USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 392 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 360 CYS SG : rot 65:sc= -0.893! USER MOD Set 1.2: A 363 CYS SG : rot -70:sc= -3.79! USER MOD Set 1.3: A 382 CYS SG : rot -94:sc= -0.826 USER MOD Set 1.4: A 385 CYS SG : rot 46:sc= 0.0936 USER MOD Set 2.1: A 356 HIS :FLIP no HD1:sc= -0.702 F(o=-3.7!,f=-0.77) USER MOD Set 2.2: A 358 TYR OH : rot 30:sc= -0.0653 USER MOD Set 3.1: A 345 CYS SG : rot 130:sc= 2.05 USER MOD Set 3.2: A 348 CYS SG : rot 180:sc= 0 USER MOD Set 3.3: A 368 CYS SG : rot 95:sc= -2.62! USER MOD Set 3.4: A 371 CYS SG : rot 169:sc= 0.263 USER MOD Single : A 332 GLN :FLIP amide:sc= -1.28 F(o=-3.7!,f=-1.3) USER MOD Single : A 339 TYR OH : rot 180:sc= 0 USER MOD Single : A 340 ASN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 346 TYR OH : rot 30:sc= -3.67! USER MOD Single : A 349 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 353 LYS NZ :NH3+ -173:sc= 1.28 (180deg=1.19) USER MOD Single : A 355 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 364 GLN : amide:sc= -6.94! C(o=-6.9!,f=-12!) USER MOD Single : A 365 ASN : amide:sc= -0.967 X(o=-0.97,f=-0.5) USER MOD Single : A 376 HIS :FLIP no HD1:sc= -0.451 F(o=-1.7,f=-0.45) USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 380 HIS :FLIP no HE2:sc= 1.05 F(o=-3.8!,f=1) USER MOD Single : A 381 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N PHE A 331 -1.759 -3.128 8.641 1.00 0.00 N ATOM 43 CA PHE A 331 -1.084 -1.871 8.418 1.00 0.00 C ATOM 44 C PHE A 331 0.281 -1.810 8.912 1.00 0.00 C ATOM 45 O PHE A 331 0.555 -2.168 10.058 1.00 0.00 O ATOM 46 CB PHE A 331 -1.872 -0.646 8.779 1.00 0.00 C ATOM 47 CG PHE A 331 -2.971 -0.388 7.858 1.00 0.00 C ATOM 48 CD1 PHE A 331 -4.194 -0.986 7.968 1.00 0.00 C ATOM 49 CD2 PHE A 331 -2.732 0.465 6.814 1.00 0.00 C ATOM 50 CE1 PHE A 331 -5.160 -0.712 7.047 1.00 0.00 C ATOM 51 CE2 PHE A 331 -3.672 0.739 5.902 1.00 0.00 C ATOM 52 CZ PHE A 331 -4.885 0.167 6.010 1.00 0.00 C ATOM 0 HA PHE A 331 -1.006 -1.853 7.331 1.00 0.00 H new ATOM 0 HB2 PHE A 331 -2.269 -0.759 9.788 1.00 0.00 H new ATOM 0 HB3 PHE A 331 -1.206 0.217 8.794 1.00 0.00 H new ATOM 0 HD1 PHE A 331 -4.394 -1.671 8.779 1.00 0.00 H new ATOM 0 HD2 PHE A 331 -1.761 0.928 6.724 1.00 0.00 H new ATOM 0 HE1 PHE A 331 -6.132 -1.176 7.124 1.00 0.00 H new ATOM 0 HE2 PHE A 331 -3.459 1.414 5.086 1.00 0.00 H new ATOM 0 HZ PHE A 331 -5.651 0.394 5.283 1.00 0.00 H new ATOM 62 N GLN A 332 1.156 -1.367 8.065 1.00 0.00 N ATOM 63 CA GLN A 332 2.471 -1.082 8.450 1.00 0.00 C ATOM 64 C GLN A 332 2.937 0.193 7.927 1.00 0.00 C ATOM 65 O GLN A 332 2.513 0.644 6.813 1.00 0.00 O ATOM 66 CB GLN A 332 3.458 -2.204 8.185 1.00 0.00 C ATOM 67 CG GLN A 332 3.222 -3.410 9.042 1.00 0.00 C ATOM 68 CD GLN A 332 4.228 -4.522 8.816 1.00 0.00 C ATOM 69 OE1 GLN A 332 4.709 -4.661 7.603 1.00 0.00 O flip ATOM 70 NE2 GLN A 332 4.512 -5.299 9.711 1.00 0.00 N flip ATOM 0 H GLN A 332 0.959 -1.196 7.079 1.00 0.00 H new ATOM 0 HA GLN A 332 2.429 -0.993 9.536 1.00 0.00 H new ATOM 0 HB2 GLN A 332 3.396 -2.494 7.136 1.00 0.00 H new ATOM 0 HB3 GLN A 332 4.470 -1.837 8.355 1.00 0.00 H new ATOM 0 HG2 GLN A 332 3.252 -3.112 10.090 1.00 0.00 H new ATOM 0 HG3 GLN A 332 2.220 -3.793 8.848 1.00 0.00 H new ATOM 0 HE21 GLN A 332 4.123 -5.166 10.644 1.00 0.00 H new ATOM 0 HE22 GLN A 332 5.139 -6.082 9.527 1.00 0.00 H new ATOM 79 N GLU A 333 3.820 0.761 8.681 1.00 0.00 N ATOM 80 CA GLU A 333 4.526 1.897 8.295 1.00 0.00 C ATOM 81 C GLU A 333 5.836 1.209 8.008 1.00 0.00 C ATOM 82 O GLU A 333 6.339 0.484 8.863 1.00 0.00 O ATOM 83 CB GLU A 333 4.733 2.737 9.541 1.00 0.00 C ATOM 84 CG GLU A 333 3.452 3.044 10.335 1.00 0.00 C ATOM 85 CD GLU A 333 2.335 3.742 9.623 1.00 0.00 C ATOM 86 OE1 GLU A 333 2.549 4.828 9.073 1.00 0.00 O ATOM 87 OE2 GLU A 333 1.217 3.198 9.610 1.00 0.00 O ATOM 0 H GLU A 333 4.064 0.421 9.611 1.00 0.00 H new ATOM 0 HA GLU A 333 4.095 2.518 7.510 1.00 0.00 H new ATOM 0 HB2 GLU A 333 5.435 2.221 10.197 1.00 0.00 H new ATOM 0 HB3 GLU A 333 5.199 3.679 9.253 1.00 0.00 H new ATOM 0 HG2 GLU A 333 3.064 2.101 10.721 1.00 0.00 H new ATOM 0 HG3 GLU A 333 3.730 3.651 11.196 1.00 0.00 H new ATOM 94 N ILE A 334 6.364 1.373 6.898 1.00 0.00 N ATOM 95 CA ILE A 334 7.553 0.661 6.543 1.00 0.00 C ATOM 96 C ILE A 334 8.646 1.630 6.284 1.00 0.00 C ATOM 97 O ILE A 334 8.485 2.480 5.408 1.00 0.00 O ATOM 98 CB ILE A 334 7.313 -0.214 5.291 1.00 0.00 C ATOM 99 CG1 ILE A 334 6.256 -1.274 5.536 1.00 0.00 C ATOM 100 CG2 ILE A 334 8.579 -0.868 4.801 1.00 0.00 C ATOM 101 CD1 ILE A 334 6.645 -2.294 6.586 1.00 0.00 C ATOM 0 H ILE A 334 6.009 2.002 6.178 1.00 0.00 H new ATOM 0 HA ILE A 334 7.833 0.006 7.368 1.00 0.00 H new ATOM 0 HB ILE A 334 6.955 0.465 4.517 1.00 0.00 H new ATOM 0 HG12 ILE A 334 5.330 -0.787 5.842 1.00 0.00 H new ATOM 0 HG13 ILE A 334 6.050 -1.791 4.599 1.00 0.00 H new ATOM 0 HG21 ILE A 334 8.359 -1.472 3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 334 9.308 -0.100 4.542 1.00 0.00 H new ATOM 0 HG23 ILE A 334 8.986 -1.506 5.586 1.00 0.00 H new ATOM 0 HD11 ILE A 334 5.839 -3.019 6.705 1.00 0.00 H new ATOM 0 HD12 ILE A 334 7.553 -2.809 6.274 1.00 0.00 H new ATOM 0 HD13 ILE A 334 6.823 -1.789 7.536 1.00 0.00 H new ATOM 113 N PRO A 335 9.739 1.624 7.063 1.00 0.00 N ATOM 114 CA PRO A 335 10.863 2.455 6.787 1.00 0.00 C ATOM 115 C PRO A 335 11.338 2.078 5.438 1.00 0.00 C ATOM 116 O PRO A 335 11.216 0.902 5.051 1.00 0.00 O ATOM 117 CB PRO A 335 11.867 2.093 7.882 1.00 0.00 C ATOM 118 CG PRO A 335 10.999 1.545 8.931 1.00 0.00 C ATOM 119 CD PRO A 335 10.026 0.748 8.172 1.00 0.00 C ATOM 0 HA PRO A 335 10.674 3.529 6.789 1.00 0.00 H new ATOM 0 HB2 PRO A 335 12.599 1.363 7.537 1.00 0.00 H new ATOM 0 HB3 PRO A 335 12.423 2.964 8.228 1.00 0.00 H new ATOM 0 HG2 PRO A 335 11.558 0.933 9.638 1.00 0.00 H new ATOM 0 HG3 PRO A 335 10.514 2.334 9.506 1.00 0.00 H new ATOM 0 HD2 PRO A 335 10.442 -0.205 7.845 1.00 0.00 H new ATOM 0 HD3 PRO A 335 9.135 0.522 8.758 1.00 0.00 H new ATOM 127 N LEU A 336 11.868 3.012 4.737 1.00 0.00 N ATOM 128 CA LEU A 336 12.225 2.831 3.356 1.00 0.00 C ATOM 129 C LEU A 336 13.179 1.614 3.256 1.00 0.00 C ATOM 130 O LEU A 336 