USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 346 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 421 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 422 THR OG1 : rot 18:sc= 0.692 USER MOD Set 2.1: A 405 SER OG : rot 171:sc= 0.624 USER MOD Set 2.2: A 420 ASN : amide:sc= -0.813! C(o=-0.19!,f=-7.3!) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 SER OG : rot 180:sc= -0.0434 USER MOD Single : A 390 ASN : amide:sc= -1.87! K(o=-1.9!,f=-0.18) USER MOD Single : A 391 LYS NZ :NH3+ 165:sc= 1.17 (180deg=0.629) USER MOD Single : A 393 THR OG1 : rot 180:sc= 0 USER MOD Single : A 397 LYS NZ :NH3+ -173:sc= -0.1 (180deg=-0.155) USER MOD Single : A 399 SER OG : rot 180:sc= 0 USER MOD Single : A 402 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00495) USER MOD Single : A 407 HIS : no HE2:sc= -0.684 K(o=-0.68,f=-3.2) USER MOD Single : A 408 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.149) USER MOD Single : A 411 LYS NZ :NH3+ -165:sc= -0.0317 (180deg=-0.268) USER MOD Single : A 415 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 416 ASN : amide:sc= -0.203 K(o=-0.2,f=-1) USER MOD Single : A 418 GLN : amide:sc= -5.47! C(o=-5.5!,f=-1.6!) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 SER OG : rot -150:sc= -0.557 USER MOD Single : A 426 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 382 -4.634 17.234 -0.716 1.00 0.00 N ATOM 2 CA GLY A 382 -5.262 16.964 0.597 1.00 0.00 C ATOM 3 C GLY A 382 -5.145 15.508 0.975 1.00 0.00 C ATOM 4 O GLY A 382 -4.123 14.878 0.706 1.00 0.00 O ATOM 0 HA2 GLY A 382 -4.788 17.579 1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -6.313 17.250 0.565 1.00 0.00 H new ATOM 10 N LYS A 383 -6.206 14.952 1.536 1.00 0.00 N ATOM 11 CA LYS A 383 -6.225 13.542 1.882 1.00 0.00 C ATOM 12 C LYS A 383 -6.366 12.699 0.623 1.00 0.00 C ATOM 13 O LYS A 383 -7.118 13.052 -0.289 1.00 0.00 O ATOM 14 CB LYS A 383 -7.365 13.228 2.856 1.00 0.00 C ATOM 15 CG LYS A 383 -7.279 11.827 3.438 1.00 0.00 C ATOM 16 CD LYS A 383 -8.472 11.500 4.318 1.00 0.00 C ATOM 17 CE LYS A 383 -8.341 10.115 4.930 1.00 0.00 C ATOM 18 NZ LYS A 383 -9.542 9.732 5.716 1.00 0.00 N ATOM 0 H LYS A 383 -7.064 15.455 1.761 1.00 0.00 H new ATOM 0 HA LYS A 383 -5.283 13.299 2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -7.352 13.955 3.668 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -8.318 13.344 2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -7.217 11.101 2.627 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -6.363 11.733 4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -8.557 12.244 5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -9.388 11.555 3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -8.179 9.384 4.138 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -7.463 10.086 5.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -9.407 8.781 6.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -9.683 10.414 6.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -10.377 9.733 5.096 1.00 0.00 H new ATOM 32 N SER A 384 -5.600 11.628 0.541 1.00 0.00 N ATOM 33 CA SER A 384 -5.616 10.767 -0.629 1.00 0.00 C ATOM 34 C SER A 384 -5.299 9.332 -0.228 1.00 0.00 C ATOM 35 O SER A 384 -4.463 9.102 0.646 1.00 0.00 O ATOM 36 CB SER A 384 -4.602 11.268 -1.663 1.00 0.00 C ATOM 37 OG SER A 384 -4.862 12.619 -2.013 1.00 0.00 O ATOM 0 H SER A 384 -4.955 11.331 1.274 1.00 0.00 H new ATOM 0 HA SER A 384 -6.611 10.792 -1.074 1.00 0.00 H new ATOM 0 HB2 SER A 384 -3.593 11.180 -1.261 1.00 0.00 H new ATOM 0 HB3 SER A 384 -4.646 10.642 -2.554 1.00 0.00 H new ATOM 0 HG SER A 384 -4.202 12.919 -2.673 1.00 0.00 H new ATOM 43 N PRO A 385 -6.028 8.356 -0.796 1.00 0.00 N ATOM 44 CA PRO A 385 -5.873 6.937 -0.454 1.00 0.00 C ATOM 45 C PRO A 385 -4.436 6.444 -0.615 1.00 0.00 C ATOM 46 O PRO A 385 -3.938 5.683 0.219 1.00 0.00 O ATOM 47 CB PRO A 385 -6.800 6.209 -1.438 1.00 0.00 C ATOM 48 CG PRO A 385 -7.190 7.228 -2.456 1.00 0.00 C ATOM 49 CD PRO A 385 -7.110 8.559 -1.769 1.00 0.00 C ATOM 0 HA PRO A 385 -6.120 6.756 0.592 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.291 5.365 -1.904 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.677 5.810 -0.928 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -6.522 7.194 -3.317 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -8.198 7.042 -2.827 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -6.880 9.363 -2.469 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -8.049 8.820 -1.281 1.00 0.00 H new ATOM 57 N GLU A 386 -3.758 6.908 -1.660 1.00 0.00 N ATOM 58 CA GLU A 386 -2.371 6.526 -1.883 1.00 0.00 C ATOM 59 C GLU A 386 -1.494 7.060 -0.763 1.00 0.00 C ATOM 60 O GLU A 386 -0.703 6.320 -0.192 1.00 0.00 O ATOM 61 CB GLU A 386 -1.871 7.034 -3.237 1.00 0.00 C ATOM 62 CG GLU A 386 -0.549 6.418 -3.662 1.00 0.00 C ATOM 63 CD GLU A 386 -0.144 6.812 -5.066 1.00 0.00 C ATOM 64 OE1 GLU A 386 -0.938 6.589 -6.003 1.00 0.00 O ATOM 65 OE2 GLU A 386 0.975 7.334 -5.239 1.00 0.00 O ATOM 0 H GLU A 386 -4.143 7.543 -2.359 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.315 5.437 -1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.623 6.821 -3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -1.761 8.117 -3.192 1.00 0.00 H new ATOM 0 HG2 GLU A 386 0.230 6.724 -2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.623 