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 Set 1.1: A 421 SER OG : rot 14:sc= 0.825 USER MOD Set 1.2: A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 SER OG : rot 37:sc= 0.0674 USER MOD Single : A 390 ASN :FLIP amide:sc= -0.345 F(o=-1.2!,f=-0.35) USER MOD Single : A 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 393 THR OG1 : rot -1:sc= 0.987 USER MOD Single : A 397 LYS NZ :NH3+ -166:sc= -0.0188 (180deg=-0.268) USER MOD Single : A 399 SER OG : rot 180:sc= 0 USER MOD Single : A 402 LYS NZ :NH3+ 165:sc= -0.0338 (180deg=-0.28) USER MOD Single : A 405 SER OG : rot 180:sc= 0 USER MOD Single : A 407 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-3.4!) USER MOD Single : A 408 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0554) USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 415 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.058) USER MOD Single : A 416 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 418 GLN :FLIP amide:sc= -0.994 F(o=-2.1!,f=-0.99) USER MOD Single : A 420 ASN : amide:sc= -0.146 K(o=-0.15,f=-5.6!) USER MOD Single : A 422 THR OG1 : rot 180:sc= 0.0374 USER MOD ----------------------------------------------------------------- ATOM 32 N SER A 384 -5.745 11.888 0.111 1.00 0.00 N ATOM 33 CA SER A 384 -5.400 10.985 -0.976 1.00 0.00 C ATOM 34 C SER A 384 -5.229 9.562 -0.449 1.00 0.00 C ATOM 35 O SER A 384 -4.545 9.345 0.556 1.00 0.00 O ATOM 36 CB SER A 384 -4.120 11.457 -1.667 1.00 0.00 C ATOM 37 OG SER A 384 -4.276 12.767 -2.190 1.00 0.00 O ATOM 0 HA SER A 384 -6.210 10.988 -1.705 1.00 0.00 H new ATOM 0 HB2 SER A 384 -3.293 11.441 -0.957 1.00 0.00 H new ATOM 0 HB3 SER A 384 -3.862 10.769 -2.472 1.00 0.00 H new ATOM 0 HG SER A 384 -4.830 13.299 -1.581 1.00 0.00 H new ATOM 43 N PRO A 385 -5.886 8.580 -1.090 1.00 0.00 N ATOM 44 CA PRO A 385 -5.847 7.180 -0.659 1.00 0.00 C ATOM 45 C PRO A 385 -4.426 6.623 -0.615 1.00 0.00 C ATOM 46 O PRO A 385 -4.063 5.901 0.318 1.00 0.00 O ATOM 47 CB PRO A 385 -6.689 6.440 -1.708 1.00 0.00 C ATOM 48 CG PRO A 385 -6.837 7.390 -2.848 1.00 0.00 C ATOM 49 CD PRO A 385 -6.761 8.766 -2.257 1.00 0.00 C ATOM 0 HA PRO A 385 -6.227 7.064 0.356 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.199 5.520 -2.026 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.661 6.159 -1.303 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -6.049 7.239 -3.586 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -7.787 7.238 -3.361 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -6.345 9.485 -2.962 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -7.745 9.136 -1.968 1.00 0.00 H new ATOM 57 N GLU A 386 -3.610 7.001 -1.595 1.00 0.00 N ATOM 58 CA GLU A 386 -2.213 6.584 -1.634 1.00 0.00 C ATOM 59 C GLU A 386 -1.480 7.070 -0.389 1.00 0.00 C ATOM 60 O GLU A 386 -0.832 6.288 0.307 1.00 0.00 O ATOM 61 CB GLU A 386 -1.527 7.136 -2.886 1.00 0.00 C ATOM 62 CG GLU A 386 -0.053 6.780 -2.986 1.00 0.00 C ATOM 63 CD GLU A 386 0.671 7.606 -4.029 1.00 0.00 C ATOM 64 OE1 GLU A 386 0.620 8.853 -3.941 1.00 0.00 O ATOM 65 OE2 GLU A 386 1.315 7.023 -4.924 1.00 0.00 O ATOM 0 H GLU A 386 -3.893 7.596 -2.373 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.180 5.495 -1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.043 6.758 -3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -1.631 8.221 -2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 386 0.421 6.929 -2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 386 0.047 5.722 -3.230 1.00 0.00 H new ATOM 72 N ALA A 387 -1.623 8.359 -0.105 1.00 0.00 N ATOM 73 CA ALA A 387 -0.979 8.982 1.044 1.00 0.00 C ATOM 74 C ALA A 387 -1.376 8.306 2.352 1.00 0.00 C ATOM 75 O ALA A 387 -0.550 8.165 3.255 1.00 0.00 O ATOM 76 CB ALA A 387 -1.311 10.462 1.091 1.00 0.00 C ATOM 0 H ALA A 387 -2.187 9.000 -0.663 1.00 0.00 H new ATOM 0 HA ALA A 387 0.098 8.860 0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -0.824 10.917 1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -0.957 10.943 0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -2.390 10.590 1.174 1.00 0.00 H new ATOM 82 N GLU A 388 -2.631 7.868 2.438 1.00 0.00 N ATOM 83 CA GLU A 388 -3.120 7.177 3.626 1.00 0.00 C ATOM 84 C GLU A 388 -2.327 5.893 3.874 1.00 0.00 C ATOM 85 O GLU A 388 -1.788 5.685 4.959 1.00 0.00 O ATOM 86 CB GLU A 388 -4.607 6.848 3.487 1.00 0.00 C ATOM 87 CG GLU A 388 -5.505 8.072 3.455 1.00 0.00 C ATOM 88 CD GLU A 388 -6.972 7.711 3.381 1.00 0.00 C ATOM 89 OE1 GLU A 388 -7.400 7.148 2.353 1.00 0.00 O ATOM 90 OE2 GLU A 388 -7.701 7.962 4.362 1.00 0.00 O ATOM 0 H GLU A 388 -3.325 7.980 1.699 1.00 0.00 H new ATOM 0 HA GLU A 388 -2.984 7.843 4.478 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.759 6.274 2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -4.908 