USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=15 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 432 MET CE :methyl -135:sc= 0 (180deg=-0.656) USER MOD Set 1.2: A 434 ASN : amide:sc= -0.0392 K(o=-0.039,f=-5!) USER MOD Set 2.1: A 427 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 428 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 398 TYR OH : rot 72:sc= 0.00613 USER MOD Set 3.2: A 417 HIS : no HD1:sc= -0.338 X(o=-0.33,f=0.075) USER MOD Single : A 388 LYS NZ :NH3+ 169:sc=-0.000269 (180deg=-0.131) USER MOD Single : A 390 TYR OH : rot 180:sc= 0 USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN : amide:sc= -1.14 K(o=-1.1,f=-4.4!) USER MOD Single : A 399 ASN : amide:sc= 1.16 K(o=1.2,f=-8.5!) USER MOD Single : A 400 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 401 ASN : amide:sc= -0.647 K(o=-0.65,f=-6.3!) USER MOD Single : A 402 HIS : no HD1:sc= -2.47! C(o=-2.5!,f=-3.3!) USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 GLN : amide:sc= -2.97! C(o=-3!,f=-5.9!) USER MOD Single : A 410 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0176) USER MOD Single : A 411 SER OG : rot 180:sc= -2.09! USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 163:sc= -0.0393 (180deg=-0.306) USER MOD Single : A 426 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.69) USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 437 SER OG : rot 95:sc= 0.612 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 16.700 0.085 -1.974 1.00 0.00 N ATOM 21 CA ARG A 387 15.429 0.314 -2.625 1.00 0.00 C ATOM 22 C ARG A 387 14.492 1.089 -1.724 1.00 0.00 C ATOM 23 O ARG A 387 13.895 0.534 -0.806 1.00 0.00 O ATOM 24 CB ARG A 387 14.786 -1.003 -3.056 1.00 0.00 C ATOM 25 CG ARG A 387 15.382 -1.564 -4.331 1.00 0.00 C ATOM 26 CD ARG A 387 15.259 -0.560 -5.466 1.00 0.00 C ATOM 27 NE ARG A 387 15.835 -1.053 -6.712 1.00 0.00 N ATOM 28 CZ ARG A 387 16.550 -0.297 -7.548 1.00 0.00 C ATOM 29 NH1 ARG A 387 16.822 0.966 -7.241 1.00 0.00 N ATOM 30 NH2 ARG A 387 17.001 -0.808 -8.685 1.00 0.00 N ATOM 0 HA ARG A 387 15.618 0.909 -3.519 1.00 0.00 H new ATOM 0 HB2 ARG A 387 14.899 -1.735 -2.256 1.00 0.00 H new ATOM 0 HB3 ARG A 387 13.716 -0.849 -3.199 1.00 0.00 H new ATOM 0 HG2 ARG A 387 16.431 -1.812 -4.170 1.00 0.00 H new ATOM 0 HG3 ARG A 387 14.873 -2.490 -4.600 1.00 0.00 H new ATOM 0 HD2 ARG A 387 14.207 -0.323 -5.625 1.00 0.00 H new ATOM 0 HD3 ARG A 387 15.756 0.368 -5.182 1.00 0.00 H new ATOM 0 HE ARG A 387 15.683 -2.031 -6.959 1.00 0.00 H new ATOM 0 HH11 ARG A 387 16.484 1.362 -6.364 1.00 0.00 H new ATOM 0 HH12 ARG A 387 17.369 1.540 -7.883 1.00 0.00 H new ATOM 0 HH21 ARG A 387 16.802 -1.780 -8.922 1.00 0.00 H new ATOM 0 HH22 ARG A 387 17.547 -0.229 -9.323 1.00 0.00 H new ATOM 44 N LYS A 388 14.413 2.387 -1.956 1.00 0.00 N ATOM 45 CA LYS A 388 13.381 3.198 -1.332 1.00 0.00 C ATOM 46 C LYS A 388 12.090 3.038 -2.116 1.00 0.00 C ATOM 47 O LYS A 388 12.106 2.846 -3.333 1.00 0.00 O ATOM 48 CB LYS A 388 13.771 4.676 -1.249 1.00 0.00 C ATOM 49 CG LYS A 388 14.683 5.023 -0.072 1.00 0.00 C ATOM 50 CD LYS A 388 15.998 4.256 -0.094 1.00 0.00 C ATOM 51 CE LYS A 388 16.881 4.672 -1.261 1.00 0.00 C ATOM 52 NZ LYS A 388 17.354 6.077 -1.144 1.00 0.00 N ATOM 0 H LYS A 388 15.047 2.901 -2.568 1.00 0.00 H new ATOM 0 HA LYS A 388 13.249 2.851 -0.307 1.00 0.00 H new ATOM 0 HB2 LYS A 388 14.270 4.960 -2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 388 12.863 5.275 -1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 388 14.892 6.093 -0.084 1.00 0.00 H new ATOM 0 HG3 LYS A 388 14.160 4.811 0.861 1.00 0.00 H new ATOM 0 HD2 LYS A 388 16.531 4.424 0.842 1.00 0.00 H new ATOM 0 HD3 LYS A 388 15.793 3.187 -0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 388 17.742 4.006 -1.317 1.00 0.00 H new ATOM 0 HE3 LYS A 388 16.326 4.555 -2.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 18.093 6.255 -1.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 16.557 6.726 -1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 17.743 6.234 -0.192 1.00 0.00 H new ATOM 66 N CYS A 389 10.983 3.136 -1.420 1.00 0.00 N ATOM 67 CA CYS A 389 9.700 2.755 -1.978 1.00 0.00 C ATOM 68 C CYS A 389 8.680 3.872 -1.818 1.00 0.00 C ATOM 69 O CYS A 389 8.273 4.206 -0.705 1.00 0.00 O ATOM 70 CB CYS A 389 9.217 1.483 -1.282 1.00 0.00 C ATOM 71 SG CYS A 389 10.570 0.315 -0.913 1.00 0.00 S ATOM 0 H CYS A 389 10.941 3.478 -0.460 1.00 0.00 H new ATOM 0 HA CYS A 389 9.815 2.569 -3.046 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.713 1.752 -0.354 1.00 0.00 H new ATOM 0 HB3 CYS A 389 8.479 0.988 -1.913 1.00 0.00 H new ATOM 76 N TYR A 390 8.287 4.459 -2.937 1.00 0.00 N ATOM 77 CA TYR A 390 7.283 5.511 -2.944 1.00 0.00 C ATOM 78 C TYR A 390 5.888 4.918 -2.764 1.00 0.00 C ATOM 79 O TYR A 390 5.540 3.922 -3.403 1.00 0.00 O ATOM 80 CB TYR A 390 7.363 6.300 -4.255 1.00 0.00 C ATOM 81 CG TYR A 390 6.266 7.328 -4.427 1.00 0.00 C ATOM 82 CD1 TYR A 390 6.320 8.551 -3.769 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.174 7.072 -5.246 1.00 0.00 C ATOM 84 CE1 TYR A 390 5.315 9.487 -3.925 1.00 0.00 C ATOM 85 CE2 TYR A 390 4.166 8.000 -5.403 1.00 0.00 C ATOM 86 CZ TYR A 390 4.241 9.207 -4.742 1.00 0.00 C ATOM 87 OH TYR A 390 3.230 10.131 -4.893 1.00 0.00 O ATOM 0 H TYR A 390 8.652 4.222 -3.860 1.00 0.00 H new ATOM 0 HA TYR A 390 7.477 6.188 -2.112 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.329 6.803 -4.305 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.325 5.601 -5.090 1.00 0.00 H new ATOM 0 HD1 TYR A 390 7.159 8.773 -3.127 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.113 6.129 -5.769 1.00 0.00 H new ATOM 0 HE1 TYR A 390 5.371 10.434 -3.409 1.00 0.00 H new ATOM 0 HE2 TYR A 390 3.322 7.782 -6.041 1.00 0.00 H new ATOM 0 HH TYR A 390 2.551 9.776 -5.504 1.00 0.00 H new ATOM 97 N PHE A 391 5.098 5.523 -1.886 1.00 0.00 N ATOM 98 CA PHE A 391 3.722 5.094 -1.671 1.00 0.00 C ATOM 99 C PHE A 391 2.790 5.841 -2.628 1.00 0.00 C ATOM 100 O PHE A 391 2.696 7.072 -2.587 1.00 0.00 O ATOM 101 CB PHE A 391 3.315 5.337 -0.214 1.00 0.00 C ATOM 102 CG PHE A 391 1.998 4.713 0.165 1.00 0.00 C ATOM 103 CD1 PHE A 391 1.936 3.389 0.570 1.00 0.00 C ATOM 104 CD2 PHE A 391 0.825 5.450 0.122 1.00 0.00 C ATOM 105 CE1 PHE A 391 0.731 2.814 0.923 1.00 0.00 C ATOM 106 CE2 PHE A 391 -0.383 4.880 0.474 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.431 3.561 0.875 1.00 0.00 C ATOM 0 H PHE A 391 5.387 6.314 -1.310 1.00 0.00 H new ATOM 0 HA PHE A 391 3.643 4.026 -1.873 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.093 4.944 0.440 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.261 6.411 -0.037 1.00 0.00 H new ATOM 0 HD1 PHE A 391 2.840 2.800 0.610 1.00 0.00 H new ATOM 0 HD2 PHE A 391 0.856 6.483 -0.191 1.00 0.00 H new ATOM 0 HE1 PHE A 391 0.697 1.781 1.236 1.00 0.00 H new ATOM 0 HE2 PHE A 391 -1.289 5.466 0.435 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.374 3.113 1.151 1.00 0.00 H new ATOM 117 N PRO A 392 2.087 5.091 -3.496 1.00 0.00 N ATOM 118 CA PRO A 392 1.250 5.654 -4.566 1.00 0.00 C ATOM 119 C PRO A 392 -0.097 6.172 -4.078 1.00 0.00 C ATOM 120 O PRO A 392 -0.347 6.279 -2.878 1.00 0.00 O ATOM 121 CB PRO A 392 1.056 4.464 -5.503 1.00 