USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 469 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 396 ASN : amide:sc= 0.35 X(o=0.69,f=1.1) USER MOD Set 1.2: A 420 TYR OH : rot 180:sc= 0.343 USER MOD Set 2.1: A 390 TYR OH : rot 150:sc= -0.265 USER MOD Set 2.2: A 402 HIS : no HE2:sc= -3.18 K(o=-3.4,f=-11!) USER MOD Single : A 388 LYS NZ :NH3+ -171:sc=-0.00704 (180deg=-0.0916) USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 398 TYR OH : rot -105:sc= 0.868 USER MOD Single : A 399 ASN : amide:sc= -0.99 K(o=-0.99,f=-7.3!) USER MOD Single : A 400 GLN :FLIP amide:sc= -0.0038 F(o=-1.3!,f=-0.0038) USER MOD Single : A 401 ASN : amide:sc= -0.369 K(o=-0.37,f=-1.1) USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 GLN : amide:sc= -1.49 K(o=-1.5,f=-4!) USER MOD Single : A 410 LYS NZ :NH3+ 143:sc= -0.0139 (180deg=-0.197) USER MOD Single : A 411 SER OG : rot 180:sc= -0.521 USER MOD Single : A 417 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-2.3!) USER MOD Single : A 424 LYS NZ :NH3+ -161:sc= -0.104 (180deg=-0.468) USER MOD Single : A 426 GLN :FLIP amide:sc=-0.000758 F(o=-1.2,f=-0.00076) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 434 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 437 SER OG : rot 88:sc= 0.653 USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 387 16.791 0.823 -3.184 1.00 0.00 N ATOM 21 CA ARG A 387 15.412 0.778 -3.607 1.00 0.00 C ATOM 22 C ARG A 387 14.513 1.362 -2.525 1.00 0.00 C ATOM 23 O ARG A 387 13.934 0.631 -1.728 1.00 0.00 O ATOM 24 CB ARG A 387 15.008 -0.663 -3.913 1.00 0.00 C ATOM 25 CG ARG A 387 15.728 -1.267 -5.109 1.00 0.00 C ATOM 26 CD ARG A 387 15.032 -0.929 -6.423 1.00 0.00 C ATOM 27 NE ARG A 387 14.951 0.510 -6.672 1.00 0.00 N ATOM 28 CZ ARG A 387 13.849 1.125 -7.105 1.00 0.00 C ATOM 29 NH1 ARG A 387 12.735 0.430 -7.320 1.00 0.00 N ATOM 30 NH2 ARG A 387 13.869 2.434 -7.332 1.00 0.00 N ATOM 0 HA ARG A 387 15.298 1.374 -4.512 1.00 0.00 H new ATOM 0 HB2 ARG A 387 15.204 -1.279 -3.035 1.00 0.00 H new ATOM 0 HB3 ARG A 387 13.934 -0.698 -4.093 1.00 0.00 H new ATOM 0 HG2 ARG A 387 16.754 -0.901 -5.137 1.00 0.00 H new ATOM 0 HG3 ARG A 387 15.779 -2.350 -4.993 1.00 0.00 H new ATOM 0 HD2 ARG A 387 15.567 -1.405 -7.245 1.00 0.00 H new ATOM 0 HD3 ARG A 387 14.026 -1.348 -6.413 1.00 0.00 H new ATOM 0 HE ARG A 387 15.784 1.075 -6.505 1.00 0.00 H new ATOM 0 HH11 ARG A 387 12.722 -0.576 -7.154 1.00 0.00 H new ATOM 0 HH12 ARG A 387 11.894 0.903 -7.651 1.00 0.00 H new ATOM 0 HH21 ARG A 387 14.725 2.966 -7.175 1.00 0.00 H new ATOM 0 HH22 ARG A 387 13.028 2.907 -7.663 1.00 0.00 H new ATOM 44 N LYS A 388 14.446 2.684 -2.459 1.00 0.00 N ATOM 45 CA LYS A 388 13.471 3.329 -1.597 1.00 0.00 C ATOM 46 C LYS A 388 12.194 3.533 -2.384 1.00 0.00 C ATOM 47 O LYS A 388 12.225 3.941 -3.547 1.00 0.00 O ATOM 48 CB LYS A 388 13.973 4.660 -1.057 1.00 0.00 C ATOM 49 CG LYS A 388 15.322 4.567 -0.365 1.00 0.00 C ATOM 50 CD LYS A 388 15.646 5.843 0.392 1.00 0.00 C ATOM 51 CE LYS A 388 15.718 7.046 -0.536 1.00 0.00 C ATOM 52 NZ LYS A 388 16.808 6.924 -1.544 1.00 0.00 N ATOM 0 H LYS A 388 15.046 3.321 -2.984 1.00 0.00 H new ATOM 0 HA LYS A 388 13.292 2.686 -0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 388 14.044 5.372 -1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 388 13.240 5.057 -0.354 1.00 0.00 H new ATOM 0 HG2 LYS A 388 15.321 3.723 0.325 1.00 0.00 H new ATOM 0 HG3 LYS A 388 16.099 4.374 -1.104 1.00 0.00 H new ATOM 0 HD2 LYS A 388 14.886 6.017 1.154 1.00 0.00 H new ATOM 0 HD3 LYS A 388 16.597 5.726 0.911 1.00 0.00 H new ATOM 0 HE2 LYS A 388 14.764 7.162 -1.050 1.00 0.00 H new ATOM 0 HE3 LYS A 388 15.874 7.948 0.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 16.915 7.826 -2.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 17.700 6.688 -1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 16.571 6.172 -2.223 1.00 0.00 H new ATOM 66 N CYS A 389 11.085 3.256 -1.754 1.00 0.00 N ATOM 67 CA CYS A 389 9.821 3.187 -2.452 1.00 0.00 C ATOM 68 C CYS A 389 8.924 4.355 -2.096 1.00 0.00 C ATOM 69 O CYS A 389 8.809 4.742 -0.931 1.00 0.00 O ATOM 70 CB CYS A 389 9.143 1.872 -2.105 1.00 0.00 C ATOM 71 SG CYS A 389 10.262 0.445 -2.247 1.00 0.00 S ATOM 0 H CYS A 389 11.027 3.073 -0.752 1.00 0.00 H new ATOM 0 HA CYS A 389 10.007 3.240 -3.525 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.756 1.925 -1.087 1.00 0.00 H new ATOM 0 HB3 CYS A 389 8.287 1.724 -2.764 1.00 0.00 H new ATOM 76 N TYR A 390 8.299 4.918 -3.111 1.00 0.00 N ATOM 77 CA TYR A 390 7.370 6.010 -2.924 1.00 0.00 C ATOM 78 C TYR A 390 5.944 5.480 -2.972 1.00 0.00 C ATOM 79 O TYR A 390 5.561 4.778 -3.912 1.00 0.00 O ATOM 80 CB TYR A 390 7.592 7.075 -4.003 1.00 0.00 C ATOM 81 CG TYR A 390 6.694 8.282 -3.860 1.00 0.00 C ATOM 82 CD1 TYR A 390 6.992 9.286 -2.948 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.550 8.413 -4.632 1.00 0.00 C ATOM 84 CE1 TYR A 390 6.172 10.387 -2.810 1.00 0.00 C ATOM 85 CE2 TYR A 390 4.724 9.509 -4.502 1.00 0.00 C ATOM 86 CZ TYR A 390 5.039 10.495 -3.589 1.00 0.00 C ATOM 87 OH TYR A 390 4.214 11.586 -3.448 1.00 0.00 O ATOM 0 H TYR A 390 8.421 4.632 -4.082 1.00 0.00 H new ATOM 0 HA TYR A 390 7.538 6.470 -1.950 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.632 7.401 -3.971 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.429 6.626 -4.983 1.00 0.00 H new ATOM 0 HD1 TYR A 390 7.879 9.204 -2.337 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.302 7.643 -5.348 1.00 0.00 H new ATOM 0 HE1 TYR A 390 6.416 11.160 -2.096 1.00 0.00 H new ATOM 0 HE2 TYR A 390 3.836 9.596 -5.111 1.00 0.00 H new ATOM 0 HH TYR A 390 3.773 11.775 -4.302 1.00 0.00 H new ATOM 97 N PHE A 391 5.169 5.794 -1.948 1.00 0.00 N ATOM 98 CA PHE A 391 3.792 5.334 -1.868 1.00 0.00 C ATOM 99 C PHE A 391 2.927 6.107 -2.858 1.00 0.00 C ATOM 100 O PHE A 391 2.957 7.333 -2.871 1.00 0.00 O ATOM 101 CB PHE A 391 3.256 5.530 -0.450 1.00 0.00 C ATOM 102 CG PHE A 391 2.112 4.615 -0.110 1.00 0.00 C ATOM 103 CD1 PHE A 391 2.349 3.369 0.446 1.00 0.00 C ATOM 104 CD2 PHE A 391 0.802 5.000 -0.347 1.00 0.00 C ATOM 105 CE1 PHE A 391 1.302 2.525 0.758 1.00 0.00 C ATOM 106 CE2 PHE A 391 -0.249 4.159 -0.038 1.00 0.00 C ATOM 107 CZ PHE A 391 0.001 2.920 0.516 1.00 0.00 C ATOM 0 H PHE A 391 5.470 6.366 -1.159 1.00 0.00 H new ATOM 0 HA PHE A 391 3.759 4.273 -2.117 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.065 5.367 0.262 1.00 0.00 H new ATOM 0 HB3 PHE A 391 2.931 6.564 -0.332 1.00 0.00 H new ATOM 0 HD1 PHE A 391 3.364 3.054 0.638 1.00 0.00 H new ATOM 0 HD2 PHE A 391 0.601 5.969 -0.779 1.00 0.00 H new ATOM 0 HE1 PHE A 391 1.500 1.556 1.191 1.00 0.00 H new ATOM 0 HE2 PHE A 391 -1.265 4.471 -0.230 1.00 0.00 H new ATOM 0 HZ PHE A 391 -0.819 2.261 0.760 1.00 0.00 H new ATOM 117 N PRO A 392 2.148 5.407 -3.699 1.00 0.00 N ATOM 118 CA PRO A 392 1.318 6.040 -4.730 1.00 0.00 C ATOM 119 C PRO A 392 -0.001 6.584 -4.190 1.00 0.00 C ATOM 120 O PRO A 392 -0.518 6.126 -3.172 1.00 0.00 O ATOM 121 CB PRO A 392 1.068 4.898 -5.708 1.00 0.00 C ATOM 122 CG PRO A 392 1.053 3.675 -4.857 1.00 0.00 C ATOM 123 CD PRO A 392 2.012 3.935 -3.721 1.00 0.00 C ATOM 0 HA PRO A 392 1.807 6.910 -5.168 