USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=16 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 346 TYR OH : rot 13:sc= 1.37 USER MOD Set 1.2: A 360 CYS SG : rot -166:sc= -3.09! USER MOD Set 1.3: A 363 CYS SG : rot -100:sc= -6.04! USER MOD Set 1.4: A 382 CYS SG : rot -86:sc= -3! USER MOD Set 1.5: A 385 CYS SG : rot 18:sc= -0.36 USER MOD Set 2.1: A 356 HIS : no HD1:sc= -3.26! K(o=-1.9!,f=-6.5) USER MOD Set 2.2: A 358 TYR OH : rot 97:sc= 1.31 USER MOD Set 3.1: A 345 CYS SG : rot -172:sc= 3.28 USER MOD Set 3.2: A 348 CYS SG : rot -56:sc= 0.945 USER MOD Set 3.3: A 368 CYS SG : rot 99:sc= -9.54! USER MOD Set 3.4: A 371 CYS SG : rot 65:sc= 1.93 USER MOD Single : A 332 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 339 TYR OH : rot 150:sc= 0 USER MOD Single : A 340 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 349 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 353 LYS NZ :NH3+ -165:sc= -0.103 (180deg=-0.425) USER MOD Single : A 355 GLN : amide:sc= -0.73 X(o=-0.73,f=-0.67) USER MOD Single : A 364 GLN :FLIP amide:sc= -7.06! C(o=-9.2!,f=-7.1!) USER MOD Single : A 365 ASN : amide:sc= -0.482 X(o=-0.48,f=-0.034) USER MOD Single : A 376 HIS : no HD1:sc= -0.341 X(o=-0.34,f=0.061) USER MOD Single : A 378 SER OG : rot 34:sc= 1.28 USER MOD Single : A 380 HIS :FLIP no HE2:sc= -5.24! C(o=-6.6!,f=-5.2!) USER MOD Single : A 381 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N PHE A 331 -0.331 -4.431 8.647 1.00 0.00 N ATOM 43 CA PHE A 331 -0.635 -3.141 8.095 1.00 0.00 C ATOM 44 C PHE A 331 0.563 -2.351 8.555 1.00 0.00 C ATOM 45 O PHE A 331 0.846 -2.311 9.767 1.00 0.00 O ATOM 46 CB PHE A 331 -1.886 -2.540 8.771 1.00 0.00 C ATOM 47 CG PHE A 331 -2.441 -1.392 7.991 1.00 0.00 C ATOM 48 CD1 PHE A 331 -1.943 -0.098 8.018 1.00 0.00 C ATOM 49 CD2 PHE A 331 -3.429 -1.679 7.127 1.00 0.00 C ATOM 50 CE1 PHE A 331 -2.490 0.863 7.149 1.00 0.00 C ATOM 51 CE2 PHE A 331 -3.942 -0.771 6.285 1.00 0.00 C ATOM 52 CZ PHE A 331 -3.506 0.477 6.267 1.00 0.00 C ATOM 0 HA PHE A 331 -0.822 -3.155 7.021 1.00 0.00 H new ATOM 0 HB2 PHE A 331 -2.649 -3.311 8.875 1.00 0.00 H new ATOM 0 HB3 PHE A 331 -1.631 -2.206 9.777 1.00 0.00 H new ATOM 0 HD1 PHE A 331 -1.146 0.168 8.697 1.00 0.00 H new ATOM 0 HD2 PHE A 331 -3.826 -2.683 7.110 1.00 0.00 H new ATOM 0 HE1 PHE A 331 -2.132 1.882 7.162 1.00 0.00 H new ATOM 0 HE2 PHE A 331 -4.729 -1.065 5.606 1.00 0.00 H new ATOM 0 HZ PHE A 331 -3.930 1.192 5.578 1.00 0.00 H new ATOM 62 N GLN A 332 1.270 -1.735 7.651 1.00 0.00 N ATOM 63 CA GLN A 332 2.561 -1.210 8.018 1.00 0.00 C ATOM 64 C GLN A 332 2.925 0.133 7.577 1.00 0.00 C ATOM 65 O GLN A 332 2.348 0.712 6.653 1.00 0.00 O ATOM 66 CB GLN A 332 3.727 -2.190 7.855 1.00 0.00 C ATOM 67 CG GLN A 332 3.637 -3.371 8.776 1.00 0.00 C ATOM 68 CD GLN A 332 4.828 -4.292 8.688 1.00 0.00 C ATOM 69 OE1 GLN A 332 5.814 -4.111 9.379 1.00 0.00 O ATOM 70 NE2 GLN A 332 4.752 -5.273 7.833 1.00 0.00 N ATOM 0 H GLN A 332 0.989 -1.585 6.682 1.00 0.00 H new ATOM 0 HA GLN A 332 2.377 -1.075 9.084 1.00 0.00 H new ATOM 0 HB2 GLN A 332 3.756 -2.542 6.824 1.00 0.00 H new ATOM 0 HB3 GLN A 332 4.664 -1.664 8.039 1.00 0.00 H new ATOM 0 HG2 GLN A 332 3.537 -3.016 9.802 1.00 0.00 H new ATOM 0 HG3 GLN A 332 2.733 -3.935 8.544 1.00 0.00 H new ATOM 0 HE21 GLN A 332 3.910 -5.395 7.270 1.00 0.00 H new ATOM 0 HE22 GLN A 332 5.534 -5.919 7.727 1.00 0.00 H new ATOM 79 N GLU A 333 3.879 0.613 8.292 1.00 0.00 N ATOM 80 CA GLU A 333 4.561 1.803 8.070 1.00 0.00 C ATOM 81 C GLU A 333 5.999 1.503 8.397 1.00 0.00 C ATOM 82 O GLU A 333 6.451 1.641 9.518 1.00 0.00 O ATOM 83 CB GLU A 333 3.967 2.987 8.888 1.00 0.00 C ATOM 84 CG GLU A 333 3.818 2.789 10.410 1.00 0.00 C ATOM 85 CD GLU A 333 2.974 1.621 10.832 1.00 0.00 C ATOM 86 OE1 GLU A 333 1.810 1.551 10.440 1.00 0.00 O ATOM 87 OE2 GLU A 333 3.463 0.762 11.585 1.00 0.00 O ATOM 0 H GLU A 333 4.220 0.124 9.120 1.00 0.00 H new ATOM 0 HA GLU A 333 4.466 2.141 7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 333 4.596 3.862 8.721 1.00 0.00 H new ATOM 0 HB3 GLU A 333 2.983 3.219 8.480 1.00 0.00 H new ATOM 0 HG2 GLU A 333 4.812 2.671 10.842 1.00 0.00 H new ATOM 0 HG3 GLU A 333 3.390 3.696 10.836 1.00 0.00 H new ATOM 94 N ILE A 334 6.693 1.017 7.417 1.00 0.00 N ATOM 95 CA ILE A 334 8.048 0.624 7.608 1.00 0.00 C ATOM 96 C ILE A 334 8.955 1.535 6.844 1.00 0.00 C ATOM 97 O ILE A 334 8.538 2.145 5.878 1.00 0.00 O ATOM 98 CB ILE A 334 8.290 -0.870 7.249 1.00 0.00 C ATOM 99 CG1 ILE A 334 7.766 -1.212 5.846 1.00 0.00 C ATOM 100 CG2 ILE A 334 7.670 -1.761 8.298 1.00 0.00 C ATOM 101 CD1 ILE A 334 7.885 -2.680 5.483 1.00 0.00 C ATOM 0 H ILE A 334 6.338 0.883 6.470 1.00 0.00 H new ATOM 0 HA ILE A 334 8.278 0.715 8.670 1.00 0.00 H new ATOM 0 HB