0.00 C ATOM 122 CG PRO A 392 1.105 3.270 -4.613 1.00 0.00 C ATOM 123 CD PRO A 392 2.048 3.616 -3.489 1.00 0.00 C ATOM 0 HA PRO A 392 1.718 6.524 -5.026 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.104 4.526 -6.030 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.838 4.425 -6.261 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.113 3.031 -4.229 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.455 2.393 -5.158 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.689 3.231 -2.534 1.00 0.00 H new ATOM 0 HD3 PRO A 392 3.038 3.190 -3.653 1.00 0.00 H new ATOM 131 N TYR A 393 -0.955 6.505 -5.032 1.00 0.00 N ATOM 132 CA TYR A 393 -2.256 7.068 -4.729 1.00 0.00 C ATOM 133 C TYR A 393 -3.373 6.172 -5.246 1.00 0.00 C ATOM 134 O TYR A 393 -3.472 5.898 -6.444 1.00 0.00 O ATOM 135 CB TYR A 393 -2.382 8.467 -5.340 1.00 0.00 C ATOM 136 CG TYR A 393 -3.720 9.128 -5.072 1.00 0.00 C ATOM 137 CD1 TYR A 393 -3.924 9.881 -3.923 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.781 8.991 -5.961 1.00 0.00 C ATOM 139 CE1 TYR A 393 -5.146 10.473 -3.663 1.00 0.00 C ATOM 140 CE2 TYR A 393 -6.005 9.582 -5.710 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.182 10.324 -4.561 1.00 0.00 C ATOM 142 OH TYR A 393 -7.406 10.902 -4.296 1.00 0.00 O ATOM 0 H TYR A 393 -0.768 6.392 -6.028 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.349 7.141 -3.645 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.588 9.100 -4.944 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.229 8.399 -6.417 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -3.114 10.006 -3.220 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.646 8.413 -6.863 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -5.289 11.049 -2.761 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -6.819 9.463 -6.410 1.00 0.00 H new ATOM 0 HH TYR A 393 -8.027 10.704 -5.028 1.00 0.00 H new ATOM 152 N LEU A 394 -4.198 5.716 -4.325 1.00 0.00 N ATOM 153 CA LEU A 394 -5.382 4.945 -4.653 1.00 0.00 C ATOM 154 C LEU A 394 -6.606 5.855 -4.693 1.00 0.00 C ATOM 155 O LEU A 394 -6.800 6.689 -3.806 1.00 0.00 O ATOM 156 CB LEU A 394 -5.588 3.840 -3.619 1.00 0.00 C ATOM 157 CG LEU A 394 -4.476 2.801 -3.549 1.00 0.00 C ATOM 158 CD1 LEU A 394 -4.836 1.707 -2.562 1.00 0.00 C ATOM 159 CD2 LEU A 394 -4.218 2.242 -4.925 1.00 0.00 C ATOM 0 H LEU A 394 -4.067 5.870 -3.325 1.00 0.00 H new ATOM 0 HA LEU A 394 -5.247 4.492 -5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.696 4.300 -2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.526 3.330 -3.838 1.00 0.00 H new ATOM 0 HG LEU A 394 -3.560 3.273 -3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -4.032 0.973 -2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -4.978 2.142 -1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -5.758 1.219 -2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -3.422 1.499 -4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -5.127 1.774 -5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -3.918 3.048 -5.595 1.00 0.00 H new ATOM 171 N GLU A 395 -7.424 5.682 -5.721 1.00 0.00 N ATOM 172 CA GLU A 395 -8.587 6.534 -5.947 1.00 0.00 C ATOM 173 C GLU A 395 -9.729 6.132 -5.021 1.00 0.00 C ATOM 174 O GLU A 395 -10.621 6.927 -4.729 1.00 0.00 O ATOM 175 CB GLU A 395 -9.058 6.440 -7.407 1.00 0.00 C ATOM 176 CG GLU A 395 -7.941 6.504 -8.448 1.00 0.00 C ATOM 177 CD GLU A 395 -7.198 5.187 -8.604 1.00 0.00 C ATOM 178 OE1 GLU A 395 -7.580 4.198 -7.941 1.00 0.00 O ATOM 179 OE2 GLU A 395 -6.230 5.132 -9.390 1.00 0.00 O ATOM 0 H GLU A 395 -7.303 4.950 -6.421 1.00 0.00 H new ATOM 0 HA GLU A 395 -8.294 7.562 -5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -9.604 5.506 -7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -9.761 7.250 -7.600 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -8.365 6.792 -9.410 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -7.233 7.283 -8.166 1.00 0.00 H new ATOM 186 N ASN A 396 -9.693 4.889 -4.566 1.00 0.00 N ATOM 187 CA ASN A 396 -10.744 4.357 -3.707 1.00 0.00 C ATOM 188 C ASN A 396 -10.260 4.220 -2.267 1.00 0.00 C ATOM 189 O ASN A 396 -10.926 3.610 -1.426 1.00 0.00 O ATOM 190 CB ASN A 396 -11.215 2.997 -4.220 1.00 0.00 C ATOM 191 CG ASN A 396 -10.085 1.986 -4.317 1.00 0.00 C ATOM 192 OD1 ASN A 396 -9.711 1.364 -3.328 1.00 0.00 O ATOM 193 ND2 ASN A 396 -9.553 1.792 -5.514 1.00 0.00 N ATOM 0 H ASN A 396 -8.946 4.227 -4.777 1.00 0.00 H new ATOM 0 HA ASN A 396 -11.577 5.059 -3.729 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -11.988 2.610 -3.556 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -11.672 3.121 -5.202 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -8.807 1.107 -5.636 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -9.889 2.328 -6.314 1.00 0.00 H new ATOM 200 N GLY A 397 -9.106 4.794 -1.985 1.00 0.00 N ATOM 201 CA GLY A 397 -8.554 4.711 -0.653 1.00 0.00 C ATOM 202 C GLY A 397 -8.301 6.081 -0.064 1.00 0.00 C ATOM 203 O GLY A 397 -8.441 7.090 -0.753 1.00 0.00 O ATOM 0 H GLY A 397 -8.540 5.316 -2.654 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -9.239 4.159 -0.009 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.620 4.149 -0.681 1.00 0.00 H new ATOM 207 N TYR A 398 -7.930 6.120 1.207 1.00 0.00 N ATOM 208 CA TYR A 398 -7.604 7.375 1.868 1.00 0.00 C ATOM 209 C TYR A 398 -6.130 7.686 1.663 1.00 0.00 C ATOM 210 O TYR A 398 -5.729 8.851 1.599 1.00 0.00 O ATOM 211 CB TYR A 398 -7.908 7.297 3.368 1.00 0.00 C ATOM 212 CG TYR A 398 -9.334 6.910 3.687 1.00 0.00 C ATOM 213 CD1 TYR A 398 -10.371 7.823 3.558 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.639 5.628 4.116 1.00 0.00 C ATOM 215 CE1 TYR A 398 -11.675 7.467 3.850 1.00 0.00 C ATOM 216 CE2 TYR A 398 -10.938 5.263 4.407 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.951 6.185 4.273 1.00 0.00 C ATOM 218 OH TYR A 398 -13.244 5.819 4.562 1.00 0.00 O ATOM 0 H TYR A 398 -7.847 5.296 1.802 1.00 0.00 H new ATOM 0 HA TYR A 398 -8.215 8.166 1.433 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.235 6.574 3.828 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -7.695 8.265 3.822 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -10.156 8.827 3.224 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -8.847 4.902 4.224 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -12.472 8.189 3.747 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.158 4.259 4.738 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.756 5.740 3.730 1.00 0.00 H new ATOM 228 N ASN A 399 -5.340 6.613 1.553 1.00 0.00 N ATOM 229 CA ASN A 399 -3.891 6.683 1.334 1.00 0.00 C ATOM 230 C ASN A 399 -3.164 7.137 2.585 1.00 0.00 C ATOM 231 O ASN A 399 -2.397 6.365 3.152 1.00 0.00 O ATOM 232 CB ASN A 399 -3.525 7.594 0.160 1.00 0.00 C ATOM 233 CG ASN A 399 -4.131 7.135 -1.149 1.00 0.00 C ATOM 234 OD1 ASN A 399 -3.558 6.306 -1.845 1.00 0.00 O ATOM 235 ND2 ASN A 399 -5.282 7.683 -1.502 1.00 0.00 N ATOM 0 H ASN A 399 -5.694 5.658 1.614 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.570 5.671 1.087 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -3.861 8.609 0.375 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -2.440 7.632 0.060 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -5.724 