USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 305 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 Single : A 384 SER OG : rot 35:sc= 0.228 USER MOD Single : A 390 ASN :FLIP amide:sc= -0.0453 F(o=-0.94!,f=-0.045) USER MOD Single : A 391 LYS NZ :NH3+ -105:sc= -1.5! (180deg=-3.99!) USER MOD Single : A 393 THR OG1 : rot 180:sc= 0 USER MOD Single : A 397 LYS NZ :NH3+ -166:sc= -0.0229 (180deg=-0.238) USER MOD Single : A 399 SER OG : rot 180:sc= 0 USER MOD Single : A 402 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0554) USER MOD Single : A 405 SER OG : rot 180:sc= 0 USER MOD Single : A 407 HIS : no HD1:sc= -1.48 X(o=-1.5,f=-0.99) USER MOD Single : A 408 LYS NZ :NH3+ -172:sc=-0.00176 (180deg=-0.0535) USER MOD Single : A 411 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000778) USER MOD Single : A 415 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 416 ASN : amide:sc= -0.101 K(o=-0.1,f=-0.84) USER MOD Single : A 418 GLN : amide:sc= 0.365 K(o=0.36,f=-0.15) USER MOD Single : A 420 ASN : amide:sc= -1.54! C(o=-1.5!,f=-6.6!) USER MOD Single : A 421 SER OG : rot 15:sc= 0.912 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 423 LYS NZ :NH3+ -169:sc=-0.00977 (180deg=-0.136) USER MOD ----------------------------------------------------------------- ATOM 32 N SER A 384 -4.755 11.439 -1.999 1.00 0.00 N ATOM 33 CA SER A 384 -5.048 11.058 -0.617 1.00 0.00 C ATOM 34 C SER A 384 -5.120 9.537 -0.405 1.00 0.00 C ATOM 35 O SER A 384 -4.493 9.025 0.519 1.00 0.00 O ATOM 36 CB SER A 384 -6.342 11.712 -0.154 1.00 0.00 C ATOM 37 OG SER A 384 -6.338 13.100 -0.447 1.00 0.00 O ATOM 0 HA SER A 384 -4.213 11.417 -0.015 1.00 0.00 H new ATOM 0 HB2 SER A 384 -7.191 11.235 -0.643 1.00 0.00 H new ATOM 0 HB3 SER A 384 -6.467 11.563 0.918 1.00 0.00 H new ATOM 0 HG SER A 384 -5.868 13.254 -1.293 1.00 0.00 H new ATOM 43 N PRO A 385 -5.886 8.776 -1.220 1.00 0.00 N ATOM 44 CA PRO A 385 -5.987 7.322 -1.041 1.00 0.00 C ATOM 45 C PRO A 385 -4.638 6.630 -1.214 1.00 0.00 C ATOM 46 O PRO A 385 -4.349 5.633 -0.555 1.00 0.00 O ATOM 47 CB PRO A 385 -6.964 6.874 -2.128 1.00 0.00 C ATOM 48 CG PRO A 385 -6.979 7.983 -3.123 1.00 0.00 C ATOM 49 CD PRO A 385 -6.717 9.242 -2.345 1.00 0.00 C ATOM 0 HA PRO A 385 -6.320 7.063 -0.036 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.641 5.939 -2.586 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.958 6.701 -1.716 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -6.217 7.831 -3.888 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -7.940 8.034 -3.636 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -6.198 9.987 -2.948 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -7.643 9.701 -1.999 1.00 0.00 H new ATOM 57 N GLU A 386 -3.781 7.208 -2.038 1.00 0.00 N ATOM 58 CA GLU A 386 -2.429 6.701 -2.178 1.00 0.00 C ATOM 59 C GLU A 386 -1.614 7.102 -0.955 1.00 0.00 C ATOM 60 O GLU A 386 -0.889 6.287 -0.385 1.00 0.00 O ATOM 61 CB GLU A 386 -1.781 7.231 -3.456 1.00 0.00 C ATOM 62 CG GLU A 386 -0.521 6.480 -3.844 1.00 0.00 C ATOM 63 CD GLU A 386 0.045 6.940 -5.168 1.00 0.00 C ATOM 64 OE1 GLU A 386 -0.704 6.951 -6.169 1.00 0.00 O ATOM 65 OE2 GLU A 386 1.246 7.280 -5.221 1.00 0.00 O ATOM 0 H GLU A 386 -3.995 8.021 -2.615 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.460 5.614 -2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.500 7.168 -4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -1.541 8.286 -3.323 1.00 0.00 H new ATOM 0 HG2 GLU A 386 0.231 6.613 -3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.740 5.414 -3.897 1.00 0.00 H new ATOM 72 N ALA A 387 -1.804 8.347 -0.530 1.00 0.00 N ATOM 73 CA ALA A 387 -1.137 8.896 0.644 1.00 0.00 C ATOM 74 C ALA A 387 -1.428 8.073 1.891 1.00 0.00 C ATOM 75 O ALA A 387 -0.534 7.837 2.708 1.00 0.00 O ATOM 76 CB ALA A 387 -1.571 10.340 0.864 1.00 0.00 C ATOM 0 H ALA A 387 -2.429 9.007 -0.994 1.00 0.00 H new ATOM 0 HA ALA A 387 -0.063 8.861 0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -1.067 10.741 1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -1.307 10.936 -0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -2.650 10.377 1.016 1.00 0.00 H new ATOM 82 N GLU A 388 -2.685 7.678 2.061 1.00 0.00 N ATOM 83 CA GLU A 388 -3.088 6.935 3.243 1.00 0.00 C ATOM 84 C GLU A 388 -2.357 5.596 3.313 1.00 0.00 C ATOM 85 O GLU A 388 -1.791 5.256 4.347 1.00 0.00 O ATOM 86 CB GLU A 388 -4.613 6.755 3.291 1.00 0.00 C ATOM 87 CG GLU A 388 -5.195 5.823 2.246 1.00 0.00 C ATOM 88 CD GLU A 388 -6.708 5.808 2.276 1.00 0.00 C ATOM 89 OE1 GLU A 388 -7.326 6.873 2.054 1.00 0.00 O ATOM 90 OE2 GLU A 388 -7.291 4.736 2.541 1.00 0.00 O ATOM 0 H GLU A 388 -3.437 7.860 1.397 1.00 0.00 H new ATOM 0 HA GLU A 388 -2.805 7.512 4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.886 