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 420 ASN : amide:sc= -3.82! C(o=-3.7!,f=-9.5!) USER MOD Set 1.2: A 427 SER OG : rot -24:sc= 0.139 USER MOD Single : A 383 LYS NZ :NH3+ 160:sc= 0.937 (180deg=0.338) USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 390 ASN :FLIP amide:sc= -0.384 F(o=-1.4!,f=-0.38) USER MOD Single : A 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 393 THR OG1 : rot -52:sc= 0.562 USER MOD Single : A 397 LYS NZ :NH3+ 176:sc= 0.927 (180deg=0.799) USER MOD Single : A 399 SER OG : rot -22:sc= -0.13 USER MOD Single : A 402 LYS NZ :NH3+ 165:sc= -0.0522 (180deg=-0.294) USER MOD Single : A 405 SER OG : rot -160:sc= -0.425 USER MOD Single : A 407 HIS : no HD1:sc= -0.846 X(o=-0.85,f=-0.55) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 LYS NZ :NH3+ -160:sc= -0.0768 (180deg=-0.456) USER MOD Single : A 415 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 416 ASN : amide:sc= -1.33 K(o=-1.3,f=-3.8!) USER MOD Single : A 418 GLN : amide:sc= -5.35! C(o=-5.4!,f=-5.2!) USER MOD Single : A 421 SER OG : rot 180:sc= 0 USER MOD Single : A 422 THR OG1 : rot 24:sc= 0.396 USER MOD Single : A 423 LYS NZ :NH3+ -161:sc= 1.2 (180deg=0.246) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 426 LYS NZ :NH3+ -168:sc=-0.00696 (180deg=-0.136) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 382 -5.140 17.644 2.397 1.00 0.00 N ATOM 2 CA GLY A 382 -4.887 16.376 1.674 1.00 0.00 C ATOM 3 C GLY A 382 -5.665 15.221 2.270 1.00 0.00 C ATOM 4 O GLY A 382 -5.773 15.101 3.493 1.00 0.00 O ATOM 0 HA2 GLY A 382 -5.160 16.495 0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -3.821 16.149 1.702 1.00 0.00 H new ATOM 10 N LYS A 383 -6.230 14.384 1.412 1.00 0.00 N ATOM 11 CA LYS A 383 -7.026 13.248 1.850 1.00 0.00 C ATOM 12 C LYS A 383 -7.061 12.191 0.750 1.00 0.00 C ATOM 13 O LYS A 383 -8.114 11.635 0.427 1.00 0.00 O ATOM 14 CB LYS A 383 -8.450 13.699 2.192 1.00 0.00 C ATOM 15 CG LYS A 383 -9.223 12.704 3.044 1.00 0.00 C ATOM 16 CD LYS A 383 -10.723 12.901 2.919 1.00 0.00 C ATOM 17 CE LYS A 383 -11.205 12.585 1.510 1.00 0.00 C ATOM 18 NZ LYS A 383 -10.854 11.198 1.095 1.00 0.00 N ATOM 0 H LYS A 383 -6.150 14.473 0.399 1.00 0.00 H new ATOM 0 HA LYS A 383 -6.573 12.820 2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.402 14.653 2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -8.998 13.873 1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -8.963 11.689 2.743 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -8.928 12.813 4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.237 12.259 3.634 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -10.979 13.930 3.172 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -12.286 12.715 1.459 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -10.765 13.295 0.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.466 10.906 0.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -9.860 11.168 0.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -10.991 10.551 1.897 1.00 0.00 H new ATOM 32 N SER A 384 -5.909 11.961 0.137 1.00 0.00 N ATOM 33 CA SER A 384 -5.798 10.996 -0.944 1.00 0.00 C ATOM 34 C SER A 384 -5.616 9.584 -0.387 1.00 0.00 C ATOM 35 O SER A 384 -4.817 9.368 0.528 1.00 0.00 O ATOM 36 CB SER A 384 -4.629 11.372 -1.855 1.00 0.00 C ATOM 37 OG SER A 384 -4.757 12.711 -2.312 1.00 0.00 O ATOM 0 H SER A 384 -5.035 12.432 0.372 1.00 0.00 H new ATOM 0 HA SER A 384 -6.718 11.012 -1.528 1.00 0.00 H new ATOM 0 HB2 SER A 384 -3.689 11.255 -1.315 1.00 0.00 H new ATOM 0 HB3 SER A 384 -4.593 10.694 -2.707 1.00 0.00 H new ATOM 0 HG SER A 384 -3.999 12.933 -2.892 1.00 0.00 H new ATOM 43 N PRO A 385 -6.369 8.604 -0.922 1.00 0.00 N ATOM 44 CA PRO A 385 -6.303 7.209 -0.467 1.00 0.00 C ATOM 45 C PRO A 385 -4.900 6.623 -0.593 1.00 0.00 C ATOM 46 O PRO A 385 -4.439 5.886 0.285 1.00 0.00 O ATOM 47 CB PRO A 385 -7.282 6.470 -1.392 1.00 0.00 C ATOM 48 CG PRO A 385 -7.512 7.387 -2.543 1.00 0.00 C ATOM 49 CD PRO A 385 -7.355 8.778 -2.001 1.00 0.00 C ATOM 0 HA PRO A 385 -6.555 7.119 0.590 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.865 5.519 -1.725 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -8.216 6.246 -0.876 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -6.796 7.197 -3.343 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -8.507 7.242 -2.965 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -7.000 9.471 -2.764 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -8.299 9.174 -1.625 1.00 0.00 H new ATOM 57 N GLU A 386 -4.213 6.978 -1.674 1.00 0.00 N ATOM 58 CA GLU A 386 -2.854 6.513 -1.908 1.00 0.00 C ATOM 59 C GLU A 386 -1.917 7.041 -0.831 1.00 0.00 C ATOM 60 O GLU A 386 -1.133 6.289 -0.254 1.00 0.00 O ATOM 61 CB GLU A 386 -2.371 6.967 -3.286 1.00 0.00 C ATOM 62 CG GLU A 386 -1.031 6.380 -3.695 1.00 0.00 C ATOM 63 CD GLU A 386 -0.572 6.890 -5.042 1.00 0.00 C ATOM 64 OE1 GLU A 386 -1.315 6.720 -6.029 1.00 0.00 O ATOM 65 OE2 GLU A 386 0.529 7.471 -5.117 1.00 0.00 O ATOM 0 H GLU A 386 -4.579 7.589 -2.404 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.851 5.424 -1.871 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -3.119 6.693 -4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -2.297 8.054 -3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -0.283 6.626 -2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -1.107 5.293 -3.726 1.00 0.00 H new ATOM 72 N ALA A 387 -2.038 8.334 -0.541 1.00 0.00 N ATOM 73 CA ALA A 387 -1.212 8.986 0.471 1.00 0.00 C ATOM 74 C ALA A 387 -1.388 8.330 1.833 1.00 0.00 C ATOM 75 O ALA A 387 -0.421 8.162 2.578 1.00 0.00 O ATOM 76 CB ALA A 387 -1.540 10.467 0.552 1.00 0.00 C ATOM 0 H ALA A 387 -2.706 8.955 -0.997 1.00 0.00 H new ATOM 0 HA ALA A 387 -0.169 8.873 0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -0.915 10.937 1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -1.351 10.935 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -2.590 10.593 0.817 1.00 0.00 H new ATOM 82 N GLU A 388 -2.617 7.928 2.140 1.00 0.00 N ATOM 83 CA GLU A 388 -2.907 7.253 3.397 1.00 0.00 C ATOM 84 C GLU A 388 -2.076 5.982 3.542 1.00 0.00 C ATOM 85 O GLU A 388 -1.498 5.731 4.595 1.00 0.00 O ATOM 86 CB GLU A 388 -4.394 6.921 3.503 1.00 0.00 C ATOM 87 CG GLU A 388 -5.259 8.121 3.842 1.00 0.00 C ATOM 88 CD GLU A 388 -6.722 7.761 3.997 1.00 0.00 C ATOM 89 OE1 GLU A 388 -7.030 6.784 4.711 1.00 0.00 O ATOM 90 OE2 GLU A 388 -7.578 8.461 3.419 1.00 0.00 O ATOM 0 H GLU A 388 -3.427 8.059 1.534 1.00 0.00 H new ATOM 0 HA GLU A 388 -2.641 7.933 4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.731 6.495 2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -4.534 6.155 4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.900 8.573 4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -5.155 8.872 3.059 1.00 0.00 H new ATOM 97 N CYS A 389 -2.015 5.188 2.484 1.00 0.00 N ATOM 98 CA CYS A 389 -1.257 3.946 2.509 1.00 0.00 C ATOM 99 C CYS A 389 0.252 4.197 2.385 1.00 0.00 C ATOM 100 O CYS A 389 1.058 3.368 2.791 1.00 0.00 O ATOM 101 CB CYS A 389 -1.762 3.023 1.407 1.00 0.00 C ATOM 102 SG CYS A 389 -3.495 2.513 1.654 1.00 0.00 S ATOM 0 H CYS A 389 -2.481 5.381 1.598 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.411 3.463 3.474 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.670 3.528 0.445 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -1.130 2.136 1.363 1.00 0.00 H new ATOM 107 N ASN A 390 0.628 5.351 1.843 1.00 0.00 N ATOM 108 CA ASN A 390 2.042 5.697 1.651 1.00 0.00 C ATOM 109 C ASN A 390 2.836 5.686 2.963 1.00 0.00 C ATOM 110 O ASN A 390 4.025 5.365 2.965 1.00 0.00 O ATOM 111 CB ASN A 390 2.173 7.067 0.977 1.00 0.00 C ATOM 112 CG ASN A 390 1.976 7.015 -0.530 1.00 0.00 C ATOM 113 OD1 ASN A 390 1.958 5.818 -1.100 1.00 0.00 O flip ATOM 114 ND2 ASN A 390 1.865 8.051 -1.186 1.00 0.00 N flip ATOM 0 H ASN A 390 -0.025 6.068 1.526 1.00 0.00 H new ATOM 0 HA ASN A 390 2.467 4.928 1.006 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.441 7.749 1.409 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.159 7.479 1.194 1.00 0.00 H new ATOM 0 HD21 ASN A 390 1.883 8.956 -0.716 1.00 0.00 H new ATOM 0 HD22 ASN A 390 1.755 8.004 -2.199 1.00 0.00 H new ATOM 121 N LYS A 391 2.194 6.065 4.068 1.00 0.00 N ATOM 122 CA LYS A 391 2.879 6.114 5.363 1.00 0.00 C ATOM 123 C LYS A 391 3.289 4.716 5.824 1.00 0.00 C ATOM 124 O LYS A 391 4.297 4.552 6.514 1.00 0.00 O ATOM 125 CB LYS A 391 2.013 6.812 6.429 1.00 0.00 C ATOM 126 CG LYS A 391 0.681 6.136 6.717 1.00 0.00 C ATOM 127 CD LYS A 391 0.760 5.165 7.889 1.00 0.00 C ATOM 128 CE LYS A 391 0.877 5.887 9.221 1.00 0.00 C ATOM 129 NZ LYS A 391 0.907 4.938 10.364 1.00 0.00 N ATOM 0 H LYS A 391 1.212 6.340 4.095 1.00 0.00 H new ATOM 0 HA LYS A 391 3.786 6.704 5.232 1.00 0.00 H new ATOM 0 HB2 LYS A 391 2.582 6.870 7.357 1.00 0.00 H new ATOM 0 HB3 LYS A 391 1.822 7.836 6.107 1.00 0.00 H new ATOM 0 HG2 LYS A 391 -0.070 6.897 6.930 1.00 0.00 H new ATOM 0 HG3 LYS A 391 0.349 5.600 5.827 1.00 0.00 H new ATOM 0 HD2 LYS A 391 -0.128 4.533 7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 391 1.619 4.507 7.757 1.00 0.00 H new ATOM 0 HE2 LYS A 391 1.783 6.492 9.228 1.00 0.00 H new ATOM 0 HE3 LYS A 391 0.036 6.571 9.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 0.987 5.469 11.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 0.031 4.378 10.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 1.724 4.302 10.266 1.00 0.00 H new ATOM 143 N ILE A 392 2.514 3.715 5.426 1.00 0.00 N ATOM 144 CA ILE A 392 2.804 2.330 5.760 1.00 0.00 C ATOM 145 C ILE A 392 4.147 1.905 5.167 1.00 0.00 C ATOM 146 O ILE A 392 4.403 2.097 3.978 1.00 0.00 O ATOM 147 CB ILE A 392 1.697 1.372 5.245 1.00 0.00 C ATOM 148 CG1 ILE A 392 0.374 1.575 5.995 1.00 0.00 C ATOM 149 CG2 ILE A 392 2.138 -0.077 5.375 1.00 0.00 C ATOM 150 CD1 ILE A 392 -0.346 2.863 5.682 1.00 0.00 C ATOM 0 H ILE A 392 1.671 3.841 4.865 1.00 0.00 H new ATOM 0 HA ILE A 392 2.843 2.264 6.847 1.00 0.00 H new ATOM 0 HB ILE A 392 1.533 1.608 4.194 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.289 0.741 5.764 1.00 0.00 H new ATOM 0 HG13 ILE A 392 0.572 1.538 7.066 1.00 0.00 H new ATOM 0 HG21 ILE A 392 1.348 -0.732 5.009 1.00 0.00 H new ATOM 0 HG22 ILE A 392 3.043 -0.236 4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 392 2.340 -0.303 6.422 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -1.268 2.914 6.260 1.00 0.00 H new ATOM 0 HD12 ILE A 392 0.292 3.708 5.941 1.00 0.00 H new ATOM 0 HD13 ILE A 392 -0.582 2.899 4.618 1.00 0.00 H new ATOM 162 N THR A 393 4.985 1.295 5.989 1.00 0.00 N ATOM 163 CA THR A 393 6.271 0.801 5.532 1.00 0.00 C ATOM 164 