6.210 4.318 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.326 8.673 4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -5.242 8.689 2.596 1.00 0.00 H new ATOM 97 N CYS A 389 -2.245 5.045 2.855 1.00 0.00 N ATOM 98 CA CYS A 389 -1.518 3.788 2.964 1.00 0.00 C ATOM 99 C CYS A 389 -0.007 4.015 3.068 1.00 0.00 C ATOM 100 O CYS A 389 0.697 3.242 3.713 1.00 0.00 O ATOM 101 CB CYS A 389 -1.866 2.899 1.777 1.00 0.00 C ATOM 102 SG CYS A 389 -3.630 2.440 1.740 1.00 0.00 S ATOM 0 H CYS A 389 -2.674 5.206 1.944 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.821 3.288 3.884 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.609 3.416 0.853 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -1.259 1.994 1.815 1.00 0.00 H new ATOM 107 N ASN A 390 0.471 5.118 2.498 1.00 0.00 N ATOM 108 CA ASN A 390 1.891 5.478 2.565 1.00 0.00 C ATOM 109 C ASN A 390 2.395 5.543 4.009 1.00 0.00 C ATOM 110 O ASN A 390 3.573 5.314 4.262 1.00 0.00 O ATOM 111 CB ASN A 390 2.143 6.828 1.883 1.00 0.00 C ATOM 112 CG ASN A 390 2.195 6.746 0.364 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.277 5.540 -0.178 1.00 0.00 O flip ATOM 114 ND2 ASN A 390 2.186 7.768 -0.316 1.00 0.00 N flip ATOM 0 H ASN A 390 -0.105 5.783 1.981 1.00 0.00 H new ATOM 0 HA ASN A 390 2.440 4.695 2.042 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.356 7.524 2.174 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.084 7.240 2.248 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.122 8.680 0.135 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.243 7.705 -1.332 1.00 0.00 H new ATOM 121 N LYS A 391 1.511 5.903 4.939 1.00 0.00 N ATOM 122 CA LYS A 391 1.883 6.050 6.349 1.00 0.00 C ATOM 123 C LYS A 391 2.333 4.722 6.966 1.00 0.00 C ATOM 124 O LYS A 391 3.149 4.706 7.889 1.00 0.00 O ATOM 125 CB LYS A 391 0.705 6.607 7.156 1.00 0.00 C ATOM 126 CG LYS A 391 0.199 7.956 6.670 1.00 0.00 C ATOM 127 CD LYS A 391 -0.922 8.483 7.555 1.00 0.00 C ATOM 128 CE LYS A 391 -2.108 7.532 7.585 1.00 0.00 C ATOM 129 NZ LYS A 391 -3.175 8.003 8.507 1.00 0.00 N ATOM 0 H LYS A 391 0.530 6.099 4.742 1.00 0.00 H new ATOM 0 HA LYS A 391 2.722 6.745 6.387 1.00 0.00 H new ATOM 0 HB2 LYS A 391 -0.115 5.890 7.122 1.00 0.00 H new ATOM 0 HB3 LYS A 391 1.005 6.699 8.200 1.00 0.00 H new ATOM 0 HG2 LYS A 391 1.021 8.671 6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 391 -0.158 7.864 5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 391 -0.548 8.630 8.568 1.00 0.00 H new ATOM 0 HD3 LYS A 391 -1.246 9.458 7.190 1.00 0.00 H new ATOM 0 HE2 LYS A 391 -2.516 7.430 6.580 1.00 0.00 H new ATOM 0 HE3 LYS A 391 -1.772 6.542 7.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -3.965 7.327 8.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 -2.793 8.076 9.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -3.515 8.936 8.197 1.00 0.00 H new ATOM 143 N ILE A 392 1.692 3.635 6.546 1.00 0.00 N ATOM 144 CA ILE A 392 1.908 2.318 7.135 1.00 0.00 C ATOM 145 C ILE A 392 3.386 1.913 7.113 1.00 0.00 C ATOM 146 O ILE A 392 3.980 1.676 8.165 1.00 0.00 O ATOM 147 CB ILE A 392 1.056 1.246 6.405 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.436 1.380 6.747 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.532 -0.157 6.751 1.00 0.00 C ATOM 150 CD1 ILE A 392 -1.081 2.683 6.335 1.00 0.00 C ATOM 0 H ILE A 392 1.009 3.643 5.789 1.00 0.00 H new ATOM 0 HA ILE A 392 1.595 2.379 8.177 1.00 0.00 H new ATOM 0 HB ILE A 392 1.183 1.413 5.335 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.975 0.561 6.271 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -0.557 1.259 7.823 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.918 -0.889 6.226 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.573 -0.273 6.449 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.446 -0.315 7.826 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -2.133 2.675 6.622 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -0.576 3.512 6.831 1.00 0.00 H new ATOM 0 HD13 ILE A 392 -1.001 2.803 5.255 1.00 0.00 H new ATOM 162 N THR A 393 3.969 1.865 5.913 1.00 0.00 N ATOM 163 CA THR A 393 5.387 1.533 5.706 1.00 0.00 C ATOM 164 C THR A 393 5.774 0.193 6.346 1.00 0.00 C ATOM 165 O THR A 393 6.936 -0.040 6.664 1.00 0.00 O ATOM 166 CB THR A 393 6.333 2.648 6.232 1.00 0.00 C ATOM 167 OG1 THR A 393 6.276 2.746 7.663 1.00 0.00 O ATOM 168 CG2 THR A 393 5.968 3.995 5.633 1.00 0.00 C ATOM 0 H THR A 393 3.467 2.057 5.046 1.00 0.00 H new ATOM 0 HA THR A 393 5.511 1.449 4.626 1.00 0.00 H new ATOM 0 HB THR A 393 7.345 2.377 5.931 1.00 0.00 H new ATOM 0 HG1 THR A 393 5.630 2.095 8.010 1.00 0.00 H new ATOM 0 HG21 THR A 393 6.644 4.759 6.016 1.00 0.00 H new ATOM 0 HG22 THR A 393 6.054 3.946 4.548 1.00 0.00 H new ATOM 0 