USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=15 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 405 SER OG : rot 180:sc= 0.235 USER MOD Set 1.2: A 420 ASN : amide:sc= -1.08! C(o=-0.85!,f=-8.9!) USER MOD Single : A 383 LYS NZ :NH3+ 170:sc= 0.012 (180deg=-0.153) USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 390 ASN : amide:sc= -3.2! K(o=-3.2!,f=-0.68) USER MOD Single : A 391 LYS NZ :NH3+ -176:sc= 1.28 (180deg=1.23) USER MOD Single : A 393 THR OG1 : rot -41:sc= 0.708 USER MOD Single : A 397 LYS NZ :NH3+ 158:sc= 1.23 (180deg=1.11) USER MOD Single : A 399 SER OG : rot -31:sc= 1.18 USER MOD Single : A 402 LYS NZ :NH3+ -153:sc= 0.893 (180deg=0.247) USER MOD Single : A 407 HIS : no HE2:sc= 0.217 K(o=1.3,f=-8.2!) USER MOD Single : A 408 LYS NZ :NH3+ -141:sc= -0.909 (180deg=-2.92!) USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 415 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0333) USER MOD Single : A 416 ASN : amide:sc= -0.441 K(o=-0.44,f=-1.7) USER MOD Single : A 418 GLN : amide:sc= -5.77! K(o=-5.8!,f=-1.5) USER MOD Single : A 421 SER OG : rot 180:sc= 0 USER MOD Single : A 422 THR OG1 : rot -37:sc= 0.961 USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 426 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 SER OG : rot -44:sc= 0.14 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 382 -7.515 15.471 4.784 1.00 0.00 N ATOM 2 CA GLY A 382 -7.414 14.992 3.386 1.00 0.00 C ATOM 3 C GLY A 382 -8.026 13.620 3.204 1.00 0.00 C ATOM 4 O GLY A 382 -8.892 13.435 2.348 1.00 0.00 O ATOM 0 HA2 GLY A 382 -7.913 15.701 2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -6.366 14.962 3.089 1.00 0.00 H new ATOM 10 N LYS A 383 -7.589 12.661 4.024 1.00 0.00 N ATOM 11 CA LYS A 383 -8.100 11.292 3.969 1.00 0.00 C ATOM 12 C LYS A 383 -7.908 10.715 2.565 1.00 0.00 C ATOM 13 O LYS A 383 -8.838 10.181 1.955 1.00 0.00 O ATOM 14 CB LYS A 383 -9.578 11.257 4.376 1.00 0.00 C ATOM 15 CG LYS A 383 -10.108 9.857 4.648 1.00 0.00 C ATOM 16 CD LYS A 383 -11.617 9.859 4.838 1.00 0.00 C ATOM 17 CE LYS A 383 -12.340 10.335 3.585 1.00 0.00 C ATOM 18 NZ LYS A 383 -12.052 9.471 2.406 1.00 0.00 N ATOM 0 H LYS A 383 -6.877 12.811 4.739 1.00 0.00 H new ATOM 0 HA LYS A 383 -7.540 10.677 4.673 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.713 11.866 5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.174 11.713 3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -9.846 9.200 3.819 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.629 9.452 5.539 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.953 8.854 5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.878 10.505 5.677 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -13.414 10.348 3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -12.043 11.360 3.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.689 9.726 1.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -11.066 9.609 2.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -12.200 8.474 2.662 1.00 0.00 H new ATOM 32 N SER A 384 -6.707 10.883 2.035 1.00 0.00 N ATOM 33 CA SER A 384 -6.394 10.418 0.699 1.00 0.00 C ATOM 34 C SER A 384 -5.880 8.983 0.755 1.00 0.00 C ATOM 35 O SER A 384 -4.910 8.696 1.457 1.00 0.00 O ATOM 36 CB SER A 384 -5.351 11.337 0.058 1.00 0.00 C ATOM 37 OG SER A 384 -5.270 11.132 -1.341 1.00 0.00 O ATOM 0 H SER A 384 -5.932 11.340 2.515 1.00 0.00 H new ATOM 0 HA SER A 384 -7.298 10.440 0.090 1.00 0.00 H new ATOM 0 HB2 SER A 384 -5.607 12.377 0.260 1.00 0.00 H new ATOM 0 HB3 SER A 384 -4.376 11.155 0.511 1.00 0.00 H new ATOM 0 HG SER A 384 -4.597 11.734 -1.721 1.00 0.00 H new ATOM 43 N PRO A 385 -6.540 8.058 0.038 1.00 0.00 N ATOM 44 CA PRO A 385 -6.168 6.640 0.035 1.00 0.00 C ATOM 45 C PRO A 385 -4.713 6.419 -0.369 1.00 0.00 C ATOM 46 O PRO A 385 -3.988 5.682 0.296 1.00 0.00 O ATOM 47 CB PRO A 385 -7.119 6.003 -0.991 1.00 0.00 C ATOM 48 CG PRO A 385 -7.733 7.142 -1.733 1.00 0.00 C ATOM 49 CD PRO A 385 -7.721 8.313 -0.795 1.00 0.00 C ATOM 0 HA PRO A 385 -6.255 6.203 1.030 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.579 5.341 -1.667 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.882 5.401 -0.497 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -7.169 7.364 -2.639 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -8.750 6.902 -2.041 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -7.640 9.259 -1.331 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -8.632 8.362 -0.199 1.00 0.00 H new ATOM 57 N GLU A 386 -4.272 7.110 -1.420 1.00 0.00 N ATOM 58 CA GLU A 386 -2.890 7.008 -1.876 1.00 0.00 C ATOM 59 C GLU A 386 -1.924 7.415 -0.771 1.00 0.00 C ATOM 60 O GLU A 386 -0.993 6.674 -0.444 1.00 0.00 O ATOM 61 CB GLU A 386 -2.658 7.884 -3.108 1.00 0.00 C ATOM 62 CG GLU A 386 -1.215 7.874 -3.587 1.00 0.00 C ATOM 63 CD GLU A 386 -0.966 8.836 -4.728 1.00 0.00 C ATOM 64 OE1 GLU A 386 -1.557 8.647 -5.811 1.00 0.00 O ATOM 65 OE2 GLU A 386 -0.169 9.781 -4.548 1.00 0.00 O ATOM 0 H GLU A 386 -4.852 7.744 -1.969 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.705 5.967 -2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -3.305 7.542 -3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -2.951 8.908 -2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -0.559 8.129 -2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.950 