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 : amide:sc= -0.849 X(o=-0.85,f=-1.2) USER MOD Single : A 339 TYR OH : rot 180:sc= -0.854 USER MOD Single : A 340 ASN : amide:sc= -0.652! X(o=-0.65!,f=-0.38) USER MOD Single : A 346 TYR OH : rot 39:sc= 1.13 USER MOD Single : A 349 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 353 LYS NZ :NH3+ -171:sc= 0.0136 (180deg=0.00858) USER MOD Single : A 355 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 356 HIS :FLIP no HE2:sc= -0.0135 F(o=-1.5,f=-0.014) USER MOD Single : A 358 TYR OH : rot 30:sc= -1.22 USER MOD Single : A 364 GLN : amide:sc= -3.06! C(o=-3.1!,f=-4.1!) USER MOD Single : A 365 ASN :FLIP amide:sc= -0.961 F(o=-2.5,f=-0.96) USER MOD Single : A 376 HIS : no HE2:sc= -1.37 X(o=-1.4,f=-1.1) USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 380 HIS : no HE2:sc= -0.91 K(o=-0.91,f=-3.5!) USER MOD Single : A 381 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 328 1.864 -9.184 -1.093 1.00 0.00 N ATOM 2 CA LEU A 328 1.676 -8.329 0.112 1.00 0.00 C ATOM 3 C LEU A 328 2.589 -8.646 1.284 1.00 0.00 C ATOM 4 O LEU A 328 3.500 -9.483 1.224 1.00 0.00 O ATOM 5 CB LEU A 328 0.204 -8.283 0.592 1.00 0.00 C ATOM 6 CG LEU A 328 -0.765 -7.373 -0.177 1.00 0.00 C ATOM 7 CD1 LEU A 328 -1.117 -7.904 -1.539 1.00 0.00 C ATOM 8 CD2 LEU A 328 -2.004 -7.144 0.631 1.00 0.00 C ATOM 0 HA LEU A 328 1.969 -7.342 -0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 328 -0.192 -9.298 0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 328 0.201 -7.971 1.637 1.00 0.00 H new ATOM 0 HG LEU A 328 -0.250 -6.426 -0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 328 -1.804 -7.216 -2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 328 -0.211 -8.001 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 328 -1.591 -8.880 -1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 328 -2.685 -6.498 0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 328 -2.491 -8.099 0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 328 -1.740 -6.668 1.576 1.00 0.00 H new ATOM 20 N ASP A 329 2.391 -7.896 2.302 1.00 0.00 N ATOM 21 CA ASP A 329 3.124 -7.974 3.510 1.00 0.00 C ATOM 22 C ASP A 329 2.122 -7.567 4.540 1.00 0.00 C ATOM 23 O ASP A 329 1.081 -7.006 4.166 1.00 0.00 O ATOM 24 CB ASP A 329 4.321 -6.988 3.481 1.00 0.00 C ATOM 25 CG ASP A 329 5.302 -7.184 4.630 1.00 0.00 C ATOM 26 OD1 ASP A 329 6.189 -8.055 4.507 1.00 0.00 O ATOM 27 OD2 ASP A 329 5.230 -6.491 5.655 1.00 0.00 O ATOM 0 H ASP A 329 1.674 -7.171 2.316 1.00 0.00 H new ATOM 0 HA ASP A 329 3.551 -8.959 3.697 1.00 0.00 H new ATOM 0 HB2 ASP A 329 4.853 -7.104 2.537 1.00 0.00 H new ATOM 0 HB3 ASP A 329 3.940 -5.967 3.510 1.00 0.00 H new ATOM 32 N ALA A 330 2.346 -7.888 5.771 1.00 0.00 N ATOM 33 CA ALA A 330 1.428 -7.523 6.836 1.00 0.00 C ATOM 34 C ALA A 330 1.315 -5.994 6.941 1.00 0.00 C ATOM 35 O ALA A 330 2.202 -5.300 6.454 1.00 0.00 O ATOM 36 CB ALA A 330 1.754 -8.195 8.152 1.00 0.00 C ATOM 0 H ALA A 330 3.165 -8.410 6.082 1.00 0.00 H new ATOM 0 HA ALA A 330 0.441 -7.905 6.575 1.00 0.00 H new ATOM 0 HB1 ALA A 330 1.034 -7.883 8.908 1.00 0.00 H new ATOM 0 HB2 ALA A 330 1.706 -9.277 8.030 1.00 0.00 H new ATOM 0 HB3 ALA A 330 2.758 -7.910 8.467 1.00 0.00 H new ATOM 42 N PHE A 331 0.218 -5.477 7.563 1.00 0.00 N ATOM 43 CA PHE A 331 -0.161 -4.060 7.427 1.00 0.00 C ATOM 44 C PHE A 331 1.046 -3.276 7.973 1.00 0.00 C ATOM 45 O PHE A 331 1.468 -3.489 9.119 1.00 0.00 O ATOM 46 CB PHE A 331 -1.370 -3.796 8.351 1.00 0.00 C ATOM 47 CG PHE A 331 -2.153 -2.600 7.952 1.00 0.00 C ATOM 48 CD1 PHE A 331 -1.739 -1.290 8.157 1.00 0.00 C ATOM 49 CD2 PHE A 331 -3.287 -2.826 7.237 1.00 0.00 C ATOM 50 CE1 PHE A 331 -2.506 -0.242 7.634 1.00 0.00 C ATOM 51 CE2 PHE A 331 -4.010 -1.828 6.715 1.00 0.00 C ATOM 52 CZ PHE A 331 -3.650 -0.542 6.892 1.00 0.00 C ATOM 0 H PHE A 331 -0.407 -6.023 8.156 1.00 0.00 H new ATOM 0 HA PHE A 331 -0.414 -3.784 6.403 1.00 0.00 H new ATOM 0 HB2 PHE A 331 -2.022 -4.669 8.345 1.00 0.00 H new ATOM 0 HB3 PHE A 331 -1.017 -3.668 9.374 1.00 0.00 H new ATOM 0 HD1 PHE A 331 -0.837 -1.082 8.713 1.00 0.00 H new ATOM 0 HD2 PHE A 331 -3.615 -3.844 7.085 1.00 0.00 H new ATOM 0 HE1 PHE A 331 -2.217 0.785 7.802 1.00 0.00 H new ATOM 0 HE2 PHE A 331 -4.897 -2.057 6.142 1.00 0.00 H new ATOM 0 HZ PHE A 331 -4.243 0.252 6.463 1.00 0.00 H new ATOM 62 N GLN A 332 1.592 -2.388 7.169 1.00 0.00 N ATOM 63 CA GLN A 332 2.929 -1.955 7.470 1.00 0.00 C ATOM 64 C GLN A 332 3.180 -0.469 7.395 1.00 0.00 C ATOM 65 O GLN A 332 2.587 0.230 6.571 1.00 0.00 O ATOM 66 CB GLN A 332 3.871 -2.636 6.480 1.00 0.00 C ATOM 67 CG GLN A 332 5.330 -2.452 6.773 1.00 0.00 C ATOM 68 CD GLN A 332 5.761 -3.272 7.969 1.00 0.00 C ATOM 69 OE1 GLN A 332 5.742 -2.789 9.103 1.00 0.00 O ATOM 70 NE2 GLN A 332 6.065 -4.525 7.750 1.00 0.00 N ATOM 0 H GLN A 332 1.155 -1.973 6.346 1.00 0.00 H new ATOM 0 HA GLN A 332 3.098 -2.228 8.512 1.00 0.00 H new ATOM 0 HB2 GLN A 332 3.650 -3.703 6.464 1.00 0.00 H new ATOM 0 HB3 GLN A 332 3.664 -2.253 5.481 1.00 0.00 H new ATOM 0 HG2 GLN A 332 5.917 -2.741 5.901 1.00 0.00 H new ATOM 0 HG3 GLN A 332 5.535 -1.398 6.960 1.00 0.00 H new ATOM 0 HE21 GLN A 332 6.070 -4.890 6.797 1.00 0.00 H new ATOM 0 HE22 GLN A 332 6.297 -5.138 8.532 1.00 0.00 H new ATOM 79 N GLU A 333 3.993 0.008 8.306 1.00 0.00 N ATOM 80 CA GLU A 333 4.784 1.175 8.075 1.00 0.00 C ATOM 81 C GLU A 333 6.222 0.794 8.311 1.00 0.00 C ATOM 82 O GLU A 333 6.560 0.253 9.368 1.00 0.00 O ATOM 83 CB GLU A 333 4.393 2.375 8.922 1.00 0.00 C ATOM 84 CG GLU A 333 5.224 3.584 8.540 1.00 0.00 C ATOM 85 CD GLU A 333 4.978 4.814 9.378 1.00 0.00 C ATOM 86 OE1 GLU A 333 4.094 4.805 10.239 1.00 0.00 O ATOM 87 OE2 GLU A 333 5.679 5.823 9.185 1.00 0.00 O ATOM 0 H GLU A 333 4.119 -0.409 9.228 1.00 0.00 H new ATOM 0 HA GLU A 333 4.616 1.503 7.049 1.00 0.00 H new ATOM 0 HB2 GLU A 333 3.334 2.595 8.785 1.00 0.00 H new ATOM 0 HB3 GLU A 333 4.537 2.146 9.978 1.00 0.00 H new ATOM 0 HG2 GLU A 333 6.279 3.319 8.611 1.00 0.00 H new ATOM 0 HG3 GLU A 333 5.026 3.828 7.496 1.00 0.00 H new ATOM 94 N ILE A 334 7.049 1.086 7.359 1.00 0.00 N ATOM 95 CA ILE A 334 8.477 0.913 7.462 1.00 0.00 C ATOM 96 C ILE A 334 9.131 2.056 6.777 1.00 0.00 C ATOM 97 O ILE A 334 8.490 2.732 5.958 1.00 0.00 O ATOM 98 CB ILE A 334 9.020 -0.444 6.888 1.00 0.00 C ATOM 99 CG1 ILE A 334 8.463 -0.754 5.492 