USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 412 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 Single : A 332 GLN :FLIP amide:sc= -2.8! C(o=-3.5!,f=-2.8!) USER MOD Single : A 339 TYR OH : rot 180:sc= 0 USER MOD Single : A 340 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 346 TYR OH : rot -61:sc= -0.907! USER MOD Single : A 349 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 353 LYS NZ :NH3+ -168:sc= -0.0179 (180deg=-0.231) USER MOD Single : A 355 GLN :FLIP amide:sc= -0.738 F(o=-1.8!,f=-0.74) USER MOD Single : A 356 HIS : no HD1:sc= -0.0462 X(o=-0.046,f=0.0026) USER MOD Single : A 358 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 GLN :FLIP amide:sc= -2.55! C(o=-3.7!,f=-2.6!) USER MOD Single : A 365 ASN : amide:sc= -1.53 K(o=-1.5,f=-6.7!) USER MOD Single : A 376 HIS :FLIP no HD1:sc= -0.934 F(o=-2.1!,f=-0.93) USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 380 HIS : no HD1:sc= -0.377 K(o=-0.38,f=-2.9!) USER MOD Single : A 381 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 328 3.938 -8.726 0.059 1.00 0.00 N ATOM 2 CA LEU A 328 2.906 -8.379 1.002 1.00 0.00 C ATOM 3 C LEU A 328 3.336 -8.730 2.396 1.00 0.00 C ATOM 4 O LEU A 328 3.828 -9.835 2.665 1.00 0.00 O ATOM 5 CB LEU A 328 1.700 -9.202 0.609 1.00 0.00 C ATOM 6 CG LEU A 328 1.285 -9.067 -0.863 1.00 0.00 C ATOM 7 CD1 LEU A 328 0.054 -9.865 -1.134 1.00 0.00 C ATOM 8 CD2 LEU A 328 1.094 -7.610 -1.272 1.00 0.00 C ATOM 0 HA LEU A 328 2.691 -7.311 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 328 1.909 -10.251 0.819 1.00 0.00 H new ATOM 0 HB3 LEU A 328 0.858 -8.912 1.238 1.00 0.00 H new ATOM 0 HG LEU A 328 2.098 -9.464 -1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 328 -0.226 -9.758 -2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 328 0.246 -10.915 -0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 328 -0.759 -9.506 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 328 0.801 -7.562 -2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 328 0.316 -7.158 -0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 328 2.029 -7.067 -1.131 1.00 0.00 H new ATOM 20 N ASP A 329 3.051 -7.820 3.267 1.00 0.00 N ATOM 21 CA ASP A 329 3.431 -7.832 4.656 1.00 0.00 C ATOM 22 C ASP A 329 2.265 -7.415 5.487 1.00 0.00 C ATOM 23 O ASP A 329 1.188 -7.098 4.947 1.00 0.00 O ATOM 24 CB ASP A 329 4.645 -6.899 4.937 1.00 0.00 C ATOM 25 CG ASP A 329 5.950 -7.334 4.290 1.00 0.00 C ATOM 26 OD1 ASP A 329 6.127 -8.537 4.021 1.00 0.00 O ATOM 27 OD2 ASP A 329 6.842 -6.493 4.076 1.00 0.00 O ATOM 0 H ASP A 329 2.511 -6.991 3.019 1.00 0.00 H new ATOM 0 HA ASP A 329 3.735 -8.846 4.915 1.00 0.00 H new ATOM 0 HB2 ASP A 329 4.401 -5.895 4.590 1.00 0.00 H new ATOM 0 HB3 ASP A 329 4.794 -6.836 6.015 1.00 0.00 H new ATOM 32 N ALA A 330 2.429 -7.497 6.776 1.00 0.00 N ATOM 33 CA ALA A 330 1.431 -7.055 7.728 1.00 0.00 C ATOM 34 C ALA A 330 1.236 -5.537 7.607 1.00 0.00 C ATOM 35 O ALA A 330 2.128 -4.855 7.085 1.00 0.00 O ATOM 36 CB ALA A 330 1.759 -7.488 9.145 1.00 0.00 C ATOM 0 H ALA A 330 3.270 -7.878 7.209 1.00 0.00 H new ATOM 0 HA ALA A 330 0.485 -7.539 7.488 1.00 0.00 H new ATOM 0 HB1 ALA A 330 0.982 -7.134 9.823 1.00 0.00 H new ATOM 0 HB2 ALA A 330 1.811 -8.576 9.190 1.00 0.00 H new ATOM 0 HB3 ALA A 330 2.719 -7.066 9.441 1.00 0.00 H new ATOM 42 N PHE A 331 0.081 -5.013 8.070 1.00 0.00 N ATOM 43 CA PHE A 331 -0.297 -3.617 7.804 1.00 0.00 C ATOM 44 C PHE A 331 0.766 -2.801 8.543 1.00 0.00 C ATOM 45 O PHE A 331 0.956 -3.006 9.746 1.00 0.00 O ATOM 46 CB PHE A 331 -1.634 -3.360 8.528 1.00 0.00 C ATOM 47 CG PHE A 331 -2.368 -2.179 8.036 1.00 0.00 C ATOM 48 CD1 PHE A 331 -1.931 -0.878 8.213 1.00 0.00 C ATOM 49 CD2 PHE A 331 -3.462 -2.406 7.267 1.00 0.00 C ATOM 50 CE1 PHE A 331 -2.625 0.161 7.614 1.00 0.00 C ATOM 51 CE2 PHE A 331 -4.124 -1.414 6.670 1.00 0.00 C ATOM 52 CZ PHE A 331 -3.731 -0.133 6.823 1.00 0.00 C ATOM 0 H PHE A 331 -0.598 -5.534 8.625 1.00 0.00 H new ATOM 0 HA PHE A 331 -0.376 -3.383 6.742 1.00 0.00 H new ATOM 0 HB2 PHE A 331 -2.268 -4.240 8.420 1.00 0.00 H new ATOM 0 HB3 PHE A 331 -1.440 -3.236 9.593 1.00 0.00 H new ATOM 0 HD1 PHE A 331 -1.056 -0.674 8.813 1.00 0.00 H new ATOM 0 HD2 PHE A 331 -3.807 -3.421 7.134 1.00 0.00 H new ATOM 0 HE1 PHE A 331 -2.312 1.184 7.759 1.00 0.00 H new ATOM 0 HE2 PHE A 331 -4.984 -1.639 6.057 1.00 0.00 H new ATOM 0 HZ PHE A 331 -4.273 0.662 6.333 1.00 0.00 H new ATOM 62 N GLN A 332 1.457 -1.892 7.866 1.00 0.00 N ATOM 63 CA GLN A 332 2.629 -1.369 8.497 1.00 0.00 C ATOM 64 C GLN A 332 3.052 -0.051 7.898 1.00 0.00 C ATOM 65 O GLN A 332 2.679 0.270 6.755 1.00 0.00 O ATOM 66 CB GLN A 332 3.731 -2.419 8.306 1.00 0.00 C ATOM 67 CG GLN A 332 5.029 -2.189 9.034 1.00 0.00 C ATOM 68 CD GLN A 332 6.064 -3.247 8.699 1.00 0.00 C ATOM 69 OE1 GLN A 332 5.633 -4.376 8.176 1.00 0.00 O flip ATOM 70 NE2 GLN A 332 7.249 -3.034 8.881 1.00 0.00 N flip ATOM 0 H GLN A 332 1.235 -1.529 6.939 1.00 0.00 H new ATOM 0 HA GLN A 332 2.433 -1.176 9.552 1.00 0.00 H new ATOM 0 HB2 GLN A 332 3.335 -3.386 8.617 1.00 0.00 H new ATOM 0 HB3 GLN A 332 3.949 -2.491 7.240 1.00 0.00 H new ATOM 0 HG2 GLN A 332 5.420 -1.205 8.776 1.00 0.00 H new ATOM 0 HG3 GLN A 332 4.847 -2.188 10.109 1.00 0.00 H new ATOM 0 HE21 GLN A 332 7.551 -2.149 9.288 1.00 0.00 H new ATOM 0 HE22 GLN A 332 7.939 -3.740 8.626 1.00 0.00 H new ATOM 79 N GLU A 333 3.805 0.703 8.657 1.00 0.00 N ATOM 80 CA GLU A 333 4.578 1.758 8.109 1.00 0.00 C ATOM 81 C GLU A 333 6.029 1.270 8.112 1.00 0.00 C ATOM 82 O GLU A 333 6.771 1.378 9.083 1.00 0.00 O ATOM 83 CB GLU A 333 4.329 3.122 8.802 1.00 0.00 C ATOM 84 CG GLU A 333 4.729 3.199 10.256 1.00 0.00 C ATOM 85 CD GLU A 333 4.389 4.515 10.907 1.00 0.00 C ATOM 86 OE1 GLU A 333 3.997 5.476 10.208 1.00 0.00 O ATOM 87 OE2 GLU A 333 4.532 4.624 12.142 1.00 0.00 O ATOM 0 H GLU A 333 3.891 0.594 9.667 1.00 0.00 H new ATOM 0 HA GLU A 333 4.281 1.982 7.084 1.00 0.00 H new ATOM 0 HB2 GLU A 333 4.871 3.892 8.253 1.00 0.00 H new ATOM 0 HB3 GLU A 333 3.269 3.361 8.723 1.00 0.00 H new ATOM 0 HG2 GLU A 333 4.236 2.395 10.803 1.00 0.00 H new ATOM 0 HG3 GLU A 333 5.803 3.029 10.338 1.00 0.00 H new ATOM 94 N ILE A 334 6.387 0.705 7.010 1.00 0.00 N ATOM 95 CA ILE A 334 7.630 0.016 6.820 1.00 0.00 C ATOM 96 C ILE A 334 8.623 0.919 6.121 1.00 0.00 C ATOM 97 O ILE A 334 8.291 1.560 5.166 1.00 0.00 O