C THR A 393 6.465 -0.633 6.014 1.00 0.00 C ATOM 165 O THR A 393 7.578 -1.084 6.286 1.00 0.00 O ATOM 166 CB THR A 393 7.427 1.710 6.018 1.00 0.00 C ATOM 167 OG1 THR A 393 8.673 1.285 5.446 1.00 0.00 O ATOM 168 CG2 THR A 393 7.529 1.716 7.538 1.00 0.00 C ATOM 0 H THR A 393 4.796 1.130 6.978 1.00 0.00 H new ATOM 0 HA THR A 393 6.285 0.816 4.442 1.00 0.00 H new ATOM 0 HB THR A 393 7.209 2.726 5.688 1.00 0.00 H new ATOM 0 HG1 THR A 393 8.799 0.327 5.611 1.00 0.00 H new ATOM 0 HG21 THR A 393 8.350 2.364 7.845 1.00 0.00 H new ATOM 0 HG22 THR A 393 6.596 2.086 7.964 1.00 0.00 H new ATOM 0 HG23 THR A 393 7.714 0.703 7.894 1.00 0.00 H new ATOM 176 N GLU A 394 5.356 -1.357 6.066 1.00 0.00 N ATOM 177 CA GLU A 394 5.354 -2.748 6.484 1.00 0.00 C ATOM 178 C GLU A 394 4.420 -3.552 5.592 1.00 0.00 C ATOM 179 O GLU A 394 3.286 -3.138 5.345 1.00 0.00 O ATOM 180 CB GLU A 394 4.887 -2.862 7.933 1.00 0.00 C ATOM 181 CG GLU A 394 5.809 -2.197 8.940 1.00 0.00 C ATOM 182 CD GLU A 394 5.125 -1.965 10.269 1.00 0.00 C ATOM 183 OE1 GLU A 394 4.296 -1.038 10.362 1.00 0.00 O ATOM 184 OE2 GLU A 394 5.378 -2.736 11.213 1.00 0.00 O ATOM 0 H GLU A 394 4.435 -0.996 5.820 1.00 0.00 H new ATOM 0 HA GLU A 394 6.368 -3.139 6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.895 -2.419 8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.789 -3.917 8.189 1.00 0.00 H new ATOM 0 HG2 GLU A 394 6.691 -2.820 9.090 1.00 0.00 H new ATOM 0 HG3 GLU A 394 6.156 -1.244 8.540 1.00 0.00 H new ATOM 191 N GLU A 395 4.903 -4.684 5.097 1.00 0.00 N ATOM 192 CA GLU A 395 4.121 -5.540 4.224 1.00 0.00 C ATOM 193 C GLU A 395 2.826 -5.998 4.902 1.00 0.00 C ATOM 194 O GLU A 395 1.756 -5.787 4.350 1.00 0.00 O ATOM 195 CB GLU A 395 4.954 -6.739 3.759 1.00 0.00 C ATOM 196 CG GLU A 395 4.266 -7.594 2.708 1.00 0.00 C ATOM 197 CD GLU A 395 5.150 -8.712 2.201 1.00 0.00 C ATOM 198 OE1 GLU A 395 5.569 -9.562 3.014 1.00 0.00 O ATOM 199 OE2 GLU A 395 5.433 -8.750 0.986 1.00 0.00 O ATOM 0 H GLU A 395 5.843 -5.031 5.290 1.00 0.00 H new ATOM 0 HA GLU A 395 3.840 -4.957 3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 395 5.901 -6.378 3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.191 -7.361 4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 395 3.355 -8.018 3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 395 3.967 -6.964 1.871 1.00 0.00 H new ATOM 206 N PRO A 396 2.881 -6.566 6.134 1.00 0.00 N ATOM 207 CA PRO A 396 1.668 -7.000 6.845 1.00 0.00 C ATOM 208 C PRO A 396 0.677 -5.856 7.053 1.00 0.00 C ATOM 209 O PRO A 396 -0.533 -6.043 6.937 1.00 0.00 O ATOM 210 CB PRO A 396 2.192 -7.506 8.194 1.00 0.00 C ATOM 211 CG PRO A 396 3.630 -7.809 7.961 1.00 0.00 C ATOM 212 CD PRO A 396 4.094 -6.816 6.937 1.00 0.00 C ATOM 0 HA PRO A 396 1.120 -7.755 6.281 1.00 0.00 H new ATOM 0 HB2 PRO A 396 2.069 -6.753 8.973 1.00 0.00 H new ATOM 0 HB3 PRO A 396 1.650 -8.394 8.520 1.00 0.00 H new ATOM 0 HG2 PRO A 396 4.204 -7.717 8.883 1.00 0.00 H new ATOM 0 HG3 PRO A 396 3.762 -8.830 7.604 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.465 -5.902 7.402 1.00 0.00 H new ATOM 0 HD3 PRO A 396 4.905 -7.215 6.328 1.00 0.00 H new ATOM 220 N LYS A 397 1.202 -4.665 7.307 1.00 0.00 N ATOM 221 CA LYS A 397 0.370 -3.480 7.480 1.00 0.00 C ATOM 222 C LYS A 397 -0.320 -3.102 6.174 1.00 0.00 C ATOM 223 O LYS A 397 -1.516 -2.815 6.153 1.00 0.00 O ATOM 224 CB LYS A 397 1.219 -2.306 7.971 1.00 0.00 C ATOM 225 CG LYS A 397 1.680 -2.435 9.412 1.00 0.00 C ATOM 226 CD LYS A 397 0.588 -2.040 10.391 1.00 0.00 C ATOM 227 CE LYS A 397 1.077 -2.103 11.831 1.00 0.00 C ATOM 228 NZ LYS A 397 2.229 -1.190 12.074 1.00 0.00 N ATOM 0 H LYS A 397 2.203 -4.493 7.398 1.00 0.00 H new ATOM 0 HA LYS A 397 -0.394 -3.710 8.223 1.00 0.00 H new ATOM 0 HB2 LYS A 397 2.094 -2.210 7.328 1.00 0.00 H new ATOM 0 HB3 LYS A 397 0.644 -1.386 7.866 1.00 0.00 H new ATOM 0 HG2 LYS A 397 1.987 -3.463 9.605 1.00 0.00 H new ATOM 0 HG3 LYS A 397 2.556 -1.806 9.571 1.00 0.00 H new ATOM 0 HD2 LYS A 397 0.245 -1.030 10.166 1.00 0.00 H new ATOM 0 HD3 LYS A 397 -0.269 -2.702 10.268 1.00 0.00 H new ATOM 0 HE2 LYS A 397 0.259 -1.840 12.502 1.00 0.00 H new ATOM 0 HE3 LYS A 397 1.369 -3.126 12.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 2.485 -1.215 13.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 3.042 -1.497 11.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 1.965 -0.220 11.808 1.00 0.00 H new ATOM 242 N CYS A 398 0.453 -3.060 5.101 1.00 0.00 N ATOM 243 CA CYS A 398 -0.056 -2.652 3.798 1.00 0.00 C ATOM 244 C CYS A 398 -0.975 -3.719 3.215 1.00 0.00 C ATOM 245 O CYS A 398 -1.985 -3.409 2.587 1.00 0.00 O ATOM 246 CB CYS A 398 1.106 -2.387 2.843 1.00 0.00 C ATOM 247 SG CYS A 398 0.650 -1.449 1.354 1.00 0.00 S ATOM 0 H CYS A 398 1.443 -3.305 5.106 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.632 -1.736 3.927 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.884 -1.842 3.378 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.537 -3.341 2.540 1.00 0.00 H new ATOM 252 N SER A 399 -0.606 -4.976 3.417 1.00 0.00 N ATOM 253 CA SER A 399 -1.379 -6.096 2.915 1.00 0.00 C ATOM 254 C SER A 399 -2.742 -6.153 3.610 1.00 0.00 C ATOM 255 O SER A 399 -3.742 -6.562 3.018 1.00 0.00 O ATOM 256 CB SER A 399 -0.593 -7.396 3.121 1.00 0.00 C ATOM 257 OG SER A 399 -0.435 -7.689 4.498 1.00 0.00 O ATOM 0 H