6.866 -3.904 1.00 0.00 H new ATOM 72 N ALA A 387 -2.165 8.581 -0.187 1.00 0.00 N ATOM 73 CA ALA A 387 -1.320 9.094 0.879 1.00 0.00 C ATOM 74 C ALA A 387 -1.310 8.151 2.074 1.00 0.00 C ATOM 75 O ALA A 387 -0.249 7.840 2.616 1.00 0.00 O ATOM 76 CB ALA A 387 -1.783 10.480 1.293 1.00 0.00 C ATOM 0 H ALA A 387 -2.943 9.191 -0.436 1.00 0.00 H new ATOM 0 HA ALA A 387 -0.299 9.163 0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -1.143 10.854 2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -1.726 11.153 0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -2.813 10.429 1.647 1.00 0.00 H new ATOM 82 N GLU A 388 -2.491 7.670 2.454 1.00 0.00 N ATOM 83 CA GLU A 388 -2.623 6.748 3.577 1.00 0.00 C ATOM 84 C GLU A 388 -1.852 5.457 3.330 1.00 0.00 C ATOM 85 O GLU A 388 -1.119 4.998 4.207 1.00 0.00 O ATOM 86 CB GLU A 388 -4.096 6.442 3.861 1.00 0.00 C ATOM 87 CG GLU A 388 -4.865 7.637 4.402 1.00 0.00 C ATOM 88 CD GLU A 388 -4.175 8.273 5.591 1.00 0.00 C ATOM 89 OE1 GLU A 388 -3.940 7.568 6.590 1.00 0.00 O ATOM 90 OE2 GLU A 388 -3.854 9.479 5.524 1.00 0.00 O ATOM 0 H GLU A 388 -3.373 7.905 1.998 1.00 0.00 H new ATOM 0 HA GLU A 388 -2.194 7.235 4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.572 6.098 2.943 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -4.158 5.624 4.578 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.981 8.379 3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -5.867 7.321 4.692 1.00 0.00 H new ATOM 97 N CYS A 389 -1.992 4.896 2.135 1.00 0.00 N ATOM 98 CA CYS A 389 -1.278 3.683 1.779 1.00 0.00 C ATOM 99 C CYS A 389 0.231 3.909 1.824 1.00 0.00 C ATOM 100 O CYS A 389 0.968 3.109 2.389 1.00 0.00 O ATOM 101 CB CYS A 389 -1.693 3.214 0.384 1.00 0.00 C ATOM 102 SG CYS A 389 -3.427 2.672 0.256 1.00 0.00 S ATOM 0 H CYS A 389 -2.594 5.264 1.398 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.535 2.912 2.505 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.526 4.026 -0.323 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -1.045 2.391 0.083 1.00 0.00 H new ATOM 107 N ASN A 390 0.679 5.021 1.255 1.00 0.00 N ATOM 108 CA ASN A 390 2.106 5.343 1.214 1.00 0.00 C ATOM 109 C ASN A 390 2.705 5.445 2.617 1.00 0.00 C ATOM 110 O ASN A 390 3.890 5.172 2.813 1.00 0.00 O ATOM 111 CB ASN A 390 2.344 6.644 0.445 1.00 0.00 C ATOM 112 CG ASN A 390 2.153 6.501 -1.061 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.154 7.493 -1.789 1.00 0.00 O ATOM 114 ND2 ASN A 390 2.026 5.273 -1.548 1.00 0.00 N ATOM 0 H ASN A 390 0.077 5.717 0.815 1.00 0.00 H new ATOM 0 HA ASN A 390 2.607 4.526 0.695 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.663 7.408 0.819 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.357 6.995 0.644 1.00 0.00 H new ATOM 0 HD21 ASN A 390 1.925 5.131 -2.553 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.029 4.471 -0.917 1.00 0.00 H new ATOM 121 N LYS A 391 1.891 5.869 3.581 1.00 0.00 N ATOM 122 CA LYS A 391 2.338 6.021 4.964 1.00 0.00 C ATOM 123 C LYS A 391 2.718 4.677 5.582 1.00 0.00 C ATOM 124 O LYS A 391 3.632 4.599 6.405 1.00 0.00 O ATOM 125 CB LYS A 391 1.247 6.680 5.808 1.00 0.00 C ATOM 126 CG LYS A 391 0.954 8.117 5.423 1.00 0.00 C ATOM 127 CD LYS A 391 -0.224 8.666 6.208 1.00 0.00 C ATOM 128 CE LYS A 391 -0.530 10.105 5.835 1.00 0.00 C ATOM 129 NZ LYS A 391 -1.674 10.643 6.617 1.00 0.00 N ATOM 0 H LYS A 391 0.913 6.115 3.429 1.00 0.00 H new ATOM 0 HA LYS A 391 3.224 6.656 4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 391 0.331 6.097 5.719 1.00 0.00 H new ATOM 0 HB3 LYS A 391 1.544 6.649 6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 391 1.835 8.732 5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 391 0.742 8.174 4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 391 -1.103 8.048 6.024 1.00 0.00 H new ATOM 0 HD3 LYS A 391 -0.010 8.605 7.275 1.00 0.00 H new ATOM 0 HE2 LYS A 391 0.352 10.722 6.009 1.00 0.00 H new ATOM 0 HE3 LYS A 391 -0.756 10.165 4.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -1.898 11.604 6.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 -2.504 10.030 6.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -1.422 10.672 7.626 1.00 0.00 H new ATOM 143 N ILE A 392 1.998 3.628 5.203 1.00 0.00 N ATOM 144 CA ILE A 392 2.261 2.293 5.724 1.00 0.00 C ATOM 145 C ILE A 392 3.625 1.797 5.242 1.00 0.00 C ATOM 146 O ILE A 392 4.030 2.081 4.117 1.00 0.00 O ATOM 147 CB ILE A 392 1.167 1.292 5.295 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.228 1.861 5.585 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.353 -0.041 6.004 1.00 0.00 C ATOM 150 CD1 ILE A 392 -0.482 2.156 7.050 1.00 0.00 C ATOM 0 H ILE A 392 1.227 3.676 4.537 1.00 0.00 H new ATOM 0 HA ILE A 392 2.258 2.358 6.812 1.00 0.00 H new ATOM 0 HB ILE A 392 1.257 1.127 4.221 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.361 2.779 5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -0.978 1.153 5.232 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.572 -0.733 5.688 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.329 -0.455 5.750 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.291 0.108 7.082 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -1.489 2.555 7.172 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -0.383 1.238 7.629 1.00 0.00 H new ATOM 0 HD13 ILE A 392 0.243 2.888 7.405 1.00 0.00 H new ATOM 162 N