5.332 -3.601 1.00 0.00 H new ATOM 72 N ALA A 387 -1.710 8.320 -0.393 1.00 0.00 N ATOM 73 CA ALA A 387 -0.980 8.940 0.709 1.00 0.00 C ATOM 74 C ALA A 387 -1.216 8.185 2.011 1.00 0.00 C ATOM 75 O ALA A 387 -0.283 7.947 2.787 1.00 0.00 O ATOM 76 CB ALA A 387 -1.390 10.397 0.856 1.00 0.00 C ATOM 0 H ALA A 387 -2.389 8.934 -0.843 1.00 0.00 H new ATOM 0 HA ALA A 387 0.085 8.896 0.483 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -0.839 10.849 1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -1.166 10.933 -0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -2.459 10.455 1.059 1.00 0.00 H new ATOM 82 N GLU A 388 -2.463 7.778 2.226 1.00 0.00 N ATOM 83 CA GLU A 388 -2.830 7.009 3.405 1.00 0.00 C ATOM 84 C GLU A 388 -2.082 5.681 3.436 1.00 0.00 C ATOM 85 O GLU A 388 -1.379 5.392 4.387 1.00 0.00 O ATOM 86 CB GLU A 388 -4.340 6.764 3.440 1.00 0.00 C ATOM 87 CG GLU A 388 -5.150 7.982 3.855 1.00 0.00 C ATOM 88 CD GLU A 388 -5.003 8.308 5.331 1.00 0.00 C ATOM 89 OE1 GLU A 388 -3.870 8.591 5.781 1.00 0.00 O ATOM 90 OE2 GLU A 388 -6.015 8.263 6.055 1.00 0.00 O ATOM 0 H GLU A 388 -3.239 7.971 1.593 1.00 0.00 H new ATOM 0 HA GLU A 388 -2.550 7.586 4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.669 6.440 2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -4.550 5.947 4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.834 8.842 3.264 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.202 7.808 3.628 1.00 0.00 H new ATOM 97 N CYS A 389 -2.173 4.922 2.357 1.00 0.00 N ATOM 98 CA CYS A 389 -1.464 3.650 2.240 1.00 0.00 C ATOM 99 C CYS A 389 0.059 3.854 2.312 1.00 0.00 C ATOM 100 O CYS A 389 0.771 3.048 2.900 1.00 0.00 O ATOM 101 CB CYS A 389 -1.875 2.973 0.927 1.00 0.00 C ATOM 102 SG CYS A 389 -0.922 1.487 0.480 1.00 0.00 S ATOM 0 H CYS A 389 -2.735 5.164 1.541 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.735 3.006 3.076 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -2.929 2.702 0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -1.783 3.699 0.119 1.00 0.00 H new ATOM 107 N ASN A 390 0.540 4.971 1.774 1.00 0.00 N ATOM 108 CA ASN A 390 1.972 5.286 1.782 1.00 0.00 C ATOM 109 C ASN A 390 2.552 5.374 3.196 1.00 0.00 C ATOM 110 O ASN A 390 3.754 5.168 3.381 1.00 0.00 O ATOM 111 CB ASN A 390 2.245 6.603 1.048 1.00 0.00 C ATOM 112 CG ASN A 390 2.301 6.464 -0.466 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.347 7.462 -1.184 1.00 0.00 O ATOM 114 ND2 ASN A 390 2.326 5.240 -0.968 1.00 0.00 N ATOM 0 H ASN A 390 -0.041 5.678 1.324 1.00 0.00 H new ATOM 0 HA ASN A 390 2.465 4.462 1.266 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.467 7.321 1.309 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.191 7.015 1.401 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.385 5.104 -1.977 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.286 4.433 -0.346 1.00 0.00 H new ATOM 121 N LYS A 391 1.736 5.760 4.175 1.00 0.00 N ATOM 122 CA LYS A 391 2.229 5.932 5.545 1.00 0.00 C ATOM 123 C LYS A 391 2.594 4.584 6.166 1.00 0.00 C ATOM 124 O LYS A 391 3.504 4.502 6.992 1.00 0.00 O ATOM 125 CB LYS A 391 1.211 6.676 6.424 1.00 0.00 C ATOM 126 CG LYS A 391 0.004 5.853 6.838 1.00 0.00 C ATOM 127 CD LYS A 391 -1.110 6.737 7.380 1.00 0.00 C ATOM 128 CE LYS A 391 -2.407 5.963 7.548 1.00 0.00 C ATOM 129 NZ LYS A 391 -3.548 6.852 7.906 1.00 0.00 N ATOM 0 H LYS A 391 0.743 5.958 4.051 1.00 0.00 H new ATOM 0 HA LYS A 391 3.130 6.543 5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 391 1.718 7.029 7.322 1.00 0.00 H new ATOM 0 HB3 LYS A 391 0.864 7.558 5.886 1.00 0.00 H new ATOM 0 HG2 LYS A 391 -0.363 5.286 5.982 1.00 0.00 H new ATOM 0 HG3 LYS A 391 0.298 5.129 7.598 1.00 0.00 H new ATOM 0 HD2 LYS A 391 -0.808 7.156 8.340 1.00 0.00 H new ATOM 0 HD3 LYS A 391 -1.271 7.576 6.703 1.00 0.00 H new ATOM 0 HE2 LYS A 391 -2.636 5.435 6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 391 -2.280 5.207 8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -4.443 6.342 7.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 -3.466 7.137 8.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -3.532 7.698 7.302 1.00 0.00 H new ATOM 143 N ILE A 392 1.906 3.531 5.735 1.00 0.00 N ATOM 144 CA ILE A 392 2.177 2.183 6.210 1.00 0.00 C ATOM 145 C ILE A 392 3.592 1.761 5.813 1.00 0.00 C ATOM 146 O ILE A 392 4.037 2.016 4.693 1.00 0.00 O ATOM 147 CB ILE A 392 1.158 1.152 5.652 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.273 1.426 6.143 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.564 -0.259 6.052 1.00 0.00 C ATOM 150 CD1 ILE A 392 -0.907 2.683 5.604 1.00 0.00 C ATOM 0 H ILE A 392 1.151 3.589 5.052 1.00 0.00 H new ATOM 0 HA ILE A 392 2.082 2.198 7.296 1.00 0.00 H new ATOM 0 HB ILE A 392 1.167 1.250 4.566 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.901 0.577 5.874 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -0.262 1.482 7.232 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.842 -0.972 5.655 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.552 -0.481 5.649 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.589 -0.336 7.139 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -1.914 2.786 6.009 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -0.309 3.546 5.896 1.00 0.00 H new ATOM 0 HD13 ILE A 392 -0.958 2.627 4.517 1.00 0.00 H new ATOM 162 N THR