 -4.364 1.00 0.00 C ATOM 545 NZ LYS A 390 -3.600 -1.421 -5.214 1.00 0.00 N ATOM 0 H LYS A 390 -6.860 -0.832 -1.880 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.940 -1.522 0.112 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.312 0.906 -1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.892 0.630 -0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.489 -1.522 -1.914 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.881 -1.194 -2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.814 0.892 -3.740 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.432 0.602 -2.702 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.938 -0.127 -4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.938 -1.501 -3.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -3.343 -1.314 -6.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -3.642 -2.432 -4.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -4.530 -0.987 -5.047 1.00 0.00 H new ATOM 559 N SER A 391 -4.928 0.366 1.816 1.00 0.00 N ATOM 560 CA SER A 391 -5.127 1.120 3.052 1.00 0.00 C ATOM 561 C SER A 391 -5.785 2.476 2.795 1.00 0.00 C ATOM 562 O SER A 391 -6.823 2.773 3.387 1.00 0.00 O ATOM 563 CB SER A 391 -3.795 1.306 3.788 1.00 0.00 C ATOM 564 OG SER A 391 -3.977 2.017 5.000 1.00 0.00 O ATOM 0 H SER A 391 -3.974 0.031 1.683 1.00 0.00 H new ATOM 0 HA SER A 391 -5.803 0.541 3.680 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.352 0.332 3.997 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.095 1.844 3.149 1.00 0.00 H new ATOM 0 HG SER A 391 -3.113 2.121 5.451 1.00 0.00 H new ATOM 570 N PRO A 392 -5.215 3.322 1.907 1.00 0.00 N ATOM 571 CA PRO A 392 -5.798 4.624 1.607 1.00 0.00 C ATOM 572 C PRO A 392 -7.263 4.481 1.220 1.00 0.00 C ATOM 573 O PRO A 392 -8.082 5.368 1.473 1.00 0.00 O ATOM 574 CB PRO A 392 -4.968 5.146 0.426 1.00 0.00 C ATOM 575 CG PRO A 392 -4.142 4.001 -0.041 1.00 0.00 C ATOM 576 CD PRO A 392 -3.991 3.089 1.131 1.00 0.00 C ATOM 0 HA PRO A 392 -5.775 5.300 2.462 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.614 5.511 -0.372 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.338 5.981 0.732 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.624 3.488 -0.874 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.170 4.342 -0.396 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.905 2.048 0.821 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.098 3.324 1.710 1.00 0.00 H new ATOM 584 N CYS A 393 -7.583 3.339 0.621 1.00 0.00 N ATOM 585 CA CYS A 393 -8.946 3.040 0.211 1.00 0.00 C ATOM 586 C CYS A 393 -9.762 2.588 1.414 1.00 0.00 C ATOM 587 O CYS A 393 -9.254 1.893 2.294 1.00 0.00 O ATOM 588 CB CYS A 393 -8.965 1.934 -0.840 1.00 0.00 C ATOM 589 SG CYS A 393 -7.667 2.069 -2.111 1.00 0.00 S ATOM 0 H CYS A 393 -6.910 2.602 0.409 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.377 3.946 -0.215 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.864 0.972 -0.337 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.938 1.936 -1.332 1.00 0.00 H new ATOM 594 N LYS A 394 -11.029 2.965 1.437 1.00 0.00 N ATOM 595 CA LYS A 394 -11.919 2.577 2.523 1.00 0.00 C ATOM 596 C LYS A 394 -12.690 1.322 2.151 1.00 0.00 C ATOM 597 O LYS A 394 -13.397 1.291 1.143 1.00 0.00 O ATOM 598 CB LYS A 394 -12.882 3.714 2.865 1.00 0.00 C ATOM 599 CG LYS A 394 -12.205 4.901 3.532 1.00 0.00 C ATOM 600 CD LYS A 394 -11.565 4.519 4.859 1.00 0.00 C ATOM 601 CE LYS A 394 -12.600 4.048 5.870 1.00 0.00 C ATOM 602 NZ LYS A 394 -11.978 3.680 7.171 1.00 0.00 N ATOM 0 H LYS A 394 -11.467 3.540 0.717 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.314 2.365 3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -13.373 4.051 1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.662 3.333 3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -11.444 5.306 2.865 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.938 5.691 3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -10.831 3.730 4.695 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -11.026 5.376 5.263 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -13.336 4.836 6.030 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.135 3.188 5.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -12.716 3.365 7.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -11.294 2.911 7.