13.101 0.805 2.341 1.00 0.00 O ATOM 131 CB LEU A 336 12.834 4.146 2.842 1.00 0.00 C ATOM 132 CG LEU A 336 13.046 4.317 1.340 1.00 0.00 C ATOM 133 CD1 LEU A 336 13.117 5.793 1.019 1.00 0.00 C ATOM 134 CD2 LEU A 336 14.304 3.626 0.864 1.00 0.00 C ATOM 0 H LEU A 336 12.074 3.942 5.101 1.00 0.00 H new ATOM 0 HA LEU A 336 11.365 2.611 2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 336 12.194 4.961 3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 336 13.800 4.276 3.329 1.00 0.00 H new ATOM 0 HG LEU A 336 12.206 3.855 0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 336 13.268 5.925 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 336 12.186 6.275 1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 336 13.948 6.244 1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 336 14.416 3.773 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 336 15.167 4.046 1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 336 14.237 2.560 1.079 1.00 0.00 H new ATOM 146 N GLU A 337 13.983 1.496 4.279 1.00 0.00 N ATOM 147 CA GLU A 337 14.972 0.455 4.487 1.00 0.00 C ATOM 148 C GLU A 337 14.369 -0.988 4.450 1.00 0.00 C ATOM 149 O GLU A 337 14.944 -1.908 3.870 1.00 0.00 O ATOM 150 CB GLU A 337 15.319 0.646 5.951 1.00 0.00 C ATOM 151 CG GLU A 337 16.469 -0.169 6.501 1.00 0.00 C ATOM 152 CD GLU A 337 16.646 0.059 7.973 1.00 0.00 C ATOM 153 OE1 GLU A 337 15.914 0.881 8.552 1.00 0.00 O ATOM 154 OE2 GLU A 337 17.496 -0.579 8.590 1.00 0.00 O ATOM 0 H GLU A 337 13.968 2.168 5.046 1.00 0.00 H new ATOM 0 HA GLU A 337 15.760 0.529 3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 337 15.546 1.700 6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 337 14.431 0.419 6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 337 16.289 -1.228 6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 337 17.388 0.095 5.977 1.00 0.00 H new ATOM 161 N GLU A 338 13.209 -1.131 5.036 1.00 0.00 N ATOM 162 CA GLU A 338 12.569 -2.424 5.290 1.00 0.00 C ATOM 163 C GLU A 338 12.105 -3.261 4.107 1.00 0.00 C ATOM 164 O GLU A 338 12.112 -4.490 4.179 1.00 0.00 O ATOM 165 CB GLU A 338 11.512 -2.328 6.379 1.00 0.00 C ATOM 166 CG GLU A 338 12.094 -1.999 7.744 1.00 0.00 C ATOM 167 CD GLU A 338 13.072 -3.043 8.243 1.00 0.00 C ATOM 168 OE1 GLU A 338 13.040 -4.197 7.760 1.00 0.00 O ATOM 169 OE2 GLU A 338 13.893 -2.723 9.132 1.00 0.00 O ATOM 0 H GLU A 338 12.657 -0.338 5.364 1.00 0.00 H new ATOM 0 HA GLU A 338 13.413 -3.017 5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 338 10.785 -1.563 6.106 1.00 0.00 H new ATOM 0 HB3 GLU A 338 10.972 -3.273 6.438 1.00 0.00 H new ATOM 0 HG2 GLU A 338 12.597 -1.033 7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 338 11.282 -1.898 8.464 1.00 0.00 H new ATOM 176 N TYR A 339 11.699 -2.634 3.044 1.00 0.00 N ATOM 177 CA TYR A 339 10.980 -3.366 2.011 1.00 0.00 C ATOM 178 C TYR A 339 11.810 -3.551 0.750 1.00 0.00 C ATOM 179 O TYR A 339 12.248 -2.581 0.133 1.00 0.00 O ATOM 180 CB TYR A 339 9.741 -2.520 1.766 1.00 0.00 C ATOM 181 CG TYR A 339 8.702 -2.970 0.788 1.00 0.00 C ATOM 182 CD1 TYR A 339 7.662 -3.795 1.178 1.00 0.00 C ATOM 183 CD2 TYR A 339 8.707 -2.490 -0.500 1.00 0.00 C ATOM 184 CE1 TYR A 339 6.669 -4.136 0.291 1.00 0.00 C ATOM 185 CE2 TYR A 339 7.714 -2.808 -1.380 1.00 0.00 C ATOM 186 CZ TYR A 339 6.702 -3.629 -0.983 1.00 0.00 C ATOM 187 OH TYR A 339 5.714 -3.927 -1.849 1.00 0.00 O ATOM 0 H TYR A 339 11.842 -1.641 2.859 1.00 0.00 H new ATOM 0 HA TYR A 339 10.736 -4.384 2.316 1.00 0.00 H new ATOM 0 HB2 TYR A 339 9.244 -2.389 2.727 1.00 0.00 H new ATOM 0 HB3 TYR A 339 10.081 -1.535 1.446 1.00 0.00 H new ATOM 0 HD1 TYR A 339 7.630 -4.174 2.189 1.00 0.00 H new ATOM 0 HD2 TYR A 339 9.514 -1.848 -0.822 1.00 0.00 H new ATOM 0 HE1 TYR A 339 5.870 -4.797 0.594 1.00 0.00 H new ATOM 0 HE2 TYR A 339 7.730 -2.412 -2.384 1.00 0.00 H new ATOM 0 HH TYR A 339 5.888 -3.487 -2.707 1.00 0.00 H new ATOM 197 N ASN A 340 12.033 -4.822 0.417 1.00 0.00 N ATOM 198 CA ASN A 340 12.772 -5.277 -0.784 1.00 0.00 C ATOM 199 C ASN A 340 12.148 -4.889 -2.114 1.00 0.00 C ATOM 200 O ASN A 340 12.859 -4.572 -3.082 1.00 0.00 O ATOM 201 CB ASN A 340 13.014 -6.805 -0.774 1.00 0.00 C ATOM 202 CG ASN A 340 13.869 -7.316 0.381 1.00 0.00 C ATOM 203 OD1 ASN A 340 14.859 -6.555 0.783 1.00 0.00 O flip ATOM 204 ND2 ASN A 340 13.646 -8.426 0.888 1.00 0.00 N flip ATOM 0 H ASN A 340 11.697 -5.597 0.988 1.00 0.00 H new ATOM 0 HA ASN A 340 13.719 -4.742 -0.711 1.00 0.00 H new ATOM 0 HB2 ASN A 340 12.049 -7.310 -0.742 1.00 0.00 H new ATOM 0 HB3 ASN A 340 13.491 -7.088 -1.712 1.00 0.00 H new ATOM 0 HD21 ASN A 340 12.868 -8.993 0.552 1.00 0.00 H new ATOM 0 HD22 ASN A 340 14.241 -8.772 1.641 1.00 0.00 H new ATOM 211 N GLY A 341 10.840 -4.894 -2.150 1.00 0.00 N ATOM 212 CA GLY A 341 10.130 -4.824 -3.408 1.00 0.00 C ATOM 213 C GLY A 341 9.930 -3.452 -3.991 1.00 0.00 C ATOM 214 O GLY A 341 10.451 -2.444 -3.484 1.00 0.00 O ATOM 0 H GLY A 341 10.242 -4.946 -1.325 1.00 0.00 H new ATOM 0 HA2 GLY A 341 10.668 -5.429 -4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 341 9.151 -5.283 -3.273 1.00 0.00 H new ATOM 218 N GLU A 342 9.194 -3.439 -5.085 1.00 0.00 N ATOM 219 CA GLU A 342 8.829 -2.246 -5.812 1.00 0.00 C ATOM 220 C GLU A 342 7.919 -1.362 -4.966 1.00 0.00 C ATOM 221 O GLU A 342 6.801 -1.737 -4.618 1.00 0.00 O ATOM 222 CB GLU A 342 8.176 -2.597 -7.158 1.00 0.00 C ATOM 223 CG GLU A 342 9.094 -3.310 -8.168 1.00 0.00 C ATOM 224 CD GLU A 342 9.328 -4.780 -7.882 1.00 0.00 C ATOM 225 OE1 GLU A 342 8.514 -5.414 -7.193 1.00 0.00 O ATOM 226 OE2 GLU A 342 10.336 -5.339 -8.356 1.00 0.00 O ATOM 0 H GLU A 342 8.822 -4.291 -5.504 1.00 0.00 H new ATOM 0 HA GLU A 342 9.738 -1.685 -6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 342 7.310 -3.231 -6.969 1.00 0.00 H new ATOM 0 HB3 GLU A 342 7.805 -1.679 -7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 342 8.662 -3.212 -9.164 1.00 0.00 H new ATOM 0 HG3 GLU A 342 10.057 -2.800 -8.187 1.00 0.00 H new ATOM 233 N ARG A 343 8.419 -0.210 -4.616 1.00 0.00 N ATOM 234 CA ARG A 343 7.753 0.664 -3.678 1.00 0.00 C ATOM 235 C ARG A 343 6.961 1.729 -4.436 1.00 0.00 C ATOM 236 O ARG A 343 7.517 2.770 -4.815 1.00 0.00 