SER A 399 0.233 -5.244 3.931 1.00 0.00 H new ATOM 0 HA SER A 399 -1.557 -5.967 1.847 1.00 0.00 H new ATOM 0 HB2 SER A 399 -1.112 -8.219 2.629 1.00 0.00 H new ATOM 0 HB3 SER A 399 0.386 -7.310 2.651 1.00 0.00 H new ATOM 0 HG SER A 399 -0.537 -6.867 5.021 1.00 0.00 H new ATOM 263 N GLU A 400 -2.773 -5.713 4.863 1.00 0.00 N ATOM 264 CA GLU A 400 -4.008 -5.662 5.635 1.00 0.00 C ATOM 265 C GLU A 400 -4.905 -4.527 5.139 1.00 0.00 C ATOM 266 O GLU A 400 -6.131 -4.656 5.132 1.00 0.00 O ATOM 267 CB GLU A 400 -3.692 -5.475 7.119 1.00 0.00 C ATOM 268 CG GLU A 400 -4.348 -6.510 8.022 1.00 0.00 C ATOM 269 CD GLU A 400 -5.860 -6.451 7.984 1.00 0.00 C ATOM 270 OE1 GLU A 400 -6.427 -5.387 8.310 1.00 0.00 O ATOM 271 OE2 GLU A 400 -6.491 -7.473 7.650 1.00 0.00 O ATOM 0 H GLU A 400 -1.950 -5.384 5.368 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.539 -6.604 5.502 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -2.612 -5.517 7.259 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -4.015 -4.481 7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -4.021 -7.506 7.723 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -4.009 -6.358 9.047 1.00 0.00 H new ATOM 278 N GLU A 401 -4.283 -3.428 4.708 1.00 0.00 N ATOM 279 CA GLU A 401 -5.013 -2.276 4.183 1.00 0.00 C ATOM 280 C GLU A 401 -5.947 -2.688 3.053 1.00 0.00 C ATOM 281 O GLU A 401 -5.578 -3.474 2.176 1.00 0.00 O ATOM 282 CB GLU A 401 -4.048 -1.204 3.661 1.00 0.00 C ATOM 283 CG GLU A 401 -3.191 -0.549 4.732 1.00 0.00 C ATOM 284 CD GLU A 401 -3.979 0.348 5.671 1.00 0.00 C ATOM 285 OE1 GLU A 401 -5.200 0.520 5.467 1.00 0.00 O ATOM 286 OE2 GLU A 401 -3.383 0.893 6.620 1.00 0.00 O ATOM 0 H GLU A 401 -3.270 -3.313 4.713 1.00 0.00 H new ATOM 0 HA GLU A 401 -5.599 -1.866 5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.393 -1.655 2.916 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.625 -0.431 3.153 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -2.695 -1.325 5.314 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -2.409 0.039 4.252 1.00 0.00 H new ATOM 293 N LYS A 402 -7.141 -2.128 3.058 1.00 0.00 N ATOM 294 CA LYS A 402 -8.099 -2.377 2.001 1.00 0.00 C ATOM 295 C LYS A 402 -7.757 -1.535 0.780 1.00 0.00 C ATOM 296 O LYS A 402 -7.345 -0.381 0.918 1.00 0.00 O ATOM 297 CB LYS A 402 -9.520 -2.075 2.482 1.00 0.00 C ATOM 298 CG LYS A 402 -9.971 -2.965 3.631 1.00 0.00 C ATOM 299 CD LYS A 402 -11.369 -2.610 4.114 1.00 0.00 C ATOM 300 CE LYS A 402 -12.432 -2.904 3.062 1.00 0.00 C ATOM 301 NZ LYS A 402 -12.444 -4.337 2.662 1.00 0.00 N ATOM 0 H LYS A 402 -7.471 -1.495 3.786 1.00 0.00 H new ATOM 0 HA LYS A 402 -8.051 -3.430 1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.575 -1.033 2.796 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -10.211 -2.194 1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -9.952 -4.007 3.311 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -9.268 -2.873 4.458 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -11.592 -3.172 5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -11.403 -1.553 4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -13.412 -2.629 3.451 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -12.253 -2.285 2.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -13.325 -4.547 2.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -11.630 -4.532 2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -12.386 -4.935 3.511 1.00 0.00 H new ATOM 315 N ILE A 403 -7.897 -2.146 -0.396 1.00 0.00 N ATOM 316 CA ILE A 403 -7.618 -1.518 -1.696 1.00 0.00 C ATOM 317 C ILE A 403 -6.256 -0.786 -1.722 1.00 0.00 C ATOM 318 O ILE A 403 -6.013 0.102 -2.546 1.00 0.00 O ATOM 319 CB ILE A 403 -8.805 -0.615 -2.161 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.658 -0.233 -3.639 1.00 0.00 C ATOM 321 CG2 ILE A 403 -8.951 0.634 -1.303 1.00 0.00 C ATOM 322 CD1 ILE A 403 -9.914 0.350 -4.246 1.00 0.00 C ATOM 0 H ILE A 403 -8.214 -3.112 -0.478 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.530 -2.321 -2.428 1.00 0.00 H new ATOM 0 HB ILE A 403 -9.714 -1.203 -2.038 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -7.848 0.489 -3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -8.368 -1.117 -4.206 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -9.789 1.229 -1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -9.132 0.345 -0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -8.036 1.224 -1.360 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -9.732 0.595 -5.292 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -10.722 -0.378 -4.179 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -10.194 1.254 -3.705 1.00 0.00 H new ATOM 334 N CYS A 404 -5.293 -1.365 -1.012 1.00 0.00 N ATOM 335 CA CYS A 404 -3.898 -0.957 -1.110 1.00 0.00 C ATOM 336 C CYS A 404 -3.021 -2.199 -1.180 1.00 0.00 C ATOM 337 O CYS A 404 -3.425 -3.263 -0.713 1.00 0.00 O ATOM 338 CB CYS A 404 -3.495 -0.072 0.071 1.00 0.00 C ATOM 339 SG CYS A 404 -4.031 1.660 -0.103 1.00 0.00 S ATOM 0 H CYS A 404 -5.458 -2.128 -0.355 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.763 -0.366 -2.016 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -3.920 -0.485 0.986 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -2.411 -0.099 0.182 1.00 0.00 H new ATOM 344 N SER A 405 -1.903 -2.113 -1.893 1.00 0.00 