HG23 THR A 393 4.943 4.248 5.905 1.00 0.00 H new ATOM 176 N GLU A 394 4.807 -0.706 6.462 1.00 0.00 N ATOM 177 CA GLU A 394 5.045 -2.025 7.045 1.00 0.00 C ATOM 178 C GLU A 394 4.300 -3.088 6.245 1.00 0.00 C ATOM 179 O GLU A 394 3.145 -2.884 5.874 1.00 0.00 O ATOM 180 CB GLU A 394 4.587 -2.057 8.506 1.00 0.00 C ATOM 181 CG GLU A 394 5.370 -1.131 9.428 1.00 0.00 C ATOM 182 CD GLU A 394 6.784 -1.615 9.684 1.00 0.00 C ATOM 183 OE1 GLU A 394 6.943 -2.738 10.205 1.00 0.00 O ATOM 184 OE2 GLU A 394 7.742 -0.871 9.386 1.00 0.00 O ATOM 0 H GLU A 394 3.846 -0.548 6.160 1.00 0.00 H new ATOM 0 HA GLU A 394 6.115 -2.232 7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.532 -1.787 8.550 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.671 -3.078 8.879 1.00 0.00 H new ATOM 0 HG2 GLU A 394 5.406 -0.134 8.989 1.00 0.00 H new ATOM 0 HG3 GLU A 394 4.844 -1.042 10.378 1.00 0.00 H new ATOM 191 N GLU A 395 4.982 -4.183 5.926 1.00 0.00 N ATOM 192 CA GLU A 395 4.410 -5.229 5.079 1.00 0.00 C ATOM 193 C GLU A 395 3.147 -5.847 5.696 1.00 0.00 C ATOM 194 O GLU A 395 2.111 -5.876 5.036 1.00 0.00 O ATOM 195 CB GLU A 395 5.459 -6.313 4.762 1.00 0.00 C ATOM 196 CG GLU A 395 5.027 -7.303 3.683 1.00 0.00 C ATOM 197 CD GLU A 395 4.273 -8.505 4.222 1.00 0.00 C ATOM 198 OE1 GLU A 395 4.324 -8.749 5.445 1.00 0.00 O ATOM 199 OE2 GLU A 395 3.659 -9.239 3.414 1.00 0.00 O ATOM 0 H GLU A 395 5.934 -4.371 6.241 1.00 0.00 H new ATOM 0 HA GLU A 395 4.109 -4.758 4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 395 6.383 -5.828 4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.684 -6.863 5.675 1.00 0.00 H new ATOM 0 HG2 GLU A 395 4.398 -6.786 2.959 1.00 0.00 H new ATOM 0 HG3 GLU A 395 5.910 -7.650 3.147 1.00 0.00 H new ATOM 206 N PRO A 396 3.194 -6.358 6.952 1.00 0.00 N ATOM 207 CA PRO A 396 2.033 -7.012 7.575 1.00 0.00 C ATOM 208 C PRO A 396 0.792 -6.125 7.588 1.00 0.00 C ATOM 209 O PRO A 396 -0.302 -6.562 7.227 1.00 0.00 O ATOM 210 CB PRO A 396 2.499 -7.296 9.004 1.00 0.00 C ATOM 211 CG PRO A 396 3.981 -7.372 8.909 1.00 0.00 C ATOM 212 CD PRO A 396 4.377 -6.395 7.839 1.00 0.00 C ATOM 0 HA PRO A 396 1.735 -7.904 7.024 1.00 0.00 H new ATOM 0 HB2 PRO A 396 2.186 -6.506 9.687 1.00 0.00 H new ATOM 0 HB3 PRO A 396 2.078 -8.228 9.380 1.00 0.00 H new ATOM 0 HG2 PRO A 396 4.447 -7.118 9.861 1.00 0.00 H new ATOM 0 HG3 PRO A 396 4.305 -8.381 8.655 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.598 -5.412 8.255 1.00 0.00 H new ATOM 0 HD3 PRO A 396 5.269 -6.723 7.305 1.00 0.00 H new ATOM 220 N LYS A 397 0.970 -4.875 7.994 1.00 0.00 N ATOM 221 CA LYS A 397 -0.138 -3.934 8.059 1.00 0.00 C ATOM 222 C LYS A 397 -0.648 -3.592 6.664 1.00 0.00 C ATOM 223 O LYS A 397 -1.851 -3.607 6.417 1.00 0.00 O ATOM 224 CB LYS A 397 0.286 -2.656 8.782 1.00 0.00 C ATOM 225 CG LYS A 397 0.699 -2.875 10.226 1.00 0.00 C ATOM 226 CD LYS A 397 1.141 -1.575 10.880 1.00 0.00 C ATOM 227 CE LYS A 397 1.487 -1.776 12.347 1.00 0.00 C ATOM 228 NZ LYS A 397 0.311 -2.221 13.137 1.00 0.00 N ATOM 0 H LYS A 397 1.870 -4.490 8.283 1.00 0.00 H new ATOM 0 HA LYS A 397 -0.945 -4.408 8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.117 -2.203 8.241 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -0.539 -1.944 8.754 1.00 0.00 H new ATOM 0 HG2 LYS A 397 -0.135 -3.300 10.784 1.00 0.00 H new ATOM 0 HG3 LYS A 397 1.512 -3.600 10.268 1.00 0.00 H new ATOM 0 HD2 LYS A 397 2.008 -1.178 10.352 1.00 0.00 H new ATOM 0 HD3 LYS A 397 0.347 -0.834 10.791 1.00 0.00 H new ATOM 0 HE2 LYS A 397 2.284 -2.515 12.434 1.00 0.00 H new ATOM 0 HE3 LYS A 397 1.871 -0.843 12.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 0.516 -2.120 14.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 -0.514 -1.637 12.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 0.106 -3.218 12.923 1.00 0.00 H new ATOM 242 N CYS A 398 0.274 -3.273 5.764 1.00 0.00 N ATOM 243 CA CYS A 398 -0.075 -2.874 4.403 1.00 0.00 C ATOM 244 C CYS A 398 -0.746 -4.023 3.656 1.00 0.00 C ATOM 245 O CYS A 398 -1.652 -3.810 2.851 1.00 0.00 O ATOM 246 CB CYS A 398 1.179 -2.426 3.649 1.00 0.00 C ATOM 247 SG CYS A 398 0.849 -1.315 2.249 1.00 0.00 S ATOM 0 H CYS A 398 1.276 -3.283 5.953 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.777 -2.042 4.460 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.849 -1.924 4.347 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.704 -3.308 3.282 1.00 0.00 H new ATOM 252 N SER A 399 -0.278 -5.236 3.921 1.00 0.00 N ATOM 253 CA SER A 399 -0.802 -6.429 3.275 1.00 0.00 C ATOM 254 C SER A 399 -2.298 -6.579 3.546 1.00 0.00 C ATOM 255 O SER A 399 -3.064 -6.966 2.663 1.00 0.00 O ATOM 256 CB SER A 399 -0.042 -7.660 3.783 1.00 0.00 C ATOM 257 OG SER A 399 -0.407 -8.836 3.078 1.00 0.00 O ATOM 0 H SER A 399 0.472 -5.419 4.587 