7.418 -2.382 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -5.727 8.370 -0.894 1.00 0.00 H new ATOM 242 N GLN A 400 -3.451 8.381 3.006 1.00 0.00 N ATOM 243 CA GLN A 400 -2.856 9.070 4.145 1.00 0.00 C ATOM 244 C GLN A 400 -1.321 9.172 4.088 1.00 0.00 C ATOM 245 O GLN A 400 -0.758 10.215 4.409 1.00 0.00 O ATOM 246 CB GLN A 400 -3.340 8.467 5.454 1.00 0.00 C ATOM 247 CG GLN A 400 -2.642 7.200 5.844 1.00 0.00 C ATOM 248 CD GLN A 400 -3.159 6.590 7.132 1.00 0.00 C ATOM 249 OE1 GLN A 400 -3.657 7.423 8.035 1.00 0.00 O flip ATOM 250 NE2 GLN A 400 -3.115 5.375 7.309 1.00 0.00 N flip ATOM 0 H GLN A 400 -4.144 8.957 2.528 1.00 0.00 H new ATOM 0 HA GLN A 400 -3.204 10.102 4.090 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -3.208 9.201 6.249 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -4.409 8.270 5.376 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -2.751 6.473 5.039 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -1.576 7.401 5.950 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -2.724 4.768 6.588 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -3.470 4.973 8.177 1.00 0.00 H new ATOM 259 N ASN A 401 -0.657 8.110 3.673 1.00 0.00 N ATOM 260 CA ASN A 401 0.789 8.095 3.551 1.00 0.00 C ATOM 261 C ASN A 401 1.196 8.338 2.107 1.00 0.00 C ATOM 262 O ASN A 401 2.329 8.071 1.710 1.00 0.00 O ATOM 263 CB ASN A 401 1.340 6.759 4.053 1.00 0.00 C ATOM 264 CG ASN A 401 1.109 6.576 5.539 1.00 0.00 C ATOM 265 OD1 ASN A 401 1.148 7.536 6.305 1.00 0.00 O ATOM 266 ND2 ASN A 401 0.837 5.353 5.953 1.00 0.00 N ATOM 0 H ASN A 401 -1.105 7.232 3.411 1.00 0.00 H new ATOM 0 HA ASN A 401 1.208 8.894 4.162 1.00 0.00 H new ATOM 0 HB2 ASN A 401 0.865 5.943 3.508 1.00 0.00 H new ATOM 0 HB3 ASN A 401 2.408 6.704 3.842 1.00 0.00 H new ATOM 0 HD21 ASN A 401 0.650 5.179 6.940 1.00 0.00 H new ATOM 0 HD22 ASN A 401 0.814 4.582 5.286 1.00 0.00 H new ATOM 273 N HIS A 402 0.246 8.837 1.327 1.00 0.00 N ATOM 274 CA HIS A 402 0.495 9.206 -0.064 1.00 0.00 C ATOM 275 C HIS A 402 1.626 10.222 -0.157 1.00 0.00 C ATOM 276 O HIS A 402 1.572 11.281 0.468 1.00 0.00 O ATOM 277 CB HIS A 402 -0.776 9.784 -0.703 1.00 0.00 C ATOM 278 CG HIS A 402 -0.576 10.298 -2.099 1.00 0.00 C ATOM 279 ND1 HIS A 402 -1.000 11.543 -2.513 1.00 0.00 N ATOM 280 CD2 HIS A 402 0.007 9.726 -3.178 1.00 0.00 C ATOM 281 CE1 HIS A 402 -0.684 11.712 -3.782 1.00 0.00 C ATOM 282 NE2 HIS A 402 -0.074 10.625 -4.208 1.00 0.00 N ATOM 0 H HIS A 402 -0.713 8.997 1.636 1.00 0.00 H new ATOM 0 HA HIS A 402 0.786 8.306 -0.605 1.00 0.00 H new ATOM 0 HB2 HIS A 402 -1.546 9.013 -0.717 1.00 0.00 H new ATOM 0 HB3 HIS A 402 -1.148 10.595 -0.078 1.00 0.00 H new ATOM 0 HD2 HIS A 402 0.453 8.743 -3.219 1.00 0.00 H new ATOM 0 HE1 HIS A 402 -0.890 12.593 -4.372 1.00 0.00 H new ATOM 0 HE2 HIS A 402 0.281 10.477 -5.153 1.00 0.00 H new ATOM 291 N GLY A 403 2.652 9.884 -0.922 1.00 0.00 N ATOM 292 CA GLY A 403 3.749 10.803 -1.131 1.00 0.00 C ATOM 293 C GLY A 403 4.928 10.491 -0.238 1.00 0.00 C ATOM 294 O GLY A 403 6.013 11.049 -0.405 1.00 0.00 O ATOM 0 H GLY A 403 2.744 8.989 -1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.063 10.761 -2.174 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.410 11.821 -0.941 1.00 0.00 H new ATOM 298 N ARG A 404 4.711 9.594 0.709 1.00 0.00 N ATOM 299 CA ARG A 404 5.747 9.211 1.649 1.00 0.00 C ATOM 300 C ARG A 404 6.649 8.140 1.063 1.00 0.00 C ATOM 301 O ARG A 404 6.210 7.298 0.274 1.00 0.00 O ATOM 302 CB ARG A 404 5.125 8.740 2.962 1.00 0.00 C ATOM 303 CG ARG A 404 4.621 9.887 3.818 1.00 0.00 C ATOM 304 CD ARG A 404 3.905 9.400 5.064 1.00 0.00 C ATOM 305 NE ARG A 404 3.920 10.423 6.113 1.00 0.00 N ATOM 306 CZ ARG A 404 2.869 10.788 6.851 1.00 0.00 C ATOM 307 NH1 ARG A 404 1.682 10.228 6.665 1.00 0.00 N ATOM 308 NH2 ARG A 404 3.016 11.719 7.786 1.00 0.00 N ATOM 0 H ARG A 404 3.821 9.116 0.846 1.00 0.00 H new ATOM 0 HA ARG A 404 6.363 10.087 1.853 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.298 8.064 2.745 1.00 0.00 H new ATOM 0 HB3 ARG A 404 5.864 8.170 3.525 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.461 10.519 4.107 1.00 0.00 H new ATOM 0 HG3 ARG A 404 3.944 10.506 3.230 1.00 0.00 H new ATOM 0 HD2 ARG A 404 2.875 9.142 4.818 1.00 0.00 H new ATOM 0 HD3 ARG A 404 4.383 8.491 5.430 1.00 0.00 H new ATOM 0 HE ARG A 404 4.806 10.895 6.294 1.00 0.00 H new ATOM 0 HH11 ARG A 404 1.563 9.509 5.951 1.00 0.00 H new ATOM 0 HH12 ARG A 404 0.887 10.516 7.236 1.00 0.00 H new ATOM 0 HH21 ARG A 404 3.928 12.151 7.937 1.00 0.00 H new ATOM 0 HH22 ARG A 404 2.217 12.003 8.353 1.00 0.00 H new ATOM 322 N LYS A 405 7.915 8.188 1.443 1.00 0.00 N ATOM 323 CA LYS A 405 8.896 7.252 0.931 1.00 0.00 C ATOM 324 C LYS A 405 9.343 6.288 2.016 1.00 0.00 C ATOM 325 O LYS A 405 9.846 6.689 3.068 1.00 0.00 O ATOM 326 CB LYS A 405 10.103 7.992 0.356 1.00 0.00 C ATOM 327 CG LYS A 405 9.761 8.883 -0.827 1.00 0.00 C ATOM 328 CD LYS A 405 10.979 9.638 -1.330 1.00 0.00 C ATOM 329 CE LYS A 405 10.635 10.503 -2.530 1.00 0.00 C ATOM 330 NZ LYS A 405 11.800 11.301 -2.991 1.00 0.00 N ATOM 0 H LYS A 405 8.286 8.868 2.106 1.00 0.00 H new ATOM 0 HA LYS A 405 8.425 6.680 0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.554 8.600 1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 405 10.853 7.263 0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 405 9.350 8.276 -1.634 1.00 0.00 H new ATOM 0 HG3 LYS A 405 8.987 9.593 -0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 405 11.378 10.263 -0.531 1.00 0.00 H new ATOM 0 HD3 LYS A 405 11.762 8.930 -1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 405 10.284 9.870 -3.345 1.00 0.00 H new ATOM 0 HE3 LYS A 405 9.816 11.173 -2.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 11.523 11.877 -3.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 12.120 11.924 -2.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 12.573 10.661 -3.263 1.00 0.00 H new ATOM 344 N PHE A 406 9.146 5.018 1.749 1.00 0.00 N ATOM 345 CA PHE A 406 9.536 3.959 2.661 1.00 0.00 C ATOM 346 C PHE A 406 10.771 3.277 2.105 1.00 0.00 C ATOM 347 O PHE A 406 11.377 3.777 1.158 1.00 0.00 O ATOM 348 CB PHE A 406 8.370 2.981 2.850 1.00 0.00 C ATOM 349 CG PHE A 406 7.142 3.647 3.414 1.00 0.00 C ATOM 350 CD1 PHE A 406 6.195 4.212 2.574 1.00 0.00 C ATOM 351 CD2 PHE A 406 6.949 3.731 4.784 1.00 0.00 C ATOM 352 CE1 PHE A 406 5.078 4.844 3.087 1.00 0.00 C ATOM 353 CE2 PHE A 406 5.830 4.359 5.304 1.00 0.00 C ATOM 354 CZ PHE A 406 4.896 4.921 4.453 1.00 0.00 C ATOM 0 H PHE A 406 8.709 4.685 0.890 1.00 0.00 H new ATOM 0 HA PHE A 406 9.778 4.362 3.644 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.124 2.525 1.891 1.00 0.00 H new ATOM 0 HB3 PHE A 406 8.680 2.175 3.516 1.00 0.00 H new ATOM 0 HD1 PHE A 406 6.332 4.158 1.504 1.00 0.00 H new ATOM 0 HD2 PHE A 406 7.680 3.302 5.453 1.00 0.00 H new ATOM 0 HE1 PHE A 406 4.348 5.277 2.419 1.00 0.00 H new ATOM 0 HE2 PHE A 406 5.687 4.410 6.373 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.027 5.419 4.856 1.00 0.00 H new ATOM 364 N VAL A 407 11.164 2.161 2.682 1.00 0.00 N ATOM 365 CA VAL A 407 12.390 1.510 2.259 1.00 0.00 C ATOM 366 C VAL A 407 12.233 -0.005 2.278 1.00 0.00 C ATOM 367 O VAL