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -11.488 4.507 7.568 1.00 0.00 H new ATOM 616 N TRP A 395 -12.542 0.284 2.964 1.00 0.00 N ATOM 617 CA TRP A 395 -13.219 -0.976 2.711 1.00 0.00 C ATOM 618 C TRP A 395 -14.684 -0.914 3.124 1.00 0.00 C ATOM 619 O TRP A 395 -15.018 -0.413 4.199 1.00 0.00 O ATOM 620 CB TRP A 395 -12.521 -2.122 3.446 1.00 0.00 C ATOM 621 CG TRP A 395 -13.144 -3.457 3.177 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.576 -4.361 4.105 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.406 -4.040 1.894 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.094 -5.467 3.478 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.000 -5.295 2.122 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.198 -3.622 0.573 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.388 -6.135 1.081 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.582 -4.458 -0.456 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.171 -5.700 -0.197 1.00 0.00 C ATOM 0 H TRP A 395 -11.960 0.292 3.802 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.173 -1.160 1.638 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.472 -2.151 3.150 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.544 -1.926 4.518 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.519 -4.226 5.175 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.485 -6.284 3.946 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.746 -2.664 0.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.843 -7.095 1.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.425 -4.148 -1.479 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.461 -6.330 -1.025 1.00 0.00 H new ATOM 640 N HIS A 396 -15.551 -1.440 2.267 1.00 0.00 N ATOM 641 CA HIS A 396 -16.981 -1.465 2.538 1.00 0.00 C ATOM 642 C HIS A 396 -17.454 -2.898 2.739 1.00 0.00 C ATOM 643 O HIS A 396 -17.593 -3.660 1.775 1.00 0.00 O ATOM 644 CB HIS A 396 -17.758 -0.814 1.395 1.00 0.00 C ATOM 645 CG HIS A 396 -17.475 0.648 1.234 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.717 1.576 2.225 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.967 1.341 0.187 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.370 2.777 1.796 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.912 2.661 0.563 1.00 0.00 N ATOM 0 H HIS A 396 -15.286 -1.857 1.375 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.166 -0.899 3.451 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.516 -1.327 0.464 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.825 -0.952 1.567 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -18.104 1.368 3.146 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.662 0.932 -0.765 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.448 3.696 2.358 1.00 0.00 H new ATOM 658 N ASN A 397 -17.695 -3.252 3.999 1.00 0.00 N ATOM 659 CA ASN A 397 -18.152 -4.589 4.358 1.00 0.00 C ATOM 660 C ASN A 397 -19.504 -4.890 3.730 1.00 0.00 C ATOM 661 O ASN A 397 -20.260 -3.977 3.394 1.00 0.00 O ATOM 662 CB ASN A 397 -18.239 -4.729 5.879 1.00 0.00 C ATOM 663 CG ASN A 397 -19.208 -3.741 6.498 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.047 -2.528 6.364 1.00 0.00 O ATOM 665 ND2 ASN A 397 -20.222 -4.256 7.184 1.00 0.00 N ATOM 0 H ASN A 397 -17.580 -2.624 4.794 1.00 0.00 H new ATOM 0 HA ASN A 397 -17.428 -5.308 3.974 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.549 -5.743 6.130 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.249 -4.582 6.311 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -20.905 -3.640 7.625 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -20.318 -5.268 7.270 1.00 0.00 H new ATOM 672 N ASP A 398 -19.798 -6.176 3.567 1.00 0.00 N ATOM 673 CA ASP A 398 -21.057 -6.605 2.972 1.00 0.00 C ATOM 674 C ASP A 398 -21.157 -6.108 1.531 1.00 0.00 C ATOM 675 O ASP A 398 -20.400 -6.554 0.669 1.00 0.00 O ATOM 676 CB ASP A 398 -22.245 -6.111 3.808 1.00 0.00 C ATOM 677 CG ASP A 398 -23.576 -6.647 3.311 1.00 0.00 C ATOM 678 OD1 ASP A 398 -23.581 -7.424 2.333 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.616 -6.293 3.906 1.00 0.00 O ATOM 0 H ASP A 398 -19.180 -6.940 3.840 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.085 -7.695 2.961 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.103 -6.410 4.846 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.268 -5.021 3.791 1.00 0.00 H new ATOM 684 N ALA A 399 -22.086 -5.187 1.273 1.00 0.00 N ATOM 685 CA ALA A 399 -22.273 -4.639 -0.068 1.00 0.00 C ATOM 686 C ALA A 399 -22.742 -5.723 -1.036 1.00 0.00 C ATOM 687 O ALA A 399 -22.402 -6.896 -0.883 1.00 0.00 O ATOM 688 CB ALA A 399 -20.987 -3.987 -0.565 1.00 0.00 C ATOM 0 H ALA A 399 -22.720 -4.806 1.975 1.00 0.00 H new ATOM 0 HA ALA A 399 -23.047 -3.873 -0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.146 -3.585 -1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.704 -3.179 0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.190 -4.730 -0.595 1.00 0.00 H new ATOM 694 N GLU A 400 -23.535 -5.322 -2.026 1.00 0.00 N ATOM 695 CA GLU A 400 -24.065 -6.255 -3.018 1.00 0.00 C ATOM 696 C GLU A 400 -22.972 -7.181 -3.545 1.00 0.00 C ATOM 697 O GLU A 400 -23.221 -8.355 -3.821 1.00 0.00 O ATOM 698 CB GLU A 400 -24.705 -5.487 -4.175 1.00 0.00 C ATOM 699 CG GLU A 400 -25.867 -4.605 -3.750 1.00 0.00 C ATOM 700 CD GLU