1.00 0.00 H new ATOM 0 HA SER A 399 -0.663 -6.338 2.198 1.00 0.00 H new ATOM 0 HB2 SER A 399 1.030 -7.493 3.679 1.00 0.00 H new ATOM 0 HB3 SER A 399 -0.242 -7.797 4.846 1.00 0.00 H new ATOM 0 HG SER A 399 0.099 -9.598 3.429 1.00 0.00 H new ATOM 263 N GLU A 400 -2.710 -6.281 4.772 1.00 0.00 N ATOM 264 CA GLU A 400 -4.108 -6.417 5.151 1.00 0.00 C ATOM 265 C GLU A 400 -4.863 -5.094 5.026 1.00 0.00 C ATOM 266 O GLU A 400 -5.948 -4.941 5.594 1.00 0.00 O ATOM 267 CB GLU A 400 -4.219 -6.935 6.581 1.00 0.00 C ATOM 268 CG GLU A 400 -3.557 -8.284 6.804 1.00 0.00 C ATOM 269 CD GLU A 400 -3.895 -8.867 8.159 1.00 0.00 C ATOM 270 OE1 GLU A 400 -4.740 -8.279 8.869 1.00 0.00 O ATOM 271 OE2 GLU A 400 -3.333 -9.923 8.519 1.00 0.00 O ATOM 0 H GLU A 400 -2.099 -5.945 5.516 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.563 -7.131 4.464 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.771 -6.206 7.256 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -5.273 -7.011 6.848 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -3.873 -8.976 6.023 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -2.476 -8.176 6.716 1.00 0.00 H new ATOM 278 N GLU A 401 -4.320 -4.164 4.252 1.00 0.00 N ATOM 279 CA GLU A 401 -4.992 -2.894 4.021 1.00 0.00 C ATOM 280 C GLU A 401 -5.968 -3.000 2.866 1.00 0.00 C ATOM 281 O GLU A 401 -5.644 -3.553 1.815 1.00 0.00 O ATOM 282 CB GLU A 401 -3.991 -1.774 3.750 1.00 0.00 C ATOM 283 CG GLU A 401 -3.378 -1.186 5.006 1.00 0.00 C ATOM 284 CD GLU A 401 -4.420 -0.617 5.953 1.00 0.00 C ATOM 285 OE1 GLU A 401 -5.240 -1.394 6.495 1.00 0.00 O ATOM 286 OE2 GLU A 401 -4.435 0.615 6.154 1.00 0.00 O ATOM 0 H GLU A 401 -3.423 -4.264 3.777 1.00 0.00 H new ATOM 0 HA GLU A 401 -5.543 -2.651 4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.194 -2.158 3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.490 -0.980 3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -2.806 -1.957 5.522 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -2.676 -0.400 4.729 1.00 0.00 H new ATOM 293 N LYS A 402 -7.155 -2.448 3.061 1.00 0.00 N ATOM 294 CA LYS A 402 -8.169 -2.438 2.024 1.00 0.00 C ATOM 295 C LYS A 402 -7.714 -1.585 0.844 1.00 0.00 C ATOM 296 O LYS A 402 -7.221 -0.471 1.031 1.00 0.00 O ATOM 297 CB LYS A 402 -9.499 -1.917 2.583 1.00 0.00 C ATOM 298 CG LYS A 402 -9.397 -0.547 3.241 1.00 0.00 C ATOM 299 CD LYS A 402 -10.747 -0.058 3.746 1.00 0.00 C ATOM 300 CE LYS A 402 -11.267 -0.903 4.900 1.00 0.00 C ATOM 301 NZ LYS A 402 -10.361 -0.860 6.078 1.00 0.00 N ATOM 0 H LYS A 402 -7.439 -2.000 3.932 1.00 0.00 H new ATOM 0 HA LYS A 402 -8.318 -3.459 1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -10.228 -1.867 1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -9.881 -2.632 3.312 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -8.694 -0.595 4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -8.995 0.170 2.525 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -10.659 0.980 4.068 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -11.468 -0.078 2.929 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -12.256 -0.549 5.191 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -11.382 -1.935 4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -10.860 -1.228 6.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -9.521 -1.444 5.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -10.068 0.122 6.255 1.00 0.00 H new ATOM 315 N ILE A 403 -7.823 -2.163 -0.353 1.00 0.00 N ATOM 316 CA ILE A 403 -7.429 -1.529 -1.617 1.00 0.00 C ATOM 317 C ILE A 403 -6.016 -0.910 -1.550 1.00 0.00 C ATOM 318 O ILE A 403 -5.669 -0.005 -2.311 1.00 0.00 O ATOM 319 CB ILE A 403 -8.508 -0.515 -2.104 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.333 -0.211 -3.593 1.00 0.00 C ATOM 321 CG2 ILE A 403 -8.485 0.774 -1.296 1.00 0.00 C ATOM 322 CD1 ILE A 403 -9.513 0.512 -4.207 1.00 0.00 C ATOM 0 H ILE A 403 -8.195 -3.105 -0.476 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.371 -2.316 -2.369 1.00 0.00 H new ATOM 0 HB ILE A 403 -9.480 -0.983 -1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -7.436 0.394 -3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -8.171 -1.146 -4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -9.253 1.451 -1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -8.678 0.549 -0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -7.507 1.246 -1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -9.318 0.694 -5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -10.409 -0.100 -4.103 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -9.663 1.463 -3.696 1.00 0.00 H new ATOM 334 N CYS A 404 -5.142 -1.569 -0.794 1.00 0.00 N ATOM 335 CA CYS A 404 -3.723 -1.232 -0.773 1.00 0.00 C ATOM 336 C CYS A 404 -2.895 -2.503 -0.643 