N ATOM 345 CA SER A 405 -1.072 -3.288 -2.128 1.00 0.00 C ATOM 346 C SER A 405 0.406 -2.957 -1.955 1.00 0.00 C ATOM 347 O SER A 405 0.809 -1.794 -2.049 1.00 0.00 O ATOM 348 CB SER A 405 -1.322 -3.850 -3.532 1.00 0.00 C ATOM 349 OG SER A 405 -0.715 -5.122 -3.690 1.00 0.00 O ATOM 0 H SER A 405 -1.554 -1.252 -2.314 1.00 0.00 H new ATOM 0 HA SER A 405 -1.344 -4.043 -1.390 1.00 0.00 H new ATOM 0 HB2 SER A 405 -2.395 -3.931 -3.709 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.928 -3.160 -4.278 1.00 0.00 H new ATOM 0 HG SER A 405 -0.608 -5.317 -4.644 1.00 0.00 H new ATOM 355 N TRP A 406 1.188 -3.983 -1.638 1.00 0.00 N ATOM 356 CA TRP A 406 2.614 -3.826 -1.387 1.00 0.00 C ATOM 357 C TRP A 406 3.409 -3.759 -2.695 1.00 0.00 C ATOM 358 O TRP A 406 3.226 -4.571 -3.602 1.00 0.00 O ATOM 359 CB TRP A 406 3.114 -4.986 -0.520 1.00 0.00 C ATOM 360 CG TRP A 406 4.487 -4.780 0.057 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.605 -5.510 -0.216 1.00 0.00 C ATOM 362 CD2 TRP A 406 4.876 -3.806 1.033 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.664 -5.045 0.513 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.246 -4.002 1.294 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.207 -2.786 1.708 1.00 0.00 C ATOM 366 CZ2 TRP A 406 6.950 -3.222 2.203 1.00 0.00 C ATOM 367 CZ3 TRP A 406 4.908 -2.010 2.610 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.268 -2.231 2.849 1.00 0.00 C ATOM 0 H TRP A 406 0.852 -4.942 -1.548 1.00 0.00 H new ATOM 0 HA TRP A 406 2.767 -2.885 -0.859 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.409 -5.144 0.297 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.117 -5.897 -1.119 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.648 -6.337 -0.909 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.614 -5.416 0.480 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.157 -2.606 1.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 7.999 -3.393 2.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.397 -1.219 3.140 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.789 -1.605 3.559 1.00 0.00 H new ATOM 379 N HIS A 407 4.318 -2.805 -2.745 1.00 0.00 N ATOM 380 CA HIS A 407 5.204 -2.598 -3.879 1.00 0.00 C ATOM 381 C HIS A 407 6.544 -3.256 -3.583 1.00 0.00 C ATOM 382 O HIS A 407 7.434 -2.623 -3.020 1.00 0.00 O ATOM 383 CB HIS A 407 5.395 -1.090 -4.092 1.00 0.00 C ATOM 384 CG HIS A 407 5.988 -0.683 -5.405 1.00 0.00 C ATOM 385 ND1 HIS A 407 7.174 -1.181 -5.889 1.00 0.00 N ATOM 386 CD2 HIS A 407 5.570 0.233 -6.312 1.00 0.00 C ATOM 387 CE1 HIS A 407 7.460 -0.590 -7.031 1.00 0.00 C ATOM 388 NE2 HIS A 407 6.504 0.269 -7.312 1.00 0.00 N ATOM 0 H HIS A 407 4.466 -2.139 -1.987 1.00 0.00 H new ATOM 0 HA HIS A 407 4.777 -3.038 -4.780 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.426 -0.603 -3.987 1.00 0.00 H new ATOM 0 HB3 HIS A 407 6.032 -0.708 -3.294 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.668 0.824 -6.256 1.00 0.00 H new ATOM 0 HE1 HIS A 407 8.334 -0.779 -7.636 1.00 0.00 H new ATOM 0 HE2 HIS A 407 6.465 0.864 -8.139 1.00 0.00 H new ATOM 397 N LYS A 408 6.644 -4.549 -3.845 1.00 0.00 N ATOM 398 CA LYS A 408 7.842 -5.302 -3.494 1.00 0.00 C ATOM 399 C LYS A 408 9.058 -4.818 -4.286 1.00 0.00 C ATOM 400 O LYS A 408 10.120 -4.567 -3.714 1.00 0.00 O ATOM 401 CB LYS A 408 7.615 -6.800 -3.719 1.00 0.00 C ATOM 402 CG LYS A 408 6.573 -7.393 -2.782 1.00 0.00 C ATOM 403 CD LYS A 408 6.440 -8.900 -2.941 1.00 0.00 C ATOM 404 CE LYS A 408 5.723 -9.283 -4.226 1.00 0.00 C ATOM 405 NZ LYS A 408 5.492 -10.751 -4.308 1.00 0.00 N ATOM 0 H LYS A 408 5.914 -5.099 -4.298 1.00 0.00 H new ATOM 0 HA LYS A 408 8.046 -5.133 -2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 408 7.302 -6.963 -4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 408 8.559 -7.329 -3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 408 6.842 -7.162 -1.751 1.00 0.00 H new ATOM 0 HG3 LYS A 408 5.608 -6.924 -2.973 1.00 0.00 H new ATOM 0 HD2 LYS A 408 7.431 -9.353 -2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 408 5.896 -9.307 -2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 408 4.768 -8.760 -4.280 1.00 0.00 H new ATOM 0 HE3 LYS A 408 6.313 -8.959 -5.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 5.001 -10.976 -5.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 6.405 -11.248 -4.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 4.908 -11.056 -3.503 1.00 0.00 H new ATOM 419 N GLU A 409 8.898 -4.680 -5.596 1.00 0.00 N ATOM 420 CA GLU A 409 9.989 -4.259 -6.464 1.00 0.00 C ATOM 421 C GLU A 409 10.173 -2.744 -6.452 1.00 0.00 C ATOM 422 O GLU A 409 10.000 -2.082 -7.476 1.00 0.00 O ATOM 423 CB GLU A 409 9.732 -4.726 -7.896 1.00 0.00 C ATOM 424 CG GLU A 409 9.875 -6.226 -8.119 1.00 0.00 C ATOM 425 CD GLU A 409 8.725 -7.028 -7.550 1.00 0.00 C ATOM 426 OE1 GLU A 409 7.559 -6.705 -7.858 1.00 0.00 O ATOM 427 OE2 GLU A 409 8.982 -8.008 -6.823 1.00 0.00 O ATOM 0 H GLU A 409 8.018 -4.855 -6.082 1.00 0.00 H new ATOM 0 HA GLU A 409 10.902 -4.715 -6.082 1.00 0.00 H new ATOM 0 HB2 GLU A 409 8.725 -4.425 -8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 409 10.423 -4.207 -8.561 1.00 0.00 H new ATOM 0 HG2 GLU A 409 9.951 -6.422 -9.189 1.00 0.00 H new ATOM 0 HG3 GLU A 409 10.806 -6.567 -7.666 1.00 0.00 H new ATOM 434 N VAL A 410 10.511 -2.190 -5.301 