A 400 -26.491 -3.862 -4.915 1.00 0.00 C ATOM 701 OE1 GLU A 400 -26.962 -4.529 -5.861 1.00 0.00 O ATOM 702 OE2 GLU A 400 -26.510 -2.614 -4.881 1.00 0.00 O ATOM 0 H GLU A 400 -23.826 -4.354 -2.163 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.824 -6.869 -2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -23.946 -4.868 -4.653 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.054 -6.198 -4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.627 -5.219 -3.267 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.520 -3.885 -3.009 1.00 0.00 H new ATOM 709 N ASN A 401 -21.764 -6.645 -3.680 1.00 0.00 N ATOM 710 CA ASN A 401 -20.627 -7.417 -4.173 1.00 0.00 C ATOM 711 C ASN A 401 -19.327 -6.842 -3.629 1.00 0.00 C ATOM 712 O ASN A 401 -18.311 -6.807 -4.325 1.00 0.00 O ATOM 713 CB ASN A 401 -20.597 -7.393 -5.701 1.00 0.00 C ATOM 714 CG ASN A 401 -21.883 -7.902 -6.313 1.00 0.00 C ATOM 715 OD1 ASN A 401 -22.143 -9.104 -6.342 1.00 0.00 O ATOM 716 ND2 ASN A 401 -22.710 -6.975 -6.774 1.00 0.00 N ATOM 0 H ASN A 401 -21.545 -5.675 -3.454 1.00 0.00 H new ATOM 0 HA ASN A 401 -20.733 -8.447 -3.833 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.415 -6.374 -6.042 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -19.764 -8.001 -6.055 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -23.608 -7.246 -7.175 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -22.449 -5.990 -6.728 1.00 0.00 H new ATOM 723 N LYS A 402 -19.377 -6.384 -2.381 1.00 0.00 N ATOM 724 CA LYS A 402 -18.216 -5.791 -1.721 1.00 0.00 C ATOM 725 C LYS A 402 -17.851 -4.467 -2.383 1.00 0.00 C ATOM 726 O LYS A 402 -17.858 -4.357 -3.609 1.00 0.00 O ATOM 727 CB LYS A 402 -17.022 -6.750 -1.763 1.00 0.00 C ATOM 728 CG LYS A 402 -17.288 -8.094 -1.101 1.00 0.00 C ATOM 729 CD LYS A 402 -17.584 -7.940 0.382 1.00 0.00 C ATOM 730 CE LYS A 402 -17.846 -9.285 1.041 1.00 0.00 C ATOM 731 NZ LYS A 402 -16.672 -10.195 0.929 1.00 0.00 N ATOM 0 H LYS A 402 -20.216 -6.413 -1.802 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.472 -5.604 -0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -16.739 -6.917 -2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.171 -6.277 -1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.130 -8.581 -1.592 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.423 -8.743 -1.234 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.743 -7.451 0.873 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.451 -7.293 0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.089 -9.133 2.093 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.714 -9.754 0.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -16.895 -10.971 0.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -15.853 -9.663 0.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -16.446 -10.588 1.865 1.00 0.00 H new ATOM 745 N LYS A 403 -17.547 -3.454 -1.575 1.00 0.00 N ATOM 746 CA LYS A 403 -17.202 -2.144 -2.121 1.00 0.00 C ATOM 747 C LYS A 403 -15.897 -1.608 -1.538 1.00 0.00 C ATOM 748 O LYS A 403 -15.543 -1.901 -0.399 1.00 0.00 O ATOM 749 CB LYS A 403 -18.337 -1.147 -1.868 1.00 0.00 C ATOM 750 CG LYS A 403 -19.642 -1.514 -2.556 1.00 0.00 C ATOM 751 CD LYS A 403 -19.512 -1.471 -4.071 1.00 0.00 C ATOM 752 CE LYS A 403 -20.830 -1.803 -4.753 1.00 0.00 C ATOM 753 NZ LYS A 403 -20.720 -1.733 -6.235 1.00 0.00 N ATOM 0 H LYS A 403 -17.532 -3.512 -0.557 1.00 0.00 H new ATOM 0 HA LYS A 403 -17.059 -2.267 -3.195 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.511 -1.074 -0.794 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -18.023 -0.160 -2.208 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.948 -2.513 -2.245 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -20.426 -0.827 -2.239 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -19.180 -0.480 -4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -18.747 -2.178 -4.392 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -21.149 -2.803 -4.459 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -21.600 -1.110 -4.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -21.639 -1.966 -6.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -20.440 -0.772 -6.