A 393 4.324 1.205 6.761 1.00 0.00 N ATOM 163 CA THR A 393 5.709 0.832 6.531 1.00 0.00 C ATOM 164 C THR A 393 5.880 -0.688 6.578 1.00 0.00 C ATOM 165 O THR A 393 6.842 -1.228 6.035 1.00 0.00 O ATOM 166 CB THR A 393 6.641 1.515 7.560 1.00 0.00 C ATOM 167 OG1 THR A 393 8.014 1.314 7.205 1.00 0.00 O ATOM 168 CG2 THR A 393 6.395 0.993 8.968 1.00 0.00 C ATOM 0 H THR A 393 3.982 1.001 7.700 1.00 0.00 H new ATOM 0 HA THR A 393 5.988 1.176 5.535 1.00 0.00 H new ATOM 0 HB THR A 393 6.417 2.582 7.546 1.00 0.00 H new ATOM 0 HG1 THR A 393 8.590 1.753 7.865 1.00 0.00 H new ATOM 0 HG21 THR A 393 7.067 1.495 9.665 1.00 0.00 H new ATOM 0 HG22 THR A 393 5.362 1.191 9.254 1.00 0.00 H new ATOM 0 HG23 THR A 393 6.580 -0.081 8.995 1.00 0.00 H new ATOM 176 N GLU A 394 4.957 -1.371 7.249 1.00 0.00 N ATOM 177 CA GLU A 394 5.030 -2.822 7.382 1.00 0.00 C ATOM 178 C GLU A 394 4.215 -3.526 6.302 1.00 0.00 C ATOM 179 O GLU A 394 3.053 -3.192 6.075 1.00 0.00 O ATOM 180 CB GLU A 394 4.541 -3.257 8.762 1.00 0.00 C ATOM 181 CG GLU A 394 5.407 -2.753 9.905 1.00 0.00 C ATOM 182 CD GLU A 394 6.825 -3.293 9.862 1.00 0.00 C ATOM 183 OE1 GLU A 394 7.144 -4.102 8.965 1.00 0.00 O ATOM 184 OE2 GLU A 394 7.632 -2.914 10.735 1.00 0.00 O ATOM 0 H GLU A 394 4.152 -0.944 7.708 1.00 0.00 H new ATOM 0 HA GLU A 394 6.075 -3.109 7.262 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.521 -2.899 8.906 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.505 -4.346 8.798 1.00 0.00 H new ATOM 0 HG2 GLU A 394 5.439 -1.664 9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 394 4.947 -3.033 10.852 1.00 0.00 H new ATOM 191 N GLU A 395 4.801 -4.564 5.716 1.00 0.00 N ATOM 192 CA GLU A 395 4.129 -5.388 4.722 1.00 0.00 C ATOM 193 C GLU A 395 2.857 -6.043 5.284 1.00 0.00 C ATOM 194 O GLU A 395 1.809 -5.977 4.646 1.00 0.00 O ATOM 195 CB GLU A 395 5.087 -6.458 4.186 1.00 0.00 C ATOM 196 CG GLU A 395 4.430 -7.443 3.233 1.00 0.00 C ATOM 197 CD GLU A 395 5.415 -8.417 2.620 1.00 0.00 C ATOM 198 OE1 GLU A 395 6.634 -8.266 2.838 1.00 0.00 O ATOM 199 OE2 GLU A 395 4.973 -9.338 1.908 1.00 0.00 O ATOM 0 H GLU A 395 5.757 -4.857 5.918 1.00 0.00 H new ATOM 0 HA GLU A 395 3.826 -4.735 3.904 1.00 0.00 H new ATOM 0 HB2 GLU A 395 5.915 -5.968 3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.512 -7.007 5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 395 3.661 -8.000 3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 395 3.929 -6.892 2.437 1.00 0.00 H new ATOM 206 N PRO A 396 2.908 -6.675 6.482 1.00 0.00 N ATOM 207 CA PRO A 396 1.731 -7.330 7.063 1.00 0.00 C ATOM 208 C PRO A 396 0.565 -6.360 7.241 1.00 0.00 C ATOM 209 O PRO A 396 -0.575 -6.679 6.902 1.00 0.00 O ATOM 210 CB PRO A 396 2.218 -7.848 8.422 1.00 0.00 C ATOM 211 CG PRO A 396 3.490 -7.121 8.693 1.00 0.00 C ATOM 212 CD PRO A 396 4.090 -6.821 7.354 1.00 0.00 C ATOM 0 HA PRO A 396 1.352 -8.122 6.417 1.00 0.00 H new ATOM 0 HB2 PRO A 396 1.482 -7.655 9.202 1.00 0.00 H new ATOM 0 HB3 PRO A 396 2.380 -8.926 8.396 1.00 0.00 H new ATOM 0 HG2 PRO A 396 3.303 -6.203 9.251 1.00 0.00 H new ATOM 0 HG3 PRO A 396 4.165 -7.728 9.295 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.690 -5.911 7.376 1.00 0.00 H new ATOM 0 HD3 PRO A 396 4.743 -7.625 7.016 1.00 0.00 H new ATOM 220 N LYS A 397 0.869 -5.149 7.699 1.00 0.00 N ATOM 221 CA LYS A 397 -0.145 -4.113 7.856 1.00 0.00 C ATOM 222 C LYS A 397 -0.644 -3.650 6.496 1.00 0.00 C ATOM 223 O LYS A 397 -1.847 -3.532 6.273 1.00 0.00 O ATOM 224 CB LYS A 397 0.415 -2.913 8.622 1.00 0.00 C ATOM 225 CG LYS A 397 1.009 -3.256 9.976 1.00 0.00 C ATOM 226 CD LYS A 397 1.316 -1.997 10.775 1.00 0.00 C ATOM 227 CE LYS A 397 0.236 -1.691 11.806 1.00 0.00 C ATOM 228 NZ LYS A 397 -1.127 -1.635 11.212 1.00 0.00 N ATOM 0 H LYS A 397 1.810 -4.862 7.968 1.00 0.00 H new ATOM 0 HA LYS A 397 -0.973 -4.540 8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.182 -2.434 8.013 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -0.382 -2.183 8.763 1.00 0.00 H new ATOM 0 HG2 LYS A 397 0.313 -3.883 10.533 1.00 0.00 H new ATOM 0 HG3 LYS A 397 1.922 -3.836 9.840 1.00 0.00 H new ATOM 0 HD2 LYS A 397 2.275 -2.114 11.280 1.00 0.00 H new ATOM 0 HD3 LYS A 397 1.415 -1.152 10.094 1.00 0.00 H new ATOM 0 HE2 LYS A 397 0.257 -2.453 12.585 1.00 0.00 H new ATOM 0 HE3 LYS A 397 0.458 -0.738 12.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 -1.805 -1.308 11.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 -1.129 -0.975 10.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 -1.401 -2.582 10.882 1.00 0.00 H new ATOM 242 N CYS A 398 0.299 -3.392 5.597 1.00 0.00 N ATOM 243 CA CYS A 398 -0.002 -2.913 4.250 1.00 0.00 C ATOM 244 C CYS A 398 -0.906 -3.896 3.519 1.00 0.00 C ATOM 245 O CYS A 398 -1.875 -3.507 2.871 1.00 0.00 O ATOM 246 CB CYS A 398 1.306 -2.719 3.474 1.00 0.00 C ATOM 247 SG CYS A 398 1.135 -1.775 1.929 1.00 0.00 S ATOM 0 H CYS A 398 1.296 -3.509 5.780 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.526 -1.960 4.322 1.00 0.00 H new ATOM 0 HB2 CYS A 398 2.023 -2.210 4.118 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.724 -3.698 3.242 1.00 0.00 H new ATOM 252 N SER A 399 -0.603 -5.173 3.674 1.00 0.00 N ATOM 253 CA SER A 399 -1.380 -6.234 3.065 1.00 0.00 C ATOM 254 C SER A 399 -2.808 -6.276 3.627 1.00 0.00 C ATOM 255 O SER A 399 -3.746 -6.641 2.921 1.00 0.00 O ATOM 