O ATOM 237 CB ARG A 343 8.858 1.366 -2.894 1.00 0.00 C ATOM 238 CG ARG A 343 9.734 0.440 -2.091 1.00 0.00 C ATOM 239 CD ARG A 343 10.806 1.194 -1.346 1.00 0.00 C ATOM 240 NE ARG A 343 11.792 0.293 -0.755 1.00 0.00 N ATOM 241 CZ ARG A 343 13.133 0.455 -0.824 1.00 0.00 C ATOM 242 NH1 ARG A 343 13.661 1.445 -1.536 1.00 0.00 N ATOM 243 NH2 ARG A 343 13.928 -0.415 -0.239 1.00 0.00 N ATOM 0 H ARG A 343 9.303 0.155 -4.972 1.00 0.00 H new ATOM 0 HA ARG A 343 7.075 0.103 -3.036 1.00 0.00 H new ATOM 0 HB2 ARG A 343 9.483 1.925 -3.591 1.00 0.00 H new ATOM 0 HB3 ARG A 343 8.404 2.092 -2.220 1.00 0.00 H new ATOM 0 HG2 ARG A 343 9.121 -0.117 -1.382 1.00 0.00 H new ATOM 0 HG3 ARG A 343 10.197 -0.290 -2.755 1.00 0.00 H new ATOM 0 HD2 ARG A 343 11.306 1.883 -2.027 1.00 0.00 H new ATOM 0 HD3 ARG A 343 10.348 1.797 -0.562 1.00 0.00 H new ATOM 0 HE ARG A 343 11.442 -0.522 -0.251 1.00 0.00 H new ATOM 0 HH11 ARG A 343 13.053 2.093 -2.038 1.00 0.00 H new ATOM 0 HH12 ARG A 343 14.674 1.557 -1.581 1.00 0.00 H new ATOM 0 HH21 ARG A 343 13.533 -1.209 0.265 1.00 0.00 H new ATOM 0 HH22 ARG A 343 14.940 -0.296 -0.289 1.00 0.00 H new ATOM 257 N PHE A 344 5.707 1.450 -4.713 1.00 0.00 N ATOM 258 CA PHE A 344 4.802 2.414 -5.355 1.00 0.00 C ATOM 259 C PHE A 344 3.493 2.556 -4.543 1.00 0.00 C ATOM 260 O PHE A 344 3.166 1.675 -3.819 1.00 0.00 O ATOM 261 CB PHE A 344 4.374 1.946 -6.642 1.00 0.00 C ATOM 262 CG PHE A 344 5.447 1.683 -7.701 1.00 0.00 C ATOM 263 CD1 PHE A 344 5.930 2.716 -8.477 1.00 0.00 C ATOM 264 CD2 PHE A 344 5.938 0.411 -7.935 1.00 0.00 C ATOM 265 CE1 PHE A 344 6.875 2.507 -9.453 1.00 0.00 C ATOM 266 CE2 PHE A 344 6.895 0.199 -8.923 1.00 0.00 C ATOM 267 CZ PHE A 344 7.357 1.248 -9.676 1.00 0.00 C ATOM 0 H PHE A 344 5.273 0.551 -4.505 1.00 0.00 H new ATOM 0 HA PHE A 344 5.358 3.349 -5.423 1.00 0.00 H new ATOM 0 HB2 PHE A 344 3.817 1.021 -6.493 1.00 0.00 H new ATOM 0 HB3 PHE A 344 3.675 2.677 -7.048 1.00 0.00 H new ATOM 0 HD1 PHE A 344 5.556 3.716 -8.313 1.00 0.00 H new ATOM 0 HD2 PHE A 344 5.577 -0.421 -7.349 1.00 0.00 H new ATOM 0 HE1 PHE A 344 7.236 3.337 -10.043 1.00 0.00 H new ATOM 0 HE2 PHE A 344 7.276 -0.796 -9.098 1.00 0.00 H new ATOM 0 HZ PHE A 344 8.099 1.080 -10.442 1.00 0.00 H new ATOM 277 N CYS A 345 2.708 3.659 -4.681 1.00 0.00 N ATOM 278 CA CYS A 345 1.438 3.625 -3.994 1.00 0.00 C ATOM 279 C CYS A 345 0.420 3.354 -5.110 1.00 0.00 C ATOM 280 O CYS A 345 0.682 3.793 -6.248 1.00 0.00 O ATOM 281 CB CYS A 345 1.030 4.968 -3.286 1.00 0.00 C ATOM 282 SG CYS A 345 0.200 6.169 -4.360 1.00 0.00 S ATOM 0 H CYS A 345 2.924 4.500 -5.216 1.00 0.00 H new ATOM 0 HA CYS A 345 1.484 2.883 -3.197 1.00 0.00 H new ATOM 0 HB2 CYS A 345 0.373 4.736 -2.448 1.00 0.00 H new ATOM 0 HB3 CYS A 345 1.925 5.430 -2.871 1.00 0.00 H new ATOM 0 HG CYS A 345 -0.890 6.584 -3.786 1.00 0.00 H new ATOM 287 N TYR A 346 -0.736 2.705 -4.854 1.00 0.00 N ATOM 288 CA TYR A 346 -1.676 2.476 -5.984 1.00 0.00 C ATOM 289 C TYR A 346 -2.245 3.788 -6.516 1.00 0.00 C ATOM 290 O TYR A 346 -2.444 3.918 -7.685 1.00 0.00 O ATOM 291 CB TYR A 346 -2.869 1.525 -5.686 1.00 0.00 C ATOM 292 CG TYR A 346 -4.027 2.121 -4.912 1.00 0.00 C ATOM 293 CD1 TYR A 346 -5.055 2.731 -5.593 1.00 0.00 C ATOM 294 CD2 TYR A 346 -4.120 2.025 -3.553 1.00 0.00 C ATOM 295 CE1 TYR A 346 -6.108 3.242 -4.945 1.00 0.00 C ATOM 296 CE2 TYR A 346 -5.162 2.496 -2.862 1.00 0.00 C ATOM 297 CZ TYR A 346 -6.182 3.135 -3.597 1.00 0.00 C ATOM 298 OH TYR A 346 -7.232 3.668 -3.002 1.00 0.00 O ATOM 0 H TYR A 346 -1.032 2.350 -3.945 1.00 0.00 H new ATOM 0 HA TYR A 346 -1.050 1.981 -6.726 1.00 0.00 H new ATOM 0 HB2 TYR A 346 -3.250 1.147 -6.635 1.00 0.00 H new ATOM 0 HB3 TYR A 346 -2.492 0.667 -5.130 1.00 0.00 H new ATOM 0 HD1 TYR A 346 -5.011 2.799 -6.670 1.00 0.00 H new ATOM 0 HD2 TYR A 346 -3.316 1.547 -3.013 1.00 0.00 H new ATOM 0 HE1 TYR A 346 -6.895 3.737 -5.494 1.00 0.00 H new ATOM 0 HE2 TYR A 346 -5.221 2.392 -1.789 1.00 0.00 H new ATOM 0 HH TYR A 346 -8.001 3.641 -3.609 1.00 0.00 H new ATOM 308 N GLY A 347 -2.506 4.770 -5.614 1.00 0.00 N ATOM 309 CA GLY A 347 -3.200 5.986 -6.052 1.00 0.00 C ATOM 310 C GLY A 347 -2.486 6.715 -7.166 1.00 0.00 C ATOM 311 O GLY A 347 -3.087 7.041 -8.184 1.00 0.00 O ATOM 0 H GLY A 347 -2.256 4.740 -4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 347 -4.204 5.723 -6.385 1.00 0.00 H new ATOM 0 HA3 GLY A 347 -3.312 6.658 -5.201 1.00 0.00 H new ATOM 315 N CYS A 348 -1.195 6.940 -6.983 1.00 0.00 N ATOM 316 CA CYS A 348 -0.355 7.505 -8.024 1.00 0.00 C ATOM 317 C CYS A 348 -0.157 6.493 -9.168 1.00 0.00 C ATOM 318 O CYS A 348 -0.131 6.852 -10.342 1.00 0.00 O ATOM 319 CB CYS A 348 1.058 7.898 -7.474 1.00 0.00 C ATOM 320 SG CYS A 348 1.188 9.194 -6.153 1.00 0.00 S ATOM 0 H CYS A 348 -0.703 6.737 -6.113 1.00 0.00 H new ATOM 0 HA CYS A 348 -0.863 8.398 -8.389 1.00 0.00 H new ATOM 0 HB2 CYS A 348 1.524 6.991 -7.090 1.00 0.00 H new ATOM 0 HB3 CYS A 348 1.658 8.231 -8.321 1.00 0.00 H new ATOM 0 HG CYS A 348 2.437 9.369 -5.838 1.00 0.00 H new ATOM 325 N GLN A 349 -0.085 5.191 -8.759 1.00 0.00 N ATOM 326 CA GLN A 349 0.492 4.106 -9.588 1.00 0.00 C ATOM 327 C GLN A 349 1.869 4.560 -9.899 1.00 0.00 C ATOM 328 O GLN A 349 2.406 4.398 -10.986 1.00 0.00 O ATOM 329 CB GLN A 349 -0.324 3.719 -10.821 1.00 0.00 C ATOM 330 CG GLN A 349 -1.688 3.208 -10.453 1.00 0.00 C ATOM 331 CD GLN A 349 -2.528 2.801 -11.612 1.00 0.00 C ATOM 332 OE1 GLN A 349 -2.380 3.295 -12.732 1.00 0.00 O ATOM 333 NE2 GLN A 349 -3.417 1.895 -11.355 1.00 0.00 N ATOM 0 H GLN A 349 -0.425 4.874 -7.851 1.00 0.00 H new ATOM 0 HA GLN A 349 0.485 3.164 -9.039 1.00 0.00 H new ATOM 0 HB2 GLN A 349 -0.425 4.585 -11.476 1.00 0.00 H new ATOM 0 HB3 GLN A 349 0.210 2.954 -11.384 1.00 0.00 H new ATOM 0 HG2 GLN A 349 -1.574 2.354 -9.785 1.00 0.00 H new ATOM 0 HG3 GLN A 349 -2.213 3.982 -9.894 1.00 0.00 H new ATOM 0 HE21 GLN A 349 -3.501 1.516 -10.412 1.00 0.00 H new ATOM 0 HE22 GLN A 349 -4.033 1.560 -12.096 1.00 0.00 H new ATOM 342 N GLY A 350 2.444 5.037 -8.851 1.00 0.00 N ATOM 343 CA GLY A 350 3.645 5.732 -8.860 1.00 0.00 C ATOM 344 C GLY A 350 4.363 5.380 -7.636 1.00 0.00 C ATOM 345 O GLY A 350 3.799 4.763 -6.794 1.00 0.00 O ATOM 0 H GLY A 350 