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.004 -2.412 -6.562 1.00 0.00 H new ATOM 767 N CYS A 404 -15.198 -0.808 -2.337 1.00 0.00 N ATOM 768 CA CYS A 404 -13.934 -0.199 -1.927 1.00 0.00 C ATOM 769 C CYS A 404 -13.744 1.122 -2.667 1.00 0.00 C ATOM 770 O CYS A 404 -13.815 1.164 -3.892 1.00 0.00 O ATOM 771 CB CYS A 404 -12.755 -1.137 -2.222 1.00 0.00 C ATOM 772 SG CYS A 404 -11.121 -0.454 -1.781 1.00 0.00 S ATOM 0 H CYS A 404 -15.489 -0.563 -3.284 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.965 -0.017 -0.853 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.904 -2.070 -1.679 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.758 -1.382 -3.284 1.00 0.00 H new ATOM 777 N THR A 405 -13.518 2.201 -1.921 1.00 0.00 N ATOM 778 CA THR A 405 -13.339 3.516 -2.528 1.00 0.00 C ATOM 779 C THR A 405 -12.320 4.355 -1.765 1.00 0.00 C ATOM 780 O THR A 405 -12.365 4.448 -0.540 1.00 0.00 O ATOM 781 CB THR A 405 -14.668 4.295 -2.592 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.162 4.528 -1.267 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.710 3.532 -3.397 1.00 0.00 C ATOM 0 H THR A 405 -13.455 2.191 -0.903 1.00 0.00 H new ATOM 0 HA THR A 405 -12.973 3.337 -3.539 1.00 0.00 H new ATOM 0 HB THR A 405 -14.479 5.248 -3.086 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.679 3.751 -0.969 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.638 4.104 -3.426 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.345 3.380 -4.413 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.895 2.565 -2.929 1.00 0.00 H new ATOM 791 N LEU A 406 -11.406 4.967 -2.511 1.00 0.00 N ATOM 792 CA LEU A 406 -10.362 5.807 -1.940 1.00 0.00 C ATOM 793 C LEU A 406 -10.960 6.920 -1.092 1.00 0.00 C ATOM 794 O LEU A 406 -12.019 7.463 -1.410 1.00 0.00 O ATOM 795 CB LEU A 406 -9.513 6.401 -3.066 1.00 0.00 C ATOM 796 CG LEU A 406 -8.164 6.996 -2.657 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.341 8.318 -1.932 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.389 6.011 -1.803 1.00 0.00 C ATOM 0 H LEU A 406 -11.369 4.894 -3.528 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.734 5.193 -1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.333 5.621 -3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.095 7.180 -3.559 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.592 7.192 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.364 8.715 -1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -8.848 9.027 -2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -8.938 8.163 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.432 6.449 -1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -7.961 5.779 -0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.216 5.096 -2.369 1.00 0.00 H new ATOM 810 N ASP A 407 -10.262 7.262 -0.019 1.00 0.00 N ATOM 811 CA ASP A 407 -10.705 8.323 0.877 1.00 0.00 C ATOM 812 C ASP A 407 -9.564 9.301 1.139 1.00 0.00 C ATOM 813 O ASP A 407 -8.443 8.892 1.440 1.00 0.00 O ATOM 814 CB ASP A 407 -11.207 7.730 2.193 1.00 0.00 C ATOM 815 CG ASP A 407 -11.845 8.766 3.098 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.146 9.719 3.495 1.00 0.00 O ATOM 817 OD2 ASP A 407 -13.046 8.622 3.410 1.00 0.00 O ATOM 0 H ASP A 407 -9.384 6.820 0.254 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.525 8.861 0.403 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.932 6.945 1.979 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.374 7.261 2.716 1.00 0.00 H new ATOM 822 N LYS A 408 -9.853 10.592 1.010 1.00 0.00 N ATOM 823 CA LYS A 408 -8.846 11.625 1.221 1.00 0.00 C ATOM 824 C LYS A 408 -8.327 11.606 2.655 1.00 0.00 C ATOM 825 O LYS A 408 -7.119 11.642 2.887 1.00 0.00 O ATOM 826 CB LYS A 408 -9.423 13.004 0.896 1.00 0.00 C ATOM 827 CG LYS A 408 -10.044 13.098 -0.490 1.00 0.00 C ATOM 828 CD LYS A 408 -9.035 12.808 -1.597 1.00 0.00 C ATOM 829 CE LYS A 408 -7.980 13.901 -1.716 1.00 0.00 C ATOM 830 NZ LYS A 408 -7.084 13.956 -0.528 1.00 0.00 N ATOM 0 H LYS A 408 -10.776 10.947 0.760 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.011 11.418 0.552 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.178 13.256 1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -8.631 13.748 0.981 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -10.873 12.394 -0.563 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -10.460 14.095 -0.633 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -8.546 11.854 -1.400 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -9.560 12.707 -2.547 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -7.382 13.729 -2.611 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -8.472 14.865 -1.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -6.135 14.264 -0.