ATOM 98 CB ILE A 334 7.395 -1.368 6.095 1.00 0.00 C ATOM 99 CG1 ILE A 334 8.689 -1.999 5.578 1.00 0.00 C ATOM 100 CG2 ILE A 334 6.311 -1.310 5.027 1.00 0.00 C ATOM 101 CD1 ILE A 334 8.522 -3.420 5.071 1.00 0.00 C ATOM 0 H ILE A 334 5.799 0.707 6.176 1.00 0.00 H new ATOM 0 HA ILE A 334 8.071 -0.231 7.786 1.00 0.00 H new ATOM 0 HB ILE A 334 7.018 -2.037 6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 334 9.086 -1.381 4.773 1.00 0.00 H new ATOM 0 HG13 ILE A 334 9.429 -1.994 6.378 1.00 0.00 H new ATOM 0 HG21 ILE A 334 6.200 -2.292 4.568 1.00 0.00 H new ATOM 0 HG22 ILE A 334 5.366 -1.013 5.483 1.00 0.00 H new ATOM 0 HG23 ILE A 334 6.590 -0.583 4.265 1.00 0.00 H new ATOM 0 HD11 ILE A 334 9.483 -3.797 4.722 1.00 0.00 H new ATOM 0 HD12 ILE A 334 8.155 -4.054 5.878 1.00 0.00 H new ATOM 0 HD13 ILE A 334 7.807 -3.431 4.248 1.00 0.00 H new ATOM 113 N PRO A 335 9.820 1.112 6.672 1.00 0.00 N ATOM 114 CA PRO A 335 10.786 1.992 6.126 1.00 0.00 C ATOM 115 C PRO A 335 11.263 1.491 4.811 1.00 0.00 C ATOM 116 O PRO A 335 11.161 0.283 4.511 1.00 0.00 O ATOM 117 CB PRO A 335 11.903 2.038 7.173 1.00 0.00 C ATOM 118 CG PRO A 335 11.275 1.420 8.347 1.00 0.00 C ATOM 119 CD PRO A 335 10.430 0.385 7.756 1.00 0.00 C ATOM 0 HA PRO A 335 10.391 2.988 5.928 1.00 0.00 H new ATOM 0 HB2 PRO A 335 12.785 1.485 6.848 1.00 0.00 H new ATOM 0 HB3 PRO A 335 12.224 3.059 7.377 1.00 0.00 H new ATOM 0 HG2 PRO A 335 12.016 0.998 9.027 1.00 0.00 H new ATOM 0 HG3 PRO A 335 10.691 2.141 8.919 1.00 0.00 H new ATOM 0 HD2 PRO A 335 11.009 -0.469 7.405 1.00 0.00 H new ATOM 0 HD3 PRO A 335 9.693 0.002 8.462 1.00 0.00 H new ATOM 127 N LEU A 336 11.780 2.374 4.039 1.00 0.00 N ATOM 128 CA LEU A 336 12.315 2.035 2.766 1.00 0.00 C ATOM 129 C LEU A 336 13.407 0.972 2.890 1.00 0.00 C ATOM 130 O LEU A 336 13.583 0.162 1.987 1.00 0.00 O ATOM 131 CB LEU A 336 12.846 3.257 2.062 1.00 0.00 C ATOM 132 CG LEU A 336 11.854 4.370 1.741 1.00 0.00 C ATOM 133 CD1 LEU A 336 12.615 5.473 1.113 1.00 0.00 C ATOM 134 CD2 LEU A 336 10.852 3.885 0.712 1.00 0.00 C ATOM 0 H LEU A 336 11.846 3.365 4.273 1.00 0.00 H new ATOM 0 HA LEU A 336 11.504 1.619 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 336 13.640 3.681 2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 336 13.304 2.934 1.127 1.00 0.00 H new ATOM 0 HG LEU A 336 11.341 4.680 2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 336 11.936 6.290 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 336 13.377 5.829 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 336 13.092 5.113 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 336 10.146 4.684 0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 336 11.377 3.597 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 336 10.312 3.025 1.107 1.00 0.00 H new ATOM 146 N GLU A 337 14.143 1.006 3.992 1.00 0.00 N ATOM 147 CA GLU A 337 15.224 0.060 4.235 1.00 0.00 C ATOM 148 C GLU A 337 14.706 -1.400 4.223 1.00 0.00 C ATOM 149 O GLU A 337 15.299 -2.289 3.611 1.00 0.00 O ATOM 150 CB GLU A 337 15.602 0.263 5.711 1.00 0.00 C ATOM 151 CG GLU A 337 16.846 -0.496 6.173 1.00 0.00 C ATOM 152 CD GLU A 337 17.121 -0.357 7.653 1.00 0.00 C ATOM 153 OE1 GLU A 337 16.325 0.268 8.376 1.00 0.00 O ATOM 154 OE2 GLU A 337 18.145 -0.873 8.126 1.00 0.00 O ATOM 0 H GLU A 337 14.009 1.687 4.740 1.00 0.00 H new ATOM 0 HA GLU A 337 16.008 0.212 3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 337 15.759 1.327 5.887 1.00 0.00 H new ATOM 0 HB3 GLU A 337 14.759 -0.041 6.331 1.00 0.00 H new ATOM 0 HG2 GLU A 337 16.729 -1.552 5.931 1.00 0.00 H new ATOM 0 HG3 GLU A 337 17.710 -0.135 5.615 1.00 0.00 H new ATOM 161 N GLU A 338 13.586 -1.585 4.893 1.00 0.00 N ATOM 162 CA GLU A 338 12.975 -2.877 5.134 1.00 0.00 C ATOM 163 C GLU A 338 12.356 -3.597 3.940 1.00 0.00 C ATOM 164 O GLU A 338 12.415 -4.821 3.843 1.00 0.00 O ATOM 165 CB GLU A 338 12.098 -2.835 6.365 1.00 0.00 C ATOM 166 CG GLU A 338 12.920 -2.541 7.624 1.00 0.00 C ATOM 167 CD GLU A 338 12.129 -2.549 8.902 1.00 0.00 C ATOM 168 OE1 GLU A 338 10.901 -2.652 8.865 1.00 0.00 O ATOM 169 OE2 GLU A 338 12.738 -2.413 9.989 1.00 0.00 O ATOM 0 H GLU A 338 13.058 -0.813 5.299 1.00 0.00 H new ATOM 0 HA GLU A 338 13.815 -3.543 5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 338 11.331 -2.070 6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 338 11.582 -3.788 6.479 1.00 0.00 H new ATOM 0 HG2 GLU A 338 13.719 -3.279 7.701 1.00 0.00 H new ATOM 0 HG3 GLU A 338 13.396 -1.567 7.512 1.00 0.00 H new ATOM 176 N TYR A 339 11.807 -2.845 3.021 1.00 0.00 N ATOM 177 CA TYR A 339 11.021 -3.425 1.936 1.00 0.00 C ATOM 178 C TYR A 339 11.901 -3.440 0.691 1.00 0.00 C ATOM 179 O TYR A 339 12.435 -2.419 0.309 1.00 0.00 O ATOM 180 CB TYR A 339 9.783 -2.481 1.767 1.00 0.00 C ATOM 181 CG TYR A 339 8.691 -2.840 0.751 1.00 0.00 C ATOM 182 CD1 TYR A 339 8.733 -2.374 -0.563 1.00 0.00 C ATOM 183 CD2 TYR A 339 7.567 -3.575 1.136 1.00 0.00 C ATOM 184 CE1 TYR A 339 7.694 -2.648 -1.453 1.00 0.00 C ATOM 185 CE2 TYR A 339 6.539 -3.848 0.237 1.00 0.00 C ATOM 186 CZ TYR A 339 6.616 -3.380 -1.045 1.00 0.00 C ATOM 187 OH TYR A 339 5.603 -3.648 -1.936 1.00 0.00 O ATOM 0 H TYR A 339 11.883 -1.828 2.993 1.00 0.00 H new ATOM 0 HA TYR A 339 10.686 -4.445 2.123 1.00 0.00 H new ATOM 0 HB2 TYR A 339 9.305 -2.392 2.742 1.00 0.00 H new ATOM 0 HB3 TYR A 339 10.160 -1.492 1.505 1.00 0.00 H new ATOM 0 HD1 TYR A 339 9.581 -1.794 -0.896 1.00 0.00 H new ATOM 0 HD2 TYR A 339 7.494 -3.938 2.150 1.00 0.00 H new ATOM 0 HE1 TYR A 339 7.743 -2.280 -2.467 1.00 0.00 H new ATOM 0 HE2 TYR A 339 5.684 -4.428 0.552 1.00 0.00 H new ATOM 0 HH TYR A 339 4.910 -4.180 -1.493 1.00 0.00 H new ATOM 197 N ASN A 340 12.095 -4.619 0.108 1.00 0.00 N ATOM 198 CA ASN A 340 12.967 -4.784 -1.073 1.00 0.00 C ATOM 199 C ASN A 340 12.241 -4.723 -2.422 1.00 0.00 C ATOM 200 O ASN A 340 12.870 -4.910 -3.471 1.00 0.00 O ATOM 201 CB ASN A 340 13.798 -6.087 -0.982 1.00 0.00 C ATOM 202 CG ASN A 340 14.753 -6.125 0.209 1.00 0.00 C ATOM 203 OD1 ASN A 340 15.221 -5.095 0.684 1.00 0.00 O ATOM 204 ND2 ASN A 340 15.043 -7.302 0.700 1.00 0.00 N ATOM 0 H ASN A 340 11.662 -5.485 0.429 1.00 0.00 H new ATOM 0 HA ASN A 340 13.628 -3.918 -1.046 1.00 0.00 H new ATOM 0 HB2 ASN A 340 13.119 -6.937 -0.919 1.00 0.00 H new ATOM 0 HB3 ASN A 340 14.372 -6.206 -1.901 1.00 0.00 H new ATOM 0 HD21 ASN A 