2.049 4.936 -7.916 1.00 0.00 H new ATOM 0 HA2 GLY A 350 4.234 5.470 -9.739 1.00 0.00 H new ATOM 0 HA3 GLY A 350 3.466 6.806 -8.905 1.00 0.00 H new ATOM 349 N GLU A 351 5.417 5.982 -7.448 1.00 0.00 N ATOM 350 CA GLU A 351 6.509 5.512 -6.672 1.00 0.00 C ATOM 351 C GLU A 351 6.514 6.192 -5.340 1.00 0.00 C ATOM 352 O GLU A 351 6.083 7.334 -5.215 1.00 0.00 O ATOM 353 CB GLU A 351 7.794 5.730 -7.479 1.00 0.00 C ATOM 354 CG GLU A 351 9.060 5.153 -6.883 1.00 0.00 C ATOM 355 CD GLU A 351 10.280 5.469 -7.717 1.00 0.00 C ATOM 356 OE1 GLU A 351 10.158 6.173 -8.743 1.00 0.00 O ATOM 357 OE2 GLU A 351 11.382 4.983 -7.383 1.00 0.00 O ATOM 0 H GLU A 351 5.592 6.902 -7.852 1.00 0.00 H new ATOM 0 HA GLU A 351 6.426 4.446 -6.462 1.00 0.00 H new ATOM 0 HB2 GLU A 351 7.654 5.299 -8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 351 7.936 6.802 -7.615 1.00 0.00 H new ATOM 0 HG2 GLU A 351 9.198 5.548 -5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 351 8.956 4.072 -6.790 1.00 0.00 H new ATOM 364 N LEU A 352 6.870 5.460 -4.343 1.00 0.00 N ATOM 365 CA LEU A 352 6.821 5.944 -2.991 1.00 0.00 C ATOM 366 C LEU A 352 8.140 6.622 -2.679 1.00 0.00 C ATOM 367 O LEU A 352 8.547 7.565 -3.348 1.00 0.00 O ATOM 368 CB LEU A 352 6.699 4.735 -2.069 1.00 0.00 C ATOM 369 CG LEU A 352 5.711 3.790 -2.355 1.00 0.00 C ATOM 370 CD1 LEU A 352 5.753 2.728 -1.265 1.00 0.00 C ATOM 371 CD2 LEU A 352 4.426 4.480 -2.369 1.00 0.00 C ATOM 0 H LEU A 352 7.207 4.501 -4.434 1.00 0.00 H new ATOM 0 HA LEU A 352 5.987 6.634 -2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 352 7.660 4.222 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 352 6.527 5.102 -1.057 1.00 0.00 H new ATOM 0 HG LEU A 352 5.866 3.310 -3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 352 4.991 1.974 -1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 352 6.736 2.256 -1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 352 5.563 3.192 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 352 3.632 3.766 -2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 352 4.246 4.933 -1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 352 4.439 5.257 -3.133 1.00 0.00 H new ATOM 383 N LYS A 353 8.776 6.099 -1.619 1.00 0.00 N ATOM 384 CA LYS A 353 10.144 6.342 -1.228 1.00 0.00 C ATOM 385 C LYS A 353 10.304 7.799 -0.833 1.00 0.00 C ATOM 386 O LYS A 353 11.380 8.368 -0.935 1.00 0.00 O ATOM 387 CB LYS A 353 10.967 6.043 -2.477 1.00 0.00 C ATOM 388 CG LYS A 353 10.773 4.616 -2.986 1.00 0.00 C ATOM 389 CD LYS A 353 11.643 4.356 -4.161 1.00 0.00 C ATOM 390 CE LYS A 353 11.387 3.011 -4.800 1.00 0.00 C ATOM 391 NZ LYS A 353 12.215 2.821 -5.998 1.00 0.00 N ATOM 0 H LYS A 353 8.305 5.457 -0.982 1.00 0.00 H new ATOM 0 HA LYS A 353 10.454 5.733 -0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 353 10.692 6.745 -3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 353 12.022 6.206 -2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 353 11.004 3.906 -2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 353 9.729 4.460 -3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 353 11.487 5.140 -4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 353 12.687 4.413 -3.853 1.00 0.00 H new ATOM 0 HE2 LYS A 353 11.597 2.219 -4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 353 10.333 2.928 -5.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 353 11.933 1.944 -6.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 353 12.084 3.627 -6.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 353 13.216 2.758 -5.722 1.00 0.00 H new ATOM 405 N ASP A 354 9.216 8.360 -0.306 1.00 0.00 N ATOM 406 CA ASP A 354 9.190 9.717 0.247 1.00 0.00 C ATOM 407 C ASP A 354 10.146 9.766 1.428 1.00 0.00 C ATOM 408 O ASP A 354 10.895 10.712 1.640 1.00 0.00 O ATOM 409 CB ASP A 354 7.777 9.986 0.771 1.00 0.00 C ATOM 410 CG ASP A 354 6.680 9.944 -0.287 1.00 0.00 C ATOM 411 OD1 ASP A 354 6.890 10.411 -1.419 1.00 0.00 O ATOM 412 OD2 ASP A 354 5.594 9.371 -0.004 1.00 0.00 O ATOM 0 H ASP A 354 8.317 7.881 -0.250 1.00 0.00 H new ATOM 0 HA ASP A 354 9.472 10.449 -0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 354 7.546 9.252 1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 354 7.763 10.966 1.249 1.00 0.00 H new ATOM 417 N GLN A 355 10.080 8.669 2.165 1.00 0.00 N ATOM 418 CA GLN A 355 10.868 8.347 3.350 1.00 0.00 C ATOM 419 C GLN A 355 10.372 7.000 3.848 1.00 0.00 C ATOM 420 O GLN A 355 11.100 6.204 4.407 1.00 0.00 O ATOM 421 CB GLN A 355 10.792 9.401 4.483 1.00 0.00 C ATOM 422 CG GLN A 355 9.408 9.679 5.026 1.00 0.00 C ATOM 423 CD GLN A 355 9.434 10.667 6.162 1.00 0.00 C ATOM 424 OE1 GLN A 355 9.578 10.284 7.324 1.00 0.00 O ATOM 425 NE2 GLN A 355 9.305 11.918 5.856 1.00 0.00 N ATOM 0 H GLN A 355 9.425 7.922 1.935 1.00 0.00 H new ATOM 0 HA GLN A 355 11.920 8.330 3.066 1.00 0.00 H new ATOM 0 HB2 GLN A 355 11.426 9.070 5.306 1.00 0.00 H new ATOM 0 HB3 GLN A 355 11.212 10.336 4.113 1.00 0.00 H new ATOM 0 HG2 GLN A 355 8.775 10.064 4.226 1.00 0.00 H new ATOM 0 HG3 GLN A 355 8.959 8.746 5.367 1.00 0.00 H new ATOM 0 HE21 GLN A 355 9.188 12.195 4.881 1.00 0.00 H new ATOM 0 HE22 GLN A 355 9.321 12.627 6.589 1.00 0.00 H new ATOM 434 N HIS A 356 9.084 6.778 3.628 1.00 0.00 N ATOM 435 CA HIS A 356 8.409 5.561 4.000 1.00 0.00 C ATOM 436 C HIS A 356 7.679 4.877 2.904 1.00 0.00 C ATOM 437 O HIS A 356 7.414 5.430 1.825 1.00 0.00 O ATOM 438 CB HIS A 356 7.477 5.659 5.210 1.00 0.00 C ATOM 439 CG HIS A 356 8.091 5.748 6.536 1.00 0.00 C ATOM 440 ND1 HIS A 356 8.480 4.744 7.302 1.00 0.00 N flip ATOM 441 CD2 HIS A 356 8.305 6.903 7.253 1.00 0.00 C flip ATOM 442 CE1 HIS A 356 8.930 5.273 8.484 1.00 0.00 C flip ATOM 443 NE2 HIS A 356 8.814 6.586 8.427 1.00 0.00 N flip ATOM 0 H HIS A 356 8.474 7.459 3.176 1.00 0.00 H new ATOM 0 HA HIS A 356 9.269 4.952 4.280 1.00 0.00 H new ATOM 0 HB2 HIS A 356 6.843 6.535 5.075 1.00 0.00 H new ATOM 0 HB3 HIS A 356 6.823 4.787 5.201 1.00 0.00 H new ATOM 0 HD2 HIS A 356 8.091 7.905 6.910 1.00 0.00 H new ATOM 0 HE1 HIS A 356 9.315 4.710 9.321 1.00 0.00 H new ATOM 0 HE2 HIS A 356 9.073 7.242 9.164 1.00 0.00 H new ATOM 452 N VAL A 357 7.433 3.652 3.217 1.00 0.00 N ATOM 453 CA VAL A 357 