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.123 5.027 -6.235 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.850 4.845 -6.465 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.050 3.476 -4.480 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.358 2.799 -5.430 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.624 3.556 -2.776 1.00 0.00 H new ATOM 0 HD3 PRO A 392 2.972 3.448 -3.890 1.00 0.00 H new ATOM 131 N TYR A 393 -0.511 7.601 -4.869 1.00 0.00 N ATOM 132 CA TYR A 393 -1.785 8.207 -4.522 1.00 0.00 C ATOM 133 C TYR A 393 -2.932 7.428 -5.155 1.00 0.00 C ATOM 134 O TYR A 393 -2.941 7.191 -6.366 1.00 0.00 O ATOM 135 CB TYR A 393 -1.801 9.660 -4.993 1.00 0.00 C ATOM 136 CG TYR A 393 -3.054 10.427 -4.623 1.00 0.00 C ATOM 137 CD1 TYR A 393 -3.222 10.927 -3.340 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.057 10.661 -5.557 1.00 0.00 C ATOM 139 CE1 TYR A 393 -4.354 11.641 -2.993 1.00 0.00 C ATOM 140 CE2 TYR A 393 -5.194 11.373 -5.217 1.00 0.00 C ATOM 141 CZ TYR A 393 -5.337 11.860 -3.934 1.00 0.00 C ATOM 142 OH TYR A 393 -6.459 12.582 -3.595 1.00 0.00 O ATOM 0 H TYR A 393 -0.053 8.028 -5.674 1.00 0.00 H new ATOM 0 HA TYR A 393 -1.913 8.181 -3.440 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -0.938 10.175 -4.572 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -1.686 9.679 -6.077 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -2.455 10.756 -2.599 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -3.947 10.282 -6.562 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -4.467 12.025 -1.990 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -5.966 11.547 -5.952 1.00 0.00 H new ATOM 0 HH TYR A 393 -7.053 12.647 -4.371 1.00 0.00 H new ATOM 152 N LEU A 394 -3.886 7.022 -4.334 1.00 0.00 N ATOM 153 CA LEU A 394 -5.044 6.292 -4.806 1.00 0.00 C ATOM 154 C LEU A 394 -6.199 7.234 -5.100 1.00 0.00 C ATOM 155 O LEU A 394 -6.404 8.226 -4.409 1.00 0.00 O ATOM 156 CB LEU A 394 -5.493 5.270 -3.756 1.00 0.00 C ATOM 157 CG LEU A 394 -4.662 3.996 -3.644 1.00 0.00 C ATOM 158 CD1 LEU A 394 -4.091 3.604 -4.985 1.00 0.00 C ATOM 159 CD2 LEU A 394 -3.567 4.156 -2.609 1.00 0.00 C ATOM 0 H LEU A 394 -3.878 7.189 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.759 5.778 -5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.497 5.761 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.523 4.987 -3.975 1.00 0.00 H new ATOM 0 HG LEU A 394 -5.319 3.191 -3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -3.503 2.693 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -4.904 3.430 -5.690 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -3.453 4.406 -5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -2.988 3.235 -2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -2.912 4.978 -2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -4.013 4.370 -1.638 1.00 0.00 H new ATOM 171 N GLU A 395 -6.960 6.910 -6.126 1.00 0.00 N ATOM 172 CA GLU A 395 -8.210 7.599 -6.380 1.00 0.00 C ATOM 173 C GLU A 395 -9.343 6.798 -5.760 1.00 0.00 C ATOM 174 O GLU A 395 -10.509 6.932 -6.140 1.00 0.00 O ATOM 175 CB GLU A 395 -8.437 7.782 -7.880 1.00 0.00 C ATOM 176 CG GLU A 395 -7.453 8.746 -8.518 1.00 0.00 C ATOM 177 CD GLU A 395 -7.756 9.009 -9.975 1.00 0.00 C ATOM 178 OE1 GLU A 395 -8.846 9.543 -10.272 1.00 0.00 O ATOM 179 OE2 GLU A 395 -6.914 8.675 -10.833 1.00 0.00 O ATOM 0 H GLU A 395 -6.736 6.175 -6.797 1.00 0.00 H new ATOM 0 HA GLU A 395 -8.174 8.592 -5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -8.360 6.813 -8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -9.451 8.145 -8.046 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -7.469 9.689 -7.972 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -6.445 8.342 -8.428 1.00 0.00 H new ATOM 186 N ASN A 396 -8.975 5.959 -4.796 1.00 0.00 N ATOM 187 CA ASN A 396 -9.916 5.045 -4.167 1.00 0.00 C ATOM 188 C ASN A 396 -9.764 5.066 -2.646 1.00 0.00 C ATOM 189 O ASN A 396 -10.740 4.868 -1.923 1.00 0.00 O ATOM 190 CB ASN A 396 -9.714 3.620 -4.695 1.00 0.00 C ATOM 191 CG ASN A 396 -9.782 3.540 -6.211 1.00 0.00 C ATOM 192 OD1 ASN A 396 -8.763 3.643 -6.895 1.00 0.00 O ATOM 193 ND2 ASN A 396 -10.977 3.363 -6.751 1.00 0.00 N ATOM 0 H ASN A 396 -8.024 5.895 -4.433 1.00 0.00 H new ATOM 0 HA ASN A 396 -10.924 5.375 -4.418 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -8.747 3.246 -4.359 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -10.474 2.967 -4.267 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -11.075 3.308 -7.765 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -11.800 3.282 -6.154 1.00 0.00 H new ATOM 200 N GLY A 397 -8.545 5.298 -2.154 1.00 0.00 N ATOM 201 CA GLY A 397 -8.351 5.413 -0.718 1.00 0.00 C ATOM 202 C GLY A 397 -6.922 5.234 -0.273 1.00 0.00 C ATOM 203 O GLY A 397 -5.998 5.493 -1.019 1.00 0.00 O ATOM 0 H GLY A 397 -7.701 5.407 -2.716 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -8.702 6.392 -0.392 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -8.972 4.670 -0.218 1.00 0.00 H new ATOM 207 N TYR A 398 -6.782 4.784 0.976 1.00 0.00 N ATOM 208 CA TYR A 398 -5.549 4.251 1.547 1.00 0.00 C ATOM 209 C TYR A 398 -4.252 4.969 1.162 1.00 0.00 C ATOM 210 O TYR A 398 -3.181 4.366 1.203 1.00 0.00 O ATOM 211 CB TYR A 398 -5.445 2.752 1.240 1.00 0.00 C ATOM 212 CG TYR A 398 -6.199 2.272 -0.001 1.00 0.00 C ATOM 213 CD1 TYR A 398 -7.587 2.346 -0.063 1.00 0.00 C ATOM 214 CD2 TYR A 398 -5.532 1.756 -1.103 1.00 0.00 C ATOM 215 CE1 TYR A 398 -8.288 1.926 -1.170 1.00 0.00 C ATOM 216 CE2 TYR A 398 -6.227 1.332 -2.225 1.00 0.00 C ATOM 217 CZ TYR A 398 -7.605 1.418 -2.251 1.00 0.00 C ATOM 218 OH TYR A 398 -8.304 1.009 -3.363 1.00 0.00 O ATOM 0 H TYR A 398 -7.556 4.782 1.641 1.00 0.00 H new ATOM 0 HA TYR A 398 -5.638 4.433 2.618 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -4.392 2.497 1.123 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -5.814 2.197 2.103 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -8.130 2.744 0.782 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -4.455 1.684 -1.086 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -9.366 1.995 -1.190 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -5.693 0.936 -3.076 1.00 0.00 H new ATOM 0 HH TYR A 398 -8.334 0.030 -3.388 1.00 0.00 H new ATOM 228 N ASN A 399 -4.318 6.248 0.833 1.00 0.00 N ATOM 229 CA ASN A 399 -3.105 7.020 0.630 1.00 0.00 C ATOM 230 C ASN A 399 -2.830 7.896 1.823 1.00 0.00 C ATOM 231 O ASN A 399 -2.474 9.064 1.692 1.00 0.00 O ATOM 232 CB ASN A 399 -3.129 7.850 -0.653 1.00 0.00 C ATOM 233 CG ASN A 399 -4.489 8.412 -1.012 1.00 0.00 C ATOM 234 OD1 ASN A 399 -4.859 8.443 -2.175 1.00 0.00 O ATOM 235 ND2 ASN A 399 -5.221 8.908 -0.031 1.00 0.00 N ATOM 0 H ASN A 399 -5.186 6.768 0.702 1.00 0.00 H new ATOM 0 HA ASN A 399 -2.294 6.300 0.517 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -2.424 8.675 -0.550 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -2.776 7.231 -1.478 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -6.125 9.333 -0.234 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -4.882 8.866 0.930 1.00 0.00 H new ATOM 242 N GLN A 400 -2.998 7.314 2.998 1.00 0.00 N ATOM 243 CA GLN A 400 -2.556 