1.00 0.00 N ATOM 435 CA VAL A 410 10.724 -0.750 -5.186 1.00 0.00 C ATOM 436 C VAL A 410 12.097 -0.324 -5.689 1.00 0.00 C ATOM 437 O VAL A 410 13.119 -0.909 -5.325 1.00 0.00 O ATOM 438 CB VAL A 410 10.557 -0.238 -3.744 1.00 0.00 C ATOM 439 CG1 VAL A 410 9.089 -0.079 -3.403 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.246 -1.162 -2.753 1.00 0.00 C ATOM 0 H VAL A 410 10.645 -2.709 -4.433 1.00 0.00 H new ATOM 0 HA VAL A 410 9.953 -0.305 -5.815 1.00 0.00 H new ATOM 0 HB VAL A 410 11.033 0.740 -3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 410 8.990 0.284 -2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.632 0.636 -4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 410 8.587 -1.042 -3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 410 11.112 -0.776 -1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 410 10.811 -2.159 -2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.310 -1.214 -2.983 1.00 0.00 H new ATOM 450 N LYS A 411 12.112 0.798 -6.387 1.00 0.00 N ATOM 451 CA LYS A 411 13.349 1.456 -6.761 1.00 0.00 C ATOM 452 C LYS A 411 13.564 2.641 -5.829 1.00 0.00 C ATOM 453 O LYS A 411 12.588 3.261 -5.400 1.00 0.00 O ATOM 454 CB LYS A 411 13.289 1.918 -8.220 1.00 0.00 C ATOM 455 CG LYS A 411 14.538 2.647 -8.685 1.00 0.00 C ATOM 456 CD LYS A 411 14.459 3.005 -10.160 1.00 0.00 C ATOM 457 CE LYS A 411 15.574 3.957 -10.560 1.00 0.00 C ATOM 458 NZ LYS A 411 15.455 5.263 -9.862 1.00 0.00 N ATOM 0 H LYS A 411 11.270 1.276 -6.709 1.00 0.00 H new ATOM 0 HA LYS A 411 14.183 0.761 -6.669 1.00 0.00 H new ATOM 0 HB2 LYS A 411 13.127 1.050 -8.860 1.00 0.00 H new ATOM 0 HB3 LYS A 411 12.428 2.574 -8.348 1.00 0.00 H new ATOM 0 HG2 LYS A 411 14.671 3.555 -8.096 1.00 0.00 H new ATOM 0 HG3 LYS A 411 15.413 2.021 -8.508 1.00 0.00 H new ATOM 0 HD2 LYS A 411 14.521 2.097 -10.760 1.00 0.00 H new ATOM 0 HD3 LYS A 411 13.493 3.463 -10.374 1.00 0.00 H new ATOM 0 HE2 LYS A 411 16.539 3.506 -10.328 1.00 0.00 H new ATOM 0 HE3 LYS A 411 15.548 4.116 -11.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 15.994 5.985 -10.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 14.454 5.543 -9.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 15.833 5.177 -8.897 1.00 0.00 H new ATOM 472 N ALA A 412 14.813 2.882 -5.434 1.00 0.00 N ATOM 473 CA ALA A 412 15.125 3.934 -4.468 1.00 0.00 C ATOM 474 C ALA A 412 14.520 5.267 -4.892 1.00 0.00 C ATOM 475 O ALA A 412 14.889 5.837 -5.920 1.00 0.00 O ATOM 476 CB ALA A 412 16.630 4.068 -4.294 1.00 0.00 C ATOM 0 H ALA A 412 15.625 2.363 -5.768 1.00 0.00 H new ATOM 0 HA ALA A 412 14.685 3.652 -3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 412 16.844 4.856 -3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 412 17.040 3.124 -3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 412 17.086 4.320 -5.251 1.00 0.00 H new ATOM 482 N GLY A 413 13.512 5.699 -4.155 1.00 0.00 N ATOM 483 CA GLY A 413 12.800 6.904 -4.510 1.00 0.00 C ATOM 484 C GLY A 413 11.299 6.707 -4.478 1.00 0.00 C ATOM 485 O GLY A 413 10.547 7.644 -4.199 1.00 0.00 O ATOM 0 H GLY A 413 13.173 5.234 -3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 413 13.075 7.704 -3.822 1.00 0.00 H new ATOM 0 HA3 GLY A 413 13.102 7.223 -5.507 1.00 0.00 H new ATOM 489 N GLU A 414 10.860 5.494 -4.791 1.00 0.00 N ATOM 490 CA GLU A 414 9.437 5.169 -4.806 1.00 0.00 C ATOM 491 C GLU A 414 8.915 4.934 -3.389 1.00 0.00 C ATOM 492 O GLU A 414 9.459 5.462 -2.417 1.00 0.00 O ATOM 493 CB GLU A 414 9.185 3.926 -5.666 1.00 0.00 C ATOM 494 CG GLU A 414 9.474 4.121 -7.146 1.00 0.00 C ATOM 495 CD GLU A 414 8.556 5.138 -7.793 1.00 0.00 C ATOM 496 OE1 GLU A 414 8.715 6.349 -7.534 1.00 0.00 O ATOM 497 OE2 GLU A 414 7.657 4.732 -8.553 1.00 0.00 O ATOM 0 H GLU A 414 11.471 4.716 -5.039 1.00 0.00 H new ATOM 0 HA GLU A 414 8.902 6.016 -5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 414 9.801 3.108 -5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 414 8.145 3.621 -5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 414 10.509 4.441 -7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 414 9.371 3.166 -7.661 1.00 0.00 H new ATOM 504 N LYS A 415 7.870 4.126 -3.274 1.00 0.00 N ATOM 505 CA LYS A 415 7.274 3.820 -1.984 1.00 0.00 C ATOM 506 C LYS A 415 6.735 2.398 -1.996 1.00 0.00 C ATOM 507 O LYS A 415 6.278 1.919 -3.030 1.00 0.00 O ATOM 508 CB LYS A 415 6.153 4.820 -1.670 1.00 0.00 C ATOM 509 CG LYS A 415 5.455 4.584 -0.338 1.00 0.00 C ATOM 510 CD LYS A 415 6.442 4.556 0.819 1.00 0.00 C ATOM 511 CE LYS A 415 7.169 5.882 0.979 1.00 0.00 C ATOM 512 NZ LYS A 415 8.190 5.818 2.056 1.00 0.00 N ATOM 0 H LYS A 415 7.416 3.669 -4.065 1.00 0.00 H new ATOM 0 HA LYS A 415 8.034 3.902 -1.207 1.00 0.00 H new ATOM 0 HB2 LYS A 415 6.569 5.827 -1.675 1.00 0.00 H new ATOM 0 HB3 LYS A 415 5.411 4.778 -2.468 1.00 0.00 H new ATOM 0 HG2 LYS A 415 4.719 5.370 -0.169 1.00 0.00 H new ATOM 0 HG3 LYS A 415 4.911 3.640 -0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 415 5.912 4.319 1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 415 7.170 3.761 0.656 1.00 0.00 H new ATOM 0 HE2 LYS A 415 7.648 6.151 0.038 1.00 0.00 H new ATOM 0 HE3 LYS A 415 6.449 6.668 1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 8.666 6.739 2.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 7.728 5.585 2.