6.381 4.278 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -5.080 7.734 3.180 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.855 6.131 1.257 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -4.820 4.813 2.412 1.00 0.00 H new ATOM 97 N CYS A 389 -2.260 4.908 2.180 1.00 0.00 N ATOM 98 CA CYS A 389 -1.482 3.674 2.091 1.00 0.00 C ATOM 99 C CYS A 389 0.008 3.956 2.290 1.00 0.00 C ATOM 100 O CYS A 389 0.705 3.189 2.945 1.00 0.00 O ATOM 101 CB CYS A 389 -1.703 3.008 0.734 1.00 0.00 C ATOM 102 SG CYS A 389 -3.412 2.460 0.430 1.00 0.00 S ATOM 0 H CYS A 389 -2.711 5.184 1.308 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.819 3.003 2.881 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.414 3.707 -0.051 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -1.039 2.147 0.654 1.00 0.00 H new ATOM 107 N ASN A 390 0.479 5.079 1.747 1.00 0.00 N ATOM 108 CA ASN A 390 1.885 5.477 1.869 1.00 0.00 C ATOM 109 C ASN A 390 2.318 5.563 3.331 1.00 0.00 C ATOM 110 O ASN A 390 3.492 5.379 3.650 1.00 0.00 O ATOM 111 CB ASN A 390 2.130 6.828 1.186 1.00 0.00 C ATOM 112 CG ASN A 390 2.181 6.752 -0.334 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.253 5.549 -0.883 1.00 0.00 O flip ATOM 114 ND2 ASN A 390 2.179 7.781 -1.011 1.00 0.00 N flip ATOM 0 H ASN A 390 -0.095 5.733 1.215 1.00 0.00 H new ATOM 0 HA ASN A 390 2.480 4.709 1.374 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.341 7.520 1.479 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.070 7.243 1.551 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.122 8.692 -0.555 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.234 7.723 -2.028 1.00 0.00 H new ATOM 121 N LYS A 391 1.364 5.863 4.209 1.00 0.00 N ATOM 122 CA LYS A 391 1.629 5.962 5.641 1.00 0.00 C ATOM 123 C LYS A 391 2.114 4.631 6.209 1.00 0.00 C ATOM 124 O LYS A 391 2.949 4.598 7.114 1.00 0.00 O ATOM 125 CB LYS A 391 0.367 6.402 6.384 1.00 0.00 C ATOM 126 CG LYS A 391 -0.033 7.844 6.120 1.00 0.00 C ATOM 127 CD LYS A 391 0.971 8.834 6.698 1.00 0.00 C ATOM 128 CE LYS A 391 0.958 8.848 8.224 1.00 0.00 C ATOM 129 NZ LYS A 391 1.710 7.708 8.817 1.00 0.00 N ATOM 0 H LYS A 391 0.394 6.043 3.951 1.00 0.00 H new ATOM 0 HA LYS A 391 2.414 6.705 5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 391 -0.457 5.749 6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 391 0.523 6.269 7.455 1.00 0.00 H new ATOM 0 HG2 LYS A 391 -0.121 8.004 5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 391 -1.016 8.032 6.552 1.00 0.00 H new ATOM 0 HD2 LYS A 391 1.971 8.580 6.348 1.00 0.00 H new ATOM 0 HD3 LYS A 391 0.747 9.834 6.326 1.00 0.00 H new ATOM 0 HE2 LYS A 391 1.388 9.785 8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 391 -0.074 8.819 8.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 1.039 7.004 9.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 2.307 7.269 8.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 2.310 8.054 9.593 1.00 0.00 H new ATOM 143 N ILE A 392 1.540 3.547 5.711 1.00 0.00 N ATOM 144 CA ILE A 392 1.879 2.213 6.167 1.00 0.00 C ATOM 145 C ILE A 392 3.324 1.874 5.792 1.00 0.00 C ATOM 146 O ILE A 392 3.733 2.029 4.638 1.00 0.00 O ATOM 147 CB ILE A 392 0.929 1.145 5.561 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.529 1.325 6.021 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.408 -0.246 5.936 1.00 0.00 C ATOM 150 CD1 ILE A 392 -1.208 2.586 5.550 1.00 0.00 C ATOM 0 H ILE A 392 0.828 3.570 4.981 1.00 0.00 H new ATOM 0 HA ILE A 392 1.767 2.201 7.251 1.00 0.00 H new ATOM 0 HB ILE A 392 0.952 1.274 4.479 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -1.109 0.470 5.674 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -0.553 1.306 7.111 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.737 -0.990 5.507 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.415 -0.401 5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.417 -0.348 7.021 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -2.229 2.613 5.930 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -0.661 3.453 5.919 1.00 0.00 H new ATOM 0 HD13 ILE A 392 -1.226 2.604 4.460 1.00 0.00 H new ATOM 162 N THR A 393 4.100 1.444 6.774 1.00 0.00 N ATOM 163 CA THR A 393 5.497 1.112 6.551 1.00 0.00 C ATOM 164 C THR A 393 5.739 -0.396 6.643 1.00 0.00 C ATOM 165 O THR A 393 6.668 -0.921 6.035 1.00 0.00 O ATOM 166 CB THR A 393 6.405 1.853 7.550 1.00 0.00 C ATOM 167 OG1 THR A 393 5.869 1.740 8.876 1.00 0.00 O ATOM 168 CG2 THR A 393 6.535 3.322 7.173 1.00 0.00 C ATOM 0 H THR A 393 3.784 1.317 7.736 1.00 0.00 H new ATOM 0 HA THR A 393 5.747 1.435 5.541 1.00 0.00 H new ATOM 0 HB THR A 393 7.394 1.396 7.519 1.00 0.00 H new ATOM 0 HG1 THR A 393 6.453 2.212 9.506 1.00 0.00 H new ATOM 0 HG21 THR A 393 7.181 3.826 7.892 1.00 