6.743 2.667 2.491 1.00 0.00 C ATOM 454 C VAL A 357 5.512 2.265 3.311 1.00 0.00 C ATOM 455 O VAL A 357 5.592 2.189 4.516 1.00 0.00 O ATOM 456 CB VAL A 357 7.685 1.473 2.341 1.00 0.00 C ATOM 457 CG1 VAL A 357 7.009 0.368 1.666 1.00 0.00 C ATOM 458 CG2 VAL A 357 8.910 1.864 1.551 1.00 0.00 C ATOM 0 H VAL A 357 7.759 3.280 4.109 1.00 0.00 H new ATOM 0 HA VAL A 357 6.429 3.020 1.509 1.00 0.00 H new ATOM 0 HB VAL A 357 7.986 1.154 3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 357 7.695 -0.473 1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 357 6.141 0.062 2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 357 6.686 0.690 0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 357 9.570 1.002 1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 357 8.610 2.206 0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 357 9.435 2.667 2.068 1.00 0.00 H new ATOM 468 N TYR A 358 4.382 2.152 2.691 1.00 0.00 N ATOM 469 CA TYR A 358 3.139 1.798 3.388 1.00 0.00 C ATOM 470 C TYR A 358 2.451 0.655 2.829 1.00 0.00 C ATOM 471 O TYR A 358 2.577 0.410 1.648 1.00 0.00 O ATOM 472 CB TYR A 358 2.239 2.962 3.450 1.00 0.00 C ATOM 473 CG TYR A 358 2.845 4.024 4.234 1.00 0.00 C ATOM 474 CD1 TYR A 358 2.877 3.948 5.607 1.00 0.00 C ATOM 475 CD2 TYR A 358 3.467 5.056 3.614 1.00 0.00 C ATOM 476 CE1 TYR A 358 3.518 4.892 6.343 1.00 0.00 C ATOM 477 CE2 TYR A 358 4.096 6.003 4.313 1.00 0.00 C ATOM 478 CZ TYR A 358 4.131 5.929 5.696 1.00 0.00 C ATOM 479 OH TYR A 358 4.777 6.903 6.429 1.00 0.00 O ATOM 0 H TYR A 358 4.271 2.298 1.688 1.00 0.00 H new ATOM 0 HA TYR A 358 3.434 1.501 4.394 1.00 0.00 H new ATOM 0 HB2 TYR A 358 2.026 3.320 2.443 1.00 0.00 H new ATOM 0 HB3 TYR A 358 1.287 2.671 3.893 1.00 0.00 H new ATOM 0 HD1 TYR A 358 2.386 3.126 6.107 1.00 0.00 H new ATOM 0 HD2 TYR A 358 3.453 5.113 2.536 1.00 0.00 H new ATOM 0 HE1 TYR A 358 3.543 4.825 7.421 1.00 0.00 H new ATOM 0 HE2 TYR A 358 4.576 6.824 3.802 1.00 0.00 H new ATOM 0 HH TYR A 358 5.121 6.513 7.260 1.00 0.00 H new ATOM 489 N VAL A 359 1.739 -0.095 3.647 1.00 0.00 N ATOM 490 CA VAL A 359 0.943 -1.144 3.055 1.00 0.00 C ATOM 491 C VAL A 359 -0.525 -1.123 3.538 1.00 0.00 C ATOM 492 O VAL A 359 -0.776 -0.756 4.677 1.00 0.00 O ATOM 493 CB VAL A 359 1.562 -2.565 3.365 1.00 0.00 C ATOM 494 CG1 VAL A 359 3.009 -2.668 2.887 1.00 0.00 C ATOM 495 CG2 VAL A 359 1.456 -2.925 4.840 1.00 0.00 C ATOM 0 H VAL A 359 1.695 -0.007 4.662 1.00 0.00 H new ATOM 0 HA VAL A 359 0.951 -0.958 1.981 1.00 0.00 H new ATOM 0 HB VAL A 359 0.970 -3.289 2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 359 3.399 -3.659 3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 359 3.049 -2.504 1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 359 3.613 -1.914 3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 359 1.894 -3.909 5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 359 1.991 -2.184 5.435 1.00 0.00 H new ATOM 0 HG23 VAL A 359 0.407 -2.939 5.137 1.00 0.00 H new ATOM 505 N CYS A 360 -1.529 -1.463 2.658 1.00 0.00 N ATOM 506 CA CYS A 360 -2.798 -1.903 3.236 1.00 0.00 C ATOM 507 C CYS A 360 -2.928 -3.359 2.876 1.00 0.00 C ATOM 508 O CYS A 360 -3.316 -3.608 1.762 1.00 0.00 O ATOM 509 CB CYS A 360 -4.078 -1.272 2.647 1.00 0.00 C ATOM 510 SG CYS A 360 -5.551 -1.721 3.691 1.00 0.00 S ATOM 0 H CYS A 360 -1.475 -1.438 1.640 1.00 0.00 H new ATOM 0 HA CYS A 360 -2.749 -1.635 4.292 1.00 0.00 H new ATOM 0 HB2 CYS A 360 -3.971 -0.188 2.602 1.00 0.00 H new ATOM 0 HB3 CYS A 360 -4.227 -1.620 1.625 1.00 0.00 H new ATOM 0 HG CYS A 360 -5.427 -1.186 4.869 1.00 0.00 H new ATOM 515 N ALA A 361 -2.767 -4.319 3.766 1.00 0.00 N ATOM 516 CA ALA A 361 -2.851 -5.760 3.294 1.00 0.00 C ATOM 517 C ALA A 361 -4.243 -6.089 2.788 1.00 0.00 C ATOM 518 O ALA A 361 -4.464 -6.988 1.997 1.00 0.00 O ATOM 519 CB ALA A 361 -2.570 -6.682 4.441 1.00 0.00 C ATOM 0 H ALA A 361 -2.588 -4.184 4.761 1.00 0.00 H new ATOM 0 HA ALA A 361 -2.123 -5.886 2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 361 -2.631 -7.716 4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 361 -1.570 -6.486 4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 361 -3.304 -6.516 5.229 1.00 0.00 H new ATOM 525 N VAL A 362 -5.134 -5.305 3.251 1.00 0.00 N ATOM 526 CA VAL A 362 -6.511 -5.407 2.974 1.00 0.00 C ATOM 527 C VAL A 362 -6.761 -4.910 1.590 1.00 0.00 C ATOM 528 O VAL A 362 -7.518 -5.472 0.829 1.00 0.00 O ATOM 529 CB VAL A 362 -7.373 -4.659 4.013 1.00 0.00 C ATOM 530 CG1 VAL A 362 -8.844 -4.732 3.644 1.00 0.00 C ATOM 531 CG2 VAL A 362 -7.140 -5.231 5.403 1.00 0.00 C ATOM 0 H VAL A 362 -4.909 -4.527 3.871 1.00 0.00 H new ATOM 0 HA VAL A 362 -6.807 -6.454 3.042 1.00 0.00 H new ATOM 0 HB VAL A 362 -7.076 -3.610 4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 362 -9.433 -4.198 4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 362 -8.997 -4.275 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 362 -9.159 -5.775 3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 362 -7.755 -4.694 6.125 1.00 0.00 H new ATOM 0 HG22 VAL A 362 -7.410 -6.287 5.412 1.00 0.00 H new ATOM 0 HG23 VAL A 362 -6.089 -5.123 5.669 1.00 0.00 H new ATOM 541 N CYS A 363 -6.040 -3.826 1.240 1.00 0.00 N ATOM 542 CA CYS A 363 -6.319 -3.194 0.045 1.00 0.00 C ATOM 543 C CYS A 363 -5.071 -2.796 -0.696 1.00 0.00 C ATOM 544 O CYS A 363 -4.405 -1.853 -0.299 1.00 0.00 O ATOM 545 CB CYS A 363 -7.312 -2.009 0.187 1.00 0.00 C ATOM 546 SG CYS A 363 -6.706 -0.454 0.870 1.00 0.00 S ATOM 0 H CYS A 363 -5.286 -3.417 1.791 1.00 0.00 H new ATOM 0 HA CYS A 363 -6.832 -3.939 -0.563 1.00 0.00 H new ATOM 0 HB2 CYS A 363 -7.721 -1.800 -0.801 1.00 0.00 H new ATOM 0 HB3 CYS A 363 -8.141 -2.344 0.811 1.00 0.00 H new ATOM 0 HG CYS A 363 -6.450 -0.606 2.135 1.00 0.00 H new ATOM 551 N GLN A 364 -4.809 -3.530 -1.792 1.00 0.00 N ATOM 552 CA GLN A 364 -3.677 -3.456 -2.854 1.00 0.00 C ATOM 553 C GLN A 364 -2.260 -3.404 -2.320 1.00 0.00 C ATOM 554 O GLN A 364 -1.262 -3.731 -2.965 1.00 0.00 O ATOM 555 CB GLN A 364 -3.917 -2.345 -3.797 1.00 0.00 C ATOM 556 CG GLN A 364 -3.875 -0.957 -3.135 1.00 0.00 C ATOM 557 CD GLN A 364 -2.476 -0.397 -2.817 1.00 0.00 C ATOM 558 OE1 GLN A 364 -1.513 -0.696 -3.487 