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= -0.8 K(o=-0.8,f=-5.2!) USER MOD Single : A 339 TYR OH : rot 180:sc= 0 USER MOD Single : A 340 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 346 TYR OH : rot -67:sc= 1.01 USER MOD Single : A 349 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 353 LYS NZ :NH3+ 164:sc= 2.11 (180deg=1.6) USER MOD Single : A 355 GLN : amide:sc= -0.0104 K(o=-0.01,f=-0.51) USER MOD Single : A 356 HIS : no HE2:sc= -1.07 X(o=-1.1,f=-0.75) USER MOD Single : A 358 TYR OH : rot -129:sc= 0.703 USER MOD Single : A 364 GLN :FLIP amide:sc= -6.77! C(o=-10!,f=-6.8!) USER MOD Single : A 365 ASN : amide:sc= -3.4 K(o=-3.4,f=-19!) USER MOD Single : A 376 HIS :FLIP no HD1:sc= -0.17 F(o=-1.2,f=-0.17) USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 380 HIS : no HE2:sc= -2.53 K(o=-2.5,f=-3.3!) USER MOD Single : A 381 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 328 -0.471 -10.155 4.572 1.00 0.00 N ATOM 2 CA LEU A 328 -0.018 -9.285 5.626 1.00 0.00 C ATOM 3 C LEU A 328 -1.211 -8.428 6.061 1.00 0.00 C ATOM 4 O LEU A 328 -1.918 -7.923 5.240 1.00 0.00 O ATOM 5 CB LEU A 328 1.009 -8.385 4.970 1.00 0.00 C ATOM 6 CG LEU A 328 2.147 -9.116 4.251 1.00 0.00 C ATOM 7 CD1 LEU A 328 3.065 -8.128 3.587 1.00 0.00 C ATOM 8 CD2 LEU A 328 2.924 -10.006 5.213 1.00 0.00 C ATOM 0 HA LEU A 328 0.387 -9.820 6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 328 0.500 -7.742 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 328 1.439 -7.735 5.732 1.00 0.00 H new ATOM 0 HG LEU A 328 1.708 -9.755 3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 328 3.869 -8.662 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 328 2.504 -7.542 2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 328 3.489 -7.463 4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 328 3.725 -10.512 4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 328 3.351 -9.396 6.009 1.00 0.00 H new ATOM 0 HD23 LEU A 328 2.253 -10.748 5.645 1.00 0.00 H new ATOM 20 N ASP A 329 -1.443 -8.332 7.352 1.00 0.00 N ATOM 21 CA ASP A 329 -2.542 -7.506 7.927 1.00 0.00 C ATOM 22 C ASP A 329 -2.036 -6.226 8.595 1.00 0.00 C ATOM 23 O ASP A 329 -2.789 -5.518 9.264 1.00 0.00 O ATOM 24 CB ASP A 329 -3.412 -8.318 8.914 1.00 0.00 C ATOM 25 CG ASP A 329 -2.693 -8.790 10.172 1.00 0.00 C ATOM 26 OD1 ASP A 329 -1.577 -8.336 10.469 1.00 0.00 O ATOM 27 OD2 ASP A 329 -3.267 -9.620 10.909 1.00 0.00 O ATOM 0 H ASP A 329 -0.886 -8.817 8.055 1.00 0.00 H new ATOM 0 HA ASP A 329 -3.162 -7.208 7.082 1.00 0.00 H new ATOM 0 HB2 ASP A 329 -4.265 -7.707 9.209 1.00 0.00 H new ATOM 0 HB3 ASP A 329 -3.809 -9.189 8.393 1.00 0.00 H new ATOM 32 N ALA A 330 -0.793 -5.925 8.367 1.00 0.00 N ATOM 33 CA ALA A 330 -0.044 -4.968 9.177 1.00 0.00 C ATOM 34 C ALA A 330 -0.526 -3.487 9.261 1.00 0.00 C ATOM 35 O ALA A 330 -0.498 -2.948 10.358 1.00 0.00 O ATOM 36 CB ALA A 330 1.412 -5.007 8.755 1.00 0.00 C ATOM 0 H ALA A 330 -0.249 -6.334 7.607 1.00 0.00 H new ATOM 0 HA ALA A 330 -0.224 -5.318 10.193 1.00 0.00 H new ATOM 0 HB1 ALA A 330 1.983 -4.296 9.352 1.00 0.00 H new ATOM 0 HB2 ALA A 330 1.808 -6.011 8.908 1.00 0.00 H new ATOM 0 HB3 ALA A 330 1.493 -4.742 7.701 1.00 0.00 H new ATOM 42 N PHE A 331 -1.050 -2.866 8.171 1.00 0.00 N ATOM 43 CA PHE A 331 -1.230 -1.361 8.173 1.00 0.00 C ATOM 44 C PHE A 331 -0.087 -0.594 8.827 1.00 0.00 C ATOM 45 O PHE A 331 -0.261 0.049 9.872 1.00 0.00 O ATOM 46 CB PHE A 331 -2.571 -0.784 8.660 1.00 0.00 C ATOM 47 CG PHE A 331 -3.741 -0.909 7.755 1.00 0.00 C ATOM 48 CD1 PHE A 331 -3.815 -0.047 6.691 1.00 0.00 C ATOM 49 CD2 PHE A 331 -4.769 -1.811 7.962 1.00 0.00 C ATOM 50 CE1 PHE A 331 -4.861 -0.050 5.846 1.00 0.00 C ATOM 51 CE2 PHE A 331 -5.859 -1.822 7.096 1.00 0.00 C ATOM 52 CZ PHE A 331 -5.893 -0.917 6.031 1.00 0.00 C ATOM 0 H PHE A 331 -1.345 -3.338 7.317 1.00 0.00 H new ATOM 0 HA PHE A 331 -1.226 -1.195 7.096 1.00 0.00 H new ATOM 0 HB2 PHE A 331 -2.823 -1.268 9.603 1.00 0.00 H new ATOM 0 HB3 PHE A 331 -2.423 0.274 8.874 1.00 0.00 H new ATOM 0 HD1 PHE A 331 -3.010 0.654 6.527 1.00 0.00 H new ATOM 0 HD2 PHE A 331 -4.726 -2.503 8.790 1.00 0.00 H new ATOM 0 HE1 PHE A 331 -4.882 0.640 5.015 1.00 0.00 H new ATOM 0 HE2 PHE A 331 -6.668 -2.521 7.245 1.00 0.00 H new ATOM 0 HZ PHE A 331 -6.737 -0.906 5.357 1.00 0.00 H new ATOM 62 N GLN A 332 1.058 -0.677 8.252 1.00 0.00 N ATOM 63 CA GLN A 332 2.228 -0.105 8.841 1.00 0.00 C ATOM 64 C GLN A 332 3.018 0.647 7.858 1.00 0.00 C ATOM 65 O GLN A 332 2.830 0.482 6.623 1.00 0.00 O ATOM 66 CB GLN A 332 3.129 -1.140 9.517 1.00 0.00 C ATOM 67 CG GLN A 332 2.516 -1.860 10.700 1.00 0.00 C ATOM 68 CD GLN A 332 3.475 -2.833 11.341 1.00 0.00 C ATOM 69 OE1 GLN A 332 3.563 -3.984 10.947 1.00 0.00 O ATOM 70 NE2 GLN A 332 4.196 -2.382 12.324 1.00 0.00 N ATOM 0 H GLN A 332 1.217 -1.143 7.359 1.00 0.00 H new ATOM 0 HA GLN A 332 1.857 0.573 9.609 1.00 0.00 H new ATOM 0 HB2 GLN A 332 3.423 -1.882 8.774 1.00 0.00 H new ATOM 0 HB3 GLN A 332 4.040 -0.642 9.848 1.00 0.00 H new ATOM 0 HG2 GLN A 332 2.196 -1.128 11.441 1.00 0.00 H new ATOM 0 HG3 GLN A 332 1.624 -2.395 10.374 1.00 0.00 H new ATOM 0 HE21 GLN A 332 4.096 -1.413 12.627 1.00 0.00 H new ATOM 0 HE22 GLN A 332 4.862 -2.997 12.792 1.00 0.00 H new ATOM 79 N GLU A 333 3.860 1.497 8.376 1.00 0.00 N ATOM 80 CA GLU A 333 4.868 2.062 7.599 1.00 0.00 C ATOM 81 C GLU A 333 6.074 1.162 7.679 1.00 0.00 C ATOM 82 O GLU A 333 6.649 0.886 8.738 1.00 0.00 O ATOM 83 CB GLU A 333 5.170 3.511 7.986 1.00 0.00 C ATOM 84 CG GLU A 333 5.723 3.717 9.371 1.00 0.00 C ATOM 85 CD GLU A 333 5.912 5.166 9.707 1.00 0.00 C ATOM 86 OE1 GLU A 333 5.868 6.031 8.788 1.00 0.00 O ATOM 87 OE2 GLU A 333 6.145 5.479 10.891 1.00 0.00 O ATOM 0 H GLU A 333 3.847 1.802 9.349 1.00 0.00 H new ATOM 0 HA GLU A 333 4.539 2.129 6.562 1.00 0.00 H new ATOM 0 HB2 GLU A 333 5.881 3.919 7.267 1.00 0.00 H new ATOM 0 HB3 GLU A 333 4.252 4.091 7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 333 5.049 3.264 10.098 1.00 0.00 H new ATOM 0 HG3 GLU A 333 6.679 3.200 9.457 1.00 0.00 H new ATOM 94 N ILE A 334 6.390 0.698 6.562 1.00 0.00 N ATOM 95 CA ILE A 334 7.429 -0.196 6.306 1.00 0.00 C ATOM 96 C ILE A 334 8.534 0.569 5.571 1.00 0.00 C ATOM 97 O ILE A 334 8.259 1.267 4.624 1.00 0.00 O ATOM 98 CB ILE A 334 6.862 -1.462 5.545 1.00 0.00 C ATOM 99 CG1 ILE A 334 7.929 -2.274 4.842 