0.00 H new ATOM 0 HG22 THR A 393 6.968 3.405 6.176 1.00 0.00 H new ATOM 0 HG23 THR A 393 5.550 3.788 7.181 1.00 0.00 H new ATOM 176 N GLU A 394 4.909 -1.084 7.420 1.00 0.00 N ATOM 177 CA GLU A 394 5.034 -2.529 7.588 1.00 0.00 C ATOM 178 C GLU A 394 4.364 -3.280 6.438 1.00 0.00 C ATOM 179 O GLU A 394 3.242 -2.952 6.045 1.00 0.00 O ATOM 180 CB GLU A 394 4.411 -2.961 8.916 1.00 0.00 C ATOM 181 CG GLU A 394 5.181 -2.495 10.141 1.00 0.00 C ATOM 182 CD GLU A 394 6.473 -3.260 10.349 1.00 0.00 C ATOM 183 OE1 GLU A 394 7.384 -3.156 9.502 1.00 0.00 O ATOM 184 OE2 GLU A 394 6.578 -3.985 11.360 1.00 0.00 O ATOM 0 H GLU A 394 4.141 -0.664 7.944 1.00 0.00 H new ATOM 0 HA GLU A 394 6.096 -2.775 7.587 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.393 -2.575 8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.341 -4.049 8.936 1.00 0.00 H new ATOM 0 HG2 GLU A 394 5.405 -1.433 10.041 1.00 0.00 H new ATOM 0 HG3 GLU A 394 4.552 -2.607 11.024 1.00 0.00 H new ATOM 191 N GLU A 395 5.016 -4.342 5.963 1.00 0.00 N ATOM 192 CA GLU A 395 4.454 -5.197 4.934 1.00 0.00 C ATOM 193 C GLU A 395 3.133 -5.825 5.395 1.00 0.00 C ATOM 194 O GLU A 395 2.134 -5.727 4.687 1.00 0.00 O ATOM 195 CB GLU A 395 5.436 -6.308 4.561 1.00 0.00 C ATOM 196 CG GLU A 395 6.801 -5.837 4.095 1.00 0.00 C ATOM 197 CD GLU A 395 7.681 -6.982 3.635 1.00 0.00 C ATOM 198 OE1 GLU A 395 7.167 -8.110 3.486 1.00 0.00 O ATOM 199 OE2 GLU A 395 8.893 -6.756 3.403 1.00 0.00 O ATOM 0 H GLU A 395 5.942 -4.627 6.283 1.00 0.00 H new ATOM 0 HA GLU A 395 4.262 -4.573 4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 395 5.570 -6.958 5.426 1.00 0.00 H new ATOM 0 HB3 GLU A 395 4.990 -6.915 3.773 1.00 0.00 H new ATOM 0 HG2 GLU A 395 6.678 -5.126 3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 395 7.296 -5.306 4.908 1.00 0.00 H new ATOM 206 N PRO A 396 3.100 -6.502 6.573 1.00 0.00 N ATOM 207 CA PRO A 396 1.883 -7.169 7.059 1.00 0.00 C ATOM 208 C PRO A 396 0.704 -6.213 7.179 1.00 0.00 C ATOM 209 O PRO A 396 -0.413 -6.539 6.779 1.00 0.00 O ATOM 210 CB PRO A 396 2.280 -7.703 8.438 1.00 0.00 C ATOM 211 CG PRO A 396 3.758 -7.848 8.371 1.00 0.00 C ATOM 212 CD PRO A 396 4.235 -6.723 7.499 1.00 0.00 C ATOM 0 HA PRO A 396 1.551 -7.946 6.371 1.00 0.00 H new ATOM 0 HB2 PRO A 396 1.984 -7.015 9.230 1.00 0.00 H new ATOM 0 HB3 PRO A 396 1.797 -8.657 8.648 1.00 0.00 H new ATOM 0 HG2 PRO A 396 4.203 -7.790 9.364 1.00 0.00 H new ATOM 0 HG3 PRO A 396 4.038 -8.815 7.952 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.458 -5.829 8.082 1.00 0.00 H new ATOM 0 HD3 PRO A 396 5.146 -6.989 6.962 1.00 0.00 H new ATOM 220 N LYS A 397 0.968 -5.019 7.693 1.00 0.00 N ATOM 221 CA LYS A 397 -0.071 -4.009 7.838 1.00 0.00 C ATOM 222 C LYS A 397 -0.614 -3.584 6.478 1.00 0.00 C ATOM 223 O LYS A 397 -1.827 -3.479 6.293 1.00 0.00 O ATOM 224 CB LYS A 397 0.458 -2.796 8.600 1.00 0.00 C ATOM 225 CG LYS A 397 0.781 -3.089 10.055 1.00 0.00 C ATOM 226 CD LYS A 397 1.268 -1.846 10.778 1.00 0.00 C ATOM 227 CE LYS A 397 1.555 -2.128 12.243 1.00 0.00 C ATOM 228 NZ LYS A 397 0.332 -2.543 12.981 1.00 0.00 N ATOM 0 H LYS A 397 1.890 -4.727 8.016 1.00 0.00 H new ATOM 0 HA LYS A 397 -0.888 -4.449 8.410 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.356 -2.428 8.104 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -0.282 -1.997 8.554 1.00 0.00 H new ATOM 0 HG2 LYS A 397 -0.106 -3.478 10.555 1.00 0.00 H new ATOM 0 HG3 LYS A 397 1.544 -3.866 10.110 1.00 0.00 H new ATOM 0 HD2 LYS A 397 2.171 -1.474 10.295 1.00 0.00 H new ATOM 0 HD3 LYS A 397 0.517 -1.060 10.698 1.00 0.00 H new ATOM 0 HE2 LYS A 397 2.308 -2.912 12.320 1.00 0.00 H new ATOM 0 HE3 LYS A 397 1.974 -1.236 12.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 0.511 -2.496 14.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 -0.453 -1.906 12.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 0.082 -3.517 12.718 1.00 0.00 H new ATOM 242 N CYS A 398 0.282 -3.358 5.528 1.00 0.00 N ATOM 243 CA CYS A 398 -0.120 -2.958 4.185 1.00 0.00 C ATOM 244 C CYS A 398 -0.857 -4.088 3.488 1.00 0.00 C ATOM 245 O CYS A 398 -1.868 -3.871 2.824 1.00 0.00 O ATOM 246 CB CYS A 398 1.095 -2.550 3.357 1.00 0.00 C ATOM 247 SG CYS A 398 0.671 -1.737 1.786 1.00 0.00 S ATOM 0 H CYS A 398 1.290 -3.444 5.660 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.789 -2.102 4.277 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.717 -1.877 3.948 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.694 -3.436 3.147 1.00 0.00 H new ATOM 252 N SER A 399 -0.342 -5.297 3.652 1.00 0.00 N ATOM 253 CA SER A 399 -0.938 -6.473 3.049 1.00 0.00 C ATOM 254 C SER A 399 -2.339 -6.704 3.615 1.00 0.00 C ATOM 255 O SER A 399 -3.254 -7.096 2.890 1.00 0.00 O ATOM 256 CB SER A 399 -0.044 -7.692 3.295 1.00 0.00 C ATOM 257 OG SER A 