A 407 11.338 -0.531 2.943 1.00 0.00 O ATOM 368 CB VAL A 407 13.573 1.939 3.161 1.00 0.00 C ATOM 369 CG1 VAL A 407 13.460 1.331 4.553 1.00 0.00 C ATOM 370 CG2 VAL A 407 14.909 1.593 2.519 1.00 0.00 C ATOM 0 H VAL A 407 10.662 1.690 3.435 1.00 0.00 H new ATOM 0 HA VAL A 407 12.602 1.820 1.236 1.00 0.00 H new ATOM 0 HB VAL A 407 13.526 3.023 3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 407 14.306 1.652 5.160 1.00 0.00 H new ATOM 0 HG12 VAL A 407 12.532 1.661 5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 407 13.461 0.244 4.476 1.00 0.00 H new ATOM 0 HG21 VAL A 407 15.720 1.906 3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 407 14.967 0.517 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 407 14.997 2.108 1.562 1.00 0.00 H new ATOM 380 N GLN A 408 13.087 -0.679 1.512 1.00 0.00 N ATOM 381 CA GLN A 408 13.144 -2.131 1.455 1.00 0.00 C ATOM 382 C GLN A 408 13.046 -2.748 2.841 1.00 0.00 C ATOM 383 O GLN A 408 13.856 -2.457 3.724 1.00 0.00 O ATOM 384 CB GLN A 408 14.465 -2.545 0.812 1.00 0.00 C ATOM 385 CG GLN A 408 14.443 -3.899 0.131 1.00 0.00 C ATOM 386 CD GLN A 408 13.642 -3.875 -1.148 1.00 0.00 C ATOM 387 OE1 GLN A 408 12.658 -3.153 -1.265 1.00 0.00 O ATOM 388 NE2 GLN A 408 14.090 -4.631 -2.130 1.00 0.00 N ATOM 0 H GLN A 408 13.768 -0.222 0.906 1.00 0.00 H new ATOM 0 HA GLN A 408 12.298 -2.488 0.867 1.00 0.00 H new ATOM 0 HB2 GLN A 408 14.749 -1.790 0.079 1.00 0.00 H new ATOM 0 HB3 GLN A 408 15.240 -2.552 1.579 1.00 0.00 H new ATOM 0 HG2 GLN A 408 15.464 -4.212 -0.086 1.00 0.00 H new ATOM 0 HG3 GLN A 408 14.020 -4.640 0.810 1.00 0.00 H new ATOM 0 HE21 GLN A 408 14.913 -5.217 -1.988 1.00 0.00 H new ATOM 0 HE22 GLN A 408 13.614 -4.630 -3.032 1.00 0.00 H new ATOM 397 N GLY A 409 12.052 -3.593 3.023 1.00 0.00 N ATOM 398 CA GLY A 409 11.881 -4.260 4.293 1.00 0.00 C ATOM 399 C GLY A 409 10.870 -3.574 5.187 1.00 0.00 C ATOM 400 O GLY A 409 10.457 -4.141 6.199 1.00 0.00 O ATOM 0 H GLY A 409 11.358 -3.831 2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.565 -5.288 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 409 12.841 -4.305 4.807 1.00 0.00 H new ATOM 404 N LYS A 410 10.477 -2.353 4.844 1.00 0.00 N ATOM 405 CA LYS A 410 9.462 -1.659 5.614 1.00 0.00 C ATOM 406 C LYS A 410 8.073 -2.073 5.161 1.00 0.00 C ATOM 407 O LYS A 410 7.882 -2.538 4.032 1.00 0.00 O ATOM 408 CB LYS A 410 9.617 -0.142 5.506 1.00 0.00 C ATOM 409 CG LYS A 410 10.191 0.499 6.760 1.00 0.00 C ATOM 410 CD LYS A 410 10.154 2.015 6.673 1.00 0.00 C ATOM 411 CE LYS A 410 10.472 2.672 8.013 1.00 0.00 C ATOM 412 NZ LYS A 410 11.810 2.287 8.540 1.00 0.00 N ATOM 0 H LYS A 410 10.843 -1.832 4.047 1.00 0.00 H new ATOM 0 HA LYS A 410 9.594 -1.939 6.659 1.00 0.00 H new ATOM 0 HB2 LYS A 410 10.264 0.090 4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.644 0.301 5.294 1.00 0.00 H new ATOM 0 HG2 LYS A 410 9.625 0.169 7.631 1.00 0.00 H new ATOM 0 HG3 LYS A 410 11.219 0.166 6.903 1.00 0.00 H new ATOM 0 HD2 LYS A 410 10.871 2.353 5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 410 9.168 2.335 6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 410 10.428 3.755 7.901 1.00 0.00 H new ATOM 0 HE3 LYS A 410 9.707 2.396 8.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 12.024 2.850 9.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 11.808 1.277 8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 12.533 2.465 7.814 1.00 0.00 H new ATOM 426 N SER A 411 7.115 -1.896 6.046 1.00 0.00 N ATOM 427 CA SER A 411 5.738 -2.258 5.783 1.00 0.00 C ATOM 428 C SER A 411 4.836 -1.082 6.114 1.00 0.00 C ATOM 429 O SER A 411 5.282 -0.101 6.716 1.00 0.00 O ATOM 430 CB SER A 411 5.348 -3.477 6.626 1.00 0.00 C ATOM 431 OG SER A 411 3.986 -3.828 6.453 1.00 0.00 O ATOM 0 H SER A 411 7.270 -1.496 6.971 1.00 0.00 H new ATOM 0 HA SER A 411 5.624 -2.512 4.729 1.00 0.00 H new ATOM 0 HB2 SER A 411 5.978 -4.323 6.353 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.537 -3.266 7.678 1.00 0.00 H new ATOM 0 HG SER A 411 3.777 -4.610 7.005 1.00 0.00 H new ATOM 437 N ILE A 412 3.577 -1.182 5.736 1.00 0.00 N ATOM 438 CA ILE A 412 2.612 -0.140 6.034 1.00 0.00 C ATOM 439 C ILE A 412 1.205 -0.577 5.651 1.00 0.00 C ATOM 440 O ILE A 412 0.989 -1.178 4.597 1.00 0.00 O ATOM 441 CB ILE A 412 2.965 1.192 5.329 1.00 0.00 C ATOM 442 CG1 ILE A 412 2.018 2.305 5.775 1.00 0.00 C ATOM 443 CG2 ILE A 412 2.947 1.047 3.813 1.00 0.00 C ATOM 444 CD1 ILE A 412 2.095 2.604 7.258 1.00 0.00 C ATOM 0 H ILE A 412 3.197 -1.976 5.221 1.00 0.00 H new ATOM 0 HA ILE A 412 2.649 0.030 7.110 1.00 0.00 H new ATOM 0 HB ILE A 412 3.980 1.460 5.622 1.00 0.00 H new ATOM 0 HG12 ILE A 412 2.248 3.213 5.217 1.00 0.00 H new ATOM 0 HG13 ILE A 412 0.996 2.025 5.521 1.00 0.00 H new ATOM 0 HG21 ILE A 412 3.200 2.002 3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.676 0.295 3.511 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.953 0.740 3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 412 1.397 3.404 7.505 1.00 0.00 H new ATOM 0 HD12 ILE A 412 1.836 1.709 7.824 1.00 0.00 H new ATOM 0 HD13 ILE A 412 3.108 2.915 7.514 1.00 0.00 H new ATOM 456 N ASP A 413 0.263 -0.307 6.533 1.00 0.00 N ATOM 457 CA ASP A 413 -1.135 -0.624 6.286 1.00 0.00 C ATOM 458 C ASP A 413 -1.793 0.468 5.456 1.00 0.00 C ATOM 459 O ASP A 413 -1.734 1.649 5.791 1.00 0.00 O ATOM 460 CB ASP A 413 -1.894 -0.844 7.602 1.00 0.00 C ATOM 461 CG ASP A 413 -1.751 0.305 8.582 1.00 0.00 C ATOM 462 OD1 ASP A 413 -0.666 0.446 9.187 1.00 0.00 O ATOM 463 OD2 ASP A 413 -2.731 1.063 8.765 1.00 0.00 O ATOM 0 H ASP A 413 0.440 0.135 7.435 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.175 -1.555 5.720 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -2.951 -0.994 7.382 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.533 -1.759 8.072 1.00 0.00 H new ATOM 468 N VAL A 414 -2.409 0.060 4.360 1.00 0.00 N ATOM 469 CA VAL A 414 -3.060 0.995 3.452 1.00 0.00 C ATOM 470 C VAL A 414 -4.465 1.303 3.926 1.00 0.00 C ATOM 471 O VAL A 414 -5.281 0.401 4.108 1.00 0.00 O ATOM 472 CB VAL A 414 -3.128 0.450 2.009 1.00 0.00 C ATOM 473 CG1 VAL A 414 -3.700 1.496 1.065 1.00 0.00 C ATOM 474 CG2 VAL A 414 -1.761 0.001 1.532 1.00 0.00 C ATOM 0 H VAL A 414 -2.473 -0.917 4.074 1.00 0.00 H new ATOM 0 HA VAL A 414 -2.458 1.903 3.450 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.790 -0.416 2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -3.739 1.091 0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -4.706 1.765 1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.066 2.382 1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.838 -0.378 0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.072 0.846 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.389 -0.788 2.186 1.00 0.00 H new ATOM 484 N ALA A 415 -4.737 2.580 4.139 1.00 0.00 N ATOM 485 CA ALA A 415 -6.051 3.012 4.564 1.00 0.00 C ATOM 486 C ALA A 415 -6.981 3.158 3.366 1.00 0.00 C ATOM 487 O ALA A 415 -6.814 4.062 2.543 1.00 0.00 O ATOM 488 CB ALA A 415 -5.959 4.320 5.337 1.00 0.00 C ATOM 0 H ALA A 415 -4.061 3.335 4.023 1.00 0.00 H new ATOM 0 HA ALA A 415 -6.466 2.252 5.226 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -6.957 4.629 5.649 