1.00 0.00 C ATOM 100 CG2 ILE A 334 8.813 -1.592 7.858 1.00 0.00 C ATOM 101 CD1 ILE A 334 8.965 -2.056 4.892 1.00 0.00 C ATOM 0 H ILE A 334 6.749 1.463 6.460 1.00 0.00 H new ATOM 0 HA ILE A 334 8.718 0.882 8.525 1.00 0.00 H new ATOM 0 HB ILE A 334 10.097 -0.324 6.767 1.00 0.00 H new ATOM 0 HG12 ILE A 334 7.375 -0.789 5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 334 8.721 0.065 4.821 1.00 0.00 H new ATOM 0 HG21 ILE A 334 9.203 -2.512 7.422 1.00 0.00 H new ATOM 0 HG22 ILE A 334 9.339 -1.381 8.789 1.00 0.00 H new ATOM 0 HG23 ILE A 334 7.749 -1.709 8.061 1.00 0.00 H new ATOM 0 HD11 ILE A 334 8.522 -2.197 3.906 1.00 0.00 H new ATOM 0 HD12 ILE A 334 10.051 -2.020 4.800 1.00 0.00 H new ATOM 0 HD13 ILE A 334 8.683 -2.887 5.538 1.00 0.00 H new ATOM 113 N PRO A 335 10.359 2.362 7.112 1.00 0.00 N ATOM 114 CA PRO A 335 11.122 3.350 6.446 1.00 0.00 C ATOM 115 C PRO A 335 11.682 2.724 5.210 1.00 0.00 C ATOM 116 O PRO A 335 11.762 1.478 5.121 1.00 0.00 O ATOM 117 CB PRO A 335 12.210 3.693 7.497 1.00 0.00 C ATOM 118 CG PRO A 335 11.681 3.044 8.716 1.00 0.00 C ATOM 119 CD PRO A 335 11.172 1.798 8.178 1.00 0.00 C ATOM 0 HA PRO A 335 10.587 4.244 6.126 1.00 0.00 H new ATOM 0 HB2 PRO A 335 13.186 3.298 7.216 1.00 0.00 H new ATOM 0 HB3 PRO A 335 12.327 4.769 7.626 1.00 0.00 H new ATOM 0 HG2 PRO A 335 12.457 2.882 9.465 1.00 0.00 H new ATOM 0 HG3 PRO A 335 10.899 3.637 9.190 1.00 0.00 H new ATOM 0 HD2 PRO A 335 11.959 1.139 7.811 1.00 0.00 H new ATOM 0 HD3 PRO A 335 10.590 1.227 8.902 1.00 0.00 H new ATOM 127 N LEU A 336 12.071 3.524 4.279 1.00 0.00 N ATOM 128 CA LEU A 336 12.641 3.045 3.043 1.00 0.00 C ATOM 129 C LEU A 336 13.866 2.189 3.320 1.00 0.00 C ATOM 130 O LEU A 336 14.190 1.261 2.564 1.00 0.00 O ATOM 131 CB LEU A 336 12.992 4.200 2.138 1.00 0.00 C ATOM 132 CG LEU A 336 11.829 5.089 1.748 1.00 0.00 C ATOM 133 CD1 LEU A 336 12.310 6.162 0.829 1.00 0.00 C ATOM 134 CD2 LEU A 336 10.770 4.279 1.041 1.00 0.00 C ATOM 0 H LEU A 336 12.007 4.540 4.343 1.00 0.00 H new ATOM 0 HA LEU A 336 11.898 2.428 2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 336 13.747 4.812 2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 336 13.447 3.804 1.230 1.00 0.00 H new ATOM 0 HG LEU A 336 11.405 5.530 2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 336 11.474 6.802 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 336 13.070 6.759 1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 336 12.738 5.710 -0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 336 9.939 4.928 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 336 11.194 3.831 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 336 10.411 3.492 1.704 1.00 0.00 H new ATOM 146 N GLU A 337 14.543 2.533 4.393 1.00 0.00 N ATOM 147 CA GLU A 337 15.753 1.881 4.797 1.00 0.00 C ATOM 148 C GLU A 337 15.562 0.364 5.047 1.00 0.00 C ATOM 149 O GLU A 337 16.364 -0.437 4.589 1.00 0.00 O ATOM 150 CB GLU A 337 16.099 2.480 6.157 1.00 0.00 C ATOM 151 CG GLU A 337 17.441 2.052 6.691 1.00 0.00 C ATOM 152 CD GLU A 337 18.576 2.571 5.856 1.00 0.00 C ATOM 153 OE1 GLU A 337 18.427 3.627 5.198 1.00 0.00 O ATOM 154 OE2 GLU A 337 19.628 1.905 5.807 1.00 0.00 O ATOM 0 H GLU A 337 14.257 3.288 5.016 1.00 0.00 H new ATOM 0 HA GLU A 337 16.503 2.014 4.017 1.00 0.00 H new ATOM 0 HB2 GLU A 337 16.080 3.567 6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 337 15.328 2.198 6.874 1.00 0.00 H new ATOM 0 HG2 GLU A 337 17.553 2.408 7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 337 17.486 0.963 6.726 1.00 0.00 H new ATOM 161 N GLU A 338 14.488 -0.013 5.749 1.00 0.00 N ATOM 162 CA GLU A 338 14.186 -1.437 6.008 1.00 0.00 C ATOM 163 C GLU A 338 13.748 -2.133 4.731 1.00 0.00 C ATOM 164 O GLU A 338 14.101 -3.269 4.424 1.00 0.00 O ATOM 165 CB GLU A 338 13.087 -1.538 7.066 1.00 0.00 C ATOM 166 CG GLU A 338 13.496 -0.980 8.425 1.00 0.00 C ATOM 167 CD GLU A 338 14.688 -1.676 9.039 1.00 0.00 C ATOM 168 OE1 GLU A 338 14.997 -2.815 8.668 1.00 0.00 O ATOM 169 OE2 GLU A 338 15.333 -1.088 9.921 1.00 0.00 O ATOM 0 H GLU A 338 13.813 0.639 6.149 1.00 0.00 H new ATOM 0 HA GLU A 338 15.088 -1.930 6.372 1.00 0.00 H new ATOM 0 HB2 GLU A 338 12.205 -1.004 6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 338 12.801 -2.583 7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 338 13.722 0.081 8.318 1.00 0.00 H new ATOM 0 HG3 GLU A 338 12.650 -1.058 9.108 1.00 0.00 H new ATOM 176 N TYR A 339 13.039 -1.352 4.007 1.00 0.00 N ATOM 177 CA TYR A 339 12.292 -1.651 2.819 1.00 0.00 C ATOM 178 C TYR A 339 12.950 -2.208 1.540 1.00 0.00 C ATOM 179 O TYR A 339 12.384 -3.142 1.010 1.00 0.00 O ATOM 180 CB TYR A 339 11.557 -0.357 2.601 1.00 0.00 C ATOM 181 CG TYR A 339 10.805 -0.100 1.370 1.00 0.00 C ATOM 182 CD1 TYR A 339 9.524 -0.547 1.109 1.00 0.00 C ATOM 183 CD2 TYR A 339 11.432 0.701 0.447 1.00 0.00 C ATOM 184 CE1 TYR A 339 8.903 -0.170 -0.074 1.00 0.00 C ATOM 185 CE2 TYR A 339 10.847 1.074 -0.680 1.00 0.00 C ATOM 186 CZ TYR A 339 9.609 0.663 -0.954 1.00 0.00 C ATOM 187 OH TYR A 339 9.079 1.076 -2.105 1.00 0.00 O ATOM 0 H TYR A 339 12.950 -0.366 4.253 1.00 0.00 H new ATOM 0 HA TYR A 339 11.708 -2.552 3.005 1.00 0.00 H new ATOM 0 HB2 TYR A 339 10.856 -0.248 3.429 1.00 0.00 H new ATOM 0 HB3 TYR A 339 12.290 0.444 2.697 1.00 0.00 H new ATOM 0 HD1 TYR A 339 9.012 -1.182 1.817 1.00 0.00 H new ATOM 0 HD2 TYR A 339 12.438 1.038 0.648 1.00 0.00 H new ATOM 0 HE1 TYR A 339 7.905 -0.508 -0.310 1.00 0.00 H new ATOM 0 HE2 TYR A 339 11.372 1.711 -1.377 1.00 0.00 H new ATOM 0 HH TYR A 339 9.722 1.646 -2.575 1.00 0.00 H new ATOM 197 N ASN A 340 14.089 -1.671 1.037 1.00 0.00 N ATOM 198 CA ASN A 340 14.776 -2.208 -0.241 1.00 0.00 C ATOM 199 C ASN A 340 13.739 -2.524 -1.363 1.00 0.00 C ATOM 200 O ASN A 340 13.836 -3.536 -2.074 1.00 0.00 O ATOM 201 CB ASN A 340 15.832 -3.376 -0.035 1.00 0.00 C ATOM 202 CG ASN A 340 15.339 -4.829 0.230 1.00 0.00 C ATOM 203 OD1 ASN A 340 16.052 -5.786 -0.090 1.00 0.00 O ATOM 204 ND2 ASN A 340 14.183 -5.029 0.778 1.00 0.00 N ATOM 0 H ASN A 340 14.571 -0.879 1.463 1.00 0.00 H new ATOM 0 HA ASN A 340 15.399 -1.378 -0.573 1.00 0.00 H new ATOM 0 HB2 ASN A 340 16.463 -3.404 -0.923 1.00 0.00 H new ATOM 0 HB3 ASN A 340 16.471 -3.092 0.801 1.00 0.00 H new ATOM 0 HD21 ASN A 340 13.857 -5.980 0.948 1.00 0.00 H new ATOM 0 HD22 ASN A 340 13.599 -4.235 1.040 1.00 0.00 