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 8.891 5.085 1.827 1.00 0.00 H new ATOM 526 N ASN A 416 6.923 1.683 -0.898 1.00 0.00 N ATOM 527 CA ASN A 416 6.533 0.284 -0.842 1.00 0.00 C ATOM 528 C ASN A 416 5.027 0.120 -0.676 1.00 0.00 C ATOM 529 O ASN A 416 4.460 -0.847 -1.152 1.00 0.00 O ATOM 530 CB ASN A 416 7.262 -0.467 0.273 1.00 0.00 C ATOM 531 CG ASN A 416 8.703 -0.789 -0.073 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.555 0.096 -0.117 1.00 0.00 O ATOM 533 ND2 ASN A 416 8.980 -2.058 -0.340 1.00 0.00 N ATOM 0 H ASN A 416 7.340 2.045 -0.040 1.00 0.00 H new ATOM 0 HA ASN A 416 6.824 -0.151 -1.798 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.238 0.132 1.183 1.00 0.00 H new ATOM 0 HB3 ASN A 416 6.730 -1.394 0.487 1.00 0.00 H new ATOM 0 HD21 ASN A 416 9.930 -2.330 -0.593 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.243 -2.762 -0.292 1.00 0.00 H new ATOM 540 N CYS A 417 4.373 1.023 0.026 1.00 0.00 N ATOM 541 CA CYS A 417 2.934 0.901 0.197 1.00 0.00 C ATOM 542 C CYS A 417 2.210 2.019 -0.534 1.00 0.00 C ATOM 543 O CYS A 417 2.587 3.187 -0.434 1.00 0.00 O ATOM 544 CB CYS A 417 2.549 0.900 1.670 1.00 0.00 C ATOM 545 SG CYS A 417 0.797 0.479 1.962 1.00 0.00 S ATOM 0 H CYS A 417 4.799 1.832 0.479 1.00 0.00 H new ATOM 0 HA CYS A 417 2.631 -0.054 -0.233 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.180 0.188 2.202 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.754 1.884 2.092 1.00 0.00 H new ATOM 550 N GLN A 418 1.186 1.647 -1.288 1.00 0.00 N ATOM 551 CA GLN A 418 0.417 2.600 -2.072 1.00 0.00 C ATOM 552 C GLN A 418 -0.928 2.006 -2.459 1.00 0.00 C ATOM 553 O GLN A 418 -1.165 0.805 -2.298 1.00 0.00 O ATOM 554 CB GLN A 418 1.165 3.020 -3.346 1.00 0.00 C ATOM 555 CG GLN A 418 1.443 1.870 -4.304 1.00 0.00 C ATOM 556 CD GLN A 418 2.687 1.100 -3.933 1.00 0.00 C ATOM 557 OE1 GLN A 418 3.798 1.597 -4.089 1.00 0.00 O ATOM 558 NE2 GLN A 418 2.511 -0.105 -3.413 1.00 0.00 N ATOM 0 H GLN A 418 0.867 0.682 -1.373 1.00 0.00 H new ATOM 0 HA GLN A 418 0.267 3.482 -1.450 1.00 0.00 H new ATOM 0 HB2 GLN A 418 0.581 3.780 -3.865 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.111 3.483 -3.065 1.00 0.00 H new ATOM 0 HG2 GLN A 418 0.589 1.193 -4.312 1.00 0.00 H new ATOM 0 HG3 GLN A 418 1.549 2.261 -5.316 1.00 0.00 H new ATOM 0 HE21 GLN A 418 1.569 -0.480 -3.301 1.00 0.00 H new ATOM 0 HE22 GLN A 418 3.318 -0.659 -3.124 1.00 0.00 H new ATOM 567 N PHE A 419 -1.783 2.857 -2.993 1.00 0.00 N ATOM 568 CA PHE A 419 -3.097 2.453 -3.462 1.00 0.00 C ATOM 569 C PHE A 419 -2.965 1.498 -4.643 1.00 0.00 C ATOM 570 O PHE A 419 -2.206 1.763 -5.574 1.00 0.00 O ATOM 571 CB PHE A 419 -3.872 3.693 -3.892 1.00 0.00 C ATOM 572 CG PHE A 419 -5.354 3.534 -3.822 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.967 3.295 -2.612 1.00 0.00 C ATOM 574 CD2 PHE A 419 -6.132 3.639 -4.961 1.00 0.00 C ATOM 575 CE1 PHE A 419 -7.336 3.162 -2.534 1.00 0.00 C ATOM 576 CE2 PHE A 419 -7.503 3.508 -4.890 1.00 0.00 C ATOM 577 CZ PHE A 419 -8.105 3.266 -3.675 1.00 0.00 C ATOM 0 H PHE A 419 -1.587 3.851 -3.115 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.626 1.943 -2.657 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -3.576 4.531 -3.261 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -3.592 3.949 -4.914 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.369 3.211 -1.716 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -5.661 3.825 -5.915 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.807 2.976 -1.580 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -8.103 3.595 -5.784 1.00 0.00 H new ATOM 0 HZ PHE A 419 -9.178 3.158 -3.615 1.00 0.00 H new ATOM 587 N ASN A 420 -3.729 0.413 -4.637 1.00 0.00 N ATOM 588 CA ASN A 420 -3.694 -0.512 -5.763 1.00 0.00 C ATOM 589 C ASN A 420 -4.711 -0.104 -6.820 1.00 0.00 C ATOM 590 O ASN A 420 -4.461 -0.264 -8.011 1.00 0.00 O ATOM 591 CB ASN A 420 -3.886 -1.984 -5.345 1.00 0.00 C ATOM 592 CG ASN A 420 -5.175 -2.291 -4.597 1.00 0.00 C ATOM 593 OD1 ASN A 420 -6.256 -1.838 -4.964 1.00 0.00 O ATOM 594 ND2 ASN A 420 -5.074 -3.123 -3.571 1.00 0.00 N ATOM 0 H ASN A 420 -4.367 0.155 -3.884 1.00 0.00 H new ATOM 0 HA ASN A 420 -2.694 -0.448 -6.191 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -3.849 -2.605 -6.240 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -3.044 -2.278 -4.718 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -5.910 -3.406 -3.060 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -4.160 -3.481 -3.292 1.00 0.00 H new ATOM 601 N SER A 421 -5.833 0.452 -6.365 1.00 0.00 N ATOM 602 CA SER A 421 -6.916 0.906 -7.238 1.00 0.00 C ATOM 603 C SER A 421 -7.587 -0.275 -7.941 1.00 0.00 C ATOM 604 O SER A 421 -6.974 -0.962 -8.761 1.00 0.00 O ATOM 605 CB SER A 421 -6.406 1.925 -8.263 1.00 0.00 C ATOM 606 OG SER A 421 -7.484 2.584 -8.908 1.00 0.00 O ATOM 0 H SER A 421 -6.018 0.601 -5.373 1.00 0.00 H new ATOM 0 HA SER A 421 -7.662 1.397 -6.613 1.00 0.00 H new ATOM 0 HB2 SER A 421 -5.772 2.659 -7.766 1.00 0.00 H new ATOM 0 HB3 SER A 421 -5.788 1.420 -9.005 1.00 0.00 H new ATOM 0 HG SER A 421 -7.132 3.230 -9.556 1.00 0.00 H new ATOM 612 N THR A 422 -8.874 -0.464 -7.645 1.00 0.00 N ATOM 613 CA THR A 422 -9.686 -1.535 -8.229 1.00 0.00 C ATOM 614 C THR A 422 -8.961 -2.883 -8.205 1.00 0.00 C ATOM 615 O THR A 422 -8.925 -3.608 -9.202 1.00 0.00 