THR A 393 4.373 1.154 6.126 1.00 0.00 N ATOM 163 CA THR A 393 5.728 0.744 5.803 1.00 0.00 C ATOM 164 C THR A 393 5.989 -0.702 6.231 1.00 0.00 C ATOM 165 O THR A 393 7.138 -1.128 6.364 1.00 0.00 O ATOM 166 CB THR A 393 6.755 1.689 6.469 1.00 0.00 C ATOM 167 OG1 THR A 393 8.079 1.398 6.006 1.00 0.00 O ATOM 168 CG2 THR A 393 6.709 1.574 7.988 1.00 0.00 C ATOM 0 H THR A 393 4.066 0.907 7.067 1.00 0.00 H new ATOM 0 HA THR A 393 5.842 0.804 4.721 1.00 0.00 H new ATOM 0 HB THR A 393 6.491 2.709 6.191 1.00 0.00 H new ATOM 0 HG1 THR A 393 8.197 0.427 5.942 1.00 0.00 H new ATOM 0 HG21 THR A 393 7.442 2.251 8.426 1.00 0.00 H new ATOM 0 HG22 THR A 393 5.713 1.839 8.343 1.00 0.00 H new ATOM 0 HG23 THR A 393 6.939 0.550 8.282 1.00 0.00 H new ATOM 176 N GLU A 394 4.922 -1.484 6.328 1.00 0.00 N ATOM 177 CA GLU A 394 5.040 -2.904 6.635 1.00 0.00 C ATOM 178 C GLU A 394 4.058 -3.708 5.794 1.00 0.00 C ATOM 179 O GLU A 394 2.913 -3.298 5.613 1.00 0.00 O ATOM 180 CB GLU A 394 4.803 -3.158 8.125 1.00 0.00 C ATOM 181 CG GLU A 394 5.884 -2.566 9.014 1.00 0.00 C ATOM 182 CD GLU A 394 5.717 -2.938 10.468 1.00 0.00 C ATOM 183 OE1 GLU A 394 5.703 -4.150 10.780 1.00 0.00 O ATOM 184 OE2 GLU A 394 5.611 -2.021 11.309 1.00 0.00 O ATOM 0 H GLU A 394 3.964 -1.159 6.198 1.00 0.00 H new ATOM 0 HA GLU A 394 6.053 -3.226 6.393 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.838 -2.738 8.409 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.747 -4.233 8.299 1.00 0.00 H new ATOM 0 HG2 GLU A 394 6.860 -2.906 8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 394 5.872 -1.480 8.918 1.00 0.00 H new ATOM 191 N GLU A 395 4.540 -4.813 5.230 1.00 0.00 N ATOM 192 CA GLU A 395 3.748 -5.657 4.341 1.00 0.00 C ATOM 193 C GLU A 395 2.462 -6.157 5.008 1.00 0.00 C ATOM 194 O GLU A 395 1.379 -5.953 4.464 1.00 0.00 O ATOM 195 CB GLU A 395 4.596 -6.833 3.843 1.00 0.00 C ATOM 196 CG GLU A 395 3.844 -7.806 2.951 1.00 0.00 C ATOM 197 CD GLU A 395 4.738 -8.905 2.418 1.00 0.00 C ATOM 198 OE1 GLU A 395 5.417 -9.573 3.229 1.00 0.00 O ATOM 199 OE2 GLU A 395 4.760 -9.114 1.183 1.00 0.00 O ATOM 0 H GLU A 395 5.492 -5.148 5.377 1.00 0.00 H new ATOM 0 HA GLU A 395 3.444 -5.048 3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 395 5.453 -6.442 3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 395 4.988 -7.375 4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 395 3.022 -8.250 3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 395 3.402 -7.263 2.116 1.00 0.00 H new ATOM 206 N PRO A 396 2.534 -6.786 6.204 1.00 0.00 N ATOM 207 CA PRO A 396 1.337 -7.283 6.894 1.00 0.00 C ATOM 208 C PRO A 396 0.331 -6.168 7.160 1.00 0.00 C ATOM 209 O PRO A 396 -0.855 -6.303 6.860 1.00 0.00 O ATOM 210 CB PRO A 396 1.877 -7.843 8.213 1.00 0.00 C ATOM 211 CG PRO A 396 3.318 -8.114 7.953 1.00 0.00 C ATOM 212 CD PRO A 396 3.760 -7.068 6.977 1.00 0.00 C ATOM 0 HA PRO A 396 0.802 -8.023 6.299 1.00 0.00 H new ATOM 0 HB2 PRO A 396 1.750 -7.129 9.027 1.00 0.00 H new ATOM 0 HB3 PRO A 396 1.350 -8.752 8.501 1.00 0.00 H new ATOM 0 HG2 PRO A 396 3.898 -8.060 8.874 1.00 0.00 H new ATOM 0 HG3 PRO A 396 3.460 -9.115 7.545 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.131 -6.177 7.483 1.00 0.00 H new ATOM 0 HD3 PRO A 396 4.565 -7.429 6.337 1.00 0.00 H new ATOM 220 N LYS A 397 0.829 -5.035 7.640 1.00 0.00 N ATOM 221 CA LYS A 397 -0.010 -3.873 7.892 1.00 0.00 C ATOM 222 C LYS A 397 -0.664 -3.395 6.604 1.00 0.00 C ATOM 223 O LYS A 397 -1.882 -3.236 6.535 1.00 0.00 O ATOM 224 CB LYS A 397 0.832 -2.741 8.488 1.00 0.00 C ATOM 225 CG LYS A 397 0.448 -2.345 9.909 1.00 0.00 C ATOM 226 CD LYS A 397 -0.849 -1.542 9.959 1.00 0.00 C ATOM 227 CE LYS A 397 -2.083 -2.431 9.881 1.00 0.00 C ATOM 228 NZ LYS A 397 -3.340 -1.641 9.960 1.00 0.00 N ATOM 0 H LYS A 397 1.815 -4.897 7.863 1.00 0.00 H new ATOM 0 HA LYS A 397 -0.790 -4.158 8.598 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.880 -3.042 8.479 1.00 0.00 H new ATOM 0 HB3 LYS A 397 0.746 -1.865 7.845 1.00 0.00 H new ATOM 0 HG2 LYS A 397 0.340 -3.243 10.517 1.00 0.00 H new ATOM 0 HG3 LYS A 397 1.253 -1.757 10.350 1.00 0.00 H new ATOM 0 HD2 LYS A 397 -0.879 -0.962 10.882 1.00 0.00 H new ATOM 0 HD3 LYS A 397 -0.865 -0.830 9.134 1.00 0.00 H new ATOM 0 HE2 LYS A 397 -2.066 -2.995 8.948 1.00 0.00 H new ATOM 0 HE3 LYS A 397 -2.059 -3.158 10.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 -4.120 -2.188 9.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 -3.557 -1.432 10.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 -3.223 -0.750 9.437 1.00 0.00 H new ATOM 242 N CYS A 398 0.160 -3.193 5.585 1.00 0.00 N ATOM 243 CA CYS A 398 -0.295 -2.712 4.286 1.00 0.00 C ATOM 244 C CYS A 398 -1.304 -3.668 3.659 1.00 0.00 C ATOM 245 O CYS A 398 -2.276 -3.240 3.043 1.00 0.00 O ATOM 246 CB CYS A 398 0.905 -2.536 3.352 1.00 0.00 C ATOM 247 SG CYS A 398 0.502 -1.790 1.742 1.00 0.00 S ATOM 0 H CYS A 398 1.165 -3.358 5.635 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.790 -1.752 4.435 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.650 -1.915 3.850 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.364 -3.510 3.183 1.00 0.00 H new ATOM 252 N SER A 399 -1.044 -4.962 3.790 1.00 0.00 N ATOM 253 CA SER A 399 -1.900 -5.976 3.200 1.00 0.00 C ATOM 254 C SER A 399 -3.291 -5.959 3.846 1.00 0.00 C ATOM 255 O SER A 399 -4.298 -6.200 3.180 