H new ATOM 211 N GLY A 341 12.780 -1.640 -1.518 1.00 0.00 N ATOM 212 CA GLY A 341 11.561 -1.995 -2.208 1.00 0.00 C ATOM 213 C GLY A 341 11.370 -1.620 -3.659 1.00 0.00 C ATOM 214 O GLY A 341 11.298 -2.508 -4.514 1.00 0.00 O ATOM 0 H GLY A 341 12.819 -0.679 -1.179 1.00 0.00 H new ATOM 0 HA2 GLY A 341 11.454 -3.077 -2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 341 10.734 -1.556 -1.650 1.00 0.00 H new ATOM 218 N GLU A 342 11.204 -0.289 -3.916 1.00 0.00 N ATOM 219 CA GLU A 342 10.641 0.254 -5.204 1.00 0.00 C ATOM 220 C GLU A 342 9.235 -0.210 -5.348 1.00 0.00 C ATOM 221 O GLU A 342 8.679 -0.290 -6.420 1.00 0.00 O ATOM 222 CB GLU A 342 11.400 -0.079 -6.451 1.00 0.00 C ATOM 223 CG GLU A 342 12.805 0.559 -6.509 1.00 0.00 C ATOM 224 CD GLU A 342 13.864 -0.089 -5.665 1.00 0.00 C ATOM 225 OE1 GLU A 342 13.811 -1.286 -5.431 1.00 0.00 O ATOM 226 OE2 GLU A 342 14.740 0.635 -5.156 1.00 0.00 O ATOM 0 H GLU A 342 11.453 0.438 -3.245 1.00 0.00 H new ATOM 0 HA GLU A 342 10.719 1.337 -5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 342 11.498 -1.162 -6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 342 10.824 0.251 -7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 342 13.142 0.552 -7.546 1.00 0.00 H new ATOM 0 HG3 GLU A 342 12.719 1.603 -6.209 1.00 0.00 H new ATOM 233 N ARG A 343 8.692 -0.497 -4.233 1.00 0.00 N ATOM 234 CA ARG A 343 7.373 -0.906 -4.057 1.00 0.00 C ATOM 235 C ARG A 343 6.605 0.424 -4.233 1.00 0.00 C ATOM 236 O ARG A 343 7.116 1.492 -3.895 1.00 0.00 O ATOM 237 CB ARG A 343 7.305 -1.415 -2.632 1.00 0.00 C ATOM 238 CG ARG A 343 6.104 -2.200 -2.167 1.00 0.00 C ATOM 239 CD ARG A 343 6.096 -3.595 -2.783 1.00 0.00 C ATOM 240 NE ARG A 343 4.973 -4.418 -2.308 1.00 0.00 N ATOM 241 CZ ARG A 343 5.008 -5.758 -2.217 1.00 0.00 C ATOM 242 NH1 ARG A 343 6.045 -6.427 -2.687 1.00 0.00 N ATOM 243 NH2 ARG A 343 4.015 -6.421 -1.641 1.00 0.00 N ATOM 0 H ARG A 343 9.206 -0.445 -3.354 1.00 0.00 H new ATOM 0 HA ARG A 343 6.989 -1.681 -4.720 1.00 0.00 H new ATOM 0 HB2 ARG A 343 8.183 -2.040 -2.469 1.00 0.00 H new ATOM 0 HB3 ARG A 343 7.402 -0.551 -1.974 1.00 0.00 H new ATOM 0 HG2 ARG A 343 6.114 -2.278 -1.080 1.00 0.00 H new ATOM 0 HG3 ARG A 343 5.191 -1.672 -2.441 1.00 0.00 H new ATOM 0 HD2 ARG A 343 6.044 -3.508 -3.868 1.00 0.00 H new ATOM 0 HD3 ARG A 343 7.034 -4.097 -2.548 1.00 0.00 H new ATOM 0 HE ARG A 343 4.115 -3.942 -2.031 1.00 0.00 H new ATOM 0 HH11 ARG A 343 6.821 -5.926 -3.120 1.00 0.00 H new ATOM 0 HH12 ARG A 343 6.070 -7.444 -2.617 1.00 0.00 H new ATOM 0 HH21 ARG A 343 3.215 -5.914 -1.262 1.00 0.00 H new ATOM 0 HH22 ARG A 343 4.051 -7.438 -1.577 1.00 0.00 H new ATOM 257 N PHE A 344 5.501 0.379 -4.804 1.00 0.00 N ATOM 258 CA PHE A 344 4.779 1.634 -5.168 1.00 0.00 C ATOM 259 C PHE A 344 3.399 1.804 -4.427 1.00 0.00 C ATOM 260 O PHE A 344 2.819 0.827 -3.973 1.00 0.00 O ATOM 261 CB PHE A 344 4.409 1.502 -6.549 1.00 0.00 C ATOM 262 CG PHE A 344 5.545 1.274 -7.559 1.00 0.00 C ATOM 263 CD1 PHE A 344 6.235 2.334 -8.112 1.00 0.00 C ATOM 264 CD2 PHE A 344 5.905 -0.010 -7.943 1.00 0.00 C ATOM 265 CE1 PHE A 344 7.253 2.136 -9.017 1.00 0.00 C ATOM 266 CE2 PHE A 344 6.923 -0.219 -8.855 1.00 0.00 C ATOM 267 CZ PHE A 344 7.599 0.857 -9.393 1.00 0.00 C ATOM 0 H PHE A 344 5.019 -0.483 -5.060 1.00 0.00 H new ATOM 0 HA PHE A 344 5.436 2.467 -4.918 1.00 0.00 H new ATOM 0 HB2 PHE A 344 3.709 0.671 -6.634 1.00 0.00 H new ATOM 0 HB3 PHE A 344 3.871 2.403 -6.843 1.00 0.00 H new ATOM 0 HD1 PHE A 344 5.970 3.342 -7.828 1.00 0.00 H new ATOM 0 HD2 PHE A 344 5.383 -0.857 -7.524 1.00 0.00 H new ATOM 0 HE1 PHE A 344 7.780 2.983 -9.432 1.00 0.00 H new ATOM 0 HE2 PHE A 344 7.189 -1.224 -9.146 1.00 0.00 H new ATOM 0 HZ PHE A 344 8.395 0.697 -10.105 1.00 0.00 H new ATOM 277 N CYS A 345 2.891 3.100 -4.307 1.00 0.00 N ATOM 278 CA CYS A 345 1.584 3.370 -3.694 1.00 0.00 C ATOM 279 C CYS A 345 0.505 3.090 -4.705 1.00 0.00 C ATOM 280 O CYS A 345 0.582 3.512 -5.871 1.00 0.00 O ATOM 281 CB CYS A 345 1.368 4.843 -3.163 1.00 0.00 C ATOM 282 SG CYS A 345 0.252 5.877 -4.129 1.00 0.00 S ATOM 0 H CYS A 345 3.382 3.934 -4.630 1.00 0.00 H new ATOM 0 HA CYS A 345 1.542 2.719 -2.821 1.00 0.00 H new ATOM 0 HB2 CYS A 345 0.988 4.788 -2.143 1.00 0.00 H new ATOM 0 HB3 CYS A 345 2.339 5.337 -3.116 1.00 0.00 H new ATOM 287 N TYR A 346 -0.478 2.445 -4.227 1.00 0.00 N ATOM 288 CA TYR A 346 -1.692 2.027 -4.908 1.00 0.00 C ATOM 289 C TYR A 346 -2.442 3.210 -5.552 1.00 0.00 C ATOM 290 O TYR A 346 -2.857 3.126 -6.680 1.00 0.00 O ATOM 291 CB TYR A 346 -2.452 1.710 -3.694 1.00 0.00 C ATOM 292 CG TYR A 346 -3.781 1.156 -3.655 1.00 0.00 C ATOM 293 CD1 TYR A 346 -4.892 1.969 -3.642 1.00 0.00 C ATOM 294 CD2 TYR A 346 -3.914 -0.135 -3.341 1.00 0.00 C ATOM 295 CE1 TYR A 346 -6.096 1.483 -3.328 1.00 0.00 C ATOM 296 CE2 TYR A 346 -5.110 -0.654 -3.047 1.00 0.00 C ATOM 297 CZ TYR A 346 -6.209 0.141 -3.016 1.00 0.00 C ATOM 298 OH TYR A 346 -7.408 -0.412 -2.653 1.00 0.00 O ATOM 0 H TYR A 346 -0.481 2.152 -3.250 1.00 0.00 H new ATOM 0 HA TYR A 346 -1.542 1.281 -5.689 1.00 0.00 H new ATOM 0 HB2 TYR A 346 -1.827 1.021 -3.125 1.00 0.00 H new ATOM 0 HB3 TYR A 346 -2.502 2.638 -3.125 1.00 0.00 H new ATOM 0 HD1 TYR A 346 -4.789 3.015 -3.889 1.00 0.00 H new ATOM 0 HD2 TYR A 346 -3.041 -0.770 -3.324 1.00 0.00 H new ATOM 0 HE1 TYR A 346 -6.964 2.126 -3.318 1.00 0.00 H new ATOM 0 HE2 TYR A 346 -5.202 -1.709 -2.834 1.00 0.00 H new ATOM 0 HH TYR A 346 -8.125 -0.024 -3.196 1.00 0.00 H new ATOM 308 N GLY A 347 -2.577 4.323 -4.807 1.00 0.00 N ATOM 309 CA GLY A 347 -3.336 5.457 -5.326 1.00 0.00 C ATOM 310 C GLY A 347 -2.742 6.079 -6.590 1.00 0.00 C ATOM 311 O GLY A 347 -3.452 6.339 -7.541 1.00 0.00 O ATOM 0 H GLY A 347 -2.182 4.453 -3.876 1.00 0.00 H new ATOM 0 HA2 GLY A 347 -4.355 5.132 -5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 347 -3.400 6.222 -4.553 1.00 0.00 H new ATOM 315 N CYS A 348 -1.423 6.333 -6.590 1.00 0.00 N ATOM 316 CA CYS A 348 -0.751 6.825 -7.802 1.00 0.00 C ATOM 317 C CYS A 348 -0.692 5.732 -8.854 1.00 0.00 C ATOM 318 O CYS A 348 -0.852 5.979 -10.046 1.00 0.00 O ATOM 319 CB CYS A 348 0.738 7.258 -7.572 1.00 0.00 C ATOM 320 SG CYS A 348 1.150 8.654 -6.440 1.00 0.00 S ATOM 0 H CYS A 348 -0.812 6.209 -5.782 1.00 0.00 H new ATOM 0 HA CYS A 348 -1.341 7.688 -8.110 1.00 0.00 H new ATOM 0 HB2 CYS A 348 1.274 6.381 -7.208 1.00 0.00 