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -7.467 14.630 0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -7.022 13.012 -0.096 1.00 0.00 H new ATOM 844 N GLU A 409 -9.247 11.552 3.615 1.00 0.00 N ATOM 845 CA GLU A 409 -8.882 11.529 5.029 1.00 0.00 C ATOM 846 C GLU A 409 -7.933 10.373 5.327 1.00 0.00 C ATOM 847 O GLU A 409 -6.931 10.542 6.023 1.00 0.00 O ATOM 848 CB GLU A 409 -10.135 11.409 5.901 1.00 0.00 C ATOM 849 CG GLU A 409 -11.134 12.539 5.701 1.00 0.00 C ATOM 850 CD GLU A 409 -10.589 13.894 6.119 1.00 0.00 C ATOM 851 OE1 GLU A 409 -9.450 13.949 6.627 1.00 0.00 O ATOM 852 OE2 GLU A 409 -11.308 14.900 5.943 1.00 0.00 O ATOM 0 H GLU A 409 -10.251 11.523 3.439 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.373 12.465 5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.626 10.460 5.686 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.836 11.383 6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -11.424 12.578 4.651 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -12.036 12.324 6.273 1.00 0.00 H new ATOM 859 N GLU A 410 -8.256 9.199 4.795 1.00 0.00 N ATOM 860 CA GLU A 410 -7.431 8.014 5.001 1.00 0.00 C ATOM 861 C GLU A 410 -6.063 8.196 4.354 1.00 0.00 C ATOM 862 O GLU A 410 -5.035 7.900 4.960 1.00 0.00 O ATOM 863 CB GLU A 410 -8.125 6.775 4.428 1.00 0.00 C ATOM 864 CG GLU A 410 -7.384 5.475 4.704 1.00 0.00 C ATOM 865 CD GLU A 410 -7.306 5.141 6.183 1.00 0.00 C ATOM 866 OE1 GLU A 410 -7.875 5.899 6.999 1.00 0.00 O ATOM 867 OE2 GLU A 410 -6.679 4.116 6.527 1.00 0.00 O ATOM 0 H GLU A 410 -9.083 9.043 4.218 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.293 7.874 6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.129 6.706 4.846 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.236 6.898 3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -7.882 4.660 4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.374 5.545 4.299 1.00 0.00 H new ATOM 874 N ALA A 411 -6.063 8.695 3.121 1.00 0.00 N ATOM 875 CA ALA A 411 -4.824 8.931 2.388 1.00 0.00 C ATOM 876 C ALA A 411 -3.887 9.834 3.181 1.00 0.00 C ATOM 877 O ALA A 411 -2.680 9.605 3.230 1.00 0.00 O ATOM 878 CB ALA A 411 -5.127 9.549 1.031 1.00 0.00 C ATOM 0 H ALA A 411 -6.909 8.944 2.608 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.327 7.972 2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.195 9.721 0.493 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -5.759 8.872 0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -5.645 10.498 1.171 1.00 0.00 H new ATOM 884 N LYS A 412 -4.459 10.860 3.802 1.00 0.00 N ATOM 885 CA LYS A 412 -3.689 11.805 4.602 1.00 0.00 C ATOM 886 C LYS A 412 -3.036 11.108 5.790 1.00 0.00 C ATOM 887 O LYS A 412 -1.882 11.380 6.126 1.00 0.00 O ATOM 888 CB LYS A 412 -4.598 12.932 5.093 1.00 0.00 C ATOM 889 CG LYS A 412 -5.217 13.748 3.969 1.00 0.00 C ATOM 890 CD LYS A 412 -6.262 14.723 4.490 1.00 0.00 C ATOM 891 CE LYS A 412 -5.656 15.756 5.427 1.00 0.00 C ATOM 892 NZ LYS A 412 -6.684 16.698 5.952 1.00 0.00 N ATOM 0 H LYS A 412 -5.459 11.059 3.766 1.00 0.00 H new ATOM 0 HA LYS A 412 -2.901 12.223 3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.395 12.506 5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.023 13.596 5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -4.435 14.298 3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.676 13.077 3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -6.737 15.229 3.650 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.044 14.172 5.013 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.168 15.249 6.260 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -4.885 16.317 4.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -6.232 17.387 6.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -7.132 17.200 5.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -7.407 16.166 6.477 1.00 0.00 H new ATOM 906 N LYS A 413 -3.782 10.209 6.423 1.00 0.00 N ATOM 907 CA LYS A 413 -3.292 9.471 7.571 1.00 0.00 C ATOM 908 C LYS A 413 -2.151 8.533 7.182 1.00 0.00 C ATOM 909 O LYS A 413 -1.121 8.481 7.855 1.00 0.00 O ATOM 910 CB LYS A 413 -4.445 8.684 8.195 1.00 0.00 C ATOM 911 CG LYS A 413 -3.999 7.668 9.223 1.00 0.00 C ATOM 912 CD LYS A 413 -5.178 6.892 9.787 1.00 0.00 C ATOM 913 CE LYS A 413 -4.729 5.863 10.813 1.00 0.00 C ATOM 914 NZ LYS A 413 -4.034 6.496 11.967 1.00 0.00 N ATOM 0 H LYS A 413 -4.738 9.976 6.153 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.898 10.179 8.300 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -5.139 9.382 8.664 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -4.994 8.172 7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -3.290 6.976 8.768 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -3.474 8.175 10.033 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -5.883 7.584 10.248 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -5.707 6.392 8.976 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -5.595 5.306 11.172 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -4.062 5.144 10.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -3.940 5.804 12.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -3.089 6.815 11.