O ATOM 616 CB THR A 422 -10.146 -1.203 -9.669 1.00 0.00 C ATOM 617 OG1 THR A 422 -9.045 -0.729 -10.457 1.00 0.00 O ATOM 618 CG2 THR A 422 -11.251 -0.157 -9.652 1.00 0.00 C ATOM 0 H THR A 422 -9.386 0.125 -6.989 1.00 0.00 H new ATOM 0 HA THR A 422 -10.574 -1.614 -7.602 1.00 0.00 H new ATOM 0 HB THR A 422 -10.532 -2.119 -10.116 1.00 0.00 H new ATOM 0 HG1 THR A 422 -8.204 -1.054 -10.073 1.00 0.00 H new ATOM 0 HG21 THR A 422 -11.560 0.062 -10.674 1.00 0.00 H new ATOM 0 HG22 THR A 422 -12.103 -0.537 -9.089 1.00 0.00 H new ATOM 0 HG23 THR A 422 -10.882 0.754 -9.181 1.00 0.00 H new ATOM 626 N LYS A 423 -8.370 -3.197 -7.065 1.00 0.00 N ATOM 627 CA LYS A 423 -7.629 -4.435 -6.900 1.00 0.00 C ATOM 628 C LYS A 423 -7.733 -4.876 -5.444 1.00 0.00 C ATOM 629 O LYS A 423 -6.799 -5.440 -4.867 1.00 0.00 O ATOM 630 CB LYS A 423 -6.167 -4.210 -7.290 1.00 0.00 C ATOM 631 CG LYS A 423 -5.433 -5.461 -7.729 1.00 0.00 C ATOM 632 CD LYS A 423 -5.923 -5.958 -9.079 1.00 0.00 C ATOM 633 CE LYS A 423 -5.111 -7.152 -9.559 1.00 0.00 C ATOM 634 NZ LYS A 423 -3.660 -6.838 -9.652 1.00 0.00 N ATOM 0 H LYS A 423 -8.390 -2.606 -6.234 1.00 0.00 H new ATOM 0 HA LYS A 423 -8.042 -5.213 -7.542 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -6.128 -3.479 -8.098 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -5.641 -3.775 -6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -4.364 -5.255 -7.784 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -5.569 -6.243 -6.982 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -6.974 -6.237 -9.006 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -5.857 -5.153 -9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -5.258 -7.989 -8.876 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -5.476 -7.470 -10.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -3.193 -7.534 -10.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -3.536 -5.885 -10.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -3.235 -6.875 -8.703 1.00 0.00 H new ATOM 648 N ALA A 424 -8.866 -4.549 -4.843 1.00 0.00 N ATOM 649 CA ALA A 424 -9.114 -4.842 -3.441 1.00 0.00 C ATOM 650 C ALA A 424 -9.511 -6.298 -3.235 1.00 0.00 C ATOM 651 O ALA A 424 -9.248 -6.876 -2.181 1.00 0.00 O ATOM 652 CB ALA A 424 -10.189 -3.919 -2.895 1.00 0.00 C ATOM 0 H ALA A 424 -9.637 -4.074 -5.312 1.00 0.00 H new ATOM 0 HA ALA A 424 -8.186 -4.672 -2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -10.366 -4.148 -1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -9.862 -2.883 -2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -11.111 -4.062 -3.458 1.00 0.00 H new ATOM 658 N SER A 425 -10.164 -6.881 -4.231 1.00 0.00 N ATOM 659 CA SER A 425 -10.606 -8.265 -4.144 1.00 0.00 C ATOM 660 C SER A 425 -9.406 -9.201 -4.062 1.00 0.00 C ATOM 661 O SER A 425 -9.343 -10.079 -3.203 1.00 0.00 O ATOM 662 CB SER A 425 -11.464 -8.607 -5.358 1.00 0.00 C ATOM 663 OG SER A 425 -12.494 -7.649 -5.528 1.00 0.00 O ATOM 0 H SER A 425 -10.399 -6.417 -5.108 1.00 0.00 H new ATOM 0 HA SER A 425 -11.202 -8.392 -3.240 1.00 0.00 H new ATOM 0 HB2 SER A 425 -10.841 -8.641 -6.252 1.00 0.00 H new ATOM 0 HB3 SER A 425 -11.899 -9.599 -5.234 1.00 0.00 H new ATOM 0 HG SER A 425 -13.033 -7.884 -6.312 1.00 0.00 H new ATOM 669 N LYS A 426 -8.416 -8.924 -4.896 1.00 0.00 N ATOM 670 CA LYS A 426 -7.163 -9.655 -4.891 1.00 0.00 C ATOM 671 C LYS A 426 -6.118 -8.824 -5.613 1.00 0.00 C ATOM 672 O LYS A 426 -6.300 -8.470 -6.778 1.00 0.00 O ATOM 673 CB LYS A 426 -7.333 -11.014 -5.577 1.00 0.00 C ATOM 674 CG LYS A 426 -6.062 -11.845 -5.637 1.00 0.00 C ATOM 675 CD LYS A 426 -6.300 -13.162 -6.361 1.00 0.00 C ATOM 676 CE LYS A 426 -5.007 -13.932 -6.586 1.00 0.00 C ATOM 677 NZ LYS A 426 -4.105 -13.252 -7.554 1.00 0.00 N ATOM 0 H LYS A 426 -8.461 -8.184 -5.596 1.00 0.00 H new ATOM 0 HA LYS A 426 -6.846 -9.837 -3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -8.100 -11.581 -5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -7.697 -10.853 -6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -5.280 -11.282 -6.147 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -5.705 -12.042 -4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -6.990 -13.775 -5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -6.777 -12.966 -7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -4.489 -14.054 -5.635 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -5.241 -14.932 -6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -3.340 -13.900 -7.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -4.646 -12.976 -8.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -3.697 -12.404 -7.112 1.00 0.00 H new ATOM 691 N SER A 427 -5.100 -8.405 -4.883 1.00 0.00 N ATOM 692 CA SER A 427 -4.099 -7.506 -5.428 1.00 0.00 C ATOM 693 C SER A 427 -3.205 -8.222 -6.434 1.00 0.00 C ATOM 694 O SER A 427 -3.147 -9.469 -6.394 1.00 0.00 O ATOM 695 CB SER A 427 -3.276 -6.905 -4.293 1.00 0.00 C ATOM 696 OG SER A 427 -4.118 -6.243 -3.361 1.00 0.00 O ATOM 697 OXT SER A 427 -2.590 -7.537 -7.279 1.00 0.00 O ATOM 0 H SER A 427 -4.945 -8.673 -3.911 1.00 0.00 H new ATOM 0 HA SER A 427 -4.605 -6.701 -5.961 1.00 0.00 H new ATOM 0 HB2 SER A 427 -2.714 -7.691 -3.789 1.00 0.00 H new ATOM 0 HB3 SER A 427 -2.548 -6.201 -4.697 1.00 0.00 H new ATOM 0 HG SER A 427 -4.954 -5.983 -3.802 1.00 0.00 H new TER 703 SER A 427