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -5.331 4.179 6.217 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -5.523 5.089 4.700 1.00 0.00 H new ATOM 494 N CYS A 416 -7.950 2.264 3.262 1.00 0.00 N ATOM 495 CA CYS A 416 -8.904 2.294 2.167 1.00 0.00 C ATOM 496 C CYS A 416 -10.327 2.317 2.696 1.00 0.00 C ATOM 497 O CYS A 416 -10.556 2.111 3.888 1.00 0.00 O ATOM 498 CB CYS A 416 -8.683 1.100 1.238 1.00 0.00 C ATOM 499 SG CYS A 416 -7.152 1.237 0.258 1.00 0.00 S ATOM 0 H CYS A 416 -8.097 1.505 3.927 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.746 3.207 1.593 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -8.648 0.186 1.831 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.534 1.009 0.563 1.00 0.00 H new ATOM 504 N HIS A 417 -11.281 2.591 1.816 1.00 0.00 N ATOM 505 CA HIS A 417 -12.677 2.685 2.219 1.00 0.00 C ATOM 506 C HIS A 417 -13.247 1.304 2.520 1.00 0.00 C ATOM 507 O HIS A 417 -12.712 0.289 2.077 1.00 0.00 O ATOM 508 CB HIS A 417 -13.527 3.361 1.138 1.00 0.00 C ATOM 509 CG HIS A 417 -13.294 4.832 0.971 1.00 0.00 C ATOM 510 ND1 HIS A 417 -14.247 5.777 1.269 1.00 0.00 N ATOM 511 CD2 HIS A 417 -12.226 5.516 0.504 1.00 0.00 C ATOM 512 CE1 HIS A 417 -13.777 6.978 0.989 1.00 0.00 C ATOM 513 NE2 HIS A 417 -12.549 6.850 0.520 1.00 0.00 N ATOM 0 H HIS A 417 -11.114 2.751 0.823 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.712 3.294 3.122 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.334 2.868 0.185 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.579 3.200 1.372 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -11.289 5.090 0.178 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -14.308 7.909 1.121 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -11.943 7.614 0.220 1.00 0.00 H new ATOM 522 N PRO A 418 -14.353 1.267 3.272 1.00 0.00 N ATOM 523 CA PRO A 418 -15.028 0.027 3.656 1.00 0.00 C ATOM 524 C PRO A 418 -15.483 -0.767 2.437 1.00 0.00 C ATOM 525 O PRO A 418 -16.273 -0.280 1.622 1.00 0.00 O ATOM 526 CB PRO A 418 -16.235 0.515 4.467 1.00 0.00 C ATOM 527 CG PRO A 418 -15.876 1.889 4.903 1.00 0.00 C ATOM 528 CD PRO A 418 -15.046 2.449 3.794 1.00 0.00 C ATOM 0 HA PRO A 418 -14.376 -0.646 4.213 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.142 0.517 3.862 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -16.424 -0.134 5.322 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -16.767 2.494 5.072 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.320 1.872 5.841 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.661 2.926 3.031 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.345 3.201 4.155 1.00 0.00 H new ATOM 536 N GLY A 419 -14.967 -1.981 2.308 1.00 0.00 N ATOM 537 CA GLY A 419 -15.274 -2.800 1.155 1.00 0.00 C ATOM 538 C GLY A 419 -14.088 -2.917 0.224 1.00 0.00 C ATOM 539 O GLY A 419 -14.028 -3.817 -0.616 1.00 0.00 O ATOM 0 H GLY A 419 -14.339 -2.414 2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -15.578 -3.794 1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.119 -2.370 0.617 1.00 0.00 H new ATOM 543 N TYR A 420 -13.143 -1.999 0.374 1.00 0.00 N ATOM 544 CA TYR A 420 -11.917 -2.032 -0.402 1.00 0.00 C ATOM 545 C TYR A 420 -10.783 -2.593 0.429 1.00 0.00 C ATOM 546 O TYR A 420 -10.667 -2.300 1.622 1.00 0.00 O ATOM 547 CB TYR A 420 -11.522 -0.639 -0.892 1.00 0.00 C ATOM 548 CG TYR A 420 -12.425 -0.085 -1.966 1.00 0.00 C ATOM 549 CD1 TYR A 420 -12.280 -0.487 -3.286 1.00 0.00 C ATOM 550 CD2 TYR A 420 -13.406 0.845 -1.667 1.00 0.00 C ATOM 551 CE1 TYR A 420 -13.088 0.025 -4.280 1.00 0.00 C ATOM 552 CE2 TYR A 420 -14.221 1.361 -2.654 1.00 0.00 C ATOM 553 CZ TYR A 420 -14.060 0.947 -3.959 1.00 0.00 C ATOM 554 OH TYR A 420 -14.867 1.463 -4.946 1.00 0.00 O ATOM 0 H TYR A 420 -13.205 -1.220 1.030 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.101 -2.670 -1.266 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.521 0.046 -0.044 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.502 -0.676 -1.273 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -11.522 -1.213 -3.540 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.535 1.172 -0.646 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -12.959 -0.295 -5.303 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -14.982 2.086 -2.405 1.00 0.00 H new ATOM 0 HH TYR A 420 -15.500 2.099 -4.552 1.00 0.00 H new ATOM 564 N ALA A 421 -9.952 -3.393 -0.206 1.00 0.00 N ATOM 565 CA ALA A 421 -8.777 -3.940 0.443 1.00 0.00 C ATOM 566 C ALA A 421 -7.797 -4.428 -0.603 1.00 0.00 C ATOM 567 O ALA A 421 -8.109 -4.437 -1.795 1.00 0.00 O ATOM 568 CB ALA A 421 -9.158 -5.073 1.387 1.00 0.00 C ATOM 0 H ALA A 421 -10.069 -3.681 -1.177 1.00 0.00 H new ATOM 0 HA ALA A 421 -8.306 -3.155 1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -8.260 -5.468 1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -9.838 -4.697 2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -9.649 -5.866 0.824 1.00 0.00 H new ATOM 574 N LEU A 422 -6.618 -4.830 -0.163 1.00 0.00 N ATOM 575 CA LEU A 422 -5.615 -5.364 -1.064 1.00 0.00 C ATOM 576 C LEU A 422 -5.947 -6.797 -1.432 1.00 0.00 C ATOM 577 O LEU A 422 -6.642 -7.496 -0.690 1.00 0.00 O ATOM 578 CB LEU A 422 -4.229 -5.296 -0.424 1.00 0.00 C ATOM 579 CG LEU A 422 -3.672 -3.889 -0.254 1.00 0.00 C ATOM 580 CD1 LEU A 422 -2.527 -3.883 0.742 1.00 0.00 C ATOM 581 CD2 LEU A 422 -3.208 -3.344 -1.587 1.00 0.00 C ATOM 0 H LEU A 422 -6.332 -4.796 0.816 1.00 0.00 H new ATOM 0 HA LEU A 422 -5.611 -4.759 -1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -4.272 -5.775 0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -3.535 -5.875 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 422 -4.467 -3.249 0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.143 -2.868 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -2.883 -4.240 1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -1.731 -4.536 0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -2.812 -2.338 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -2.428 -3.989 -1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.049 -3.312 -2.280 1.00 0.00 H new ATOM 593 N PRO A 423 -5.463 -7.222 -2.596 1.00 0.00 N ATOM 594 CA PRO A 423 -5.638 -8.584 -3.107 1.00 0.00 C ATOM 595 C PRO A 423 -5.366 -9.643 -2.039 1.00 0.00 C ATOM 596 O PRO A 423 -4.355 -9.581 -1.339 1.00 0.00 O ATOM 597 CB PRO A 423 -4.610 -8.642 -4.235 1.00 0.00 C ATOM 598 CG PRO A 423 -4.589 -7.244 -4.746 1.00 0.00 C ATOM 599 CD PRO A 423 -4.706 -6.378 -3.529 1.00 0.00 C ATOM 0 HA PRO A 423 -6.657 -8.793 -3.432 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.630 -8.953 -3.872 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.902 -9.350 -5.010 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -3.667 -7.037 -5.289 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -5.413 -7.065 -5.437 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.728 -6.110 -3.129 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -5.228 -5.446 -3.745 1.00 0.00 H new ATOM 607 N LYS A 424 -6.297 -10.593 -1.914 1.00 0.00 N ATOM 608 CA LYS A 424 -6.255 -11.625 -0.873 1.00 0.00 C ATOM 609 C LYS A 424 -6.588 -11.023 0.489 1.00 0.00 C ATOM 610 O LYS A 424 -6.100 -11.482 1.525 1.00 0.00 O ATOM 611 CB LYS A 424 -4.899 -12.343 -0.832 1.00 0.00 C ATOM 612 CG LYS A 424 -4.574 -13.118 -2.099 1.00 0.00 C ATOM 613 CD LYS A 424 -5.637 -14.162 -2.402 1.00 0.00 C ATOM 614 CE LYS A 424 -5.245 -15.028 -3.587 1.00 0.00 C ATOM 615 NZ LYS A 424 -4.025 -15.830 -3.305 1.00 0.00 N ATOM 0 H LYS A 424 -7.104 -10.669 -2.534 1.00 0.00 H new ATOM 0 HA LYS A 424 -7.009 -12.372 -1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -4.114 -11.607 -0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -4.888 -13.029 0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -4.491 -12.427 -2.938 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -3.605 -13.605 -1.990 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -5.791 -14.791 -1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -6.586 -13.667 -2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -6.069 -15.696 -3.838 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -5.071 -14.396 -4.