ILE A 334 9.366 -1.045 7.234 1.00 0.00 H new ATOM 0 HG12 ILE A 334 6.719 -0.915 5.778 1.00 0.00 H new ATOM 0 HG13 ILE A 334 8.313 -0.621 5.111 1.00 0.00 H new ATOM 0 HG21 ILE A 334 7.845 -2.805 8.038 1.00 0.00 H new ATOM 0 HG22 ILE A 334 8.120 -1.548 9.268 1.00 0.00 H new ATOM 0 HG23 ILE A 334 6.597 -1.574 8.347 1.00 0.00 H new ATOM 0 HD11 ILE A 334 7.494 -2.839 4.478 1.00 0.00 H new ATOM 0 HD12 ILE A 334 8.933 -2.979 5.516 1.00 0.00 H new ATOM 0 HD13 ILE A 334 7.314 -3.278 6.193 1.00 0.00 H new ATOM 113 N PRO A 335 10.168 1.706 7.298 1.00 0.00 N ATOM 114 CA PRO A 335 11.131 2.578 6.697 1.00 0.00 C ATOM 115 C PRO A 335 11.538 2.049 5.368 1.00 0.00 C ATOM 116 O PRO A 335 11.501 0.821 5.146 1.00 0.00 O ATOM 117 CB PRO A 335 12.269 2.582 7.724 1.00 0.00 C ATOM 118 CG PRO A 335 11.582 2.083 8.933 1.00 0.00 C ATOM 119 CD PRO A 335 10.791 1.003 8.393 1.00 0.00 C ATOM 0 HA PRO A 335 10.771 3.586 6.491 1.00 0.00 H new ATOM 0 HB2 PRO A 335 13.093 1.934 7.425 1.00 0.00 H new ATOM 0 HB3 PRO A 335 12.684 3.579 7.871 1.00 0.00 H new ATOM 0 HG2 PRO A 335 12.285 1.737 9.690 1.00 0.00 H new ATOM 0 HG3 PRO A 335 10.964 2.850 9.399 1.00 0.00 H new ATOM 0 HD2 PRO A 335 11.399 0.161 8.062 1.00 0.00 H new ATOM 0 HD3 PRO A 335 10.068 0.612 9.109 1.00 0.00 H new ATOM 127 N LEU A 336 11.914 2.923 4.484 1.00 0.00 N ATOM 128 CA LEU A 336 12.347 2.512 3.178 1.00 0.00 C ATOM 129 C LEU A 336 13.524 1.572 3.277 1.00 0.00 C ATOM 130 O LEU A 336 13.654 0.631 2.513 1.00 0.00 O ATOM 131 CB LEU A 336 12.763 3.707 2.376 1.00 0.00 C ATOM 132 CG LEU A 336 11.726 4.766 2.102 1.00 0.00 C ATOM 133 CD1 LEU A 336 12.401 5.845 1.349 1.00 0.00 C ATOM 134 CD2 LEU A 336 10.627 4.197 1.223 1.00 0.00 C ATOM 0 H LEU A 336 11.931 3.931 4.642 1.00 0.00 H new ATOM 0 HA LEU A 336 11.514 2.004 2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 336 13.598 4.182 2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 336 13.140 3.352 1.417 1.00 0.00 H new ATOM 0 HG LEU A 336 11.293 5.124 3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 336 11.685 6.637 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 336 13.217 6.250 1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 336 12.799 5.444 0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 336 9.881 4.967 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 336 11.054 3.860 0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 336 10.156 3.355 1.729 1.00 0.00 H new ATOM 146 N GLU A 337 14.357 1.830 4.238 1.00 0.00 N ATOM 147 CA GLU A 337 15.543 1.066 4.466 1.00 0.00 C ATOM 148 C GLU A 337 15.238 -0.409 4.808 1.00 0.00 C ATOM 149 O GLU A 337 15.943 -1.317 4.348 1.00 0.00 O ATOM 150 CB GLU A 337 16.263 1.725 5.635 1.00 0.00 C ATOM 151 CG GLU A 337 16.798 3.145 5.352 1.00 0.00 C ATOM 152 CD GLU A 337 15.741 4.262 5.331 1.00 0.00 C ATOM 153 OE1 GLU A 337 14.607 4.065 5.819 1.00 0.00 O ATOM 154 OE2 GLU A 337 16.024 5.345 4.770 1.00 0.00 O ATOM 0 H GLU A 337 14.227 2.595 4.900 1.00 0.00 H new ATOM 0 HA GLU A 337 16.149 1.052 3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 337 15.580 1.772 6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 337 17.098 1.091 5.933 1.00 0.00 H new ATOM 0 HG2 GLU A 337 17.544 3.390 6.108 1.00 0.00 H new ATOM 0 HG3 GLU A 337 17.310 3.136 4.390 1.00 0.00 H new ATOM 161 N GLU A 338 14.188 -0.639 5.586 1.00 0.00 N ATOM 162 CA GLU A 338 13.728 -1.991 5.895 1.00 0.00 C ATOM 163 C GLU A 338 13.142 -2.746 4.719 1.00 0.00 C ATOM 164 O GLU A 338 13.252 -3.971 4.625 1.00 0.00 O ATOM 165 CB GLU A 338 12.832 -2.087 7.120 1.00 0.00 C ATOM 166 CG GLU A 338 13.537 -1.716 8.408 1.00 0.00 C ATOM 167 CD GLU A 338 12.679 -1.901 9.642 1.00 0.00 C ATOM 168 OE1 GLU A 338 11.465 -2.166 9.525 1.00 0.00 O ATOM 169 OE2 GLU A 338 13.225 -1.826 10.755 1.00 0.00 O ATOM 0 H GLU A 338 13.633 0.099 6.019 1.00 0.00 H new ATOM 0 HA GLU A 338 14.656 -2.502 6.151 1.00 0.00 H new ATOM 0 HB2 GLU A 338 11.971 -1.433 6.984 1.00 0.00 H new ATOM 0 HB3 GLU A 338 12.450 -3.104 7.203 1.00 0.00 H new ATOM 0 HG2 GLU A 338 14.438 -2.322 8.507 1.00 0.00 H new ATOM 0 HG3 GLU A 338 13.857 -0.676 8.351 1.00 0.00 H new ATOM 176 N TYR A 339 12.523 -2.022 3.829 1.00 0.00 N ATOM 177 CA TYR A 339 11.731 -2.632 2.800 1.00 0.00 C ATOM 178 C TYR A 339 12.393 -2.577 1.430 1.00 0.00 C ATOM 179 O TYR A 339 12.665 -1.513 0.873 1.00 0.00 O ATOM 180 CB TYR A 339 10.396 -1.895 2.820 1.00 0.00 C ATOM 181 CG TYR A 339 9.353 -2.317 1.826 1.00 0.00 C ATOM 182 CD1 TYR A 339 8.484 -3.363 2.076 1.00 0.00 C ATOM 183 CD2 TYR A 339 9.222 -1.629 0.636 1.00 0.00 C ATOM 184 CE1 TYR A 339 7.518 -3.708 1.157 1.00 0.00 C ATOM 185 CE2 TYR A 339 8.263 -1.962 -0.270 1.00 0.00 C ATOM 186 CZ TYR A 339 7.418 -2.991 -0.015 1.00 0.00 C ATOM 187 OH TYR A 