USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 346 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 421 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 422 THR OG1 : rot 29:sc= 0.398 USER MOD Set 2.1: A 405 SER OG : rot 180:sc= 0.864 USER MOD Set 2.2: A 420 ASN : amide:sc= -1.01! C(o=-0.15!,f=-6.4!) USER MOD Single : A 383 LYS NZ :NH3+ -163:sc= -0.081 (180deg=-0.413) USER MOD Single : A 384 SER OG : rot 180:sc= 0.0998 USER MOD Single : A 390 ASN : amide:sc= -2.28! K(o=-2.3!,f=-1.4) USER MOD Single : A 391 LYS NZ :NH3+ -132:sc= 1.28 (180deg=-2!) USER MOD Single : A 393 THR OG1 : rot -42:sc= 0.996 USER MOD Single : A 397 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.18) USER MOD Single : A 399 SER OG : rot 77:sc= 1.31 USER MOD Single : A 402 LYS NZ :NH3+ -123:sc= 0.228 (180deg=-0.202) USER MOD Single : A 407 HIS : no HE2:sc= 0.0535 K(o=0.054,f=-3.2!) USER MOD Single : A 408 LYS NZ :NH3+ -150:sc= 0.317 (180deg=-0.784) USER MOD Single : A 411 LYS NZ :NH3+ -170:sc= -0.0242 (180deg=-0.17) USER MOD Single : A 415 LYS NZ :NH3+ 167:sc= 0.4 (180deg=0.326) USER MOD Single : A 416 ASN : amide:sc= -0.517 K(o=-0.52,f=-3.1!) USER MOD Single : A 418 GLN : amide:sc= -0.05 X(o=-0.05,f=-0.35) USER MOD Single : A 423 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0498) USER MOD Single : A 425 SER OG : rot -105:sc= 0.852 USER MOD Single : A 426 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 382 -7.866 9.277 4.671 1.00 0.00 N ATOM 2 CA GLY A 382 -6.691 10.174 4.764 1.00 0.00 C ATOM 3 C GLY A 382 -6.394 10.864 3.450 1.00 0.00 C ATOM 4 O GLY A 382 -5.278 10.767 2.935 1.00 0.00 O ATOM 0 HA2 GLY A 382 -6.869 10.924 5.535 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -5.820 9.598 5.075 1.00 0.00 H new ATOM 10 N LYS A 383 -7.403 11.535 2.892 1.00 0.00 N ATOM 11 CA LYS A 383 -7.276 12.219 1.605 1.00 0.00 C ATOM 12 C LYS A 383 -6.943 11.220 0.503 1.00 0.00 C ATOM 13 O LYS A 383 -7.702 10.278 0.275 1.00 0.00 O ATOM 14 CB LYS A 383 -6.221 13.333 1.670 1.00 0.00 C ATOM 15 CG LYS A 383 -6.606 14.477 2.590 1.00 0.00 C ATOM 16 CD LYS A 383 -5.559 15.576 2.589 1.00 0.00 C ATOM 17 CE LYS A 383 -6.009 16.770 3.418 1.00 0.00 C ATOM 18 NZ LYS A 383 -7.254 17.386 2.884 1.00 0.00 N ATOM 0 H LYS A 383 -8.326 11.619 3.317 1.00 0.00 H new ATOM 0 HA LYS A 383 -8.234 12.684 1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -5.276 12.908 2.007 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -6.055 13.724 0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -7.566 14.888 2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -6.737 14.100 3.604 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -4.621 15.188 2.986 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -5.364 15.894 1.565 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -6.175 16.454 4.448 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -5.215 17.517 3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -7.368 18.340 3.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -7.194 17.448 1.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -8.072 16.801 3.148 1.00 0.00 H new ATOM 32 N SER A 384 -5.811 11.409 -0.159 1.00 0.00 N ATOM 33 CA SER A 384 -5.369 10.488 -1.192 1.00 0.00 C ATOM 34 C SER A 384 -5.183 9.092 -0.607 1.00 0.00 C ATOM 35 O SER A 384 -4.450 8.909 0.363 1.00 0.00 O ATOM 36 CB SER A 384 -4.059 10.979 -1.813 1.00 0.00 C ATOM 37 OG SER A 384 -3.454 9.970 -2.607 1.00 0.00 O ATOM 0 H SER A 384 -5.181 12.195 0.003 1.00 0.00 H new ATOM 0 HA SER A 384 -6.130 10.444 -1.971 1.00 0.00 H new ATOM 0 HB2 SER A 384 -4.252 11.860 -2.426 1.00 0.00 H new ATOM 0 HB3 SER A 384 -3.372 11.284 -1.024 1.00 0.00 H new ATOM 0 HG SER A 384 -2.620 10.313 -2.992 1.00 0.00 H new ATOM 43 N PRO A 385 -5.876 8.096 -1.173 1.00 0.00 N ATOM 44 CA PRO A 385 -5.807 6.715 -0.698 1.00 0.00 C ATOM 45 C PRO A 385 -4.394 6.139 -0.809 1.00 0.00 C ATOM 46 O PRO A 385 -3.963 5.358 0.041 1.00 0.00 O ATOM 47 CB PRO A 385 -6.782 5.962 -1.609 1.00 0.00 C ATOM 48 CG PRO A 385 -6.970 6.838 -2.798 1.00 0.00 C ATOM 49 CD PRO A 385 -6.801 8.245 -2.307 1.00 0.00 C ATOM 0 HA PRO A 385 -6.063 6.633 0.358 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.380 4.990 -1.897 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.730 5.778 -1.103 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -6.240 6.605 -3.573 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -7.958 6.694 -3.236 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -6.390 8.894 -3.080 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -7.751 8.680 -1.997 1.00 0.00 H new ATOM 57 N GLU A 386 -3.647 6.587 -1.813 1.00 0.00 N ATOM 58 CA GLU A 386 -2.260 6.176 -1.950 1.00 0.00 C ATOM 59 C GLU A 386 -1.427 6.820 -0.851 1.00 0.00 C ATOM 60 O GLU A 386 -0.673 6.142 -0.152 1.00 0.00 O ATOM 61 CB GLU A 386 -1.700 6.561 -3.321 1.00 0.00 C ATOM 62 CG GLU A 386 -0.415 5.825 -3.670 1.00 0.00 C ATOM 63 CD GLU A 386 0.205 6.301 -4.965 1.00 0.00 C ATOM 64 OE1 GLU A 386 0.743 7.425 -4.993 1.00 0.00 O ATOM 65 OE2 GLU A 386 0.151 5.554 -5.966 1.00 0.00 O ATOM 0 H GLU A 386 -3.977 7.228 -2.535 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.213 5.091 -1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.450 6.353 -4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -1.514 7.635 -3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 386 0.303 5.955 -2.860 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.623 4.757 -3.744 1.00 0.00 H new ATOM 72 N ALA A 387 -1.620 8.126 -0.672 1.00 0.00 N ATOM 73 CA ALA A 387 -0.910 8.880 0.355 1.00 0.00 C ATOM 74 C ALA A 387 -1.211 8.350 1.752 1.00 0.00 C ATOM 75 O ALA A 387 -0.317 8.280 2.596 1.00 0.00 O ATOM 76 CB ALA A 387 -1.261 10.357 0.266 1.00 0.00 C ATOM 0 H ALA A 387 -2.266 8.685 -1.229 1.00 0.00 H new ATOM 0 HA ALA A 387 0.158 8.756 0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -0.723 10.906 1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -0.978 10.740 -0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -2.334 10.485 0.410 1.00 0.00 H new ATOM 82 N GLU A 388 -2.474 8.023 2.013 1.00 0.00 N ATOM 83 CA GLU A 388 -2.866 7.547 3.332 1.00 0.00 C ATOM 84 C GLU A 388 -2.200 6.209 3.636 1.00 0.00 C ATOM 85 O GLU A 388 -1.688 6.005 4.731 1.00 0.00 O ATOM 86 CB GLU A 388 -4.392 7.437 3.469 1.00 0.00 C ATOM 87 CG GLU A 388 -5.013 6.238 2.775 1.00 0.00 C ATOM 88 CD GLU A 388 -6.482 6.068 3.099 1.00 0.00 C ATOM 89 OE1 GLU A 388 -7.016 6.859 3.907 1.00 0.00 O ATOM 90 OE2 GLU A 388 -7.106 5.131 2.564 1.00 0.00 O ATOM 0 H GLU A 388 -3.234 8.079 1.335 1.00 0.00 H new ATOM 0 HA GLU A 388 -2.526 8.282 4.062 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.645 7.396 4.529 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -4.844 8.344 3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.894 6.346 1.697 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -4.475 5.336 3.067 1.00 0.00 H new ATOM 97 N CYS A 389 -2.202 5.302 2.664 1.00 0.00 N ATOM 98 CA CYS A 389 -1.603 3.988 2.853 1.00 0.00 C ATOM 99 C CYS A 389 -0.085 4.087 2.985 1.00 0.00 C ATOM 100 O CYS A 389 0.532 3.265 3.658 1.00 0.00 O ATOM 101 CB CYS A 389 -1.973 3.059 1.703 1.00 0.00 C ATOM 102 SG CYS A 389 -1.629 1.315 2.052 1.00 0.00 S ATOM 0 H CYS A 389 -2.610 5.453 1.742 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.998 3.573 3.780 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -3.033 3.175 1.478 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -1.423 3.359 0.811 1.00 0.00 H new ATOM 107 N ASN A 390 0.500 5.119 2.370 1.00 0.00 N ATOM 108 CA ASN A 390 1.952 5.350 2.407 1.00 0.00 C ATOM 109 C ASN A 390 2.542 5.193 3.813 1.00 0.00 C ATOM 110 O ASN A 390 3.721 4.865 3.955 1.00 0.00 O ATOM 111 CB ASN A 390 2.292 6.753 1.889 1.00 0.00 C ATOM 112 CG ASN A 390 2.345 6.864 0.369 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.474 7.963 -0.169 1.00 0.00 O ATOM 114 ND2 ASN A 390 2.282 5.743 -0.336 1.00 0.00 N ATOM 0 H ASN A 390 -0.015 5.817 1.834 1.00 0.00 H new ATOM 0 HA ASN A 390 2.394 4.589 1.763 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.551 7.457 2.268 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.256 7.055 2.298 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.341 5.777 -1.354 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.175 4.847 0.139 1.00 0.00 H new ATOM 121 N LYS A 391 1.740 5.485 4.840 1.00 0.00 N ATOM 122 CA LYS A 391 2.205 5.444 6.227 1.00 0.00 C ATOM 123 C LYS A 391 2.785 4.079 6.611 1.00 0.00 C ATOM 124 O LYS A 391 3.742 4.014 7.386 1.00 0.00 O ATOM 125 CB LYS A 391 1.078 5.842 7.190 1.00 0.00 C ATOM 126 CG LYS A 391 -0.166 4.968 7.109 1.00 0.00 C ATOM 127 CD LYS A 391 -1.322 5.584 7.888 1.00 0.00 C ATOM 128 CE LYS A 391 -2.626 4.830 7.666 1.00 0.00 C ATOM 129 NZ LYS A 391 -2.640 3.505 8.341 1.00 0.00 N ATOM 0 H LYS A 391 0.762 5.753 4.735 1.00 0.00 H new ATOM 0 HA LYS A 391 3.014 6.169 6.311 1.00 0.00 H new ATOM 0 HB2 LYS A 391 1.462 5.811 8.210 1.00 0.00 H new ATOM 0 HB3 LYS A 391 0.794 6.875 6.988 1.00 0.00 H new ATOM 0 HG2 LYS A 391 -0.455 4.837 6.066 1.00 0.00 H new ATOM 0 HG3 LYS A 391 0.056 3.977 7.505 1.00 0.00 H new ATOM 0 HD2 LYS A 391 -1.082 5.587 8.951 1.00 0.00 H new ATOM 0 HD3 LYS A 391 -1.449 6.624 7.587 1.00 0.00 H new ATOM 0 HE2 LYS A 391 -3.457 5.431 8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 391 -2.784 4.691 6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -2.969 2.779 7.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 -1.680 3.269 8.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -3.281 3.539 9.159 1.00 0.00 H new ATOM 143 N ILE A 392 2.207 2.993 6.093 1.00 0.00 N ATOM 144 CA ILE A 392 2.688 1.660 6.416 1.00 0.00 C ATOM 145 C ILE A 392 4.099 1.430 5.867 1.00 0.00 C ATOM 146 O ILE A 392 4.417 1.853 4.756 1.00 0.00 O ATOM 147 CB ILE A 392 1.765 0.573 5.851 1.00 0.00 C ATOM 148 CG1 ILE A 392 0.302 0.857 6.175 1.00 0.00 C ATOM 149 CG2 ILE A 392 2.171 -0.781 6.399 1.00 0.00 C ATOM 150 CD1 ILE A 392 0.041 1.207 7.626 1.00 0.00 C ATOM 0 H ILE A 392 1.412 3.016 5.454 1.00 0.00 H new ATOM 0 HA ILE A 392 2.701 1.593 7.504 1.00 0.00 H new ATOM 0 HB ILE A 392 1.868 0.571 4.766 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.044 1.678 5.547 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -0.293 -0.018 5.912 1.00 0.00 H new ATOM 0 HG21 ILE A 392 1.512 -1.550 5.995 1.00 0.00 H new ATOM 0 HG22 ILE A 392 3.200 -0.997 6.111 1.00 0.00 H new ATOM 0 HG23 ILE A 392 2.093 -0.772 7.486 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -1.023 1.394 7.769 1.00 0.00 H new ATOM 0 HD12 ILE A 392 0.353 0.379 8.262 1.00 0.00 H new ATOM 0 HD13 ILE A 