399 -0.436 -8.791 2.490 1.00 0.00 O ATOM 0 H SER A 399 0.495 -5.487 4.203 1.00 0.00 H new ATOM 0 HA SER A 399 -1.027 -6.319 1.974 1.00 0.00 H new ATOM 0 HB2 SER A 399 0.993 -7.434 3.081 1.00 0.00 H new ATOM 0 HB3 SER A 399 -0.092 -7.974 4.347 1.00 0.00 H new ATOM 0 HG SER A 399 0.154 -9.553 2.668 1.00 0.00 H new ATOM 263 N GLU A 400 -2.507 -6.397 4.902 1.00 0.00 N ATOM 264 CA GLU A 400 -3.800 -6.512 5.563 1.00 0.00 C ATOM 265 C GLU A 400 -4.816 -5.579 4.912 1.00 0.00 C ATOM 266 O GLU A 400 -5.965 -5.960 4.675 1.00 0.00 O ATOM 267 CB GLU A 400 -3.676 -6.175 7.050 1.00 0.00 C ATOM 268 CG GLU A 400 -4.972 -6.359 7.823 1.00 0.00 C ATOM 269 CD GLU A 400 -4.948 -5.686 9.179 1.00 0.00 C ATOM 270 OE1 GLU A 400 -3.948 -5.018 9.505 1.00 0.00 O ATOM 271 OE2 GLU A 400 -5.947 -5.799 9.917 1.00 0.00 O ATOM 0 H GLU A 400 -1.756 -6.065 5.507 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.142 -7.542 5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -2.905 -6.804 7.494 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.344 -5.142 7.154 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -5.799 -5.957 7.238 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -5.163 -7.424 7.955 1.00 0.00 H new ATOM 278 N GLU A 401 -4.381 -4.363 4.604 1.00 0.00 N ATOM 279 CA GLU A 401 -5.234 -3.392 3.936 1.00 0.00 C ATOM 280 C GLU A 401 -5.612 -3.897 2.548 1.00 0.00 C ATOM 281 O GLU A 401 -4.798 -4.504 1.853 1.00 0.00 O ATOM 282 CB GLU A 401 -4.536 -2.033 3.836 1.00 0.00 C ATOM 283 CG GLU A 401 -4.241 -1.388 5.182 1.00 0.00 C ATOM 284 CD GLU A 401 -5.497 -1.072 5.972 1.00 0.00 C ATOM 285 OE1 GLU A 401 -6.187 -2.017 6.416 1.00 0.00 O ATOM 286 OE2 GLU A 401 -5.807 0.126 6.150 1.00 0.00 O ATOM 0 H GLU A 401 -3.440 -4.027 4.808 1.00 0.00 H new ATOM 0 HA GLU A 401 -6.142 -3.265 4.526 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.600 -2.156 3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -5.160 -1.358 3.250 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -3.607 -2.054 5.768 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -3.677 -0.469 5.023 1.00 0.00 H new ATOM 293 N LYS A 402 -6.870 -3.721 2.184 1.00 0.00 N ATOM 294 CA LYS A 402 -7.370 -4.217 0.912 1.00 0.00 C ATOM 295 C LYS A 402 -7.012 -3.269 -0.223 1.00 0.00 C ATOM 296 O LYS A 402 -6.649 -3.702 -1.317 1.00 0.00 O ATOM 297 CB LYS A 402 -8.887 -4.412 0.975 1.00 0.00 C ATOM 298 CG LYS A 402 -9.323 -5.430 2.017 1.00 0.00 C ATOM 299 CD LYS A 402 -10.836 -5.568 2.060 1.00 0.00 C ATOM 300 CE LYS A 402 -11.279 -6.635 3.051 1.00 0.00 C ATOM 301 NZ LYS A 402 -10.930 -6.284 4.452 1.00 0.00 N ATOM 0 H LYS A 402 -7.566 -3.238 2.752 1.00 0.00 H new ATOM 0 HA LYS A 402 -6.897 -5.179 0.716 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.360 -3.455 1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -9.246 -4.729 -0.004 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -8.874 -6.398 1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -8.956 -5.129 2.998 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -11.281 -4.611 2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -11.206 -5.819 1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -12.357 -6.776 2.972 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -10.813 -7.585 2.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -11.354 -6.979 5.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -9.896 -6.291 4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -11.296 -5.336 4.674 1.00 0.00 H new ATOM 315 N ILE A 403 -7.186 -1.976 0.017 1.00 0.00 N ATOM 316 CA ILE A 403 -6.975 -0.975 -1.021 1.00 0.00 C ATOM 317 C ILE A 403 -5.515 -0.513 -1.068 1.00 0.00 C ATOM 318 O ILE A 403 -5.131 0.317 -1.898 1.00 0.00 O ATOM 319 CB ILE A 403 -7.927 0.226 -0.820 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.132 0.971 -2.141 1.00 0.00 C ATOM 321 CG2 ILE A 403 -7.398 1.167 0.257 1.00 0.00 C ATOM 322 CD1 ILE A 403 -9.276 1.958 -2.106 1.00 0.00 C ATOM 0 H ILE A 403 -7.472 -1.596 0.919 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.202 -1.438 -1.981 1.00 0.00 H new ATOM 0 HB ILE A 403 -8.892 -0.155 -0.486 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -7.214 1.500 -2.397 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -8.313 0.245 -2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -8.086 2.004 0.379 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -7.311 0.628 1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -6.418 1.543 -0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -9.363 2.449 -3.075 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -10.204 1.432 -1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -9.088 2.706 -1.336 1.00 0.00 H new ATOM 334 N CYS A 404 -4.683 -1.157 -0.268 1.00 0.00 N ATOM 335 CA CYS A 404 -3.254 -0.899 -0.286 1.00 0.00 C ATOM 336 C CYS A 404 -2.503 -2.158 -0.702 1.00 0.00 C ATOM 337 O CYS A 404 -2.873 -3.265 -0.308 1.00 0.00 O ATOM 338 CB CYS A 404 -2.775 -0.441 1.092 1.00 0.00 C ATOM 339 SG CYS A 404 -3.695 0.974 1.783 1.00 0.00 S ATOM 0 H CYS A 404 -4.975 -1.866 0.405 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.054 -0.106 -1.007 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -2.849 -1.279 1.785 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -1.720 -0.174 1.026 1.00 0.00 H new ATOM 344 N SER A 405 -1.477 -1.992 -1.519 1.00 0.00 N ATOM 345 CA SER A 405 -0.685 -3.117 -1.992 1.00 0.00 C ATOM 346 C SER A 405 0.792 -2.869 -1.712 1.00 0.00 C ATOM 347 O SER A 405 1.265 -1.734 -1.813 1.00 0.00 O ATOM 348 CB SER A 405 -0.910 -3.331 -3.492 1.00 0.00 C ATOM 349 OG SER A 405 -0.161 -4.430 -3.978 1.00 0.00 O ATOM 0 H SER A 405 -1.171 -1.085 -1.871 1.00 0.00 H new ATOM 0 HA SER A 405 -0.999 -4.016 -1.461 1.00 0.00 H new ATOM 0 HB2 SER A 405 -1.970 -3.500 -3.681 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.629 -2.429 -4.035 1.00 0.00 H new ATOM 0 HG SER A 405 -0.328 -4.541 -4.937 1.00 0.00 H new ATOM 355 N TRP A 406 1.502 -3.908 -1.293 1.00 0.00 N ATOM 356 CA TRP A 406 2.907 -3.763 -0.960 1.00 0.00 C ATOM 357 C TRP A 406 3.782 -3.826 -2.214 1.00 0.00 C ATOM 358 O TRP A 406 3.699 -4.762 -3.012 1.00 0.00 O ATOM 359 CB TRP A 406 3.347 -4.826 0.052 1.00 0.00 C ATOM 360 CG TRP A 406 4.704 -4.551 0.615 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.849 -5.232 0.350 1.00 0.00 C ATOM 362 CD2 TRP A 406 5.058 -3.524 1.550 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.900 -4.677 1.026 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.438 -3.629 1.778 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.341 -2.523 2.204 1.00 0.00 C ATOM 366 CZ2 TRP A 406 7.120 -2.771 2.636 1.00 0.00 C ATOM 367 CZ3 TRP A 406 5.017 -1.673 3.058 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.392 -1.801 3.262 1.00 0.00 C ATOM 0 H TRP A 406 1.130 -4.851 -1.177 1.00 0.00 H new ATOM 0 HA TRP A 406 3.035 -2.782 -0.503 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.622 -4.872 0.865 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.348 -5.804 -0.430 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.919 -6.090 -0.302 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.869 -4.992 0.978 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.278 -2.414 2.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 8.183 -2.869 2.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.473 -0.897 3.576 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.892 -1.116 3.931 1.00 0.00 H new ATOM 379 N HIS A 407 4.592 -2.797 -2.377 1.00 0.00 N ATOM 380 CA HIS A 407 5.501 -2.648 -3.506 1.00 0.00 C ATOM 381 C HIS A 407 6.911 -3.025 -3.055 1.00 0.00 C ATOM 382 O HIS A 407 7.646 -2.179 -2.550 1.00 0.00 O ATOM 383 CB HIS A 407 5.453 -1.185 -3.974 1.00 0.00 C ATOM 384 CG HIS A 407 6.135 -0.877 -5.272 1.00 0.00 C ATOM 385 ND1 HIS A 407 7.415 -1.281 -5.579 1.00 0.00 N ATOM 386 CD2 HIS A 407 5.720 -0.126 -6.319 1.00 0.00 C ATOM 387 CE1 HIS A 407 7.757 -0.789 -6.754 1.00 0.00 C ATOM 388 NE2 HIS A 407 6.748 -0.090 -7.223 1.00 0.00 N ATOM 0 H HIS A 407 4.640 -2.022 -1.715 1.00 0.00 H new ATOM 0 HA HIS A 407 5.212 -3.298 -4.332 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.408 -0.888 -4.059 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.899 -0.563 -3.198 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.758 0.355 -6.422 1.00 0.00 H new ATOM 0 HE1 HIS A 407 8.706 -0.936 -7.247 1.00 0.00 H new ATOM 0 HE2 HIS A 407 6.733 0.401 -8.117 1.00 0.00 H new ATOM 397 N LYS A 408 7.213 -4.320 -3.089 1.00 0.00 N ATOM 398 CA LYS A 408 8.465 -4.837 -2.532 1.00 0.00 C ATOM 399 C LYS A 408 9.687 -4.248 -3.233 1.00 0.00 C ATOM 400 O LYS A 408 10.516 -3.590 -2.605 1.00 0.00 O ATOM 401 CB LYS A 408 8.507 -6.365 -2.637 1.00 0.00 C ATOM 402 CG LYS A 408 7.341 -7.056 -1.950 1.00 0.00 C ATOM 403 CD LYS A 408 7.459 -8.570 -2.009 1.00 0.00 C ATOM 404 CE LYS A 408 7.534 -9.083 -3.439 1.00 0.00 C ATOM 405 NZ LYS A 408 6.335 -8.710 -4.239 1.00 0.00 N ATOM 0 H LYS A 408 6.609 -5.034 -3.496 1.00 0.00 H new ATOM 0 HA LYS A 408 8.496 -4.539 -1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 408 8.517 -6.648 -3.690 1.00 0.00 H new ATOM 0 HB3 LYS A 408 9.439 -6.725 -2.201 1.00 0.00 H new ATOM 0 HG2 LYS A 408 7.293 -6.737 -0.909 1.00 0.00 H new ATOM 0 HG3 LYS A 408 6.408 -6.747 -2.421 1.00 0.00 H new ATOM 0 HD2 LYS A 408 8.349 -8.885 -1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 408 6.602 -9.020 -1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 408 8.427 -8.683 -3.919 1.00 0.00 H new ATOM 0 HE3 LYS A 408 7.637 -10.168 -3.