1.00 0.00 C ATOM 100 CG2 ILE A 334 5.687 -1.146 4.626 1.00 0.00 C ATOM 101 CD1 ILE A 334 7.413 -3.573 4.248 1.00 0.00 C ATOM 0 H ILE A 334 5.884 0.954 5.714 1.00 0.00 H new ATOM 0 HA ILE A 334 7.877 -0.595 7.216 1.00 0.00 H new ATOM 0 HB ILE A 334 6.467 -2.098 6.337 1.00 0.00 H new ATOM 0 HG12 ILE A 334 8.368 -1.671 4.048 1.00 0.00 H new ATOM 0 HG13 ILE A 334 8.727 -2.500 5.549 1.00 0.00 H new ATOM 0 HG21 ILE A 334 5.351 -2.061 4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 334 4.870 -0.726 5.212 1.00 0.00 H new ATOM 0 HG23 ILE A 334 6.000 -0.425 3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 334 8.233 -4.101 3.761 1.00 0.00 H new ATOM 0 HD12 ILE A 334 7.000 -4.197 5.041 1.00 0.00 H new ATOM 0 HD13 ILE A 334 6.636 -3.355 3.516 1.00 0.00 H new ATOM 113 N PRO A 335 9.759 0.612 6.112 1.00 0.00 N ATOM 114 CA PRO A 335 10.863 1.311 5.515 1.00 0.00 C ATOM 115 C PRO A 335 11.170 0.746 4.189 1.00 0.00 C ATOM 116 O PRO A 335 10.845 -0.428 3.912 1.00 0.00 O ATOM 117 CB PRO A 335 12.022 1.086 6.489 1.00 0.00 C ATOM 118 CG PRO A 335 11.343 0.742 7.733 1.00 0.00 C ATOM 119 CD PRO A 335 10.215 -0.094 7.289 1.00 0.00 C ATOM 0 HA PRO A 335 10.658 2.370 5.357 1.00 0.00 H new ATOM 0 HB2 PRO A 335 12.681 0.285 6.154 1.00 0.00 H new ATOM 0 HB3 PRO A 335 12.637 1.980 6.598 1.00 0.00 H new ATOM 0 HG2 PRO A 335 12.001 0.200 8.413 1.00 0.00 H new ATOM 0 HG3 PRO A 335 11.000 1.631 8.262 1.00 0.00 H new ATOM 0 HD2 PRO A 335 10.529 -1.112 7.058 1.00 0.00 H new ATOM 0 HD3 PRO A 335 9.437 -0.165 8.049 1.00 0.00 H new ATOM 127 N LEU A 336 11.776 1.532 3.366 1.00 0.00 N ATOM 128 CA LEU A 336 12.215 1.058 2.094 1.00 0.00 C ATOM 129 C LEU A 336 13.162 -0.108 2.316 1.00 0.00 C ATOM 130 O LEU A 336 13.257 -1.021 1.505 1.00 0.00 O ATOM 131 CB LEU A 336 12.929 2.126 1.321 1.00 0.00 C ATOM 132 CG LEU A 336 12.164 3.379 1.000 1.00 0.00 C ATOM 133 CD1 LEU A 336 13.076 4.259 0.241 1.00 0.00 C ATOM 134 CD2 LEU A 336 10.988 3.063 0.110 1.00 0.00 C ATOM 0 H LEU A 336 11.981 2.514 3.551 1.00 0.00 H new ATOM 0 HA LEU A 336 11.341 0.753 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 336 13.819 2.410 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 336 13.270 1.690 0.382 1.00 0.00 H new ATOM 0 HG LEU A 336 11.806 3.841 1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 336 12.560 5.185 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 336 13.951 4.487 0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 336 13.391 3.755 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 336 10.444 3.981 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 336 11.344 2.617 -0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 336 10.325 2.363 0.618 1.00 0.00 H new ATOM 146 N GLU A 337 13.884 -0.023 3.426 1.00 0.00 N ATOM 147 CA GLU A 337 14.851 -1.031 3.819 1.00 0.00 C ATOM 148 C GLU A 337 14.194 -2.411 3.949 1.00 0.00 C ATOM 149 O GLU A 337 14.731 -3.417 3.488 1.00 0.00 O ATOM 150 CB GLU A 337 15.259 -0.664 5.252 1.00 0.00 C ATOM 151 CG GLU A 337 16.397 -1.489 5.835 1.00 0.00 C ATOM 152 CD GLU A 337 17.701 -1.264 5.133 1.00 0.00 C ATOM 153 OE1 GLU A 337 17.903 -0.190 4.546 1.00 0.00 O ATOM 154 OE2 GLU A 337 18.548 -2.174 5.132 1.00 0.00 O ATOM 0 H GLU A 337 13.812 0.755 4.082 1.00 0.00 H new ATOM 0 HA GLU A 337 15.660 -1.064 3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 337 15.547 0.387 5.273 1.00 0.00 H new ATOM 0 HB3 GLU A 337 14.388 -0.769 5.899 1.00 0.00 H new ATOM 0 HG2 GLU A 337 16.512 -1.244 6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 337 16.138 -2.546 5.779 1.00 0.00 H new ATOM 161 N GLU A 338 13.033 -2.404 4.550 1.00 0.00 N ATOM 162 CA GLU A 338 12.233 -3.578 4.812 1.00 0.00 C ATOM 163 C GLU A 338 11.645 -4.227 3.562 1.00 0.00 C ATOM 164 O GLU A 338 11.528 -5.449 3.470 1.00 0.00 O ATOM 165 CB GLU A 338 11.164 -3.238 5.830 1.00 0.00 C ATOM 166 CG GLU A 338 10.327 -4.413 6.302 1.00 0.00 C ATOM 167 CD GLU A 338 11.118 -5.393 7.121 1.00 0.00 C ATOM 168 OE1 GLU A 338 12.103 -4.993 7.775 1.00 0.00 O ATOM 169 OE2 GLU A 338 10.756 -6.586 7.139 1.00 0.00 O ATOM 0 H GLU A 338 12.598 -1.545 4.886 1.00 0.00 H new ATOM 0 HA GLU A 338 12.900 -4.338 5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 338 11.642 -2.781 6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 338 10.500 -2.488 5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 338 9.489 -4.043 6.893 1.00 0.00 H new ATOM 0 HG3 GLU A 338 9.905 -4.925 5.437 1.00 0.00 H new ATOM 176 N TYR A 339 11.296 -3.407 2.602 1.00 0.00 N ATOM 177 CA TYR A 339 10.516 -3.859 1.477 1.00 0.00 C ATOM 178 C TYR A 339 11.322 -3.877 0.206 1.00 0.00 C ATOM 179 O TYR A 339 11.911 -2.882 -0.177 1.00 0.00 O ATOM 180 CB TYR A 339 9.320 -2.884 1.318 1.00 0.00 C ATOM 181 CG TYR A 339 8.317 -3.194 0.213 1.00 0.00 C ATOM 182 CD1 TYR A 339 7.235 -4.039 0.428 1.00 0.00 C ATOM 183 CD2 TYR A 339 8.441 -2.604 -1.038 1.00 0.00 C ATOM 184 CE1 TYR A 339 6.316 -4.289 -0.581 1.00 0.00 C ATOM 185 CE2 TYR A 339 7.528 -2.850 -2.044 1.00 0.00 C ATOM 186 CZ TYR A 339 6.475 -3.691 -1.812 1.00 0.00 C ATOM 187 OH TYR A 339 5.579 -3.942 -2.818 1.00 0.00 O ATOM 0 H TYR A 339 11.542 -2.417 2.578 1.00 0.00 H new ATOM 0 HA TYR A 339 10.181 -4.880 1.660 1.00 0.00 H new ATOM 0 HB2 TYR A 339 8.781 -2.851 2.265 1.00 0.00 H new ATOM 0 HB3 TYR A 339 9.719 -1.885 1.143 1.00 0.00 H new ATOM 0 HD1 TYR A 339 7.108 -4.507 1.393 1.00 0.00 H new ATOM 0 HD2 TYR A 339 9.270 -1.938 -1.228 1.00 0.00 H new ATOM 0 HE1 TYR A 339 5.480 -4.949 -0.402 1.00 0.00 H new ATOM 0 HE2 TYR A 339 7.645 -2.380 -3.010 1.00 0.00 H new ATOM 0 HH TYR A 339 5.837 -3.440 -3.619 1.00 0.00 H new ATOM 197 N ASN A 340 11.299 -4.996 -0.455 1.00 0.00 N ATOM 198 CA ASN A 340 11.879 -5.147 -1.766 1.00 0.00 C ATOM 199 C ASN A 340 10.751 -5.201 -2.764 1.00 0.00 C ATOM 200 O ASN A 340 9.873 -6.063 -2.674 1.00 0.00 O ATOM 201 CB ASN A 340 12.746 -6.409 -1.853 1.00 0.00 C ATOM 202 CG ASN A 340 13.417 -6.579 -3.212 1.00 0.00 C ATOM 203 OD1 ASN A 340 12.919 -7.314 -4.074 1.00 0.00 O ATOM 204 ND2 ASN A 340 14.529 -5.935 -3.415 1.00 0.00 N ATOM 0 H ASN A 340 10.870 -5.848 -0.095 1.00 0.00 H new ATOM 0 HA ASN A 340 12.535 -4.303 -1.979 1.00 0.00 H new ATOM 0 HB2 ASN A 340 13.512 -6.371 -1.078 1.00 0.00 H new ATOM 0 HB3 ASN A 340 12.128 -7.283 -1.648 1.00 0.00 H new ATOM 0 HD21 ASN A 340 15.017 -6.028 -4.306 1.00 0.00 H