7.950 4.220 1.00 0.00 C ATOM 244 C GLN A 400 -1.040 7.996 4.203 1.00 0.00 C ATOM 245 O GLN A 400 -0.410 8.814 4.871 1.00 0.00 O ATOM 246 CB GLN A 400 -3.028 7.157 5.432 1.00 0.00 C ATOM 247 CG GLN A 400 -4.523 6.898 5.453 1.00 0.00 C ATOM 248 CD GLN A 400 -4.948 6.028 6.618 1.00 0.00 C ATOM 249 OE1 GLN A 400 -4.063 5.147 7.066 1.00 0.00 O flip ATOM 250 NE2 GLN A 400 -6.065 6.147 7.115 1.00 0.00 N flip ATOM 0 H GLN A 400 -3.437 6.403 3.128 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.971 8.956 4.285 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -2.503 6.202 5.456 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -2.750 7.696 6.338 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -5.052 7.850 5.503 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -4.818 6.418 4.520 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -6.718 6.836 6.743 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -6.339 5.557 7.900 1.00 0.00 H new ATOM 259 N ASN A 401 -0.472 7.104 3.399 1.00 0.00 N ATOM 260 CA ASN A 401 0.962 6.929 3.336 1.00 0.00 C ATOM 261 C ASN A 401 1.539 7.564 2.079 1.00 0.00 C ATOM 262 O ASN A 401 2.753 7.616 1.916 1.00 0.00 O ATOM 263 CB ASN A 401 1.313 5.444 3.352 1.00 0.00 C ATOM 264 CG ASN A 401 0.539 4.661 4.396 1.00 0.00 C ATOM 265 OD1 ASN A 401 0.240 5.162 5.481 1.00 0.00 O ATOM 266 ND2 ASN A 401 0.184 3.430 4.063 1.00 0.00 N ATOM 0 H ASN A 401 -0.996 6.488 2.778 1.00 0.00 H new ATOM 0 HA ASN A 401 1.394 7.420 4.208 1.00 0.00 H new ATOM 0 HB2 ASN A 401 1.116 5.019 2.368 1.00 0.00 H new ATOM 0 HB3 ASN A 401 2.381 5.331 3.539 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -0.356 2.861 4.715 1.00 0.00 H new ATOM 0 HD22 ASN A 401 0.451 3.050 3.155 1.00 0.00 H new ATOM 273 N HIS A 402 0.682 8.014 1.162 1.00 0.00 N ATOM 274 CA HIS A 402 1.176 8.684 -0.033 1.00 0.00 C ATOM 275 C HIS A 402 1.856 9.994 0.336 1.00 0.00 C ATOM 276 O HIS A 402 1.486 10.658 1.302 1.00 0.00 O ATOM 277 CB HIS A 402 0.069 8.918 -1.057 1.00 0.00 C ATOM 278 CG HIS A 402 0.515 9.728 -2.239 1.00 0.00 C ATOM 279 ND1 HIS A 402 1.298 9.248 -3.264 1.00 0.00 N ATOM 280 CD2 HIS A 402 0.288 11.010 -2.529 1.00 0.00 C ATOM 281 CE1 HIS A 402 1.525 10.216 -4.134 1.00 0.00 C ATOM 282 NE2 HIS A 402 0.919 11.297 -3.707 1.00 0.00 N ATOM 0 H HIS A 402 -0.333 7.929 1.223 1.00 0.00 H new ATOM 0 HA HIS A 402 1.909 8.026 -0.499 1.00 0.00 H new ATOM 0 HB2 HIS A 402 -0.304 7.955 -1.405 1.00 0.00 H new ATOM 0 HB3 HIS A 402 -0.764 9.425 -0.571 1.00 0.00 H new ATOM 0 HD1 HIS A 402 1.649 8.293 -3.340 1.00 0.00 H new ATOM 0 HD2 HIS A 402 -0.293 11.701 -1.936 1.00 0.00 H new ATOM 0 HE1 HIS A 402 2.108 10.131 -5.039 1.00 0.00 H new ATOM 291 N GLY A 403 2.852 10.345 -0.455 1.00 0.00 N ATOM 292 CA GLY A 403 3.687 11.488 -0.150 1.00 0.00 C ATOM 293 C GLY A 403 4.844 11.094 0.741 1.00 0.00 C ATOM 294 O GLY A 403 5.684 11.920 1.096 1.00 0.00 O ATOM 0 H GLY A 403 3.102 9.854 -1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.067 11.922 -1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.091 12.257 0.341 1.00 0.00 H new ATOM 298 N ARG A 404 4.883 9.817 1.092 1.00 0.00 N ATOM 299 CA ARG A 404 5.892 9.294 1.994 1.00 0.00 C ATOM 300 C ARG A 404 6.761 8.273 1.284 1.00 0.00 C ATOM 301 O ARG A 404 6.345 7.664 0.292 1.00 0.00 O ATOM 302 CB ARG A 404 5.215 8.660 3.206 1.00 0.00 C ATOM 303 CG ARG A 404 4.282 9.618 3.914 1.00 0.00 C ATOM 304 CD ARG A 404 3.544 8.953 5.060 1.00 0.00 C ATOM 305 NE ARG A 404 2.624 9.883 5.710 1.00 0.00 N ATOM 306 CZ ARG A 404 2.647 10.176 7.008 1.00 0.00 C ATOM 307 NH1 ARG A 404 3.605 9.693 7.789 1.00 0.00 N ATOM 308 NH2 ARG A 404 1.730 10.983 7.521 1.00 0.00 N ATOM 0 H ARG A 404 4.218 9.119 0.760 1.00 0.00 H new ATOM 0 HA ARG A 404 6.529 10.113 2.327 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.655 7.781 2.887 1.00 0.00 H new ATOM 0 HB3 ARG A 404 5.977 8.316 3.905 1.00 0.00 H new ATOM 0 HG2 ARG A 404 4.853 10.465 4.294 1.00 0.00 H new ATOM 0 HG3 ARG A 404 3.560 10.015 3.200 1.00 0.00 H new ATOM 0 HD2 ARG A 404 2.990 8.091 4.687 1.00 0.00 H new ATOM 0 HD3 ARG A 404 4.262 8.579 5.790 1.00 0.00 H new ATOM 0 HE ARG A 404 1.918 10.338 5.131 1.00 0.00 H new ATOM 0 HH11 ARG A 404 4.330 9.093 7.395 1.00 0.00 H new ATOM 0 HH12 ARG A 404 3.616 9.922 8.783 1.00 0.00 H new ATOM 0 HH21 ARG A 404 1.007 11.380 6.921 1.00 0.00 H new ATOM 0 HH22 ARG A 404 1.747 11.208 8.516 1.00 0.00 H new ATOM 322 N LYS A 405 7.968 8.094 1.792 1.00 0.00 N ATOM 323 CA LYS A 405 8.916 7.170 1.206 1.00 0.00 C ATOM 324 C LYS A 405 9.328 6.115 2.220 1.00 0.00 C ATOM 325 O LYS A 405 9.681 6.433 3.359 1.00 0.00 O ATOM 326 CB LYS A 405 10.138 7.934 0.708 1.00 0.00 C ATOM 327 CG LYS A 405 9.816 8.910 -0.411 1.00 0.00 C ATOM 328 CD LYS A 405 11.023 9.743 -0.801 1.00 0.00 C ATOM 329 CE LYS A 405 10.669 10.742 -1.892 1.00 0.00 C ATOM 330 NZ LYS A 405 11.808 11.637 -2.226 1.00 0.00 N ATOM 0 H LYS A 405 8.315 8.583 2.617 1.00 0.00 H new ATOM 0 HA LYS A 405 8.443 6.666 0.363 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.582 8.479 1.541 1.00 0.00 H new ATOM 0 HB3 LYS A 405 10.886 7.223 0.357 1.00 0.00 H new ATOM 0 HG2 LYS A 405 9.459 8.359 -1.281 1.00 0.00 H new ATOM 0 HG3 LYS A 405 9.007 9.569 -0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 405 11.401 10.273 0.073 1.00 0.00 H new ATOM 0 HD3 LYS A 405 11.823 9.089 -1.148 1.00 0.00 H new ATOM 0 HE2 LYS A 405 10.357 10.204 -2.787 1.00 0.00 H new ATOM 0 HE3 LYS A 405 9.819 11.343 -1.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 11.521 12.300 -2.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 12.090 12.171 -1.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 12.611 11.067 -2.559 1.00 0.00 H new ATOM 344 N PHE A 406 9.263 4.865 1.801 1.00 0.00 N ATOM 345 CA PHE A 406 9.643 3.743 2.643 1.00 0.00 C ATOM 346 C PHE A 406 10.686 2.909 1.918 1.00 0.00 C ATOM 347 O PHE A 406 10.489 2.529 0.769 1.00 0.00 O ATOM 348 CB PHE A 406 8.423 2.875 2.966 1.00 0.00 C ATOM 349 CG PHE A 406 7.285 3.615 3.624 1.00 0.00 C ATOM 350 CD1 PHE A 406 6.315 4.243 2.857 1.00 0.00 C ATOM 351 CD2 PHE A 406 7.185 3.676 5.005 1.00 0.00 C ATOM 352 CE1 PHE A 406 5.268 4.917 3.456 1.00 0.00 C ATOM 353 CE2 PHE A 406 6.138 4.349 5.609 1.00 0.00 C ATOM 354 CZ PHE A 406 5.179 4.970 4.833 1.00 0.00 C ATOM 0 H PHE A 406 8.946 4.598 0.869 1.00 0.00 H new ATOM 0 HA PHE A 406 10.054 4.123 3.578 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.060 2.423 2.043 1.00 0.00 H new ATOM 0 HB3 PHE A 406 8.735 2.060 3.619 1.00 0.00 H new ATOM 0 HD1 PHE A 406 6.379 4.205 1.780 1.00 0.00 H new ATOM 0 HD2 PHE A 406 7.933 3.193 5.616 1.00 0.00 H new ATOM 0 HE1 PHE A 406 4.519 5.402 2.847 1.00 0.00 H new ATOM 0 HE2 PHE A 406 6.071 4.389 6.686 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.361 5.496 5.302 1.00 0.00 H new ATOM 364 N VAL A 407 11.799 2.641 2.578 1.00 0.00 N ATOM 365 CA VAL A 407 12.883 1.894 1.954 1.00 0.00 C ATOM 366 C VAL A 407 12.519 0.406 1.833 1.00 0.00 C ATOM 367 O VAL A 407 11.538 -0.049 2.420 1.00 0.00 O ATOM 368 CB VAL A 407 14.215 2.069 2.734 1.00 0.00 C ATOM 369 CG1 VAL A 407 14.194 1.298 4.043 1.00 0.00 C ATOM 370 CG2 VAL A 407 15.415 1.672 1.883 1.00 0.00 C ATOM 0 H VAL A 407 