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 6.368 -9.193 -5.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 5.475 -8.995 -3.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 6.324 -7.681 -4.388 1.00 0.00 H new ATOM 419 N GLU A 409 9.816 -4.523 -4.522 1.00 0.00 N ATOM 420 CA GLU A 409 10.962 -4.064 -5.295 1.00 0.00 C ATOM 421 C GLU A 409 10.773 -2.616 -5.734 1.00 0.00 C ATOM 422 O GLU A 409 10.289 -2.346 -6.832 1.00 0.00 O ATOM 423 CB GLU A 409 11.167 -4.971 -6.509 1.00 0.00 C ATOM 424 CG GLU A 409 12.372 -4.605 -7.358 1.00 0.00 C ATOM 425 CD GLU A 409 12.578 -5.568 -8.505 1.00 0.00 C ATOM 426 OE1 GLU A 409 12.879 -6.751 -8.244 1.00 0.00 O ATOM 427 OE2 GLU A 409 12.430 -5.150 -9.671 1.00 0.00 O ATOM 0 H GLU A 409 9.138 -5.065 -5.058 1.00 0.00 H new ATOM 0 HA GLU A 409 11.850 -4.111 -4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.276 -6.000 -6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 409 10.273 -4.935 -7.131 1.00 0.00 H new ATOM 0 HG2 GLU A 409 12.244 -3.597 -7.751 1.00 0.00 H new ATOM 0 HG3 GLU A 409 13.264 -4.592 -6.732 1.00 0.00 H new ATOM 434 N VAL A 410 11.108 -1.687 -4.854 1.00 0.00 N ATOM 435 CA VAL A 410 10.974 -0.268 -5.153 1.00 0.00 C ATOM 436 C VAL A 410 12.016 0.186 -6.175 1.00 0.00 C ATOM 437 O VAL A 410 13.184 -0.196 -6.099 1.00 0.00 O ATOM 438 CB VAL A 410 11.083 0.594 -3.880 1.00 0.00 C ATOM 439 CG1 VAL A 410 9.816 0.471 -3.049 1.00 0.00 C ATOM 440 CG2 VAL A 410 12.300 0.196 -3.057 1.00 0.00 C ATOM 0 H VAL A 410 11.476 -1.889 -3.924 1.00 0.00 H new ATOM 0 HA VAL A 410 9.981 -0.129 -5.580 1.00 0.00 H new ATOM 0 HB VAL A 410 11.204 1.634 -4.182 1.00 0.00 H new ATOM 0 HG11 VAL A 410 9.907 1.085 -2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.962 0.810 -3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 410 9.669 -0.570 -2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 410 12.355 0.819 -2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 410 12.215 -0.851 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 410 13.203 0.335 -3.652 1.00 0.00 H new ATOM 450 N LYS A 411 11.570 0.960 -7.156 1.00 0.00 N ATOM 451 CA LYS A 411 12.450 1.455 -8.206 1.00 0.00 C ATOM 452 C LYS A 411 12.828 2.906 -7.935 1.00 0.00 C ATOM 453 O LYS A 411 11.949 3.770 -7.874 1.00 0.00 O ATOM 454 CB LYS A 411 11.752 1.342 -9.566 1.00 0.00 C ATOM 455 CG LYS A 411 12.614 1.751 -10.750 1.00 0.00 C ATOM 456 CD LYS A 411 13.740 0.764 -10.992 1.00 0.00 C ATOM 457 CE LYS A 411 14.435 1.022 -12.320 1.00 0.00 C ATOM 458 NZ LYS A 411 15.107 2.348 -12.361 1.00 0.00 N ATOM 0 H LYS A 411 10.599 1.260 -7.246 1.00 0.00 H new ATOM 0 HA LYS A 411 13.358 0.852 -8.219 1.00 0.00 H new ATOM 0 HB2 LYS A 411 11.425 0.312 -9.709 1.00 0.00 H new ATOM 0 HB3 LYS A 411 10.856 1.962 -9.553 1.00 0.00 H new ATOM 0 HG2 LYS A 411 11.994 1.822 -11.644 1.00 0.00 H new ATOM 0 HG3 LYS A 411 13.031 2.742 -10.571 1.00 0.00 H new ATOM 0 HD2 LYS A 411 14.466 0.833 -10.182 1.00 0.00 H new ATOM 0 HD3 LYS A 411 13.344 -0.251 -10.979 1.00 0.00 H new ATOM 0 HE2 LYS A 411 15.172 0.239 -12.499 1.00 0.00 H new ATOM 0 HE3 LYS A 411 13.704 0.963 -13.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 15.580 2.469 -13.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 14.400 3.100 -12.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 15.812 2.404 -11.599 1.00 0.00 H new ATOM 472 N ALA A 412 14.137 3.168 -7.879 1.00 0.00 N ATOM 473 CA ALA A 412 14.694 4.514 -7.710 1.00 0.00 C ATOM 474 C ALA A 412 14.275 5.190 -6.398 1.00 0.00 C ATOM 475 O ALA A 412 15.116 5.463 -5.541 1.00 0.00 O ATOM 476 CB ALA A 412 14.325 5.367 -8.905 1.00 0.00 C ATOM 0 H ALA A 412 14.850 2.442 -7.951 1.00 0.00 H new ATOM 0 HA ALA A 412 15.777 4.410 -7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 412 14.739 6.368 -8.780 1.00 0.00 H new ATOM 0 HB2 ALA A 412 14.730 4.918 -9.812 1.00 0.00 H new ATOM 0 HB3 ALA A 412 13.240 5.431 -8.985 1.00 0.00 H new ATOM 482 N GLY A 413 12.988 5.445 -6.237 1.00 0.00 N ATOM 483 CA GLY A 413 12.493 6.082 -5.036 1.00 0.00 C ATOM 484 C GLY A 413 10.990 5.950 -4.918 1.00 0.00 C ATOM 485 O GLY A 413 10.284 6.935 -4.714 1.00 0.00 O ATOM 0 H GLY A 413 12.269 5.219 -6.925 1.00 0.00 H new ATOM 0 HA2 GLY A 413 12.968 5.635 -4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 413 12.767 7.137 -5.043 1.00 0.00 H new ATOM 489 N GLU A 414 10.498 4.735 -5.115 1.00 0.00 N ATOM 490 CA GLU A 414 9.064 4.470 -5.071 1.00 0.00 C ATOM 491 C GLU A 414 8.560 4.330 -3.643 1.00 0.00 C ATOM 492 O GLU A 414 9.339 4.341 -2.687 1.00 0.00 O ATOM 493 CB GLU A 414 8.724 3.205 -5.860 1.00 0.00 C ATOM 494 CG GLU A 414 8.812 3.393 -7.362 1.00 0.00 C ATOM 495 CD GLU A 414 7.821 4.419 -7.874 1.00 0.00 C ATOM 496 OE1 GLU A 414 6.900 4.797 -7.120 1.00 0.00 O ATOM 497 OE2 GLU A 414 7.954 4.840 -9.041 1.00 