new ATOM 0 HD22 ASN A 340 14.913 -5.337 -2.683 1.00 0.00 H new ATOM 211 N GLY A 341 10.723 -4.262 -3.638 1.00 0.00 N ATOM 212 CA GLY A 341 9.693 -4.168 -4.611 1.00 0.00 C ATOM 213 C GLY A 341 9.793 -2.841 -5.247 1.00 0.00 C ATOM 214 O GLY A 341 10.707 -2.099 -4.938 1.00 0.00 O ATOM 0 H GLY A 341 11.425 -3.525 -3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 341 9.798 -4.957 -5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 341 8.715 -4.296 -4.146 1.00 0.00 H new ATOM 218 N GLU A 342 8.892 -2.499 -6.094 1.00 0.00 N ATOM 219 CA GLU A 342 8.955 -1.203 -6.673 1.00 0.00 C ATOM 220 C GLU A 342 8.008 -0.375 -5.854 1.00 0.00 C ATOM 221 O GLU A 342 6.810 -0.623 -5.847 1.00 0.00 O ATOM 222 CB GLU A 342 8.568 -1.230 -8.131 1.00 0.00 C ATOM 223 CG GLU A 342 8.871 0.067 -8.843 1.00 0.00 C ATOM 224 CD GLU A 342 10.367 0.331 -8.952 1.00 0.00 C ATOM 225 OE1 GLU A 342 11.168 -0.640 -8.949 1.00 0.00 O ATOM 226 OE2 GLU A 342 10.771 1.513 -9.034 1.00 0.00 O ATOM 0 H GLU A 342 8.114 -3.084 -6.399 1.00 0.00 H new ATOM 0 HA GLU A 342 9.965 -0.793 -6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 342 9.097 -2.043 -8.627 1.00 0.00 H new ATOM 0 HB3 GLU A 342 7.503 -1.445 -8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 342 8.435 0.041 -9.842 1.00 0.00 H new ATOM 0 HG3 GLU A 342 8.397 0.891 -8.310 1.00 0.00 H new ATOM 233 N ARG A 343 8.534 0.578 -5.138 1.00 0.00 N ATOM 234 CA ARG A 343 7.752 1.198 -4.106 1.00 0.00 C ATOM 235 C ARG A 343 6.929 2.369 -4.626 1.00 0.00 C ATOM 236 O ARG A 343 7.455 3.487 -4.815 1.00 0.00 O ATOM 237 CB ARG A 343 8.655 1.704 -2.945 1.00 0.00 C ATOM 238 CG ARG A 343 9.526 0.665 -2.225 1.00 0.00 C ATOM 239 CD ARG A 343 10.809 0.358 -2.987 1.00 0.00 C ATOM 240 NE ARG A 343 11.640 -0.651 -2.331 1.00 0.00 N ATOM 241 CZ ARG A 343 12.803 -1.121 -2.828 1.00 0.00 C ATOM 242 NH1 ARG A 343 13.303 -0.644 -3.957 1.00 0.00 N ATOM 243 NH2 ARG A 343 13.454 -2.051 -2.182 1.00 0.00 N ATOM 0 H ARG A 343 9.482 0.937 -5.246 1.00 0.00 H new ATOM 0 HA ARG A 343 7.072 0.428 -3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 343 9.312 2.478 -3.342 1.00 0.00 H new ATOM 0 HB3 ARG A 343 8.014 2.180 -2.202 1.00 0.00 H new ATOM 0 HG2 ARG A 343 9.776 1.031 -1.229 1.00 0.00 H new ATOM 0 HG3 ARG A 343 8.956 -0.255 -2.092 1.00 0.00 H new ATOM 0 HD2 ARG A 343 10.555 0.015 -3.990 1.00 0.00 H new ATOM 0 HD3 ARG A 343 11.385 1.276 -3.101 1.00 0.00 H new ATOM 0 HE ARG A 343 11.319 -1.024 -1.438 1.00 0.00 H new ATOM 0 HH11 ARG A 343 12.808 0.089 -4.464 1.00 0.00 H new ATOM 0 HH12 ARG A 343 14.183 -1.010 -4.320 1.00 0.00 H new ATOM 0 HH21 ARG A 343 13.083 -2.419 -1.306 1.00 0.00 H new ATOM 0 HH22 ARG A 343 14.334 -2.410 -2.554 1.00 0.00 H new ATOM 257 N PHE A 344 5.667 2.090 -4.927 1.00 0.00 N ATOM 258 CA PHE A 344 4.650 3.117 -5.238 1.00 0.00 C ATOM 259 C PHE A 344 3.338 2.976 -4.369 1.00 0.00 C ATOM 260 O PHE A 344 3.101 1.967 -3.779 1.00 0.00 O ATOM 261 CB PHE A 344 4.170 3.001 -6.545 1.00 0.00 C ATOM 262 CG PHE A 344 5.144 3.119 -7.682 1.00 0.00 C ATOM 263 CD1 PHE A 344 5.630 4.340 -8.066 1.00 0.00 C ATOM 264 CD2 PHE A 344 5.556 1.999 -8.371 1.00 0.00 C ATOM 265 CE1 PHE A 344 6.508 4.452 -9.118 1.00 0.00 C ATOM 266 CE2 PHE A 344 6.426 2.107 -9.427 1.00 0.00 C ATOM 267 CZ PHE A 344 6.905 3.335 -9.801 1.00 0.00 C ATOM 0 H PHE A 344 5.305 1.137 -4.966 1.00 0.00 H new ATOM 0 HA PHE A 344 5.175 4.053 -5.049 1.00 0.00 H new ATOM 0 HB2 PHE A 344 3.676 2.033 -6.631 1.00 0.00 H new ATOM 0 HB3 PHE A 344 3.404 3.764 -6.685 1.00 0.00 H new ATOM 0 HD1 PHE A 344 5.319 5.228 -7.535 1.00 0.00 H new ATOM 0 HD2 PHE A 344 5.191 1.026 -8.077 1.00 0.00 H new ATOM 0 HE1 PHE A 344 6.885 5.423 -9.405 1.00 0.00 H new ATOM 0 HE2 PHE A 344 6.734 1.222 -9.964 1.00 0.00 H new ATOM 0 HZ PHE A 344 7.592 3.421 -10.630 1.00 0.00 H new ATOM 277 N CYS A 345 2.490 4.049 -4.301 1.00 0.00 N ATOM 278 CA CYS A 345 1.148 3.878 -3.689 1.00 0.00 C ATOM 279 C CYS A 345 0.241 3.689 -4.916 1.00 0.00 C ATOM 280 O CYS A 345 0.611 4.228 -5.980 1.00 0.00 O ATOM 281 CB CYS A 345 0.629 5.185 -3.005 1.00 0.00 C ATOM 282 SG CYS A 345 -0.183 6.384 -4.145 1.00 0.00 S ATOM 0 H CYS A 345 2.701 4.987 -4.643 1.00 0.00 H new ATOM 0 HA CYS A 345 1.165 3.081 -2.945 1.00 0.00 H new ATOM 0 HB2 CYS A 345 -0.079 4.912 -2.223 1.00 0.00 H new ATOM 0 HB3 CYS A 345 1.468 5.681 -2.517 1.00 0.00 H new ATOM 287 N TYR A 346 -0.931 3.028 -4.821 1.00 0.00 N ATOM 288 CA TYR A 346 -1.764 2.848 -6.051 1.00 0.00 C ATOM 289 C TYR A 346 -2.259 4.167 -6.649 1.00 0.00 C ATOM 290 O TYR A 346 -2.234 4.352 -7.852 1.00 0.00 O ATOM 291 CB TYR A 346 -2.991 1.913 -5.858 1.00 0.00 C ATOM 292 CG TYR A 346 -4.209 2.445 -5.085 1.00 0.00 C ATOM 293 CD1 TYR A 346 -5.192 3.185 -5.717 1.00 0.00 C ATOM 294 CD2 TYR A 346 -4.439 2.076 -3.781 1.00 0.00 C ATOM 295 CE1 TYR A 346 -6.329 3.561 -5.061 1.00 0.00 C ATOM 296 CE2 TYR A 346 -5.564 2.428 -3.127 1.00 0.00 C ATOM 297 CZ TYR A 346 -6.520 3.180 -3.770 1.00 0.00 C ATOM 298 OH TYR A 346 -7.669 3.553 -3.110 1.00 0.00 O ATOM 0 H TYR A 346 -1.314 2.627 -3.965 1.00 0.00 H new ATOM 0 HA TYR A 346 -1.070 2.373 -6.744 1.00 0.00 H new ATOM 0 HB2 TYR A 346 -3.334 1.609 -6.847 1.00 0.00 H new ATOM 0 HB3 TYR A 346 -2.644 1.013 -5.350 1.00 0.00 H new ATOM 0 HD1 TYR A 346 -5.058 3.471 -6.750 1.00 0.00 H new ATOM 0 HD2 TYR A 346 -3.696 1.486 -3.265 1.00 0.00 H new ATOM 0 HE1 TYR A 346 -7.074 4.159 -5.566 1.00 0.00 H new ATOM 0 HE2 TYR A 346 -5.714 2.121 -2.103 1.00 0.00 H new ATOM 0 HH TYR A 346 -7.674 4.525 -2.986 1.00 0.00 H new ATOM 308 N GLY A 347 -2.633 5.092 -5.767 1.00 0.00 N ATOM 309 CA GLY A 347 -3.311 6.315 -6.172 1.00 0.00 C ATOM 310 C GLY A 347 -2.582 7.165 -7.196 1.00 0.00 C ATOM 311 O GLY A 347 -3.196 7.698 -8.105 1.00 0.00 O ATOM 0 H GLY A 347 -2.475 5.014 -4.762 1.00 0.00 H new ATOM 0 HA2 GLY A 347 -4.288 6.050 -6.577 1.00 0.00 H new ATOM 0 HA3 GLY A 347 -3.488 6.921 -5.284 1.00 0.00 H new ATOM 315 N CYS A 348 -1.278 7.238 -7.091 1.00 0.00 N ATOM 316 CA CYS A 348 -0.556 8.181 -7.926 1.00 0.00 C ATOM 317 C CYS A 348 0.633 7.535 -8.628 1.00 0.00 C ATOM 318 O CYS A 348 0.899 7.787 -9.786 1.00 0.00 O ATOM 319 CB CYS A 348 -0.123 9.442 -7.111 1.00 0.00 C ATOM 320 SG CYS A 348 1.325 9.241 -5.989 1.00 0.00 S ATOM 0 H CYS A 348 -0.705 6.678 -6.459 1.00 0.00 H new ATOM 0 HA CYS A 348 -1.243 8.508 -8.707 1.00 0.00 H new ATOM 0 HB2 CYS