H new ATOM 0 HB3 CYS A 348 1.155 7.504 -8.549 1.00 0.00 H new ATOM 325 N GLN A 349 -0.521 4.488 -8.350 1.00 0.00 N ATOM 326 CA GLN A 349 0.009 3.402 -9.158 1.00 0.00 C ATOM 327 C GLN A 349 1.375 3.855 -9.631 1.00 0.00 C ATOM 328 O GLN A 349 1.730 3.846 -10.819 1.00 0.00 O ATOM 329 CB GLN A 349 -0.932 2.842 -10.225 1.00 0.00 C ATOM 330 CG GLN A 349 -2.185 2.263 -9.591 1.00 0.00 C ATOM 331 CD GLN A 349 -3.174 1.667 -10.553 1.00 0.00 C ATOM 332 OE1 GLN A 349 -3.265 2.045 -11.724 1.00 0.00 O ATOM 333 NE2 GLN A 349 -3.936 0.728 -10.063 1.00 0.00 N ATOM 0 H GLN A 349 -0.746 4.227 -7.390 1.00 0.00 H new ATOM 0 HA GLN A 349 0.113 2.500 -8.555 1.00 0.00 H new ATOM 0 HB2 GLN A 349 -1.205 3.631 -10.925 1.00 0.00 H new ATOM 0 HB3 GLN A 349 -0.420 2.070 -10.799 1.00 0.00 H new ATOM 0 HG2 GLN A 349 -1.889 1.495 -8.877 1.00 0.00 H new ATOM 0 HG3 GLN A 349 -2.683 3.050 -9.025 1.00 0.00 H new ATOM 0 HE21 GLN A 349 -3.831 0.442 -9.089 1.00 0.00 H new ATOM 0 HE22 GLN A 349 -4.637 0.280 -10.653 1.00 0.00 H new ATOM 342 N GLY A 350 2.083 4.337 -8.621 1.00 0.00 N ATOM 343 CA GLY A 350 3.340 5.022 -8.700 1.00 0.00 C ATOM 344 C GLY A 350 4.037 4.803 -7.391 1.00 0.00 C ATOM 345 O GLY A 350 3.459 4.229 -6.542 1.00 0.00 O ATOM 0 H GLY A 350 1.759 4.247 -7.658 1.00 0.00 H new ATOM 0 HA2 GLY A 350 3.939 4.637 -9.526 1.00 0.00 H new ATOM 0 HA3 GLY A 350 3.189 6.086 -8.884 1.00 0.00 H new ATOM 349 N GLU A 351 5.092 5.459 -7.144 1.00 0.00 N ATOM 350 CA GLU A 351 6.112 5.041 -6.189 1.00 0.00 C ATOM 351 C GLU A 351 5.904 5.618 -4.799 1.00 0.00 C ATOM 352 O GLU A 351 5.596 6.767 -4.627 1.00 0.00 O ATOM 353 CB GLU A 351 7.462 5.458 -6.764 1.00 0.00 C ATOM 354 CG GLU A 351 8.668 5.004 -5.995 1.00 0.00 C ATOM 355 CD GLU A 351 9.951 5.539 -6.586 1.00 0.00 C ATOM 356 OE1 GLU A 351 9.921 6.228 -7.608 1.00 0.00 O ATOM 357 OE2 GLU A 351 11.012 5.259 -6.059 1.00 0.00 O ATOM 0 H GLU A 351 5.310 6.344 -7.603 1.00 0.00 H new ATOM 0 HA GLU A 351 6.056 3.961 -6.055 1.00 0.00 H new ATOM 0 HB2 GLU A 351 7.537 5.073 -7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 351 7.486 6.546 -6.832 1.00 0.00 H new ATOM 0 HG2 GLU A 351 8.582 5.332 -4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 351 8.701 3.915 -5.983 1.00 0.00 H new ATOM 364 N LEU A 352 6.056 4.745 -3.830 1.00 0.00 N ATOM 365 CA LEU A 352 5.868 5.003 -2.391 1.00 0.00 C ATOM 366 C LEU A 352 6.830 6.006 -1.816 1.00 0.00 C ATOM 367 O LEU A 352 6.488 6.766 -0.905 1.00 0.00 O ATOM 368 CB LEU A 352 6.171 3.817 -1.586 1.00 0.00 C ATOM 369 CG LEU A 352 5.525 2.575 -1.792 1.00 0.00 C ATOM 370 CD1 LEU A 352 6.080 1.666 -0.733 1.00 0.00 C ATOM 371 CD2 LEU A 352 4.113 2.779 -1.562 1.00 0.00 C ATOM 0 H LEU A 352 6.328 3.780 -4.017 1.00 0.00 H new ATOM 0 HA LEU A 352 4.833 5.341 -2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 352 7.240 3.634 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 352 5.995 4.092 -0.546 1.00 0.00 H new ATOM 0 HG LEU A 352 5.674 2.166 -2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 352 5.626 0.679 -0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 352 7.160 1.582 -0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 352 5.857 2.076 0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 352 3.580 1.840 -1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 352 3.957 3.125 -0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 352 3.735 3.526 -2.260 1.00 0.00 H new ATOM 383 N LYS A 353 7.998 6.010 -2.398 1.00 0.00 N ATOM 384 CA LYS A 353 9.284 6.395 -1.806 1.00 0.00 C ATOM 385 C LYS A 353 9.480 7.858 -1.435 1.00 0.00 C ATOM 386 O LYS A 353 10.618 8.307 -1.316 1.00 0.00 O ATOM 387 CB LYS A 353 10.443 5.849 -2.666 1.00 0.00 C ATOM 388 CG LYS A 353 10.490 4.308 -2.703 1.00 0.00 C ATOM 389 CD LYS A 353 11.619 3.754 -3.580 1.00 0.00 C ATOM 390 CE LYS A 353 13.005 4.099 -3.060 1.00 0.00 C ATOM 391 NZ LYS A 353 14.078 3.582 -3.949 1.00 0.00 N ATOM 0 H LYS A 353 8.101 5.725 -3.372 1.00 0.00 H new ATOM 0 HA LYS A 353 9.279 5.922 -0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 353 10.344 6.229 -3.683 1.00 0.00 H new ATOM 0 HB3 LYS A 353 11.388 6.227 -2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 353 10.611 3.931 -1.687 1.00 0.00 H new ATOM 0 HG3 LYS A 353 9.536 3.932 -3.071 1.00 0.00 H new ATOM 0 HD2 LYS A 353 11.522 2.670 -3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 353 11.510 4.145 -4.592 1.00 0.00 H new ATOM 0 HE2 LYS A 353 13.099 5.181 -2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 353 13.131 3.683 -2.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 353 15.001 3.703 -3.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 353 13.916 2.572 -4.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 353 14.069 4.108 -4.846 1.00 0.00 H new ATOM 405 N ASP A 354 8.388 8.578 -1.232 1.00 0.00 N ATOM 406 CA ASP A 354 8.413 9.992 -0.814 1.00 0.00 C ATOM 407 C ASP A 354 9.266 10.114 0.464 1.00 0.00 C ATOM 408 O ASP A 354 10.031 11.054 0.612 1.00 0.00 O ATOM 409 CB ASP A 354 7.001 10.406 -0.338 1.00 0.00 C ATOM 410 CG ASP A 354 5.891 10.419 -1.358 1.00 0.00 C ATOM 411 OD1 ASP A 354 6.160 10.462 -2.575 1.00 0.00 O ATOM 412 OD2 ASP A 354 4.698 10.378 -0.929 1.00 0.00 O ATOM 0 H ASP A 354 7.446 8.205 -1.351 1.00 0.00 H new ATOM 0 HA ASP A 354 8.781 10.590 -1.648 1.00 0.00 H new ATOM 0 HB2 ASP A 354 6.708 9.732 0.467 1.00 0.00 H new ATOM 0 HB3 ASP A 354 7.072 11.405 0.092 1.00 0.00 H new ATOM 417 N GLN A 355 9.118 9.122 1.368 1.00 0.00 N ATOM 418 CA GLN A 355 9.922 9.003 2.606 1.00 0.00 C ATOM 419 C GLN A 355 9.616 7.685 3.349 1.00 0.00 C ATOM 420 O GLN A 355 10.506 6.994 3.794 1.00 0.00 O ATOM 421 CB GLN A 355 9.860 10.254 3.525 1.00 0.00 C ATOM 422 CG GLN A 355 8.500 10.610 4.060 1.00 0.00 C ATOM 423 CD GLN A 355 8.524 11.875 4.890 1.00 0.00 C ATOM 424 OE1 GLN A 355 8.765 11.840 6.087 1.00 0.00 O ATOM 425 NE2 GLN A 355 8.260 12.990 4.274 1.00 0.00 N ATOM 0 H GLN A 355 8.432 8.375 1.259 1.00 0.00 H new ATOM 0 HA GLN A 355 10.964 8.961 2.290 1.00 0.00 H new ATOM 0 HB2 GLN A 355 10.531 10.094 4.369 1.00 0.00 H new ATOM 0 HB3 GLN A 355 10.245 11.109 2.969 1.00 0.00 H new ATOM 0 HG2 GLN A 355 7.806 10.736 3.229 1.00 0.00 H new ATOM 0 HG3 GLN A 355 8.124 9.787 4.667 1.00 0.00 H new ATOM 0 HE21 GLN A 355 8.063 12.985 3.273 1.00 0.00 H new ATOM 0 HE22 GLN A 355 8.250 13.869 4.792 1.00 0.00 H new ATOM 434 N