1.00 0.00 C ATOM 337 O CYS A 404 -3.421 -3.547 -0.256 1.00 0.00 O ATOM 338 CB CYS A 404 -3.402 -0.252 0.354 1.00 0.00 C ATOM 339 SG CYS A 404 -3.861 1.473 -0.024 1.00 0.00 S ATOM 0 H CYS A 404 -5.395 -2.346 -0.183 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.469 -0.740 -1.712 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -3.923 -0.568 1.258 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -2.334 -0.296 0.569 1.00 0.00 H new ATOM 344 N SER A 405 -1.661 -2.463 -1.123 1.00 0.00 N ATOM 345 CA SER A 405 -0.851 -3.667 -1.207 1.00 0.00 C ATOM 346 C SER A 405 0.627 -3.331 -1.075 1.00 0.00 C ATOM 347 O SER A 405 1.049 -2.219 -1.394 1.00 0.00 O ATOM 348 CB SER A 405 -1.119 -4.375 -2.543 1.00 0.00 C ATOM 349 OG SER A 405 -0.565 -5.680 -2.563 1.00 0.00 O ATOM 0 H SER A 405 -1.202 -1.616 -1.458 1.00 0.00 H new ATOM 0 HA SER A 405 -1.122 -4.332 -0.387 1.00 0.00 H new ATOM 0 HB2 SER A 405 -2.194 -4.433 -2.716 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.696 -3.787 -3.358 1.00 0.00 H new ATOM 0 HG SER A 405 -0.755 -6.103 -3.426 1.00 0.00 H new ATOM 355 N TRP A 406 1.401 -4.274 -0.556 1.00 0.00 N ATOM 356 CA TRP A 406 2.825 -4.066 -0.371 1.00 0.00 C ATOM 357 C TRP A 406 3.562 -4.174 -1.702 1.00 0.00 C ATOM 358 O TRP A 406 3.496 -5.195 -2.386 1.00 0.00 O ATOM 359 CB TRP A 406 3.398 -5.078 0.623 1.00 0.00 C ATOM 360 CG TRP A 406 4.806 -4.766 1.034 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.930 -5.485 0.741 1.00 0.00 C ATOM 362 CD2 TRP A 406 5.239 -3.658 1.833 1.00 0.00 C ATOM 363 NE1 TRP A 406 7.033 -4.882 1.288 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.634 -3.765 1.972 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.583 -2.586 2.444 1.00 0.00 C ATOM 366 CZ2 TRP A 406 7.384 -2.841 2.693 1.00 0.00 C ATOM 367 CZ3 TRP A 406 5.330 -1.673 3.163 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.715 -1.806 3.281 1.00 0.00 C ATOM 0 H TRP A 406 1.064 -5.189 -0.257 1.00 0.00 H new ATOM 0 HA TRP A 406 2.967 -3.063 0.031 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.765 -5.106 1.510 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.368 -6.073 0.178 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.947 -6.397 0.162 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.994 -5.212 1.200 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.513 -2.473 2.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 8.456 -2.939 2.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.834 -0.842 3.642 1.00 0.00 H new ATOM 0 HH2 TRP A 406 7.269 -1.074 3.850 1.00 0.00 H new ATOM 379 N HIS A 407 4.280 -3.124 -2.038 1.00 0.00 N ATOM 380 CA HIS A 407 5.090 -3.074 -3.243 1.00 0.00 C ATOM 381 C HIS A 407 6.497 -3.546 -2.897 1.00 0.00 C ATOM 382 O HIS A 407 7.270 -2.796 -2.308 1.00 0.00 O ATOM 383 CB HIS A 407 5.117 -1.628 -3.751 1.00 0.00 C ATOM 384 CG HIS A 407 5.382 -1.448 -5.210 1.00 0.00 C ATOM 385 ND1 HIS A 407 6.493 -1.945 -5.847 1.00 0.00 N ATOM 386 CD2 HIS A 407 4.689 -0.758 -6.150 1.00 0.00 C ATOM 387 CE1 HIS A 407 6.475 -1.570 -7.109 1.00 0.00 C ATOM 388 NE2 HIS A 407 5.393 -0.853 -7.319 1.00 0.00 N ATOM 0 H HIS A 407 4.320 -2.272 -1.479 1.00 0.00 H new ATOM 0 HA HIS A 407 4.679 -3.717 -4.021 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.159 -1.164 -3.517 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.879 -1.083 -3.194 1.00 0.00 H new ATOM 0 HD1 HIS A 407 7.218 -2.515 -5.411 1.00 0.00 H new ATOM 0 HD2 HIS A 407 3.757 -0.233 -6.003 1.00 0.00 H new ATOM 0 HE1 HIS A 407 7.224 -1.811 -7.849 1.00 0.00 H new ATOM 397 N LYS A 408 6.757 -4.833 -3.090 1.00 0.00 N ATOM 398 CA LYS A 408 8.009 -5.434 -2.639 1.00 0.00 C ATOM 399 C LYS A 408 9.205 -4.860 -3.392 1.00 0.00 C ATOM 400 O LYS A 408 9.961 -4.056 -2.845 1.00 0.00 O ATOM 401 CB LYS A 408 7.958 -6.953 -2.806 1.00 0.00 C ATOM 402 CG LYS A 408 6.806 -7.605 -2.056 1.00 0.00 C ATOM 403 CD LYS A 408 6.815 -9.114 -2.224 1.00 0.00 C ATOM 404 CE LYS A 408 5.608 -9.760 -1.561 1.00 0.00 C ATOM 405 NZ LYS A 408 5.597 -9.559 -0.088 1.00 0.00 N ATOM 0 H LYS A 408 6.120 -5.481 -3.554 1.00 0.00 H new ATOM 0 HA LYS A 408 8.133 -5.196 -1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 408 7.873 -7.192 -3.866 1.00 0.00 H new ATOM 0 HB3 LYS A 408 8.898 -7.381 -2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 408 6.872 -7.355 -0.997 1.00 0.00 H new ATOM 0 HG3 LYS A 408 5.860 -7.203 -2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 408 6.824 -9.362 -3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 408 7.729 -9.523 -1.794 1.00 0.00 H new ATOM 0 HE2 LYS A 408 4.696 -9.344 -1.989 1.00 0.00 H new ATOM 0 HE3 LYS A 408 5.605 -10.828 -1.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 4.825 -10.114 0.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 6.505 -9.871 0.