340 15.673 -7.380 1.498 1.00 0.00 H new ATOM 0 HD22 ASN A 340 14.639 -8.141 0.285 1.00 0.00 H new ATOM 211 N GLY A 341 10.953 -4.470 -2.424 1.00 0.00 N ATOM 212 CA GLY A 341 10.231 -4.488 -3.690 1.00 0.00 C ATOM 213 C GLY A 341 10.258 -3.173 -4.448 1.00 0.00 C ATOM 214 O GLY A 341 10.753 -2.163 -3.941 1.00 0.00 O ATOM 0 H GLY A 341 10.393 -4.256 -1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 341 10.654 -5.267 -4.324 1.00 0.00 H new ATOM 0 HA3 GLY A 341 9.193 -4.761 -3.498 1.00 0.00 H new ATOM 218 N GLU A 342 9.655 -3.182 -5.633 1.00 0.00 N ATOM 219 CA GLU A 342 9.506 -1.993 -6.468 1.00 0.00 C ATOM 220 C GLU A 342 8.240 -1.366 -5.995 1.00 0.00 C ATOM 221 O GLU A 342 7.160 -1.939 -6.168 1.00 0.00 O ATOM 222 CB GLU A 342 9.404 -2.355 -7.952 1.00 0.00 C ATOM 223 CG GLU A 342 10.641 -3.054 -8.505 1.00 0.00 C ATOM 224 CD GLU A 342 11.926 -2.291 -8.262 1.00 0.00 C ATOM 225 OE1 GLU A 342 12.024 -1.098 -8.620 1.00 0.00 O ATOM 226 OE2 GLU A 342 12.865 -2.884 -7.681 1.00 0.00 O ATOM 0 H GLU A 342 9.252 -4.023 -6.045 1.00 0.00 H new ATOM 0 HA GLU A 342 10.366 -1.328 -6.383 1.00 0.00 H new ATOM 0 HB2 GLU A 342 8.538 -3.000 -8.100 1.00 0.00 H new ATOM 0 HB3 GLU A 342 9.226 -1.446 -8.526 1.00 0.00 H new ATOM 0 HG2 GLU A 342 10.723 -4.042 -8.052 1.00 0.00 H new ATOM 0 HG3 GLU A 342 10.515 -3.205 -9.577 1.00 0.00 H new ATOM 233 N ARG A 343 8.343 -0.228 -5.394 1.00 0.00 N ATOM 234 CA ARG A 343 7.296 0.178 -4.527 1.00 0.00 C ATOM 235 C ARG A 343 6.575 1.475 -4.966 1.00 0.00 C ATOM 236 O ARG A 343 7.164 2.552 -5.120 1.00 0.00 O ATOM 237 CB ARG A 343 8.016 0.312 -3.198 1.00 0.00 C ATOM 238 CG ARG A 343 9.037 1.450 -3.150 1.00 0.00 C ATOM 239 CD ARG A 343 10.005 1.291 -2.016 1.00 0.00 C ATOM 240 NE ARG A 343 10.940 0.204 -2.320 1.00 0.00 N ATOM 241 CZ ARG A 343 12.026 -0.112 -1.634 1.00 0.00 C ATOM 242 NH1 ARG A 343 12.264 0.465 -0.467 1.00 0.00 N ATOM 243 NH2 ARG A 343 12.872 -1.020 -2.113 1.00 0.00 N ATOM 0 H ARG A 343 9.123 0.422 -5.485 1.00 0.00 H new ATOM 0 HA ARG A 343 6.469 -0.531 -4.506 1.00 0.00 H new ATOM 0 HB2 ARG A 343 7.278 0.468 -2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 343 8.524 -0.627 -2.977 1.00 0.00 H new ATOM 0 HG2 ARG A 343 9.585 1.485 -4.092 1.00 0.00 H new ATOM 0 HG3 ARG A 343 8.515 2.401 -3.050 1.00 0.00 H new ATOM 0 HD2 ARG A 343 10.551 2.221 -1.857 1.00 0.00 H new ATOM 0 HD3 ARG A 343 9.468 1.075 -1.093 1.00 0.00 H new ATOM 0 HE ARG A 343 10.733 -0.365 -3.141 1.00 0.00 H new ATOM 0 HH11 ARG A 343 11.610 1.154 -0.096 1.00 0.00 H new ATOM 0 HH12 ARG A 343 13.102 0.221 0.061 1.00 0.00 H new ATOM 0 HH21 ARG A 343 12.683 -1.471 -3.008 1.00 0.00 H new ATOM 0 HH22 ARG A 343 13.710 -1.265 -1.585 1.00 0.00 H new ATOM 257 N PHE A 344 5.282 1.335 -5.167 1.00 0.00 N ATOM 258 CA PHE A 344 4.398 2.412 -5.610 1.00 0.00 C ATOM 259 C PHE A 344 3.138 2.543 -4.741 1.00 0.00 C ATOM 260 O PHE A 344 2.778 1.608 -4.046 1.00 0.00 O ATOM 261 CB PHE A 344 3.941 2.175 -6.902 1.00 0.00 C ATOM 262 CG PHE A 344 5.018 2.073 -7.969 1.00 0.00 C ATOM 263 CD1 PHE A 344 5.527 3.211 -8.569 1.00 0.00 C ATOM 264 CD2 PHE A 344 5.528 0.836 -8.350 1.00 0.00 C ATOM 265 CE1 PHE A 344 6.516 3.125 -9.527 1.00 0.00 C ATOM 266 CE2 PHE A 344 6.521 0.744 -9.306 1.00 0.00 C ATOM 267 CZ PHE A 344 7.016 1.890 -9.895 1.00 0.00 C ATOM 0 H PHE A 344 4.796 0.449 -5.025 1.00 0.00 H new ATOM 0 HA PHE A 344 4.999 3.319 -5.543 1.00 0.00 H new ATOM 0 HB2 PHE A 344 3.366 1.249 -6.901 1.00 0.00 H new ATOM 0 HB3 PHE A 344 3.255 2.976 -7.178 1.00 0.00 H new ATOM 0 HD1 PHE A 344 5.145 4.180 -8.283 1.00 0.00 H new ATOM 0 HD2 PHE A 344 5.143 -0.063 -7.893 1.00 0.00 H new ATOM 0 HE1 PHE A 344 6.900 4.023 -9.989 1.00 0.00 H new ATOM 0 HE2 PHE A 344 6.909 -0.222 -9.592 1.00 0.00 H new ATOM 0 HZ PHE A 344 7.793 1.822 -10.642 1.00 0.00 H new ATOM 277 N CYS A 345 2.425 3.682 -4.798 1.00 0.00 N ATOM 278 CA CYS A 345 1.268 3.821 -3.931 1.00 0.00 C ATOM 279 C CYS A 345 -0.037 3.565 -4.693 1.00 0.00 C ATOM 280 O CYS A 345 -0.082 3.776 -5.892 1.00 0.00 O ATOM 281 CB CYS A 345 1.129 5.233 -3.451 1.00 0.00 C ATOM 282 SG CYS A 345 0.596 6.376 -4.728 1.00 0.00 S ATOM 0 H CYS A 345 2.624 4.476 -5.406 1.00 0.00 H new ATOM 0 HA CYS A 345 1.423 3.109 -3.121 1.00 0.00 H new ATOM 0 HB2 CYS A 345 0.413 5.260 -2.629 1.00 0.00 H new ATOM 0 HB3 CYS A 345 2.086 5.568 -3.051 1.00 0.00 H new ATOM 287 N TYR A 346 -1.125 3.152 -4.010 1.00 0.00 N ATOM 288 CA TYR A 346 -2.441 3.095 -4.726 1.00 0.00 C ATOM 289 C TYR A 346 -3.072 4.454 -5.080 1.00 0.00 C ATOM 290 O TYR A 346 -3.583 4.638 -6.163 1.00 0.00 O ATOM 291 CB TYR A 346 -3.430 2.023 -4.163 1.00 0.00 C ATOM 292 CG TYR A 346 -3.547 1.911 -2.704 1.00 0.00 C ATOM 293 CD1 TYR A 346 -3.570 2.973 -1.878 1.00 0.00 C ATOM 294 CD2 TYR A 346 -3.579 0.679 -2.156 1.00 0.00 C ATOM 295 CE1 TYR A 346 -3.651 2.779 -0.532 1.00 0.00 C ATOM 296 CE2 TYR A 346 -3.639 0.488 -0.842 1.00 0.00 C ATOM 297 CZ TYR A 346 -3.677 1.537 -0.030 1.00 0.00 C ATOM 298 OH TYR A 346 -3.789 1.348 1.308 1.00 0.00 O ATOM 0 H TYR A 346 -1.138 2.868 -3.030 1.00 0.00 H new ATOM 0 HA TYR A 346 -2.174 2.714 -5.712 1.00 0.00 H new ATOM 0 HB2 TYR A 346 -4.421 2.235 -4.565 1.00 0.00 H new ATOM 0 HB3 TYR A 346 -3.130 1.050 -4.552 1.00 0.00 H new ATOM 0 HD1 TYR A 346 -3.524 3.974 -2.280 1.00 0.00 H new ATOM 0 HD2 TYR A 346 -3.555 -0.182 -2.807 1.00 0.00 H new ATOM 0 HE1 TYR A 346 -3.694 3.629 0.133 1.00 0.00 H new ATOM 0 HE2 TYR A 346 -3.657 -0.513 -0.438 1.00 0.00 H new ATOM 0 HH TYR A 346 -3.026 1.762 1.762 1.00 0.00 H new ATOM 308 N GLY A 347 -2.948 5.415 -4.165 1.00 0.00 N ATOM 309 CA GLY A 347 -3.586 6.741 -4.331 1.00 0.00 C ATOM 310 C GLY A 347 -3.197 7.553 -5.565 1.00 0.00 C ATOM 311 O GLY A 347 -4.020 8.210 -6.139 1.00 0.00 O ATOM 0 H GLY A 347 -2.416 5.311 -3.301 1.00 0.00 H new ATOM 0 HA2 GLY A 347 -4.666 6.596 -4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 347 -3.359 7.338 -3.448 1.00 0.00 H new ATOM 315 N CYS A 348 -1.947 7.500 -5.972 1.00 0.00 N ATOM 316 CA CYS A 348 -1.536 8.331 -7.109 1.00 0.00 C ATOM 317 C CYS A 348 -0.839 7.493 -8.166 1.00 0.00 C ATOM 318 O CYS A 348 -0.533 7.966 -9.245 1.00 0.00 O ATOM 319 CB CYS A 348 -0.704 9.650 -6.684 1.00 0.00 C ATOM 320 SG CYS A 348 1.007 9.508 -5.900 1.00 0.00 S ATOM 0 H CYS A 348 -1.216 6.920 -5.561 1.00 0.00 H new ATOM 0 HA CYS A 348 -2.447 8.728 -7.558 1.00 0.00 H new