HIS A 356 8.335 7.351 3.428 1.00 0.00 N ATOM 435 CA HIS A 356 7.821 6.133 4.093 1.00 0.00 C ATOM 436 C HIS A 356 6.986 5.244 3.253 1.00 0.00 C ATOM 437 O HIS A 356 6.467 5.630 2.211 1.00 0.00 O ATOM 438 CB HIS A 356 7.141 6.317 5.459 1.00 0.00 C ATOM 439 CG HIS A 356 8.039 6.477 6.604 1.00 0.00 C ATOM 440 ND1 HIS A 356 8.597 5.507 7.334 1.00 0.00 N flip ATOM 441 CD2 HIS A 356 8.425 7.663 7.167 1.00 0.00 C flip ATOM 442 CE1 HIS A 356 9.311 6.102 8.334 1.00 0.00 C flip ATOM 443 NE2 HIS A 356 9.193 7.409 8.206 1.00 0.00 N flip ATOM 0 H HIS A 356 7.595 7.926 3.025 1.00 0.00 H new ATOM 0 HA HIS A 356 8.774 5.638 4.278 1.00 0.00 H new ATOM 0 HB2 HIS A 356 6.493 7.192 5.405 1.00 0.00 H new ATOM 0 HB3 HIS A 356 6.499 5.455 5.643 1.00 0.00 H new ATOM 0 HD1 HIS A 356 8.506 4.504 7.173 1.00 0.00 H new ATOM 0 HD2 HIS A 356 8.146 8.646 6.817 1.00 0.00 H new ATOM 0 HE1 HIS A 356 9.876 5.590 9.099 1.00 0.00 H new ATOM 452 N VAL A 357 6.886 4.037 3.758 1.00 0.00 N ATOM 453 CA VAL A 357 6.255 2.909 3.145 1.00 0.00 C ATOM 454 C VAL A 357 5.028 2.494 3.945 1.00 0.00 C ATOM 455 O VAL A 357 5.103 2.342 5.168 1.00 0.00 O ATOM 456 CB VAL A 357 7.260 1.789 3.290 1.00 0.00 C ATOM 457 CG1 VAL A 357 6.790 0.552 2.670 1.00 0.00 C ATOM 458 CG2 VAL A 357 8.603 2.194 2.741 1.00 0.00 C ATOM 0 H VAL A 357 7.274 3.809 4.674 1.00 0.00 H new ATOM 0 HA VAL A 357 5.962 3.129 2.118 1.00 0.00 H new ATOM 0 HB VAL A 357 7.374 1.592 4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 357 7.542 -0.227 2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 357 5.859 0.239 3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 357 6.618 0.720 1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 357 9.307 1.370 2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 357 8.505 2.440 1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 357 8.970 3.065 3.284 1.00 0.00 H new ATOM 468 N TYR A 358 3.927 2.306 3.250 1.00 0.00 N ATOM 469 CA TYR A 358 2.649 1.923 3.845 1.00 0.00 C ATOM 470 C TYR A 358 2.091 0.663 3.217 1.00 0.00 C ATOM 471 O TYR A 358 2.281 0.449 2.061 1.00 0.00 O ATOM 472 CB TYR A 358 1.702 3.105 3.678 1.00 0.00 C ATOM 473 CG TYR A 358 2.229 4.300 4.377 1.00 0.00 C ATOM 474 CD1 TYR A 358 2.141 4.420 5.753 1.00 0.00 C ATOM 475 CD2 TYR A 358 2.888 5.264 3.672 1.00 0.00 C ATOM 476 CE1 TYR A 358 2.685 5.501 6.392 1.00 0.00 C ATOM 477 CE2 TYR A 358 3.439 6.325 4.271 1.00 0.00 C ATOM 478 CZ TYR A 358 3.336 6.458 5.651 1.00 0.00 C ATOM 479 OH TYR A 358 3.889 7.534 6.283 1.00 0.00 O ATOM 0 H TYR A 358 3.886 2.415 2.237 1.00 0.00 H new ATOM 0 HA TYR A 358 2.780 1.689 4.902 1.00 0.00 H new ATOM 0 HB2 TYR A 358 1.571 3.325 2.619 1.00 0.00 H new ATOM 0 HB3 TYR A 358 0.719 2.849 4.075 1.00 0.00 H new ATOM 0 HD1 TYR A 358 1.639 3.655 6.327 1.00 0.00 H new ATOM 0 HD2 TYR A 358 2.967 5.168 2.599 1.00 0.00 H new ATOM 0 HE1 TYR A 358 2.604 5.601 7.464 1.00 0.00 H new ATOM 0 HE2 TYR A 358 3.959 7.071 3.688 1.00 0.00 H new ATOM 0 HH TYR A 358 4.165 7.276 7.187 1.00 0.00 H new ATOM 489 N VAL A 359 1.498 -0.185 3.993 1.00 0.00 N ATOM 490 CA VAL A 359 0.723 -1.337 3.494 1.00 0.00 C ATOM 491 C VAL A 359 -0.636 -1.377 4.037 1.00 0.00 C ATOM 492 O VAL A 359 -0.805 -1.212 5.230 1.00 0.00 O ATOM 493 CB VAL A 359 1.425 -2.725 3.752 1.00 0.00 C ATOM 494 CG1 VAL A 359 0.531 -3.906 3.383 1.00 0.00 C ATOM 495 CG2 VAL A 359 2.529 -2.828 2.818 1.00 0.00 C ATOM 0 H VAL A 359 1.523 -0.120 5.011 1.00 0.00 H new ATOM 0 HA VAL A 359 0.671 -1.180 2.417 1.00 0.00 H new ATOM 0 HB VAL A 359 1.696 -2.761 4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 359 1.060 -4.838 3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 359 -0.380 -3.873 3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 359 0.273 -3.851 2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 359 3.042 -3.778 2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 359 2.149 -2.775 1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 359 3.227 -2.008 2.988 1.00 0.00 H new ATOM 505 N CYS A 360 -1.625 -1.592 3.197 1.00 0.00 N ATOM 506 CA CYS A 360 -2.853 -2.000 3.748 1.00 0.00 C ATOM 507 C CYS A 360 -2.871 -3.492 3.435 1.00 0.00 C ATOM 508 O CYS A 360 -2.700 -3.870 2.290 1.00 0.00 O ATOM 509 CB CYS A 360 -4.103 -1.319 3.143 1.00 0.00 C ATOM 510 SG CYS A 360 -5.576 -1.618 4.071 1.00 0.00 S ATOM 0 H CYS A 360 -1.590 -1.492 2.183 1.00 0.00 H new ATOM 0 HA CYS A 360 -2.910 -1.735 4.804 1.00 0.00 H new ATOM 0 HB2 CYS A 360 -3.930 -0.244 3.084 1.00 0.00 H new ATOM 0 HB3 CYS A 360 -4.245 -1.676 2.123 1.00 0.00 H new ATOM 515 N ALA A 361 -2.926 -4.344 4.415 1.00 0.00 N ATOM 516 CA ALA A 361 -2.922 -5.764 4.101 1.00 0.00 C ATOM 517 C ALA A 361 -4.221 -6.230 3.417 1.00 0.00 C ATOM 518 O ALA A 361 -4.247 -7.248 2.767 1.00 0.00 O ATOM 519 CB ALA A 361 -2.665 -6.573 5.364 1.00 0.00 C ATOM 0 H ALA A 361 -2.973 -4.107 5.406 1.00 0.00 H new ATOM 0 HA ALA A 361 -2.117 -5.933 3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 361 -2.663 -7.636 5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 361 -1.698 -6.295 5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 361 -3.449 -6.368 6.093 1.00 0.00 H new ATOM 525 N VAL A 362 -5.303 -5.489 3.589 1.00 0.00 N ATOM 526 CA VAL A 362 -6.587 -5.944 3.016 1.00 0.00 C ATOM 527 C VAL A 362 -6.755 -5.443 1.653 1.00 0.00 C ATOM 528 O VAL A 362 -7.129 -6.108 0.703 1.00 0.00 O ATOM 529 CB VAL A 362 -7.812 -5.593 3.904 1.00 0.00 C ATOM 530 CG1 VAL A 362 -9.131 -6.020 3.250 1.00 0.00 C ATOM 531 CG2 VAL A 362 -7.670 -6.216 5.277 1.00 0.00 C ATOM 0 H VAL A 362 -5.336 -4.605 4.096 1.00 0.00 H new ATOM 0 HA VAL A 362 -6.544 -7.033 2.982 1.00 0.00 H new ATOM 0 HB VAL A 362 -7.838 -4.509 4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 362 -9.963 -5.757 3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 362 -9.245 -5.510 2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 362 -9.124 -7.098 3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 362 -8.538 -5.959 5.885 1.00 0.00 H new ATOM 0 HG22 VAL A 362 -7.603 -7.300 5.180 1.00 0.00 H new ATOM 0 HG23 VAL A 362 -6.767 -5.838 5.756 1.00 0.00 H new ATOM 541 N CYS A 363 -6.386 -4.265 1.600 1.00 0.00 N ATOM 542 CA CYS A 363 -6.717 -3.389 0.615 1.00 0.00 C ATOM 543 C CYS A 363 -5.537 -2.481 0.553 1.00 0.00 C ATOM 544 O CYS A 363 -4.658 -2.877 1.090 1.00 0.00 O ATOM 545 CB CYS A 363 -8.230 -2.877 