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -4.586 7.312 12.300 1.00 0.00 H new ATOM 928 N VAL A 414 -2.341 7.794 6.092 1.00 0.00 N ATOM 929 CA VAL A 414 -1.327 6.860 5.614 1.00 0.00 C ATOM 930 C VAL A 414 -0.054 7.596 5.210 1.00 0.00 C ATOM 931 O VAL A 414 1.051 7.190 5.569 1.00 0.00 O ATOM 932 CB VAL A 414 -1.840 6.038 4.418 1.00 0.00 C ATOM 933 CG1 VAL A 414 -0.772 5.068 3.933 1.00 0.00 C ATOM 934 CG2 VAL A 414 -3.114 5.293 4.790 1.00 0.00 C ATOM 0 H VAL A 414 -3.188 7.824 5.524 1.00 0.00 H new ATOM 0 HA VAL A 414 -1.104 6.181 6.437 1.00 0.00 H new ATOM 0 HB VAL A 414 -2.069 6.725 3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -1.156 4.497 3.087 1.00 0.00 H new ATOM 0 HG12 VAL A 414 0.112 5.625 3.623 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -0.506 4.386 4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -3.462 4.717 3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -2.911 4.618 5.622 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.882 6.009 5.082 1.00 0.00 H new ATOM 944 N ALA A 415 -0.220 8.685 4.467 1.00 0.00 N ATOM 945 CA ALA A 415 0.910 9.486 4.019 1.00 0.00 C ATOM 946 C ALA A 415 1.712 9.994 5.209 1.00 0.00 C ATOM 947 O ALA A 415 2.935 10.121 5.142 1.00 0.00 O ATOM 948 CB ALA A 415 0.428 10.650 3.166 1.00 0.00 C ATOM 0 H ALA A 415 -1.129 9.033 4.162 1.00 0.00 H new ATOM 0 HA ALA A 415 1.560 8.856 3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 415 1.284 11.240 2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.104 10.267 2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.242 11.278 3.753 1.00 0.00 H new ATOM 954 N ASP A 416 1.010 10.284 6.300 1.00 0.00 N ATOM 955 CA ASP A 416 1.646 10.779 7.517 1.00 0.00 C ATOM 956 C ASP A 416 2.287 9.634 8.302 1.00 0.00 C ATOM 957 O ASP A 416 2.287 9.629 9.534 1.00 0.00 O ATOM 958 CB ASP A 416 0.619 11.504 8.385 1.00 0.00 C ATOM 959 CG ASP A 416 1.246 12.186 9.585 1.00 0.00 C ATOM 960 OD1 ASP A 416 2.119 13.057 9.383 1.00 0.00 O ATOM 961 OD2 ASP A 416 0.866 11.852 10.726 1.00 0.00 O ATOM 0 H ASP A 416 -0.003 10.184 6.367 1.00 0.00 H new ATOM 0 HA ASP A 416 2.432 11.479 7.234 1.00 0.00 H new ATOM 0 HB2 ASP A 416 0.098 12.247 7.781 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -0.130 10.790 8.728 1.00 0.00 H new ATOM 966 N GLU A 417 2.838 8.668 7.576 1.00 0.00 N ATOM 967 CA GLU A 417 3.491 7.514 8.190 1.00 0.00 C ATOM 968 C GLU A 417 4.621 7.004 7.301 1.00 0.00 C ATOM 969 O GLU A 417 5.747 6.810 7.760 1.00 0.00 O ATOM 970 CB GLU A 417 2.483 6.387 8.432 1.00 0.00 C ATOM 971 CG GLU A 417 1.384 6.739 9.421 1.00 0.00 C ATOM 972 CD GLU A 417 0.410 5.598 9.636 1.00 0.00 C ATOM 973 OE1 GLU A 417 -0.224 5.165 8.652 1.00 0.00 O ATOM 974 OE2 GLU A 417 0.282 5.136 10.789 1.00 0.00 O ATOM 0 H GLU A 417 2.846 8.660 6.556 1.00 0.00 H new ATOM 0 HA GLU A 417 3.904 7.832 9.147 1.00 0.00 H new ATOM 0 HB2 GLU A 417 2.027 6.112 7.481 1.00 0.00 H new ATOM 0 HB3 GLU A 417 3.017 5.509 8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 417 1.833 7.014 10.375 1.00 0.00 H new ATOM 0 HG3 GLU A 417 0.841 7.613 9.060 1.00 0.00 H new ATOM 981 N THR A 418 4.310 6.796 6.025 1.00 0.00 N ATOM 982 CA THR A 418 5.294 6.315 5.062 1.00 0.00 C ATOM 983 C THR A 418 6.168 7.461 4.552 1.00 0.00 C ATOM 984 O THR A 418 6.377 7.614 3.348 1.00 0.00 O ATOM 985 CB THR A 418 4.616 5.613 3.873 1.00 0.00 C ATOM 986 OG1 THR A 418 5.598 5.189 2.921 1.00 0.00 O ATOM 987 CG2 THR A 418 3.619 6.541 3.208 1.00 0.00 C ATOM 0 H THR A 418 3.381 6.954 5.634 1.00 0.00 H new ATOM 0 HA THR A 418 5.925 5.592 5.580 1.00 0.00 H new ATOM 0 HB THR A 418 4.085 4.738 4.248 1.00 0.00 H new ATOM 0 HG1 THR A 418 6.173 5.947 2.685 1.00 0.00 H new ATOM 0 HG21 THR A 418 3.149 6.029 2.369 1.00 0.00 H new ATOM 0 HG22 THR A 418 2.856 6.832 3.930 1.00 0.00 H new ATOM 0 HG23 THR A 418 4.135 7.431 2.847 1.00 0.00 H new ATOM 995 N ALA A 419 6.672 8.269 5.481 1.00 0.00 N ATOM 996 CA ALA A 419 7.516 9.406 5.134 1.00 0.00 C ATOM 997 C ALA A 419 8.457 9.757 6.280 1.00 0.00 C ATOM 998 O ALA A 419 9.593 10.176 6.056 1.00 0.00 O ATOM 999 CB ALA A 419 6.657 10.606 4.769 1.00 0.00 C ATOM 0 H ALA A 419 6.509 8.156 6.482 1.00 0.00 H new ATOM 0 HA ALA A 419 8.122 9.130 4.271 1.00 0.00 H new ATOM 0 HB1 ALA A 419 7.299 11.448 4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 419 6.027 10.356 3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 419 6.028 10.875 5.618 1.00 0.00 H new ATOM 1005 N LYS A 420 7.975 9.581 7.510 1.00 0.00 N ATOM 1006 CA LYS A 420 8.773 9.875 8.698 1.00 0.00 C ATOM 1007 C LYS A 420 9.813 8.784 8.947 1.00 0.00 C ATOM 1008 O LYS A 420 10.056 8.397 10.090 1.00 0.00 O ATOM 1009 CB LYS A 420 7.866 10.012 9.924 1.00 0.00 C ATOM 1010 CG LYS A 420 6.863 11.148 9.822 1.00 0.00 C ATOM 1011 CD LYS A 420 6.013 11.251 11.078 1.00 0.00 C ATOM 1012 CE LYS A 420 5.049 12.423 11.001 1.00 0.00 C ATOM 1013 NZ LYS A 420 5.767 13.717 10.844 1.00 0.00 N ATOM 0 H LYS A 420 7.036 9.236 7.709 1.00 0.00 H new ATOM 0 HA LYS A 420 9.295 10.816 8.526 1.00 0.00 H new ATOM 0 HB2 LYS A 420 7.327 9.076 10.072 1.00 0.00 H new ATOM 0 HB3 LYS A 420 8.486 10.166 10.807 1.00 0.00 H new ATOM 0 HG2 LYS A 420 7.391 12.088 9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 420 6.219 10.990 8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 420 5.453 10.326 11.217 1.00 0.00 H new ATOM 0 HD3 LYS A 420 6.659 11.366 11.948 1.00 0.00 H new ATOM 0 HE2 LYS A 420 4.369 12.280 10.161 1.00 0.00 H new ATOM 0 HE3 LYS A 420 4.439 12.452 11.