11.978 2.927 3.541 1.00 0.00 H new ATOM 0 HA VAL A 407 13.028 2.298 0.952 1.00 0.00 H new ATOM 0 HB VAL A 407 14.316 3.128 2.973 1.00 0.00 H new ATOM 0 HG11 VAL A 407 15.140 1.441 4.565 1.00 0.00 H new ATOM 0 HG12 VAL A 407 13.377 1.662 4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 407 14.049 0.237 3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 407 16.330 1.807 2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 407 15.322 0.627 1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 407 15.452 2.298 0.992 1.00 0.00 H new ATOM 380 N GLN A 408 13.294 -0.320 1.039 1.00 0.00 N ATOM 381 CA GLN A 408 13.120 -1.757 0.843 1.00 0.00 C ATOM 382 C GLN A 408 12.899 -2.485 2.167 1.00 0.00 C ATOM 383 O GLN A 408 13.675 -2.335 3.114 1.00 0.00 O ATOM 384 CB GLN A 408 14.379 -2.313 0.176 1.00 0.00 C ATOM 385 CG GLN A 408 14.165 -3.544 -0.677 1.00 0.00 C ATOM 386 CD GLN A 408 13.608 -3.176 -2.030 1.00 0.00 C ATOM 387 OE1 GLN A 408 12.802 -2.260 -2.154 1.00 0.00 O ATOM 388 NE2 GLN A 408 14.081 -3.839 -3.066 1.00 0.00 N ATOM 0 H GLN A 408 14.070 0.074 0.506 1.00 0.00 H new ATOM 0 HA GLN A 408 12.240 -1.915 0.220 1.00 0.00 H new ATOM 0 HB2 GLN A 408 14.817 -1.532 -0.445 1.00 0.00 H new ATOM 0 HB3 GLN A 408 15.107 -2.550 0.951 1.00 0.00 H new ATOM 0 HG2 GLN A 408 15.110 -4.073 -0.801 1.00 0.00 H new ATOM 0 HG3 GLN A 408 13.481 -4.226 -0.172 1.00 0.00 H new ATOM 0 HE21 GLN A 408 14.750 -4.596 -2.925 1.00 0.00 H new ATOM 0 HE22 GLN A 408 13.778 -3.596 -4.009 1.00 0.00 H new ATOM 397 N GLY A 409 11.840 -3.270 2.222 1.00 0.00 N ATOM 398 CA GLY A 409 11.558 -4.061 3.400 1.00 0.00 C ATOM 399 C GLY A 409 10.667 -3.355 4.402 1.00 0.00 C ATOM 400 O GLY A 409 10.229 -3.965 5.377 1.00 0.00 O ATOM 0 H GLY A 409 11.164 -3.376 1.466 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.083 -4.994 3.097 1.00 0.00 H new ATOM 0 HA3 GLY A 409 12.498 -4.325 3.884 1.00 0.00 H new ATOM 404 N LYS A 410 10.397 -2.076 4.181 1.00 0.00 N ATOM 405 CA LYS A 410 9.531 -1.327 5.071 1.00 0.00 C ATOM 406 C LYS A 410 8.080 -1.714 4.868 1.00 0.00 C ATOM 407 O LYS A 410 7.627 -1.930 3.741 1.00 0.00 O ATOM 408 CB LYS A 410 9.702 0.175 4.863 1.00 0.00 C ATOM 409 CG LYS A 410 11.024 0.722 5.370 1.00 0.00 C ATOM 410 CD LYS A 410 11.192 0.497 6.861 1.00 0.00 C ATOM 411 CE LYS A 410 12.487 1.109 7.375 1.00 0.00 C ATOM 412 NZ LYS A 410 12.483 2.596 7.263 1.00 0.00 N ATOM 0 H LYS A 410 10.765 -1.540 3.395 1.00 0.00 H new ATOM 0 HA LYS A 410 9.818 -1.573 6.093 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.613 0.397 3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.888 0.696 5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 410 11.844 0.243 4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 410 11.083 1.789 5.154 1.00 0.00 H new ATOM 0 HD2 LYS A 410 10.346 0.932 7.393 1.00 0.00 H new ATOM 0 HD3 LYS A 410 11.185 -0.572 7.072 1.00 0.00 H new ATOM 0 HE2 LYS A 410 12.635 0.824 8.417 1.00 0.00 H new ATOM 0 HE3 LYS A 410 13.328 0.705 6.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 12.968 3.007 8.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 12.977 2.880 6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 11.502 2.939 7.232 1.00 0.00 H new ATOM 426 N SER A 411 7.366 -1.805 5.972 1.00 0.00 N ATOM 427 CA SER A 411 5.970 -2.171 5.952 1.00 0.00 C ATOM 428 C SER A 411 5.113 -0.996 6.383 1.00 0.00 C ATOM 429 O SER A 411 5.605 -0.031 6.975 1.00 0.00 O ATOM 430 CB SER A 411 5.740 -3.368 6.870 1.00 0.00 C ATOM 431 OG SER A 411 4.367 -3.720 6.961 1.00 0.00 O ATOM 0 H SER A 411 7.739 -1.627 6.905 1.00 0.00 H new ATOM 0 HA SER A 411 5.686 -2.446 4.936 1.00 0.00 H new ATOM 0 HB2 SER A 411 6.308 -4.222 6.500 1.00 0.00 H new ATOM 0 HB3 SER A 411 6.121 -3.139 7.865 1.00 0.00 H new ATOM 0 HG SER A 411 4.266 -4.491 7.557 1.00 0.00 H new ATOM 437 N ILE A 412 3.835 -1.094 6.081 1.00 0.00 N ATOM 438 CA ILE A 412 2.879 -0.049 6.406 1.00 0.00 C ATOM 439 C ILE A 412 1.452 -0.544 6.153 1.00 0.00 C ATOM 440 O ILE A 412 1.216 -1.359 5.260 1.00 0.00 O ATOM 441 CB ILE A 412 3.163 1.239 5.590 1.00 0.00 C ATOM 442 CG1 ILE A 412 2.285 2.392 6.077 1.00 0.00 C ATOM 443 CG2 ILE A 412 2.957 1.002 4.099 1.00 0.00 C ATOM 444 CD1 ILE A 412 2.565 2.825 7.500 1.00 0.00 C ATOM 0 H ILE A 412 3.427 -1.898 5.604 1.00 0.00 H new ATOM 0 HA ILE A 412 2.984 0.196 7.463 1.00 0.00 H new ATOM 0 HB ILE A 412 4.207 1.510 5.747 1.00 0.00 H new ATOM 0 HG12 ILE A 412 2.426 3.246 5.415 1.00 0.00 H new ATOM 0 HG13 ILE A 412 1.239 2.096 5.998 1.00 0.00 H new ATOM 0 HG21 ILE A 412 3.163 1.922 3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.633 0.218 3.758 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.927 0.696 3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 412 1.901 3.647 7.768 1.00 0.00 H new ATOM 0 HD12 ILE A 412 2.396 1.986 8.175 1.00 0.00 H new ATOM 0 HD13 ILE A 412 3.601 3.154 7.583 1.00 0.00 H new ATOM 456 N ASP A 413 0.518 -0.077 6.972 1.00 0.00 N ATOM 457 CA ASP A 413 -0.881 -0.492 6.884 1.00 0.00 C ATOM 458 C ASP A 413 -1.630 0.239 5.780 1.00 0.00 C ATOM 459 O ASP A 413 -1.300 1.371 5.413 1.00 0.00 O ATOM 460 CB ASP A 413 -1.603 -0.278 8.220 1.00 0.00 C ATOM 461 CG ASP A 413 -1.255 1.047 8.871 1.00 0.00 C ATOM 462 OD1 ASP A 413 -0.170 1.145 9.489 1.00 0.00 O ATOM 463 OD2 ASP A 413 -2.063 1.996 8.777 1.00 0.00 O ATOM 0 H ASP A 413 0.705 0.597 7.714 1.00 0.00 H new ATOM 0 HA ASP A 413 -0.874 -1.555 6.642 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -2.680 -0.326 8.058 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.347 -1.090 8.900 1.00 0.00 H new ATOM 468 N VAL A 414 -2.639 -0.439 5.258 1.00 0.00 N ATOM 469 CA VAL A 414 -3.479 0.079 4.187 1.00 0.00 C ATOM 470 C VAL A 414 -4.906 0.297 4.681 1.00 0.00 C ATOM 471 O VAL A 414 -5.492 -0.575 5.328 1.00 0.00 O ATOM 472 CB VAL A 414 -3.498 -0.899 2.990 1.00 0.00 C ATOM 473 CG1 VAL A 414 -4.214 -0.297 1.798 1.00 0.00 C ATOM 474 CG2 VAL A 414 -2.086 -1.315 2.609 1.00 0.00 C ATOM 0 H VAL A 414 -2.902 -1.374 5.568 1.00 0.00 H new ATOM 0 HA VAL A 414 -3.061 1.033 3.866 1.00 0.00 H new ATOM 0 HB VAL A 414 -4.048 -1.788 3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -4.210 -1.010 0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -5.243 -0.064 2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.705 0.616 1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -2.125 -2.003 1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.509 -0.433 2.332 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.611 -1.808 3.457 1.00 0.00 H new ATOM 484 N ALA A 415 -5.461 1.462 4.370 1.00 0.00 N ATOM 485 CA ALA A 415 -6.801 1.813 4.815 1.00 0.00 C ATOM 486 C ALA A 415 -7.762 1.934 3.635 1.00 0.00 C ATOM 487 O ALA A 415 -7.974 3.027 3.102 1.00 0.00 O ATOM 488 CB ALA A 415 -6.770 3.113 5.598 1.00 0.00 C ATOM 0 H ALA A 415 -5.001 2.180 3.810 1.00 0.00 H new ATOM 0 HA ALA A 415 -7.160 1.014 5.463 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -7.779 3.365 5.925 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -6.124 2.998 6.468 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -6.385 3.911 4.963 1.00 0.00 H new ATOM 494 N CYS A 416 -8.346 0.816 3.239 1.00 0.00 N ATOM 495 CA CYS