392 0.605 2.101 7.892 1.00 0.00 H new ATOM 162 N THR A 393 4.918 0.706 6.619 1.00 0.00 N ATOM 163 CA THR A 393 6.256 0.359 6.172 1.00 0.00 C ATOM 164 C THR A 393 6.494 -1.147 6.335 1.00 0.00 C ATOM 165 O THR A 393 7.626 -1.605 6.502 1.00 0.00 O ATOM 166 CB THR A 393 7.332 1.161 6.947 1.00 0.00 C ATOM 167 OG1 THR A 393 8.643 0.839 6.459 1.00 0.00 O ATOM 168 CG2 THR A 393 7.262 0.878 8.443 1.00 0.00 C ATOM 0 H THR A 393 4.676 0.348 7.543 1.00 0.00 H new ATOM 0 HA THR A 393 6.339 0.620 5.117 1.00 0.00 H new ATOM 0 HB THR A 393 7.134 2.221 6.785 1.00 0.00 H new ATOM 0 HG1 THR A 393 8.711 -0.128 6.317 1.00 0.00 H new ATOM 0 HG21 THR A 393 8.029 1.455 8.959 1.00 0.00 H new ATOM 0 HG22 THR A 393 6.280 1.161 8.821 1.00 0.00 H new ATOM 0 HG23 THR A 393 7.427 -0.185 8.620 1.00 0.00 H new ATOM 176 N GLU A 394 5.410 -1.914 6.243 1.00 0.00 N ATOM 177 CA GLU A 394 5.464 -3.368 6.375 1.00 0.00 C ATOM 178 C GLU A 394 4.424 -4.013 5.470 1.00 0.00 C ATOM 179 O GLU A 394 3.298 -3.525 5.379 1.00 0.00 O ATOM 180 CB GLU A 394 5.184 -3.777 7.821 1.00 0.00 C ATOM 181 CG GLU A 394 6.168 -3.212 8.828 1.00 0.00 C ATOM 182 CD GLU A 394 5.670 -3.347 10.248 1.00 0.00 C ATOM 183 OE1 GLU A 394 5.476 -4.490 10.708 1.00 0.00 O ATOM 184 OE2 GLU A 394 5.454 -2.306 10.905 1.00 0.00 O ATOM 0 H GLU A 394 4.473 -1.547 6.076 1.00 0.00 H new ATOM 0 HA GLU A 394 6.460 -3.703 6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 394 4.179 -3.453 8.090 1.00 0.00 H new ATOM 0 HB3 GLU A 394 5.197 -4.865 7.888 1.00 0.00 H new ATOM 0 HG2 GLU A 394 7.123 -3.727 8.729 1.00 0.00 H new ATOM 0 HG3 GLU A 394 6.349 -2.160 8.606 1.00 0.00 H new ATOM 191 N GLU A 395 4.811 -5.075 4.771 1.00 0.00 N ATOM 192 CA GLU A 395 3.913 -5.748 3.836 1.00 0.00 C ATOM 193 C GLU A 395 2.583 -6.154 4.489 1.00 0.00 C ATOM 194 O GLU A 395 1.523 -5.824 3.957 1.00 0.00 O ATOM 195 CB GLU A 395 4.590 -6.974 3.210 1.00 0.00 C ATOM 196 CG GLU A 395 3.679 -7.755 2.273 1.00 0.00 C ATOM 197 CD GLU A 395 4.403 -8.861 1.539 1.00 0.00 C ATOM 198 OE1 GLU A 395 5.039 -9.703 2.200 1.00 0.00 O ATOM 199 OE2 GLU A 395 4.341 -8.899 0.293 1.00 0.00 O ATOM 0 H GLU A 395 5.741 -5.489 4.834 1.00 0.00 H new ATOM 0 HA GLU A 395 3.685 -5.027 3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 395 5.474 -6.651 2.660 1.00 0.00 H new ATOM 0 HB3 GLU A 395 4.934 -7.635 4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 395 2.857 -8.183 2.846 1.00 0.00 H new ATOM 0 HG3 GLU A 395 3.239 -7.071 1.547 1.00 0.00 H new ATOM 206 N PRO A 396 2.596 -6.900 5.622 1.00 0.00 N ATOM 207 CA PRO A 396 1.358 -7.370 6.261 1.00 0.00 C ATOM 208 C PRO A 396 0.388 -6.236 6.594 1.00 0.00 C ATOM 209 O PRO A 396 -0.769 -6.267 6.182 1.00 0.00 O ATOM 210 CB PRO A 396 1.848 -8.041 7.543 1.00 0.00 C ATOM 211 CG PRO A 396 3.242 -8.460 7.239 1.00 0.00 C ATOM 212 CD PRO A 396 3.795 -7.400 6.330 1.00 0.00 C ATOM 0 HA PRO A 396 0.797 -8.031 5.600 1.00 0.00 H new ATOM 0 HB2 PRO A 396 1.816 -7.353 8.388 1.00 0.00 H new ATOM 0 HB3 PRO A 396 1.225 -8.896 7.805 1.00 0.00 H new ATOM 0 HG2 PRO A 396 3.834 -8.542 8.151 1.00 0.00 H new ATOM 0 HG3 PRO A 396 3.261 -9.438 6.758 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.291 -6.608 6.891 1.00 0.00 H new ATOM 0 HD3 PRO A 396 4.531 -7.808 5.637 1.00 0.00 H new ATOM 220 N LYS A 397 0.871 -5.228 7.310 1.00 0.00 N ATOM 221 CA LYS A 397 0.035 -4.093 7.700 1.00 0.00 C ATOM 222 C LYS A 397 -0.492 -3.342 6.477 1.00 0.00 C ATOM 223 O LYS A 397 -1.662 -2.967 6.425 1.00 0.00 O ATOM 224 CB LYS A 397 0.817 -3.143 8.607 1.00 0.00 C ATOM 225 CG LYS A 397 1.207 -3.760 9.941 1.00 0.00 C ATOM 226 CD LYS A 397 2.093 -2.829 10.750 1.00 0.00 C ATOM 227 CE LYS A 397 2.518 -3.467 12.064 1.00 0.00 C ATOM 228 NZ LYS A 397 3.545 -2.653 12.769 1.00 0.00 N ATOM 0 H LYS A 397 1.837 -5.171 7.634 1.00 0.00 H new ATOM 0 HA LYS A 397 -0.822 -4.484 8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.719 -2.819 8.088 1.00 0.00 H new ATOM 0 HB3 LYS A 397 0.217 -2.252 8.790 1.00 0.00 H new ATOM 0 HG2 LYS A 397 0.308 -3.994 10.511 1.00 0.00 H new ATOM 0 HG3 LYS A 397 1.729 -4.701 9.768 1.00 0.00 H new ATOM 0 HD2 LYS A 397 2.977 -2.569 10.168 1.00 0.00 H new ATOM 0 HD3 LYS A 397 1.559 -1.900 10.951 1.00 0.00 H new ATOM 0 HE2 LYS A 397 1.646 -3.588 12.707 1.00 0.00 H new ATOM 0 HE3 LYS A 397 2.914 -4.464 11.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 3.833 -3.138 13.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 4.373 -2.530 12.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 3.147 -1.721 13.005 1.00 0.00 H new ATOM 242 N CYS A 398 0.375 -3.156 5.489 1.00 0.00 N ATOM 243 CA CYS A 398 0.009 -2.470 4.251 1.00 0.00 C ATOM 244 C CYS A 398 -1.080 -3.255 3.525 1.00 0.00 C ATOM 245 O CYS A 398 -2.023 -2.689 2.983 1.00 0.00 O ATOM 246 CB CYS A 398 1.238 -2.336 3.348 1.00 0.00 C ATOM 247 SG CYS A 398 1.000 -1.256 1.903 1.00 0.00 S ATOM 0 H CYS A 398 1.344 -3.473 5.520 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.368 -1.476 4.494 1.00 0.00 H new ATOM 0 HB2 CYS A 398 2.068 -1.951 3.940 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.527 -3.328 3.001 1.00 0.00 H new ATOM 252 N SER A 399 -0.938 -4.576 3.547 1.00 0.00 N ATOM 253 CA SER A 399 -1.893 -5.472 2.918 1.00 0.00 C ATOM 254 C SER A 399 -3.242 -5.439 3.636 1.00 0.00 C ATOM 255 O SER A 399 -4.290 -5.577 3.008 1.00 0.00 O