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 5.454 -8.551 0.124 1.00 0.00 H new ATOM 419 N GLU A 409 9.319 -5.195 -4.668 1.00 0.00 N ATOM 420 CA GLU A 409 10.366 -4.632 -5.506 1.00 0.00 C ATOM 421 C GLU A 409 9.931 -3.253 -5.982 1.00 0.00 C ATOM 422 O GLU A 409 8.884 -3.124 -6.608 1.00 0.00 O ATOM 423 CB GLU A 409 10.635 -5.545 -6.706 1.00 0.00 C ATOM 424 CG GLU A 409 11.821 -5.116 -7.557 1.00 0.00 C ATOM 425 CD GLU A 409 13.151 -5.384 -6.884 1.00 0.00 C ATOM 426 OE1 GLU A 409 13.395 -4.833 -5.791 1.00 0.00 O ATOM 427 OE2 GLU A 409 13.962 -6.150 -7.447 1.00 0.00 O ATOM 0 H GLU A 409 8.701 -5.852 -5.145 1.00 0.00 H new ATOM 0 HA GLU A 409 11.287 -4.546 -4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 409 10.807 -6.559 -6.346 1.00 0.00 H new ATOM 0 HB3 GLU A 409 9.744 -5.576 -7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 409 11.788 -5.643 -8.510 1.00 0.00 H new ATOM 0 HG3 GLU A 409 11.738 -4.052 -7.778 1.00 0.00 H new ATOM 434 N VAL A 410 10.675 -2.220 -5.618 1.00 0.00 N ATOM 435 CA VAL A 410 10.288 -0.858 -5.964 1.00 0.00 C ATOM 436 C VAL A 410 11.344 -0.168 -6.814 1.00 0.00 C ATOM 437 O VAL A 410 12.547 -0.294 -6.565 1.00 0.00 O ATOM 438 CB VAL A 410 10.006 0.009 -4.713 1.00 0.00 C ATOM 439 CG1 VAL A 410 8.778 -0.488 -3.979 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.204 0.036 -3.775 1.00 0.00 C ATOM 0 H VAL A 410 11.543 -2.295 -5.088 1.00 0.00 H new ATOM 0 HA VAL A 410 9.368 -0.952 -6.540 1.00 0.00 H new ATOM 0 HB VAL A 410 9.821 1.027 -5.056 1.00 0.00 H new ATOM 0 HG11 VAL A 410 8.600 0.137 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 410 7.914 -0.440 -4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 410 8.936 -1.519 -3.663 1.00 0.00 H new ATOM 0 HG21 VAL A 410 10.973 0.653 -2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.433 -0.978 -3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.066 0.452 -4.297 1.00 0.00 H new ATOM 450 N LYS A 411 10.881 0.633 -7.760 1.00 0.00 N ATOM 451 CA LYS A 411 11.765 1.469 -8.552 1.00 0.00 C ATOM 452 C LYS A 411 12.228 2.648 -7.701 1.00 0.00 C ATOM 453 O LYS A 411 11.513 3.064 -6.788 1.00 0.00 O ATOM 454 CB LYS A 411 11.041 1.969 -9.805 1.00 0.00 C ATOM 455 CG LYS A 411 11.922 2.775 -10.748 1.00 0.00 C ATOM 456 CD LYS A 411 11.131 3.315 -11.930 1.00 0.00 C ATOM 457 CE LYS A 411 10.496 2.197 -12.742 1.00 0.00 C ATOM 458 NZ LYS A 411 9.855 2.710 -13.980 1.00 0.00 N ATOM 0 H LYS A 411 9.893 0.721 -7.998 1.00 0.00 H new ATOM 0 HA LYS A 411 12.631 0.887 -8.869 1.00 0.00 H new ATOM 0 HB2 LYS A 411 10.637 1.113 -10.345 1.00 0.00 H new ATOM 0 HB3 LYS A 411 10.193 2.584 -9.502 1.00 0.00 H new ATOM 0 HG2 LYS A 411 12.375 3.604 -10.204 1.00 0.00 H new ATOM 0 HG3 LYS A 411 12.737 2.148 -11.111 1.00 0.00 H new ATOM 0 HD2 LYS A 411 10.354 3.989 -11.570 1.00 0.00 H new ATOM 0 HD3 LYS A 411 11.790 3.901 -12.571 1.00 0.00 H new ATOM 0 HE2 LYS A 411 11.256 1.461 -13.004 1.00 0.00 H new ATOM 0 HE3 LYS A 411 9.752 1.683 -12.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 9.433 1.918 -14.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 9.112 3.393 -13.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 10.570 3.178 -14.573 1.00 0.00 H new ATOM 472 N ALA A 412 13.440 3.128 -7.952 1.00 0.00 N ATOM 473 CA ALA A 412 14.016 4.229 -7.184 1.00 0.00 C ATOM 474 C ALA A 412 13.181 5.502 -7.313 1.00 0.00 C ATOM 475 O ALA A 412 13.436 6.343 -8.180 1.00 0.00 O ATOM 476 CB ALA A 412 15.442 4.495 -7.640 1.00 0.00 C ATOM 0 H ALA A 412 14.049 2.769 -8.688 1.00 0.00 H new ATOM 0 HA ALA A 412 14.019 3.936 -6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 412 15.862 5.318 -7.061 1.00 0.00 H new ATOM 0 HB2 ALA A 412 16.045 3.600 -7.489 1.00 0.00 H new ATOM 0 HB3 ALA A 412 15.443 4.759 -8.698 1.00 0.00 H new ATOM 482 N GLY A 413 12.146 5.606 -6.491 1.00 0.00 N ATOM 483 CA GLY A 413 11.254 6.743 -6.559 1.00 0.00 C ATOM 484 C GLY A 413 9.854 6.407 -6.094 1.00 0.00 C ATOM 485 O GLY A 413 9.110 7.288 -5.661 1.00 0.00 O ATOM 0 H GLY A 413 11.909 4.919 -5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 413 11.653 7.551 -5.946 1.00 0.00 H new ATOM 0 HA3 GLY A 413 11.215 7.110 -7.585 1.00 0.00 H new ATOM 489 N GLU A 414 9.471 5.147 -6.266 1.00 0.00 N ATOM 490 CA GLU A 414 8.119 4.696 -5.944 1.00 0.00 C ATOM 491 C GLU A 414 7.877 4.631 -4.433 1.00 0.00 C ATOM 492 O GLU A 414 8.400 5.441 -3.664 1.00 0.00 O ATOM 493 CB GLU A 414 7.867 3.323 -6.565 1.00 0.00 C ATOM 494 CG GLU A 414 7.932 3.310 -8.081 1.00 0.00 C ATOM 495 CD GLU A 414 7.546 1.967 -8.659 1.00 0.00 C ATOM 496 OE1 GLU A 414 8.209 0.961 -8.333 1.00 0.00 O ATOM 497 OE2 GLU A 414 6.573 1.912 -9.442 1.00 0.00 O ATOM 0 H GLU A 414 10.081 4.414 -6.629 1.00 0.00 H new ATOM 0 HA GLU A 414 7.424 