A 416 -9.208 0.765 2.063 1.00 0.00 C ATOM 496 C CYS A 416 -10.552 1.424 2.327 1.00 0.00 C ATOM 497 O CYS A 416 -11.060 1.407 3.449 1.00 0.00 O ATOM 498 CB CYS A 416 -9.426 -0.687 1.653 1.00 0.00 C ATOM 499 SG CYS A 416 -7.958 -1.752 1.855 1.00 0.00 S ATOM 0 H CYS A 416 -8.239 -0.078 3.718 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.715 1.312 1.260 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -10.244 -1.100 2.243 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.740 -0.715 0.610 1.00 0.00 H new ATOM 504 N HIS A 417 -11.115 2.015 1.277 1.00 0.00 N ATOM 505 CA HIS A 417 -12.427 2.631 1.362 1.00 0.00 C ATOM 506 C HIS A 417 -13.500 1.555 1.492 1.00 0.00 C ATOM 507 O HIS A 417 -13.245 0.374 1.245 1.00 0.00 O ATOM 508 CB HIS A 417 -12.710 3.492 0.124 1.00 0.00 C ATOM 509 CG HIS A 417 -12.868 4.957 0.401 1.00 0.00 C ATOM 510 ND1 HIS A 417 -14.012 5.655 0.088 1.00 0.00 N ATOM 511 CD2 HIS A 417 -12.022 5.856 0.955 1.00 0.00 C ATOM 512 CE1 HIS A 417 -13.865 6.918 0.434 1.00 0.00 C ATOM 513 NE2 HIS A 417 -12.666 7.070 0.966 1.00 0.00 N ATOM 0 H HIS A 417 -10.679 2.078 0.357 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.445 3.273 2.243 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -11.897 3.357 -0.589 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -13.618 3.127 -0.355 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -11.026 5.657 1.321 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -14.601 7.698 0.304 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -12.282 7.944 1.326 1.00 0.00 H new ATOM 522 N PRO A 418 -14.711 1.962 1.870 1.00 0.00 N ATOM 523 CA PRO A 418 -15.858 1.066 2.015 1.00 0.00 C ATOM 524 C PRO A 418 -16.176 0.336 0.719 1.00 0.00 C ATOM 525 O PRO A 418 -16.635 0.939 -0.255 1.00 0.00 O ATOM 526 CB PRO A 418 -17.004 2.007 2.387 1.00 0.00 C ATOM 527 CG PRO A 418 -16.345 3.224 2.930 1.00 0.00 C ATOM 528 CD PRO A 418 -15.060 3.346 2.174 1.00 0.00 C ATOM 0 HA PRO A 418 -15.676 0.285 2.754 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.617 2.245 1.517 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -17.663 1.552 3.127 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -16.970 4.106 2.789 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -16.164 3.129 4.001 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.183 3.938 1.267 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.288 3.833 2.770 1.00 0.00 H new ATOM 536 N GLY A 419 -15.926 -0.963 0.716 1.00 0.00 N ATOM 537 CA GLY A 419 -16.153 -1.761 -0.471 1.00 0.00 C ATOM 538 C GLY A 419 -14.861 -2.278 -1.064 1.00 0.00 C ATOM 539 O GLY A 419 -14.871 -3.158 -1.924 1.00 0.00 O ATOM 0 H GLY A 419 -15.568 -1.482 1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.800 -2.602 -0.223 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.679 -1.162 -1.215 1.00 0.00 H new ATOM 543 N TYR A 420 -13.744 -1.737 -0.599 1.00 0.00 N ATOM 544 CA TYR A 420 -12.438 -2.149 -1.087 1.00 0.00 C ATOM 545 C TYR A 420 -11.711 -2.993 -0.044 1.00 0.00 C ATOM 546 O TYR A 420 -11.898 -2.806 1.162 1.00 0.00 O ATOM 547 CB TYR A 420 -11.580 -0.932 -1.452 1.00 0.00 C ATOM 548 CG TYR A 420 -12.109 -0.116 -2.613 1.00 0.00 C ATOM 549 CD1 TYR A 420 -11.770 -0.441 -3.918 1.00 0.00 C ATOM 550 CD2 TYR A 420 -12.925 0.988 -2.402 1.00 0.00 C ATOM 551 CE1 TYR A 420 -12.229 0.307 -4.982 1.00 0.00 C ATOM 552 CE2 TYR A 420 -13.393 1.740 -3.463 1.00 0.00 C ATOM 553 CZ TYR A 420 -13.040 1.395 -4.750 1.00 0.00 C ATOM 554 OH TYR A 420 -13.494 2.146 -5.809 1.00 0.00 O ATOM 0 H TYR A 420 -13.717 -1.011 0.117 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.596 -2.750 -1.983 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.498 -0.286 -0.578 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.573 -1.272 -1.693 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -11.135 -1.295 -4.104 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.198 1.263 -1.394 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -11.954 0.041 -5.992 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -14.031 2.593 -3.285 1.00 0.00 H new ATOM 0 HH TYR A 420 -14.055 2.877 -5.475 1.00 0.00 H new ATOM 564 N ALA A 421 -10.901 -3.924 -0.523 1.00 0.00 N ATOM 565 CA ALA A 421 -10.062 -4.756 0.330 1.00 0.00 C ATOM 566 C ALA A 421 -8.884 -5.268 -0.485 1.00 0.00 C ATOM 567 O ALA A 421 -9.019 -5.502 -1.681 1.00 0.00 O ATOM 568 CB ALA A 421 -10.867 -5.919 0.893 1.00 0.00 C ATOM 0 H ALA A 421 -10.806 -4.126 -1.518 1.00 0.00 H new ATOM 0 HA ALA A 421 -9.694 -4.165 1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -10.227 -6.531 1.528 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -11.700 -5.534 1.481 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -11.252 -6.526 0.073 1.00 0.00 H new ATOM 574 N LEU A 422 -7.724 -5.413 0.142 1.00 0.00 N ATOM 575 CA LEU A 422 -6.549 -5.908 -0.566 1.00 0.00 C ATOM 576 C LEU A 422 -6.775 -7.325 -1.069 1.00 0.00 C ATOM 577 O LEU A 422 -7.388 -8.151 -0.394 1.00 0.00 O ATOM 578 CB LEU A 422 -5.300 -5.854 0.314 1.00 0.00 C ATOM 579 CG LEU A 422 -4.597 -4.496 0.365 1.00 0.00 C ATOM 580 CD1 LEU A 422 -3.589 -4.459 1.503 1.00 0.00 C ATOM 581 CD2 LEU A 422 -3.902 -4.212 -0.955 1.00 0.00 C ATOM 0 H LEU A 422 -7.571 -5.198 1.127 1.00 0.00 H new ATOM 0 HA LEU A 422 -6.388 -5.254 -1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -5.577 -6.140 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -4.590 -6.599 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 422 -5.349 -3.727 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -3.099 -3.486 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -4.103 -4.627 2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -2.842 -5.238 1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.406 -3.243 -0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -3.162 -4.988 -1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.638 -4.201 -1.759 1.00 0.00 H new ATOM 593 N PRO A 423 -6.261 -7.596 -2.273 1.00 0.00 N ATOM 594 CA PRO A 423 -6.456 -8.860 -3.002 1.00 0.00 C ATOM 595 C PRO A 423 -6.039 -10.107 -2.239 1.00 0.00 C ATOM 596 O PRO A 423 -6.384 -11.224 -2.615 1.00 0.00 O ATOM 597 CB PRO A 423 -5.586 -8.682 -4.237 1.00 0.00 C ATOM 598 CG PRO A 423 -5.489 -7.220 -4.423 1.00 0.00 C ATOM 599 CD PRO A 423 -5.454 -6.651 -3.045 1.00 0.00 C ATOM 0 HA PRO A 423 -7.514 -9.028 -3.202 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -4.602 -9.129 -4.095 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -6.032 -9.163 -5.108 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.592 -6.953 -4.982 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -6.341 -6.837 -4.985 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.436 -6.585 -2.662 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -5.872 -5.645 -3.014 1.00 0.00 H new ATOM 607 N LYS A 424 -5.305 -9.909 -1.167 1.00 0.00 N ATOM 608 CA LYS A 424 -4.822 -11.013 -0.358 1.00 0.00 C ATOM 609 C LYS A 424 -5.433 -10.976 1.037 1.00 0.00 C ATOM 610 O LYS A 424 -4.937 -11.630 1.956 1.00 0.00 O ATOM 611 CB LYS A 424 -3.297 -10.988 -0.277 1.00 0.00 C ATOM 612 CG LYS A 424 -2.631 -11.216 -1.622 1.00 0.00 C ATOM 613 CD LYS A 424 -1.133 -11.391 -1.486 1.00 0.00 C ATOM 614 CE LYS A 424 -0.499 -11.730 -2.826 1.00 0.00 C ATOM 615 NZ LYS A 424 -1.039 -12.999 -3.389 1.00 0.00 N ATOM 0 H LYS A 424 -5.026 -8.987 -0.831 1.00 0.00 H new ATOM 0 HA LYS A 424 -5.129 -11.943 -0.836 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -2.975 -10.027 0.124 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -2.963 -11.754 0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -3.059 -12.100 -2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -2.840 -10.372 -2.279 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -0.691 -10.476 -1.092 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -0.920 -12.183 -0.768 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -0.677 -10.916 -3.529 1.00 0.00 H new ATOM 0 HE3 LYS A 424 0.581 -11.816 -2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -0.385 -13.365 -4.