1.00 0.00 O ATOM 256 CB SER A 399 -1.239 -7.356 3.330 1.00 0.00 C ATOM 257 OG SER A 399 -1.223 -7.816 4.674 1.00 0.00 O ATOM 0 H SER A 399 -0.244 -5.333 4.302 1.00 0.00 H new ATOM 0 HA SER A 399 -2.031 -5.756 2.141 1.00 0.00 H new ATOM 0 HB2 SER A 399 -1.774 -8.074 2.708 1.00 0.00 H new ATOM 0 HB3 SER A 399 -0.218 -7.305 2.952 1.00 0.00 H new ATOM 0 HG SER A 399 -1.165 -7.049 5.282 1.00 0.00 H new ATOM 263 N GLU A 400 -3.339 -5.620 5.133 1.00 0.00 N ATOM 264 CA GLU A 400 -4.602 -5.510 5.854 1.00 0.00 C ATOM 265 C GLU A 400 -5.330 -4.217 5.490 1.00 0.00 C ATOM 266 O GLU A 400 -6.563 -4.185 5.434 1.00 0.00 O ATOM 267 CB GLU A 400 -4.366 -5.570 7.364 1.00 0.00 C ATOM 268 CG GLU A 400 -3.830 -6.911 7.844 1.00 0.00 C ATOM 269 CD GLU A 400 -4.844 -8.036 7.723 1.00 0.00 C ATOM 270 OE1 GLU A 400 -6.028 -7.758 7.438 1.00 0.00 O ATOM 271 OE2 GLU A 400 -4.467 -9.208 7.934 1.00 0.00 O ATOM 0 H GLU A 400 -2.514 -5.417 5.698 1.00 0.00 H new ATOM 0 HA GLU A 400 -5.228 -6.353 5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.663 -4.786 7.645 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -5.303 -5.358 7.879 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -2.941 -7.168 7.268 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -3.520 -6.820 8.885 1.00 0.00 H new ATOM 278 N GLU A 401 -4.563 -3.155 5.244 1.00 0.00 N ATOM 279 CA GLU A 401 -5.135 -1.863 4.863 1.00 0.00 C ATOM 280 C GLU A 401 -5.922 -1.995 3.569 1.00 0.00 C ATOM 281 O GLU A 401 -5.465 -2.620 2.610 1.00 0.00 O ATOM 282 CB GLU A 401 -4.045 -0.803 4.689 1.00 0.00 C ATOM 283 CG GLU A 401 -3.259 -0.508 5.956 1.00 0.00 C ATOM 284 CD GLU A 401 -4.103 0.093 7.068 1.00 0.00 C ATOM 285 OE1 GLU A 401 -5.291 0.398 6.836 1.00 0.00 O ATOM 286 OE2 GLU A 401 -3.578 0.260 8.191 1.00 0.00 O ATOM 0 H GLU A 401 -3.545 -3.163 5.302 1.00 0.00 H new ATOM 0 HA GLU A 401 -5.802 -1.547 5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.353 -1.132 3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.504 0.120 4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -2.804 -1.431 6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -2.445 0.177 5.718 1.00 0.00 H new ATOM 293 N LYS A 402 -7.125 -1.452 3.568 1.00 0.00 N ATOM 294 CA LYS A 402 -8.008 -1.563 2.422 1.00 0.00 C ATOM 295 C LYS A 402 -7.498 -0.726 1.256 1.00 0.00 C ATOM 296 O LYS A 402 -7.099 0.422 1.437 1.00 0.00 O ATOM 297 CB LYS A 402 -9.429 -1.150 2.814 1.00 0.00 C ATOM 298 CG LYS A 402 -9.987 -1.963 3.975 1.00 0.00 C ATOM 299 CD LYS A 402 -10.125 -3.436 3.611 1.00 0.00 C ATOM 300 CE LYS A 402 -10.457 -4.291 4.823 1.00 0.00 C ATOM 301 NZ LYS A 402 -9.337 -4.328 5.806 1.00 0.00 N ATOM 0 H LYS A 402 -7.514 -0.928 4.351 1.00 0.00 H new ATOM 0 HA LYS A 402 -8.026 -2.603 2.096 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.433 -0.094 3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -10.085 -1.262 1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -9.332 -1.861 4.840 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -10.960 -1.566 4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -10.906 -3.553 2.860 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -9.196 -3.788 3.162 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -11.352 -3.900 5.308 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -10.688 -5.306 4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -9.379 -5.215 6.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -8.430 -4.274 5.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -9.419 -3.521 6.457 1.00 0.00 H new ATOM 315 N ILE A 403 -7.475 -1.355 0.078 1.00 0.00 N ATOM 316 CA ILE A 403 -7.017 -0.760 -1.181 1.00 0.00 C ATOM 317 C ILE A 403 -5.553 -0.286 -1.121 1.00 0.00 C ATOM 318 O ILE A 403 -5.031 0.286 -2.086 1.00 0.00 O ATOM 319 CB ILE A 403 -7.975 0.364 -1.658 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.034 0.384 -3.188 1.00 0.00 C ATOM 321 CG2 ILE A 403 -7.567 1.736 -1.126 1.00 0.00 C ATOM 322 CD1 ILE A 403 -9.156 1.233 -3.744 1.00 0.00 C ATOM 0 H ILE A 403 -7.784 -2.321 -0.030 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.044 -1.553 -1.929 1.00 0.00 H new ATOM 0 HB ILE A 403 -8.964 0.145 -1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -7.085 0.755 -3.574 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -8.149 -0.637 -3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -8.267 2.489 -1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -7.579 1.722 -0.036 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -6.563 1.978 -1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -9.133 1.198 -4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -10.113 0.850 -3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -9.031 2.264 -3.412 1.00 0.00 H new ATOM 334 N CYS A 404 -4.834 -0.751 -0.108 1.00 0.00 N ATOM 335 CA CYS A 404 -3.393 -0.568 -0.047 1.00 0.00 C ATOM 336 C CYS A 404 -2.704 -1.876 -0.409 1.00 0.00 C ATOM 337 O CYS A 404 -3.243 -2.954 -0.153 1.00 0.00 O ATOM 338 CB CYS A 404 -2.962 -0.115 1.349 1.00 0.00 C ATOM 339 SG CYS A 404 -3.680 1.476 1.873 1.00 0.00 S ATOM 0 H CYS A 404 -5.228 -1.259 0.684 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.105 0.206 -0.758 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -3.242 -0.882 2.070 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -1.875 -0.036 1.374 1.00 0.00 H new ATOM 