5.426 -6.359 1.00 0.00 H new ATOM 0 HB2 GLU A 414 8.601 2.619 -6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 414 6.886 2.968 -6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 414 7.268 4.078 -8.478 1.00 0.00 H new ATOM 0 HG3 GLU A 414 8.942 3.565 -8.402 1.00 0.00 H new ATOM 504 N LYS A 415 7.053 3.676 -4.023 1.00 0.00 N ATOM 505 CA LYS A 415 6.690 3.502 -2.624 1.00 0.00 C ATOM 506 C LYS A 415 6.311 2.048 -2.382 1.00 0.00 C ATOM 507 O LYS A 415 5.699 1.419 -3.242 1.00 0.00 O ATOM 508 CB LYS A 415 5.508 4.415 -2.265 1.00 0.00 C ATOM 509 CG LYS A 415 5.841 5.505 -1.254 1.00 0.00 C ATOM 510 CD LYS A 415 6.098 4.926 0.126 1.00 0.00 C ATOM 511 CE LYS A 415 6.312 6.016 1.164 1.00 0.00 C ATOM 512 NZ LYS A 415 7.508 6.849 0.871 1.00 0.00 N ATOM 0 H LYS A 415 6.618 3.000 -4.651 1.00 0.00 H new ATOM 0 HA LYS A 415 7.540 3.769 -1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 415 5.136 4.883 -3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 415 4.699 3.802 -1.868 1.00 0.00 H new ATOM 0 HG2 LYS A 415 6.720 6.056 -1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 415 5.019 6.218 -1.203 1.00 0.00 H new ATOM 0 HD2 LYS A 415 5.254 4.303 0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 415 6.975 4.280 0.092 1.00 0.00 H new ATOM 0 HE2 LYS A 415 5.429 6.654 1.205 1.00 0.00 H new ATOM 0 HE3 LYS A 415 6.422 5.561 2.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 7.671 7.511 1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 8.339 6.235 0.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 7.351 7.385 -0.006 1.00 0.00 H new ATOM 526 N ASN A 416 6.739 1.493 -1.259 1.00 0.00 N ATOM 527 CA ASN A 416 6.444 0.102 -0.955 1.00 0.00 C ATOM 528 C ASN A 416 4.988 -0.040 -0.524 1.00 0.00 C ATOM 529 O ASN A 416 4.179 -0.628 -1.229 1.00 0.00 O ATOM 530 CB ASN A 416 7.372 -0.447 0.136 1.00 0.00 C ATOM 531 CG ASN A 416 8.825 -0.530 -0.295 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.496 0.487 -0.477 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.319 -1.744 -0.471 1.00 0.00 N ATOM 0 H ASN A 416 7.287 1.979 -0.549 1.00 0.00 H new ATOM 0 HA ASN A 416 6.613 -0.481 -1.860 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.298 0.188 1.019 1.00 0.00 H new ATOM 0 HB3 ASN A 416 7.030 -1.440 0.428 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.288 -1.862 -0.768 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.731 -2.562 -0.310 1.00 0.00 H new ATOM 540 N CYS A 417 4.608 0.609 0.560 1.00 0.00 N ATOM 541 CA CYS A 417 3.206 0.619 0.934 1.00 0.00 C ATOM 542 C CYS A 417 2.497 1.742 0.195 1.00 0.00 C ATOM 543 O CYS A 417 2.842 2.911 0.364 1.00 0.00 O ATOM 544 CB CYS A 417 3.031 0.786 2.440 1.00 0.00 C ATOM 545 SG CYS A 417 1.321 0.509 2.999 1.00 0.00 S ATOM 0 H CYS A 417 5.231 1.123 1.183 1.00 0.00 H new ATOM 0 HA CYS A 417 2.767 -0.340 0.657 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.692 0.089 2.955 1.00 0.00 H new ATOM 0 HB3 CYS A 417 3.341 1.791 2.726 1.00 0.00 H new ATOM 550 N GLN A 418 1.568 1.385 -0.684 1.00 0.00 N ATOM 551 CA GLN A 418 0.903 2.376 -1.516 1.00 0.00 C ATOM 552 C GLN A 418 -0.431 1.874 -2.048 1.00 0.00 C ATOM 553 O GLN A 418 -0.777 0.697 -1.912 1.00 0.00 O ATOM 554 CB GLN A 418 1.807 2.815 -2.681 1.00 0.00 C ATOM 555 CG GLN A 418 2.651 1.703 -3.293 1.00 0.00 C ATOM 556 CD GLN A 418 1.844 0.630 -3.997 1.00 0.00 C ATOM 557 OE1 GLN A 418 1.950 -0.595 -3.511 1.00 0.00 O flip ATOM 558 NE2 GLN A 418 1.139 0.896 -4.968 1.00 0.00 N flip ATOM 0 H GLN A 418 1.261 0.424 -0.837 1.00 0.00 H new ATOM 0 HA GLN A 418 0.704 3.239 -0.880 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.183 3.249 -3.462 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.472 3.604 -2.329 1.00 0.00 H new ATOM 0 HG2 GLN A 418 3.350 2.142 -4.004 1.00 0.00 H new ATOM 0 HG3 GLN A 418 3.246 1.238 -2.507 1.00 0.00 H new ATOM 0 HE21 GLN A 418 1.085 1.855 -5.312 1.00 0.00 H new ATOM 0 HE22 GLN A 418 0.608 0.158 -5.430 1.00 0.00 H new ATOM 567 N PHE A 419 -1.179 2.804 -2.621 1.00 0.00 N ATOM 568 CA PHE A 419 -2.484 2.525 -3.193 1.00 0.00 C ATOM 569 C PHE A 419 -2.333 1.725 -4.480 1.00 0.00 C ATOM 570 O PHE A 419 -1.626 2.148 -5.394 1.00 0.00 O ATOM 571 CB PHE A 419 -3.190 3.851 -3.487 1.00 0.00 C ATOM 572 CG PHE A 419 -4.665 3.724 -3.692 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.466 3.229 -2.683 1.00 0.00 C ATOM 574 CD2 PHE A 419 -5.252 4.115 -4.885 1.00 0.00 C ATOM 575 CE1 PHE A 419 -6.830 3.122 -2.856 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.618 4.012 -5.064 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.406 3.511 -4.049 1.00 0.00 C ATOM 0 H PHE A 419 -0.894 3.780 -2.702 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.073 1.940 -2.487 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -3.007 