0.796 1.00 0.00 C ATOM 546 SG CYS A 363 -8.910 -2.355 2.484 1.00 0.00 S ATOM 0 H CYS A 363 -5.787 -3.850 2.314 1.00 0.00 H new ATOM 0 HA CYS A 363 -6.838 -3.752 -0.406 1.00 0.00 H new ATOM 0 HB2 CYS A 363 -8.357 -2.025 0.128 1.00 0.00 H new ATOM 0 HB3 CYS A 363 -8.878 -3.672 0.427 1.00 0.00 H new ATOM 551 N GLN A 364 -5.428 -1.473 -0.252 1.00 0.00 N ATOM 552 CA GLN A 364 -4.192 -0.451 -0.224 1.00 0.00 C ATOM 553 C GLN A 364 -2.939 -1.116 -0.183 1.00 0.00 C ATOM 554 O GLN A 364 -2.179 -0.802 0.728 1.00 0.00 O ATOM 555 CB GLN A 364 -4.026 0.646 0.806 1.00 0.00 C ATOM 556 CG GLN A 364 -4.940 1.623 0.924 1.00 0.00 C ATOM 557 CD GLN A 364 -4.486 2.519 2.068 1.00 0.00 C ATOM 558 OE1 GLN A 364 -4.871 2.289 3.191 1.00 0.00 O ATOM 559 NE2 GLN A 364 -3.522 3.365 1.846 1.00 0.00 N ATOM 0 H GLN A 364 -6.123 -1.254 -0.966 1.00 0.00 H new ATOM 0 HA GLN A 364 -4.487 0.055 -1.143 1.00 0.00 H new ATOM 0 HB2 GLN A 364 -3.947 0.162 1.779 1.00 0.00 H new ATOM 0 HB3 GLN A 364 -3.067 1.126 0.610 1.00 0.00 H new ATOM 0 HG2 GLN A 364 -5.020 2.191 -0.003 1.00 0.00 H new ATOM 0 HG3 GLN A 364 -5.926 1.206 1.128 1.00 0.00 H new ATOM 0 HE21 GLN A 364 -3.212 3.545 0.891 1.00 0.00 H new ATOM 0 HE22 GLN A 364 -3.077 3.848 2.627 1.00 0.00 H new ATOM 568 N ASN A 365 -2.696 -2.033 -1.029 1.00 0.00 N ATOM 569 CA ASN A 365 -1.700 -2.952 -0.657 1.00 0.00 C ATOM 570 C ASN A 365 -0.354 -2.289 -0.366 1.00 0.00 C ATOM 571 O ASN A 365 0.229 -2.639 0.627 1.00 0.00 O ATOM 572 CB ASN A 365 -1.608 -4.018 -1.730 1.00 0.00 C ATOM 573 CG ASN A 365 -2.955 -4.740 -1.952 1.00 0.00 C ATOM 574 OD1 ASN A 365 -3.821 -4.751 -0.943 1.00 0.00 O flip ATOM 575 ND2 ASN A 365 -3.248 -5.196 -3.055 1.00 0.00 N flip ATOM 0 H ASN A 365 -3.143 -2.168 -1.936 1.00 0.00 H new ATOM 0 HA ASN A 365 -1.981 -3.416 0.288 1.00 0.00 H new ATOM 0 HB2 ASN A 365 -1.283 -3.562 -2.666 1.00 0.00 H new ATOM 0 HB3 ASN A 365 -0.848 -4.748 -1.450 1.00 0.00 H new ATOM 0 HD21 ASN A 365 -2.566 -5.176 -3.813 1.00 0.00 H new ATOM 0 HD22 ASN A 365 -4.174 -5.595 -3.213 1.00 0.00 H new ATOM 582 N VAL A 366 -0.003 -1.127 -1.037 1.00 0.00 N ATOM 583 CA VAL A 366 1.181 -0.370 -0.601 1.00 0.00 C ATOM 584 C VAL A 366 0.926 1.225 -0.744 1.00 0.00 C ATOM 585 O VAL A 366 0.326 1.645 -1.730 1.00 0.00 O ATOM 586 CB VAL A 366 2.466 -0.828 -1.333 1.00 0.00 C ATOM 587 CG1 VAL A 366 3.628 -0.379 -0.557 1.00 0.00 C ATOM 588 CG2 VAL A 366 2.495 -2.308 -1.548 1.00 0.00 C ATOM 0 H VAL A 366 -0.506 -0.734 -1.832 1.00 0.00 H new ATOM 0 HA VAL A 366 1.344 -0.584 0.455 1.00 0.00 H new ATOM 0 HB VAL A 366 2.488 -0.379 -2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 366 4.544 -0.693 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 366 3.613 0.708 -0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 366 3.591 -0.818 0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 366 3.415 -2.583 -2.065 1.00 0.00 H new ATOM 0 HG22 VAL A 366 2.454 -2.816 -0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 366 1.637 -2.605 -2.151 1.00 0.00 H new ATOM 598 N PHE A 367 1.343 2.073 0.239 1.00 0.00 N ATOM 599 CA PHE A 367 1.227 3.609 0.235 1.00 0.00 C ATOM 600 C PHE A 367 2.449 4.555 0.355 1.00 0.00 C ATOM 601 O PHE A 367 3.480 4.215 0.900 1.00 0.00 O ATOM 602 CB PHE A 367 -0.024 4.241 0.820 1.00 0.00 C ATOM 603 CG PHE A 367 -1.222 4.254 -0.045 1.00 0.00 C ATOM 604 CD1 PHE A 367 -1.856 3.146 -0.447 1.00 0.00 C ATOM 605 CD2 PHE A 367 -1.758 5.470 -0.385 1.00 0.00 C ATOM 606 CE1 PHE A 367 -3.008 3.249 -1.183 1.00 0.00 C ATOM 607 CE2 PHE A 367 -2.899 5.576 -1.129 1.00 0.00 C ATOM 608 CZ PHE A 367 -3.525 4.461 -1.527 1.00 0.00 C ATOM 0 H PHE A 367 1.784 1.724 1.090 1.00 0.00 H new ATOM 0 HA PHE A 367 1.134 3.541 -0.849 1.00 0.00 H new ATOM 0 HB2 PHE A 367 -0.274 3.714 1.741 1.00 0.00 H new ATOM 0 HB3 PHE A 367 0.210 5.270 1.095 1.00 0.00 H new ATOM 0 HD1 PHE A 367 -1.461 2.174 -0.192 1.00 0.00 H new ATOM 0 HD2 PHE A 367 -1.263 6.371 -0.054 1.00 0.00 H new ATOM 0 HE1 PHE A 367 -3.517 2.349 -1.497 1.00 0.00 H new ATOM 0 HE2 PHE A 367 -3.291 6.547 -1.393 1.00 0.00 H new ATOM 0 HZ PHE A 367 -4.429 4.522 -2.114 1.00 0.00 H new ATOM 618 N CYS A 368 2.222 5.818 -0.140 1.00 0.00 N ATOM 619 CA CYS A 368 3.223 6.930 -0.141 1.00 0.00 C ATOM 620 C CYS A 368 2.828 7.779 0.980 1.00 0.00 C ATOM 621 O CYS A 368 1.657 7.711 1.380 1.00 0.00 O ATOM 622 CB CYS A 368 3.078 7.944 -1.288 1.00 0.00 C ATOM 623 SG CYS A 368 3.222 7.500 -2.962 1.00 0.00 S ATOM 0 H CYS A 368 1.329 6.089 -0.552 1.00 0.00 H new ATOM 0 HA CYS A 368 4.205 6.457 -0.162 1.00 0.00 H new ATOM 0 HB2 CYS A 368 2.097 8.405 -1.173 1.00 0.00 H new ATOM 0 HB3 CYS A 368 3.819 8.723 -1.109 1.00 0.00 H new ATOM 628 N VAL A 369 3.711 8.623 1.468 1.00 0.00 N ATOM 629 CA VAL A 369 3.291 9.451 2.548 1.00 0.00 C ATOM 630 C VAL A 369 2.295 10.501 2.084 1.00 0.00 C ATOM 631 O VAL A 369 1.334 10.793 2.804 1.00 0.00 O ATOM 632 CB VAL A 369 4.423 10.112 3.371 1.00 0.00 C ATOM 633 CG1 VAL A 369 5.383 9.093 3.883 1.00 0.00 C ATOM 634 CG2 VAL A 369 5.148 11.205 2.598 1.00 0.00 C ATOM 0 H VAL A 369 4.672 8.744 1.148 1.00 0.00 H new ATOM 0 HA VAL A 369 2.811 8.756 3.237 1.00 0.00 H new ATOM 0 HB VAL A 369 3.946 10.594 4.225 1.00 0.00 H new ATOM 0 HG11 VAL A 369 6.167 9.587 4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 369 4.856 8.386 4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 369 5.830 8.560 3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 369 5.931 11.634 3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 369 5.593 10.780 1.698 1.00 0.00 H new ATOM 0 HG23 VAL A 369 4.439 11.984 2.319 1.00 0.00 H new ATOM 644 N ASP A 370 2.500 11.046 0.864 1.00 0.00 N ATOM 645 CA ASP A 370 1.524 11.974 0.296 1.00 0.00 C ATOM 646 C ASP A 370 0.205 11.287 0.164 1.00 0.00 C ATOM 647 O ASP A 370 -0.839 11.815 0.471 1.00 0.00 O ATOM 648 CB ASP A 370 1.993 12.427 -1.092 1.00 0.00 C ATOM 649 CG ASP A 370 1.092 13.466 -1.733 1.00 0.00 C ATOM 650 OD1 ASP A 370 1.220 14.663 -1.417 1.00 0.00 O ATOM 651 OD2 ASP A 370 0.242 13.102 -2.576 1.00 0.00 O ATOM 0 H ASP A 370 3.312 10.860 0.275 1.00 0.00 H new ATOM 0 HA ASP A 370 1.426 12.840 0.951 1.00 0.00 H new ATOM 0 HB2 ASP A 370 3.001 12.834 -1.010 1.00 0.00 H new ATOM 0 HB3 ASP A 370 2.053 11.558 -1.747 1.00 0.00 H new ATOM 656 N CYS A 371 0.286 10.069 -0.277 1.00 0.00 N ATOM 657 CA CYS A 371 -0.862 9.251 -0.419 1.00 0.00 