339 6.474 -3.302 -0.937 1.00 0.00 O ATOM 0 H TYR A 339 12.553 -1.003 3.796 1.00 0.00 H new ATOM 0 HA TYR A 339 11.605 -3.698 2.991 1.00 0.00 H new ATOM 0 HB2 TYR A 339 9.970 -1.999 3.818 1.00 0.00 H new ATOM 0 HB3 TYR A 339 10.596 -0.834 2.667 1.00 0.00 H new ATOM 0 HD1 TYR A 339 8.564 -3.915 3.001 1.00 0.00 H new ATOM 0 HD2 TYR A 339 9.893 -0.811 0.420 1.00 0.00 H new ATOM 0 HE1 TYR A 339 6.847 -4.531 1.353 1.00 0.00 H new ATOM 0 HE2 TYR A 339 8.175 -1.407 -1.192 1.00 0.00 H new ATOM 0 HH TYR A 339 6.214 -2.493 -1.425 1.00 0.00 H new ATOM 197 N ASN A 340 12.611 -3.759 0.905 1.00 0.00 N ATOM 198 CA ASN A 340 13.234 -3.989 -0.394 1.00 0.00 C ATOM 199 C ASN A 340 12.203 -4.179 -1.510 1.00 0.00 C ATOM 200 O ASN A 340 12.567 -4.514 -2.631 1.00 0.00 O ATOM 201 CB ASN A 340 14.162 -5.217 -0.336 1.00 0.00 C ATOM 202 CG ASN A 340 15.313 -5.075 0.653 1.00 0.00 C ATOM 203 OD1 ASN A 340 15.756 -3.969 0.976 1.00 0.00 O ATOM 204 ND2 ASN A 340 15.794 -6.186 1.159 1.00 0.00 N ATOM 0 H ASN A 340 12.353 -4.624 1.381 1.00 0.00 H new ATOM 0 HA ASN A 340 13.816 -3.097 -0.627 1.00 0.00 H new ATOM 0 HB2 ASN A 340 13.572 -6.094 -0.068 1.00 0.00 H new ATOM 0 HB3 ASN A 340 14.570 -5.399 -1.330 1.00 0.00 H new ATOM 0 HD21 ASN A 340 16.554 -6.150 1.838 1.00 0.00 H new ATOM 0 HD22 ASN A 340 15.408 -7.086 0.873 1.00 0.00 H new ATOM 211 N GLY A 341 10.932 -3.980 -1.216 1.00 0.00 N ATOM 212 CA GLY A 341 9.896 -4.380 -2.168 1.00 0.00 C ATOM 213 C GLY A 341 9.651 -3.398 -3.301 1.00 0.00 C ATOM 214 O GLY A 341 10.279 -2.338 -3.368 1.00 0.00 O ATOM 0 H GLY A 341 10.591 -3.557 -0.353 1.00 0.00 H new ATOM 0 HA2 GLY A 341 10.170 -5.344 -2.596 1.00 0.00 H new ATOM 0 HA3 GLY A 341 8.962 -4.526 -1.625 1.00 0.00 H new ATOM 218 N GLU A 342 8.712 -3.763 -4.180 1.00 0.00 N ATOM 219 CA GLU A 342 8.402 -3.007 -5.409 1.00 0.00 C ATOM 220 C GLU A 342 7.825 -1.630 -5.143 1.00 0.00 C ATOM 221 O GLU A 342 7.906 -0.746 -6.015 1.00 0.00 O ATOM 222 CB GLU A 342 7.437 -3.766 -6.264 1.00 0.00 C ATOM 223 CG GLU A 342 7.981 -5.095 -6.792 1.00 0.00 C ATOM 224 CD GLU A 342 9.289 -4.951 -7.537 1.00 0.00 C ATOM 225 OE1 GLU A 342 9.387 -4.117 -8.463 1.00 0.00 O ATOM 226 OE2 GLU A 342 10.247 -5.672 -7.213 1.00 0.00 O ATOM 0 H GLU A 342 8.138 -4.598 -4.062 1.00 0.00 H new ATOM 0 HA GLU A 342 9.356 -2.876 -5.920 1.00 0.00 H new ATOM 0 HB2 GLU A 342 6.532 -3.959 -5.688 1.00 0.00 H new ATOM 0 HB3 GLU A 342 7.149 -3.142 -7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 342 8.120 -5.781 -5.956 1.00 0.00 H new ATOM 0 HG3 GLU A 342 7.241 -5.545 -7.454 1.00 0.00 H new ATOM 233 N ARG A 343 7.234 -1.453 -3.954 1.00 0.00 N ATOM 234 CA ARG A 343 6.719 -0.166 -3.515 1.00 0.00 C ATOM 235 C ARG A 343 5.453 0.334 -4.336 1.00 0.00 C ATOM 236 O ARG A 343 4.568 -0.453 -4.638 1.00 0.00 O ATOM 237 CB ARG A 343 7.896 0.845 -3.503 1.00 0.00 C ATOM 238 CG ARG A 343 8.981 0.535 -2.485 1.00 0.00 C ATOM 239 CD ARG A 343 10.080 1.568 -2.521 1.00 0.00 C ATOM 240 NE ARG A 343 10.679 1.625 -3.869 1.00 0.00 N ATOM 241 CZ ARG A 343 11.964 1.375 -4.175 1.00 0.00 C ATOM 242 NH1 ARG A 343 12.856 1.145 -3.223 1.00 0.00 N ATOM 243 NH2 ARG A 343 12.341 1.370 -5.435 1.00 0.00 N ATOM 0 H ARG A 343 7.103 -2.203 -3.275 1.00 0.00 H new ATOM 0 HA ARG A 343 6.325 -0.267 -2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 343 8.344 0.874 -4.496 1.00 0.00 H new ATOM 0 HB3 ARG A 343 7.501 1.841 -3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 343 8.546 0.499 -1.486 1.00 0.00 H new ATOM 0 HG3 ARG A 343 9.400 -0.451 -2.686 1.00 0.00 H new ATOM 0 HD2 ARG A 343 9.680 2.545 -2.251 1.00 0.00 H new ATOM 0 HD3 ARG A 343 10.845 1.322 -1.785 1.00 0.00 H new ATOM 0 HE ARG A 343 10.061 1.878 -4.640 1.00 0.00 H new ATOM 0 HH11 ARG A 343 12.571 1.156 -2.244 1.00 0.00 H new ATOM 0 HH12 ARG A 343 13.828 0.957 -3.469 1.00 0.00 H new ATOM 0 HH21 ARG A 343 11.660 1.555 -6.172 1.00 0.00 H new ATOM 0 HH22 ARG A 343 13.314 1.181 -5.675 1.00 0.00 H new ATOM 257 N PHE A 344 5.477 1.632 -4.730 1.00 0.00 N ATOM 258 CA PHE A 344 4.348 2.471 -5.306 1.00 0.00 C ATOM 259 C PHE A 344 2.949 2.371 -4.613 1.00 0.00 C ATOM 260 O PHE A 344 2.474 1.312 -4.261 1.00 0.00 O ATOM 261 CB PHE A 344 4.070 2.122 -6.648 1.00 0.00 C ATOM 262 CG PHE A 344 5.182 2.287 -7.656 1.00 0.00 C ATOM 263 CD1 PHE A 344 5.401 3.498 -8.254 1.00 0.00 C ATOM 264 CD2 PHE A 344 5.996 1.224 -8.006 1.00 0.00 C ATOM 265 CE1 PHE A 344 6.401 3.669 -9.178 1.00 0.00 C ATOM 266 CE2 PHE A 344 7.006 1.386 -8.935 1.00 0.00 C ATOM 267 CZ PHE A 344 7.208 2.613 -9.522 1.00 0.00 C ATOM 0 H PHE A 344 6.337 2.176 -4.657 1.00 0.00 H new ATOM 0 HA PHE A 344 4.752 3.473 -5.159 1.00 0.00 H new ATOM 0 HB2 PHE A 344 3.752 1.080 -6.665 1.00 0.00 H new ATOM 0 HB3 PHE A 344 3.222 2.719 -6.982 