A 348 0.100 10.243 -7.816 1.00 0.00 H new ATOM 0 HB3 CYS A 348 -0.974 9.771 -6.514 1.00 0.00 H new ATOM 325 N GLN A 349 1.325 6.675 -7.879 1.00 0.00 N ATOM 326 CA GLN A 349 2.590 6.048 -8.275 1.00 0.00 C ATOM 327 C GLN A 349 3.702 7.080 -8.555 1.00 0.00 C ATOM 328 O GLN A 349 4.483 6.930 -9.466 1.00 0.00 O ATOM 329 CB GLN A 349 2.409 5.069 -9.449 1.00 0.00 C ATOM 330 CG GLN A 349 1.482 3.906 -9.139 1.00 0.00 C ATOM 331 CD GLN A 349 1.302 2.968 -10.307 1.00 0.00 C ATOM 332 OE1 GLN A 349 1.393 3.365 -11.468 1.00 0.00 O ATOM 333 NE2 GLN A 349 1.058 1.721 -10.018 1.00 0.00 N ATOM 0 H GLN A 349 1.012 6.386 -6.952 1.00 0.00 H new ATOM 0 HA GLN A 349 2.920 5.462 -7.417 1.00 0.00 H new ATOM 0 HB2 GLN A 349 2.018 5.614 -10.308 1.00 0.00 H new ATOM 0 HB3 GLN A 349 3.385 4.677 -9.737 1.00 0.00 H new ATOM 0 HG2 GLN A 349 1.879 3.349 -8.290 1.00 0.00 H new ATOM 0 HG3 GLN A 349 0.509 4.294 -8.839 1.00 0.00 H new ATOM 0 HE21 GLN A 349 0.989 1.427 -9.044 1.00 0.00 H new ATOM 0 HE22 GLN A 349 0.936 1.039 -10.766 1.00 0.00 H new ATOM 342 N GLY A 350 3.746 8.112 -7.729 1.00 0.00 N ATOM 343 CA GLY A 350 4.862 9.062 -7.685 1.00 0.00 C ATOM 344 C GLY A 350 6.204 8.440 -7.287 1.00 0.00 C ATOM 345 O GLY A 350 7.244 8.890 -7.736 1.00 0.00 O ATOM 0 H GLY A 350 3.004 8.322 -7.061 1.00 0.00 H new ATOM 0 HA2 GLY A 350 4.967 9.527 -8.665 1.00 0.00 H new ATOM 0 HA3 GLY A 350 4.620 9.857 -6.979 1.00 0.00 H new ATOM 349 N GLU A 351 6.114 7.398 -6.412 1.00 0.00 N ATOM 350 CA GLU A 351 7.226 6.716 -5.670 1.00 0.00 C ATOM 351 C GLU A 351 7.157 6.996 -4.174 1.00 0.00 C ATOM 352 O GLU A 351 6.830 8.090 -3.761 1.00 0.00 O ATOM 353 CB GLU A 351 8.662 6.842 -6.233 1.00 0.00 C ATOM 354 CG GLU A 351 8.887 6.177 -7.577 1.00 0.00 C ATOM 355 CD GLU A 351 10.318 6.262 -8.043 1.00 0.00 C ATOM 356 OE1 GLU A 351 11.095 7.078 -7.521 1.00 0.00 O ATOM 357 OE2 GLU A 351 10.707 5.487 -8.928 1.00 0.00 O ATOM 0 H GLU A 351 5.209 6.983 -6.189 1.00 0.00 H new ATOM 0 HA GLU A 351 7.018 5.661 -5.851 1.00 0.00 H new ATOM 0 HB2 GLU A 351 8.909 7.900 -6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 351 9.357 6.413 -5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 351 8.593 5.129 -7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 351 8.240 6.644 -8.320 1.00 0.00 H new ATOM 364 N LEU A 352 7.340 5.947 -3.383 1.00 0.00 N ATOM 365 CA LEU A 352 7.183 5.982 -1.881 1.00 0.00 C ATOM 366 C LEU A 352 8.532 6.259 -1.243 1.00 0.00 C ATOM 367 O LEU A 352 8.700 6.400 -0.026 1.00 0.00 O ATOM 368 CB LEU A 352 6.804 4.593 -1.475 1.00 0.00 C ATOM 369 CG LEU A 352 5.740 4.016 -2.224 1.00 0.00 C ATOM 370 CD1 LEU A 352 5.376 2.683 -1.601 1.00 0.00 C ATOM 371 CD2 LEU A 352 4.591 4.929 -2.264 1.00 0.00 C ATOM 0 H LEU A 352 7.604 5.028 -3.739 1.00 0.00 H new ATOM 0 HA LEU A 352 6.456 6.738 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 352 7.681 3.952 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 352 6.523 4.602 -0.422 1.00 0.00 H new ATOM 0 HG LEU A 352 6.052 3.849 -3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 352 4.561 2.228 -2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 352 6.243 2.023 -1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 352 5.061 2.838 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 352 3.785 4.475 -2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 352 4.246 5.124 -1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 352 4.888 5.867 -2.733 1.00 0.00 H new ATOM 383 N LYS A 353 9.430 6.360 -2.115 1.00 0.00 N ATOM 384 CA LYS A 353 10.839 6.310 -1.948 1.00 0.00 C ATOM 385 C LYS A 353 11.430 7.366 -1.013 1.00 0.00 C ATOM 386 O LYS A 353 12.517 7.174 -0.470 1.00 0.00 O ATOM 387 CB LYS A 353 11.444 6.218 -3.309 1.00 0.00 C ATOM 388 CG LYS A 353 10.975 4.920 -3.981 1.00 0.00 C ATOM 389 CD LYS A 353 11.607 4.707 -5.303 1.00 0.00 C ATOM 390 CE LYS A 353 11.053 3.492 -6.028 1.00 0.00 C ATOM 391 NZ LYS A 353 11.661 3.344 -7.366 1.00 0.00 N ATOM 0 H LYS A 353 9.182 6.498 -3.095 1.00 0.00 H new ATOM 0 HA LYS A 353 11.109 5.416 -1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 353 11.151 7.079 -3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 353 12.532 6.233 -3.239 1.00 0.00 H new ATOM 0 HG2 LYS A 353 11.204 4.075 -3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 353 9.892 4.947 -4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 353 11.457 5.593 -5.920 1.00 0.00 H new ATOM 0 HD3 LYS A 353 12.683 4.588 -5.172 1.00 0.00 H new ATOM 0 HE2 LYS A 353 11.243 2.595 -5.438 1.00 0.00 H new ATOM 0 HE3 LYS A 353 9.971 3.586 -6.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 353 11.481 2.385 -7.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 353 11.244 4.041 -8.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 353 12.687 3.502 -7.301 1.00 0.00 H new ATOM 405 N ASP A 354 10.752 8.494 -0.876 1.00 0.00 N ATOM 406 CA ASP A 354 11.227 9.597 -0.018 1.00 0.00 C ATOM 407 C ASP A 354 11.576 9.116 1.398 1.00 0.00 C ATOM 408 O ASP A 354 12.598 9.544 1.967 1.00 0.00 O ATOM 409 CB ASP A 354 10.113 10.641 0.127 1.00 0.00 C ATOM 410 CG ASP A 354 10.548 11.870 0.885 1.00 0.00 C ATOM 411 OD1 ASP A 354 11.181 12.759 0.296 1.00 0.00 O ATOM 412 OD2 ASP A 354 10.225 11.986 2.075 1.00 0.00 O ATOM 0 H ASP A 354 9.866 8.682 -1.345 1.00 0.00 H new ATOM 0 HA ASP A 354 12.118 10.009 -0.491 1.00 0.00 H new ATOM 0 HB2 ASP A 354 9.769 10.936 -0.864 1.00 0.00 H new ATOM 0 HB3 ASP A 354 9.263 10.188 0.638 1.00 0.00 H new ATOM 417 N GLN A 355 10.792 8.188 1.939 1.00 0.00 N ATOM 418 CA GLN A 355 11.021 7.704 3.298 1.00 0.00 C ATOM 419 C GLN A 355 10.304 6.388 3.620 1.00 0.00 C ATOM 420 O GLN A 355 10.933 5.400 3.987 1.00 0.00 O ATOM 421 CB GLN A 355 10.785 8.818 4.358 1.00 0.00 C ATOM 422 CG GLN A 355 9.429 9.498 4.288 1.00 0.00 C ATOM 423 CD GLN A 355 9.236 10.569 5.342 1.00 0.00 C ATOM 424 OE1 GLN A 355 9.809 10.504 6.429 1.00 0.00 O ATOM 425 NE2 GLN A 355 8.478 11.586 5.012 1.00 0.00 N ATOM 0 H GLN A 355 9.999 7.759 1.463 1.00 0.00 H new ATOM 0 HA GLN A 355 12.079 7.447 3.351 1.00 0.00 H new ATOM 0 HB2 GLN A 355 10.906 8.385 5.351 1.00 0.00 H new ATOM 0 HB3 GLN A 355 11.560 9.576 4.245 1.00 0.00 H new ATOM 0 HG2 GLN A 355 9.305 9.944 3.301 1.00 0.00 H new ATOM 0 HG3 GLN A 355 8.648 8.746 4.398 1.00 0.00 H new ATOM 0 HE21 GLN A 355 8.019 11.605 4.102 1.00 0.00 H new ATOM 0 HE22 GLN A 355 