ATOM 0 HB2 CYS A 348 -0.595 10.261 -7.580 1.00 0.00 H new ATOM 0 HB3 CYS A 348 -1.328 10.211 -5.989 1.00 0.00 H new ATOM 325 N GLN A 349 -0.584 6.210 -7.798 1.00 0.00 N ATOM 326 CA GLN A 349 0.228 5.258 -8.587 1.00 0.00 C ATOM 327 C GLN A 349 1.563 5.899 -8.817 1.00 0.00 C ATOM 328 O GLN A 349 2.220 5.754 -9.834 1.00 0.00 O ATOM 329 CB GLN A 349 -0.503 4.837 -9.865 1.00 0.00 C ATOM 330 CG GLN A 349 -1.815 4.124 -9.550 1.00 0.00 C ATOM 331 CD GLN A 349 -2.611 3.704 -10.763 1.00 0.00 C ATOM 332 OE1 GLN A 349 -2.526 4.310 -11.838 1.00 0.00 O ATOM 333 NE2 GLN A 349 -3.398 2.667 -10.601 1.00 0.00 N ATOM 0 H GLN A 349 -0.943 5.807 -6.933 1.00 0.00 H new ATOM 0 HA GLN A 349 0.387 4.322 -8.052 1.00 0.00 H new ATOM 0 HB2 GLN A 349 -0.703 5.716 -10.477 1.00 0.00 H new ATOM 0 HB3 GLN A 349 0.138 4.179 -10.452 1.00 0.00 H new ATOM 0 HG2 GLN A 349 -1.598 3.240 -8.951 1.00 0.00 H new ATOM 0 HG3 GLN A 349 -2.432 4.781 -8.937 1.00 0.00 H new ATOM 0 HE21 GLN A 349 -3.440 2.194 -9.698 1.00 0.00 H new ATOM 0 HE22 GLN A 349 -3.968 2.333 -11.378 1.00 0.00 H new ATOM 342 N GLY A 350 1.943 6.575 -7.774 1.00 0.00 N ATOM 343 CA GLY A 350 3.184 7.202 -7.636 1.00 0.00 C ATOM 344 C GLY A 350 4.092 6.258 -6.991 1.00 0.00 C ATOM 345 O GLY A 350 3.673 5.177 -6.643 1.00 0.00 O ATOM 0 H GLY A 350 1.344 6.699 -6.958 1.00 0.00 H new ATOM 0 HA2 GLY A 350 3.572 7.500 -8.610 1.00 0.00 H new ATOM 0 HA3 GLY A 350 3.089 8.109 -7.039 1.00 0.00 H new ATOM 349 N GLU A 351 5.221 6.687 -6.683 1.00 0.00 N ATOM 350 CA GLU A 351 6.223 5.842 -6.197 1.00 0.00 C ATOM 351 C GLU A 351 6.340 6.131 -4.727 1.00 0.00 C ATOM 352 O GLU A 351 6.286 7.283 -4.312 1.00 0.00 O ATOM 353 CB GLU A 351 7.525 6.083 -6.970 1.00 0.00 C ATOM 354 CG GLU A 351 8.630 5.110 -6.639 1.00 0.00 C ATOM 355 CD GLU A 351 9.922 5.398 -7.364 1.00 0.00 C ATOM 356 OE1 GLU A 351 10.025 6.422 -8.085 1.00 0.00 O ATOM 357 OE2 GLU A 351 10.844 4.562 -7.281 1.00 0.00 O ATOM 0 H GLU A 351 5.497 7.666 -6.759 1.00 0.00 H new ATOM 0 HA GLU A 351 5.990 4.786 -6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 351 7.316 6.028 -8.038 1.00 0.00 H new ATOM 0 HB3 GLU A 351 7.874 7.095 -6.765 1.00 0.00 H new ATOM 0 HG2 GLU A 351 8.813 5.132 -5.565 1.00 0.00 H new ATOM 0 HG3 GLU A 351 8.301 4.101 -6.886 1.00 0.00 H new ATOM 364 N LEU A 352 6.434 5.095 -3.956 1.00 0.00 N ATOM 365 CA LEU A 352 6.439 5.164 -2.487 1.00 0.00 C ATOM 366 C LEU A 352 7.636 5.891 -1.964 1.00 0.00 C ATOM 367 O LEU A 352 7.623 6.509 -0.897 1.00 0.00 O ATOM 368 CB LEU A 352 6.487 3.836 -1.844 1.00 0.00 C ATOM 369 CG LEU A 352 5.525 2.863 -2.179 1.00 0.00 C ATOM 370 CD1 LEU A 352 5.670 1.734 -1.192 1.00 0.00 C ATOM 371 CD2 LEU A 352 4.223 3.455 -2.090 1.00 0.00 C ATOM 0 H LEU A 352 6.512 4.144 -4.316 1.00 0.00 H new ATOM 0 HA LEU A 352 5.509 5.680 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 352 7.468 3.409 -2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 352 6.429 3.993 -0.767 1.00 0.00 H new ATOM 0 HG LEU A 352 5.662 2.487 -3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 352 4.940 0.957 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 352 6.675 1.318 -1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 352 5.500 2.109 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 352 3.467 2.713 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 352 4.053 3.809 -1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 352 4.157 4.294 -2.782 1.00 0.00 H new ATOM 383 N LYS A 353 8.634 5.791 -2.761 1.00 0.00 N ATOM 384 CA LYS A 353 10.023 5.928 -2.483 1.00 0.00 C ATOM 385 C LYS A 353 10.418 7.222 -1.749 1.00 0.00 C ATOM 386 O LYS A 353 11.454 7.240 -1.106 1.00 0.00 O ATOM 387 CB LYS A 353 10.797 5.747 -3.780 1.00 0.00 C ATOM 388 CG LYS A 353 12.267 5.656 -3.585 1.00 0.00 C ATOM 389 CD LYS A 353 12.591 4.301 -2.985 1.00 0.00 C ATOM 390 CE LYS A 353 14.084 4.134 -2.755 1.00 0.00 C ATOM 391 NZ LYS A 353 14.873 4.303 -3.994 1.00 0.00 N ATOM 0 H LYS A 353 8.481 5.585 -3.748 1.00 0.00 H new ATOM 0 HA LYS A 353 10.286 5.147 -1.770 1.00 0.00 H new ATOM 0 HB2 LYS A 353 10.448 4.843 -4.279 1.00 0.00 H new ATOM 0 HB3 LYS A 353 10.578 6.583 -4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 353 12.784 5.782 -4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 353 12.612 6.454 -2.927 1.00 0.00 H new ATOM 0 HD2 LYS A 353 12.061 4.185 -2.039 1.00 0.00 H new ATOM 0 HD3 LYS A 353 12.234 3.514 -3.649 1.00 0.00 H new ATOM 0 HE2 LYS A 353 14.417 4.861 -2.015 1.00 0.00 H new ATOM 0 HE3 LYS A 353 14.275 3.145 -2.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 353 15.849 3.983 -3.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 353 14.447 3.739 -4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 353 14.879 5.306 -4.268 1.00 0.00 H new ATOM 405 N ASP A 354 9.608 8.278 -1.852 1.00 0.00 N ATOM 406 CA ASP A 354 9.955 9.614 -1.310 1.00 0.00 C ATOM 407 C ASP A 354 10.440 9.524 0.133 1.00 0.00 C ATOM 408 O ASP A 354 11.408 10.202 0.498 1.00 0.00 O ATOM 409 CB ASP A 354 8.683 10.492 -1.247 1.00 0.00 C ATOM 410 CG ASP A 354 8.968 11.936 -0.894 1.00 0.00 C ATOM 411 OD1 ASP A 354 9.365 12.705 -1.791 1.00 0.00 O ATOM 412 OD2 ASP A 354 8.824 12.328 0.287 1.00 0.00 O ATOM 0 H ASP A 354 8.697 8.243 -2.309 1.00 0.00 H new ATOM 0 HA ASP A 354 10.727 10.025 -1.960 1.00 0.00 H new ATOM 0 HB2 ASP A 354 8.176 10.454 -2.211 1.00 0.00 H new ATOM 0 HB3 ASP A 354 7.998 10.074 -0.510 1.00 0.00 H new ATOM 417 N GLN A 355 9.837 8.659 0.949 1.00 0.00 N ATOM 418 CA GLN A 355 10.303 8.567 2.317 1.00 0.00 C ATOM 419 C GLN A 355 10.010 7.255 3.044 1.00 0.00 C ATOM 420 O GLN A 355 10.894 6.703 3.670 1.00 0.00 O ATOM 421 CB GLN A 355 9.928 9.802 3.129 1.00 0.00 C ATOM 422 CG GLN A 355 8.453 10.027 3.343 1.00 0.00 C ATOM 423 CD GLN A 355 8.185 11.395 3.912 1.00 0.00 C ATOM 424 OE1 GLN A 355 8.875 12.381 3.406 1.00 0.00 O flip ATOM 425 NE2 GLN A 355 7.284 11.577 4.710 1.00 0.00 N flip ATOM 0 H GLN A 355 9.064 8.043 0.697 1.00 0.00 H new ATOM 0 HA GLN A 355 11.389 8.546 2.226 1.00 0.00 H new ATOM 0 HB2 GLN A 355 10.410 9.732 4.104 1.00 0.00 H new ATOM 0 HB3 GLN A 355 10.341 10.679 2.631 1.00 0.00 H new ATOM 0 HG2 GLN A 355 7.925 9.915 2.396 1.00 0.00 H new ATOM 0 HG3 GLN A 355 8.061 9.267 4.019 1.00 0.00 H new ATOM 0 HE21 GLN A 355 6.766 10.782 5.085 1.00 0.00 H new ATOM 0 HE22 GLN A 355 7.047 12.524 5.004 1.00 