1.00 0.00 H new ATOM 0 HD1 PHE A 344 4.773 4.337 -7.993 1.00 0.00 H new ATOM 0 HD2 PHE A 344 5.840 0.258 -7.548 1.00 0.00 H new ATOM 0 HE1 PHE A 344 6.553 4.636 -9.635 1.00 0.00 H new ATOM 0 HE2 PHE A 344 7.636 0.550 -9.200 1.00 0.00 H new ATOM 0 HZ PHE A 344 7.996 2.745 -10.249 1.00 0.00 H new ATOM 277 N CYS A 345 2.247 3.512 -4.502 1.00 0.00 N ATOM 278 CA CYS A 345 0.970 3.517 -3.863 1.00 0.00 C ATOM 279 C CYS A 345 -0.130 3.281 -4.919 1.00 0.00 C ATOM 280 O CYS A 345 -0.002 3.787 -6.012 1.00 0.00 O ATOM 281 CB CYS A 345 0.641 4.833 -3.172 1.00 0.00 C ATOM 282 SG CYS A 345 -0.341 5.989 -4.157 1.00 0.00 S ATOM 0 H CYS A 345 2.558 4.419 -4.849 1.00 0.00 H new ATOM 0 HA CYS A 345 1.009 2.730 -3.110 1.00 0.00 H new ATOM 0 HB2 CYS A 345 0.102 4.617 -2.249 1.00 0.00 H new ATOM 0 HB3 CYS A 345 1.574 5.321 -2.890 1.00 0.00 H new ATOM 0 HG CYS A 345 -0.413 7.131 -3.541 1.00 0.00 H new ATOM 287 N TYR A 346 -1.200 2.548 -4.604 1.00 0.00 N ATOM 288 CA TYR A 346 -2.277 2.284 -5.598 1.00 0.00 C ATOM 289 C TYR A 346 -3.111 3.509 -5.892 1.00 0.00 C ATOM 290 O TYR A 346 -3.526 3.733 -7.005 1.00 0.00 O ATOM 291 CB TYR A 346 -3.108 1.031 -5.227 1.00 0.00 C ATOM 292 CG TYR A 346 -3.972 1.213 -4.051 1.00 0.00 C ATOM 293 CD1 TYR A 346 -3.449 1.032 -2.806 1.00 0.00 C ATOM 294 CD2 TYR A 346 -5.293 1.575 -4.163 1.00 0.00 C ATOM 295 CE1 TYR A 346 -4.183 1.203 -1.718 1.00 0.00 C ATOM 296 CE2 TYR A 346 -6.044 1.743 -3.042 1.00 0.00 C ATOM 297 CZ TYR A 346 -5.462 1.555 -1.824 1.00 0.00 C ATOM 298 OH TYR A 346 -6.163 1.720 -0.690 1.00 0.00 O ATOM 0 H TYR A 346 -1.356 2.127 -3.688 1.00 0.00 H new ATOM 0 HA TYR A 346 -1.792 2.046 -6.545 1.00 0.00 H new ATOM 0 HB2 TYR A 346 -3.727 0.752 -6.080 1.00 0.00 H new ATOM 0 HB3 TYR A 346 -2.429 0.199 -5.041 1.00 0.00 H new ATOM 0 HD1 TYR A 346 -2.413 0.743 -2.705 1.00 0.00 H new ATOM 0 HD2 TYR A 346 -5.733 1.725 -5.138 1.00 0.00 H new ATOM 0 HE1 TYR A 346 -3.743 1.057 -0.743 1.00 0.00 H new ATOM 0 HE2 TYR A 346 -7.085 2.021 -3.116 1.00 0.00 H new ATOM 0 HH TYR A 346 -5.549 1.752 0.073 1.00 0.00 H new ATOM 308 N GLY A 347 -3.286 4.338 -4.852 1.00 0.00 N ATOM 309 CA GLY A 347 -4.109 5.538 -4.946 1.00 0.00 C ATOM 310 C GLY A 347 -3.693 6.475 -6.055 1.00 0.00 C ATOM 311 O GLY A 347 -4.519 7.127 -6.641 1.00 0.00 O ATOM 0 H GLY A 347 -2.864 4.192 -3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 347 -5.147 5.244 -5.101 1.00 0.00 H new ATOM 0 HA3 GLY A 347 -4.067 6.072 -3.997 1.00 0.00 H new ATOM 315 N CYS A 348 -2.405 6.556 -6.313 1.00 0.00 N ATOM 316 CA CYS A 348 -1.953 7.411 -7.428 1.00 0.00 C ATOM 317 C CYS A 348 -1.216 6.592 -8.486 1.00 0.00 C ATOM 318 O CYS A 348 -1.003 7.053 -9.596 1.00 0.00 O ATOM 319 CB CYS A 348 -1.094 8.623 -6.963 1.00 0.00 C ATOM 320 SG CYS A 348 0.608 8.236 -6.415 1.00 0.00 S ATOM 0 H CYS A 348 -1.669 6.070 -5.801 1.00 0.00 H new ATOM 0 HA CYS A 348 -2.855 7.828 -7.876 1.00 0.00 H new ATOM 0 HB2 CYS A 348 -1.037 9.338 -7.783 1.00 0.00 H new ATOM 0 HB3 CYS A 348 -1.614 9.119 -6.144 1.00 0.00 H new ATOM 0 HG CYS A 348 0.567 7.351 -5.464 1.00 0.00 H new ATOM 325 N GLN A 349 -0.837 5.348 -8.105 1.00 0.00 N ATOM 326 CA GLN A 349 0.011 4.445 -8.922 1.00 0.00 C ATOM 327 C GLN A 349 1.345 5.119 -9.130 1.00 0.00 C ATOM 328 O GLN A 349 1.996 5.017 -10.170 1.00 0.00 O ATOM 329 CB GLN A 349 -0.700 4.067 -10.218 1.00 0.00 C ATOM 330 CG GLN A 349 -2.008 3.336 -9.948 1.00 0.00 C ATOM 331 CD GLN A 349 -2.776 2.982 -11.188 1.00 0.00 C ATOM 332 OE1 GLN A 349 -2.671 3.644 -12.210 1.00 0.00 O ATOM 333 NE2 GLN A 349 -3.583 1.968 -11.100 1.00 0.00 N ATOM 0 H GLN A 349 -1.114 4.939 -7.213 1.00 0.00 H new ATOM 0 HA GLN A 349 0.191 3.499 -8.411 1.00 0.00 H new ATOM 0 HB2 GLN A 349 -0.899 4.967 -10.800 1.00 0.00 H new ATOM 0 HB3 GLN A 349 -0.047 3.435 -10.821 1.00 0.00 H new ATOM 0 HG2 GLN A 349 -1.794 2.423 -9.392 1.00 0.00 H new ATOM 0 HG3 GLN A 349 -2.635 3.958 -9.310 1.00 0.00 H new ATOM 0 HE21 GLN A 349 -3.644 1.439 -10.230 1.00 0.00 H new ATOM 0 HE22 GLN A 349 -4.156 1.701 -11.901 1.00 0.00 H new ATOM 342 N GLY A 350 1.786 5.681 -8.039 1.00 0.00 N ATOM 343 CA GLY A 350 3.016 6.370 -7.957 1.00 0.00 C ATOM 344 C GLY A 350 3.684 5.955 -6.696 1.00 0.00 C ATOM 345 O GLY A 350 3.014 5.553 -5.779 1.00 0.00 O ATOM 0 H GLY A 350 1.271 5.664 -7.159 1.00 0.00 H new ATOM 0 HA2 GLY A 350 3.643 6.136 -8.817 1.00 0.00 H new ATOM 0 HA3 GLY A 350 2.852 7.448 -7.966 1.00 0.00 H new ATOM 349 N GLU A 351 4.914 6.227 -6.619 1.00 0.00 N ATOM 350 CA GLU A 351 5.885 5.671 -5.698 1.00 0.00 C ATOM 351 C GLU A 351 5.567 5.895 -4.252 1.00 0.00 C ATOM 352 O GLU A 351 5.240 6.996 -3.834 1.00 0.00 O ATOM 353 CB GLU A 351 7.238 6.314 -5.980 1.00 0.00 C ATOM 354 CG GLU A 351 7.796 6.055 -7.359 1.00 0.00 C ATOM 355 CD GLU