8.348 12.358 5.666 1.00 0.00 H new ATOM 434 N HIS A 356 9.004 6.373 3.491 1.00 0.00 N ATOM 435 CA HIS A 356 8.211 5.210 3.853 1.00 0.00 C ATOM 436 C HIS A 356 7.280 4.658 2.864 1.00 0.00 C ATOM 437 O HIS A 356 6.726 5.340 2.008 1.00 0.00 O ATOM 438 CB HIS A 356 7.552 5.227 5.233 1.00 0.00 C ATOM 439 CG HIS A 356 8.463 4.987 6.349 1.00 0.00 C ATOM 440 ND1 HIS A 356 9.016 5.948 7.155 1.00 0.00 N ATOM 441 CD2 HIS A 356 8.902 3.811 6.796 1.00 0.00 C ATOM 442 CE1 HIS A 356 9.770 5.362 8.063 1.00 0.00 C ATOM 443 NE2 HIS A 356 9.717 4.058 7.871 1.00 0.00 N ATOM 0 H HIS A 356 8.459 7.158 3.135 1.00 0.00 H new ATOM 0 HA HIS A 356 9.047 4.511 3.887 1.00 0.00 H new ATOM 0 HB2 HIS A 356 7.069 6.193 5.378 1.00 0.00 H new ATOM 0 HB3 HIS A 356 6.766 4.472 5.254 1.00 0.00 H new ATOM 0 HD1 HIS A 356 8.868 6.953 7.066 1.00 0.00 H new ATOM 0 HD2 HIS A 356 8.660 2.841 6.387 1.00 0.00 H new ATOM 0 HE1 HIS A 356 10.336 5.864 8.834 1.00 0.00 H new ATOM 452 N VAL A 357 7.088 3.395 3.077 1.00 0.00 N ATOM 453 CA VAL A 357 6.218 2.542 2.390 1.00 0.00 C ATOM 454 C VAL A 357 5.101 2.228 3.381 1.00 0.00 C ATOM 455 O VAL A 357 5.349 2.053 4.551 1.00 0.00 O ATOM 456 CB VAL A 357 6.968 1.233 2.064 1.00 0.00 C ATOM 457 CG1 VAL A 357 6.143 0.298 1.303 1.00 0.00 C ATOM 458 CG2 VAL A 357 8.259 1.484 1.344 1.00 0.00 C ATOM 0 H VAL A 357 7.595 2.903 3.813 1.00 0.00 H new ATOM 0 HA VAL A 357 5.844 2.983 1.466 1.00 0.00 H new ATOM 0 HB VAL A 357 7.199 0.776 3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 357 6.714 -0.607 1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 357 5.254 0.043 1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 357 5.844 0.759 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 357 8.751 0.534 1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 357 8.058 2.001 0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 357 8.909 2.100 1.966 1.00 0.00 H new ATOM 468 N TYR A 358 3.925 2.285 2.931 1.00 0.00 N ATOM 469 CA TYR A 358 2.711 2.059 3.715 1.00 0.00 C ATOM 470 C TYR A 358 1.937 0.938 3.128 1.00 0.00 C ATOM 471 O TYR A 358 2.105 0.661 1.963 1.00 0.00 O ATOM 472 CB TYR A 358 1.928 3.358 3.714 1.00 0.00 C ATOM 473 CG TYR A 358 2.625 4.450 4.441 1.00 0.00 C ATOM 474 CD1 TYR A 358 3.506 5.270 3.791 1.00 0.00 C ATOM 475 CD2 TYR A 358 2.431 4.634 5.798 1.00 0.00 C ATOM 476 CE1 TYR A 358 4.191 6.232 4.453 1.00 0.00 C ATOM 477 CE2 TYR A 358 3.105 5.617 6.477 1.00 0.00 C ATOM 478 CZ TYR A 358 3.990 6.412 5.802 1.00 0.00 C ATOM 479 OH TYR A 358 4.701 7.378 6.485 1.00 0.00 O ATOM 0 H TYR A 358 3.728 2.500 1.954 1.00 0.00 H new ATOM 0 HA TYR A 358 2.940 1.778 4.743 1.00 0.00 H new ATOM 0 HB2 TYR A 358 1.750 3.669 2.685 1.00 0.00 H new ATOM 0 HB3 TYR A 358 0.952 3.189 4.170 1.00 0.00 H new ATOM 0 HD1 TYR A 358 3.658 5.148 2.729 1.00 0.00 H new ATOM 0 HD2 TYR A 358 1.740 3.996 6.329 1.00 0.00 H new ATOM 0 HE1 TYR A 358 4.894 6.857 3.923 1.00 0.00 H new ATOM 0 HE2 TYR A 358 2.939 5.762 7.534 1.00 0.00 H new ATOM 0 HH TYR A 358 5.118 6.979 7.277 1.00 0.00 H new ATOM 489 N VAL A 359 1.189 0.197 3.903 1.00 0.00 N ATOM 490 CA VAL A 359 0.357 -0.807 3.239 1.00 0.00 C ATOM 491 C VAL A 359 -1.132 -0.712 3.641 1.00 0.00 C ATOM 492 O VAL A 359 -1.431 -0.359 4.773 1.00 0.00 O ATOM 493 CB VAL A 359 0.877 -2.275 3.541 1.00 0.00 C ATOM 494 CG1 VAL A 359 2.319 -2.477 3.082 1.00 0.00 C ATOM 495 CG2 VAL A 359 0.749 -2.625 5.009 1.00 0.00 C ATOM 0 H VAL A 359 1.127 0.248 4.920 1.00 0.00 H new ATOM 0 HA VAL A 359 0.436 -0.597 2.172 1.00 0.00 H new ATOM 0 HB VAL A 359 0.239 -2.948 2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 359 2.634 -3.496 3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 359 2.386 -2.307 2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 359 2.968 -1.773 3.602 1.00 0.00 H new ATOM 0 HG21 VAL A 359 1.116 -3.638 5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 359 1.337 -1.925 5.603 1.00 0.00 H new ATOM 0 HG23 VAL A 359 -0.298 -2.564 5.308 1.00 0.00 H new ATOM 505 N CYS A 360 -2.106 -0.971 2.670 1.00 0.00 N ATOM 506 CA CYS A 360 -3.532 -1.238 3.131 1.00 0.00 C ATOM 507 C CYS A 360 -3.553 -2.559 3.912 1.00 0.00 C ATOM 508 O CYS A 360 -4.389 -2.813 4.693 1.00 0.00 O ATOM 509 CB CYS A 360 -4.724 -1.322 2.068 1.00 0.00 C ATOM 510 SG CYS A 360 -6.365 -1.464 2.926 1.00 0.00 S ATOM 0 H CYS A 360 -1.949 -0.999 1.663 1.00 0.00 H new ATOM 0 HA CYS A 360 -3.751 -0.331 3.695 1.00 0.00 H new ATOM 0 HB2 CYS A 360 -4.715 -0.435 1.435 1.00 0.00 H new ATOM 0 HB3 CYS A 360 -4.575 -2.182 1.415 1.00 0.00 H new ATOM 515 N ALA A 361 -2.643 -3.390 3.589 1.00 0.00 N ATOM 516 CA ALA A 361 -2.592 -4.832 3.987 1.00 0.00 C ATOM 517 C ALA A 361 -3.918 -5.690 3.665 1.00 0.00 C ATOM 518 O ALA A 361 -3.865 -6.896 3.576 1.00 0.00 O ATOM 519 CB ALA A 361 -2.242 -4.916 5.454 1.00 0.00 C ATOM 0 H ALA A 361 -1.849 -3.118 3.010 1.00 0.00 H new ATOM 0 HA ALA A 361 -1.824 -5.293 3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 361 -2.201 -5.962 5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 361 -1.271 -4.450 5.624 1.00 0.00 H new ATOM 0 HB3 ALA A 361 -3.001 -4.397 6.039 1.00 0.00 H new ATOM 525 N VAL A 362 -5.064 -5.043 3.418 1.00 0.00 N ATOM 526 CA VAL A 362 -6.303 -5.758 3.115 1.00 0.00 C ATOM 527 C VAL A 362 -6.872 -5.383 1.756 1.00 0.00 C ATOM 528 O VAL A 362 -7.823 -5.981 1.281 1.00 0.00 O ATOM 529 CB VAL A 362 -7.393 -5.537 4.194 1.00 0.00 C ATOM 530 CG1 VAL A 362 -6.932 -5.980 5.539 1.00 0.00 C ATOM 531 CG2 VAL A 362 -7.828 -4.097 4.300 1.00 0.00 C ATOM 0 H VAL A 362 -5.156 -4.027 3.423 1.00 0.00 H new ATOM 0 HA VAL A 362 -6.026 -6.812 3.103 1.00 0.00 H new ATOM 0 HB VAL A 362 -8.241 -6.140 3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 362 -7.723 -5.809 6.269 1.00 0.00 H new ATOM 0 HG12 VAL A 362 -6.689 -7.042 5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 362 -6.046 -5.413 5.825 1.00 0.00 H new ATOM 0 HG21 VAL A 362 -8.592 -4.004 5.071 1.00 0.00 H new ATOM 0 HG22 VAL A 362 -6.971 -3.476 4.561 1.00 0.00 H new ATOM 0 HG23 VAL A 362 -8.236 -3.769 3.344 1.00 0.00 H new ATOM 541 N CYS A 363 -6.226 -4.430 1.109 1.00 0.00 N ATOM 542 CA CYS A 363 -6.678 -3.861 -0.150 1.00 0.00 C ATOM 543 C CYS A 363 -5.699 -2.920 -0.919 1.00 0.00 C ATOM 544 O CYS A 363 -5.651 -1.696 -0.718 1.00 0.00 O ATOM 545 CB CYS A 363 -8.102 -3.367 -0.115 1.00 0.00 C ATOM 546 SG CYS A 363 -8.714 -2.781 1.456 1.00 0.00 S ATOM 0 H CYS A 363 -5.356 -4.021 1.450 1.00 0.00 H new ATOM 0 HA CYS A 363 -6.668 -4.739 -0.796 1.00 0.00 H new ATOM 0 HB2 CYS A 363 -8.199 -2.559 -0.840 1.00 0.00 H new ATOM 0 HB3 CYS A 363 -8.750 -4.176 -0.451 1.00 0.00 H new ATOM 551 N GLN A 364 -4.904 -3.603 -1.736 1.00 0.00 N ATOM 552 CA GLN A 364 -3.876 -3.224 -2.794 1.00 0.00 C ATOM 553 C GLN A 364 -2.597 -2.869 -2.180 1.00 0.00 C ATOM 554 O GLN A 364 -1.497 -3.053 -2.726 1.00 0.00 O ATOM 555 CB GLN A 364 -4.405 -2.180 -3.742 1.00 0.00 C ATOM 556 CG GLN A 364 -3.843 -0.800 -3.563 1.00 0.00 C ATOM 557 CD GLN A 364 -2.389 -0.569 -3.977 1.00 0.00 C ATOM 558 OE1 GLN A 364 -1.736 0.352 -3.280 1.00 0.00 O flip ATOM 559 NE2 GLN A 364 -1.875 -1.184 -4.894 1.00 0.00 N flip ATOM 0 H GLN A 364 -4.950 -4.621 -1.688 1.00 0.00 H new ATOM 0 HA GLN A 364 -3.683 -4.100 -3.413 1.00 0.00 H new ATOM 0 HB2 GLN A 364 -4.204 -2.506 -4.763 1.00 0.00 H new ATOM 0 HB3 GLN A 364 -5.488 -2.129 -3.631 1.00 0.00 H new ATOM 0 HG2 GLN A 364 -4.467 -0.107 -4.127 1.00 0.00 H new ATOM 0 HG3 GLN A 364 -3.940 -0.532 -2.511 1.00 0.00 H new ATOM 0 HE21 GLN A 364 -2.414 -1.884 -5.404 1.00 0.00 H new ATOM 0 HE22 GLN A 364 -0.906 -0.999 -5.152 1.00 0.00 H new ATOM 568 N ASN A 365 -2.774 -2.520 -1.051 1.00 0.00 N ATOM 569 CA ASN A 365 -1.898 -2.631 -0.039 1.00 0.00 C ATOM 570 C ASN A 365 -0.571 -1.901 -0.108 1.00 0.00 C ATOM 571 O ASN A 365 0.179 -2.130 0.740 1.00 0.00 O ATOM 572 CB ASN A 365 -1.710 -4.153 0.078 1.00 0.00 C ATOM 573 CG ASN A 365 -3.014 -4.795 0.398 1.00 0.00 C ATOM 574 OD1 ASN A 365 -3.699 -4.226 1.177 1.00 0.00 O ATOM 575 ND2 ASN A 365 -3.506 -5.734 -0.381 1.00 0.00 N ATOM 0 H ASN A 365 -3.650 -2.089 -0.757 1.00 0.00 H new ATOM 0 HA ASN A 365 -2.313 -2.120 0.830 1.00 0.00 H new ATOM 0 HB2 ASN A 365 -1.316 -4.554 -0.856 1.00 0.00 H new ATOM 0 HB3 ASN A 365 -0.981 -4.381 0.856 1.00 0.00 H new ATOM 0 HD21 ASN A 365 -4.493 -5.982 -0.319 1.00 0.00 H new ATOM 0 HD22 ASN A 365 -2.900 -6.214 -1.047 1.00 0.00 H new ATOM 582 N VAL A 366 -0.300 -0.949 -1.015 1.00 0.00 N ATOM 583 CA VAL A 366 0.985 -0.202 -0.866 1.00 0.00 C ATOM 584 C VAL A 366 0.773 1.361 -0.946 1.00 0.00 C ATOM 585 O VAL A 366 0.055 1.855 -1.834 1.00 0.00 O ATOM 586 CB VAL A 366 2.091 -0.723 -1.839 1.00 0.00 C ATOM 587 CG1 VAL A 366 3.409 -0.081 -1.535 1.00 0.00 C ATOM 588 CG2 VAL A 366 2.213 -2.235 -1.762 1.00 0.00 C ATOM 0 H VAL A 366 -0.891 -0.683 -1.803 1.00 0.00 H new ATOM 0 HA VAL A 366 1.357 -0.405 0.138 1.00 0.00 H new ATOM 0 HB VAL A 366 1.798 -0.453 -2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 366 4.165 -0.458 -2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 366 3.322 1.000 -1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 366 3.701 -0.317 -0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 366 2.989 -2.573 -2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 366 2.475 -2.528 -0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 366 1.262 -2.691 -2.037 1.00 0.00 H new ATOM 598 N PHE A 367 1.349 2.114 0.000 1.00 0.00 N ATOM 599 CA PHE A 367 1.165 3.576 0.145 1.00 0.00 C ATOM 600 C PHE A 367 2.358 4.481 0.190 1.00 0.00 C ATOM 601 O PHE A 367 3.451 4.080 0.513 1.00 0.00 O ATOM 602 CB PHE A 367 0.069 3.989 1.118 1.00 0.00 C ATOM 603 CG PHE A 367 -1.171 3.528 0.612 1.00 0.00 C ATOM 604 CD1 PHE A 367 -1.751 4.221 -0.406 1.00 0.00 C ATOM 605 CD2 PHE A 367 -1.702 2.335 1.048 1.00 0.00 C ATOM 606 CE1 PHE A 367 -2.881 3.729 -0.991 1.00 0.00 C ATOM 607 CE2 PHE A 367 -2.808 1.824 0.467 1.00 0.00 C ATOM 608 CZ PHE A 367 -3.402 2.509 -0.547 1.00 0.00 C ATOM 0 H PHE A 367 1.972 1.721 0.706 1.00 0.00 H new ATOM 0 HA PHE A 367 0.809 3.774 -0.866 1.00 0.00 H new ATOM 0 HB2 PHE A 367 0.258 3.566 2.105 1.00 0.00 H new ATOM 0 HB3 PHE A 367 0.053 5.073 1.234 1.00 0.00 H new ATOM 0 HD1 PHE A 367 -1.321 5.151 -0.747 1.00 0.00 H new ATOM 0 HD2 PHE A 367 -1.230 1.804 1.861 1.00 0.00 H new ATOM 0 HE1 PHE A 367 -3.367 4.274 -1.787 1.00 0.00 H new ATOM 0 HE2 PHE A 367 -3.216 0.882 0.803 1.00 0.00 H new ATOM 0 HZ PHE A 367 -4.288 2.106 -1.016 1.00 0.00 H new ATOM 618 N CYS A 368 2.063 5.756 -0.081 1.00 0.00 N ATOM 619 CA CYS A 368 3.026 6.860 -0.090 1.00 0.00 C ATOM 620 C CYS A 368 2.875 7.550 1.154 1.00 0.00 C ATOM 621 O CYS A 368 1.800 7.460 1.766 1.00 0.00 O ATOM 622 CB CYS A 368 2.664 7.931 -1.106 1.00 0.00 C ATOM 623 SG CYS A 368 2.712 7.538 -2.796 1.00 0.00 S ATOM 0 H CYS A 368 1.115 6.057 -0.308 1.00 0.00 H new ATOM 0 HA CYS A 368 4.009 6.435 -0.294 1.00 0.00 H new ATOM 0 HB2 CYS A 368 1.655 8.275 -0.877 1.00 0.00 H new ATOM 0 HB3 CYS A 368 3.333 8.776 -0.946 1.00 0.00 H new ATOM 628 N VAL A 369 3.876 8.297 1.521 1.00 0.00 N ATOM 629 CA VAL A 369 3.765 9.047 2.705 1.00 0.00 C ATOM 630 C VAL A 369 2.707 10.121 2.476 1.00 0.00 C ATOM 631 O VAL A 369 1.929 10.439 3.352 1.00 0.00 O ATOM 632 CB VAL A 369 5.136 9.702 3.153 1.00 0.00 C ATOM 633 CG1 VAL A 369 6.249 8.684 3.232 1.00 0.00 C ATOM 634 CG2 VAL A 369 5.575 10.860 2.259 1.00 0.00 C ATOM 0 H VAL A 369 4.758 8.393 1.017 1.00 0.00 H new ATOM 0 HA VAL A 369 3.478 8.378 3.517 1.00 0.00 H new ATOM 0 HB VAL A 369 4.942 10.104 4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 369 7.171 9.176 3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 369 5.987 7.914 3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 369 6.394 8.227 2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 369 6.521 11.262 2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 369 5.701 10.503 1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 369 4.817 11.643 2.279 1.00 0.00 H new ATOM 644 N ASP A 370 2.680 10.639 1.243 1.00 0.00 N ATOM 645 CA ASP A 370 1.735 11.680 0.874 1.00 0.00 C ATOM 646 C ASP A 370 0.348 11.128 0.912 1.00 0.00 C ATOM 647 O ASP A 370 -0.562 11.685 1.464 1.00 0.00 O ATOM 648 CB ASP A 370 2.021 12.145 -0.555 1.00 0.00 C ATOM 649 CG ASP A 370 3.380 12.771 -0.743 1.00 0.00 C ATOM 650 OD1 ASP A 370 3.904 13.417 0.182 1.00 0.00 O ATOM 651 OD2 ASP A 370 3.984 12.560 -1.820 1.00 0.00 O ATOM 0 H ASP A 370 3.304 10.350 0.490 1.00 0.00 H new ATOM 0 HA ASP A 370 1.833 12.512 1.571 1.00 0.00 H new ATOM 0 HB2 ASP A 370 1.931 11.292 -1.227 1.00 0.00 H new ATOM 0 HB3 ASP A 370 1.258 12.865 -0.850 1.00 0.00 H new ATOM 656 N CYS A 371 0.268 9.935 0.376 1.00 0.00 N ATOM 657 CA CYS A 371 -0.969 