344 N SER A 405 -1.568 -1.791 -1.085 1.00 0.00 N ATOM 345 CA SER A 405 -0.867 -2.983 -1.539 1.00 0.00 C ATOM 346 C SER A 405 0.644 -2.808 -1.438 1.00 0.00 C ATOM 347 O SER A 405 1.147 -1.684 -1.427 1.00 0.00 O ATOM 348 CB SER A 405 -1.275 -3.318 -2.973 1.00 0.00 C ATOM 349 OG SER A 405 -2.653 -3.650 -3.040 1.00 0.00 O ATOM 0 H SER A 405 -1.113 -0.912 -1.331 1.00 0.00 H new ATOM 0 HA SER A 405 -1.148 -3.812 -0.889 1.00 0.00 H new ATOM 0 HB2 SER A 405 -1.069 -2.467 -3.623 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.677 -4.152 -3.341 1.00 0.00 H new ATOM 0 HG SER A 405 -2.894 -3.860 -3.966 1.00 0.00 H new ATOM 355 N TRP A 406 1.345 -3.919 -1.234 1.00 0.00 N ATOM 356 CA TRP A 406 2.785 -3.892 -1.024 1.00 0.00 C ATOM 357 C TRP A 406 3.533 -3.742 -2.351 1.00 0.00 C ATOM 358 O TRP A 406 2.929 -3.515 -3.398 1.00 0.00 O ATOM 359 CB TRP A 406 3.237 -5.156 -0.286 1.00 0.00 C ATOM 360 CG TRP A 406 4.547 -4.997 0.423 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.653 -5.782 0.295 1.00 0.00 C ATOM 362 CD2 TRP A 406 4.884 -3.986 1.377 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.657 -5.321 1.107 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.209 -4.219 1.782 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.191 -2.906 1.924 1.00 0.00 C ATOM 366 CZ2 TRP A 406 6.855 -3.413 2.712 1.00 0.00 C ATOM 367 CZ3 TRP A 406 4.834 -2.106 2.848 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.154 -2.360 3.232 1.00 0.00 C ATOM 0 H TRP A 406 0.935 -4.853 -1.210 1.00 0.00 H new ATOM 0 HA TRP A 406 3.024 -3.025 -0.408 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.473 -5.437 0.438 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.316 -5.976 -1.000 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.728 -6.643 -0.353 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.586 -5.733 1.194 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.172 -2.700 1.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 7.873 -3.611 3.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.307 -1.269 3.282 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.630 -1.712 3.953 1.00 0.00 H new ATOM 379 N HIS A 407 4.853 -3.706 -2.262 1.00 0.00 N ATOM 380 CA HIS A 407 5.701 -3.388 -3.401 1.00 0.00 C ATOM 381 C HIS A 407 7.129 -3.816 -3.073 1.00 0.00 C ATOM 382 O HIS A 407 7.971 -2.975 -2.777 1.00 0.00 O ATOM 383 CB HIS A 407 5.641 -1.874 -3.644 1.00 0.00 C ATOM 384 CG HIS A 407 5.916 -1.407 -5.039 1.00 0.00 C ATOM 385 ND1 HIS A 407 7.107 -1.604 -5.683 1.00 0.00 N ATOM 386 CD2 HIS A 407 5.158 -0.664 -5.883 1.00 0.00 C ATOM 387 CE1 HIS A 407 7.083 -1.001 -6.852 1.00 0.00 C ATOM 388 NE2 HIS A 407 5.912 -0.419 -7.004 1.00 0.00 N ATOM 0 H HIS A 407 5.366 -3.896 -1.401 1.00 0.00 H new ATOM 0 HA HIS A 407 5.366 -3.909 -4.298 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.650 -1.522 -3.356 1.00 0.00 H new ATOM 0 HB3 HIS A 407 6.356 -1.393 -2.977 1.00 0.00 H new ATOM 0 HD1 HIS A 407 7.894 -2.137 -5.313 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.147 -0.327 -5.706 1.00 0.00 H new ATOM 0 HE1 HIS A 407 7.891 -0.986 -7.569 1.00 0.00 H new ATOM 397 N LYS A 408 7.318 -5.128 -2.908 1.00 0.00 N ATOM 398 CA LYS A 408 8.581 -5.689 -2.402 1.00 0.00 C ATOM 399 C LYS A 408 9.798 -5.089 -3.107 1.00 0.00 C ATOM 400 O LYS A 408 10.617 -4.413 -2.481 1.00 0.00 O ATOM 401 CB LYS A 408 8.592 -7.208 -2.585 1.00 0.00 C ATOM 402 CG LYS A 408 7.498 -7.931 -1.819 1.00 0.00 C ATOM 403 CD LYS A 408 7.470 -9.425 -2.129 1.00 0.00 C ATOM 404 CE LYS A 408 8.529 -10.198 -1.351 1.00 0.00 C ATOM 405 NZ LYS A 408 9.912 -9.940 -1.833 1.00 0.00 N ATOM 0 H LYS A 408 6.608 -5.829 -3.119 1.00 0.00 H new ATOM 0 HA LYS A 408 8.644 -5.438 -1.343 1.00 0.00 H new ATOM 0 HB2 LYS A 408 8.490 -7.436 -3.646 1.00 0.00 H new ATOM 0 HB3 LYS A 408 9.560 -7.595 -2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 408 7.649 -7.786 -0.749 1.00 0.00 H new ATOM 0 HG3 LYS A 408 6.532 -7.492 -2.067 1.00 0.00 H new ATOM 0 HD2 LYS A 408 6.484 -9.825 -1.891 1.00 0.00 H new ATOM 0 HD3 LYS A 408 7.626 -9.575 -3.197 1.00 0.00 H new ATOM 0 HE2 LYS A 408 8.463 -9.932 -0.296 1.00 0.00 H new ATOM 0 HE3 LYS A 408 8.318 -11.265 -1.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 10.457 -10.826 -1.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 9.878 -9.575 -2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 10.370 -9.239 -1.216 1.00 0.00 H new ATOM 419 N GLU A 409 9.848 -5.241 -4.423 1.00 0.00 N ATOM 420 CA GLU A 409 10.877 -4.596 -5.221 1.00 0.00 C ATOM 421 C GLU A 409 10.488 -3.142 -5.425 1.00 0.00 C ATOM 422 O GLU A 409 9.317 -2.856 -5.641 1.00 0.00 O ATOM 423 CB GLU A 409 11.021 -5.298 -6.571 1.00 0.00 C ATOM 424 CG GLU A 409 12.103 -4.702 -7.452 1.00 0.00 C ATOM 425 CD GLU A 409 12.078 -5.242 -8.865 1.00 0.00 C ATOM 426 OE1 GLU A 409 11.197 -6.073 -9.181 1.00 0.00 O ATOM 427 OE2 GLU A 409 12.935 -4.826 -9.672 1.00 0.00 O ATOM 0 H GLU A 409 9.188 -5.805 -4.959 1.00 0.00 H new ATOM 0 HA GLU A 409 11.835 -4.656 -4.705 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.241 -6.352 -6.402 1.00 0.00 H new ATOM 0 HB3 GLU A 409 10.068 -5.252 -7.099 1.00 0.00 H new ATOM 0 HG2 GLU A 409 11.985 -3.619 -7.481 1.00 0.00 H new ATOM 0 HG3 GLU A 409 13.078 -4.905 -7.008 1.00 0.00 H new ATOM 434 N VAL A 410 11.425 -2.217 -5.280 1.00 0.00 N ATOM 435 CA VAL A 410 