4.539 -2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.747 4.297 -4.378 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.020 2.922 -1.748 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.636 4.504 -5.682 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.447 2.734 -2.059 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -7.067 4.323 -5.996 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.473 3.423 -4.187 1.00 0.00 H new ATOM 587 N ASN A 420 -3.031 0.600 -4.579 1.00 0.00 N ATOM 588 CA ASN A 420 -2.959 -0.221 -5.783 1.00 0.00 C ATOM 589 C ASN A 420 -4.030 0.183 -6.793 1.00 0.00 C ATOM 590 O ASN A 420 -4.399 -0.600 -7.664 1.00 0.00 O ATOM 591 CB ASN A 420 -3.078 -1.716 -5.449 1.00 0.00 C ATOM 592 CG ASN A 420 -4.389 -2.103 -4.783 1.00 0.00 C ATOM 593 OD1 ASN A 420 -5.477 -1.846 -5.300 1.00 0.00 O ATOM 594 ND2 ASN A 420 -4.290 -2.765 -3.642 1.00 0.00 N ATOM 0 H ASN A 420 -3.646 0.238 -3.850 1.00 0.00 H new ATOM 0 HA ASN A 420 -1.981 -0.049 -6.233 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -2.966 -2.292 -6.368 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -2.254 -1.997 -4.794 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -5.132 -3.081 -3.161 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -3.372 -2.960 -3.243 1.00 0.00 H new ATOM 601 N SER A 421 -4.472 1.431 -6.703 1.00 0.00 N ATOM 602 CA SER A 421 -5.482 1.987 -7.600 1.00 0.00 C ATOM 603 C SER A 421 -6.683 1.045 -7.750 1.00 0.00 C ATOM 604 O SER A 421 -7.339 0.712 -6.766 1.00 0.00 O ATOM 605 CB SER A 421 -4.864 2.355 -8.961 1.00 0.00 C ATOM 606 OG SER A 421 -4.288 1.231 -9.606 1.00 0.00 O ATOM 0 H SER A 421 -4.139 2.092 -6.001 1.00 0.00 H new ATOM 0 HA SER A 421 -5.859 2.907 -7.152 1.00 0.00 H new ATOM 0 HB2 SER A 421 -5.632 2.787 -9.603 1.00 0.00 H new ATOM 0 HB3 SER A 421 -4.101 3.120 -8.817 1.00 0.00 H new ATOM 0 HG SER A 421 -4.586 0.410 -9.161 1.00 0.00 H new ATOM 612 N THR A 422 -6.990 0.650 -8.977 1.00 0.00 N ATOM 613 CA THR A 422 -8.141 -0.198 -9.238 1.00 0.00 C ATOM 614 C THR A 422 -7.762 -1.675 -9.376 1.00 0.00 C ATOM 615 O THR A 422 -8.442 -2.435 -10.067 1.00 0.00 O ATOM 616 CB THR A 422 -8.872 0.275 -10.507 1.00 0.00 C ATOM 617 OG1 THR A 422 -7.921 0.808 -11.445 1.00 0.00 O ATOM 618 CG2 THR A 422 -9.911 1.335 -10.173 1.00 0.00 C ATOM 0 H THR A 422 -6.456 0.904 -9.808 1.00 0.00 H new ATOM 0 HA THR A 422 -8.803 -0.111 -8.376 1.00 0.00 H new ATOM 0 HB THR A 422 -9.383 -0.581 -10.948 1.00 0.00 H new ATOM 0 HG1 THR A 422 -8.390 1.106 -12.252 1.00 0.00 H new ATOM 0 HG21 THR A 422 -10.413 1.653 -11.087 1.00 0.00 H new ATOM 0 HG22 THR A 422 -10.644 0.921 -9.481 1.00 0.00 H new ATOM 0 HG23 THR A 422 -9.421 2.192 -9.712 1.00 0.00 H new ATOM 626 N LYS A 423 -6.733 -2.106 -8.652 1.00 0.00 N ATOM 627 CA LYS A 423 -6.351 -3.518 -8.643 1.00 0.00 C ATOM 628 C LYS A 423 -7.217 -4.303 -7.664 1.00 0.00 C ATOM 629 O LYS A 423 -7.784 -5.343 -8.009 1.00 0.00 O ATOM 630 CB LYS A 423 -4.873 -3.695 -8.274 1.00 0.00 C ATOM 631 CG LYS A 423 -3.919 -3.660 -9.460 1.00 0.00 C ATOM 632 CD LYS A 423 -3.866 -2.288 -10.109 1.00 0.00 C ATOM 633 CE LYS A 423 -2.800 -2.225 -11.188 1.00 0.00 C ATOM 634 NZ LYS A 423 -2.713 -0.877 -11.805 1.00 0.00 N ATOM 0 H LYS A 423 -6.152 -1.505 -8.068 1.00 0.00 H new ATOM 0 HA LYS A 423 -6.506 -3.903 -9.651 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -4.590 -2.910 -7.573 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -4.752 -4.646 -7.754 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -2.920 -3.943 -9.130 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -4.232 -4.398 -10.198 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -4.838 -2.051 -10.542 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -3.662 -1.533 -9.350 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -1.834 -2.491 -10.759 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -3.020 -2.963 -11.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -1.974 -0.877 -12.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -3.627 -0.633 -12.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -2.477 -0.175 -11.074 1.00 0.00 H new ATOM 648 N ALA A 424 -7.296 -3.812 -6.436 1.00 0.00 N ATOM 649 CA ALA A 424 -8.070 -4.473 -5.398 1.00 0.00 C ATOM 650 C ALA A 424 -9.550 -4.155 -5.534 1.00 0.00 C ATOM 651 O ALA A 424 -9.925 -3.060 -5.955 1.00 0.00 O ATOM 652 CB ALA A 424 -7.570 -4.077 -4.021 1.00 0.00 C ATOM 0 H ALA A 424 -6.832 -2.955 -6.134 1.00 0.00 H new ATOM 0 HA ALA A 424 -7.940 -5.548 -5.519 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -8.163 -4.583 -3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -6.524 -4.365 -3.917 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -7.663 -2.998 -3.896 1.00 0.00 H new