1.00 0.00 O ATOM 559 NE2 GLN A 364 -2.392 0.524 -1.839 1.00 0.00 N ATOM 0 H GLN A 364 -5.439 -4.298 -2.024 1.00 0.00 H new ATOM 0 HA GLN A 364 -3.734 -4.415 -3.369 1.00 0.00 H new ATOM 0 HB2 GLN A 364 -3.169 -2.384 -4.589 1.00 0.00 H new ATOM 0 HB3 GLN A 364 -4.889 -2.484 -4.270 1.00 0.00 H new ATOM 0 HG2 GLN A 364 -4.386 -0.250 -3.788 1.00 0.00 H new ATOM 0 HG3 GLN A 364 -4.445 -1.003 -2.207 1.00 0.00 H new ATOM 0 HE21 GLN A 364 -3.217 0.759 -1.288 1.00 0.00 H new ATOM 0 HE22 GLN A 364 -1.503 0.987 -1.649 1.00 0.00 H new ATOM 568 N ASN A 365 -2.297 -3.045 -1.209 1.00 0.00 N ATOM 569 CA ASN A 365 -1.430 -3.131 -0.212 1.00 0.00 C ATOM 570 C ASN A 365 -0.217 -2.197 -0.240 1.00 0.00 C ATOM 571 O ASN A 365 0.542 -2.329 0.624 1.00 0.00 O ATOM 572 CB ASN A 365 -0.996 -4.596 0.064 1.00 0.00 C ATOM 573 CG ASN A 365 -1.909 -5.786 -0.369 1.00 0.00 C ATOM 574 OD1 ASN A 365 -1.407 -6.829 -0.746 1.00 0.00 O ATOM 575 ND2 ASN A 365 -3.218 -5.648 -0.327 1.00 0.00 N ATOM 0 H ASN A 365 -3.136 -2.564 -0.884 1.00 0.00 H new ATOM 0 HA ASN A 365 -2.018 -2.752 0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 365 -0.028 -4.741 -0.416 1.00 0.00 H new ATOM 0 HB3 ASN A 365 -0.836 -4.687 1.138 1.00 0.00 H new ATOM 0 HD21 ASN A 365 -3.822 -6.419 -0.612 1.00 0.00 H new ATOM 0 HD22 ASN A 365 -3.628 -4.770 -0.009 1.00 0.00 H new ATOM 582 N VAL A 366 -0.026 -1.223 -1.160 1.00 0.00 N ATOM 583 CA VAL A 366 1.150 -0.309 -0.950 1.00 0.00 C ATOM 584 C VAL A 366 0.813 1.264 -1.024 1.00 0.00 C ATOM 585 O VAL A 366 0.065 1.725 -1.907 1.00 0.00 O ATOM 586 CB VAL A 366 2.379 -0.715 -1.818 1.00 0.00 C ATOM 587 CG1 VAL A 366 3.594 0.073 -1.431 1.00 0.00 C ATOM 588 CG2 VAL A 366 2.640 -2.182 -1.683 1.00 0.00 C ATOM 0 H VAL A 366 -0.602 -1.047 -1.983 1.00 0.00 H new ATOM 0 HA VAL A 366 1.434 -0.461 0.091 1.00 0.00 H new ATOM 0 HB VAL A 366 2.153 -0.491 -2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 366 4.437 -0.230 -2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 366 3.400 1.136 -1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 366 3.830 -0.113 -0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 366 3.501 -2.456 -2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 366 2.844 -2.421 -0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 366 1.765 -2.740 -2.018 1.00 0.00 H new ATOM 598 N PHE A 367 1.335 2.052 -0.057 1.00 0.00 N ATOM 599 CA PHE A 367 1.148 3.544 0.066 1.00 0.00 C ATOM 600 C PHE A 367 2.381 4.434 0.124 1.00 0.00 C ATOM 601 O PHE A 367 3.455 4.013 0.488 1.00 0.00 O ATOM 602 CB PHE A 367 0.145 4.001 1.114 1.00 0.00 C ATOM 603 CG PHE A 367 -1.221 3.649 0.827 1.00 0.00 C ATOM 604 CD1 PHE A 367 -1.961 4.510 0.064 1.00 0.00 C ATOM 605 CD2 PHE A 367 -1.778 2.481 1.292 1.00 0.00 C ATOM 606 CE1 PHE A 367 -3.262 4.216 -0.238 1.00 0.00 C ATOM 607 CE2 PHE A 367 -3.078 2.171 0.999 1.00 0.00 C ATOM 608 CZ PHE A 367 -3.826 3.036 0.235 1.00 0.00 C ATOM 0 H PHE A 367 1.918 1.671 0.689 1.00 0.00 H new ATOM 0 HA PHE A 367 0.726 3.703 -0.926 1.00 0.00 H new ATOM 0 HB2 PHE A 367 0.423 3.571 2.076 1.00 0.00 H new ATOM 0 HB3 PHE A 367 0.214 5.084 1.217 1.00 0.00 H new ATOM 0 HD1 PHE A 367 -1.517 5.424 -0.301 1.00 0.00 H new ATOM 0 HD2 PHE A 367 -1.186 1.805 1.891 1.00 0.00 H new ATOM 0 HE1 PHE A 367 -3.847 4.895 -0.840 1.00 0.00 H new ATOM 0 HE2 PHE A 367 -3.514 1.253 1.365 1.00 0.00 H new ATOM 0 HZ PHE A 367 -4.853 2.798 0.002 1.00 0.00 H new ATOM 618 N CYS A 368 2.131 5.731 -0.185 1.00 0.00 N ATOM 619 CA CYS A 368 3.128 6.838 -0.120 1.00 0.00 C ATOM 620 C CYS A 368 2.865 7.506 1.131 1.00 0.00 C ATOM 621 O CYS A 368 1.751 7.348 1.657 1.00 0.00 O ATOM 622 CB CYS A 368 2.884 7.948 -1.149 1.00 0.00 C ATOM 623 SG CYS A 368 3.055 7.572 -2.825 1.00 0.00 S ATOM 0 H CYS A 368 1.212 6.047 -0.493 1.00 0.00 H new ATOM 0 HA CYS A 368 4.116 6.403 -0.269 1.00 0.00 H new ATOM 0 HB2 CYS A 368 1.873 8.325 -0.996 1.00 0.00 H new ATOM 0 HB3 CYS A 368 3.567 8.766 -0.922 1.00 0.00 H new ATOM 0 HG CYS A 368 1.894 7.264 -3.321 1.00 0.00 H new ATOM 628 N VAL A 369 3.800 8.285 1.615 1.00 0.00 N ATOM 629 CA VAL A 369 3.550 8.927 2.851 1.00 0.00 C ATOM 630 C VAL A 369 2.465 9.970 2.622 1.00 0.00 C ATOM 631 O VAL A 369 1.624 10.207 3.481 1.00 0.00 O ATOM 632 CB VAL A 369 4.818 9.585 3.537 1.00 0.00 C ATOM 633 CG1 VAL A 369 5.999 8.637 3.655 1.00 0.00 C ATOM 634 CG2 VAL A 369 5.239 10.897 2.895 1.00 0.00 C ATOM 0 H VAL A 369 4.703 8.477 1.182 1.00 0.00 H new ATOM 0 HA VAL A 369 3.235 8.157 3.555 1.00 0.00 H new ATOM 0 HB VAL A 369 4.487 9.815 4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 369 6.832 9.152 4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 369 5.714 7.773 4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 369 6.300 8.305 2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 369 6.112 11.292 3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 369 5.486 10.727 1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 369 4.421 11.614 2.963 1.00 0.00 H new ATOM 644 N ASP A 370 2.510 10.587 1.437 1.00 0.00 N ATOM 645 CA ASP A 370 1.497 11.542 1.044 1.00 0.00 C ATOM 646 C ASP A 370 0.193 10.864 0.911 1.00 0.00 C ATOM 647 O ASP A 370 -0.789 11.302 1.390 1.00 0.00 O ATOM 648 CB ASP A 370 1.837 12.246 -0.281 1.00 0.00 C ATOM 649 CG ASP A 370 3.057 13.138 -0.223 1.00 0.00 C ATOM 650 OD1 ASP A 370 3.449 13.567 0.876 1.00 0.00 O ATOM 651 OD2 ASP A 370 3.622 13.466 -1.299 1.00 0.00 O ATOM 0 H ASP A 370 3.241 10.435 0.742 1.00 0.00 H new ATOM 0 HA ASP A 370 1.454 12.302 1.824 1.00 0.00 H new ATOM 0 HB2 ASP A 370 1.992 11.489 -1.050 1.00 0.00 H new ATOM 0 HB3 ASP A 370 0.980 12.844 -0.590 1.00 0.00 H new ATOM 656 N CYS A 371 0.240 9.689 0.340 1.00 0.00 N ATOM 657 CA CYS A 371 -0.962 9.000 -0.013 1.00 0.00 C ATOM 658 C CYS A 371 -1.951 8.540 1.037 1.00 0.00 C ATOM 659 O CYS A 371 -3.061 8.238 0.693 1.00 0.00 O ATOM 660 CB CYS A 371 -0.826 8.173 -1.227 1.00 0.00 C ATOM 661 SG CYS A 371 -0.368 9.260 -2.571 1.00 0.00 S ATOM 0 H CYS A 371 1.101 9.193 0.111 1.00 0.00 H new ATOM 0 HA CYS A 371 -1.586 9.854 -0.275 1.00 0.00 H new ATOM 0 HB2 CYS A 371 -0.069 7.402 -1.083 1.00 0.00 H new ATOM 0 HB3 CYS A 371 -1.763 7.662 -1.450 1.00 0.00 H new ATOM 0 