11.084 -0.805 -5.380 1.00 0.00 C ATOM 436 C VAL A 410 12.016 -0.032 -6.300 1.00 0.00 C ATOM 437 O VAL A 410 13.235 -0.021 -6.121 1.00 0.00 O ATOM 438 CB VAL A 410 11.063 -0.111 -4.000 1.00 0.00 C ATOM 439 CG1 VAL A 410 9.815 -0.490 -3.225 1.00 0.00 C ATOM 440 CG2 VAL A 410 12.309 -0.448 -3.195 1.00 0.00 C ATOM 0 H VAL A 410 12.409 -2.412 -5.096 1.00 0.00 H new ATOM 0 HA VAL A 410 10.082 -0.790 -5.809 1.00 0.00 H new ATOM 0 HB VAL A 410 11.051 0.965 -4.172 1.00 0.00 H new ATOM 0 HG11 VAL A 410 9.822 0.010 -2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.932 -0.184 -3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 410 9.793 -1.569 -3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 410 12.265 0.055 -2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 410 12.362 -1.526 -3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 410 13.194 -0.115 -3.738 1.00 0.00 H new ATOM 450 N LYS A 411 11.405 0.741 -7.180 1.00 0.00 N ATOM 451 CA LYS A 411 12.117 1.706 -7.997 1.00 0.00 C ATOM 452 C LYS A 411 12.387 2.949 -7.157 1.00 0.00 C ATOM 453 O LYS A 411 11.575 3.291 -6.295 1.00 0.00 O ATOM 454 CB LYS A 411 11.269 2.070 -9.220 1.00 0.00 C ATOM 455 CG LYS A 411 11.864 3.164 -10.091 1.00 0.00 C ATOM 456 CD LYS A 411 10.864 3.650 -11.125 1.00 0.00 C ATOM 457 CE LYS A 411 11.429 4.793 -11.950 1.00 0.00 C ATOM 458 NZ LYS A 411 10.386 5.435 -12.792 1.00 0.00 N ATOM 0 H LYS A 411 10.399 0.717 -7.348 1.00 0.00 H new ATOM 0 HA LYS A 411 13.061 1.283 -8.341 1.00 0.00 H new ATOM 0 HB2 LYS A 411 11.126 1.176 -9.827 1.00 0.00 H new ATOM 0 HB3 LYS A 411 10.282 2.387 -8.882 1.00 0.00 H new ATOM 0 HG2 LYS A 411 12.179 3.999 -9.465 1.00 0.00 H new ATOM 0 HG3 LYS A 411 12.756 2.788 -10.593 1.00 0.00 H new ATOM 0 HD2 LYS A 411 10.590 2.826 -11.783 1.00 0.00 H new ATOM 0 HD3 LYS A 411 9.952 3.976 -10.626 1.00 0.00 H new ATOM 0 HE2 LYS A 411 11.869 5.537 -11.286 1.00 0.00 H new ATOM 0 HE3 LYS A 411 12.231 4.420 -12.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 10.811 6.210 -13.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 9.983 4.731 -13.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 9.633 5.814 -12.183 1.00 0.00 H new ATOM 472 N ALA A 412 13.497 3.630 -7.405 1.00 0.00 N ATOM 473 CA ALA A 412 13.794 4.862 -6.691 1.00 0.00 C ATOM 474 C ALA A 412 12.728 5.908 -7.000 1.00 0.00 C ATOM 475 O ALA A 412 12.618 6.376 -8.135 1.00 0.00 O ATOM 476 CB ALA A 412 15.178 5.374 -7.063 1.00 0.00 C ATOM 0 H ALA A 412 14.201 3.353 -8.089 1.00 0.00 H new ATOM 0 HA ALA A 412 13.787 4.662 -5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 412 15.383 6.296 -6.519 1.00 0.00 H new ATOM 0 HB2 ALA A 412 15.925 4.625 -6.802 1.00 0.00 H new ATOM 0 HB3 ALA A 412 15.218 5.568 -8.135 1.00 0.00 H new ATOM 482 N GLY A 413 11.868 6.167 -6.024 1.00 0.00 N ATOM 483 CA GLY A 413 10.742 7.048 -6.240 1.00 0.00 C ATOM 484 C GLY A 413 9.440 6.412 -5.796 1.00 0.00 C ATOM 485 O GLY A 413 8.495 7.102 -5.411 1.00 0.00 O ATOM 0 H GLY A 413 11.933 5.779 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 413 10.898 7.978 -5.694 1.00 0.00 H new ATOM 0 HA3 GLY A 413 10.679 7.306 -7.297 1.00 0.00 H new ATOM 489 N GLU A 414 9.392 5.085 -5.857 1.00 0.00 N ATOM 490 CA GLU A 414 8.208 4.331 -5.460 1.00 0.00 C ATOM 491 C GLU A 414 8.043 4.298 -3.946 1.00 0.00 C ATOM 492 O GLU A 414 8.903 4.770 -3.201 1.00 0.00 O ATOM 493 CB GLU A 414 8.282 2.893 -5.983 1.00 0.00 C ATOM 494 CG GLU A 414 8.020 2.755 -7.473 1.00 0.00 C ATOM 495 CD GLU A 414 6.565 2.983 -7.827 1.00 0.00 C ATOM 496 OE1 GLU A 414 6.096 4.138 -7.736 1.00 0.00 O ATOM 497 OE2 GLU A 414 5.872 2.004 -8.171 1.00 0.00 O ATOM 0 H GLU A 414 10.167 4.506 -6.181 1.00 0.00 H new ATOM 0 HA GLU A 414 7.347 4.839 -5.895 1.00 0.00 H new ATOM 0 HB2 GLU A 414 9.269 2.488 -5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 414 7.559 2.284 -5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 414 8.639 3.469 -8.016 1.00 0.00 H new ATOM 0 HG3 GLU A 414 8.319 1.760 -7.801 1.00 0.00 H new ATOM 504 N LYS A 415 7.000 3.612 -3.510 1.00 0.00 N ATOM 505 CA LYS A 415 6.754 3.364 -2.098 1.00 0.00 C ATOM 506 C LYS A 415 6.356 1.911 -1.915 1.00 0.00 C ATOM 507 O LYS A 415 5.709 1.334 -2.793 1.00 0.00 O ATOM 508 CB LYS A 415 5.650 4.286 -1.564 1.00 0.00 C ATOM 509 CG LYS A 415 6.112 5.715 -1.327 1.00 0.00 C ATOM 510 CD LYS A 415 7.176 5.771 -0.242 1.00 0.00 C ATOM 511 CE LYS A 415 7.765 7.166 -0.092 1.00 0.00 C ATOM 512 NZ LYS A 415 6.746 8.172 0.310 1.00 0.00 N ATOM 0 H LYS A 415 6.296 3.209 -4.128 1.00 0.00 H new ATOM 0 HA LYS A 415 7.664 3.572 -1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 415 4.821 4.294 -2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 415 5.267 3.877 -0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 415 6.510 6.131 -2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 415 5.261 6.333 -1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 415 6.742 5.457 0.707 1.00 0.00 H new ATOM 0 HD3 LYS A 415 7.972 5.065 -0.478 1.00 0.00 H new ATOM 0 HE2 LYS A 415 8.562 7.143 0.652 1.00 0.00 H new ATOM 0 HE3 LYS A 415 8.218 7.469 -1.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 7.208 9.091 0.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 6.034 8.265 -0.