9.240 0.163 1.00 0.00 C ATOM 658 C CYS A 371 -1.774 8.743 1.334 1.00 0.00 C ATOM 659 O CYS A 371 -2.901 8.362 1.165 1.00 0.00 O ATOM 660 CB CYS A 371 -0.947 8.432 -1.050 1.00 0.00 C ATOM 661 SG CYS A 371 -0.507 9.527 -2.409 1.00 0.00 S ATOM 0 H CYS A 371 1.087 9.410 0.069 1.00 0.00 H new ATOM 0 HA CYS A 371 -1.667 10.055 -0.029 1.00 0.00 H new ATOM 0 HB2 CYS A 371 -0.224 7.621 -0.959 1.00 0.00 H new ATOM 0 HB3 CYS A 371 -1.920 7.973 -1.225 1.00 0.00 H new ATOM 666 N ASP A 372 -1.160 8.660 2.483 1.00 0.00 N ATOM 667 CA ASP A 372 -1.854 8.299 3.729 1.00 0.00 C ATOM 668 C ASP A 372 -3.101 9.199 3.940 1.00 0.00 C ATOM 669 O ASP A 372 -4.133 8.740 4.436 1.00 0.00 O ATOM 670 CB ASP A 372 -0.872 8.390 4.907 1.00 0.00 C ATOM 671 CG ASP A 372 -1.458 7.964 6.230 1.00 0.00 C ATOM 672 OD1 ASP A 372 -1.417 6.766 6.554 1.00 0.00 O ATOM 673 OD2 ASP A 372 -1.935 8.835 6.993 1.00 0.00 O ATOM 0 H ASP A 372 -0.163 8.838 2.601 1.00 0.00 H new ATOM 0 HA ASP A 372 -2.211 7.271 3.664 1.00 0.00 H new ATOM 0 HB2 ASP A 372 -0.002 7.770 4.690 1.00 0.00 H new ATOM 0 HB3 ASP A 372 -0.518 9.417 4.992 1.00 0.00 H new ATOM 678 N VAL A 373 -2.985 10.463 3.517 1.00 0.00 N ATOM 679 CA VAL A 373 -4.084 11.462 3.513 1.00 0.00 C ATOM 680 C VAL A 373 -5.337 11.011 2.703 1.00 0.00 C ATOM 681 O VAL A 373 -6.449 11.496 2.961 1.00 0.00 O ATOM 682 CB VAL A 373 -3.637 12.869 2.983 1.00 0.00 C ATOM 683 CG1 VAL A 373 -3.414 12.848 1.477 1.00 0.00 C ATOM 684 CG2 VAL A 373 -4.678 13.926 3.328 1.00 0.00 C ATOM 0 H VAL A 373 -2.107 10.838 3.157 1.00 0.00 H new ATOM 0 HA VAL A 373 -4.356 11.542 4.565 1.00 0.00 H new ATOM 0 HB VAL A 373 -2.694 13.118 3.470 1.00 0.00 H new ATOM 0 HG11 VAL A 373 -3.105 13.838 1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 373 -2.637 12.124 1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 373 -4.340 12.568 0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 373 -4.351 14.895 2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 373 -5.631 13.662 2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 373 -4.799 13.978 4.410 1.00 0.00 H new ATOM 694 N PHE A 374 -5.142 10.036 1.780 1.00 0.00 N ATOM 695 CA PHE A 374 -6.068 9.688 0.660 1.00 0.00 C ATOM 696 C PHE A 374 -7.471 9.498 1.280 1.00 0.00 C ATOM 697 O PHE A 374 -8.495 9.891 0.712 1.00 0.00 O ATOM 698 CB PHE A 374 -5.638 8.278 0.064 1.00 0.00 C ATOM 699 CG PHE A 374 -6.223 7.836 -1.266 1.00 0.00 C ATOM 700 CD1 PHE A 374 -7.365 7.119 -1.354 1.00 0.00 C ATOM 701 CD2 PHE A 374 -5.525 8.097 -2.444 1.00 0.00 C ATOM 702 CE1 PHE A 374 -7.831 6.671 -2.578 1.00 0.00 C ATOM 703 CE2 PHE A 374 -5.986 7.663 -3.655 1.00 0.00 C ATOM 704 CZ PHE A 374 -7.141 6.951 -3.724 1.00 0.00 C ATOM 0 H PHE A 374 -4.309 9.447 1.791 1.00 0.00 H new ATOM 0 HA PHE A 374 -6.051 10.459 -0.110 1.00 0.00 H new ATOM 0 HB2 PHE A 374 -4.553 8.280 -0.037 1.00 0.00 H new ATOM 0 HB3 PHE A 374 -5.888 7.517 0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 374 -7.922 6.892 -0.457 1.00 0.00 H new ATOM 0 HD2 PHE A 374 -4.601 8.654 -2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 374 -8.745 6.097 -2.628 1.00 0.00 H new ATOM 0 HE2 PHE A 374 -5.433 7.886 -4.556 1.00 0.00 H new ATOM 0 HZ PHE A 374 -7.512 6.608 -4.679 1.00 0.00 H new ATOM 714 N VAL A 375 -7.467 8.886 2.443 1.00 0.00 N ATOM 715 CA VAL A 375 -8.651 8.541 3.200 1.00 0.00 C ATOM 716 C VAL A 375 -9.475 9.643 3.898 1.00 0.00 C ATOM 717 O VAL A 375 -10.702 9.502 3.964 1.00 0.00 O ATOM 718 CB VAL A 375 -8.342 7.480 4.250 1.00 0.00 C ATOM 719 CG1 VAL A 375 -7.887 6.271 3.587 1.00 0.00 C ATOM 720 CG2 VAL A 375 -7.253 7.937 5.192 1.00 0.00 C ATOM 0 H VAL A 375 -6.604 8.603 2.907 1.00 0.00 H new ATOM 0 HA VAL A 375 -9.292 8.203 2.386 1.00 0.00 H new ATOM 0 HB VAL A 375 -9.252 7.298 4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 375 -7.664 5.508 4.333 1.00 0.00 H new ATOM 0 HG12 VAL A 375 -8.667 5.907 2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 375 -6.987 6.488 3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 375 -7.057 7.157 5.928 1.00 0.00 H new ATOM 0 HG22 VAL A 375 -6.343 8.138 4.626 1.00 0.00 H new ATOM 0 HG23 VAL A 375 -7.571 8.846 5.703 1.00 0.00 H new ATOM 730 N HIS A 376 -8.849 10.712 4.390 1.00 0.00 N ATOM 731 CA HIS A 376 -9.534 11.569 5.411 1.00 0.00 C ATOM 732 C HIS A 376 -10.895 12.158 5.051 1.00 0.00 C ATOM 733 O HIS A 376 -11.818 12.088 5.858 1.00 0.00 O ATOM 734 CB HIS A 376 -8.619 12.653 5.991 1.00 0.00 C ATOM 735 CG HIS A 376 -7.435 12.124 6.737 1.00 0.00 C ATOM 736 ND1 HIS A 376 -6.153 12.036 6.359 1.00 0.00 N flip ATOM 737 CD2 HIS A 376 -7.494 11.577 8.002 1.00 0.00 C flip ATOM 738 CE1 HIS A 376 -5.408 11.432 7.370 1.00 0.00 C flip ATOM 739 NE2 HIS A 376 -6.266 11.178 8.338 1.00 0.00 N flip ATOM 0 H HIS A 376 -7.911 11.013 4.126 1.00 0.00 H new ATOM 0 HA HIS A 376 -9.765 10.828 6.176 1.00 0.00 H new ATOM 0 HB2 HIS A 376 -8.267 13.288 5.178 1.00 0.00 H new ATOM 0 HB3 HIS A 376 -9.203 13.285 6.660 1.00 0.00 H new ATOM 0 HD2 HIS A 376 -8.380 11.487 8.614 1.00 0.00 H new ATOM 0 HE1 HIS A 376 -4.350 11.217 7.362 1.00 0.00 H new ATOM 0 HE2 HIS A 376 -6.024 10.736 9.225 1.00 0.00 H new ATOM 747 N ASP A 377 -11.053 12.702 3.878 1.00 0.00 N ATOM 748 CA ASP A 377 -12.356 13.252 3.530 1.00 0.00 C ATOM 749 C ASP A 377 -13.213 12.283 2.743 1.00 0.00 C ATOM 750 O ASP A 377 -14.204 11.748 3.230 1.00 0.00 O ATOM 751 CB ASP A 377 -12.260 14.617 2.828 1.00 0.00 C ATOM 752 CG ASP A 377 -13.633 15.223 2.574 1.00 0.00 C ATOM 753 OD1 ASP A 377 -14.236 15.787 3.504 1.00 0.00 O ATOM 754 OD2 ASP A 377 -14.157 15.104 1.453 1.00 0.00 O ATOM 0 H ASP A 377 -10.332 12.782 3.161 1.00 0.00 H new ATOM 0 HA ASP A 377 -12.861 13.420 4.481 1.00 0.00 H new ATOM 0 HB2 ASP A 377 -11.670 15.299 3.440 1.00 0.00 H new ATOM 0 HB3 ASP A 377 -11.733 14.502 1.881 1.00 0.00 H new ATOM 759 N SER A 378 -12.784 12.074 1.540 1.00 0.00 N ATOM 760 CA SER A 378 -13.450 11.323 0.504 1.00 0.00 C ATOM 761 C SER A 378 -13.719 9.850 0.839 1.00 0.00 C ATOM 762 O SER A 378 -14.719 9.271 0.398 1.00 0.00 O ATOM 763 CB SER A 378 -12.575 11.404 -0.769 1.00 0.00 C ATOM 764 OG SER A 378 -13.190 10.803 -1.900 1.00 0.00 O ATOM 0 H SER A 378 -11.890 12.450 1.224 1.00 0.00 H new ATOM 0 HA SER A 378 -14.435 11.770 0.373 1.00 0.00 H new ATOM 0 HB2 SER A 378 -12.360 12.449 -0.991 1.00 0.00 H new ATOM 0 HB3 SER A 378 -11.619 10.916 -0.579 1.00 0.00 H new ATOM 0 HG SER A 378 -12.597 10.883 -2.676 1.00 0.00 H new ATOM 770 N LEU A 379 -12.858 9.259 1.599 1.00 0.00 N ATOM 771 CA LEU A 379 -12.729 7.843 1.510 1.00 0.00 C ATOM 772 C LEU A 379 -13.219 7.029 2.728 1.00 0.00 C ATOM 773 O LEU A 379 -14.200 7.370 3.394 1.00 0.00 O ATOM 774 CB LEU A 379 -11.285 7.605 1.247 1.00 0.00 C ATOM 775 CG LEU A 379 -10.984 6.620 0.175 1.00 0.00 C ATOM 776 CD1 LEU A 379 -10.705 7.392 -1.094 1.00 0.00 C ATOM 777 CD2 LEU A 379 -9.815 5.725 0.563 1.00 0.00 C ATOM 0 H LEU A 379 -12.247 9.720 2.273 1.00 0.00 H new ATOM 0 HA LEU A 379 -13.389 7.484 0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 379 -10.820 8.555 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 379 -10.816 7.265 2.171 1.00 0.00 H new ATOM 0 HG LEU A 379 -11.834 5.956 0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 379 -10.480 6.695 -1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 379 -11.581 7.985 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 379 -9.853 8.054 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 379 -9.618 5.015 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 379 -8.929 6.337 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 379 -10.060 5.182 1.476 1.00 0.00 H new ATOM 789 N HIS A 380 -12.464 5.963 2.997 1.00 0.00 N ATOM 790 CA HIS A 380 -12.758 4.893 3.928 1.00 0.00 C ATOM 791 C HIS A 380 -11.692 5.000 4.969 1.00 0.00 C ATOM 792 O HIS A 380 -10.900 5.939 4.945 1.00 0.00 O ATOM 793 CB HIS A 380 -12.407 3.531 3.330 1.00 0.00 C ATOM 794 CG HIS A 380 -12.806 3.238 1.964 1.00 0.00 C ATOM 795 ND1 HIS A 380 -14.078 3.057 1.514 1.00 0.00 N ATOM 796 CD2 HIS A 380 -11.994 3.071 0.922 1.00 0.00 C ATOM 797 CE1 HIS A 380 -14.007 2.785 0.217 1.00 0.00 C ATOM 798 NE2 HIS A 380 -12.739 2.780 -0.197 1.00 0.00 N ATOM 0 H HIS A 380 -11.567 5.823 2.531 1.00 0.00 H new ATOM 0 HA HIS A 380 -13.801 4.967 4.235 1.00 0.00 H new ATOM 0 HB2 HIS A 380 -11.325 3.415 3.389 1.00 0.00 H new ATOM 0 HB3 HIS A 380 -12.845 2.767 3.972 1.00 0.00 H new ATOM 0 HD1 HIS A 380 -14.930 3.119 2.072 1.00 0.00 H new ATOM 0 HD2 HIS A 380 -10.917 3.152 0.951 1.00 0.00 H new ATOM 0 HE1 HIS A 380 -14.860 2.594 -0.417 1.00 0.00 H new ATOM 806 N SER A 381 -11.690 4.075 5.891 1.00 0.00 N ATOM 807 CA SER A 381 -10.613 3.954 6.827 1.00 0.00 C ATOM 808 C SER A 381 -9.254 3.746 6.070 1.00 0.00 C ATOM 809 O SER A 381 -8.204 4.234 6.516 1.00 0.00 O ATOM 810 CB SER A 381 -10.911 2.802 7.813 1.00 0.00 C ATOM 811 OG SER A 381 -9.937 2.687 8.845 1.00 0.00 O ATOM 0 H SER A 381 -12.434 3.388 6.012 1.00 0.00 H new ATOM 0 HA SER A 381 -10.521 4.874 7.404 1.00 0.00 H new ATOM 0 HB2 SER A 381 -11.891 2.960 8.262 1.00 0.00 H new ATOM 0 HB3 SER A 381 -10.961 1.863 7.262 1.00 0.00 H new ATOM 0 HG SER A 381 -10.176 1.945 9.439 1.00 0.00 H new ATOM 817 N CYS A 382 -9.267 3.025 4.931 1.00 0.00 N ATOM 818 CA CYS A 382 -8.041 2.889 4.139 1.00 0.00 C ATOM 819 C CYS A 382 -8.288 2.964 2.695 1.00 0.00 C ATOM 820 O CYS A 382 -9.323 2.508 2.195 1.00 0.00 O ATOM 821 CB CYS A 382 -7.417 1.573 4.371 1.00 0.00 C ATOM 822 SG CYS A 382 -8.543 0.260 3.927 1.00 0.00 S ATOM 0 H CYS A 382 -10.084 2.546 4.554 1.00 0.00 H new ATOM 0 HA CYS A 382 -7.401 3.713 4.455 1.00 0.00 H new ATOM 0 HB2 CYS A 382 -6.502 1.489 3.784 1.00 0.00 H new ATOM 0 HB3 CYS A 382 -7.134 1.478 5.419 1.00 0.00 H new ATOM 827 N PRO A 383 -7.290 3.405 1.957 1.00 0.00 N ATOM 828 CA PRO A 383 -7.345 3.371 0.575 1.00 0.00 C ATOM 829 C PRO A 383 -7.354 1.939 0.063 1.00 0.00 C ATOM 830 O PRO A 383 -7.069 0.908 0.824 1.00 0.00 O ATOM 831 CB PRO A 383 -6.186 4.202 0.068 1.00 0.00 C ATOM 832 CG PRO A 383 -5.320 4.470 1.232 1.00 0.00 C ATOM 833 CD PRO A 383 -5.979 3.932 2.448 1.00 0.00 C ATOM 0 HA PRO A 383 -8.273 3.798 0.195 1.00 0.00 H new ATOM 0 HB2 PRO A 383 -5.637 3.669 -0.709 1.00 0.00 H new ATOM 0 HB3 PRO A 383 -6.541 5.133 -0.374 1.00 0.00 H new ATOM 0 HG2 PRO A 383 -4.345 4.004 1.093 1.00 0.00 H new ATOM 0 HG3 PRO A 383 -5.149 5.541 1.337 1.00 0.00 H new ATOM 0 HD2 PRO A 383 -5.382 3.145 2.909 1.00 0.00 H new ATOM 0 HD3 PRO A 383 -6.119 4.708 3.201 1.00 0.00 H new ATOM 841 N GLY A 384 -7.926 1.817 -1.015 1.00 0.00 N ATOM 842 CA GLY A 384 -7.865 0.629 -1.770 1.00 0.00 C ATOM 843 C GLY A 384 -8.918 -0.335 -1.464 1.00 0.00 C ATOM 844 O GLY A 384 -8.952 -1.360 -2.083 1.00 0.00 O ATOM 0 H GLY A 384 -8.483 2.555 -1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 384 -7.918 0.883 -2.829 1.00 0.00 H new ATOM 0 HA3 GLY A 384 -6.897 0.156 -1.604 1.00 0.00 H new ATOM 848 N CYS A 385 -9.771 -0.072 -0.456 1.00 0.00 N ATOM 849 CA CYS A 385 -10.855 -1.012 -0.220 1.00 0.00 C ATOM 850 C CYS A 385 -11.811 -1.174 -1.439 1.00 0.00 C ATOM 851 O CYS A 385 -12.408 -2.206 -1.600 1.00 0.00 O ATOM 852 CB CYS A 385 -11.584 -0.609 0.996 1.00 0.00 C ATOM 853 SG CYS A 385 -10.516 -0.643 2.439 1.00 0.00 S ATOM 0 H CYS A 385 -9.730 0.734 0.167 1.00 0.00 H new ATOM 0 HA CYS A 385 -10.416 -1.999 -0.075 1.00 0.00 H new ATOM 0 HB2 CYS A 385 -11.989 0.394 0.864 1.00 0.00 H new ATOM 0 HB3 CYS A 385 -12.431 -1.276 1.152 1.00 0.00 H new ATOM 858 N ILE A 386 -12.004 -0.121 -2.238 1.00 0.00 N ATOM 859 CA ILE A 386 -12.699 -0.288 -3.527 1.00 0.00 C ATOM 860 C ILE A 386 -11.909 -1.186 -4.499 1.00 0.00 C ATOM 861 O ILE A 386 -12.468 -2.043 -5.184 1.00 0.00 O ATOM 862 CB ILE A 386 -13.005 1.087 -4.200 1.00 0.00 C ATOM 863 CG1 ILE A 386 -13.859 1.979 -3.291 1.00 0.00 C ATOM 864 CG2 ILE A 386 -13.663 0.923 -5.556 1.00 0.00 C ATOM 865 CD1 ILE A 386 -15.108 1.298 -2.750 1.00 0.00 C ATOM 0 H ILE A 386 -11.701 0.830 -2.029 1.00 0.00 H new ATOM 0 HA ILE A 386 -13.645 -0.782 -3.302 1.00 0.00 H new ATOM 0 HB ILE A 386 -12.045 1.579 -4.356 1.00 0.00 H new ATOM 0 HG12 ILE A 386 -13.249 2.315 -2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 386 -14.155 2.869 -3.847 1.00 0.00 H new ATOM 0 HG21 ILE A 386 -13.858 1.905 -5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 386 -13.002 0.362 -6.216 1.00 0.00 H new ATOM 0 HG23 ILE A 386 -14.604 0.384 -5.441 1.00 0.00 H new ATOM 0 HD11 ILE A 386 -15.657 1.995 -2.117 1.00 0.00 H new ATOM 0 HD12 ILE A 386 -15.741 0.986 -3.581 1.00 0.00 H new ATOM 0 HD13 ILE A 386 -14.821 0.424 -2.165 1.00 0.00 H new TER 877 ILE A 386 HETATM 878 ZN ZN A 1 0.832 8.366 -3.851 1.00 0.00 ZN HETATM 879 ZN ZN A 2 -8.252 -0.595 1.874 1.00 0.00 ZN