ATOM 256 CB SER A 399 -1.328 -6.892 2.902 1.00 0.00 C ATOM 257 OG SER A 399 -0.124 -6.950 2.153 1.00 0.00 O ATOM 0 H SER A 399 -0.158 -5.052 4.001 1.00 0.00 H new ATOM 0 HA SER A 399 -2.059 -5.138 1.894 1.00 0.00 H new ATOM 0 HB2 SER A 399 -1.142 -7.225 3.923 1.00 0.00 H new ATOM 0 HB3 SER A 399 -2.061 -7.575 2.473 1.00 0.00 H new ATOM 0 HG SER A 399 0.611 -6.580 2.685 1.00 0.00 H new ATOM 263 N GLU A 400 -3.207 -5.236 4.950 1.00 0.00 N ATOM 264 CA GLU A 400 -4.426 -5.148 5.748 1.00 0.00 C ATOM 265 C GLU A 400 -5.229 -3.909 5.370 1.00 0.00 C ATOM 266 O GLU A 400 -6.454 -3.893 5.487 1.00 0.00 O ATOM 267 CB GLU A 400 -4.098 -5.109 7.240 1.00 0.00 C ATOM 268 CG GLU A 400 -3.385 -6.347 7.760 1.00 0.00 C ATOM 269 CD GLU A 400 -4.207 -7.611 7.622 1.00 0.00 C ATOM 270 OE1 GLU A 400 -4.333 -8.134 6.494 1.00 0.00 O ATOM 271 OE2 GLU A 400 -4.733 -8.092 8.646 1.00 0.00 O ATOM 0 H GLU A 400 -2.346 -5.129 5.486 1.00 0.00 H new ATOM 0 HA GLU A 400 -5.023 -6.036 5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.477 -4.236 7.440 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -5.024 -4.976 7.800 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -2.446 -6.471 7.220 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -3.132 -6.199 8.810 1.00 0.00 H new ATOM 278 N GLU A 401 -4.525 -2.866 4.935 1.00 0.00 N ATOM 279 CA GLU A 401 -5.159 -1.618 4.522 1.00 0.00 C ATOM 280 C GLU A 401 -6.206 -1.871 3.445 1.00 0.00 C ATOM 281 O GLU A 401 -5.985 -2.660 2.521 1.00 0.00 O ATOM 282 CB GLU A 401 -4.115 -0.639 3.990 1.00 0.00 C ATOM 283 CG GLU A 401 -3.160 -0.102 5.040 1.00 0.00 C ATOM 284 CD GLU A 401 -3.826 0.843 6.019 1.00 0.00 C ATOM 285 OE1 GLU A 401 -5.041 1.103 5.881 1.00 0.00 O ATOM 286 OE2 GLU A 401 -3.145 1.328 6.945 1.00 0.00 O ATOM 0 H GLU A 401 -3.508 -2.862 4.860 1.00 0.00 H new ATOM 0 HA GLU A 401 -5.647 -1.188 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.536 -1.134 3.210 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.629 0.201 3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -2.725 -0.937 5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -2.339 0.416 4.545 1.00 0.00 H new ATOM 293 N LYS A 402 -7.344 -1.203 3.572 1.00 0.00 N ATOM 294 CA LYS A 402 -8.431 -1.346 2.616 1.00 0.00 C ATOM 295 C LYS A 402 -7.976 -0.919 1.225 1.00 0.00 C ATOM 296 O LYS A 402 -7.460 0.189 1.051 1.00 0.00 O ATOM 297 CB LYS A 402 -9.639 -0.509 3.050 1.00 0.00 C ATOM 298 CG LYS A 402 -10.254 -0.920 4.387 1.00 0.00 C ATOM 299 CD LYS A 402 -11.079 -2.199 4.278 1.00 0.00 C ATOM 300 CE LYS A 402 -10.218 -3.454 4.317 1.00 0.00 C ATOM 301 NZ LYS A 402 -9.616 -3.673 5.659 1.00 0.00 N ATOM 0 H LYS A 402 -7.538 -0.553 4.333 1.00 0.00 H new ATOM 0 HA LYS A 402 -8.723 -2.396 2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.336 0.536 3.111 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -10.405 -0.574 2.278 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -9.460 -1.064 5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -10.887 -0.113 4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -11.801 -2.232 5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -11.649 -2.182 3.349 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -10.824 -4.318 4.046 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -9.426 -3.374 3.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -8.581 -3.724 5.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -9.872 -2.885 6.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -9.974 -4.564 6.059 1.00 0.00 H new ATOM 315 N ILE A 403 -8.180 -1.817 0.254 1.00 0.00 N ATOM 316 CA ILE A 403 -7.828 -1.602 -1.158 1.00 0.00 C ATOM 317 C ILE A 403 -6.425 -0.985 -1.332 1.00 0.00 C ATOM 318 O ILE A 403 -6.164 -0.215 -2.256 1.00 0.00 O ATOM 319 CB ILE A 403 -8.942 -0.806 -1.914 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.658 -0.741 -3.421 1.00 0.00 C ATOM 321 CG2 ILE A 403 -9.129 0.595 -1.348 1.00 0.00 C ATOM 322 CD1 ILE A 403 -9.797 -0.158 -4.228 1.00 0.00 C ATOM 0 H ILE A 403 -8.601 -2.729 0.428 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.774 -2.585 -1.627 1.00 0.00 H new ATOM 0 HB ILE A 403 -9.873 -1.351 -1.762 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -7.762 -0.143 -3.588 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -8.443 -1.746 -3.785 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -9.912 1.110 -1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -9.413 0.528 -0.298 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -8.196 1.151 -1.437 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -9.525 -0.143 -5.283 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -10.689 -0.769 -4.092 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -9.998 0.859 -3.891 1.00 0.00 H new ATOM 334 N CYS A 404 -5.478 -1.476 -0.545 1.00 0.00 N ATOM 335 CA CYS A 404 -4.080 -1.111 -0.715 1.00 0.00 C ATOM 336 C CYS A 404 -3.241 -2.376 -0.899 1.00 0.00 C ATOM 337 O CYS A 404 -3.720 -3.477 -0.616 1.00 0.00 O ATOM 338 CB CYS A 404 -3.597 -0.306 0.484 1.00 0.00 C ATOM 339 SG CYS A 404 -1.938 0.398 0.280 1.00 0.00 S ATOM 0 H CYS A 404 -5.654 -2.129 0.219 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.972 -0.488 -1.603 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -4.303 0.503 0.674 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -3.602 -0.947 1.365 1.00 0.00 H new ATOM 344 N SER A 405 -2.033 -2.235 -1.444 1.00 0.00 N ATOM 345 CA SER A 405 -1.190 -3.392 -1.735 1.00 0.00 C ATOM 346 C SER A 405 0.288 -3.057 -1.558 1.00 0.00 C ATOM 347 O SER A 405 0.709 -1.919 -1.769 1.00 0.00 O ATOM 348 CB SER A 405 -1.442 -3.890 -3.162 1.00 0.00 C ATOM 349 OG SER A 405 -2.808 -4.217 -3.364 1.00 0.00 O ATOM 0 H SER A 405 -1.619 -1.336 -1.691 1.00 0.00 H new ATOM 0 HA SER A 405 -1.451 -4.180 -1.028 1.00 0.00 H new ATOM 0 HB2 SER A 405 -1.141 -3.122 -3.875 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.824 -4.766 -3.357 1.00 0.00 H new ATOM 0 HG SER A 405 -2.937 -4.530 -4.284 1.00 0.00 H new ATOM 355 N TRP A 406 1.063 -4.049 -1.150 1.00 0.00 N ATOM 356 CA TRP A 406 2.487 -3.866 -0.923 1.00 0.00 C ATOM 357 C TRP A 406 3.266 -3.897 -2.234 1.00 0.00 C ATOM 358 O TRP A 406 2.896 -4.588 -3.185 1.00 0.00 O ATOM 359 CB TRP A 406 3.020 -4.946 0.018 1.00 0.00 C ATOM 360 CG TRP A 406 4.440 -4.722 0.452 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.530 -5.461 0.099 1.00 0.00 C ATOM 362 CD2 TRP A 406 4.919 -3.706 1.338 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.651 -4.973 0.711 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.305 -3.896 1.479 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.312 -2.656 2.027 1.00 0.00 C ATOM 366 CZ2 TRP A 406 7.091 -3.075 2.279 1.00 0.00 C ATOM 367 CZ3 TRP A 406 5.093 -1.841 2.820 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.469 -2.056 2.941 1.00 0.00 C ATOM 0 H TRP A 406 0.727 -4.995 -0.968 1.00 0.00 H new ATOM 0 HA TRP A 406 2.625 -2.887 -0.464 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.383 -4.993 0.901 1.00 0.00 H new ATOM 0 HB3 TRP A 406 2.949 -5.914 -0.478 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.511 -6.310 -0.568 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.593 -5.351 0.611 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.249 -2.484 1.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 8.155 -3.237 2.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.634 -1.024 3.356 1.00 0.00 H new ATOM 0 HH2 TRP A 406 7.053 -1.402 3.572 1.00 0.00 H new ATOM 379 N HIS A 407 4.340 -3.137 -2.261 1.00 0.00 N ATOM 380 CA HIS A 407 5.226 -3.037 -3.406 1.00 0.00 C ATOM 381 C HIS A 407 6.622 -3.474 -2.966 1.00 0.00 C ATOM 382 O HIS A 407 7.355 -2.684 -2.377 1.00 0.00 O ATOM 383 CB HIS A 407 5.245 -1.581 -3.887 1.00 0.00 C ATOM 384 CG HIS A 407 5.665 -1.377 -5.302 1.00 0.00 C ATOM 385 ND1 HIS A 407 6.839 -1.859 -5.825 1.00 0.00 N ATOM 386 CD2 HIS A 407 5.062 -0.696 -6.302 1.00 0.00 C ATOM 387 CE1 HIS A 407 6.943 -1.484 -7.081 1.00 0.00 C ATOM 388 NE2 HIS A 407 5.878 -0.783 -7.396 1.00 0.00 N ATOM 0 H HIS A 407 4.629 -2.559 -1.472 1.00 0.00 H new ATOM 0 HA HIS A 407 4.888 -3.674 -4.224 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.247 -1.161 -3.759 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.915 -1.013 -3.242 1.00 0.00 H new ATOM 0 HD1 HIS A 407 7.524 -2.420 -5.319 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.115 -0.180 -6.247 1.00 0.00 H new ATOM 0 HE1 HIS A 407 7.766 -1.714 -7.742 1.00 0.00 H new ATOM 397 N LYS A 408 6.892 -4.775 -3.068 1.00 0.00 N ATOM 398 CA LYS A 408 8.123 -5.363 -2.521 1.00 0.00 C ATOM 399 C LYS A 408 9.375 -4.664 -3.048 1.00 0.00 C ATOM 400 O LYS A 408 10.067 -3.960 -2.306 1.00 0.00 O ATOM 401 CB LYS A 408 8.206 -6.850 -2.872 1.00 0.00 C ATOM 402 CG LYS A 408 7.127 -7.711 -2.240 1.00 0.00 C ATOM 403 CD LYS A 408 7.257 -9.156 -2.696 1.00 0.00 C ATOM 404 CE LYS A 408 6.242 -10.060 -2.022 1.00 0.00 C ATOM 405 NZ LYS A 408 6.493 -10.200 -0.565 1.00 0.00 N ATOM 0 H LYS A 408 6.275 -5.447 -3.525 1.00 0.00 H new ATOM 0 HA LYS A 408 8.082 -5.233 -1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 408 8.150 -6.958 -3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 408 9.181 -7.228 -2.564 1.00 0.00 H new ATOM 0 HG2 LYS A 408 7.203 -7.659 -1.154 1.00 0.00 H new ATOM 0 HG3 LYS A 408 6.143 -7.326 -2.510 1.00 0.00 H new ATOM 0 HD2 LYS A 408 7.127 -9.208 -3.777 1.00 0.00 H new ATOM 0 HD3 LYS A 408 8.263 -9.515 -2.479 1.00 0.00 H new ATOM 0 HE2 LYS A 408 5.241 -9.659 -2.179 1.00 0.00 H new ATOM 0 HE3 LYS A 408 6.268 -11.044 -2.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 6.167 -11.134 -0.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 7.512 -10.106 -0.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 5.977 -9.458 -0.051 1.00 0.00 H new ATOM 419 N GLU A 409 9.665 -4.867 -4.326 1.00 0.00 N ATOM 420 CA GLU A 409 10.820 -4.246 -4.954 1.00 0.00 C ATOM 421 C GLU A 409 10.484 -2.806 -5.306 1.00 0.00 C ATOM 422 O GLU A 409 9.393 -2.536 -5.792 1.00 0.00 O ATOM 423 CB GLU A 409 11.221 -5.012 -6.213 1.00 0.00 C ATOM 424 CG GLU A 409 12.503 -4.501 -6.846 1.00 0.00 C ATOM 425 CD GLU A 409 12.753 -5.072 -8.227 1.00 0.00 C ATOM 426 OE1 GLU A 409 11.873 -5.781 -8.757 1.00 0.00 O ATOM 427 OE2 GLU A 409 13.830 -4.795 -8.795 1.00 0.00 O ATOM 0 H GLU A 409 9.114 -5.458 -4.948 1.00 0.00 H new ATOM 0 HA GLU A 409 11.659 -4.267 -4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.342 -6.066 -5.965 1.00 0.00 H new ATOM 0 HB3 GLU A 409 10.413 -4.947 -6.942 1.00 0.00 H new ATOM 0 HG2 GLU A 409 12.461 -3.414 -6.911 1.00 0.00 H new ATOM 0 HG3 GLU A 409 13.344 -4.749 -6.199 1.00 0.00 H new ATOM 