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -3.950 -16.603 -3.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -3.185 -15.221 -3.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -4.085 -16.228 -2.346 1.00 0.00 H new ATOM 629 N ALA A 425 -7.422 -9.985 0.460 1.00 0.00 N ATOM 630 CA ALA A 425 -7.922 -9.326 1.666 1.00 0.00 C ATOM 631 C ALA A 425 -6.781 -8.851 2.562 1.00 0.00 C ATOM 632 O ALA A 425 -6.776 -9.086 3.771 1.00 0.00 O ATOM 633 CB ALA A 425 -8.863 -10.245 2.430 1.00 0.00 C ATOM 0 H ALA A 425 -7.772 -9.575 -0.406 1.00 0.00 H new ATOM 0 HA ALA A 425 -8.480 -8.444 1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -9.223 -9.735 3.324 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -9.710 -10.508 1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -8.331 -11.151 2.719 1.00 0.00 H new ATOM 639 N GLN A 426 -5.806 -8.193 1.958 1.00 0.00 N ATOM 640 CA GLN A 426 -4.682 -7.658 2.696 1.00 0.00 C ATOM 641 C GLN A 426 -4.968 -6.224 3.120 1.00 0.00 C ATOM 642 O GLN A 426 -5.705 -5.503 2.447 1.00 0.00 O ATOM 643 CB GLN A 426 -3.417 -7.718 1.843 1.00 0.00 C ATOM 644 CG GLN A 426 -2.997 -9.130 1.468 1.00 0.00 C ATOM 645 CD GLN A 426 -2.735 -10.007 2.676 1.00 0.00 C ATOM 646 OE1 GLN A 426 -2.332 -9.528 3.738 1.00 0.00 O ATOM 647 NE2 GLN A 426 -2.972 -11.297 2.527 1.00 0.00 N ATOM 0 H GLN A 426 -5.773 -8.018 0.954 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.528 -8.261 3.591 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.577 -7.142 0.931 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.602 -7.238 2.384 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -3.776 -9.585 0.857 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -2.097 -9.085 0.855 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -3.305 -11.654 1.632 1.00 0.00 H new ATOM 0 HE22 GLN A 426 -2.822 -11.937 3.307 1.00 0.00 H new ATOM 656 N THR A 427 -4.393 -5.818 4.236 1.00 0.00 N ATOM 657 CA THR A 427 -4.590 -4.473 4.745 1.00 0.00 C ATOM 658 C THR A 427 -3.262 -3.754 4.797 1.00 0.00 C ATOM 659 O THR A 427 -3.190 -2.553 5.042 1.00 0.00 O ATOM 660 CB THR A 427 -5.211 -4.506 6.153 1.00 0.00 C ATOM 661 OG1 THR A 427 -4.595 -5.549 6.920 1.00 0.00 O ATOM 662 CG2 THR A 427 -6.715 -4.732 6.084 1.00 0.00 C ATOM 0 H THR A 427 -3.784 -6.402 4.809 1.00 0.00 H new ATOM 0 HA THR A 427 -5.272 -3.946 4.077 1.00 0.00 H new ATOM 0 HB THR A 427 -5.037 -3.543 6.632 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.988 -5.571 7.818 1.00 0.00 H new ATOM 0 HG21 THR A 427 -7.127 -4.751 7.093 1.00 0.00 H new ATOM 0 HG22 THR A 427 -7.179 -3.924 5.518 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.918 -5.683 5.592 1.00 0.00 H new ATOM 670 N THR A 428 -2.216 -4.510 4.535 1.00 0.00 N ATOM 671 CA THR A 428 -0.865 -4.026 4.667 1.00 0.00 C ATOM 672 C THR A 428 -0.065 -4.336 3.406 1.00 0.00 C ATOM 673 O THR A 428 -0.354 -5.301 2.700 1.00 0.00 O ATOM 674 CB THR A 428 -0.180 -4.698 5.864 1.00 0.00 C ATOM 675 OG1 THR A 428 -1.129 -5.492 6.594 1.00 0.00 O ATOM 676 CG2 THR A 428 0.447 -3.680 6.800 1.00 0.00 C ATOM 0 H THR A 428 -2.283 -5.479 4.224 1.00 0.00 H new ATOM 0 HA THR A 428 -0.902 -2.947 4.819 1.00 0.00 H new ATOM 0 HB THR A 428 0.613 -5.333 5.470 1.00 0.00 H new ATOM 0 HG1 THR A 428 -0.682 -5.918 7.355 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.922 -4.197 7.634 1.00 0.00 H new ATOM 0 HG22 THR A 428 1.195 -3.101 6.259 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.325 -3.011 7.180 1.00 0.00 H new ATOM 684 N VAL A 429 0.932 -3.519 3.136 1.00 0.00 N ATOM 685 CA VAL A 429 1.799 -3.703 1.986 1.00 0.00 C ATOM 686 C VAL A 429 3.233 -3.440 2.383 1.00 0.00 C ATOM 687 O VAL A 429 3.526 -2.486 3.100 1.00 0.00 O ATOM 688 CB VAL A 429 1.397 -2.787 0.807 1.00 0.00 C ATOM 689 CG1 VAL A 429 1.285 -1.341 1.248 1.00 0.00 C ATOM 690 CG2 VAL A 429 2.371 -2.901 -0.334 1.00 0.00 C ATOM 0 H VAL A 429 1.166 -2.707 3.707 1.00 0.00 H new ATOM 0 HA VAL A 429 1.693 -4.734 1.649 1.00 0.00 H new ATOM 0 HB VAL A 429 0.419 -3.122 0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 429 1.001 -0.722 0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 429 0.528 -1.256 2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 429 2.246 -1.004 1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 429 2.059 -2.244 -1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 429 3.365 -2.611 0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 429 2.396 -3.931 -0.690 1.00 0.00 H new ATOM 700 N THR A 430 4.123 -4.310 1.949 1.00 0.00 N ATOM 701 CA THR A 430 5.514 -4.150 2.283 1.00 0.00 C ATOM 702 C THR A 430 6.372 -4.136 1.039 1.00 0.00 C ATOM 703 O THR A 430 5.931 -4.557 -0.023 1.00 0.00 O ATOM 704 CB THR A 430 6.017 -5.245 3.237 1.00 0.00 C ATOM 705 OG1 THR A 430 6.490 -6.377 2.498 1.00 0.00 O ATOM 706 CG2 THR A 430 4.919 -5.710 4.182 1.00 0.00 C ATOM 0 H THR A 430 3.907 -5.123 1.372 1.00 0.00 H new ATOM 0 HA THR A 430 5.598 -3.191 2.795 1.00 0.00 H new ATOM 0 HB THR A 430 6.830 -4.811 3.820 1.00 0.00 H new ATOM 0 HG1 THR A 430 6.808 -7.064 3.120 1.00 0.00 H new ATOM 0 HG21 THR A 430 5.311 -6.484 4.842 1.00 0.00 H new ATOM 0 HG22 THR A 430 4.571 -4.867 4.779 1.00 0.00 H new ATOM 0 HG23 THR A 430 4.088 -6.113 3.604 1.00 0.00 H new ATOM 714 N CYS A 431 7.594 -3.651 1.174 1.00 0.00 N ATOM 715 CA CYS A 431 8.465 -3.478 0.030 1.00 0.00 C ATOM 716 C CYS A 431 9.423 -4.655 -0.112 1.00 0.00 C ATOM 717 O CYS A 431 10.310 -4.859 0.726 1.00 0.00 O ATOM 718 CB CYS A 431 9.242 -2.170 0.162 1.00 0.00 C ATOM 719 SG CYS A 431 9.824 -1.497 -1.421 1.00 0.00 S ATOM 0 H CYS A 431 8.003 -3.371 2.065 1.00 0.00 H new ATOM 0 HA CYS A 431 7.850 -3.438 -0.869 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.608 -1.430 0.649 1.00 0.00 H new ATOM 0 HB3 CYS A 431 10.100 -2.333 0.814 1.00 0.00 H new ATOM 724 N MET A 432 9.223 -5.434 -1.165 1.00 0.00 N ATOM 725 CA MET A 432 10.115 -6.533 -1.495 1.00 0.00 C ATOM 726 C MET A 432 11.064 -6.079 -2.603 1.00 0.00 C ATOM 727 O MET A 432 11.172 -4.885 -2.858 1.00 0.00 O ATOM 728 CB MET A 432 9.317 -7.779 -1.911 1.00 0.00 C ATOM 729 CG MET A 432 8.776 -7.724 -3.327 1.00 0.00 C ATOM 730 SD MET A 432 7.810 -9.187 -3.758 1.00 0.00 S ATOM 731 CE MET A 432 7.136 -8.717 -5.349 1.00 0.00 C ATOM 0 H MET A 432 8.442 -5.322 -1.811 1.00 0.00 H new ATOM 0 HA MET A 432 10.699 -6.810 -0.617 1.00 0.00 H new ATOM 0 HB2 MET A 432 9.956 -8.656 -1.812 1.00 0.00 H new ATOM 0 HB3 MET A 432 8.484 -7.911 -1.220 1.00 0.00 H new ATOM 0 HG2 MET A 432 8.154 -6.836 -3.440 1.00 0.00 H new ATOM 0 HG3 MET A 432 9.606 -7.623 -4.026 1.00 0.00 H new ATOM 0 HE1 MET A 432 6.078 -8.976 -5.387 1.00 0.00 H new ATOM 0 HE2 MET A 432 7.252 -7.642 -5.490 1.00 0.00 H new ATOM 0 HE3 MET A 432 7.667 -9.247 -6.140 1.00 0.00 H new ATOM 741 N GLU A 433 11.708 -7.023 -3.283 1.00 0.00 N ATOM 742 CA GLU A 433 12.798 -6.708 -4.210 1.00 0.00 C ATOM 743 C GLU A 433 12.412 -5.613 -5.202 1.00 0.00 C ATOM 744 O GLU A 433 13.108 -4.606 -5.329 1.00 0.00 O ATOM 745 CB GLU A 433 13.226 -7.953 -4.976 1.00 0.00 C ATOM 746 CG GLU A 433 14.406 -7.710 -5.900 1.00 0.00 C ATOM 747 CD GLU A 433 14.719 -8.903 -6.769 1.00 0.00 C ATOM 748 OE1 GLU A 433 15.523 -9.756 -6.345 1.00 0.00 O ATOM 749 OE2 GLU A 433 14.162 -8.989 -7.884 1.00 0.00 O ATOM 0 H GLU A 433 11.495 -8.018 -3.211 1.00 0.00 H new ATOM 0 HA GLU A 433 13.629 -6.342 -3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 433 13.485 -8.738 -4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 433 12.383 -8.319 -5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 433 14.195 -6.849 -6.534 1.00 0.00 H new ATOM 0 HG3 GLU A 433 15.284 -7.459 -5.304 1.00 0.00 H new ATOM 756 N ASN A 434 11.301 -5.813 -5.890 1.00 0.00 N ATOM 757 CA ASN A 434 10.845 -4.865 -6.899 1.00 0.00 C ATOM 758 C ASN A 434 9.799 -3.900 -6.341 1.00 0.00 C ATOM 759 O ASN A 434 8.982 -3.358 -7.087 1.00 0.00 O ATOM 760 CB ASN A 434 10.279 -5.611 -8.113 1.00 0.00 C ATOM 761 CG ASN A 434 9.079 -6.476 -7.772 1.00 0.00 C ATOM 762 OD1 ASN A 434 9.227 -7.625 -7.363 1.00 0.00 O ATOM 763 ND2 ASN A 434 7.884 -5.933 -7.946 1.00 0.00 N ATOM 0 H ASN A 434 10.695 -6.625 -5.770 1.00 0.00 H new ATOM 0 HA ASN A 434 11.708 -4.276 -7.208 1.00 0.00 H new ATOM 0 HB2 ASN A 434 9.993 -4.887 -8.876 1.00 0.00 H new ATOM 0 HB3 ASN A 434 11.060 -6.237 -8.544 1.00 0.00 H new ATOM 0 HD21 ASN A 434 7.044 -6.472 -7.738 1.00 0.00 H new ATOM 0 HD22 ASN A 434 7.804 -4.975 -8.288 1.00 0.00 H new ATOM 770 N GLY A 435 9.826 -3.677 -5.035 1.00 0.00 N ATOM 771 CA GLY A 435 8.905 -2.739 -4.427 1.00 0.00 C ATOM 772 C GLY A 435 7.799 -3.427 -3.655 1.00 0.00 C ATOM 773 O GLY A 435 7.899 -4.618 -3.353 1.00 0.00 O ATOM 0 H GLY A 435 10.469 -4.129 -4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 435 9.455 -2.079 -3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 435 8.466 -2.112 -5.203 1.00 0.00 H new ATOM 777 N TRP A 436 6.748 -2.670 -3.343 1.00 0.00 N ATOM 778 CA TRP A 436 5.582 -3.175 -2.617 1.00 0.00 C ATOM 779 C TRP A 436 5.119 -4.524 -3.185 1.00 0.00 C ATOM 780 O TRP A 436 4.722 -4.619 -4.345 1.00 0.00 O ATOM 781 CB TRP A 436 4.442 -2.166 -2.721 1.00 0.00 C ATOM 782 CG TRP A 436 4.774 -0.782 -2.242 1.00 0.00 C ATOM 783 CD1 TRP A 436 4.768 0.365 -2.988 1.00 0.00 C ATOM 784 CD2 TRP A 436 5.140 -0.393 -0.915 1.00 0.00 C ATOM 785 NE1 TRP A 436 5.103 1.439 -2.205 1.00 0.00 N ATOM 786 CE2 TRP A 436 5.335 1.001 -0.929 1.00 0.00 C ATOM 787 CE3 TRP A 436 5.317 -1.086 0.286 1.00 0.00 C ATOM 788 CZ2 TRP A 436 5.699 1.714 0.206 1.00 0.00 C ATOM 789 CZ3 TRP A 436 5.682 -0.377 1.416 1.00 0.00 C ATOM 790 CH2 TRP A 436 5.865 1.009 1.368 1.00 0.00 C ATOM 0 H TRP A 436 6.681 -1.682 -3.588 1.00 0.00 H new ATOM 0 HA TRP A 436 5.863 -3.317 -1.574 1.00 0.00 H new ATOM 0 HB2 TRP A 436 4.123 -2.107 -3.761 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.593 -2.539 -2.148 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.533 0.417 -4.041 1.00 0.00 H new ATOM 0 HE1 TRP A 436 5.169 2.406 -2.521 1.00 0.00 H new ATOM 0 HE3 TRP A 436 5.171 -2.155 0.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.845 2.784 0.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.828 -0.901 2.349 1.00 0.00 H new ATOM 0 HH2 TRP A 436 6.144 1.535 2.269 1.00 0.00 H new ATOM 801 N SER A 437 5.160 -5.551 -2.347 1.00 0.00 N ATOM 802 CA SER A 437 4.882 -6.917 -2.768 1.00 0.00 C ATOM 803 C SER A 437 3.382 -7.187 -2.921 1.00 0.00 C ATOM 804 O SER A 437 2.959 -7.698 -3.961 1.00 0.00 O ATOM 805 CB SER A 437 5.533 -7.905 -1.799 1.00 0.00 C ATOM 806 OG SER A 437 5.113 -9.236 -2.042 1.00 0.00 O ATOM 0 H SER A 437 5.387 -5.460 -1.357 1.00 0.00 H new ATOM 0 HA SER A 437 5.318 -7.056 -3.757 1.00 0.00 H new ATOM 0 HB2 SER A 437 6.617 -7.844 -1.892 1.00 0.00 H new ATOM 0 HB3 SER A 437 5.284 -7.627 -0.775 1.00 0.00 H new ATOM 0 HG SER A 437 5.758 -9.680 -2.630 1.00 0.00 H new ATOM 812 N PRO A 438 2.542 -6.868 -1.907 1.00 0.00 N ATOM 813 CA PRO A 438 1.082 -6.998 -2.035 1.00 0.00 C ATOM 814 C PRO A 438 0.523 -6.161 -3.180 1.00 0.00 C ATOM 815 O PRO A 438 -0.594 -6.394 -3.638 1.00 0.00 O ATOM 816 CB PRO A 438 0.562 -6.462 -0.702 1.00 0.00 C ATOM 817 CG PRO A 438 1.681 -6.656 0.246 1.00 0.00 C ATOM 818 CD PRO A 438 2.917 -6.401 -0.556 1.00 0.00 C ATOM 0 HA PRO A 438 0.786 -8.024 -2.251 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.287 -5.410 -0.779 1.00 0.00 H new ATOM 0 HB3 PRO A 438 -0.328 -7.002 -0.379 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.608 -5.968 1.088 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.679 -7.665 0.658 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.187 -5.345 -0.555 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.773 -6.950 -0.163 1.00 0.00 H new ATOM 826 N THR A 439 1.326 -5.203 -3.641 1.00 0.00 N ATOM 827 CA THR A 439 0.913 -4.255 -4.660 1.00 0.00 C ATOM 828 C THR A 439 -0.199 -3.362 -4.113 1.00 0.00 C ATOM 829 O THR A 439 -1.371 -3.738 -4.102 1.00 0.00 O ATOM 830 CB THR A 439 0.445 -4.963 -5.949 1.00 0.00 C ATOM 831 OG1 THR A 439 1.452 -5.894 -6.379 1.00 0.00 O ATOM 832 CG2 THR A 439 0.178 -3.953 -7.057 1.00 0.00 C ATOM 0 H THR A 439 2.282 -5.067 -3.314 1.00 0.00 H new ATOM 0 HA THR A 439 1.778 -3.645 -4.920 1.00 0.00 H new ATOM 0 HB THR A 439 -0.483 -5.494 -5.735 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.153 -6.344 -7.197 1.00 0.00 H new ATOM 0 HG21 THR A 439 -0.151 -4.476 -7.955 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.599 -3.259 -6.737 1.00 0.00 H new ATOM 0 HG23 THR A 439 1.092 -3.400 -7.273 1.00 0.00 H new ATOM 840 N PRO A 440 0.170 -2.158 -3.652 1.00 0.00 N ATOM 841 CA PRO A 440 -0.736 -1.270 -2.921 1.00 0.00 C ATOM 842 C PRO A 440 -1.812 -0.655 -3.804 1.00 0.00 C ATOM 843 O PRO A 440 -1.705 0.490 -4.236 1.00 0.00 O ATOM 844 CB PRO A 440 0.192 -0.190 -2.370 1.00 0.00 C ATOM 845 CG PRO A 440 1.322 -0.147 -3.333 1.00 0.00 C ATOM 846 CD PRO A 440 1.496 -1.553 -3.833 1.00 0.00 C ATOM 0 HA PRO A 440 -1.291 -1.809 -2.153 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -0.313 0.774 -2.307 1.00 0.00 H new ATOM 0 HB3 PRO A 440 0.535 -0.436 -1.365 1.00 0.00 H new ATOM 0 HG2 PRO A 440 1.108 0.535 -4.155 1.00 0.00 H new ATOM 0 HG3 PRO A 440 2.232 0.211 -2.851 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.804 -1.570 -4.879 1.00 0.00 H new ATOM 0 HD3 PRO A 440 2.260 -2.087 -3.267 1.00 0.00 H new ATOM 854 N ARG A 441 -2.832 -1.444 -4.078 1.00 0.00 N ATOM 855 CA ARG A 441 -4.024 -0.966 -4.744 1.00 0.00 C ATOM 856 C ARG A 441 -5.229 -1.700 -4.168 1.00 0.00 C ATOM 