256 CB SER A 399 -0.664 -7.569 3.273 1.00 0.00 C ATOM 257 OG SER A 399 -0.211 -8.101 2.035 1.00 0.00 O ATOM 0 H SER A 399 0.189 -5.502 4.226 1.00 0.00 H new ATOM 0 HA SER A 399 -1.466 -6.039 1.996 1.00 0.00 H new ATOM 0 HB2 SER A 399 0.183 -7.431 3.945 1.00 0.00 H new ATOM 0 HB3 SER A 399 -1.340 -8.278 3.752 1.00 0.00 H new ATOM 0 HG SER A 399 0.245 -8.954 2.193 1.00 0.00 H new ATOM 263 N GLU A 400 -2.969 -5.881 4.882 1.00 0.00 N ATOM 264 CA GLU A 400 -4.285 -5.864 5.520 1.00 0.00 C ATOM 265 C GLU A 400 -5.093 -4.623 5.129 1.00 0.00 C ATOM 266 O GLU A 400 -6.323 -4.648 5.152 1.00 0.00 O ATOM 267 CB GLU A 400 -4.143 -5.925 7.038 1.00 0.00 C ATOM 268 CG GLU A 400 -3.549 -7.226 7.551 1.00 0.00 C ATOM 269 CD GLU A 400 -4.457 -8.421 7.340 1.00 0.00 C ATOM 270 OE1 GLU A 400 -4.671 -8.824 6.177 1.00 0.00 O ATOM 271 OE2 GLU A 400 -4.960 -8.967 8.344 1.00 0.00 O ATOM 0 H GLU A 400 -2.206 -5.567 5.482 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.824 -6.743 5.168 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.516 -5.096 7.368 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -5.124 -5.782 7.491 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -2.599 -7.407 7.049 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -3.333 -7.125 8.615 1.00 0.00 H new ATOM 278 N GLU A 401 -4.395 -3.523 4.864 1.00 0.00 N ATOM 279 CA GLU A 401 -5.032 -2.238 4.568 1.00 0.00 C ATOM 280 C GLU A 401 -6.060 -2.342 3.443 1.00 0.00 C ATOM 281 O GLU A 401 -5.858 -3.065 2.461 1.00 0.00 O ATOM 282 CB GLU A 401 -3.971 -1.208 4.193 1.00 0.00 C ATOM 283 CG GLU A 401 -3.104 -0.768 5.358 1.00 0.00 C ATOM 284 CD GLU A 401 -3.828 0.164 6.307 1.00 0.00 C ATOM 285 OE1 GLU A 401 -4.925 0.646 5.952 1.00 0.00 O ATOM 286 OE2 GLU A 401 -3.292 0.445 7.400 1.00 0.00 O ATOM 0 H GLU A 401 -3.376 -3.494 4.848 1.00 0.00 H new ATOM 0 HA GLU A 401 -5.560 -1.926 5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.332 -1.625 3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.462 -0.333 3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -2.766 -1.647 5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -2.214 -0.270 4.975 1.00 0.00 H new ATOM 293 N LYS A 402 -7.148 -1.590 3.590 1.00 0.00 N ATOM 294 CA LYS A 402 -8.206 -1.539 2.593 1.00 0.00 C ATOM 295 C LYS A 402 -7.682 -0.921 1.300 1.00 0.00 C ATOM 296 O LYS A 402 -7.130 0.185 1.315 1.00 0.00 O ATOM 297 CB LYS A 402 -9.382 -0.715 3.137 1.00 0.00 C ATOM 298 CG LYS A 402 -10.552 -0.583 2.176 1.00 0.00 C ATOM 299 CD LYS A 402 -11.289 -1.902 2.001 1.00 0.00 C ATOM 300 CE LYS A 402 -12.586 -1.725 1.222 1.00 0.00 C ATOM 301 NZ LYS A 402 -12.351 -1.258 -0.171 1.00 0.00 N ATOM 0 H LYS A 402 -7.318 -1.000 4.405 1.00 0.00 H new ATOM 0 HA LYS A 402 -8.547 -2.552 2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.736 -1.174 4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -9.024 0.282 3.394 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -11.244 0.174 2.547 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -10.190 -0.237 1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -10.646 -2.612 1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -11.508 -2.329 2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -13.125 -2.672 1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -13.223 -1.008 1.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -13.260 -1.185 -0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -11.891 -0.326 -0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -11.738 -1.937 -0.666 1.00 0.00 H new ATOM 315 N ILE A 403 -7.839 -1.668 0.204 1.00 0.00 N ATOM 316 CA ILE A 403 -7.385 -1.273 -1.135 1.00 0.00 C ATOM 317 C ILE A 403 -5.969 -0.668 -1.112 1.00 0.00 C ATOM 318 O ILE A 403 -5.644 0.279 -1.830 1.00 0.00 O ATOM 319 CB ILE A 403 -8.412 -0.344 -1.848 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.092 -0.244 -3.343 1.00 0.00 C ATOM 321 CG2 ILE A 403 -8.470 1.042 -1.217 1.00 0.00 C ATOM 322 CD1 ILE A 403 -9.169 0.438 -4.153 1.00 0.00 C ATOM 0 H ILE A 403 -8.293 -2.581 0.221 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.323 -2.185 -1.729 1.00 0.00 H new ATOM 0 HB ILE A 403 -9.397 -0.793 -1.725 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -7.156 0.300 -3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -7.933 -1.247 -3.739 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -9.200 1.653 -1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -8.763 0.954 -0.171 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -7.488 1.512 -1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -8.870 0.471 -5.201 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -10.102 -0.118 -4.059 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -9.313 1.454 -3.785 1.00 0.00 H new ATOM 334 N CYS A 404 -5.099 -1.315 -0.358 1.00 0.00 N ATOM 335 CA CYS A 404 -3.699 -0.938 -0.279 1.00 0.00 C ATOM 336 C CYS A 404 -2.854 -2.201 -0.302 1.00 0.00 C ATOM 337 O CYS A 404 -3.334 -3.270 0.079 1.00 0.00 O ATOM 338 CB CYS A 404 -3.463 -0.107 0.981 1.00 0.00 C ATOM 339 SG CYS A 404 -1.745 -0.018 1.563 1.00 0.00 S ATOM 0 H CYS A 404 -5.344 -2.120 0.219 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.413 -0.321 -1.131 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -3.816 0.907 0.795 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -4.077 -0.516 1.783 