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 5.116 14.502 11.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 6.569 13.751 11.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 6.118 13.803 9.869 1.00 0.00 H new ATOM 1027 N ASP A 421 10.422 8.290 7.873 1.00 0.00 N ATOM 1028 CA ASP A 421 11.433 7.245 7.978 1.00 0.00 C ATOM 1029 C ASP A 421 12.642 7.738 8.766 1.00 0.00 C ATOM 1030 O ASP A 421 13.113 8.857 8.565 1.00 0.00 O ATOM 1031 CB ASP A 421 11.869 6.788 6.582 1.00 0.00 C ATOM 1032 CG ASP A 421 12.872 5.651 6.627 1.00 0.00 C ATOM 1033 OD1 ASP A 421 13.981 5.855 7.166 1.00 0.00 O ATOM 1034 OD2 ASP A 421 12.549 4.555 6.123 1.00 0.00 O ATOM 0 H ASP A 421 10.232 8.598 6.919 1.00 0.00 H new ATOM 0 HA ASP A 421 10.996 6.400 8.509 1.00 0.00 H new ATOM 0 HB2 ASP A 421 10.992 6.472 6.017 1.00 0.00 H new ATOM 0 HB3 ASP A 421 12.306 7.632 6.047 1.00 0.00 H new ATOM 1039 N GLY A 422 13.140 6.891 9.661 1.00 0.00 N ATOM 1040 CA GLY A 422 14.292 7.252 10.465 1.00 0.00 C ATOM 1041 C GLY A 422 13.982 8.322 11.493 1.00 0.00 C ATOM 1042 O GLY A 422 14.709 9.309 11.606 1.00 0.00 O ATOM 0 H GLY A 422 12.765 5.960 9.844 1.00 0.00 H new ATOM 0 HA2 GLY A 422 14.666 6.364 10.974 1.00 0.00 H new ATOM 0 HA3 GLY A 422 15.089 7.604 9.811 1.00 0.00 H new ATOM 1046 N LYS A 423 12.905 8.124 12.250 1.00 0.00 N ATOM 1047 CA LYS A 423 12.509 9.078 13.282 1.00 0.00 C ATOM 1048 C LYS A 423 13.652 9.304 14.266 1.00 0.00 C ATOM 1049 O LYS A 423 13.890 10.427 14.711 1.00 0.00 O ATOM 1050 CB LYS A 423 11.268 8.579 14.029 1.00 0.00 C ATOM 1051 CG LYS A 423 10.030 8.465 13.153 1.00 0.00 C ATOM 1052 CD LYS A 423 8.831 7.945 13.937 1.00 0.00 C ATOM 1053 CE LYS A 423 8.462 8.869 15.088 1.00 0.00 C ATOM 1054 NZ LYS A 423 8.132 10.243 14.617 1.00 0.00 N ATOM 0 H LYS A 423 12.292 7.313 12.168 1.00 0.00 H new ATOM 0 HA LYS A 423 12.269 10.024 12.797 1.00 0.00 H new ATOM 0 HB2 LYS A 423 11.485 7.604 14.464 1.00 0.00 H new ATOM 0 HB3 LYS A 423 11.056 9.257 14.856 1.00 0.00 H new ATOM 0 HG2 LYS A 423 9.793 9.441 12.730 1.00 0.00 H new ATOM 0 HG3 LYS A 423 10.236 7.797 12.317 1.00 0.00 H new ATOM 0 HD2 LYS A 423 7.977 7.840 13.268 1.00 0.00 H new ATOM 0 HD3 LYS A 423 9.055 6.952 14.326 1.00 0.00 H new ATOM 0 HE2 LYS A 423 7.609 8.455 15.626 1.00 0.00 H new ATOM 0 HE3 LYS A 423 9.291 8.917 15.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 7.710 10.786 15.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 9.000 10.717 14.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 7.456 10.187 13.829 1.00 0.00 H new ATOM 1068 N THR A 424 14.358 8.226 14.593 1.00 0.00 N ATOM 1069 CA THR A 424 15.483 8.290 15.520 1.00 0.00 C ATOM 1070 C THR A 424 16.557 7.281 15.128 1.00 0.00 C ATOM 1071 O THR A 424 16.252 6.146 14.762 1.00 0.00 O ATOM 1072 CB THR A 424 15.042 8.013 16.970 1.00 0.00 C ATOM 1073 OG1 THR A 424 14.406 6.733 17.054 1.00 0.00 O ATOM 1074 CG2 THR A 424 14.088 9.091 17.467 1.00 0.00 C ATOM 0 H THR A 424 14.169 7.293 14.227 1.00 0.00 H new ATOM 0 HA THR A 424 15.886 9.301 15.464 1.00 0.00 H new ATOM 0 HB THR A 424 15.931 8.020 17.600 1.00 0.00 H new ATOM 0 HG1 THR A 424 14.131 6.565 17.979 1.00 0.00 H new ATOM 0 HG21 THR A 424 13.793 8.871 18.493 1.00 0.00 H new ATOM 0 HG22 THR A 424 14.585 10.061 17.433 1.00 0.00 H new ATOM 0 HG23 THR A 424 13.203 9.114 16.832 1.00 0.00 H new ATOM 1082 N GLY A 425 17.815 7.704 15.201 1.00 0.00 N ATOM 1083 CA GLY A 425 18.914 6.826 14.844 1.00 0.00 C ATOM 1084 C GLY A 425 19.058 6.659 13.343 1.00 0.00 C ATOM 1085 O GLY A 425 18.068 6.477 12.633 1.00 0.00 O ATOM 0 H GLY A 425 18.093 8.639 15.501 1.00 0.00 H new ATOM 0 HA2 GLY A 425 19.842 7.226 15.253 1.00 0.00 H new ATOM 0 HA3 GLY A 425 18.758 5.849 15.302 1.00 0.00 H new ATOM 1089 N ASN A 426 20.295 6.727 12.860 1.00 0.00 N ATOM 1090 CA ASN A 426 20.575 6.589 11.435 1.00 0.00 C ATOM 1091 C ASN A 426 20.053 5.261 10.896 1.00 0.00 C ATOM 1092 O ASN A 426 20.151 4.228 11.558 1.00 0.00 O ATOM 1093 CB ASN A 426 22.080 6.701 11.178 1.00 0.00 C ATOM 1094 CG ASN A 426 22.428 6.621 9.704 1.00 0.00 C ATOM 1095 OD1 ASN A 426 22.173 5.610 9.046 1.00 0.00 O ATOM 1096 ND2 ASN A 426 23.013 7.688 9.176 1.00 0.00 N ATOM 0 H ASN A 426 21.122 6.877 13.437 1.00 0.00 H new ATOM 0 HA ASN A 426 20.060 7.395 10.912 1.00 0.00 H new ATOM 0 HB2 ASN A 426 22.445 7.645 11.583 1.00 0.00 H new ATOM 0 HB3 ASN A 426 22.596 5.904 11.713 1.00 0.00 H new ATOM 0 HD21 ASN A 426 23.270 7.693 8.189 1.00 0.00 H new ATOM 0 HD22 ASN A 426 23.206 8.504 9.757 1.00 0.00 H new ATOM 1103 