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -1.143 -13.700 -2.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -1.967 -12.819 -3.823 1.00 0.00 H new ATOM 629 N ALA A 425 -6.507 -10.199 1.180 1.00 0.00 N ATOM 630 CA ALA A 425 -7.221 -10.058 2.450 1.00 0.00 C ATOM 631 C ALA A 425 -6.297 -9.531 3.548 1.00 0.00 C ATOM 632 O ALA A 425 -6.418 -9.900 4.717 1.00 0.00 O ATOM 633 CB ALA A 425 -7.853 -11.383 2.859 1.00 0.00 C ATOM 0 H ALA A 425 -6.907 -9.650 0.419 1.00 0.00 H new ATOM 0 HA ALA A 425 -8.018 -9.328 2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.379 -11.258 3.805 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -8.558 -11.702 2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -7.075 -12.137 2.973 1.00 0.00 H new ATOM 639 N GLN A 426 -5.375 -8.663 3.155 1.00 0.00 N ATOM 640 CA GLN A 426 -4.410 -8.098 4.073 1.00 0.00 C ATOM 641 C GLN A 426 -4.766 -6.655 4.406 1.00 0.00 C ATOM 642 O GLN A 426 -5.676 -6.074 3.812 1.00 0.00 O ATOM 643 CB GLN A 426 -3.015 -8.169 3.456 1.00 0.00 C ATOM 644 CG GLN A 426 -2.469 -9.585 3.339 1.00 0.00 C ATOM 645 CD GLN A 426 -1.056 -9.631 2.791 1.00 0.00 C ATOM 646 OE1 GLN A 426 -0.271 -8.604 3.078 1.00 0.00 O flip ATOM 647 NE2 GLN A 426 -0.668 -10.587 2.121 1.00 0.00 N flip ATOM 0 H GLN A 426 -5.279 -8.335 2.194 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.424 -8.674 4.998 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.042 -7.717 2.465 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.330 -7.574 4.059 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -2.488 -10.058 4.321 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -3.123 -10.169 2.691 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -1.302 -11.360 1.921 1.00 0.00 H new ATOM 0 HE22 GLN A 426 0.288 -10.606 1.766 1.00 0.00 H new ATOM 656 N THR A 427 -4.036 -6.084 5.350 1.00 0.00 N ATOM 657 CA THR A 427 -4.268 -4.721 5.788 1.00 0.00 C ATOM 658 C THR A 427 -2.974 -3.945 5.727 1.00 0.00 C ATOM 659 O THR A 427 -2.858 -2.856 6.276 1.00 0.00 O ATOM 660 CB THR A 427 -4.799 -4.689 7.233 1.00 0.00 C ATOM 661 OG1 THR A 427 -4.232 -5.777 7.981 1.00 0.00 O ATOM 662 CG2 THR A 427 -6.315 -4.774 7.261 1.00 0.00 C ATOM 0 H THR A 427 -3.269 -6.552 5.832 1.00 0.00 H new ATOM 0 HA THR A 427 -5.011 -4.273 5.129 1.00 0.00 H new ATOM 0 HB THR A 427 -4.505 -3.742 7.686 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.570 -5.753 8.900 1.00 0.00 H new ATOM 0 HG21 THR A 427 -6.662 -4.749 8.294 1.00 0.00 H new ATOM 0 HG22 THR A 427 -6.737 -3.929 6.716 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.636 -5.704 6.793 1.00 0.00 H new ATOM 670 N THR A 428 -2.003 -4.528 5.056 1.00 0.00 N ATOM 671 CA THR A 428 -0.661 -4.026 5.082 1.00 0.00 C ATOM 672 C THR A 428 0.041 -4.229 3.742 1.00 0.00 C ATOM 673 O THR A 428 -0.337 -5.099 2.954 1.00 0.00 O ATOM 674 CB THR A 428 0.109 -4.765 6.174 1.00 0.00 C ATOM 675 OG1 THR A 428 -0.597 -5.960 6.541 1.00 0.00 O ATOM 676 CG2 THR A 428 0.328 -3.888 7.397 1.00 0.00 C ATOM 0 H THR A 428 -2.129 -5.361 4.481 1.00 0.00 H new ATOM 0 HA THR A 428 -0.692 -2.955 5.282 1.00 0.00 H new ATOM 0 HB THR A 428 1.090 -5.028 5.777 1.00 0.00 H new ATOM 0 HG1 THR A 428 -0.099 -6.432 7.241 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.879 -4.448 8.152 1.00 0.00 H new ATOM 0 HG22 THR A 428 0.898 -3.004 7.113 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.636 -3.583 7.803 1.00 0.00 H new ATOM 684 N VAL A 429 1.056 -3.418 3.493 1.00 0.00 N ATOM 685 CA VAL A 429 1.873 -3.533 2.299 1.00 0.00 C ATOM 686 C VAL A 429 3.316 -3.212 2.624 1.00 0.00 C ATOM 687 O VAL A 429 3.602 -2.303 3.402 1.00 0.00 O ATOM 688 CB VAL A 429 1.367 -2.617 1.163 1.00 0.00 C ATOM 689 CG1 VAL A 429 1.199 -1.184 1.645 1.00 0.00 C ATOM 690 CG2 VAL A 429 2.298 -2.658 -0.022 1.00 0.00 C ATOM 0 H VAL A 429 1.336 -2.660 4.115 1.00 0.00 H new ATOM 0 HA VAL A 429 1.800 -4.562 1.948 1.00 0.00 H new ATOM 0 HB VAL A 429 0.392 -2.993 0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 429 0.842 -0.563 0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 429 0.477 -1.157 2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 429 2.158 -0.804 1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 429 1.917 -2.004 -0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 429 3.289 -2.321 0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 429 2.362 -3.679 -0.399 1.00 0.00 H new ATOM 700 N THR A 430 4.221 -3.993 2.057 1.00 0.00 N ATOM 701 CA THR A 430 5.628 -3.767 2.263 1.00 0.00 C ATOM 702 C THR A 430 6.357 -3.779 0.937 1.00 0.00 C ATOM 703 O THR A 430 5.884 -4.391 -0.019 1.00 0.00 O ATOM 704 CB THR A 430 6.252 -4.822 3.204 1.00 0.00 C ATOM 705 OG1 THR A 430 6.683 -5.968 2.455 1.00 0.00 O ATOM 706 CG2 THR A 430 5.258 -5.287 4.260 1.00 0.00 C ATOM 0 H THR A 430 4.000 -4.785 1.453 1.00 0.00 H new ATOM 0 HA THR A 430 5.734 -2.791 2.736 1.00 0.00 H new ATOM 0 HB THR A 430 7.102 -4.349 3.696 1.00 0.00 H new ATOM 0 HG1 THR A 430 7.078 -6.627 3.064 1.00 0.00 H new ATOM 0 HG21 THR A 430 5.731 -6.028 4.904 1.00 0.00 H new ATOM 0 HG22 THR A 430 4.940 -4.435 4.861 1.00 0.00 H new ATOM 0 HG23 THR A 430 4.390 -5.731 3.772 1.00 0.00 H new ATOM 714 N CYS A 431 7.489 -3.098 0.861 1.00 0.00 N ATOM 715 CA CYS A 431 8.215 -3.030 -0.386 1.00 0.00 C ATOM 716 C CYS A 431 9.197 -4.176 -0.479 1.00 0.00 C ATOM 717 O CYS A 431 10.226 -4.186 0.198 1.00 0.00 O ATOM 718 CB CYS A 431 8.949 -1.702 -0.544 1.00 0.00 C ATOM 719 SG CYS A 431 9.015 -1.143 -2.276 1.00 0.00 S ATOM 0 H CYS A 431 7.916 -2.593 1.638 1.00 0.00 H new ATOM 0 HA CYS A 431 7.488 -3.106 -1.194 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.453 -0.943 0.061 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.964 -1.804 -0.159 1.00 0.00 H new ATOM 724 N MET A 432 8.858 -5.153 -1.299 1.00 0.00 N ATOM 725 CA MET A 432 9.751 -6.255 -1.579 1.00 0.00 C ATOM 726 C MET A 432 10.754 -5.800 -2.633 1.00 0.00 C ATOM 727 O MET A 432 10.884 -4.605 -2.885 1.00 0.00 O ATOM 728 CB MET A 432 8.964 -7.485 -2.051 1.00 0.00 C ATOM 729 CG MET A 432 8.532 -7.419 -3.503 1.00 0.00 C ATOM 730 SD MET A 432 7.544 -8.840 -4.010 1.00 0.00 S ATOM 731 CE MET A 432 7.151 -8.385 -5.695 1.00 0.00 C ATOM 0 H MET A 432 7.963 -5.203 -1.785 1.00 0.00 H new ATOM 0 HA MET A 432 10.283 -6.547 -0.673 1.00 0.00 H new ATOM 0 HB2 