434 N VAL A 410 11.382 -1.880 -5.010 1.00 0.00 N ATOM 435 CA VAL A 410 11.109 -0.472 -5.254 1.00 0.00 C ATOM 436 C VAL A 410 12.323 0.256 -5.810 1.00 0.00 C ATOM 437 O VAL A 410 13.416 0.209 -5.237 1.00 0.00 O ATOM 438 CB VAL A 410 10.634 0.248 -3.976 1.00 0.00 C ATOM 439 CG1 VAL A 410 9.182 -0.087 -3.674 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.519 -0.114 -2.792 1.00 0.00 C ATOM 0 H VAL A 410 12.298 -2.074 -4.604 1.00 0.00 H new ATOM 0 HA VAL A 410 10.311 -0.446 -5.996 1.00 0.00 H new ATOM 0 HB VAL A 410 10.710 1.322 -4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 410 8.870 0.432 -2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.555 0.228 -4.508 1.00 0.00 H new ATOM 0 HG13 VAL A 410 9.079 -1.162 -3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 410 11.165 0.405 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.480 -1.190 -2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.547 0.183 -3.001 1.00 0.00 H new ATOM 450 N LYS A 411 12.101 0.995 -6.882 1.00 0.00 N ATOM 451 CA LYS A 411 13.123 1.853 -7.451 1.00 0.00 C ATOM 452 C LYS A 411 13.073 3.207 -6.754 1.00 0.00 C ATOM 453 O LYS A 411 12.027 3.581 -6.216 1.00 0.00 O ATOM 454 CB LYS A 411 12.894 2.016 -8.956 1.00 0.00 C ATOM 455 CG LYS A 411 14.019 2.737 -9.678 1.00 0.00 C ATOM 456 CD LYS A 411 13.758 2.837 -11.174 1.00 0.00 C ATOM 457 CE LYS A 411 13.610 1.465 -11.816 1.00 0.00 C ATOM 458 NZ LYS A 411 14.809 0.613 -11.601 1.00 0.00 N ATOM 0 H LYS A 411 11.211 1.017 -7.380 1.00 0.00 H new ATOM 0 HA LYS A 411 14.106 1.406 -7.303 1.00 0.00 H new ATOM 0 HB2 LYS A 411 12.763 1.030 -9.402 1.00 0.00 H new ATOM 0 HB3 LYS A 411 11.965 2.563 -9.114 1.00 0.00 H new ATOM 0 HG2 LYS A 411 14.136 3.738 -9.262 1.00 0.00 H new ATOM 0 HG3 LYS A 411 14.957 2.209 -9.507 1.00 0.00 H new ATOM 0 HD2 LYS A 411 12.852 3.418 -11.347 1.00 0.00 H new ATOM 0 HD3 LYS A 411 14.578 3.375 -11.651 1.00 0.00 H new ATOM 0 HE2 LYS A 411 12.733 0.966 -11.404 1.00 0.00 H new ATOM 0 HE3 LYS A 411 13.437 1.583 -12.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 14.739 -0.240 -12.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 15.664 1.145 -11.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 14.864 0.338 -10.600 1.00 0.00 H new ATOM 472 N ALA A 412 14.192 3.919 -6.724 1.00 0.00 N ATOM 473 CA ALA A 412 14.236 5.231 -6.088 1.00 0.00 C ATOM 474 C ALA A 412 13.208 6.164 -6.724 1.00 0.00 C ATOM 475 O ALA A 412 13.305 6.498 -7.909 1.00 0.00 O ATOM 476 CB ALA A 412 15.631 5.826 -6.188 1.00 0.00 C ATOM 0 H ALA A 412 15.077 3.613 -7.130 1.00 0.00 H new ATOM 0 HA ALA A 412 13.990 5.113 -5.033 1.00 0.00 H new ATOM 0 HB1 ALA A 412 15.644 6.805 -5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 412 16.344 5.168 -5.691 1.00 0.00 H new ATOM 0 HB3 ALA A 412 15.907 5.933 -7.237 1.00 0.00 H new ATOM 482 N GLY A 413 12.164 6.470 -5.970 1.00 0.00 N ATOM 483 CA GLY A 413 11.073 7.257 -6.496 1.00 0.00 C ATOM 484 C GLY A 413 9.725 6.664 -6.135 1.00 0.00 C ATOM 485 O GLY A 413 8.756 7.392 -5.920 1.00 0.00 O ATOM 0 H GLY A 413 12.054 6.184 -4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 413 11.138 8.274 -6.108 1.00 0.00 H new ATOM 0 HA3 GLY A 413 11.162 7.323 -7.580 1.00 0.00 H new ATOM 489 N GLU A 414 9.655 5.337 -6.101 1.00 0.00 N ATOM 490 CA GLU A 414 8.405 4.642 -5.817 1.00 0.00 C ATOM 491 C GLU A 414 8.097 4.639 -4.317 1.00 0.00 C ATOM 492 O GLU A 414 8.770 5.307 -3.526 1.00 0.00 O ATOM 493 CB GLU A 414 8.482 3.202 -6.325 1.00 0.00 C ATOM 494 CG GLU A 414 8.920 3.082 -7.774 1.00 0.00 C ATOM 495 CD GLU A 414 8.755 1.678 -8.318 1.00 0.00 C ATOM 496 OE1 GLU A 414 7.607 1.281 -8.602 1.00 0.00 O ATOM 497 OE2 GLU A 414 9.772 0.961 -8.456 1.00 0.00 O ATOM 0 H GLU A 414 10.451 4.721 -6.267 1.00 0.00 H new ATOM 0 HA GLU A 414 7.603 5.172 -6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 414 9.177 2.643 -5.698 1.00 0.00 H new ATOM 0 HB3 GLU A 414 7.504 2.735 -6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 414 8.340 3.774 -8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 414 9.965 3.380 -7.860 1.00 0.00 H new ATOM 504 N LYS A 415 7.134 3.809 -3.933 1.00 0.00 N ATOM 505 CA LYS A 415 6.767 3.626 -2.536 1.00 0.00 C ATOM 506 C LYS A 415 6.378 2.178 -2.308 1.00 0.00 C ATOM 507 O LYS A 415 5.720 1.574 -3.155 1.00 0.00 O ATOM 508 CB LYS A 415 5.596 4.540 -2.152 1.00 0.00 C ATOM 509 CG LYS A 415 6.011 5.914 -1.651 1.00 0.00 C ATOM 510 CD LYS A 415 6.612 5.841 -0.254 1.00 0.00 C ATOM 511 CE LYS A 415 5.596 5.352 0.768 1.00 0.00 C ATOM 512 NZ LYS A 415 6.180 5.230 2.129 1.00 0.00 N ATOM 0 H LYS A 415 6.586 3.244 -4.582 1.00 0.00 H new ATOM 0 HA LYS A 415 7.623 3.886 -1.913 1.00 0.00 H new ATOM 0 HB2 LYS A 415 4.948 4.663 -3.019 1.00 0.00 H new ATOM 0 HB3 LYS A 415 5.005 4.048 -1.379 1.00 0.00 H new ATOM 0 HG2 LYS A 415 6.737 6.349 -2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 415 5.145 6.576 -1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 415 7.472 5.172 -0.262 1.00 0.00 H new ATOM 0 HD3 LYS A 415 6.977 6.826 0.038 1.00 0.00 H new ATOM 0 HE2 LYS A 415 4.753 6.042 0.797 1.00 0.00 H new ATOM 0 HE3 LYS A 415 5.205 4.384 0.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 5.416 5.111 2.