N THR A 427 19.500 5.302 9.687 1.00 0.00 N ATOM 1104 CA THR A 427 18.957 4.108 9.047 1.00 0.00 C ATOM 1105 C THR A 427 18.562 4.398 7.602 1.00 0.00 C ATOM 1106 O THR A 427 18.008 5.455 7.303 1.00 0.00 O ATOM 1107 CB THR A 427 17.731 3.566 9.808 1.00 0.00 C ATOM 1108 OG1 THR A 427 17.210 2.412 9.139 1.00 0.00 O ATOM 1109 CG2 THR A 427 16.647 4.628 9.917 1.00 0.00 C ATOM 0 H THR A 427 19.416 6.152 9.130 1.00 0.00 H new ATOM 0 HA THR A 427 19.742 3.352 9.064 1.00 0.00 H new ATOM 0 HB THR A 427 18.049 3.290 10.814 1.00 0.00 H new ATOM 0 HG1 THR A 427 16.432 2.073 9.630 1.00 0.00 H new ATOM 0 HG21 THR A 427 15.792 4.221 10.458 1.00 0.00 H new ATOM 0 HG22 THR A 427 17.038 5.493 10.453 1.00 0.00 H new ATOM 0 HG23 THR A 427 16.333 4.931 8.918 1.00 0.00 H new ATOM 1117 N ASN A 428 18.853 3.453 6.711 1.00 0.00 N ATOM 1118 CA ASN A 428 18.531 3.607 5.300 1.00 0.00 C ATOM 1119 C ASN A 428 18.846 2.326 4.526 1.00 0.00 C ATOM 1120 O ASN A 428 18.612 1.223 5.021 1.00 0.00 O ATOM 1121 CB ASN A 428 19.304 4.790 4.708 1.00 0.00 C ATOM 1122 CG ASN A 428 20.805 4.635 4.861 1.00 0.00 C ATOM 1123 OD1 ASN A 428 21.319 4.540 5.976 1.00 0.00 O ATOM 1124 ND2 ASN A 428 21.516 4.611 3.740 1.00 0.00 N ATOM 0 H ASN A 428 19.312 2.572 6.945 1.00 0.00 H new ATOM 0 HA ASN A 428 17.462 3.803 5.212 1.00 0.00 H new ATOM 0 HB2 ASN A 428 19.058 4.889 3.651 1.00 0.00 H new ATOM 0 HB3 ASN A 428 18.985 5.710 5.197 1.00 0.00 H new ATOM 0 HD21 ASN A 428 22.530 4.511 3.781 1.00 0.00 H new ATOM 0 HD22 ASN A 428 21.048 4.693 2.837 1.00 0.00 H new ATOM 1131 N THR A 429 19.374 2.476 3.312 1.00 0.00 N ATOM 1132 CA THR A 429 19.715 1.328 2.479 1.00 0.00 C ATOM 1133 C THR A 429 20.759 0.446 3.155 1.00 0.00 C ATOM 1134 O THR A 429 21.752 0.945 3.687 1.00 0.00 O ATOM 1135 CB THR A 429 20.250 1.772 1.103 1.00 0.00 C ATOM 1136 OG1 THR A 429 21.431 2.565 1.269 1.00 0.00 O ATOM 1137 CG2 THR A 429 19.199 2.571 0.346 1.00 0.00 C ATOM 0 H THR A 429 19.574 3.381 2.885 1.00 0.00 H new ATOM 0 HA THR A 429 18.797 0.757 2.339 1.00 0.00 H new ATOM 0 HB THR A 429 20.491 0.879 0.526 1.00 0.00 H new ATOM 0 HG1 THR A 429 21.765 2.842 0.390 1.00 0.00 H new ATOM 0 HG21 THR A 429 19.599 2.873 -0.622 1.00 0.00 H new ATOM 0 HG22 THR A 429 18.312 1.955 0.196 1.00 0.00 H new ATOM 0 HG23 THR A 429 18.932 3.457 0.921 1.00 0.00 H new ATOM 1145 N THR A 430 20.519 -0.868 3.128 1.00 0.00 N ATOM 1146 CA THR A 430 21.422 -1.851 3.731 1.00 0.00 C ATOM 1147 C THR A 430 22.007 -1.349 5.051 1.00 0.00 C ATOM 1148 O THR A 430 23.204 -1.489 5.310 1.00 0.00 O ATOM 1149 CB THR A 430 22.565 -2.253 2.769 1.00 0.00 C ATOM 1150 OG1 THR A 430 23.393 -3.249 3.383 1.00 0.00 O ATOM 1151 CG2 THR A 430 23.419 -1.056 2.380 1.00 0.00 C ATOM 0 H THR A 430 19.695 -1.279 2.689 1.00 0.00 H new ATOM 0 HA THR A 430 20.818 -2.735 3.934 1.00 0.00 H new ATOM 0 HB THR A 430 22.109 -2.654 1.864 1.00 0.00 H new ATOM 0 HG1 THR A 430 23.738 -2.908 4.235 1.00 0.00 H new ATOM 0 HG21 THR A 430 24.211 -1.378 1.704 1.00 0.00 H new ATOM 0 HG22 THR A 430 22.797 -0.312 1.882 1.00 0.00 H new ATOM 0 HG23 THR A 430 23.862 -0.619 3.275 1.00 0.00 H new ATOM 1159 N GLY A 431 21.151 -0.768 5.886 1.00 0.00 N ATOM 1160 CA GLY A 431 21.593 -0.258 7.170 1.00 0.00 C ATOM 1161 C GLY A 431 22.035 -1.365 8.105 1.00 0.00 C ATOM 1162 O GLY A 431 21.382 -2.406 8.192 1.00 0.00 O ATOM 0 H GLY A 431 20.157 -0.641 5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 431 22.418 0.438 7.018 1.00 0.00 H new ATOM 0 HA3 GLY A 431 20.783 0.305 7.634 1.00 0.00 H new ATOM 1166 N SER A 432 23.145 -1.146 8.801 1.00 0.00 N ATOM 1167 CA SER A 432 23.665 -2.141 9.728 1.00 0.00 C ATOM 1168 C SER A 432 22.638 -2.466 10.808 1.00 0.00 C ATOM 1169 O SER A 432 22.365 -1.648 11.686 1.00 0.00 O ATOM 1170 CB SER A 432 24.959 -1.640 10.373 1.00 0.00 C ATOM 1171 OG SER A 432 25.493 -2.605 11.262 1.00 0.00 O ATOM 0 H SER A 432 23.699 -0.292 8.741 1.00 0.00 H new ATOM 0 HA SER A 432 23.876 -3.051 9.166 1.00 0.00 H new ATOM 0 HB2 SER A 432 25.690 -1.411 9.598 1.00 0.00 H new ATOM 0 HB3 SER A 432 24.765 -0.713 10.912 1.00 0.00 H new ATOM 0 HG SER A 432 26.320 -2.261 11.660 1.00 0.00 H new ATOM 1177 N SER A 433 22.075 -3.668 10.736 1.00 0.00 N ATOM 1178 CA SER A 433 21.078 -4.107 11.706 1.00 0.00 C ATOM 1179 C SER A 433 21.671 -4.165 13.109 1.00 0.00 C ATOM 1180 O SER A 433 21.284 -3.326 13.949 1.00 0.00 O ATOM 1181 CB SER A 433 20.525 -5.479 11.315 1.00 0.00 C ATOM 1182 OG SER A 433 21.561 -6.444 11.240 1.00 0.00 O ATOM 1183 OXT SER A 433 22.519 -5.047 13.357 1.00 0.00 O ATOM 0 H SER A 433 22.293 -4.356 10.015 1.00 0.00 H new ATOM 0 HA SER A 433 20.264 -3.382 11.706 1.00 0.00 H new ATOM 0 HB2 SER A 433 19.781 -5.796 12.045 1.00 0.00 H new ATOM 0 HB3 SER A 433 20.018 -5.409 10.353 1.00 0.00 H new ATOM 0 HG SER A 433 22.283 -6.198 11.856 1.00 0.00 H new TER 1189 SER A 433