MET A 432 9.577 -8.374 -1.905 1.00 0.00 H new ATOM 0 HB3 MET A 432 8.080 -7.601 -1.424 1.00 0.00 H new ATOM 0 HG2 MET A 432 7.957 -6.507 -3.664 1.00 0.00 H new ATOM 0 HG3 MET A 432 9.416 -7.354 -4.137 1.00 0.00 H new ATOM 0 HE1 MET A 432 6.541 -9.165 -6.150 1.00 0.00 H new ATOM 0 HE2 MET A 432 6.600 -7.445 -5.699 1.00 0.00 H new ATOM 0 HE3 MET A 432 8.073 -8.267 -6.265 1.00 0.00 H new ATOM 741 N GLU A 433 11.429 -6.743 -3.265 1.00 0.00 N ATOM 742 CA GLU A 433 12.484 -6.427 -4.216 1.00 0.00 C ATOM 743 C GLU A 433 11.996 -5.472 -5.300 1.00 0.00 C ATOM 744 O GLU A 433 12.575 -4.410 -5.524 1.00 0.00 O ATOM 745 CB GLU A 433 12.996 -7.703 -4.865 1.00 0.00 C ATOM 746 CG GLU A 433 14.116 -7.459 -5.848 1.00 0.00 C ATOM 747 CD GLU A 433 15.424 -7.108 -5.162 1.00 0.00 C ATOM 748 OE1 GLU A 433 15.461 -6.122 -4.392 1.00 0.00 O ATOM 749 OE2 GLU A 433 16.421 -7.818 -5.387 1.00 0.00 O ATOM 0 H GLU A 433 11.265 -7.742 -3.137 1.00 0.00 H new ATOM 0 HA GLU A 433 13.288 -5.938 -3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 433 13.344 -8.384 -4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 433 12.172 -8.199 -5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 433 14.258 -8.349 -6.461 1.00 0.00 H new ATOM 0 HG3 GLU A 433 13.834 -6.650 -6.522 1.00 0.00 H new ATOM 756 N ASN A 434 10.927 -5.865 -5.964 1.00 0.00 N ATOM 757 CA ASN A 434 10.401 -5.110 -7.084 1.00 0.00 C ATOM 758 C ASN A 434 9.238 -4.203 -6.683 1.00 0.00 C ATOM 759 O ASN A 434 8.371 -3.902 -7.503 1.00 0.00 O ATOM 760 CB ASN A 434 9.976 -6.086 -8.173 1.00 0.00 C ATOM 761 CG ASN A 434 10.986 -6.169 -9.291 1.00 0.00 C ATOM 762 OD1 ASN A 434 11.920 -6.968 -9.245 1.00 0.00 O ATOM 763 ND2 ASN A 434 10.807 -5.350 -10.306 1.00 0.00 N ATOM 0 H ASN A 434 10.401 -6.711 -5.744 1.00 0.00 H new ATOM 0 HA ASN A 434 11.186 -4.451 -7.455 1.00 0.00 H new ATOM 0 HB2 ASN A 434 9.837 -7.075 -7.737 1.00 0.00 H new ATOM 0 HB3 ASN A 434 9.012 -5.778 -8.579 1.00 0.00 H new ATOM 0 HD21 ASN A 434 11.456 -5.363 -11.093 1.00 0.00 H new ATOM 0 HD22 ASN A 434 10.019 -4.702 -10.306 1.00 0.00 H new ATOM 770 N GLY A 435 9.223 -3.762 -5.430 1.00 0.00 N ATOM 771 CA GLY A 435 8.216 -2.812 -4.995 1.00 0.00 C ATOM 772 C GLY A 435 7.254 -3.388 -3.976 1.00 0.00 C ATOM 773 O GLY A 435 7.434 -4.516 -3.520 1.00 0.00 O ATOM 0 H GLY A 435 9.888 -4.044 -4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 435 8.710 -1.940 -4.567 1.00 0.00 H new ATOM 0 HA3 GLY A 435 7.653 -2.466 -5.862 1.00 0.00 H new ATOM 777 N TRP A 436 6.245 -2.595 -3.614 1.00 0.00 N ATOM 778 CA TRP A 436 5.196 -3.014 -2.684 1.00 0.00 C ATOM 779 C TRP A 436 4.639 -4.382 -3.100 1.00 0.00 C ATOM 780 O TRP A 436 4.015 -4.513 -4.150 1.00 0.00 O ATOM 781 CB TRP A 436 4.061 -1.987 -2.696 1.00 0.00 C ATOM 782 CG TRP A 436 4.457 -0.585 -2.321 1.00 0.00 C ATOM 783 CD1 TRP A 436 4.383 0.525 -3.116 1.00 0.00 C ATOM 784 CD2 TRP A 436 4.966 -0.137 -1.059 1.00 0.00 C ATOM 785 NE1 TRP A 436 4.803 1.635 -2.421 1.00 0.00 N ATOM 786 CE2 TRP A 436 5.168 1.255 -1.157 1.00 0.00 C ATOM 787 CE3 TRP A 436 5.267 -0.776 0.147 1.00 0.00 C ATOM 788 CZ2 TRP A 436 5.652 2.016 -0.096 1.00 0.00 C ATOM 789 CZ3 TRP A 436 5.753 -0.022 1.197 1.00 0.00 C ATOM 790 CH2 TRP A 436 5.939 1.361 1.072 1.00 0.00 C ATOM 0 H TRP A 436 6.132 -1.642 -3.958 1.00 0.00 H new ATOM 0 HA TRP A 436 5.620 -3.086 -1.683 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.621 -1.968 -3.693 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.283 -2.322 -2.011 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.044 0.529 -4.141 1.00 0.00 H new ATOM 0 HE1 TRP A 436 4.837 2.586 -2.787 1.00 0.00 H new ATOM 0 HE3 TRP A 436 5.122 -1.841 0.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.796 3.082 -0.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.994 -0.507 2.131 1.00 0.00 H new ATOM 0 HH2 TRP A 436 6.316 1.922 1.914 1.00 0.00 H new ATOM 801 N SER A 437 4.857 -5.384 -2.254 1.00 0.00 N ATOM 802 CA SER A 437 4.552 -6.769 -2.589 1.00 0.00 C ATOM 803 C SER A 437 3.042 -7.044 -2.580 1.00 0.00 C ATOM 804 O SER A 437 2.505 -7.534 -3.573 1.00 0.00 O ATOM 805 CB SER A 437 5.292 -7.714 -1.644 1.00 0.00 C ATOM 806 OG SER A 437 5.038 -9.072 -1.957 1.00 0.00 O ATOM 0 H SER A 437 5.249 -5.259 -1.321 1.00 0.00 H new ATOM 0 HA SER A 437 4.898 -6.951 -3.607 1.00 0.00 H new ATOM 0 HB2 SER A 437 6.363 -7.521 -1.702 1.00 0.00 H new ATOM 0 HB3 SER A 437 4.987 -7.514 -0.617 1.00 0.00 H new ATOM 0 HG SER A 437 5.682 -9.379 -2.629 1.00 0.00 H new ATOM 812 N PRO A 438 2.321 -6.729 -1.478 1.00 0.00 N ATOM 813 CA PRO A 438 0.859 -6.853 -1.444 1.00 0.00 C ATOM 814 C PRO A 438 0.196 -5.980 -2.502 1.00 0.00 C ATOM 815 O PRO A 438 -0.955 -6.209 -2.874 1.00 0.00 O ATOM 816 CB PRO A 438 0.491 -6.340 -0.051 1.00 0.00 C ATOM 817 CG PRO A 438 1.718 -6.504 0.761 1.00 0.00 C ATOM 818 CD PRO A 438 2.848 -6.254 -0.184 1.00 0.00 C ATOM 0 HA PRO A 438 0.530 -7.873 -1.642 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.179 -5.296 -0.086 1.00 0.00 H new ATOM 0 HB3 PRO A 438 -0.339 -6.907 0.371 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.737 -5.800 1.593 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.776 -7.505 1.189 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.114 -5.198 -0.222 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.745 -6.799 0.109 1.00 0.00 H new ATOM 826 N THR A 439 0.950 -4.988 -2.979 1.00 0.00 N ATOM 827 CA THR A 439 0.461 -4.015 -3.944 1.00 0.00 C ATOM 828 C THR A 439 -0.669 -3.175 -3.332 1.00 0.00 C ATOM 829 O THR A 439 -1.807 -3.626 -3.216 1.00 0.00 O ATOM 830 CB THR A 439 -0.017 -4.700 -5.241 1.00 0.00 C ATOM 831 OG1 THR A 439 0.937 -5.696 -5.646 1.00 0.00 O ATOM 832 CG2 THR A 439 -0.179 -3.682 -6.357 1.00 0.00 C ATOM 0 H THR A 439 1.921 -4.841 -2.702 1.00 0.00 H new ATOM 0 HA THR A 439 1.289 -3.355 -4.202 1.00 0.00 H new ATOM 0 HB THR A 439 -0.982 -5.169 -5.046 1.00 0.00 H new ATOM 0 HG1 THR A 439 0.628 -6.129 -6.469 1.00 0.00 H new ATOM 0 HG21 THR A 439 -0.517 -4.186 -7.263 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.914 -2.933 -6.063 1.00 0.00 H new ATOM 0 HG23 THR A 439 0.778 -3.196 -6.548 1.00 0.00 H new ATOM 840 N PRO A 440 -0.352 -1.930 -2.934 1.00 0.00 N ATOM 841 CA PRO A 440 -1.277 -1.057 -2.207 1.00 0.00 C ATOM 842 C PRO A 440 -2.390 -0.521 -3.094 1.00 0.00 C ATOM 843 O PRO A 440 -2.406 0.650 -3.470 1.00 0.00 O ATOM 844 CB PRO A 440 -0.386 0.086 -1.725 1.00 0.00 C ATOM 845 CG PRO A 440 0.728 0.138 -2.709 1.00 0.00 C ATOM 846 CD PRO A 440 0.934 -1.269 -3.195 1.00 0.00 C ATOM 0 HA PRO A 440 -1.785 -1.589 -1.403 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -0.933 1.029 -1.696 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.015 -0.099 -0.717 1.00 0.00 H new ATOM 0 HG2 PRO A 440 0.483 0.803 -3.537 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.636 0.526 -2.247 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.186 -1.292 -4.255 1.00 0.00 H new ATOM 0 HD3 PRO A 440 1.749 -1.759 -2.663 1.00 0.00 H new ATOM 854 N ARG A 441 -3.319 -1.393 -3.421 1.00 0.00 N ATOM 855 CA ARG A 441 -4.437 -1.039 -4.268 1.00 0.00 C ATOM 856 C ARG A 441 -5.624 -1.952 -3.956 1.00 0.00 C ATOM 857 O ARG A 441 -5.925 -2.887 -4.698 1.00 