A 351 9.155 6.666 -7.562 1.00 0.00 C ATOM 356 OE1 GLU A 351 9.586 7.491 -6.725 1.00 0.00 O ATOM 357 OE2 GLU A 351 9.834 6.325 -8.550 1.00 0.00 O ATOM 0 H GLU A 351 5.340 6.908 -7.247 1.00 0.00 H new ATOM 0 HA GLU A 351 5.879 4.593 -5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 351 7.148 7.391 -5.838 1.00 0.00 H new ATOM 0 HB3 GLU A 351 7.955 5.954 -5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 351 7.858 4.979 -7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 351 7.108 6.454 -8.105 1.00 0.00 H new ATOM 364 N LEU A 352 5.770 4.838 -3.477 1.00 0.00 N ATOM 365 CA LEU A 352 5.623 4.845 -2.019 1.00 0.00 C ATOM 366 C LEU A 352 6.702 5.752 -1.410 1.00 0.00 C ATOM 367 O LEU A 352 6.518 6.445 -0.416 1.00 0.00 O ATOM 368 CB LEU A 352 5.872 3.509 -1.370 1.00 0.00 C ATOM 369 CG LEU A 352 5.168 2.272 -1.743 1.00 0.00 C ATOM 370 CD1 LEU A 352 5.579 1.193 -0.766 1.00 0.00 C ATOM 371 CD2 LEU A 352 3.734 2.442 -1.668 1.00 0.00 C ATOM 0 H LEU A 352 6.048 3.929 -3.848 1.00 0.00 H new ATOM 0 HA LEU A 352 4.596 5.164 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 352 6.935 3.304 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 352 5.696 3.650 -0.304 1.00 0.00 H new ATOM 0 HG LEU A 352 5.428 2.008 -2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 352 5.072 0.262 -1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 352 6.658 1.045 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 352 5.304 1.494 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 352 3.242 1.511 -1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 352 3.452 2.708 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 352 3.426 3.235 -2.349 1.00 0.00 H new ATOM 383 N LYS A 353 7.756 5.770 -2.167 1.00 0.00 N ATOM 384 CA LYS A 353 9.147 6.010 -1.880 1.00 0.00 C ATOM 385 C LYS A 353 9.543 7.259 -1.069 1.00 0.00 C ATOM 386 O LYS A 353 10.608 7.239 -0.527 1.00 0.00 O ATOM 387 CB LYS A 353 9.902 5.966 -3.209 1.00 0.00 C ATOM 388 CG LYS A 353 11.397 6.036 -3.091 1.00 0.00 C ATOM 389 CD LYS A 353 11.939 4.721 -2.589 1.00 0.00 C ATOM 390 CE LYS A 353 13.447 4.760 -2.457 1.00 0.00 C ATOM 391 NZ LYS A 353 14.101 5.211 -3.705 1.00 0.00 N ATOM 0 H LYS A 353 7.643 5.587 -3.164 1.00 0.00 H new ATOM 0 HA LYS A 353 9.423 5.219 -1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 353 9.636 5.046 -3.731 1.00 0.00 H new ATOM 0 HB3 LYS A 353 9.562 6.795 -3.830 1.00 0.00 H new ATOM 0 HG2 LYS A 353 11.835 6.273 -4.060 1.00 0.00 H new ATOM 0 HG3 LYS A 353 11.679 6.838 -2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 353 11.493 4.487 -1.622 1.00 0.00 H new ATOM 0 HD3 LYS A 353 11.653 3.922 -3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 353 13.722 5.429 -1.641 1.00 0.00 H new ATOM 0 HE3 LYS A 353 13.814 3.768 -2.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 353 15.116 4.986 -3.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 353 13.670 4.726 -4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 353 13.978 6.238 -3.810 1.00 0.00 H new ATOM 405 N ASP A 354 8.752 8.319 -0.997 1.00 0.00 N ATOM 406 CA ASP A 354 9.258 9.639 -0.464 1.00 0.00 C ATOM 407 C ASP A 354 10.026 9.518 0.863 1.00 0.00 C ATOM 408 O ASP A 354 11.061 10.173 1.025 1.00 0.00 O ATOM 409 CB ASP A 354 8.082 10.575 -0.162 1.00 0.00 C ATOM 410 CG ASP A 354 8.528 11.969 0.194 1.00 0.00 C ATOM 411 OD1 ASP A 354 8.807 12.750 -0.734 1.00 0.00 O ATOM 412 OD2 ASP A 354 8.565 12.324 1.391 1.00 0.00 O ATOM 0 H ASP A 354 7.774 8.325 -1.286 1.00 0.00 H new ATOM 0 HA ASP A 354 9.922 10.015 -1.243 1.00 0.00 H new ATOM 0 HB2 ASP A 354 7.425 10.618 -1.030 1.00 0.00 H new ATOM 0 HB3 ASP A 354 7.497 10.164 0.660 1.00 0.00 H new ATOM 417 N GLN A 355 9.583 8.663 1.764 1.00 0.00 N ATOM 418 CA GLN A 355 10.298 8.484 3.031 1.00 0.00 C ATOM 419 C GLN A 355 9.940 7.210 3.773 1.00 0.00 C ATOM 420 O GLN A 355 10.792 6.586 4.423 1.00 0.00 O ATOM 421 CB GLN A 355 10.171 9.719 3.934 1.00 0.00 C ATOM 422 CG GLN A 355 8.757 10.156 4.217 1.00 0.00 C ATOM 423 CD GLN A 355 8.696 11.359 5.118 1.00 0.00 C ATOM 424 OE1 GLN A 355 9.569 11.577 5.961 1.00 0.00 O ATOM 425 NE2 GLN A 355 7.720 12.192 4.893 1.00 0.00 N ATOM 0 H GLN A 355 8.748 8.087 1.655 1.00 0.00 H new ATOM 0 HA GLN A 355 11.346 8.371 2.754 1.00 0.00 H new ATOM 0 HB2 GLN A 355 10.668 9.511 4.882 1.00 0.00 H new ATOM 0 HB3 GLN A 355 10.706 10.547 3.469 1.00 0.00 H new ATOM 0 HG2 GLN A 355 8.256 10.384 3.277 1.00 0.00 H new ATOM 0 HG3 GLN A 355 8.211 9.333 4.678 1.00 0.00 H new ATOM 0 HE21 GLN A 355 7.017 11.975 4.187 1.00 0.00 H new ATOM 0 HE22 GLN A 355 7.659 13.061 5.423 1.00 0.00 H new ATOM 434 N HIS A 356 8.708 6.810 3.666 1.00 0.00 N ATOM 435 CA HIS A 356 8.196 5.775 4.495 1.00 0.00 C ATOM 436 C HIS A 356 7.414 4.814 