1.00 0.00 H new ATOM 344 N SER A 405 -1.718 -2.142 -0.976 1.00 0.00 N ATOM 345 CA SER A 405 -0.960 -3.353 -1.267 1.00 0.00 C ATOM 346 C SER A 405 0.544 -3.100 -1.240 1.00 0.00 C ATOM 347 O SER A 405 1.005 -1.989 -1.513 1.00 0.00 O ATOM 348 CB SER A 405 -1.380 -3.902 -2.631 1.00 0.00 C ATOM 349 OG SER A 405 -2.783 -4.129 -2.670 1.00 0.00 O ATOM 0 H SER A 405 -1.302 -1.281 -1.330 1.00 0.00 H new ATOM 0 HA SER A 405 -1.180 -4.086 -0.491 1.00 0.00 H new ATOM 0 HB2 SER A 405 -1.098 -3.198 -3.414 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.850 -4.833 -2.833 1.00 0.00 H new ATOM 0 HG SER A 405 -3.055 -4.340 -3.588 1.00 0.00 H new ATOM 355 N TRP A 406 1.289 -4.121 -0.836 1.00 0.00 N ATOM 356 CA TRP A 406 2.731 -4.006 -0.682 1.00 0.00 C ATOM 357 C TRP A 406 3.458 -4.168 -2.015 1.00 0.00 C ATOM 358 O TRP A 406 3.296 -5.169 -2.710 1.00 0.00 O ATOM 359 CB TRP A 406 3.244 -5.054 0.304 1.00 0.00 C ATOM 360 CG TRP A 406 4.667 -4.827 0.721 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.758 -5.569 0.369 1.00 0.00 C ATOM 362 CD2 TRP A 406 5.151 -3.797 1.592 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.886 -5.057 0.956 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.538 -3.971 1.714 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.542 -2.742 2.277 1.00 0.00 C ATOM 366 CZ2 TRP A 406 7.329 -3.130 2.493 1.00 0.00 C ATOM 367 CZ3 TRP A 406 5.328 -1.910 3.050 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.705 -2.108 3.151 1.00 0.00 C ATOM 0 H TRP A 406 0.915 -5.042 -0.608 1.00 0.00 H new ATOM 0 HA TRP A 406 2.937 -3.006 -0.299 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.608 -5.052 1.189 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.158 -6.042 -0.148 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.735 -6.434 -0.278 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.831 -5.425 0.846 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.477 -2.580 2.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 8.395 -3.280 2.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.869 -1.092 3.585 1.00 0.00 H new ATOM 0 HH2 TRP A 406 7.291 -1.438 3.763 1.00 0.00 H new ATOM 379 N HIS A 407 4.336 -3.220 -2.289 1.00 0.00 N ATOM 380 CA HIS A 407 5.222 -3.253 -3.444 1.00 0.00 C ATOM 381 C HIS A 407 6.569 -3.805 -2.987 1.00 0.00 C ATOM 382 O HIS A 407 7.238 -3.187 -2.160 1.00 0.00 O ATOM 383 CB HIS A 407 5.382 -1.821 -3.968 1.00 0.00 C ATOM 384 CG HIS A 407 5.720 -1.675 -5.414 1.00 0.00 C ATOM 385 ND1 HIS A 407 6.852 -2.194 -5.989 1.00 0.00 N ATOM 386 CD2 HIS A 407 5.094 -0.974 -6.388 1.00 0.00 C ATOM 387 CE1 HIS A 407 6.916 -1.813 -7.247 1.00 0.00 C ATOM 388 NE2 HIS A 407 5.860 -1.076 -7.518 1.00 0.00 N ATOM 0 H HIS A 407 4.457 -2.391 -1.707 1.00 0.00 H new ATOM 0 HA HIS A 407 4.821 -3.882 -4.239 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.453 -1.283 -3.779 1.00 0.00 H new ATOM 0 HB3 HIS A 407 6.160 -1.329 -3.384 1.00 0.00 H new ATOM 0 HD1 HIS A 407 7.537 -2.783 -5.516 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.163 -0.435 -6.292 1.00 0.00 H new ATOM 0 HE1 HIS A 407 7.704 -2.064 -7.942 1.00 0.00 H new ATOM 397 N LYS A 408 6.862 -5.042 -3.361 1.00 0.00 N ATOM 398 CA LYS A 408 8.022 -5.743 -2.811 1.00 0.00 C ATOM 399 C LYS A 408 9.335 -5.091 -3.237 1.00 0.00 C ATOM 400 O LYS A 408 10.059 -4.541 -2.405 1.00 0.00 O ATOM 401 CB LYS A 408 8.004 -7.212 -3.236 1.00 0.00 C ATOM 402 CG LYS A 408 6.770 -7.967 -2.766 1.00 0.00 C ATOM 403 CD LYS A 408 6.778 -9.409 -3.250 1.00 0.00 C ATOM 404 CE LYS A 408 7.907 -10.215 -2.625 1.00 0.00 C ATOM 405 NZ LYS A 408 7.749 -10.358 -1.153 1.00 0.00 N ATOM 0 H LYS A 408 6.320 -5.581 -4.037 1.00 0.00 H new ATOM 0 HA LYS A 408 7.958 -5.680 -1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 408 8.062 -7.268 -4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 408 8.893 -7.706 -2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 408 6.724 -7.948 -1.677 1.00 0.00 H new ATOM 0 HG3 LYS A 408 5.874 -7.465 -3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 408 5.823 -9.877 -3.010 1.00 0.00 H new ATOM 0 HD3 LYS A 408 6.878 -9.426 -4.335 1.00 0.00 H new ATOM 0 HE2 LYS A 408 7.941 -11.204 -3.082 1.00 0.00 H new ATOM 0 HE3 LYS A 408 8.859 -9.731 -2.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 8.416 -11.074 -0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 7.944 -9.446 -0.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 6.776 -10.654 -0.935 1.00 0.00 H new ATOM 419 N GLU A 409 9.622 -5.122 -4.527 1.00 0.00 N ATOM 420 CA GLU A 409 10.816 -4.481 -5.060 1.00 0.00 C ATOM 421 C GLU A 409 10.438 -3.114 -5.611 1.00 0.00 C ATOM 422 O GLU A 409 9.429 -2.995 -6.301 1.00 0.00 O ATOM 423 CB GLU A 409 11.439 -5.360 -6.151 1.00 0.00 C ATOM 424 CG GLU A 409 12.766 -4.846 -6.699 1.00 0.00 C ATOM 425 CD GLU A 409 13.882 -4.846 -5.671 1.00 0.00 C ATOM 426 OE1 GLU A 409 13.612 -5.103 -4.481 1.00 0.00 O ATOM 427 OE2 GLU A 409 15.038 -4.578 -6.050 1.00 0.00 O ATOM 0 H GLU A 409 9.044 -5.585 -5.228 1.00 0.00 H new ATOM 0 HA GLU A 409 11.555 -4.353 -4.270 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.590 -6.362 -5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 409 10.731 -5.450 -6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 409 13.063 -5.462 -7.548 1.00 0.00 H new ATOM 0 HG3 GLU A 409 12.628 -3.832 -7.074 1.00 0.00 H new ATOM 434 N VAL A 410 11.155 -2.075 -5.207 1.00 0.00 N ATOM 435 CA VAL A 410 10.784 -0.716 -5.581 1.00 0.00 C ATOM 436 C VAL A 410 11.955 0.059 -6.165 1.00 0.00 C ATOM 437 O VAL A 410 13.097 -0.071 -5.716 1.00 0.00 O ATOM 438 CB VAL A 410 10.215 0.080 -4.384 1.00 0.00 C ATOM 439 CG1 VAL A 410 8.910 -0.528 -3.902 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.221 0.147 -3.245 1.00 0.00 C ATOM 0 H VAL A 410 11.990 -2.144 -4.625 1.00 0.00 H new ATOM 0 HA VAL A 410 10.011 -0.824 -6.342 1.00 0.00 H new ATOM 0 HB VAL A 410 10.017 1.096 -4.725 1.00 0.00 H new ATOM 0 HG11 VAL A 410 8.529 0.049 -3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.181 -0.513 -4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 410 9.082 -1.558 -3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 410 10.795 0.712 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.460 -0.863 -2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.130 0.639 -3.591 1.00 0.00 H new ATOM 450 N LYS A 411 11.637 0.938 -7.101 1.00 0.00 N ATOM 451 CA LYS A 411 12.605 1.862 -7.659 1.00 0.00 C ATOM 452 C LYS A 411 12.521 3.188 -6.908 1.00 0.00 C ATOM 453 O LYS A 411 11.461 3.533 -6.379 1.00 0.00 O ATOM 454 CB LYS A 411 12.330 2.072 -9.152 1.00 0.00 C ATOM 455 CG LYS A 411 13.255 3.080 -9.814 1.00 0.00 C ATOM 456 CD LYS A 411 12.958 3.225 -11.298 1.00 0.00 C ATOM 457 CE LYS A 411 13.328 1.971 -12.073 1.00 0.00 C ATOM 458 NZ LYS A 411 14.789 1.701 -12.028 1.00 0.00 N ATOM 0 H LYS A 411 10.700 1.029 -7.494 1.00 0.00 H new ATOM 0 HA LYS A 411 13.609 1.452 -7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 411 12.424 1.116 -9.666 1.00 0.00 H new ATOM 0 HB3 LYS A 411 11.299 2.402 -9.278 1.00 0.00 H new ATOM 0 HG2 LYS A 411 13.148 4.048 -9.325 1.00 0.00 H new ATOM 0 HG3 LYS A 411 14.290 2.767 -9.679 1.00 0.00 H new ATOM 0 HD2 LYS A 411 11.898 3.439 -11.437 1.00 0.00 H new ATOM 0 HD3 LYS A 411 13.510 4.076 -11.698 1.00 0.00 H new ATOM 0 HE2 LYS A 411 12.789 1.118 -11.662 1.00 0.00 H new ATOM 0 HE3 LYS A 411 13.011 2.079 -13.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 15.036 1.004 -12.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 15.311 2.584 -12.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 15.044 1.326 -11.092 1.00 0.00 H new ATOM 472 N ALA A 412 13.620 3.932 -6.864 1.00 0.00 N ATOM 473 CA ALA A 412 13.624 5.232 -6.209 1.00 0.00 C ATOM 474 C ALA A 412 12.592 6.146 -6.854 1.00 0.00 C ATOM 475 O ALA A 412 12.493 6.220 -8.084 1.00 0.00 O ATOM 476 CB ALA A 412 15.006 5.859 -6.270 1.00 0.00 C ATOM 0 H ALA A 412 14.514 3.659 -7.272 1.00 0.00 H new ATOM 0 HA ALA A 412 13.361 5.094 -5.160 1.00 0.00 H new ATOM 0 HB1 ALA A 412 14.987 6.830 -5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 412 15.723 5.209 -5.768 1.00 0.00 H new ATOM 0 HB3 ALA A 412 15.301 5.988 -7.311 1.00 0.00 H new ATOM 482 N GLY A 413 11.729 6.714 -6.031 1.00 0.00 N ATOM 483 CA GLY A 413 10.626 7.496 -6.545 1.00 0.00 C ATOM 484 C GLY A 413 9.298 6.825 -6.279 1.00 0.00 C ATOM 485 O GLY A 413 8.305 7.495 -5.992 1.00 0.00 O ATOM 0 H GLY A 413 11.772 6.648 -5.014 1.00 0.00 H new ATOM 0 HA2 GLY A 413 10.634 8.484 -6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 413 10.752 7.643 -7.618 1.00 0.00 H new ATOM 489 N GLU A 414 9.296 5.496 -6.314 1.00 0.00 N ATOM 490 CA GLU A 414 8.101 4.718 -6.007 1.00 0.00 C ATOM 491 C GLU A 414 7.889 4.626 -4.498 1.00 0.00 C ATOM 492 O GLU A 414 8.404 5.446 -3.733 1.00 0.00 O ATOM 493 CB GLU A 414 8.220 3.311 -6.602 1.00 0.00 C ATOM 494 CG GLU A 414 8.150 3.276 -8.120 1.00 0.00 C ATOM 495 CD GLU A 414 8.455 1.905 -8.688 1.00 0.00 C ATOM 496 OE1 GLU A 414 8.968 1.044 -7.942 1.00 0.00 O ATOM 497 OE2 GLU A 414 8.192 1.685 -9.893 1.00 0.00 O ATOM 0 H GLU A 414 10.113 4.933 -6.553 1.00 0.00 H new ATOM 0 HA GLU A 414 7.242 5.223 -6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 414 9.164 2.870 -6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 414 7.423 2.687 -6.197 1.00 0.00 H new ATOM 0 HG2 GLU A 414 7.155 3.585 -8.441 1.00 0.00 H new ATOM 0 HG3 GLU A 414 8.855 3.999 -8.529 1.00 0.00 H new ATOM 504 N LYS A 415 7.162 3.606 -4.070 1.00 0.00 N ATOM 505 CA LYS A 415 6.885 3.401 -2.660 1.00 0.00 C ATOM 506 C LYS A 415 6.459 1.960 -2.432 1.00 0.00 C ATOM 507 O LYS A 415 5.753 1.386 -3.261 1.00 0.00 O ATOM 508 CB LYS A 415 5.777 4.349 -2.194 1.00 0.00 C ATOM 509 CG LYS A 415 5.684 4.489 -0.685 1.00 0.00 C ATOM 510 CD LYS A 415 6.919 5.167 -0.120 1.00 0.00 C ATOM 511 CE LYS A 415 6.782 5.435 1.369 1.00 0.00 C ATOM 512 NZ LYS A 415 7.955 6.174 1.905 1.00 0.00 N ATOM 0 H LYS A 415 6.751 2.904 -4.685 1.00 0.00 H new ATOM 0 HA LYS A 415 7.788 3.609 -2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 415 5.946 5.333 -2.631 1.00 0.00 H new ATOM 0 HB3 LYS A 415 4.821 3.991 -2.576 1.00 0.00 H new ATOM 0 HG2 LYS A 415 4.797 5.067 -0.425 1.00 0.00 H new ATOM 0 HG3 LYS A 415 5.567 3.504 -0.232 1.00 0.00 H new ATOM 0 HD2 LYS A 415 7.792 4.539 -0.298 1.00 0.00 H new ATOM 0 HD3 LYS A 415 7.090 6.107 -0.645 1.00 0.00 H new ATOM 0 HE2 LYS A 415 5.875 6.010 1.553 1.00 0.00 H new ATOM 0 HE3 LYS A 415 6.674 4.490 1.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 7.826 6.339 2.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 8.818 5.614 1.