857 O ARG A 441 -5.271 -2.932 -4.148 1.00 0.00 O ATOM 858 CB ARG A 441 -3.946 -1.172 -6.266 1.00 0.00 C ATOM 859 CG ARG A 441 -3.964 -2.634 -6.698 1.00 0.00 C ATOM 860 CD ARG A 441 -4.534 -2.802 -8.099 1.00 0.00 C ATOM 861 NE ARG A 441 -5.909 -2.299 -8.198 1.00 0.00 N ATOM 862 CZ ARG A 441 -6.698 -2.465 -9.264 1.00 0.00 C ATOM 863 NH1 ARG A 441 -6.303 -3.210 -10.287 1.00 0.00 N ATOM 864 NH2 ARG A 441 -7.899 -1.900 -9.294 1.00 0.00 N ATOM 0 H ARG A 441 -2.856 -2.436 -3.844 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.119 0.106 -4.572 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.783 -0.655 -6.735 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -3.034 -0.705 -6.639 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.951 -3.035 -6.667 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -4.558 -3.214 -5.992 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -3.902 -2.273 -8.813 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -4.513 -3.856 -8.375 1.00 0.00 H new ATOM 0 HE ARG A 441 -6.288 -1.789 -7.400 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -5.389 -3.663 -10.265 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -6.913 -3.330 -11.096 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -8.219 -1.340 -8.504 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -8.502 -2.026 -10.107 1.00 0.00 H new ATOM 878 N CYS A 442 -6.193 -0.958 -3.672 1.00 0.00 N ATOM 879 CA CYS A 442 -7.352 -1.572 -3.061 1.00 0.00 C ATOM 880 C CYS A 442 -8.418 -1.861 -4.097 1.00 0.00 C ATOM 881 O CYS A 442 -8.732 -1.024 -4.945 1.00 0.00 O ATOM 882 CB CYS A 442 -7.913 -0.699 -1.941 1.00 0.00 C ATOM 883 SG CYS A 442 -6.853 -0.632 -0.463 1.00 0.00 S ATOM 0 H CYS A 442 -6.199 0.062 -3.679 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.034 -2.518 -2.623 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.058 0.313 -2.319 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -8.895 -1.076 -1.656 1.00 0.00 H new ATOM 888 N ILE A 443 -8.937 -3.071 -4.044 1.00 0.00 N ATOM 889 CA ILE A 443 -10.021 -3.489 -4.893 1.00 0.00 C ATOM 890 C ILE A 443 -11.249 -3.757 -4.047 1.00 0.00 C ATOM 891 O ILE A 443 -11.131 -4.145 -2.883 1.00 0.00 O ATOM 892 CB ILE A 443 -9.648 -4.760 -5.671 1.00 0.00 C ATOM 893 CG1 ILE A 443 -8.832 -5.721 -4.799 1.00 0.00 C ATOM 894 CG2 ILE A 443 -8.885 -4.396 -6.933 1.00 0.00 C ATOM 895 CD1 ILE A 443 -8.572 -7.062 -5.452 1.00 0.00 C ATOM 0 H ILE A 443 -8.611 -3.794 -3.403 1.00 0.00 H new ATOM 0 HA ILE A 443 -10.228 -2.693 -5.609 1.00 0.00 H new ATOM 0 HB ILE A 443 -10.568 -5.271 -5.955 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -7.878 -5.255 -4.554 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -9.359 -5.881 -3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -8.626 -5.305 -7.476 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -9.507 -3.761 -7.564 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -7.974 -3.861 -6.666 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -7.990 -7.689 -4.777 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -9.522 -7.550 -5.672 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -8.017 -6.914 -6.379 1.00 0.00 H new ATOM 907 N ARG A 444 -12.424 -3.530 -4.608 1.00 0.00 N ATOM 908 CA ARG A 444 -13.640 -3.794 -3.906 1.00 0.00 C ATOM 909 C ARG A 444 -13.910 -5.277 -3.904 1.00 0.00 C ATOM 910 O ARG A 444 -14.219 -5.877 -4.937 1.00 0.00 O ATOM 911 CB ARG A 444 -14.791 -3.019 -4.540 1.00 0.00 C ATOM 912 CG ARG A 444 -16.117 -3.343 -3.909 1.00 0.00 C ATOM 913 CD ARG A 444 -17.258 -2.535 -4.507 1.00 0.00 C ATOM 914 NE ARG A 444 -17.263 -1.144 -4.049 1.00 0.00 N ATOM 915 CZ ARG A 444 -17.878 -0.154 -4.700 1.00 0.00 C ATOM 916 NH1 ARG A 444 -18.472 -0.391 -5.864 1.00 0.00 N ATOM 917 NH2 ARG A 444 -17.892 1.074 -4.187 1.00 0.00 N ATOM 0 H ARG A 444 -12.548 -3.162 -5.551 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.546 -3.462 -2.872 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.600 -1.950 -4.448 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.834 -3.245 -5.606 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -16.325 -4.406 -4.032 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -16.063 -3.151 -2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -17.182 -2.555 -5.594 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -18.207 -3.003 -4.245 1.00 0.00 H new ATOM 0 HE ARG A 444 -16.769 -0.919 -3.185 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -18.459 -1.330 -6.261 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -18.942 0.366 -6.360 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -17.432 1.260 -3.295 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -18.362 1.830 -4.685 1.00 0.00 H new ATOM 931 N VAL A 445 -13.763 -5.861 -2.736 1.00 0.00 N ATOM 932 CA VAL A 445 -13.905 -7.286 -2.585 1.00 0.00 C ATOM 933 C VAL A 445 -15.367 -7.693 -2.756 1.00 0.00 C ATOM 934 O VAL A 445 -15.666 -8.761 -3.287 1.00 0.00 O ATOM 935 CB VAL A 445 -13.342 -7.739 -1.221 1.00 0.00 C ATOM 936 CG1 VAL A 445 -14.242 -7.321 -0.069 1.00 0.00 C ATOM 937 CG2 VAL A 445 -13.085 -9.237 -1.207 1.00 0.00 C ATOM 0 H VAL A 445 -13.544 -5.364 -1.873 1.00 0.00 H new ATOM 0 HA VAL A 445 -13.329 -7.787 -3.363 1.00 0.00 H new ATOM 0 HB VAL A 445 -12.387 -7.233 -1.079 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -13.809 -7.660 0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -14.335 -6.235 -0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -15.228 -7.768 -0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -12.689 -9.529 -0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -14.019 -9.768 -1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -12.363 -9.490 -1.984 1.00 0.00 H new ATOM 947 N LYS A 446 -16.260 -6.798 -2.344 1.00 0.00 N ATOM 948 CA LYS A 446 -17.693 -6.968 -2.503 1.00 0.00 C ATOM 949 C LYS A 446 -18.406 -5.766 -1.909 1.00 0.00 C ATOM 950 O LYS A 446 -19.402 -5.303 -2.501 1.00 0.00 O ATOM 951 CB LYS A 446 -18.192 -8.258 -1.845 1.00 0.00 C ATOM 952 CG LYS A 446 -18.814 -9.215 -2.845 1.00 0.00 C ATOM 953 CD LYS A 446 -20.026 -8.595 -3.520 1.00 0.00 C ATOM 954 CE LYS A 446 -20.476 -9.396 -4.729 1.00 0.00 C ATOM 955 NZ LYS A 446 -21.587 -8.720 -5.448 1.00 0.00 N ATOM 956 OXT LYS A 446 -17.935 -5.264 -0.868 1.00 0.00 O ATOM 0 H LYS A 446 -16.001 -5.925 -1.885 1.00 0.00 H new ATOM 0 HA LYS A 446 -17.913 -7.044 -3.568 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -17.360 -8.752 -1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -18.926 -8.011 -1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -18.075 -9.488 -3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -19.108 -10.134 -2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -20.845 -8.528 -2.804 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -19.788 -7.577 -3.828 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -19.634 -9.536 -5.407 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -20.798 -10.388 -4.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -21.870 -9.294 -6.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -22.398 -8.609 -4.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -21.271 -7.784 -5.773 1.00 0.00 H new