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 6.812 4.405 2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 6.721 6.089 2.353 1.00 0.00 H new ATOM 526 N ASN A 416 6.852 1.595 -1.218 1.00 0.00 N ATOM 527 CA ASN A 416 6.564 0.195 -0.938 1.00 0.00 C ATOM 528 C ASN A 416 5.094 0.020 -0.589 1.00 0.00 C ATOM 529 O ASN A 416 4.399 -0.787 -1.183 1.00 0.00 O ATOM 530 CB ASN A 416 7.429 -0.349 0.199 1.00 0.00 C ATOM 531 CG ASN A 416 8.910 -0.342 -0.125 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.539 0.714 -0.219 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.472 -1.524 -0.319 1.00 0.00 N ATOM 0 H ASN A 416 7.431 2.062 -0.520 1.00 0.00 H new ATOM 0 HA ASN A 416 6.798 -0.371 -1.840 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.256 0.246 1.096 1.00 0.00 H new ATOM 0 HB3 ASN A 416 7.118 -1.368 0.428 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.462 -1.585 -0.556 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.915 -2.374 -0.231 1.00 0.00 H new ATOM 540 N CYS A 417 4.596 0.837 0.312 1.00 0.00 N ATOM 541 CA CYS A 417 3.178 0.808 0.614 1.00 0.00 C ATOM 542 C CYS A 417 2.470 1.849 -0.236 1.00 0.00 C ATOM 543 O CYS A 417 2.886 3.012 -0.264 1.00 0.00 O ATOM 544 CB CYS A 417 2.945 1.068 2.094 1.00 0.00 C ATOM 545 SG CYS A 417 1.286 0.602 2.661 1.00 0.00 S ATOM 0 H CYS A 417 5.138 1.519 0.842 1.00 0.00 H new ATOM 0 HA CYS A 417 2.775 -0.178 0.383 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.686 0.516 2.672 1.00 0.00 H new ATOM 0 HB3 CYS A 417 3.106 2.127 2.298 1.00 0.00 H new ATOM 550 N GLN A 418 1.487 1.414 -1.019 1.00 0.00 N ATOM 551 CA GLN A 418 0.847 2.302 -1.980 1.00 0.00 C ATOM 552 C GLN A 418 -0.477 1.742 -2.481 1.00 0.00 C ATOM 553 O GLN A 418 -0.708 0.532 -2.473 1.00 0.00 O ATOM 554 CB GLN A 418 1.789 2.582 -3.160 1.00 0.00 C ATOM 555 CG GLN A 418 2.474 1.344 -3.732 1.00 0.00 C ATOM 556 CD GLN A 418 1.576 0.531 -4.644 1.00 0.00 C ATOM 557 OE1 GLN A 418 1.129 1.014 -5.685 1.00 0.00 O ATOM 558 NE2 GLN A 418 1.295 -0.703 -4.259 1.00 0.00 N ATOM 0 H GLN A 418 1.120 0.462 -1.007 1.00 0.00 H new ATOM 0 HA GLN A 418 0.631 3.238 -1.465 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.221 3.067 -3.954 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.554 3.289 -2.838 1.00 0.00 H new ATOM 0 HG2 GLN A 418 3.361 1.651 -4.286 1.00 0.00 H new ATOM 0 HG3 GLN A 418 2.814 0.713 -2.911 1.00 0.00 H new ATOM 0 HE21 GLN A 418 1.685 -1.067 -3.390 1.00 0.00 H new ATOM 0 HE22 GLN A 418 0.689 -1.290 -4.831 1.00 0.00 H new ATOM 567 N PHE A 419 -1.344 2.647 -2.902 1.00 0.00 N ATOM 568 CA PHE A 419 -2.657 2.288 -3.414 1.00 0.00 C ATOM 569 C PHE A 419 -2.528 1.468 -4.691 1.00 0.00 C ATOM 570 O PHE A 419 -1.824 1.867 -5.621 1.00 0.00 O ATOM 571 CB PHE A 419 -3.458 3.552 -3.700 1.00 0.00 C ATOM 572 CG PHE A 419 -4.933 3.324 -3.722 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.581 2.891 -2.584 1.00 0.00 C ATOM 574 CD2 PHE A 419 -5.664 3.525 -4.878 1.00 0.00 C ATOM 575 CE1 PHE A 419 -6.943 2.668 -2.595 1.00 0.00 C ATOM 576 CE2 PHE A 419 -7.028 3.306 -4.895 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.666 2.874 -3.752 1.00 0.00 C ATOM 0 H PHE A 419 -1.159 3.650 -2.899 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.171 1.688 -2.663 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -3.224 4.301 -2.943 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -3.146 3.962 -4.661 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.018 2.725 -1.677 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -5.164 3.856 -5.776 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.443 2.332 -1.698 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -7.592 3.473 -5.801 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.731 2.697 -3.762 1.00 0.00 H new ATOM 587 N ASN A 420 -3.228 0.345 -4.750 1.00 0.00 N ATOM 588 CA ASN A 420 -3.188 -0.505 -5.938 1.00 0.00 C ATOM 589 C ASN A 420 -4.037 0.082 -7.057 1.00 0.00 C ATOM 590 O ASN A 420 -3.707 -0.070 -8.233 1.00 0.00 O ATOM 591 CB ASN A 420 -3.632 -1.940 -5.627 1.00 0.00 C ATOM 592 CG ASN A 420 -4.964 -2.025 -4.905 1.00 0.00 C ATOM 593 OD1 ASN A 420 -5.994 -1.569 -5.401 1.00 0.00 O ATOM 594 ND2 ASN A 420 -4.959 -2.648 -3.742 1.00 0.00 N ATOM 0 H ASN A 420 -3.826 0.001 -3.999 1.00 0.00 H new ATOM 0 HA ASN A 420 -2.151 -0.543 -6.271 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -3.698 -2.500 -6.560 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -2.868 -2.423 -5.018 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -5.829 -2.765 -3.222 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -4.085 -3.013 -3.363 1.00 0.00 H new ATOM 601 N SER A 421 -5.144 0.716 -6.670 1.00 0.00 N ATOM 602 CA SER A 421 -6.098 1.302 -7.608 1.00 0.00 C ATOM 603 C SER A 421 -6.805 0.215 -8.418 1.00 0.00 C ATOM 604 O SER A 421 -6.188 -0.477 -9.229 1.00 0.00 O ATOM 605 CB SER A 421 -5.404 2.307 -8.540 1.00 0.00 C ATOM 606 OG SER A 421 -6.348 3.032 -9.309 1.00 0.00 O ATOM 0 H SER A 421 -5.404 0.837 -5.691 1.00 0.00 H new ATOM 0 HA SER A 421 -6.850 1.838 -7.029 1.00 0.00 H new ATOM 0 HB2 SER A 421 -4.804 2.999 -7.950 1.00 0.00 H new ATOM 0 HB3 SER A 421 -4.720 1.778 -9.204 1.00 0.00 H new ATOM 0 HG SER A 421 -5.878 3.665 -9.891 1.00 0.00 H new ATOM 612 N THR A 422 -8.121 0.117 -8.221 1.00 0.00 N ATOM 613 CA THR A 422 -8.969 -0.834 -8.941 1.00 0.00 C ATOM 614 C THR A 422 -8.376 -2.244 -8.960 1.00 0.00 C ATOM 615 O THR A 422 -8.176 -2.832 -10.024 1.00 0.00 O ATOM 616 CB THR A 422 -9.270 -0.365 -10.384 1.00 0.00 C ATOM 617 OG1 THR A 422 -8.068 0.070 -11.039 1.00 0.00 O ATOM 618 CG2 THR A 422 -10.285 0.768 -10.383 1.00 0.00 C ATOM 0 H THR A 422 -8.630 0.698 -7.555 1.00 0.00 H new ATOM 0 HA THR A 422 -9.909 -0.872 -8.390 1.00 0.00 H new ATOM 0 HB THR A 422 -9.685 -1.213 -10.928 1.00 0.00 H new ATOM 0 HG1 THR A 422 -7.301 -0.419 -10.673 1.00 0.00 H new ATOM 0 HG21 THR A 422 -10.481 1.082 -11.408 1.00 0.00 H new ATOM 0 HG22 THR A 422 -11.213 0.425 -9.925 1.00 0.00 H new ATOM 0 HG23 THR A 422 -9.889 1.610 -9.815 1.00 0.00 H new ATOM 626 N LYS A 423 -8.094 -2.782 -7.783 1.00 0.00 N ATOM 627 CA LYS A 423 -7.531 -4.119 -7.679 1.00 0.00 C ATOM 628 C LYS A 423 -7.839 -4.710 -6.311 1.00 0.00 C ATOM 629 O LYS A 423 -8.446 -5.778 -6.219 1.00 0.00 O ATOM 630 CB LYS A 423 -6.013 -4.070 -7.908 1.00 0.00 C ATOM 631 CG LYS A 423 -5.403 -5.377 -8.403 1.00 0.00 C ATOM 632 CD LYS A 423 -5.366 -6.436 -7.313 1.00 0.00 C ATOM 633 CE LYS A 423 -4.694 -7.714 -7.788 1.00 0.00 C ATOM 634 NZ LYS A 423 -5.454 -8.384 -8.876 1.00 0.00 N ATOM 0 H LYS A 423 -8.245 -2.315 -6.889 1.00 0.00 H new ATOM 0 HA LYS A 423 -7.980 -4.753 -8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -5.793 -3.285 -8.631 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -5.527 -3.788 -6.974 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -5.980 -5.748 -9.250 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -4.391 -5.192 -8.763 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -4.833 -6.046 -6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -6.382 -6.659 -6.989 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -3.688 -7.483 -8.140 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -4.588 -8.400 -6.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -5.022 -9.307 -9.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -6.440 -8.523 -8.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -5.432 -7.792 -9.730 1.00 0.00 H new ATOM 648 N ALA A 424 -7.434 -3.988 -5.262 1.00 0.00 N ATOM 649 CA ALA A 424 -7.637 -4.410 -3.874 1.00 0.00 C ATOM 650 C ALA A 424 -6.856 -5.688 -3.548 1.00 0.00 C ATOM 651 O ALA A 424 -6.694 -6.570 -4.390 1.00 0.00 O ATOM 652 CB ALA A 424 -9.120 -4.585 -3.574 1.00 0.00 C ATOM 0 H ALA A 424 -6.955 -3.092 -5.352 1.00 0.00 H new ATOM 0 HA ALA A 424 -7.248 -3.620 -3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -9.247 -4.899 -2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -9.637 -3.639 -3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -9.538 -5.343 -4.236 1.00 0.00 H new ATOM 658 N SER A 425 -6.382 -5.796 -2.318 1.00 0.00 N ATOM 659 CA SER A 425 -5.681 -6.992 -1.878 1.00 0.00 C ATOM 660 C SER A 425 -6.681 -8.099 -1.561 1.00 0.00 C ATOM 661 O SER A 425 -6.600 -9.200 -2.114 1.00 0.00 O ATOM 662 CB SER A 425 -4.801 -6.673 -0.667 1.00 0.00 C ATOM 663 OG SER A 425 -5.396 -5.675 0.147 1.00 0.00 O ATOM 0 H SER A 425 -6.469 -5.071 -1.606 1.00 0.00 H new ATOM 0 HA SER A 425 -5.033 -7.343 -2.681 1.00 0.00 H new ATOM 0 HB2 SER A 425 -4.642 -7.578 -0.081 1.00 0.00 H new ATOM 0 HB3 SER A 425 -3.821 -6.335 -1.004 1.00 0.00 H new ATOM 0 HG SER A 425 -4.931 -4.823 0.012 1.00 0.00 H new ATOM 669 N LYS A 426 -7.710 -7.749 -0.798 1.00 0.00 N ATOM 670 CA LYS A 426 -8.809 -8.664 -0.526 1.00 0.00 C ATOM 671 C LYS A 426 -9.920 -8.462 -1.550 1.00 0.00 C ATOM 672 O LYS A 426 -9.832 -7.580 -2.408 1.00 0.00 O ATOM 673 CB LYS A 426 -9.353 -8.455 0.893 1.00 0.00 C ATOM 674 CG LYS A 426 -9.929 -7.068 1.141 1.00 0.00 C ATOM 675 CD LYS A 426 -10.487 -6.942 2.551 1.00 0.00 C ATOM 676 CE LYS A 426 -11.677 -7.867 2.775 1.00 0.00 C ATOM 677 NZ LYS A 426 -12.104 -7.885 4.199 1.00 0.00 N ATOM 0 H LYS A 426 -7.805 -6.835 -0.356 1.00 0.00 H new ATOM 0 HA LYS A 426 -8.435 -9.685 -0.602 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -10.127 -9.198 1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -8.551 -8.637 1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -9.154 -6.318 0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -10.718 -6.865 0.417 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -9.705 -7.175 3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -10.790 -5.910 2.731 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -12.510 -7.545 2.150 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -11.415 -8.878 2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -12.916 -8.526 4.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -11.317 -8.217 4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -12.378 -6.925 4.491 1.00 0.00 H new ATOM 691 N SER A 427 -10.983 -9.238 -1.435 1.00 0.00 N ATOM 692 CA SER A 427 -12.108 -9.103 -2.336 1.00 0.00 C ATOM 693 C SER A 427 -13.383 -9.533 -1.632 1.00 0.00 C ATOM 694 O SER A 427 -13.354 -10.564 -0.929 1.00 0.00 O ATOM 695 CB SER A 427 -11.886 -9.942 -3.601 1.00 0.00 C ATOM 696 OG SER A 427 -12.716 -9.493 -4.661 1.00 0.00 O ATOM 697 OXT SER A 427 -14.405 -8.826 -1.761 1.00 0.00 O ATOM 0 H SER A 427 -11.089 -9.966 -0.728 1.00 0.00 H new ATOM 0 HA SER A 427 -12.201 -8.058 -2.632 1.00 0.00 H new ATOM 0 HB2 SER A 427 -10.840 -9.882 -3.903 1.00 0.00 H new ATOM 0 HB3 SER A 427 -12.097 -10.990 -3.388 1.00 0.00 H new ATOM 0 HG SER A 427 -12.556 -10.042 -5.457 1.00 0.00 H new TER 703 SER A 427