0.00 O ATOM 0 H GLU A 414 11.072 3.914 -5.308 1.00 0.00 H new ATOM 0 HA GLU A 414 8.566 5.326 -5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 414 9.402 2.405 -5.561 1.00 0.00 H new ATOM 0 HB3 GLU A 414 7.716 2.883 -5.600 1.00 0.00 H new ATOM 0 HG2 GLU A 414 9.822 3.703 -7.628 1.00 0.00 H new ATOM 0 HG3 GLU A 414 8.631 2.439 -7.856 1.00 0.00 H new ATOM 504 N LYS A 415 7.267 4.087 -3.520 1.00 0.00 N ATOM 505 CA LYS A 415 6.655 3.841 -2.230 1.00 0.00 C ATOM 506 C LYS A 415 6.303 2.377 -2.090 1.00 0.00 C ATOM 507 O LYS A 415 5.835 1.754 -3.043 1.00 0.00 O ATOM 508 CB LYS A 415 5.409 4.707 -2.052 1.00 0.00 C ATOM 509 CG LYS A 415 5.705 6.080 -1.478 1.00 0.00 C ATOM 510 CD LYS A 415 6.260 5.962 -0.070 1.00 0.00 C ATOM 511 CE LYS A 415 6.587 7.318 0.530 1.00 0.00 C ATOM 512 NZ LYS A 415 7.142 7.189 1.904 1.00 0.00 N ATOM 0 H LYS A 415 6.618 4.055 -4.306 1.00 0.00 H new ATOM 0 HA LYS A 415 7.370 4.106 -1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 415 4.916 4.824 -3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 415 4.708 4.191 -1.396 1.00 0.00 H new ATOM 0 HG2 LYS A 415 6.421 6.600 -2.115 1.00 0.00 H new ATOM 0 HG3 LYS A 415 4.795 6.679 -1.467 1.00 0.00 H new ATOM 0 HD2 LYS A 415 5.535 5.451 0.563 1.00 0.00 H new ATOM 0 HD3 LYS A 415 7.159 5.346 -0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 415 7.306 7.834 -0.106 1.00 0.00 H new ATOM 0 HE3 LYS A 415 5.686 7.931 0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 7.354 8.134 2.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 6.446 6.718 2.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 8.015 6.624 1.874 1.00 0.00 H new ATOM 526 N ASN A 416 6.613 1.813 -0.933 1.00 0.00 N ATOM 527 CA ASN A 416 6.369 0.403 -0.699 1.00 0.00 C ATOM 528 C ASN A 416 4.879 0.149 -0.533 1.00 0.00 C ATOM 529 O ASN A 416 4.250 -0.436 -1.401 1.00 0.00 O ATOM 530 CB ASN A 416 7.127 -0.099 0.529 1.00 0.00 C ATOM 531 CG ASN A 416 8.632 -0.107 0.339 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.267 0.943 0.222 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.215 -1.295 0.300 1.00 0.00 N ATOM 0 H ASN A 416 7.032 2.309 -0.146 1.00 0.00 H new ATOM 0 HA ASN A 416 6.733 -0.147 -1.566 1.00 0.00 H new ATOM 0 HB2 ASN A 416 6.878 0.530 1.384 1.00 0.00 H new ATOM 0 HB3 ASN A 416 6.792 -1.108 0.768 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.224 -1.364 0.169 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.655 -2.142 0.401 1.00 0.00 H new ATOM 540 N CYS A 417 4.274 0.708 0.492 1.00 0.00 N ATOM 541 CA CYS A 417 2.832 0.614 0.603 1.00 0.00 C ATOM 542 C CYS A 417 2.194 1.688 -0.260 1.00 0.00 C ATOM 543 O CYS A 417 2.557 2.864 -0.169 1.00 0.00 O ATOM 544 CB CYS A 417 2.366 0.746 2.045 1.00 0.00 C ATOM 545 SG CYS A 417 0.637 0.227 2.282 1.00 0.00 S ATOM 0 H CYS A 417 4.740 1.219 1.242 1.00 0.00 H new ATOM 0 HA CYS A 417 2.524 -0.372 0.255 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.011 0.146 2.686 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.476 1.783 2.363 1.00 0.00 H new ATOM 550 N GLN A 418 1.351 1.269 -1.194 1.00 0.00 N ATOM 551 CA GLN A 418 0.805 2.193 -2.173 1.00 0.00 C ATOM 552 C GLN A 418 -0.570 1.760 -2.668 1.00 0.00 C ATOM 553 O GLN A 418 -0.970 0.603 -2.522 1.00 0.00 O ATOM 554 CB GLN A 418 1.786 2.371 -3.343 1.00 0.00 C ATOM 555 CG GLN A 418 2.460 1.084 -3.805 1.00 0.00 C ATOM 556 CD GLN A 418 1.625 0.289 -4.788 1.00 0.00 C ATOM 557 OE1 GLN A 418 1.274 0.781 -5.859 1.00 0.00 O ATOM 558 NE2 GLN A 418 1.312 -0.947 -4.440 1.00 0.00 N ATOM 0 H GLN A 418 1.034 0.305 -1.293 1.00 0.00 H new ATOM 0 HA GLN A 418 0.671 3.156 -1.680 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.251 2.809 -4.186 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.556 3.084 -3.049 1.00 0.00 H new ATOM 0 HG2 GLN A 418 3.417 1.329 -4.266 1.00 0.00 H new ATOM 0 HG3 GLN A 418 2.675 0.462 -2.936 1.00 0.00 H new ATOM 0 HE21 GLN A 418 1.623 -1.318 -3.542 1.00 0.00 H new ATOM 0 HE22 GLN A 418 0.760 -1.530 -5.069 1.00 0.00 H new ATOM 567 N PHE A 419 -1.311 2.745 -3.157 1.00 0.00 N ATOM 568 CA PHE A 419 -2.678 2.565 -3.632 1.00 0.00 C ATOM 569 C PHE A 419 -2.725 1.563 -4.779 1.00 0.00 C ATOM 570 O PHE A 419 -2.082 1.769 -5.809 1.00 0.00 O ATOM 571 CB PHE A 419 -3.195 3.926 -4.111 1.00 0.00 C ATOM 572 CG PHE A 419 -4.672 3.998 -4.365 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.577 3.715 -3.359 1.00 0.00 C ATOM 574 CD2 PHE A 419 -5.156 4.375 -5.608 1.00 0.00 C ATOM 575 CE1 PHE A 419 -6.933 3.808 -3.584 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.514 4.467 -5.838 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.404 4.182 -4.826 1.00 0.00 C ATOM 0 H PHE A 419 -0.976 3.705 -3.236 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.300 2.179 -2.824 