HG CYS A 371 -0.007 8.551 -3.599 1.00 0.00 H new ATOM 666 N ASP A 372 -1.555 8.422 2.280 1.00 0.00 N ATOM 667 CA ASP A 372 -2.537 8.089 3.324 1.00 0.00 C ATOM 668 C ASP A 372 -3.619 9.221 3.448 1.00 0.00 C ATOM 669 O ASP A 372 -4.785 8.953 3.700 1.00 0.00 O ATOM 670 CB ASP A 372 -1.893 7.652 4.686 1.00 0.00 C ATOM 671 CG ASP A 372 -1.111 8.713 5.438 1.00 0.00 C ATOM 672 OD1 ASP A 372 -1.291 9.907 5.181 1.00 0.00 O ATOM 673 OD2 ASP A 372 -0.309 8.354 6.344 1.00 0.00 O ATOM 0 H ASP A 372 -0.595 8.544 2.604 1.00 0.00 H new ATOM 0 HA ASP A 372 -3.061 7.189 3.004 1.00 0.00 H new ATOM 0 HB2 ASP A 372 -2.688 7.288 5.338 1.00 0.00 H new ATOM 0 HB3 ASP A 372 -1.228 6.810 4.494 1.00 0.00 H new ATOM 678 N VAL A 373 -3.187 10.482 3.188 1.00 0.00 N ATOM 679 CA VAL A 373 -4.022 11.725 3.201 1.00 0.00 C ATOM 680 C VAL A 373 -5.211 11.631 2.202 1.00 0.00 C ATOM 681 O VAL A 373 -6.204 12.369 2.316 1.00 0.00 O ATOM 682 CB VAL A 373 -3.210 13.050 2.903 1.00 0.00 C ATOM 683 CG1 VAL A 373 -2.910 13.258 1.422 1.00 0.00 C ATOM 684 CG2 VAL A 373 -3.882 14.271 3.495 1.00 0.00 C ATOM 0 H VAL A 373 -2.213 10.675 2.954 1.00 0.00 H new ATOM 0 HA VAL A 373 -4.395 11.790 4.223 1.00 0.00 H new ATOM 0 HB VAL A 373 -2.248 12.917 3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 373 -2.351 14.185 1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 373 -2.318 12.422 1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 373 -3.846 13.316 0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 373 -3.291 15.158 3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 373 -4.879 14.380 3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 373 -3.960 14.155 4.576 1.00 0.00 H new ATOM 694 N PHE A 374 -5.082 10.696 1.252 1.00 0.00 N ATOM 695 CA PHE A 374 -5.884 10.547 0.008 1.00 0.00 C ATOM 696 C PHE A 374 -7.386 10.585 0.387 1.00 0.00 C ATOM 697 O PHE A 374 -8.218 11.183 -0.297 1.00 0.00 O ATOM 698 CB PHE A 374 -5.612 9.085 -0.502 1.00 0.00 C ATOM 699 CG PHE A 374 -6.112 8.690 -1.890 1.00 0.00 C ATOM 700 CD1 PHE A 374 -7.357 8.164 -2.061 1.00 0.00 C ATOM 701 CD2 PHE A 374 -5.307 8.852 -3.020 1.00 0.00 C ATOM 702 CE1 PHE A 374 -7.819 7.794 -3.315 1.00 0.00 C ATOM 703 CE2 PHE A 374 -5.759 8.485 -4.274 1.00 0.00 C ATOM 704 CZ PHE A 374 -7.017 7.956 -4.420 1.00 0.00 C ATOM 0 H PHE A 374 -4.370 9.970 1.327 1.00 0.00 H new ATOM 0 HA PHE A 374 -5.637 11.321 -0.719 1.00 0.00 H new ATOM 0 HB2 PHE A 374 -4.535 8.922 -0.479 1.00 0.00 H new ATOM 0 HB3 PHE A 374 -6.054 8.396 0.218 1.00 0.00 H new ATOM 0 HD1 PHE A 374 -7.998 8.032 -1.202 1.00 0.00 H new ATOM 0 HD2 PHE A 374 -4.317 9.270 -2.913 1.00 0.00 H new ATOM 0 HE1 PHE A 374 -8.810 7.378 -3.424 1.00 0.00 H new ATOM 0 HE2 PHE A 374 -5.123 8.614 -5.137 1.00 0.00 H new ATOM 0 HZ PHE A 374 -7.375 7.669 -5.398 1.00 0.00 H new ATOM 714 N VAL A 375 -7.658 9.942 1.476 1.00 0.00 N ATOM 715 CA VAL A 375 -8.980 9.671 2.042 1.00 0.00 C ATOM 716 C VAL A 375 -9.748 10.847 2.682 1.00 0.00 C ATOM 717 O VAL A 375 -10.981 10.826 2.671 1.00 0.00 O ATOM 718 CB VAL A 375 -8.783 8.633 3.139 1.00 0.00 C ATOM 719 CG1 VAL A 375 -8.132 7.469 2.551 1.00 0.00 C ATOM 720 CG2 VAL A 375 -7.905 9.136 4.261 1.00 0.00 C ATOM 0 H VAL A 375 -6.914 9.553 2.055 1.00 0.00 H new ATOM 0 HA VAL A 375 -9.589 9.369 1.190 1.00 0.00 H new ATOM 0 HB VAL A 375 -9.763 8.398 3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 375 -7.980 6.710 3.319 1.00 0.00 H new ATOM 0 HG12 VAL A 375 -8.760 7.062 1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 375 -7.168 7.763 2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 375 -7.797 8.357 5.016 1.00 0.00 H new ATOM 0 HG22 VAL A 375 -6.923 9.396 3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 375 -8.360 10.018 4.712 1.00 0.00 H new ATOM 730 N HIS A 376 -9.045 11.855 3.200 1.00 0.00 N ATOM 731 CA HIS A 376 -9.659 12.825 4.148 1.00 0.00 C ATOM 732 C HIS A 376 -10.939 13.529 3.727 1.00 0.00 C ATOM 733 O HIS A 376 -11.814 13.753 4.567 1.00 0.00 O ATOM 734 CB HIS A 376 -8.657 13.766 4.819 1.00 0.00 C ATOM 735 CG HIS A 376 -7.654 13.042 5.671 1.00 0.00 C ATOM 736 ND1 HIS A 376 -6.338 12.854 5.484 1.00 0.00 N flip ATOM 737 CD2 HIS A 376 -7.964 12.392 6.844 1.00 0.00 C flip ATOM 738 CE1 HIS A 376 -5.822 12.093 6.526 1.00 0.00 C flip ATOM 739 NE2 HIS A 376 -6.846 11.842 7.321 1.00 0.00 N flip ATOM 0 H HIS A 376 -8.062 12.032 2.992 1.00 0.00 H new ATOM 0 HA HIS A 376 -10.022 12.138 4.913 1.00 0.00 H new ATOM 0 HB2 HIS A 376 -8.131 14.335 4.052 1.00 0.00 H new ATOM 0 HB3 HIS A 376 -9.198 14.485 5.435 1.00 0.00 H new ATOM 0 HD2 HIS A 376 -8.942 12.337 7.299 1.00 0.00 H new ATOM 0 HE1 HIS A 376 -4.799 11.774 6.658 1.00 0.00 H new ATOM 0 HE2 HIS A 376 -6.790 11.301 8.184 1.00 0.00 H new ATOM 747 N ASP A 377 -11.069 13.884 2.493 1.00 0.00 N ATOM 748 CA ASP A 377 -12.316 14.488 2.041 1.00 0.00 C ATOM 749 C ASP A 377 -12.896 13.730 0.884 1.00 0.00 C ATOM 750 O ASP A 377 -14.087 13.423 0.848 1.00 0.00 O ATOM 751 CB ASP A 377 -12.123 15.955 1.635 1.00 0.00 C ATOM 752 CG ASP A 377 -13.435 16.617 1.241 1.00 0.00 C ATOM 753 OD1 ASP A 377 -14.174 17.079 2.133 1.00 0.00 O ATOM 754 OD2 ASP A 377 -13.754 16.689 0.036 1.00 0.00 O ATOM 0 H ASP A 377 -10.351 13.777 1.776 1.00 0.00 H new ATOM 0 HA ASP A 377 -13.006 14.446 2.884 1.00 0.00 H new ATOM 0 HB2 ASP A 377 -11.675 16.504 2.463 1.00 0.00 H new ATOM 0 HB3 ASP A 377 -11.424 16.011 0.800 1.00 0.00 H new ATOM 759 N SER A 378 -12.041 13.416 -0.040 1.00 0.00 N ATOM 760 CA SER A 378 -12.406 12.833 -1.287 1.00 0.00 C ATOM 761 C SER A 378 -13.154 11.473 -1.208 1.00 0.00 C ATOM 762 O SER A 378 -14.034 11.226 -2.042 1.00 0.00 O ATOM 763 CB SER A 378 -11.182 12.785 -2.212 1.00 0.00 C ATOM 764 OG SER A 378 -11.518 12.351 -3.515 1.00 0.00 O ATOM 0 H SER A 378 -11.037 13.565 0.060 1.00 0.00 H new ATOM 0 HA SER A 378 -13.163 13.490 -1.715 1.00 0.00 H new ATOM 0 HB2 SER A 378 -10.729 13.775 -2.265 1.00 0.00 H new ATOM 0 HB3 SER A 378 -10.434 12.115 -1.789 1.00 0.00 H new ATOM 0 HG SER A 378 -10.712 12.336 -4.073 1.00 0.00 H new ATOM 770 N LEU A 379 -12.856 10.588 -0.230 1.00 0.00 N ATOM 771 CA LEU A 379 -13.474 9.257 -0.313 1.00 0.00 C ATOM 772 C LEU A 379 -13.897 8.528 0.991 1.00 