0.00 O ATOM 858 CB ARG A 441 -4.048 -1.154 -5.749 1.00 0.00 C ATOM 859 CG ARG A 441 -3.497 -2.521 -6.135 1.00 0.00 C ATOM 860 CD ARG A 441 -3.328 -2.662 -7.636 1.00 0.00 C ATOM 861 NE ARG A 441 -2.324 -1.741 -8.166 1.00 0.00 N ATOM 862 CZ ARG A 441 -2.252 -1.372 -9.440 1.00 0.00 C ATOM 863 NH1 ARG A 441 -3.143 -1.819 -10.320 1.00 0.00 N ATOM 864 NH2 ARG A 441 -1.288 -0.548 -9.827 1.00 0.00 N ATOM 0 H ARG A 441 -3.321 -2.364 -3.108 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.719 -0.005 -4.071 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.923 -0.939 -6.363 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -3.302 -0.393 -5.979 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.535 -2.676 -5.646 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -4.169 -3.299 -5.771 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -3.041 -3.686 -7.873 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -4.284 -2.477 -8.127 1.00 0.00 H new ATOM 0 HE ARG A 441 -1.636 -1.358 -7.517 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -3.887 -2.448 -10.018 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -3.083 -1.532 -11.297 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -0.609 -0.203 -9.148 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -1.225 -0.259 -10.803 1.00 0.00 H new ATOM 878 N CYS A 442 -6.266 -1.700 -2.826 1.00 0.00 N ATOM 879 CA CYS A 442 -7.412 -2.492 -2.395 1.00 0.00 C ATOM 880 C CYS A 442 -8.434 -2.618 -3.513 1.00 0.00 C ATOM 881 O CYS A 442 -8.969 -1.620 -3.991 1.00 0.00 O ATOM 882 CB CYS A 442 -8.065 -1.848 -1.176 1.00 0.00 C ATOM 883 SG CYS A 442 -6.891 -1.458 0.157 1.00 0.00 S ATOM 0 H CYS A 442 -6.012 -0.948 -2.185 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.057 -3.489 -2.133 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.568 -0.932 -1.485 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -8.832 -2.518 -0.789 1.00 0.00 H new ATOM 888 N ILE A 443 -8.674 -3.842 -3.944 1.00 0.00 N ATOM 889 CA ILE A 443 -9.642 -4.107 -4.981 1.00 0.00 C ATOM 890 C ILE A 443 -11.045 -4.095 -4.400 1.00 0.00 C ATOM 891 O ILE A 443 -11.240 -4.346 -3.209 1.00 0.00 O ATOM 892 CB ILE A 443 -9.374 -5.463 -5.666 1.00 0.00 C ATOM 893 CG1 ILE A 443 -9.088 -6.552 -4.628 1.00 0.00 C ATOM 894 CG2 ILE A 443 -8.222 -5.344 -6.655 1.00 0.00 C ATOM 895 CD1 ILE A 443 -8.999 -7.947 -5.216 1.00 0.00 C ATOM 0 H ILE A 443 -8.204 -4.673 -3.585 1.00 0.00 H new ATOM 0 HA ILE A 443 -9.551 -3.322 -5.732 1.00 0.00 H new ATOM 0 HB ILE A 443 -10.270 -5.750 -6.216 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -8.151 -6.321 -4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -9.873 -6.536 -3.872 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -8.048 -6.310 -7.128 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -8.472 -4.606 -7.417 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -7.321 -5.030 -6.128 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -8.795 -8.664 -4.421 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -9.943 -8.199 -5.699 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -8.195 -7.981 -5.951 1.00 0.00 H new ATOM 907 N ARG A 444 -12.015 -3.772 -5.234 1.00 0.00 N ATOM 908 CA ARG A 444 -13.385 -3.703 -4.817 1.00 0.00 C ATOM 909 C ARG A 444 -13.953 -5.092 -4.618 1.00 0.00 C ATOM 910 O ARG A 444 -14.177 -5.839 -5.570 1.00 0.00 O ATOM 911 CB ARG A 444 -14.169 -2.914 -5.854 1.00 0.00 C ATOM 912 CG ARG A 444 -15.649 -2.915 -5.614 1.00 0.00 C ATOM 913 CD ARG A 444 -16.373 -2.040 -6.618 1.00 0.00 C ATOM 914 NE ARG A 444 -17.811 -2.278 -6.621 1.00 0.00 N ATOM 915 CZ ARG A 444 -18.583 -2.068 -7.685 1.00 0.00 C ATOM 916 NH1 ARG A 444 -18.045 -1.627 -8.816 1.00 0.00 N ATOM 917 NH2 ARG A 444 -19.883 -2.319 -7.628 1.00 0.00 N ATOM 0 H ARG A 444 -11.866 -3.552 -6.219 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.459 -3.193 -3.857 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -13.811 -1.884 -5.862 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -13.969 -3.329 -6.842 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -16.029 -3.935 -5.677 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -15.856 -2.560 -4.604 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -16.181 -0.992 -6.389 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -15.974 -2.227 -7.615 1.00 0.00 H new ATOM 0 HE ARG A 444 -18.247 -2.622 -5.766 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -17.042 -1.450 -8.868 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -18.635 -1.466 -9.632 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -20.296 -2.675 -6.766 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -20.470 -2.156 -8.446 1.00 0.00 H new ATOM 931 N VAL A 445 -14.187 -5.412 -3.362 1.00 0.00 N ATOM 932 CA VAL A 445 -14.585 -6.743 -2.968 1.00 0.00 C ATOM 933 C VAL A 445 -16.086 -6.936 -3.157 1.00 0.00 C ATOM 934 O VAL A 445 -16.577 -8.062 -3.252 1.00 0.00 O ATOM 935 CB VAL A 445 -14.177 -7.009 -1.503 1.00 0.00 C ATOM 936 CG1 VAL A 445 -15.063 -6.241 -0.527 1.00 0.00 C ATOM 937 CG2 VAL A 445 -14.178 -8.500 -1.194 1.00 0.00 C ATOM 0 H VAL A 445 -14.106 -4.754 -2.587 1.00 0.00 H new ATOM 0 HA VAL A 445 -14.072 -7.463 -3.606 1.00 0.00 H new ATOM 0 HB VAL A 445 -13.158 -6.643 -1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -14.747 -6.452 0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -14.976 -5.172 -0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -16.100 -6.550 -0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -13.887 -8.657 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -15.177 -8.904 -1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -13.471 -9.008 -1.850 1.00 0.00 H new ATOM 947 N LYS A 446 -16.804 -5.823 -3.228 1.00 0.00 N ATOM 948 CA LYS A 446 -18.235 -5.847 -3.468 1.00 0.00 C ATOM 949 C LYS A 446 -18.617 -4.760 -4.464 1.00 0.00 C ATOM 950 O LYS A 446 -18.519 -3.565 -4.126 1.00 0.00 O ATOM 951 CB LYS A 446 -19.019 -5.701 -2.156 1.00 0.00 C ATOM 952 CG LYS A 446 -18.626 -4.497 -1.314 1.00 0.00 C ATOM 953 CD LYS A 446 -19.428 -4.446 -0.025 1.00 0.00 C ATOM 954 CE LYS A 446 -19.094 -3.213 0.799 1.00 0.00 C ATOM 955 NZ LYS A 446 -19.882 -3.161 2.058 1.00 0.00 N ATOM 956 OXT LYS A 446 -19.000 -5.108 -5.599 1.00 0.00 O ATOM 0 H LYS A 446 -16.412 -4.887 -3.121 1.00 0.00 H new ATOM 0 HA LYS A 446 -18.498 -6.814 -3.897 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -20.082 -5.634 -2.389 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -18.879 -6.604 -1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -17.562 -4.543 -1.082 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -18.789 -3.582 -1.884 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -20.493 -4.449 -0.259 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -19.228 -5.342 0.563 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -18.030 -3.211 1.036 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -19.291 -2.318 0.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -19.626 -2.306 2.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -20.897 -3.137 1.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -19.675 -4.003 2.632 1.00 0.00 H new