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -2.934 4.678 -3.366 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.672 4.192 -5.029 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.217 3.418 -2.385 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.463 4.599 -6.405 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.628 3.588 -2.787 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -6.878 4.762 -6.811 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.467 4.251 -5.004 1.00 0.00 H new ATOM 587 N ASN A 420 -3.531 0.515 -4.637 1.00 0.00 N ATOM 588 CA ASN A 420 -3.686 -0.463 -5.710 1.00 0.00 C ATOM 589 C ASN A 420 -4.874 -0.111 -6.604 1.00 0.00 C ATOM 590 O ASN A 420 -5.445 -0.974 -7.271 1.00 0.00 O ATOM 591 CB ASN A 420 -3.835 -1.888 -5.158 1.00 0.00 C ATOM 592 CG ASN A 420 -4.983 -2.064 -4.174 1.00 0.00 C ATOM 593 OD1 ASN A 420 -6.084 -1.550 -4.369 1.00 0.00 O ATOM 594 ND2 ASN A 420 -4.747 -2.843 -3.130 1.00 0.00 N ATOM 0 H ASN A 420 -4.081 0.322 -3.800 1.00 0.00 H new ATOM 0 HA ASN A 420 -2.778 -0.430 -6.312 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -3.979 -2.575 -5.992 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -2.905 -2.174 -4.667 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -5.490 -3.033 -2.457 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -3.822 -3.253 -2.998 1.00 0.00 H new ATOM 601 N SER A 421 -5.197 1.175 -6.646 1.00 0.00 N ATOM 602 CA SER A 421 -6.292 1.702 -7.459 1.00 0.00 C ATOM 603 C SER A 421 -7.595 0.927 -7.222 1.00 0.00 C ATOM 604 O SER A 421 -8.017 0.759 -6.078 1.00 0.00 O ATOM 605 CB SER A 421 -5.899 1.757 -8.945 1.00 0.00 C ATOM 606 OG SER A 421 -5.559 0.481 -9.464 1.00 0.00 O ATOM 0 H SER A 421 -4.703 1.891 -6.113 1.00 0.00 H new ATOM 0 HA SER A 421 -6.484 2.727 -7.143 1.00 0.00 H new ATOM 0 HB2 SER A 421 -6.726 2.172 -9.521 1.00 0.00 H new ATOM 0 HB3 SER A 421 -5.053 2.433 -9.069 1.00 0.00 H new ATOM 0 HG SER A 421 -5.863 -0.215 -8.845 1.00 0.00 H new ATOM 612 N THR A 422 -8.264 0.500 -8.288 1.00 0.00 N ATOM 613 CA THR A 422 -9.549 -0.170 -8.157 1.00 0.00 C ATOM 614 C THR A 422 -9.386 -1.685 -7.986 1.00 0.00 C ATOM 615 O THR A 422 -10.241 -2.469 -8.405 1.00 0.00 O ATOM 616 CB THR A 422 -10.431 0.122 -9.386 1.00 0.00 C ATOM 617 OG1 THR A 422 -10.157 1.446 -9.868 1.00 0.00 O ATOM 618 CG2 THR A 422 -11.909 0.010 -9.039 1.00 0.00 C ATOM 0 H THR A 422 -7.937 0.606 -9.248 1.00 0.00 H new ATOM 0 HA THR A 422 -10.031 0.220 -7.260 1.00 0.00 H new ATOM 0 HB THR A 422 -10.199 -0.614 -10.156 1.00 0.00 H new ATOM 0 HG1 THR A 422 -10.717 1.631 -10.651 1.00 0.00 H new ATOM 0 HG21 THR A 422 -12.508 0.221 -9.925 1.00 0.00 H new ATOM 0 HG22 THR A 422 -12.125 -0.999 -8.687 1.00 0.00 H new ATOM 0 HG23 THR A 422 -12.154 0.727 -8.256 1.00 0.00 H new ATOM 626 N LYS A 423 -8.305 -2.095 -7.336 1.00 0.00 N ATOM 627 CA LYS A 423 -8.073 -3.508 -7.067 1.00 0.00 C ATOM 628 C LYS A 423 -8.962 -3.982 -5.924 1.00 0.00 C ATOM 629 O LYS A 423 -9.469 -5.103 -5.939 1.00 0.00 O ATOM 630 CB LYS A 423 -6.608 -3.764 -6.733 1.00 0.00 C ATOM 631 CG LYS A 423 -6.295 -5.231 -6.508 1.00 0.00 C ATOM 632 CD LYS A 423 -4.829 -5.455 -6.200 1.00 0.00 C ATOM 633 CE LYS A 423 -4.547 -6.925 -5.976 1.00 0.00 C ATOM 634 NZ LYS A 423 -5.180 -7.430 -4.730 1.00 0.00 N ATOM 0 H LYS A 423 -7.577 -1.472 -6.986 1.00 0.00 H new ATOM 0 HA LYS A 423 -8.323 -4.071 -7.966 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -5.986 -3.386 -7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -6.342 -3.201 -5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -6.901 -5.609 -5.685 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -6.571 -5.801 -7.395 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -4.219 -5.084 -7.023 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -4.548 -4.887 -5.313 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -4.914 -7.498 -6.827 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -3.470 -7.084 -5.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -4.815 -8.380 -4.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -4.958 -6.787 -3.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -6.211 -7.477 -4.859 1.00 0.00 H new ATOM 648 N ALA A 424 -9.146 -3.118 -4.932 1.00 0.00 N ATOM 649 CA ALA A 424 -9.956 -3.442 -3.762 1.00 0.00 C ATOM 650 C ALA A 424 -11.451 -3.345 -4.057 1.00 0.00 C ATOM 651 O ALA A 424 -12.216 -2.778 -3.269 1.00 0.00 O ATOM 652 CB ALA A 424 -9.591 -2.527 -2.605 1.00 0.00 C ATOM 0 H ALA A 424 -8.742 -2.181 -4.915 1.00 0.00 H new ATOM 0 HA ALA A 424 -9.742 -4.476 -3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -10.201 -2.777 -1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -8.537 -2.656 -2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -9.772 -1.491 -2.890 1.00 0.00 H new