0.00 C ATOM 773 O LEU A 379 -14.914 8.842 1.609 1.00 0.00 O ATOM 774 CB LEU A 379 -12.783 8.279 -1.364 1.00 0.00 C ATOM 775 CG LEU A 379 -11.225 8.147 -1.537 1.00 0.00 C ATOM 776 CD1 LEU A 379 -10.513 9.438 -1.830 1.00 0.00 C ATOM 777 CD2 LEU A 379 -10.554 7.339 -0.439 1.00 0.00 C ATOM 0 H LEU A 379 -12.240 10.755 0.566 1.00 0.00 H new ATOM 0 HA LEU A 379 -14.445 9.554 -0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 379 -13.152 7.278 -1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 379 -13.178 8.553 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 379 -11.118 7.559 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 379 -9.444 9.249 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 379 -10.897 9.863 -2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 379 -10.680 10.139 -1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 379 -9.481 7.292 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 379 -10.734 7.815 0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 379 -10.965 6.330 -0.427 1.00 0.00 H new ATOM 789 N HIS A 380 -13.103 7.579 1.348 1.00 0.00 N ATOM 790 CA HIS A 380 -13.306 6.589 2.392 1.00 0.00 C ATOM 791 C HIS A 380 -12.083 6.640 3.250 1.00 0.00 C ATOM 792 O HIS A 380 -11.064 6.966 2.735 1.00 0.00 O ATOM 793 CB HIS A 380 -13.377 5.230 1.680 1.00 0.00 C ATOM 794 CG HIS A 380 -13.526 4.010 2.528 1.00 0.00 C ATOM 795 ND1 HIS A 380 -12.577 3.145 2.905 1.00 0.00 N flip ATOM 796 CD2 HIS A 380 -14.697 3.557 3.079 1.00 0.00 C flip ATOM 797 CE1 HIS A 380 -13.138 2.147 3.686 1.00 0.00 C flip ATOM 798 NE2 HIS A 380 -14.428 2.447 3.761 1.00 0.00 N flip ATOM 0 H HIS A 380 -12.205 7.449 0.882 1.00 0.00 H new ATOM 0 HA HIS A 380 -14.202 6.756 2.990 1.00 0.00 H new ATOM 0 HB2 HIS A 380 -14.215 5.259 0.984 1.00 0.00 H new ATOM 0 HB3 HIS A 380 -12.472 5.116 1.084 1.00 0.00 H new ATOM 0 HD1 HIS A 380 -11.590 3.210 2.655 1.00 0.00 H new ATOM 0 HD2 HIS A 380 -15.667 4.020 2.977 1.00 0.00 H new ATOM 0 HE1 HIS A 380 -12.633 1.305 4.137 1.00 0.00 H new ATOM 806 N SER A 381 -12.184 6.306 4.520 1.00 0.00 N ATOM 807 CA SER A 381 -11.057 6.420 5.452 1.00 0.00 C ATOM 808 C SER A 381 -9.797 5.616 5.001 1.00 0.00 C ATOM 809 O SER A 381 -8.671 6.032 5.252 1.00 0.00 O ATOM 810 CB SER A 381 -11.520 6.004 6.834 1.00 0.00 C ATOM 811 OG SER A 381 -12.671 6.760 7.214 1.00 0.00 O ATOM 0 H SER A 381 -13.040 5.949 4.944 1.00 0.00 H new ATOM 0 HA SER A 381 -10.737 7.462 5.467 1.00 0.00 H new ATOM 0 HB2 SER A 381 -11.755 4.940 6.842 1.00 0.00 H new ATOM 0 HB3 SER A 381 -10.719 6.159 7.556 1.00 0.00 H new ATOM 0 HG SER A 381 -12.964 6.483 8.107 1.00 0.00 H new ATOM 817 N CYS A 382 -9.976 4.468 4.387 1.00 0.00 N ATOM 818 CA CYS A 382 -8.858 3.785 3.765 1.00 0.00 C ATOM 819 C CYS A 382 -9.101 3.669 2.284 1.00 0.00 C ATOM 820 O CYS A 382 -9.932 2.882 1.873 1.00 0.00 O ATOM 821 CB CYS A 382 -8.579 2.440 4.347 1.00 0.00 C ATOM 822 SG CYS A 382 -7.080 1.771 3.645 1.00 0.00 S ATOM 0 H CYS A 382 -10.873 3.990 4.304 1.00 0.00 H new ATOM 0 HA CYS A 382 -7.972 4.389 3.961 1.00 0.00 H new ATOM 0 HB2 CYS A 382 -8.481 2.516 5.430 1.00 0.00 H new ATOM 0 HB3 CYS A 382 -9.414 1.768 4.149 1.00 0.00 H new ATOM 0 HG CYS A 382 -7.376 1.015 2.629 1.00 0.00 H new ATOM 827 N PRO A 383 -8.266 4.293 1.473 1.00 0.00 N ATOM 828 CA PRO A 383 -8.596 4.570 0.071 1.00 0.00 C ATOM 829 C PRO A 383 -8.939 3.326 -0.726 1.00 0.00 C ATOM 830 O PRO A 383 -10.031 3.199 -1.294 1.00 0.00 O ATOM 831 CB PRO A 383 -7.289 5.138 -0.482 1.00 0.00 C ATOM 832 CG PRO A 383 -6.362 5.320 0.637 1.00 0.00 C ATOM 833 CD PRO A 383 -6.888 4.648 1.821 1.00 0.00 C ATOM 0 HA PRO A 383 -9.468 5.221 0.001 1.00 0.00 H new ATOM 0 HB2 PRO A 383 -6.863 4.461 -1.223 1.00 0.00 H new ATOM 0 HB3 PRO A 383 -7.470 6.088 -0.985 1.00 0.00 H new ATOM 0 HG2 PRO A 383 -5.383 4.915 0.381 1.00 0.00 H new ATOM 0 HG3 PRO A 383 -6.225 6.382 0.840 1.00 0.00 H new ATOM 0 HD2 PRO A 383 -6.302 3.762 2.066 1.00 0.00 H new ATOM 0 HD3 PRO A 383 -6.857 5.302 2.693 1.00 0.00 H new ATOM 841 N GLY A 384 -8.012 2.393 -0.688 1.00 0.00 N ATOM 842 CA GLY A 384 -8.128 1.134 -1.368 1.00 0.00 C ATOM 843 C GLY A 384 -9.301 0.337 -0.936 1.00 0.00 C ATOM 844 O GLY A 384 -9.793 -0.505 -1.660 1.00 0.00 O ATOM 0 H GLY A 384 -7.140 2.497 -0.170 1.00 0.00 H new ATOM 0 HA2 GLY A 384 -8.196 1.314 -2.441 1.00 0.00 H new ATOM 0 HA3 GLY A 384 -7.221 0.553 -1.199 1.00 0.00 H new ATOM 848 N CYS A 385 -9.687 0.530 0.316 1.00 0.00 N ATOM 849 CA CYS A 385 -10.715 -0.264 0.889 1.00 0.00 C ATOM 850 C CYS A 385 -12.059 -0.252 0.240 1.00 0.00 C ATOM 851 O CYS A 385 -12.774 -1.166 0.444 1.00 0.00 O ATOM 852 CB CYS A 385 -10.737 -0.371 2.402 1.00 0.00 C ATOM 853 SG CYS A 385 -9.411 -1.418 3.101 1.00 0.00 S ATOM 0 H CYS A 385 -9.292 1.234 0.939 1.00 0.00 H new ATOM 0 HA CYS A 385 -10.340 -1.239 0.577 1.00 0.00 H new ATOM 0 HB2 CYS A 385 -10.656 0.630 2.827 1.00 0.00 H new ATOM 0 HB3 CYS A 385 -11.702 -0.772 2.712 1.00 0.00 H new ATOM 0 HG CYS A 385 -8.280 -1.124 2.532 1.00 0.00 H new ATOM 858 N ILE A 386 -12.450 0.791 -0.470 1.00 0.00 N ATOM 859 CA ILE A 386 -13.719 0.674 -1.196 1.00 0.00 C ATOM 860 C ILE A 386 -13.631 -0.518 -2.204 1.00 0.00 C ATOM 861 O ILE A 386 -14.468 -1.425 -2.211 1.00 0.00 O ATOM 862 CB ILE A 386 -13.994 1.971 -2.010 1.00 0.00 C ATOM 863 CG1 ILE A 386 -14.073 3.179 -1.086 1.00 0.00 C ATOM 864 CG2 ILE A 386 -15.288 1.844 -2.810 1.00 0.00 C ATOM 865 CD1 ILE A 386 -14.209 4.497 -1.818 1.00 0.00 C ATOM 0 H ILE A 386 -11.952 1.676 -0.564 1.00 0.00 H new ATOM 0 HA ILE A 386 -14.519 0.512 -0.473 1.00 0.00 H new ATOM 0 HB ILE A 386 -13.166 2.113 -2.704 1.00 0.00 H new ATOM 0 HG12 ILE A 386 -14.923 3.057 -0.415 1.00 0.00 H new ATOM 0 HG13 ILE A 386 -13.178 3.209 -0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 386 -15.460 2.762 -3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 386 -15.207 1.006 -3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 386 -16.122 1.673 -2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 386 -14.259 5.311 -1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 386 -13.347 4.642 -2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 386 -15.119 4.488 -2.418 1.00 0.00 H new