3.596 1.00 0.00 C ATOM 437 O HIS A 356 6.940 5.216 2.545 1.00 0.00 O ATOM 438 CB HIS A 356 7.291 6.469 5.524 1.00 0.00 C ATOM 439 CG HIS A 356 7.010 5.734 6.790 1.00 0.00 C ATOM 440 ND1 HIS A 356 6.254 6.274 7.795 1.00 0.00 N ATOM 441 CD2 HIS A 356 7.465 4.574 7.261 1.00 0.00 C ATOM 442 CE1 HIS A 356 6.270 5.490 8.826 1.00 0.00 C ATOM 443 NE2 HIS A 356 6.997 4.447 8.534 1.00 0.00 N ATOM 0 H HIS A 356 8.036 7.194 3.002 1.00 0.00 H new ATOM 0 HA HIS A 356 8.964 5.202 5.015 1.00 0.00 H new ATOM 0 HB2 HIS A 356 7.745 7.426 5.783 1.00 0.00 H new ATOM 0 HB3 HIS A 356 6.338 6.688 5.042 1.00 0.00 H new ATOM 0 HD2 HIS A 356 8.088 3.867 6.733 1.00 0.00 H new ATOM 0 HE1 HIS A 356 5.768 5.669 9.765 1.00 0.00 H new ATOM 0 HE2 HIS A 356 7.185 3.663 9.158 1.00 0.00 H new ATOM 452 N VAL A 357 7.310 3.584 3.984 1.00 0.00 N ATOM 453 CA VAL A 357 6.595 2.581 3.223 1.00 0.00 C ATOM 454 C VAL A 357 5.317 2.239 3.960 1.00 0.00 C ATOM 455 O VAL A 357 5.342 2.020 5.168 1.00 0.00 O ATOM 456 CB VAL A 357 7.445 1.297 3.161 1.00 0.00 C ATOM 457 CG1 VAL A 357 6.777 0.245 2.348 1.00 0.00 C ATOM 458 CG2 VAL A 357 8.801 1.588 2.590 1.00 0.00 C ATOM 0 H VAL A 357 7.721 3.232 4.849 1.00 0.00 H new ATOM 0 HA VAL A 357 6.387 2.958 2.222 1.00 0.00 H new ATOM 0 HB VAL A 357 7.556 0.929 4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 357 7.402 -0.648 2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 357 5.812 0.000 2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 357 6.627 0.611 1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 357 9.386 0.669 2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 357 8.693 1.988 1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 357 9.311 2.319 3.218 1.00 0.00 H new ATOM 468 N TYR A 358 4.222 2.209 3.252 1.00 0.00 N ATOM 469 CA TYR A 358 2.932 1.900 3.820 1.00 0.00 C ATOM 470 C TYR A 358 2.348 0.665 3.210 1.00 0.00 C ATOM 471 O TYR A 358 2.470 0.452 2.022 1.00 0.00 O ATOM 472 CB TYR A 358 2.041 3.126 3.643 1.00 0.00 C ATOM 473 CG TYR A 358 2.541 4.288 4.423 1.00 0.00 C ATOM 474 CD1 TYR A 358 2.253 4.418 5.777 1.00 0.00 C ATOM 475 CD2 TYR A 358 3.338 5.222 3.834 1.00 0.00 C ATOM 476 CE1 TYR A 358 2.750 5.476 6.506 1.00 0.00 C ATOM 477 CE2 TYR A 358 3.836 6.263 4.534 1.00 0.00 C ATOM 478 CZ TYR A 358 3.544 6.402 5.876 1.00 0.00 C ATOM 479 OH TYR A 358 4.054 7.473 6.585 1.00 0.00 O ATOM 0 H TYR A 358 4.197 2.401 2.250 1.00 0.00 H new ATOM 0 HA TYR A 358 3.025 1.677 4.883 1.00 0.00 H new ATOM 0 HB2 TYR A 358 1.993 3.391 2.587 1.00 0.00 H new ATOM 0 HB3 TYR A 358 1.026 2.886 3.958 1.00 0.00 H new ATOM 0 HD1 TYR A 358 1.632 3.680 6.263 1.00 0.00 H new ATOM 0 HD2 TYR A 358 3.577 5.128 2.785 1.00 0.00 H new ATOM 0 HE1 TYR A 358 2.519 5.575 7.556 1.00 0.00 H new ATOM 0 HE2 TYR A 358 4.465 6.990 4.042 1.00 0.00 H new ATOM 0 HH TYR A 358 4.967 7.267 6.877 1.00 0.00 H new ATOM 489 N VAL A 359 1.769 -0.168 4.036 1.00 0.00 N ATOM 490 CA VAL A 359 1.085 -1.370 3.593 1.00 0.00 C ATOM 491 C VAL A 359 -0.354 -1.326 4.021 1.00 0.00 C ATOM 492 O VAL A 359 -0.614 -1.133 5.191 1.00 0.00 O ATOM 493 CB VAL A 359 1.809 -2.625 4.240 1.00 0.00 C ATOM 494 CG1 VAL A 359 1.136 -3.945 3.921 1.00 0.00 C ATOM 495 CG2 VAL A 359 3.185 -2.707 3.673 1.00 0.00 C ATOM 0 H VAL A 359 1.755 -0.035 5.047 1.00 0.00 H new ATOM 0 HA VAL A 359 1.119 -1.442 2.506 1.00 0.00 H new ATOM 0 HB VAL A 359 1.784 -2.479 5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 359 1.685 -4.758 4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 359 0.112 -3.931 4.295 1.00 0.00 H new ATOM 0 HG13 VAL A 359 1.125 -4.097 2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 359 3.705 -3.563 4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 359 3.126 -2.824 2.591 1.00 0.00 H new ATOM 0 HG23 VAL A 359 3.731 -1.794 3.910 1.00 0.00 H new ATOM 505 N CYS A 360 -1.326 -1.502 3.079 1.00 0.00 N ATOM 506 CA CYS A 360 -2.709 -1.649 3.566 1.00 0.00 C ATOM 507 C CYS A 360 -2.917 -3.060 4.112 1.00 0.00 C ATOM 508 O CYS A 360 -3.857 -3.329 4.799 1.00 0.00 O ATOM 509 CB CYS A 360 -3.905 -1.299 2.636 1.00 0.00 C ATOM 510 SG CYS A 360 -5.522 -1.252 3.556 1.00 0.00 S ATOM 0 H CYS A 360 -1.190 -1.542 2.069 1.00 0.00 H new ATOM 0 HA CYS A 360 -2.753 -0.861 4.317 1.00 0.00 H new ATOM 0 HB2 CYS A 360 -3.727 -0.331 2.168 1.00 0.00 H new ATOM 0 HB3 CYS A 360 -3.967 -2.035 1.834 1.00 0.00 H new ATOM 0 HG CYS A 360 -6.505 -1.260 2.706 1.00 0.00 H new ATOM 515 N ALA A 361 -2.097 -3.984 3.627 1.00 0.00 N ATOM 516 CA ALA A 361 -2.240 -5.451 3.858 1.00 0.00 C ATOM 517 C ALA A 361 -3.510 -6.017 3.186 1.00 0.00 C ATOM 518 O ALA A 361 -3.632 -7.218 2.986 1.00 0.00 O ATOM 519 CB ALA A 361 -2.237 -5.783 5.349 1.00 0.00 C ATOM 0 H ALA A 361 -1.291 -3.749 3.048 1.00 0.00 H