0.00 H new ATOM 434 N HIS A 356 8.788 6.771 3.006 1.00 0.00 N ATOM 435 CA HIS A 356 8.442 5.578 3.773 1.00 0.00 C ATOM 436 C HIS A 356 7.577 4.645 2.922 1.00 0.00 C ATOM 437 O HIS A 356 7.024 5.072 1.913 1.00 0.00 O ATOM 438 CB HIS A 356 7.680 6.003 5.025 1.00 0.00 C ATOM 439 CG HIS A 356 8.176 5.455 6.338 1.00 0.00 C ATOM 440 ND1 HIS A 356 8.839 6.227 7.265 1.00 0.00 N ATOM 441 CD2 HIS A 356 8.045 4.234 6.907 1.00 0.00 C ATOM 442 CE1 HIS A 356 9.085 5.513 8.340 1.00 0.00 C ATOM 443 NE2 HIS A 356 8.612 4.299 8.155 1.00 0.00 N ATOM 0 H HIS A 356 8.023 7.172 2.464 1.00 0.00 H new ATOM 0 HA HIS A 356 9.349 5.045 4.059 1.00 0.00 H new ATOM 0 HB2 HIS A 356 7.699 7.091 5.082 1.00 0.00 H new ATOM 0 HB3 HIS A 356 6.638 5.708 4.905 1.00 0.00 H new ATOM 0 HD2 HIS A 356 7.580 3.368 6.461 1.00 0.00 H new ATOM 0 HE1 HIS A 356 9.591 5.864 9.227 1.00 0.00 H new ATOM 0 HE2 HIS A 356 8.659 3.534 8.827 1.00 0.00 H new ATOM 452 N VAL A 357 7.451 3.403 3.343 1.00 0.00 N ATOM 453 CA VAL A 357 6.639 2.398 2.669 1.00 0.00 C ATOM 454 C VAL A 357 5.435 2.081 3.564 1.00 0.00 C ATOM 455 O VAL A 357 5.557 1.988 4.775 1.00 0.00 O ATOM 456 CB VAL A 357 7.454 1.090 2.442 1.00 0.00 C ATOM 457 CG1 VAL A 357 6.675 0.058 1.696 1.00 0.00 C ATOM 458 CG2 VAL A 357 8.750 1.367 1.741 1.00 0.00 C ATOM 0 H VAL A 357 7.918 3.052 4.179 1.00 0.00 H new ATOM 0 HA VAL A 357 6.321 2.782 1.700 1.00 0.00 H new ATOM 0 HB VAL A 357 7.672 0.689 3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 357 7.287 -0.834 1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 357 5.777 -0.198 2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 357 6.391 0.452 0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 357 9.293 0.433 1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 357 8.549 1.821 0.771 1.00 0.00 H new ATOM 0 HG23 VAL A 357 9.351 2.048 2.343 1.00 0.00 H new ATOM 468 N TYR A 358 4.295 2.021 2.979 1.00 0.00 N ATOM 469 CA TYR A 358 3.046 1.793 3.682 1.00 0.00 C ATOM 470 C TYR A 358 2.368 0.560 3.208 1.00 0.00 C ATOM 471 O TYR A 358 2.432 0.239 2.045 1.00 0.00 O ATOM 472 CB TYR A 358 2.204 3.063 3.537 1.00 0.00 C ATOM 473 CG TYR A 358 2.863 4.187 4.251 1.00 0.00 C ATOM 474 CD1 TYR A 358 3.774 4.989 3.612 1.00 0.00 C ATOM 475 CD2 TYR A 358 2.635 4.384 5.594 1.00 0.00 C ATOM 476 CE1 TYR A 358 4.451 5.948 4.275 1.00 0.00 C ATOM 477 CE2 TYR A 358 3.290 5.364 6.279 1.00 0.00 C ATOM 478 CZ TYR A 358 4.206 6.142 5.627 1.00 0.00 C ATOM 479 OH TYR A 358 4.900 7.093 6.337 1.00 0.00 O ATOM 0 H TYR A 358 4.181 2.130 1.971 1.00 0.00 H new ATOM 0 HA TYR A 358 3.218 1.608 4.742 1.00 0.00 H new ATOM 0 HB2 TYR A 358 2.082 3.311 2.483 1.00 0.00 H new ATOM 0 HB3 TYR A 358 1.206 2.897 3.943 1.00 0.00 H new ATOM 0 HD1 TYR A 358 3.953 4.849 2.556 1.00 0.00 H new ATOM 0 HD2 TYR A 358 1.928 3.754 6.112 1.00 0.00 H new ATOM 0 HE1 TYR A 358 5.177 6.559 3.759 1.00 0.00 H new ATOM 0 HE2 TYR A 358 3.087 5.524 7.328 1.00 0.00 H new ATOM 0 HH TYR A 358 4.598 7.091 7.269 1.00 0.00 H new ATOM 489 N VAL A 359 1.799 -0.164 4.112 1.00 0.00 N ATOM 490 CA VAL A 359 1.039 -1.340 3.777 1.00 0.00 C ATOM 491 C VAL A 359 -0.369 -1.223 4.191 1.00 0.00 C ATOM 492 O VAL A 359 -0.640 -0.873 5.325 1.00 0.00 O ATOM 493 CB VAL A 359 1.657 -2.641 4.422 1.00 0.00 C ATOM 494 CG1 VAL A 359 0.811 -3.874 4.142 1.00 0.00 C ATOM 495 CG2 VAL A 359 2.967 -2.901 3.786 1.00 0.00 C ATOM 0 H VAL A 359 1.843 0.037 5.111 1.00 0.00 H new ATOM 0 HA VAL A 359 1.082 -1.425 2.691 1.00 0.00 H new ATOM 0 HB VAL A 359 1.722 -2.471 5.497 1.00 0.00 H new ATOM 0 HG11 VAL A 359 1.274 -4.746 4.605 1.00 0.00 H new ATOM 0 HG12 VAL A 359 -0.188 -3.732 4.555 1.00 0.00 H new ATOM 0 HG13 VAL A 359 0.740 -4.030 3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 359 3.410 -3.798 4.219 1.00 0.00 H new ATOM 0 HG22 VAL A 359 2.829 -3.046 2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 359 3.628 -2.051 3.955 1.00 0.00 H new ATOM 505 N CYS A 360 -1.308 -1.522 3.295 1.00 0.00 N ATOM 506 CA CYS A 360 -2.643 -1.716 3.844 1.00 0.00 C ATOM 507 C CYS A 360 -2.853 -3.176 3.684 1.00 0.00 C ATOM 508 O CYS A 360 -3.129 -3.578 2.598 1.00 0.00 O ATOM 509 CB CYS A 360 -3.807 -1.048 3.071 1.00 0.00 C ATOM 510 SG CYS A 360 -5.412 -0.785 3.954 1.00 0.00 S ATOM 0 H CYS A 360 -1.192 -1.627 2.287 1.00 0.00 H new ATOM 0 HA CYS A 360 -2.667 -1.289 4.846 1.00 0.00 H new ATOM 0 HB2 CYS A 360 -3.458 -0.077 2.719 1.00 0.00 H new ATOM 0 HB3 CYS A 360 -4.009 -1.653 2.187 1.00 0.00 H new ATOM 515 N ALA A 361 -2.841 -3.973 4.721 1.00 0.00 N ATOM 516 CA ALA A 361 -3.053 -5.442 4.558 1.00 0.00 C ATOM 517 C ALA A 361 -4.469 -5.686 4.020 1.00 0.00 C ATOM 518 O ALA A 361 -4.815 -6.731 3.504 1.00 0.00 O ATOM 519 CB ALA A 361 -2.853 -6.159 5.887 1.00 0.00 C ATOM 0 H ALA A 361 -2.692 -3.666 5.682 1.00 0.00 H new ATOM 0 HA ALA A 361 -2.325 -5.839 3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 361 -3.011 -7.229 5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 361 -1.838 -5.985 6.245 1.00 0.00 H new ATOM 0 HB3 ALA A 361 -3.566 -5.777 6.617 1.00 0.00 H new ATOM 525 N VAL A 362 -5.240 -4.679 4.187 1.00 0.00 N ATOM 526 CA VAL A 362 -6.589 -4.602 3.811 1.00 0.00 C ATOM 527 C VAL A 362 -6.710 -4.430 2.321 1.00 0.00 C ATOM 528 O VAL A 362 -7.578 -4.966 1.724 1.00 0.00 O ATOM 529 CB VAL A 362 -7.366 -3.509 4.594 1.00 0.00 C ATOM 530 CG1 VAL A 362 -8.805 -3.396 4.111 1.00 0.00 C ATOM 531 CG2 VAL A 362 -7.326 -3.795 6.089 1.00 0.00 C ATOM 0 H VAL A 362 -4.911 -3.820 4.627 1.00 0.00 H new ATOM 0 HA VAL A 362 -7.061 -5.547 4.081 1.00 0.00 H new ATOM 0 HB VAL A 362 -6.876 -2.553 4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 362 -9.320 -2.622 4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 362 -8.814 -3.135 3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 362 -9.313 -4.350 4.254 1.00 0.00 H new ATOM 0 HG21 VAL A 362 -7.875 -3.019 6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 362 -7.783 -4.765 6.286 1.00 0.00 H new ATOM 0 HG23 VAL A 362 -6.291 -3.806 6.430 1.00 0.00 H new ATOM 541 N CYS A 363 -5.772 -3.645 1.713 1.00 0.00 N ATOM 542 CA CYS A 363 -5.971 -3.222 0.371 1.00 0.00 C ATOM 543 C CYS A 363 -4.616 -2.935 -0.241 1.00 0.00 C ATOM 544 O CYS A 363 -3.875 -2.175 0.327 1.00 0.00 O ATOM 545 CB CYS A 363 -6.902 -2.055 0.302 1.00 0.00 C ATOM 546 SG CYS A 363 -6.143 -0.504 0.632 1.00 0.00 S ATOM 0 H