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 8.043 7.087 1.415 1.00 0.00 H new ATOM 526 N ASN A 416 6.948 1.350 -1.359 1.00 0.00 N ATOM 527 CA ASN A 416 6.627 -0.042 -1.076 1.00 0.00 C ATOM 528 C ASN A 416 5.148 -0.191 -0.753 1.00 0.00 C ATOM 529 O ASN A 416 4.395 -0.755 -1.525 1.00 0.00 O ATOM 530 CB ASN A 416 7.462 -0.593 0.082 1.00 0.00 C ATOM 531 CG ASN A 416 8.932 -0.734 -0.255 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.667 0.253 -0.330 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.365 -1.962 -0.487 1.00 0.00 N ATOM 0 H ASN A 416 7.563 1.793 -0.676 1.00 0.00 H new ATOM 0 HA ASN A 416 6.865 -0.617 -1.971 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.355 0.066 0.944 1.00 0.00 H new ATOM 0 HB3 ASN A 416 7.068 -1.566 0.374 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.341 -2.120 -0.739 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.723 -2.751 -0.414 1.00 0.00 H new ATOM 540 N CYS A 417 4.688 0.434 0.304 1.00 0.00 N ATOM 541 CA CYS A 417 3.261 0.439 0.563 1.00 0.00 C ATOM 542 C CYS A 417 2.619 1.544 -0.267 1.00 0.00 C ATOM 543 O CYS A 417 3.024 2.703 -0.171 1.00 0.00 O ATOM 544 CB CYS A 417 2.982 0.635 2.051 1.00 0.00 C ATOM 545 SG CYS A 417 1.302 0.149 2.548 1.00 0.00 S ATOM 0 H CYS A 417 5.259 0.934 0.985 1.00 0.00 H new ATOM 0 HA CYS A 417 2.832 -0.522 0.279 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.704 0.056 2.627 1.00 0.00 H new ATOM 0 HB3 CYS A 417 3.138 1.683 2.306 1.00 0.00 H new ATOM 550 N GLN A 418 1.720 1.178 -1.178 1.00 0.00 N ATOM 551 CA GLN A 418 1.160 2.151 -2.104 1.00 0.00 C ATOM 552 C GLN A 418 -0.221 1.720 -2.593 1.00 0.00 C ATOM 553 O GLN A 418 -0.554 0.532 -2.600 1.00 0.00 O ATOM 554 CB GLN A 418 2.120 2.371 -3.292 1.00 0.00 C ATOM 555 CG GLN A 418 1.729 1.658 -4.586 1.00 0.00 C ATOM 556 CD GLN A 418 1.871 0.142 -4.539 1.00 0.00 C ATOM 557 OE1 GLN A 418 1.425 -0.559 -5.448 1.00 0.00 O ATOM 558 NE2 GLN A 418 2.519 -0.374 -3.511 1.00 0.00 N ATOM 0 H GLN A 418 1.369 0.227 -1.292 1.00 0.00 H new ATOM 0 HA GLN A 418 1.040 3.096 -1.574 1.00 0.00 H new ATOM 0 HB2 GLN A 418 2.186 3.441 -3.491 1.00 0.00 H new ATOM 0 HB3 GLN A 418 3.116 2.039 -3.000 1.00 0.00 H new ATOM 0 HG2 GLN A 418 0.695 1.906 -4.825 1.00 0.00 H new ATOM 0 HG3 GLN A 418 2.345 2.043 -5.399 1.00 0.00 H new ATOM 0 HE21 GLN A 418 2.876 0.235 -2.775 1.00 0.00 H new ATOM 0 HE22 GLN A 418 2.663 -1.382 -3.453 1.00 0.00 H new ATOM 567 N PHE A 419 -1.025 2.703 -2.964 1.00 0.00 N ATOM 568 CA PHE A 419 -2.372 2.466 -3.459 1.00 0.00 C ATOM 569 C PHE A 419 -2.320 1.598 -4.714 1.00 0.00 C ATOM 570 O PHE A 419 -1.625 1.934 -5.675 1.00 0.00 O ATOM 571 CB PHE A 419 -3.026 3.809 -3.779 1.00 0.00 C ATOM 572 CG PHE A 419 -4.507 3.747 -3.994 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.338 3.238 -3.014 1.00 0.00 C ATOM 574 CD2 PHE A 419 -5.066 4.211 -5.173 1.00 0.00 C ATOM 575 CE1 PHE A 419 -6.705 3.188 -3.207 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.431 4.161 -5.371 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.251 3.651 -4.385 1.00 0.00 C ATOM 0 H PHE A 419 -0.763 3.688 -2.931 1.00 0.00 H new ATOM 0 HA PHE A 419 -2.956 1.946 -2.700 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -2.819 4.502 -2.963 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.559 4.221 -4.674 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -4.915 2.876 -2.089 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.428 4.616 -5.945 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.345 2.786 -2.436 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -6.857 4.520 -6.296 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.320 3.615 -4.536 1.00 0.00 H new ATOM 587 N ASN A 420 -2.996 0.455 -4.680 1.00 0.00 N ATOM 588 CA ASN A 420 -2.949 -0.484 -5.800 1.00 0.00 C ATOM 589 C ASN A 420 -3.726 0.044 -7.003 1.00 0.00 C ATOM 590 O ASN A 420 -3.431 -0.323 -8.136 1.00 0.00 O ATOM 591 CB ASN A 420 -3.444 -1.885 -5.401 1.00 0.00 C ATOM 592 CG ASN A 420 -4.851 -1.914 -4.828 1.00 0.00 C ATOM 593 OD1 ASN A 420 -5.809 -1.454 -5.451 1.00 0.00 O ATOM 594 ND2 ASN A 420 -4.988 -2.501 -3.650 1.00 0.00 N ATOM 0 H ASN A 420 -3.579 0.156 -3.898 1.00 0.00 H new ATOM 0 HA ASN A 420 -1.902 -0.578 -6.088 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -3.408 -2.533 -6.277 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -2.757 -2.304 -4.666 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -5.912 -2.585 -3.226 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -4.170 -2.869 -3.166 1.00 0.00 H new ATOM 601 N SER A 421 -4.687 0.934 -6.745 1.00 0.00 N ATOM 602 CA SER A 421 -5.472 1.571 -7.802 1.00 0.00 C ATOM 603 C SER A 421 -6.328 0.548 -8.551 1.00 0.00 C ATOM 604 O SER A 421 -5.863 -0.093 -9.496 1.00 0.00 O ATOM 605 CB SER A 421 -4.547 2.316 -8.775 1.00 0.00 C ATOM 606 OG SER A 421 -5.276 2.950 -9.815 1.00 0.00 O ATOM 0 H SER A 421 -4.941 1.231 -5.803 1.00 0.00 H new ATOM 0 HA SER A 421 -6.146 2.290 -7.336 1.00 0.00 H new ATOM 0 HB2 SER A 421 -3.970 3.062 -8.229 1.00 0.00 H new ATOM 0 HB3 SER A 421 -3.833 1.615 -9.207 1.00 0.00 H new ATOM 0 HG SER A 421 -4.655 3.415 -10.413 1.00 0.00 H new ATOM 612 N THR A 422 -7.598 0.458 -8.154 1.00 0.00 N ATOM 613 CA THR A 422 -8.597 -0.413 -8.789 1.00 0.00 C ATOM 614 C THR A 422 -8.119 -1.860 -8.953 1.00 0.00 C ATOM 615 O THR A 422 -8.659 -2.607 -9.768 1.00 0.00 O ATOM 616 CB THR A 422 -9.059 0.140 -10.161 1.00 0.00 C ATOM 617 OG1 THR A 422 -7.935 0.397 -11.013 1.00 0.00 O ATOM 618 CG2 THR A 422 -9.865 1.418 -9.984 1.00 0.00 C ATOM 0 H THR A 422 -7.971 0.995 -7.371 1.00 0.00 H new ATOM 0 HA THR A 422 -9.445 -0.420 -8.104 1.00 0.00 H new ATOM 0 HB THR A 422 -9.690 -0.617 -10.627 1.00 0.00 H new ATOM 0 HG1 THR A 422 -7.153 -0.090 -10.679 1.00 0.00 H new ATOM 0 HG21 THR A 422 -10.179 1.788 -10.960 1.00 0.00 H new ATOM 0 HG22 THR A 422 -10.745 1.212 -9.374 1.00 0.00 H new ATOM 0 HG23 THR A 422 -9.250 2.171 -9.491 1.00 0.00 H new ATOM 626 N LYS A 423 -7.183 -2.283 -8.116 1.00 0.00 N ATOM 627 CA LYS A 423 -6.743 -3.667 -8.129 1.00 0.00 C ATOM 628 C LYS A 423 -7.577 -4.463 -7.138 1.00 0.00 C ATOM 629 O LYS A 423 -8.209 -5.458 -7.494 1.00 0.00 O ATOM 630 CB LYS A 423 -5.254 -3.770 -7.788 1.00 0.00 C ATOM 631 CG LYS A 423 -4.719 -5.194 -7.810 1.00 0.00 C ATOM 632 CD LYS A 423 -4.875 -5.840 -9.178 1.00 0.00 C ATOM 633 CE LYS A 423 -4.016 -5.159 -10.231 1.00 0.00 C ATOM 634 NZ LYS A 423 -4.177 -5.787 -11.569 1.00 0.00 N ATOM 0 H LYS A 423 -6.718 -1.693 -7.426 1.00 0.00 H new ATOM 0 HA LYS A 423 -6.880 -4.077 -9.130 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -4.686 -3.167 -8.496 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -5.086 -3.343 -6.799 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -3.666 -5.190 -7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -5.245 -5.791 -7.065 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -4.603 -6.894 -9.114 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -5.921 -5.798 -9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -4.283 -4.104 -10.291 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -2.969 -5.206 -9.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -3.575 -5.294 -12.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -3.898 -6.788 -11.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -5.171 -5.720 -11.867 1.00 0.00 H new ATOM 648 N ALA A 424 -7.691 -3.923 -5.934 1.00 0.00 N ATOM 649 CA ALA A 424 -8.557 -4.492 -4.915 1.00 0.00 C ATOM 650 C ALA A 424 -9.954 -3.890 -5.014 1.00 0.00 C ATOM 651 O ALA A 424 -10.462 -3.300 -4.061 1.00 0.00 O ATOM 652 CB ALA A 424 -7.969 -4.263 -3.535 1.00 0.00 C ATOM 0 H ALA A 424 -7.190 -3.085 -5.638 1.00 0.00 H new ATOM 0 HA ALA A 424 -8.634 -5.567 -5.079 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -8.629 -4.695 -2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -6.989 -4.737 -3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -7.866 -3.193 -3.356 1.00 0.00 H new ATOM 658 N SER A 425 -10.534 -3.967 -6.203 1.00 0.00 N ATOM 659 CA SER A 425 -11.842 -3.386 -6.457 1.00 0.00 C ATOM 660 C SER A 425 -12.665 -4.325 -7.325 1.00 0.00 C ATOM 661 O SER A 425 -13.183 -3.939 -8.375 1.00 0.00 O ATOM 662 CB SER A 425 -11.688 -2.028 -7.139 1.00 0.00 C ATOM 663 OG SER A 425 -10.810 -1.197 -6.401 1.00 0.00 O ATOM 0 H SER A 425 -10.116 -4.429 -7.010 1.00 0.00 H new ATOM 0 HA SER A 425 -12.359 -3.242 -5.508 1.00 0.00 H new ATOM 0 HB2 SER A 425 -11.305 -2.164 -8.150 1.00 0.00 H new ATOM 0 HB3 SER A 425 -12.662 -1.548 -7.229 1.00 0.00 H new ATOM 0 HG SER A 425 -11.064 -0.259 -6.527 1.00 0.00 H new ATOM 669 N LYS A 426 -12.726 -5.580 -6.903 1.00 0.00 N ATOM 670 CA LYS A 426 -13.435 -6.613 -7.645 1.00 0.00 C ATOM 671 C LYS A 426 -14.937 -6.367 -7.609 1.00 0.00 C ATOM 672 O LYS A 426 -15.637 -6.593 -8.598 1.00 0.00 O ATOM 673 CB LYS A 426 -13.114 -7.994 -7.067 1.00 0.00 C ATOM 674 CG LYS A 426 -11.625 -8.309 -7.023 1.00 0.00 C ATOM 675 CD LYS A 426 -10.995 -8.273 -8.406 1.00 0.00 C ATOM 676 CE LYS A 426 -11.620 -9.302 -9.330 1.00 0.00 C ATOM 677 NZ LYS A 426 -10.969 -9.325 -10.665 1.00 0.00 N ATOM 0 H LYS A 426 -12.289 -5.910 -6.042 1.00 0.00 H new ATOM 0 HA LYS A 426 -13.104 -6.578 -8.683 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -13.520 -8.059 -6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -13.619 -8.754 -7.663 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -11.121 -7.591 -6.376 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -11.476 -9.295 -6.582 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -11.114 -7.278 -8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -9.924 -8.459 -8.324 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -11.546 -10.289 -8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -12.681 -9.084 -9.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -11.428 -10.042 -11.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -11.061 -8.391 -11.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -9.961 -9.559 -10.556 1.00 0.00 H new ATOM 691 N SER A 427 -15.423 -5.898 -6.469 1.00 0.00 N ATOM 692 CA SER A 427 -16.832 -5.614 -6.299 1.00 0.00 C ATOM 693 C SER A 427 -17.023 -4.731 -5.072 1.00 0.00 C ATOM 694 O SER A 427 -18.085 -4.087 -4.957 1.00 0.00 O ATOM 695 CB SER A 427 -17.623 -6.921 -6.151 1.00 0.00 C ATOM 696 OG SER A 427 -19.017 -6.708 -6.314 1.00 0.00 O ATOM 697 OXT SER A 427 -16.094 -4.671 -4.236 1.00 0.00 O ATOM 0 H SER A 427 -14.854 -5.706 -5.645 1.00 0.00 H new ATOM 0 HA SER A 427 -17.205 -5.089 -7.178 1.00 0.00 H new ATOM 0 HB2 SER A 427 -17.276 -7.643 -6.890 1.00 0.00 H new ATOM 0 HB3 SER A 427 -17.433 -7.353 -5.169 1.00 0.00 H new ATOM 0 HG SER A 427 -19.492 -7.560 -6.215 1.00 0.00 H new TER 703 SER A 427