new ATOM 0 HA ALA A 361 -1.375 -5.928 3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 361 -2.343 -6.860 5.482 1.00 0.00 H new ATOM 0 HB2 ALA A 361 -1.298 -5.453 5.793 1.00 0.00 H new ATOM 0 HB3 ALA A 361 -3.068 -5.274 5.837 1.00 0.00 H new ATOM 525 N VAL A 362 -4.433 -5.117 2.799 1.00 0.00 N ATOM 526 CA VAL A 362 -5.697 -5.466 2.204 1.00 0.00 C ATOM 527 C VAL A 362 -6.040 -4.452 1.048 1.00 0.00 C ATOM 528 O VAL A 362 -7.117 -4.427 0.564 1.00 0.00 O ATOM 529 CB VAL A 362 -6.862 -5.498 3.286 1.00 0.00 C ATOM 530 CG1 VAL A 362 -8.137 -6.117 2.736 1.00 0.00 C ATOM 531 CG2 VAL A 362 -6.454 -6.224 4.570 1.00 0.00 C ATOM 0 H VAL A 362 -4.300 -4.111 2.902 1.00 0.00 H new ATOM 0 HA VAL A 362 -5.613 -6.470 1.787 1.00 0.00 H new ATOM 0 HB VAL A 362 -7.057 -4.454 3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 362 -8.904 -6.118 3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 362 -8.484 -5.536 1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 362 -7.938 -7.142 2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 362 -7.287 -6.216 5.273 1.00 0.00 H new ATOM 0 HG22 VAL A 362 -6.187 -7.255 4.336 1.00 0.00 H new ATOM 0 HG23 VAL A 362 -5.597 -5.720 5.017 1.00 0.00 H new ATOM 541 N CYS A 363 -5.096 -3.568 0.642 1.00 0.00 N ATOM 542 CA CYS A 363 -5.356 -2.693 -0.559 1.00 0.00 C ATOM 543 C CYS A 363 -4.118 -2.555 -1.355 1.00 0.00 C ATOM 544 O CYS A 363 -3.315 -1.695 -1.067 1.00 0.00 O ATOM 545 CB CYS A 363 -5.888 -1.333 -0.258 1.00 0.00 C ATOM 546 SG CYS A 363 -7.497 -1.311 0.387 1.00 0.00 S ATOM 0 H CYS A 363 -4.190 -3.434 1.091 1.00 0.00 H new ATOM 0 HA CYS A 363 -6.143 -3.206 -1.113 1.00 0.00 H new ATOM 0 HB2 CYS A 363 -5.220 -0.845 0.452 1.00 0.00 H new ATOM 0 HB3 CYS A 363 -5.870 -0.740 -1.172 1.00 0.00 H new ATOM 0 HG CYS A 363 -8.340 -1.026 -0.560 1.00 0.00 H new ATOM 551 N GLN A 364 -3.903 -3.560 -2.266 1.00 0.00 N ATOM 552 CA GLN A 364 -2.622 -3.945 -3.080 1.00 0.00 C ATOM 553 C GLN A 364 -1.486 -4.242 -2.107 1.00 0.00 C ATOM 554 O GLN A 364 -0.454 -4.712 -2.416 1.00 0.00 O ATOM 555 CB GLN A 364 -2.096 -2.910 -4.037 1.00 0.00 C ATOM 556 CG GLN A 364 -1.384 -1.802 -3.335 1.00 0.00 C ATOM 557 CD GLN A 364 -0.653 -0.904 -4.223 1.00 0.00 C ATOM 558 OE1 GLN A 364 -0.395 0.252 -3.757 1.00 0.00 O flip ATOM 559 NE2 GLN A 364 -0.276 -1.259 -5.316 1.00 0.00 N flip ATOM 0 H GLN A 364 -4.666 -4.197 -2.494 1.00 0.00 H new ATOM 0 HA GLN A 364 -2.941 -4.797 -3.681 1.00 0.00 H new ATOM 0 HB2 GLN A 364 -1.417 -3.385 -4.745 1.00 0.00 H new ATOM 0 HB3 GLN A 364 -2.923 -2.499 -4.615 1.00 0.00 H new ATOM 0 HG2 GLN A 364 -2.110 -1.221 -2.767 1.00 0.00 H new ATOM 0 HG3 GLN A 364 -0.686 -2.231 -2.616 1.00 0.00 H new ATOM 0 HE21 GLN A 364 -0.503 -2.194 -5.655 1.00 0.00 H new ATOM 0 HE22 GLN A 364 0.269 -0.623 -5.899 1.00 0.00 H new ATOM 568 N ASN A 365 -1.864 -3.981 -0.987 1.00 0.00 N ATOM 569 CA ASN A 365 -1.326 -4.009 0.258 1.00 0.00 C ATOM 570 C ASN A 365 -0.163 -2.972 0.397 1.00 0.00 C ATOM 571 O ASN A 365 0.562 -3.070 1.276 1.00 0.00 O ATOM 572 CB ASN A 365 -0.822 -5.413 0.574 1.00 0.00 C ATOM 573 CG ASN A 365 -1.724 -6.608 0.174 1.00 0.00 C ATOM 574 OD1 ASN A 365 -1.233 -7.656 -0.149 1.00 0.00 O ATOM 575 ND2 ASN A 365 -3.031 -6.450 0.179 1.00 0.00 N ATOM 0 H ASN A 365 -2.825 -3.651 -0.898 1.00 0.00 H new ATOM 0 HA ASN A 365 -2.104 -3.737 0.972 1.00 0.00 H new ATOM 0 HB2 ASN A 365 0.143 -5.542 0.083 1.00 0.00 H new ATOM 0 HB3 ASN A 365 -0.644 -5.472 1.648 1.00 0.00 H new ATOM 0 HD21 ASN A 365 -3.639 -7.222 -0.093 1.00 0.00 H new ATOM 0 HD22 ASN A 365 -3.435 -5.555 0.455 1.00 0.00 H new ATOM 582 N VAL A 366 -0.130 -1.889 -0.406 1.00 0.00 N ATOM 583 CA VAL A 366 0.881 -0.763 -0.246 1.00 0.00 C ATOM 584 C VAL A 366 0.348 0.685 -0.490 1.00 0.00 C ATOM 585 O VAL A 366 -0.630 0.872 -1.221 1.00 0.00 O ATOM 586 CB VAL A 366 2.272 -0.990 -0.930 1.00 0.00 C ATOM 587 CG1 VAL A 366 3.053 -2.121 -0.279 1.00 0.00 C ATOM 588 CG2 VAL A 366 2.081 -1.304 -2.364 1.00 0.00 C ATOM 0 H VAL A 366 -0.781 -1.748 -1.178 1.00 0.00 H new ATOM 0 HA VAL A 366 1.062 -0.828 0.827 1.00 0.00 H new ATOM 0 HB VAL A 366 2.844 -0.069 -0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 366 4.010 -2.241 -0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 366 3.226 -1.886 0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 366 2.483 -3.047 -0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 366 3.052 -1.461 -2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 366 1.480 -2.208 -2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 366 1.570 -0.474 -2.853 1.00 0.00 H new ATOM 598 N PHE A 367 0.965 1.680 0.176 1.00 0.00 N ATOM 599 CA PHE A 367 0.785 3.143 -0.038 1.00 0.00 C ATOM 600 C PHE A 367 1.916 4.120 0.208 1.00 0.00 C ATOM 601 O PHE