CYS A 363 -4.909 -3.322 2.149 1.00 0.00 H new ATOM 0 HA CYS A 363 -6.453 -4.010 -0.208 1.00 0.00 H new ATOM 0 HB2 CYS A 363 -7.352 -2.022 -0.690 1.00 0.00 H new ATOM 0 HB3 CYS A 363 -7.712 -2.209 1.015 1.00 0.00 H new ATOM 551 N GLN A 364 -4.383 -3.471 -1.432 1.00 0.00 N ATOM 552 CA GLN A 364 -3.060 -3.805 -2.195 1.00 0.00 C ATOM 553 C GLN A 364 -1.818 -4.027 -1.387 1.00 0.00 C ATOM 554 O GLN A 364 -0.863 -4.633 -1.838 1.00 0.00 O ATOM 555 CB GLN A 364 -2.673 -3.019 -3.406 1.00 0.00 C ATOM 556 CG GLN A 364 -1.818 -1.782 -3.073 1.00 0.00 C ATOM 557 CD GLN A 364 -1.273 -1.069 -4.295 1.00 0.00 C ATOM 558 OE1 GLN A 364 -1.190 0.240 -4.264 1.00 0.00 O flip ATOM 559 NE2 GLN A 364 -1.022 -1.686 -5.313 1.00 0.00 N flip ATOM 0 H GLN A 364 -5.181 -3.738 -2.009 1.00 0.00 H new ATOM 0 HA GLN A 364 -3.450 -4.760 -2.546 1.00 0.00 H new ATOM 0 HB2 GLN A 364 -2.119 -3.663 -4.089 1.00 0.00 H new ATOM 0 HB3 GLN A 364 -3.575 -2.700 -3.929 1.00 0.00 H new ATOM 0 HG2 GLN A 364 -2.419 -1.082 -2.493 1.00 0.00 H new ATOM 0 HG3 GLN A 364 -0.985 -2.087 -2.440 1.00 0.00 H new ATOM 0 HE21 GLN A 364 -1.091 -2.704 -5.323 1.00 0.00 H new ATOM 0 HE22 GLN A 364 -0.743 -1.186 -6.157 1.00 0.00 H new ATOM 568 N ASN A 365 -1.894 -3.546 -0.295 1.00 0.00 N ATOM 569 CA ASN A 365 -1.040 -3.651 0.776 1.00 0.00 C ATOM 570 C ASN A 365 0.163 -2.741 0.588 1.00 0.00 C ATOM 571 O ASN A 365 1.017 -2.782 1.352 1.00 0.00 O ATOM 572 CB ASN A 365 -0.595 -5.156 0.969 1.00 0.00 C ATOM 573 CG ASN A 365 -1.726 -6.230 0.936 1.00 0.00 C ATOM 574 OD1 ASN A 365 -1.542 -7.325 0.448 1.00 0.00 O ATOM 575 ND2 ASN A 365 -2.875 -5.925 1.423 1.00 0.00 N ATOM 0 H ASN A 365 -2.692 -2.956 -0.058 1.00 0.00 H new ATOM 0 HA ASN A 365 -1.561 -3.331 1.678 1.00 0.00 H new ATOM 0 HB2 ASN A 365 0.128 -5.400 0.191 1.00 0.00 H new ATOM 0 HB3 ASN A 365 -0.076 -5.238 1.924 1.00 0.00 H new ATOM 0 HD21 ASN A 365 -3.635 -6.604 1.400 1.00 0.00 H new ATOM 0 HD22 ASN A 365 -3.027 -5.003 1.833 1.00 0.00 H new ATOM 582 N VAL A 366 0.146 -1.814 -0.378 1.00 0.00 N ATOM 583 CA VAL A 366 1.301 -0.904 -0.543 1.00 0.00 C ATOM 584 C VAL A 366 0.828 0.571 -0.719 1.00 0.00 C ATOM 585 O VAL A 366 -0.123 0.804 -1.502 1.00 0.00 O ATOM 586 CB VAL A 366 2.104 -1.310 -1.803 1.00 0.00 C ATOM 587 CG1 VAL A 366 3.404 -0.593 -1.924 1.00 0.00 C ATOM 588 CG2 VAL A 366 2.249 -2.782 -1.913 1.00 0.00 C ATOM 0 H VAL A 366 -0.619 -1.671 -1.037 1.00 0.00 H new ATOM 0 HA VAL A 366 1.921 -0.980 0.351 1.00 0.00 H new ATOM 0 HB VAL A 366 1.515 -0.986 -2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 366 3.918 -0.922 -2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 366 3.224 0.481 -1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 366 4.023 -0.812 -1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 366 2.818 -3.026 -2.810 1.00 0.00 H new ATOM 0 HG22 VAL A 366 2.773 -3.163 -1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 366 1.262 -3.241 -1.974 1.00 0.00 H new ATOM 598 N PHE A 367 1.419 1.564 0.017 1.00 0.00 N ATOM 599 CA PHE A 367 1.221 2.975 -0.332 1.00 0.00 C ATOM 600 C PHE A 367 2.221 4.034 0.129 1.00 0.00 C ATOM 601 O PHE A 367 3.166 3.749 0.821 1.00 0.00 O ATOM 602 CB PHE A 367 -0.151 3.490 -0.465 1.00 0.00 C ATOM 603 CG PHE A 367 -0.945 3.779 0.701 1.00 0.00 C ATOM 604 CD1 PHE A 367 -1.056 2.958 1.795 1.00 0.00 C ATOM 605 CD2 PHE A 367 -1.720 4.873 0.607 1.00 0.00 C ATOM 606 CE1 PHE A 367 -1.966 3.280 2.775 1.00 0.00 C ATOM 607 CE2 PHE A 367 -2.584 5.203 1.536 1.00 0.00 C ATOM 608 CZ PHE A 367 -2.741 4.427 2.629 1.00 0.00 C ATOM 0 H PHE A 367 2.016 1.403 0.828 1.00 0.00 H new ATOM 0 HA PHE A 367 1.546 2.790 -1.356 1.00 0.00 H new ATOM 0 HB2 PHE A 367 -0.093 4.408 -1.049 1.00 0.00 H new ATOM 0 HB3 PHE A 367 -0.708 2.767 -1.061 1.00 0.00 H new ATOM 0 HD1 PHE A 367 -0.440 2.075 1.885 1.00 0.00 H new ATOM 0 HD2 PHE A 367 -1.628 5.503 -0.265 1.00 0.00 H new ATOM 0 HE1 PHE A 367 -2.078 2.651 3.646 1.00 0.00 H new ATOM 0 HE2 PHE A 367 -3.174 6.101 1.426 1.00 0.00 H new ATOM 0 HZ PHE A 367 -3.464 4.694 3.386 1.00 0.00 H new ATOM 618 N CYS A 368 2.025 5.270 -0.394 1.00 0.00 N ATOM 619 CA CYS A 368 2.877 6.414 -0.082 1.00 0.00 C ATOM 620 C CYS A 368 2.326 7.030 1.109 1.00 0.00 C ATOM 621 O CYS A 368 1.118 6.904 1.376 1.00 0.00 O ATOM 622 CB CYS A 368 2.667 7.603 -1.008 1.00 0.00 C ATOM 623 SG CYS A 368 2.836 7.496 -2.728 1.00 0.00 S ATOM 0 H CYS A 368 1.268 5.488 -1.042 1.00 0.00 H new ATOM 0 HA CYS A 368 3.895 6.023 -0.081 1.00 0.00 H new ATOM 0 HB2 CYS A 368 1.658 7.970 -0.818 1.00 0.00 H new ATOM 0 HB3 CYS A 368 3.356 8.380 -0.676 1.00 0.00 H new ATOM 628 N VAL A 369 3.150 7.738 1.769 1.00 0.00 N ATOM 629 CA VAL A 369 2.726 8.620 2.780 1.00 0.00 C ATOM 630 C VAL A 369 1.767 9.709 2.252 1.00 0.00 C ATOM 631 O VAL A 369 0.782 10.021 2.910 1.00 0.00 O ATOM 632 CB VAL A 369 3.903 9.120 3.645 1.00 0.00 C ATOM 633 CG1 VAL A 369 4.917 9.835 2.782 1.00 0.00 C ATOM 634 CG2 VAL A 369 3.423 10.022 4.780 1.00 0.00 C ATOM 0 H VAL A 369 4.159 7.722 1.621 1.00 0.00 H new ATOM 0 HA VAL A 369 2.107 8.058 3.479 1.00 0.00 H new ATOM 0 HB VAL A 369 4.379 8.252 4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 369 5.742 10.183 3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 369 5.297 9.150 2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 369 4.444 10.688 2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 369 4.279 10.355 5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 369 2.910 10.889 4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 369 2.737 9.467 5.420 1.00 0.00 H new ATOM 644 N ASP A 370 2.006 10.221 1.014 1.00 0.00 N ATOM 645 CA ASP A 370 1.057 11.187 0.427 1.00 0.00 C ATOM 646 C ASP A 370 -0.298 10.576 0.261 1.00 0.00 C ATOM 647 O ASP A 370 -1.310 11.210 0.363 1.00 0.00 O ATOM 648 CB ASP A 370 1.495 11.784 -0.950 1.00 0.00 C ATOM 649 CG ASP A 370 1.609 10.863 -2.234 1.00 0.00 C ATOM 650 OD1 ASP A 370 1.156 9.659 -2.297 1.00 0.00 O ATOM 651 OD2 ASP A 370 2.050 11.351 -3.242 1.00 0.00 O ATOM 0 H ASP A 370 2.811 9.990 0.431 1.00 0.00 H new ATOM 0 HA ASP A 370 1.036 12.008 1.143 1.00 0.00 H new ATOM 0 HB2 ASP A 370 0.794 12.583 -1.190 1.00 0.00 H new ATOM 0 HB3 ASP A 370 2.470 12.249 -0.802 1.00 0.00 H new ATOM 656 N CYS A 371 -0.294 9.361 -0.051 1.00 0.00 N ATOM 657 CA CYS A 371 -1.482 8.687 -0.268 1.00 0.00 C ATOM 658 C CYS A 371 -2.487 8.486 