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 6.283 7.865 1.189 1.00 0.00 H new ATOM 526 N ASN A 416 6.836 1.285 -0.846 1.00 0.00 N ATOM 527 CA ASN A 416 6.576 -0.135 -0.632 1.00 0.00 C ATOM 528 C ASN A 416 5.089 -0.380 -0.434 1.00 0.00 C ATOM 529 O ASN A 416 4.502 -1.214 -1.104 1.00 0.00 O ATOM 530 CB ASN A 416 7.356 -0.684 0.563 1.00 0.00 C ATOM 531 CG ASN A 416 8.845 -0.794 0.306 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.525 0.204 0.065 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.363 -2.010 0.362 1.00 0.00 N ATOM 0 H ASN A 416 7.400 1.731 -0.122 1.00 0.00 H new ATOM 0 HA ASN A 416 6.914 -0.663 -1.524 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.190 -0.038 1.425 1.00 0.00 H new ATOM 0 HB3 ASN A 416 6.965 -1.668 0.822 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.361 -2.147 0.202 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.764 -2.811 0.565 1.00 0.00 H new ATOM 540 N CYS A 417 4.445 0.442 0.364 1.00 0.00 N ATOM 541 CA CYS A 417 3.000 0.390 0.439 1.00 0.00 C ATOM 542 C CYS A 417 2.432 1.514 -0.401 1.00 0.00 C ATOM 543 O CYS A 417 2.845 2.668 -0.268 1.00 0.00 O ATOM 544 CB CYS A 417 2.510 0.492 1.880 1.00 0.00 C ATOM 545 SG CYS A 417 0.719 0.197 2.074 1.00 0.00 S ATOM 0 H CYS A 417 4.887 1.142 0.960 1.00 0.00 H new ATOM 0 HA CYS A 417 2.657 -0.571 0.055 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.055 -0.228 2.491 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.749 1.483 2.266 1.00 0.00 H new ATOM 550 N GLN A 418 1.600 1.166 -1.362 1.00 0.00 N ATOM 551 CA GLN A 418 1.106 2.149 -2.305 1.00 0.00 C ATOM 552 C GLN A 418 -0.366 1.926 -2.591 1.00 0.00 C ATOM 553 O GLN A 418 -0.889 0.823 -2.403 1.00 0.00 O ATOM 554 CB GLN A 418 1.916 2.114 -3.614 1.00 0.00 C ATOM 555 CG GLN A 418 1.415 1.110 -4.651 1.00 0.00 C ATOM 556 CD GLN A 418 1.793 -0.328 -4.350 1.00 0.00 C ATOM 557 OE1 GLN A 418 1.270 -1.261 -4.964 1.00 0.00 O ATOM 558 NE2 GLN A 418 2.731 -0.521 -3.441 1.00 0.00 N ATOM 0 H GLN A 418 1.254 0.218 -1.510 1.00 0.00 H new ATOM 0 HA GLN A 418 1.227 3.134 -1.854 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.905 3.109 -4.058 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.954 1.882 -3.376 1.00 0.00 H new ATOM 0 HG2 GLN A 418 0.330 1.183 -4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 418 1.814 1.383 -5.628 1.00 0.00 H new ATOM 0 HE21 GLN A 418 3.140 0.276 -2.954 1.00 0.00 H new ATOM 0 HE22 GLN A 418 3.046 -1.467 -3.226 1.00 0.00 H new ATOM 567 N PHE A 419 -1.014 2.968 -3.083 1.00 0.00 N ATOM 568 CA PHE A 419 -2.400 2.879 -3.493 1.00 0.00 C ATOM 569 C PHE A 419 -2.490 2.013 -4.741 1.00 0.00 C ATOM 570 O PHE A 419 -1.917 2.353 -5.774 1.00 0.00 O ATOM 571 CB PHE A 419 -2.939 4.277 -3.782 1.00 0.00 C ATOM 572 CG PHE A 419 -4.390 4.305 -4.152 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.341 3.780 -3.298 1.00 0.00 C ATOM 574 CD2 PHE A 419 -4.801 4.861 -5.353 1.00 0.00 C ATOM 575 CE1 PHE A 419 -6.679 3.805 -3.636 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.138 4.886 -5.696 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.078 4.356 -4.836 1.00 0.00 C ATOM 0 H PHE A 419 -0.597 3.890 -3.208 1.00 0.00 H new ATOM 0 HA PHE A 419 -2.996 2.432 -2.698 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -2.786 4.903 -2.903 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.359 4.719 -4.592 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.035 3.346 -2.358 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.068 5.279 -6.027 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.414 3.393 -2.961 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -6.448 5.319 -6.635 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.125 4.373 -5.102 1.00 0.00 H new ATOM 587 N ASN A 420 -3.115 0.849 -4.622 1.00 0.00 N ATOM 588 CA ASN A 420 -3.147 -0.089 -5.738 1.00 0.00 C ATOM 589 C ASN A 420 -4.123 0.369 -6.818 1.00 0.00 C ATOM 590 O ASN A 420 -4.073 -0.114 -7.950 1.00 0.00 O ATOM 591 CB ASN A 420 -3.468 -1.514 -5.271 1.00 0.00 C ATOM 592 CG ASN A 420 -4.905 -1.730 -4.813 1.00 0.00 C ATOM 593 OD1 ASN A 420 -5.863 -1.452 -5.536 1.00 0.00 O ATOM 594 ND2 ASN A 420 -5.059 -2.293 -3.630 1.00 0.00 N ATOM 0 H ASN A 420 -3.599 0.535 -3.781 1.00 0.00 H new ATOM 0 HA ASN A 420 -2.149 -0.106 -6.175 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -3.254 -2.205 -6.086 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -2.798 -1.772 -4.451 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -5.994 -2.512 -3.287 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -4.243 -2.509 -3.058 1.00 0.00 H new ATOM 601 N SER A 421 -4.984 1.315 -6.452 1.00 0.00 N ATOM 602 CA SER A 421 -5.961 1.914 -7.364 1.00 0.00 C ATOM 603 C SER A 421 -7.072 0.934 -7.745 1.00 0.00 C ATOM 604 O SER A 421 -8.246 1.192 -7.478 1.00 0.00 O ATOM 605 CB SER A 421 -5.269 2.460 -8.621 1.00 0.00 C ATOM 606 OG SER A 421 -6.194 3.087 -9.498 1.00 0.00 O ATOM 0 H SER A 421 -5.025 1.693 -5.505 1.00 0.00 H new ATOM 0 HA SER A 421 -6.429 2.743 -6.832 1.00 0.00 H new ATOM 0 HB2 SER A 421 -4.499 3.175 -8.331 1.00 0.00 H new ATOM 0 HB3 SER A 421 -4.767 1.646 -9.143 1.00 0.00 H new ATOM 0 HG SER A 421 -5.720 3.425 -10.287 1.00 0.00 H new ATOM 612 N THR A 422 -6.717 -0.175 -8.381 1.00 0.00 N ATOM 613 CA THR A 422 -7.713 -1.127 -8.834 1.00 0.00 C ATOM 614 C THR A 422 -7.154 -2.550 -8.868 1.00 0.00 C ATOM 615 O THR A 422 -7.736 -3.436 -9.489 1.00 0.00 O ATOM 616 CB THR A 422 -8.253 -0.730 -10.231 1.00 0.00 C ATOM 617 OG1 THR A 422 -9.306 -1.613 -10.638 1.00 0.00 O ATOM 618 CG2 THR A 422 -7.143 -0.740 -11.274 1.00 0.00 C ATOM 0 H THR A 422 -5.753 -0.433 -8.592 1.00 0.00 H new ATOM 0 HA THR A 422 -8.536 -1.106 -8.119 1.00 0.00 H new ATOM 0 HB THR A 422 -8.648 0.283 -10.154 1.00 0.00 H new ATOM 0 HG1 THR A 422 -9.104 -2.524 -10.338 1.00 0.00 H new ATOM 0 HG21 THR A 422 -7.552 -0.457 -12.244 1.00 0.00 H new ATOM 0 HG22 THR A 422 -6.367 -0.030 -10.987 1.00 0.00 H new ATOM 0 HG23 THR A 422 -6.714 -1.740 -11.339 1.00 0.00 H new ATOM 626 N LYS A 423 -6.165 -2.812 -8.023 1.00 0.00 N ATOM 627 CA LYS A 423 -5.721 -4.183 -7.812 1.00 0.00 C ATOM 628 C LYS A 423 -6.737 -4.892 -6.939 1.00 0.00 C ATOM 629 O LYS A 423 -7.014 -6.077 -7.129 1.00 0.00 O ATOM 630 CB LYS A 423 -4.341 -4.237 -7.158 1.00 0.00 C ATOM 631 CG LYS A 423 -3.208 -3.766 -8.057 1.00 0.00 C ATOM 632 CD LYS A 423 -2.975 -4.731 -9.207 1.00 0.00 C ATOM 633 CE LYS A 423 -1.811 -4.291 -10.079 1.00 0.00 C ATOM 634 NZ LYS A 423 -1.583 -5.229 -11.209 1.00 0.00 N ATOM 0 H LYS A 423 -5.663 -2.108 -7.482 1.00 0.00 H new ATOM 0 HA LYS A 423 -5.640 -4.677 -8.780 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -4.354 -3.624 -6.257 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -4.139 -5.261 -6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -3.442 -2.777 -8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -2.294 -3.668 -7.472 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -2.778 -5.728 -8.812 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -3.878 -4.801 -9.813 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -2.006 -3.292 -10.469 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -0.907 -4.225 -9.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -0.781 -4.895 -11.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -1.372 -6.177 -10.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -2.437 -5.273 -11.802 1.00 0.00 H new ATOM 648 N ALA A 424 -7.344 -4.122 -6.034 1.00 0.00 N ATOM 649 CA ALA A 424 -8.422 -4.613 -5.189 1.00 0.00 C ATOM 650 C ALA A 424 -9.636 -4.954 -6.045 1.00 0.00 C ATOM 651 O ALA A 424 -10.455 -4.087 -6.360 1.00 0.00 O ATOM 652 CB ALA A 424 -8.781 -3.582 -4.128 1.00 0.00 C ATOM 0 H ALA A 424 -7.100 -3.145 -5.870 1.00 0.00 H new ATOM 0 HA ALA A 424 -8.089 -5.517 -4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -9.589 -3.967 -3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -7.909 -3.381 -3.506 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -9.103 -2.660 -4.611 1.00 0.00 H new ATOM 658 N SER A 425 -9.665 -6.187 -6.517 1.00 0.00 N ATOM 659 CA SER A 425 -10.674 -6.641 -7.454 1.00 0.00 C ATOM 660 C SER A 425 -10.543 -8.149 -7.642 1.00 0.00 C ATOM 661 O SER A 425 -11.531 -8.880 -7.570 1.00 0.00 O ATOM 662 CB SER A 425 -10.502 -5.916 -8.795 1.00 0.00 C ATOM 663 OG SER A 425 -11.607 -6.132 -9.655 1.00 0.00 O ATOM 0 H SER A 425 -8.986 -6.904 -6.260 1.00 0.00 H new ATOM 0 HA SER A 425 -11.667 -6.416 -7.064 1.00 0.00 H new ATOM 0 HB2 SER A 425 -10.383 -4.847 -8.618 1.00 0.00 H new ATOM 0 HB3 SER A 425 -9.590 -6.262 -9.281 1.00 0.00 H new ATOM 0 HG SER A 425 -11.463 -5.654 -10.498 1.00 0.00 H new ATOM 669 N LYS A 426 -9.300 -8.609 -7.792 1.00 0.00 N ATOM 670 CA LYS A 426 -8.996 -10.034 -7.902 1.00 0.00 C ATOM 671 C LYS A 426 -7.486 -10.251 -7.940 1.00 0.00 C ATOM 672 O LYS A 426 -6.757 -9.491 -8.585 1.00 0.00 O ATOM 673 CB LYS A 426 -9.651 -10.649 -9.147 1.00 0.00 C ATOM 674 CG LYS A 426 -9.281 -9.961 -10.450 1.00 0.00 C ATOM 675 CD LYS A 426 -9.980 -10.604 -11.639 1.00 0.00 C ATOM 676 CE LYS A 426 -11.493 -10.473 -11.536 1.00 0.00 C ATOM 677 NZ LYS A 426 -12.196 -11.201 -12.625 1.00 0.00 N ATOM 0 H LYS A 426 -8.479 -8.006 -7.840 1.00 0.00 H new ATOM 0 HA LYS A 426 -9.406 -10.533 -7.024 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -9.368 -11.700 -9.211 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -10.734 -10.617 -9.027 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -9.551 -8.906 -10.395 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -8.201 -10.007 -10.593 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -9.635 -10.136 -12.561 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -9.708 -11.658 -11.695 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -11.824 -10.858 -10.571 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -11.768 -9.419 -11.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -13.223 -11.084 -12.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -11.901 -10.818 -13.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -11.956 -12.212 -12.578 1.00 0.00 H new ATOM 691 N SER A 427 -7.025 -11.273 -7.226 1.00 0.00 N ATOM 692 CA SER A 427 -5.609 -11.609 -7.161 1.00 0.00 C ATOM 693 C SER A 427 -5.434 -12.906 -6.373 1.00 0.00 C ATOM 694 O SER A 427 -6.456 -13.456 -5.902 1.00 0.00 O ATOM 695 CB SER A 427 -4.811 -10.471 -6.505 1.00 0.00 C ATOM 696 OG SER A 427 -3.416 -10.606 -6.744 1.00 0.00 O ATOM 697 OXT SER A 427 -4.287 -13.382 -6.234 1.00 0.00 O ATOM 0 H SER A 427 -7.623 -11.891 -6.677 1.00 0.00 H new ATOM 0 HA SER A 427 -5.228 -11.747 -8.173 1.00 0.00 H new ATOM 0 HB2 SER A 427 -5.156 -9.513 -6.893 1.00 0.00 H new ATOM 0 HB3 SER A 427 -4.998 -10.466 -5.431 1.00 0.00 H new ATOM 0 HG SER A 427 -3.150 -11.539 -6.608 1.00 0.00 H new TER 703 SER A 427