C ATOM 658 C CYS A 371 -1.574 8.742 0.848 1.00 0.00 C ATOM 659 O CYS A 371 -2.678 8.305 0.764 1.00 0.00 O ATOM 660 CB CYS A 371 -0.656 8.280 -1.475 1.00 0.00 C ATOM 661 SG CYS A 371 -0.302 9.150 -2.967 1.00 0.00 S ATOM 0 H CYS A 371 1.160 9.619 -0.548 1.00 0.00 H new ATOM 0 HA CYS A 371 -1.652 9.933 -0.732 1.00 0.00 H new ATOM 0 HB2 CYS A 371 0.167 7.612 -1.221 1.00 0.00 H new ATOM 0 HB3 CYS A 371 -1.544 7.660 -1.599 1.00 0.00 H new ATOM 666 N ASP A 372 -0.911 8.702 1.978 1.00 0.00 N ATOM 667 CA ASP A 372 -1.582 8.344 3.265 1.00 0.00 C ATOM 668 C ASP A 372 -2.723 9.339 3.541 1.00 0.00 C ATOM 669 O ASP A 372 -3.804 9.007 4.022 1.00 0.00 O ATOM 670 CB ASP A 372 -0.569 8.271 4.402 1.00 0.00 C ATOM 671 CG ASP A 372 -1.152 7.766 5.706 1.00 0.00 C ATOM 672 OD1 ASP A 372 -1.246 6.535 5.894 1.00 0.00 O ATOM 673 OD2 ASP A 372 -1.499 8.593 6.578 1.00 0.00 O ATOM 0 H ASP A 372 0.085 8.906 2.063 1.00 0.00 H new ATOM 0 HA ASP A 372 -2.023 7.350 3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 372 0.252 7.618 4.104 1.00 0.00 H new ATOM 0 HB3 ASP A 372 -0.145 9.262 4.563 1.00 0.00 H new ATOM 678 N VAL A 373 -2.432 10.541 3.134 1.00 0.00 N ATOM 679 CA VAL A 373 -3.275 11.732 3.126 1.00 0.00 C ATOM 680 C VAL A 373 -4.486 11.588 2.222 1.00 0.00 C ATOM 681 O VAL A 373 -5.464 12.362 2.340 1.00 0.00 O ATOM 682 CB VAL A 373 -2.429 12.981 2.796 1.00 0.00 C ATOM 683 CG1 VAL A 373 -3.247 14.225 2.587 1.00 0.00 C ATOM 684 CG2 VAL A 373 -1.580 13.208 3.951 1.00 0.00 C ATOM 0 H VAL A 373 -1.506 10.746 2.758 1.00 0.00 H new ATOM 0 HA VAL A 373 -3.684 11.860 4.128 1.00 0.00 H new ATOM 0 HB VAL A 373 -1.889 12.794 1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 373 -2.586 15.061 2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 373 -3.937 14.072 1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 373 -3.812 14.445 3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 373 -0.955 14.083 3.776 1.00 0.00 H new ATOM 0 HG22 VAL A 373 -2.200 13.375 4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 373 -0.946 12.336 4.114 1.00 0.00 H new ATOM 694 N PHE A 374 -4.394 10.624 1.280 1.00 0.00 N ATOM 695 CA PHE A 374 -5.364 10.422 0.187 1.00 0.00 C ATOM 696 C PHE A 374 -6.685 10.358 0.945 1.00 0.00 C ATOM 697 O PHE A 374 -7.594 11.032 0.598 1.00 0.00 O ATOM 698 CB PHE A 374 -5.142 9.036 -0.498 1.00 0.00 C ATOM 699 CG PHE A 374 -5.738 8.778 -1.888 1.00 0.00 C ATOM 700 CD1 PHE A 374 -6.986 8.297 -2.070 1.00 0.00 C ATOM 701 CD2 PHE A 374 -4.949 8.982 -3.026 1.00 0.00 C ATOM 702 CE1 PHE A 374 -7.482 8.026 -3.341 1.00 0.00 C ATOM 703 CE2 PHE A 374 -5.431 8.721 -4.290 1.00 0.00 C ATOM 704 CZ PHE A 374 -6.701 8.245 -4.447 1.00 0.00 C ATOM 0 H PHE A 374 -3.627 9.952 1.260 1.00 0.00 H new ATOM 0 HA PHE A 374 -5.299 11.188 -0.586 1.00 0.00 H new ATOM 0 HB2 PHE A 374 -4.066 8.875 -0.568 1.00 0.00 H new ATOM 0 HB3 PHE A 374 -5.536 8.273 0.173 1.00 0.00 H new ATOM 0 HD1 PHE A 374 -7.614 8.119 -1.209 1.00 0.00 H new ATOM 0 HD2 PHE A 374 -3.941 9.352 -2.911 1.00 0.00 H new ATOM 0 HE1 PHE A 374 -8.485 7.642 -3.457 1.00 0.00 H new ATOM 0 HE2 PHE A 374 -4.806 8.892 -5.154 1.00 0.00 H new ATOM 0 HZ PHE A 374 -7.088 8.042 -5.435 1.00 0.00 H new ATOM 714 N VAL A 375 -6.698 9.681 2.108 1.00 0.00 N ATOM 715 CA VAL A 375 -7.878 9.729 2.925 1.00 0.00 C ATOM 716 C VAL A 375 -7.729 10.665 4.081 1.00 0.00 C ATOM 717 O VAL A 375 -6.792 10.593 4.864 1.00 0.00 O ATOM 718 CB VAL A 375 -8.305 8.376 3.511 1.00 0.00 C ATOM 719 CG1 VAL A 375 -8.792 7.502 2.448 1.00 0.00 C ATOM 720 CG2 VAL A 375 -7.171 7.698 4.286 1.00 0.00 C ATOM 0 H VAL A 375 -5.928 9.121 2.474 1.00 0.00 H new ATOM 0 HA VAL A 375 -8.643 10.072 2.228 1.00 0.00 H new ATOM 0 HB VAL A 375 -9.110 8.564 4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 375 -9.093 6.544 2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 375 -9.648 7.966 1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 375 -7.999 7.342 1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 375 -7.520 6.744 4.682 1.00 0.00 H new ATOM 0 HG22 VAL A 375 -6.326 7.527 3.619 1.00 0.00 H new ATOM 0 HG23 VAL A 375 -6.858 8.340 5.110 1.00 0.00 H new ATOM 730 N HIS A 376 -8.718 11.476 4.159 1.00 0.00 N ATOM 731 CA HIS A 376 -9.058 12.416 5.171 1.00 0.00 C ATOM 732 C HIS A 376 -10.439 12.884 4.798 1.00 0.00 C ATOM 733 O HIS A 376 -11.278 12.045 4.467 1.00 0.00 O ATOM 734 CB HIS A 376 -8.063 13.605 5.437 1.00 0.00 C ATOM 735 CG HIS A 376 -6.733 13.228 6.027 1.00 0.00 C ATOM 736 ND1 HIS A 376 -6.579 12.721 7.308 1.00 0.00 N ATOM 737 CD2 HIS A 376 -5.491 13.278 5.501 1.00 0.00 C ATOM 738 CE1 HIS A 376 -5.287 12.486 7.512 1.00 0.00 C ATOM 739 NE2 HIS A 376 -4.574 12.808 6.446 1.00 0.00 N ATOM 0 H HIS A 376 -9.407 11.501 3.408 1.00 0.00 H new ATOM 0 HA HIS A 376 -9.002 11.919 6.139 1.00 0.00 H new ATOM 0 HB2 HIS A 376 -7.887 14.124 4.495 1.00 0.00 H new ATOM 0 HB3 HIS A 376 -8.547 14.316 6.106 1.00 0.00 H new ATOM 0 HD1 HIS A 376 -7.329 12.556 7.979 1.00 0.00 H new ATOM 0 HD2 HIS A 376 -5.245 13.626 4.509 1.00 0.00 H new ATOM 0 HE1 HIS A 376 -4.875 12.086 8.426 1.00 0.00 H new ATOM 747 N ASP A 377 -10.681 14.173 4.770 1.00 0.00 N ATOM 748 CA ASP A 377 -12.009 14.680 4.448 1.00 0.00 C ATOM 749 C ASP A 377 -12.578 14.238 3.079 1.00 0.00 C ATOM 750 O ASP A 377 -13.772 13.930 2.994 1.00 0.00 O ATOM 751 CB ASP A 377 -12.031 16.203 4.547 1.00 0.00 C ATOM 752 CG ASP A 377 -13.402 16.787 4.303 1.00 0.00 C ATOM 753 OD1 ASP A 377 -14.228 16.835 5.241 1.00 0.00 O ATOM 754 OD2 ASP A 377 -13.683 17.200 3.158 1.00 0.00 O ATOM 0 H ASP A 377 -9.985 14.893 4.964 1.00 0.00 H new ATOM 0 HA ASP A 377 -12.665 14.228 5.192 1.00 0.00 H new ATOM 0 HB2 ASP A 377 -11.684 16.503 5.536 1.00 0.00 H new ATOM 0 HB3 ASP A 377 -11.330 16.619 3.824 1.00 0.00 H new ATOM 759 N SER A 378 -11.759 14.193 2.021 1.00 0.00 N ATOM 760 CA SER A 378 -12.275 13.839 0.698 1.00 0.00 C ATOM 761 C SER A 378 -12.846 12.403 0.610 1.00 0.00 C ATOM 762 O SER A 378 -13.874 12.142 -0.023 1.00 0.00 O ATOM 763 CB SER A 378 -11.198 14.089 -0.343 1.00 0.00 C ATOM 764 OG SER A 378 -10.752 15.435 -0.253 1.00 0.00 O ATOM 0 H SER A 378 -10.759 14.393 2.054 1.00 0.00 H new ATOM 0 HA SER A 378 -13.131 14.483 0.498 1.00 0.00 H new ATOM 0 HB2 SER A 378 -10.362 13.407 -0.187 1.00 0.00 H new ATOM 0 HB3 SER A 378 -11.589 13.891 -1.341 1.00 0.00 H new ATOM 0 HG SER A 378 -10.056 15.595 -0.924 1.00 0.00 H new ATOM 770 N LEU A 379 -12.187 11.526 1.294 1.00 0.00 N ATOM 771 CA LEU A 379 -12.402 10.093 1.241 1.00 0.00 C ATOM 772 C LEU A 379 -13.038 9.411 2.395 1.00 0.00 C ATOM 773 O LEU A 379 -13.151 9.939 3.499 1.00 0.00 O ATOM 774 CB LEU A 379 -11.225 9.269 0.821 1.00 0.00 C ATOM 775 CG LEU A 379 -10.724 9.330 -0.588 1.00 0.00 C ATOM 776 CD1 LEU A 379 -9.954 10.602 -0.878 1.00 0.00 C ATOM 777 CD2 LEU A 379 -9.903 8.086 -0.830 1.00 0.00 C ATOM 0 H LEU A 379 -11.444 11.789 1.941 1.00 0.00 H new ATOM 0 HA LEU A 379 -13.151 10.125 0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 379 -10.393 9.540 1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 379 -11.468 8.228 1.032 1.00 0.00 H new ATOM 0 HG LEU A 379 -11.566 9.359 -1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 379 -9.614 10.593 -1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 379 -10.601 11.464 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 379 -9.092 10.665 -0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 379 -9.520 8.096 -1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 379 -9.068 8.059 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 379 -10.527 7.204 -0.685 1.00 0.00 H new ATOM 789 N HIS A 380 -13.535 8.236 2.050 1.00 0.00 N ATOM 790 CA HIS A 380 -13.849 7.159 2.987 1.00 0.00 C ATOM 791 C HIS A 380 -12.589 6.834 3.852 1.00 0.00 C ATOM 792 O HIS A 380 -11.532 7.369 3.613 1.00 0.00 O ATOM 793 CB HIS A 380 -14.301 5.889 2.198 1.00 0.00 C ATOM 794 CG HIS A 380 -13.470 5.549 0.948 1.00 0.00 C ATOM 795 ND1 HIS A 380 -13.924 5.759 -0.338 1.00 0.00 N ATOM 796 CD2 HIS A 380 -12.216 5.033 0.802 1.00 0.00 C ATOM 797 CE1 HIS A 380 -12.977 5.378 -1.195 1.00 0.00 C ATOM 798 NE2 HIS A 380 -11.916 4.929 -0.561 1.00 0.00 N ATOM 0 H HIS A 380 -13.739 7.993 1.081 1.00 0.00 H new ATOM 0 HA HIS A 380 -14.660 7.474 3.644 1.00 0.00 H new ATOM 0 HB2 HIS A 380 -14.273 5.035 2.874 1.00 0.00 H new ATOM 0 HB3 HIS A 380 -15.340 6.022 1.896 1.00 0.00 H new ATOM 0 HD1 HIS A 380 -14.835 6.143 -0.591 1.00 0.00 H new ATOM 0 HD2 HIS A 380 -11.558 4.749 1.610 1.00 0.00 H new ATOM 0 HE1 HIS A 380 -13.069 5.431 -2.270 1.00 0.00 H new ATOM 806 N SER A 381 -12.713 5.953 4.817 1.00 0.00 N ATOM 807 CA SER A 381 -11.631 5.698 5.778 1.00 0.00 C ATOM 808 C SER A 381 -10.268 5.245 5.152 1.00 0.00 C ATOM 809 O SER A 381 -9.215 5.594 5.688 1.00 0.00 O ATOM 810 CB SER A 381 -12.094 4.717 6.876 1.00 0.00 C ATOM 811 OG SER A 381 -11.120 4.573 7.920 1.00 0.00 O ATOM 0 H SER A 381 -13.551 5.392 4.969 1.00 0.00 H new ATOM 0 HA SER A 381 -11.416 6.670 6.221 1.00 0.00 H new ATOM 0 HB2 SER A 381 -13.033 5.069 7.303 1.00 0.00 H new ATOM 0 HB3 SER A 381 -12.293 3.743 6.430 1.00 0.00 H new ATOM 0 HG SER A 381 -11.454 3.945 8.594 1.00 0.00 H new ATOM 817 N CYS A 382 -10.265 4.484 4.067 1.00 0.00 N ATOM 818 CA CYS A 382 -9.019 3.987 3.520 1.00 0.00 C ATOM 819 C CYS A 382 -8.991 4.082 2.006 1.00 0.00 C ATOM 820 O CYS A 382 -9.843 3.496 1.339 1.00 0.00 O ATOM 821 CB CYS A 382 -8.885 2.581 3.957 1.00 0.00 C ATOM 822 SG CYS A 382 -7.673 1.723 3.044 1.00 0.00 S ATOM 0 H CYS A 382 -11.102 4.202 3.556 1.00 0.00 H new ATOM 0 HA CYS A 382 -8.186 4.592 3.880 1.00 0.00 H new ATOM 0 HB2 CYS A 382 -8.627 2.554 5.016 1.00 0.00 H new ATOM 0 HB3 CYS A 382 -9.845 2.075 3.849 1.00 0.00 H new ATOM 827 N PRO A 383 -7.918 4.710 1.440 1.00 0.00 N ATOM 828 CA PRO A 383 -7.879 5.093 0.035 1.00 0.00 C ATOM 829 C PRO A 383 -8.044 3.978 -0.868 1.00 0.00 C ATOM 830 O PRO A 383 -7.259 3.014 -0.856 1.00 0.00 O ATOM 831 CB PRO A 383 -6.487 5.581 -0.176 1.00 0.00 C ATOM 832 CG PRO A 383 -5.991 5.922 1.144 1.00 0.00 C ATOM 833 CD PRO A 383 -6.661 5.028 2.111 1.00 0.00 C ATOM 0 HA PRO A 383 -8.679 5.806 -0.164 1.00 0.00 H new ATOM 0 HB2 PRO A 383 -5.869 4.814 -0.641 1.00 0.00 H new ATOM 0 HB3 PRO A 383 -6.471 6.447 -0.837 1.00 0.00 H new ATOM 0 HG2 PRO A 383 -4.909 5.798 1.192 1.00 0.00 H new ATOM 0 HG3 PRO A 383 -6.202 6.966 1.376 1.00 0.00 H new ATOM 0 HD2 PRO A 383 -6.071 4.133 2.310 1.00 0.00 H new ATOM 0 HD3 PRO A 383 -6.827 5.520 3.069 1.00 0.00 H new ATOM 841 N GLY A 384 -9.062 4.078 -1.626 1.00 0.00 N ATOM 842 CA GLY A 384 -9.307 3.189 -2.673 1.00 0.00 C ATOM 843 C GLY A 384 -9.571 1.784 -2.194 1.00 0.00 C ATOM 844 O GLY A 384 -9.655 0.883 -3.000 1.00 0.00 O ATOM 0 H GLY A 384 -9.768 4.807 -1.527 1.00 0.00 H new ATOM 0 HA2 GLY A 384 -10.164 3.539 -3.248 1.00 0.00 H new ATOM 0 HA3 GLY A 384 -8.451 3.184 -3.347 1.00 0.00 H new ATOM 848 N CYS A 385 -9.713 1.571 -0.882 1.00 0.00 N ATOM 849 CA CYS A 385 -9.945 0.274 -0.386 1.00 0.00 C ATOM 850 C CYS A 385 -11.153 -0.467 -0.842 1.00 0.00 C ATOM 851 O CYS A 385 -11.155 -1.691 -0.829 1.00 0.00 O ATOM 852 CB CYS A 385 -9.499 0.018 0.984 1.00 0.00 C ATOM 853 SG CYS A 385 -7.665 -0.153 1.192 1.00 0.00 S ATOM 0 H CYS A 385 -9.666 2.300 -0.171 1.00 0.00 H new ATOM 0 HA CYS A 385 -9.208 -0.262 -0.984 1.00 0.00 H new ATOM 0 HB2 CYS A 385 -9.848 0.831 1.621 1.00 0.00 H new ATOM 0 HB3 CYS A 385 -9.977 -0.894 1.341 1.00 0.00 H new ATOM 858 N ILE A 386 -12.141 0.262 -1.289 1.00 0.00 N ATOM 859 CA ILE A 386 -13.339 -0.310 -1.888 1.00 0.00 C ATOM 860 C ILE A 386 -12.887 -1.193 -3.113 1.00 0.00 C ATOM 861 O ILE A 386 -13.443 -2.241 -3.419 1.00 0.00 O ATOM 862 CB ILE A 386 -14.223 0.855 -2.441 1.00 0.00 C ATOM 863 CG1 ILE A 386 -14.555 1.906 -1.354 1.00 0.00 C ATOM 864 CG2 ILE A 386 -15.510 0.324 -3.044 1.00 0.00 C ATOM 865 CD1 ILE A 386 -15.075 1.347 -0.053 1.00 0.00 C ATOM 0 H ILE A 386 -12.146 1.281 -1.252 1.00 0.00 H new ATOM 0 HA ILE A 386 -13.892 -0.898 -1.156 1.00 0.00 H new ATOM 0 HB ILE A 386 -13.636 1.346 -3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 386 -13.656 2.487 -1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 386 -15.296 2.597 -1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 386 -16.106 1.156 -3.421 1.00 0.00 H new ATOM 0 HG22 ILE A 386 -15.275 -0.355 -3.864 1.00 0.00 H new ATOM 0 HG23 ILE A 386 -16.076 -0.211 -2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 386 -15.277 2.164 0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 386 -15.995 0.792 -0.237 1.00 0.00 H new ATOM 0 HD13 ILE A 386 -14.330 0.680 0.380 1.00 0.00 H new TER 877 ILE A 386 HETATM 878 ZN ZN A 1 1.202 7.923 -4.179 1.00 0.00 ZN HETATM 879 ZN ZN A 2 -7.621 -0.612 3.378 1.00 0.00 ZN