0.845 1.00 0.00 C ATOM 659 O CYS A 371 -3.668 8.365 0.568 1.00 0.00 O ATOM 660 CB CYS A 371 -1.413 7.692 -1.344 1.00 0.00 C ATOM 661 SG CYS A 371 -1.233 8.551 -2.899 1.00 0.00 S ATOM 0 H CYS A 371 0.548 8.796 -0.165 1.00 0.00 H new ATOM 0 HA CYS A 371 -2.089 9.500 -0.667 1.00 0.00 H new ATOM 0 HB2 CYS A 371 -0.571 7.018 -1.184 1.00 0.00 H new ATOM 0 HB3 CYS A 371 -2.314 7.079 -1.352 1.00 0.00 H new ATOM 666 N ASP A 372 -2.046 8.361 2.064 1.00 0.00 N ATOM 667 CA ASP A 372 -2.995 8.376 3.183 1.00 0.00 C ATOM 668 C ASP A 372 -3.734 9.708 3.312 1.00 0.00 C ATOM 669 O ASP A 372 -4.922 9.737 3.593 1.00 0.00 O ATOM 670 CB ASP A 372 -2.345 7.903 4.479 1.00 0.00 C ATOM 671 CG ASP A 372 -3.318 7.849 5.621 1.00 0.00 C ATOM 672 OD1 ASP A 372 -4.125 6.899 5.702 1.00 0.00 O ATOM 673 OD2 ASP A 372 -3.261 8.732 6.497 1.00 0.00 O ATOM 0 H ASP A 372 -1.066 8.249 2.323 1.00 0.00 H new ATOM 0 HA ASP A 372 -3.774 7.648 2.956 1.00 0.00 H new ATOM 0 HB2 ASP A 372 -1.914 6.914 4.326 1.00 0.00 H new ATOM 0 HB3 ASP A 372 -1.524 8.573 4.736 1.00 0.00 H new ATOM 678 N VAL A 373 -3.021 10.819 3.103 1.00 0.00 N ATOM 679 CA VAL A 373 -3.662 12.129 3.050 1.00 0.00 C ATOM 680 C VAL A 373 -4.637 12.251 1.873 1.00 0.00 C ATOM 681 O VAL A 373 -5.665 12.937 1.961 1.00 0.00 O ATOM 682 CB VAL A 373 -2.710 13.379 3.182 1.00 0.00 C ATOM 683 CG1 VAL A 373 -1.867 13.623 1.950 1.00 0.00 C ATOM 684 CG2 VAL A 373 -3.521 14.622 3.506 1.00 0.00 C ATOM 0 H VAL A 373 -2.010 10.835 2.969 1.00 0.00 H new ATOM 0 HA VAL A 373 -4.242 12.165 3.972 1.00 0.00 H new ATOM 0 HB VAL A 373 -2.020 13.157 3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 373 -1.236 14.497 2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 373 -1.240 12.752 1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 373 -2.517 13.796 1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 373 -2.853 15.479 3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 373 -4.242 14.804 2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 373 -4.051 14.476 4.447 1.00 0.00 H new ATOM 694 N PHE A 374 -4.317 11.516 0.792 1.00 0.00 N ATOM 695 CA PHE A 374 -5.008 11.620 -0.503 1.00 0.00 C ATOM 696 C PHE A 374 -6.486 11.427 -0.295 1.00 0.00 C ATOM 697 O PHE A 374 -7.332 12.156 -0.824 1.00 0.00 O ATOM 698 CB PHE A 374 -4.601 10.398 -1.390 1.00 0.00 C ATOM 699 CG PHE A 374 -5.072 10.438 -2.797 1.00 0.00 C ATOM 700 CD1 PHE A 374 -4.388 11.156 -3.755 1.00 0.00 C ATOM 701 CD2 PHE A 374 -6.189 9.751 -3.160 1.00 0.00 C ATOM 702 CE1 PHE A 374 -4.833 11.186 -5.054 1.00 0.00 C ATOM 703 CE2 PHE A 374 -6.640 9.770 -4.438 1.00 0.00 C ATOM 704 CZ PHE A 374 -5.970 10.490 -5.399 1.00 0.00 C ATOM 0 H PHE A 374 -3.564 10.827 0.795 1.00 0.00 H new ATOM 0 HA PHE A 374 -4.760 12.584 -0.947 1.00 0.00 H new ATOM 0 HB2 PHE A 374 -3.514 10.320 -1.392 1.00 0.00 H new ATOM 0 HB3 PHE A 374 -4.984 9.490 -0.924 1.00 0.00 H new ATOM 0 HD1 PHE A 374 -3.495 11.699 -3.482 1.00 0.00 H new ATOM 0 HD2 PHE A 374 -6.726 9.180 -2.417 1.00 0.00 H new ATOM 0 HE1 PHE A 374 -4.295 11.752 -5.800 1.00 0.00 H new ATOM 0 HE2 PHE A 374 -7.529 9.217 -4.703 1.00 0.00 H new ATOM 0 HZ PHE A 374 -6.333 10.509 -6.416 1.00 0.00 H new ATOM 714 N VAL A 375 -6.750 10.445 0.476 1.00 0.00 N ATOM 715 CA VAL A 375 -8.040 9.949 0.711 1.00 0.00 C ATOM 716 C VAL A 375 -9.036 10.895 1.394 1.00 0.00 C ATOM 717 O VAL A 375 -10.211 10.861 1.072 1.00 0.00 O ATOM 718 CB VAL A 375 -7.978 8.611 1.405 1.00 0.00 C ATOM 719 CG1 VAL A 375 -7.671 8.672 2.821 1.00 0.00 C ATOM 720 CG2 VAL A 375 -9.138 7.807 1.171 1.00 0.00 C ATOM 0 H VAL A 375 -6.027 9.939 0.988 1.00 0.00 H new ATOM 0 HA VAL A 375 -8.462 9.836 -0.287 1.00 0.00 H new ATOM 0 HB VAL A 375 -7.125 8.122 0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 375 -7.648 7.663 3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 375 -6.698 9.143 2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 375 -8.435 9.256 3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 375 -9.034 6.857 1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 375 -10.022 8.329 1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 375 -9.242 7.621 0.102 1.00 0.00 H new ATOM 730 N HIS A 376 -8.544 11.759 2.281 1.00 0.00 N ATOM 731 CA HIS A 376 -9.411 12.482 3.245 1.00 0.00 C ATOM 732 C HIS A 376 -10.586 13.233 2.639 1.00 0.00 C ATOM 733 O HIS A 376 -11.673 13.271 3.235 1.00 0.00 O ATOM 734 CB HIS A 376 -8.634 13.421 4.183 1.00 0.00 C ATOM 735 CG HIS A 376 -7.639 12.759 5.090 1.00 0.00 C ATOM 736 ND1 HIS A 376 -6.299 12.834 5.095 1.00 0.00 N flip ATOM 737 CD2 HIS A 376 -7.972 11.944 6.146 1.00 0.00 C flip ATOM 738 CE1 HIS A 376 -5.795 12.078 6.146 1.00 0.00 C flip ATOM 739 NE2 HIS A 376 -6.846 11.566 6.748 1.00 0.00 N flip ATOM 0 H HIS A 376 -7.552 11.984 2.362 1.00 0.00 H new ATOM 0 HA HIS A 376 -9.831 11.662 3.827 1.00 0.00 H new ATOM 0 HB2 HIS A 376 -8.109 14.158 3.575 1.00 0.00 H new ATOM 0 HB3 HIS A 376 -9.351 13.966 4.797 1.00 0.00 H new ATOM 0 HD2 HIS A 376 -8.973 11.660 6.437 1.00 0.00 H new ATOM 0 HE1 HIS A 376 -4.758 11.940 6.413 1.00 0.00 H new ATOM 0 HE2 HIS A 376 -6.804 10.960 7.567 1.00 0.00 H new ATOM 747 N ASP A 377 -10.402 13.815 1.498 1.00 0.00 N ATOM 748 CA ASP A 377 -11.457 14.596 0.918 1.00 0.00 C ATOM 749 C ASP A 377 -12.391 13.820 -0.028 1.00 0.00 C ATOM 750 O ASP A 377 -13.484 13.432 0.374 1.00 0.00 O ATOM 751 CB ASP A 377 -10.933 15.953 0.352 1.00 0.00 C ATOM 752 CG ASP A 377 -9.882 15.858 -0.760 1.00 0.00 C ATOM 753 OD1 ASP A 377 -9.626 14.768 -1.288 1.00 0.00 O ATOM 754 OD2 ASP A 377 -9.241 16.884 -1.058 1.00 0.00 O ATOM 0 H ASP A 377 -9.543 13.768 0.951 1.00 0.00 H new ATOM 0 HA ASP A 377 -12.124 14.853 1.741 1.00 0.00 H new ATOM 0 HB2 ASP A 377 -11.784 16.518 -0.028 1.00 0.00 H new ATOM 0 HB3 ASP A 377 -10.510 16.528 1.176 1.00 0.00 H new ATOM 759 N SER A 378 -11.985 13.621 -1.241 1.00 0.00 N ATOM 760 CA SER A 378 -12.752 12.908 -2.250 1.00 0.00 C ATOM 761 C SER A 378 -13.064 11.415 -1.908 1.00 0.00 C ATOM 762 O SER A 378 -14.131 10.885 -2.251 1.00 0.00 O ATOM 763 CB SER A 378 -12.046 13.043 -3.599 1.00 0.00 C ATOM 764 OG SER A 378 -11.834 14.417 -3.908 1.00 0.00 O ATOM 0 H SER A 378 -11.084 13.955 -1.582 1.00 0.00 H new ATOM 0 HA SER A 378 -13.735 13.377 -2.287 1.00 0.00 H new ATOM 0 HB2 SER A 378 -11.092 12.517 -3.572 1.00 0.00 H new ATOM 0 HB3 SER A 378 -12.646 12.575 -4.380 1.00 0.00 H new ATOM 0 HG SER A 378 -11.380 14.491 -4.773 1.00 0.00 H new ATOM 770 N LEU A 379 -12.137 10.766 -1.235 1.00 0.00 N ATOM 771 CA LEU A 379 -12.153 9.314 -1.074 1.00 0.00 C ATOM 772 C LEU A 379 -12.764 8.774 0.211 1.00 0.00 C ATOM 773 O LEU A 379 -12.723 9.392 1.278 1.00 0.00 O ATOM 774 CB LEU A 379 -10.838 8.650 -1.348 1.00 0.00 C ATOM 775 CG LEU A 379 -10.219 8.783 -2.723 1.00 0.00 C ATOM 776 CD1 LEU A 379 -9.635 10.168 -2.927 1.00 0.00 C ATOM 777 CD2 LEU A 379 -9.166 7.713 -2.884 1.00 0.00 C ATOM 0 H LEU A 379 -11.347 11.224 -0.781 1.00 0.00 H new ATOM 0 HA LEU A 379 -12.850 9.034 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 379 -10.119 9.035 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 379 -10.958 7.586 -1.143 1.00 0.00 H new ATOM 0 HG LEU A 379 -10.988 8.650 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 379 -9.197 10.235 -3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 379 -10.423 10.914 -2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 379 -8.864 10.352 -2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 379 -8.711 7.796 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 379 -8.400 7.839 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 379 -9.626 6.731 -2.778 1.00 0.00 H new ATOM 789 N HIS A 380 -13.295 7.577 0.067 1.00 0.00 N ATOM 790 CA HIS A 380 -14.070 6.873 1.070 1.00 0.00 C ATOM 791 C HIS A 380 -13.418 6.641 2.443 1.00 0.00 C ATOM 792 O HIS A 380 -14.116 6.721 3.454 1.00 0.00 O ATOM 793 CB HIS A 380 -14.528 5.524 0.501 1.00 0.00 C ATOM 794 CG HIS A 380 -13.472 4.429 0.139 1.00 0.00 C ATOM 795 ND1 HIS A 380 -13.876 3.147 -0.155 1.00 0.00 N ATOM 796 CD2 HIS A 380 -12.054 4.408 -0.028 1.00 0.00 C ATOM 797 CE1 HIS A 380 -12.826 2.419 -0.473 1.00 0.00 C ATOM 798 NE2 HIS A 380 -11.708 3.115 -0.417 1.00 0.00 N ATOM 0 H HIS A 380 -13.193 7.042 -0.795 1.00 0.00 H new ATOM 0 HA HIS A 380 -14.895 7.554 1.282 1.00 0.00 H new ATOM 0 HB2 HIS A 380 -15.216 5.085 1.223 1.00 0.00 H new ATOM 0 HB3 HIS A 380 -15.103 5.731 -0.402 1.00 0.00 H new ATOM 0 HD2 HIS A 380 -11.378 5.237 0.119 1.00 0.00 H new ATOM 0 HE1 HIS A 380 -12.875 1.376 -0.747 1.00 0.00 H new ATOM 0 HE2 HIS A 380 -10.769 2.773 -0.620 1.00 0.00 H new ATOM 806 N SER A 381 -12.129 6.345 2.483 1.00 0.00 N ATOM 807 CA SER A 381 -11.443 6.012 3.742 1.00 0.00 C ATOM 808 C SER A 381 -9.971 5.749 3.476 1.00 0.00 C ATOM 809 O SER A 381 -9.101 6.198 4.211 1.00 0.00 O ATOM 810 CB SER A 381 -12.089 4.774 4.404 1.00 0.00 C ATOM 811 OG SER A 381 -11.390 4.371 5.571 1.00 0.00 O ATOM 0 H SER A 381 -11.526 6.326 1.660 1.00 0.00 H new ATOM 0 HA SER A 381 -11.539 6.858 4.423 1.00 0.00 H new ATOM 0 HB2 SER A 381 -13.124 4.999 4.661 1.00 0.00 H new ATOM 0 HB3 SER A 381 -12.109 3.950 3.691 1.00 0.00 H new ATOM 0 HG SER A 381 -11.830 3.587 5.961 1.00 0.00 H new ATOM 817 N CYS A 382 -9.706 5.006 2.412 1.00 0.00 N ATOM 818 CA CYS A 382 -8.357 4.671 1.992 1.00 0.00 C ATOM 819 C CYS A 382 -8.388 4.343 0.497 1.00 0.00 C ATOM 820 O CYS A 382 -9.082 3.430 0.143 1.00 0.00 O ATOM 821 CB CYS A 382 -7.956 3.466 2.787 1.00 0.00 C ATOM 822 SG CYS A 382 -6.480 2.639 2.251 1.00 0.00 S ATOM 0 H CYS A 382 -10.431 4.615 1.810 1.00 0.00 H new ATOM 0 HA CYS A 382 -7.652 5.486 2.154 1.00 0.00 H new ATOM 0 HB2 CYS A 382 -7.823 3.768 3.826 1.00 0.00 H new ATOM 0 HB3 CYS A 382 -8.778 2.751 2.766 1.00 0.00 H new ATOM 827 N PRO A 383 -7.545 4.997 -0.389 1.00 0.00 N ATOM 828 CA PRO A 383 -7.611 4.849 -1.899 1.00 0.00 C ATOM 829 C PRO A 383 -7.650 3.429 -2.311 1.00 0.00 C ATOM 830 O PRO A 383 -8.440 2.987 -3.134 1.00 0.00 O ATOM 831 CB PRO A 383 -6.144 5.256 -2.264 1.00 0.00 C ATOM 832 CG PRO A 383 -5.471 5.543 -0.958 1.00 0.00 C ATOM 833 CD PRO A 383 -6.510 5.951 -0.047 1.00 0.00 C ATOM 0 HA PRO A 383 -8.458 5.384 -2.328 1.00 0.00 H new ATOM 0 HB2 PRO A 383 -5.636 4.454 -2.799 1.00 0.00 H new ATOM 0 HB3 PRO A 383 -6.130 6.131 -2.913 1.00 0.00 H new ATOM 0 HG2 PRO A 383 -4.953 4.659 -0.586 1.00 0.00 H new ATOM 0 HG3 PRO A 383 -4.723 6.328 -1.071 1.00 0.00 H new ATOM 0 HD2 PRO A 383 -6.202 5.874 0.996 1.00 0.00 H new ATOM 0 HD3 PRO A 383 -6.825 6.982 -0.211 1.00 0.00 H new ATOM 841 N GLY A 384 -6.812 2.748 -1.664 1.00 0.00 N ATOM 842 CA GLY A 384 -6.604 1.390 -1.865 1.00 0.00 C ATOM 843 C GLY A 384 -7.741 0.505 -1.649 1.00 0.00 C ATOM 844 O GLY A 384 -7.791 -0.559 -2.238 1.00 0.00 O ATOM 0 H GLY A 384 -6.218 3.146 -0.937 1.00 0.00 H new ATOM 0 HA2 GLY A 384 -6.255 1.249 -2.888 1.00 0.00 H new ATOM 0 HA3 GLY A 384 -5.797 1.070 -1.206 1.00 0.00 H new ATOM 848 N CYS A 385 -8.610 0.870 -0.717 1.00 0.00 N ATOM 849 CA CYS A 385 -9.616 -0.038 -0.282 1.00 0.00 C ATOM 850 C CYS A 385 -10.539 -0.552 -1.372 1.00 0.00 C ATOM 851 O CYS A 385 -11.078 -1.637 -1.265 1.00 0.00 O ATOM 852 CB CYS A 385 -10.235 0.210 1.126 1.00 0.00 C ATOM 853 SG CYS A 385 -9.179 -0.199 2.632 1.00 0.00 S ATOM 0 H CYS A 385 -8.625 1.783 -0.262 1.00 0.00 H new ATOM 0 HA CYS A 385 -9.035 -0.930 -0.049 1.00 0.00 H new ATOM 0 HB2 CYS A 385 -10.515 1.262 1.189 1.00 0.00 H new ATOM 0 HB3 CYS A 385 -11.155 -0.370 1.194 1.00 0.00 H new ATOM 858 N ILE A 386 -10.696 0.223 -2.411 1.00 0.00 N ATOM 859 CA ILE A 386 -11.392 -0.219 -3.602 1.00 0.00 C ATOM 860 C ILE A 386 -10.680 -1.494 -4.255 1.00 0.00 C ATOM 861 O ILE A 386 -11.336 -2.420 -4.703 1.00 0.00 O ATOM 862 CB ILE A 386 -11.438 0.957 -4.627 1.00 0.00 C ATOM 863 CG1 ILE A 386 -12.158 2.167 -4.008 1.00 0.00 C ATOM 864 CG2 ILE A 386 -12.147 0.540 -5.900 1.00 0.00 C ATOM 865 CD1 ILE A 386 -12.149 3.413 -4.877 1.00 0.00 C ATOM 0 H ILE A 386 -10.347 1.180 -2.462 1.00 0.00 H new ATOM 0 HA ILE A 386 -12.405 -0.515 -3.328 1.00 0.00 H new ATOM 0 HB ILE A 386 -10.413 1.231 -4.875 1.00 0.00 H new ATOM 0 HG12 ILE A 386 -13.192 1.892 -3.799 1.00 0.00 H new ATOM 0 HG13 ILE A 386 -11.691 2.402 -3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 386 -12.165 1.378 -6.597 1.00 0.00 H new ATOM 0 HG22 ILE A 386 -11.618 -0.298 -6.353 1.00 0.00 H new ATOM 0 HG23 ILE A 386 -13.169 0.240 -5.666 1.00 0.00 H new ATOM 0 HD11 ILE A 386 -12.678 4.217 -4.365 1.00 0.00 H new ATOM 0 HD12 ILE A 386 -11.120 3.718 -5.066 1.00 0.00 H new ATOM 0 HD13 ILE A 386 -12.643 3.199 -5.825 1.00 0.00 H new TER 877 ILE A 386 HETATM 878 ZN ZN A 1 0.909 8.396 -3.858 1.00 0.00 ZN HETATM 879 ZN ZN A 2 -6.878 0.369 2.523 1.00 0.00 ZN