A 367 2.917 3.800 0.849 1.00 0.00 O ATOM 602 CB PHE A 367 -0.604 3.765 -0.243 1.00 0.00 C ATOM 603 CG PHE A 367 -1.534 3.527 0.794 1.00 0.00 C ATOM 604 CD1 PHE A 367 -2.262 2.430 0.683 1.00 0.00 C ATOM 605 CD2 PHE A 367 -1.684 4.356 1.863 1.00 0.00 C ATOM 606 CE1 PHE A 367 -3.154 2.077 1.574 1.00 0.00 C ATOM 607 CE2 PHE A 367 -2.605 4.038 2.827 1.00 0.00 C ATOM 608 CZ PHE A 367 -3.356 2.873 2.684 1.00 0.00 C ATOM 0 H PHE A 367 1.638 1.483 0.917 1.00 0.00 H new ATOM 0 HA PHE A 367 0.998 2.752 -1.033 1.00 0.00 H new ATOM 0 HB2 PHE A 367 -0.487 4.842 -0.363 1.00 0.00 H new ATOM 0 HB3 PHE A 367 -1.020 3.384 -1.176 1.00 0.00 H new ATOM 0 HD1 PHE A 367 -2.115 1.797 -0.180 1.00 0.00 H new ATOM 0 HD2 PHE A 367 -1.086 5.251 1.950 1.00 0.00 H new ATOM 0 HE1 PHE A 367 -3.727 1.171 1.442 1.00 0.00 H new ATOM 0 HE2 PHE A 367 -2.746 4.680 3.684 1.00 0.00 H new ATOM 0 HZ PHE A 367 -4.086 2.597 3.431 1.00 0.00 H new ATOM 618 N CYS A 368 1.742 5.321 -0.324 1.00 0.00 N ATOM 619 CA CYS A 368 2.765 6.329 -0.321 1.00 0.00 C ATOM 620 C CYS A 368 2.582 7.106 0.850 1.00 0.00 C ATOM 621 O CYS A 368 1.479 7.117 1.431 1.00 0.00 O ATOM 622 CB CYS A 368 2.589 7.364 -1.377 1.00 0.00 C ATOM 623 SG CYS A 368 2.506 6.944 -3.035 1.00 0.00 S ATOM 0 H CYS A 368 0.874 5.615 -0.772 1.00 0.00 H new ATOM 0 HA CYS A 368 3.709 5.796 -0.434 1.00 0.00 H new ATOM 0 HB2 CYS A 368 1.673 7.905 -1.141 1.00 0.00 H new ATOM 0 HB3 CYS A 368 3.413 8.070 -1.270 1.00 0.00 H new ATOM 0 HG CYS A 368 1.262 6.910 -3.412 1.00 0.00 H new ATOM 628 N VAL A 369 3.613 7.779 1.186 1.00 0.00 N ATOM 629 CA VAL A 369 3.596 8.605 2.294 1.00 0.00 C ATOM 630 C VAL A 369 2.562 9.704 2.033 1.00 0.00 C ATOM 631 O VAL A 369 1.744 10.022 2.892 1.00 0.00 O ATOM 632 CB VAL A 369 4.971 9.226 2.524 1.00 0.00 C ATOM 633 CG1 VAL A 369 5.012 10.011 3.767 1.00 0.00 C ATOM 634 CG2 VAL A 369 6.112 8.248 2.410 1.00 0.00 C ATOM 0 H VAL A 369 4.499 7.761 0.682 1.00 0.00 H new ATOM 0 HA VAL A 369 3.338 8.033 3.185 1.00 0.00 H new ATOM 0 HB VAL A 369 5.126 9.922 1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 369 6.007 10.437 3.896 1.00 0.00 H new ATOM 0 HG12 VAL A 369 4.277 10.815 3.714 1.00 0.00 H new ATOM 0 HG13 VAL A 369 4.782 9.364 4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 369 7.054 8.766 2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 369 5.989 7.457 3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 369 6.119 7.812 1.411 1.00 0.00 H new ATOM 644 N ASP A 370 2.593 10.226 0.805 1.00 0.00 N ATOM 645 CA ASP A 370 1.632 11.216 0.361 1.00 0.00 C ATOM 646 C ASP A 370 0.230 10.664 0.330 1.00 0.00 C ATOM 647 O ASP A 370 -0.722 11.313 0.643 1.00 0.00 O ATOM 648 CB ASP A 370 2.026 11.812 -1.024 1.00 0.00 C ATOM 649 CG ASP A 370 2.040 10.863 -2.279 1.00 0.00 C ATOM 650 OD1 ASP A 370 1.468 9.722 -2.284 1.00 0.00 O ATOM 651 OD2 ASP A 370 2.626 11.238 -3.300 1.00 0.00 O ATOM 0 H ASP A 370 3.284 9.971 0.100 1.00 0.00 H new ATOM 0 HA ASP A 370 1.649 12.024 1.092 1.00 0.00 H new ATOM 0 HB2 ASP A 370 1.341 12.632 -1.238 1.00 0.00 H new ATOM 0 HB3 ASP A 370 3.021 12.245 -0.926 1.00 0.00 H new ATOM 656 N CYS A 371 0.131 9.461 -0.048 1.00 0.00 N ATOM 657 CA CYS A 371 -1.108 8.820 -0.131 1.00 0.00 C ATOM 658 C CYS A 371 -1.906 8.538 1.109 1.00 0.00 C ATOM 659 O CYS A 371 -3.085 8.276 1.008 1.00 0.00 O ATOM 660 CB CYS A 371 -1.254 7.900 -1.285 1.00 0.00 C ATOM 661 SG CYS A 371 -1.115 8.836 -2.825 1.00 0.00 S ATOM 0 H CYS A 371 0.926 8.880 -0.315 1.00 0.00 H new ATOM 0 HA CYS A 371 -1.734 9.673 -0.393 1.00 0.00 H new ATOM 0 HB2 CYS A 371 -0.487 7.127 -1.247 1.00 0.00 H new ATOM 0 HB3 CYS A 371 -2.218 7.394 -1.240 1.00 0.00 H new ATOM 0 HG CYS A 371 0.086 9.321 -2.931 1.00 0.00 H new ATOM 666 N ASP A 372 -1.283 8.472 2.253 1.00 0.00 N ATOM 667 CA ASP A 372 -2.083 8.419 3.469 1.00 0.00 C ATOM 668 C ASP A 372 -2.982 9.688 3.612 1.00 0.00 C ATOM 669 O ASP A 372 -4.153 9.585 3.950 1.00 0.00 O ATOM 670 CB ASP A 372 -1.227 8.127 4.702 1.00 0.00 C ATOM 671 CG ASP A 372 -2.049 7.932 5.960 1.00 0.00 C ATOM 672 OD1 ASP A 372 -2.620 6.833 6.155 1.00 0.00 O ATOM 673 OD2 ASP A 372 -2.066 8.840 6.821 1.00 0.00 O ATOM 0 H ASP A 372 -0.271 8.454 2.381 1.00 0.00 H new ATOM 0 HA ASP A 372 -2.768 7.575 3.388 1.00 0.00 H new ATOM 0 HB2 ASP A 372 -0.632 7.232 4.521 1.00 0.00 H new ATOM 0 HB3 ASP A 372 -0.528 8.949 4.855 1.00 0.00 H new ATOM 678 N VAL A 373 -2.440 10.888 3.264 1.00 0.00 N ATOM 679 CA VAL A 373 -3.257 12.132 3.180 1.00 0.00 C ATOM 680 C VAL A 373 -4.345 12.062 2.115 1.00 0.00 C ATOM 681 O VAL A 373 -5.397 12.711 2.231 1.00 0.00 O ATOM 682 CB VAL A 373 -2.493 13.517 3.138 1.00 0.00 C ATOM 683 CG1 VAL A 373 -1.776 13.759 1.828 1.00 0.00 C ATOM 684 CG2 VAL A 373 -3.488 14.648 3.365 1.00 0.00 C ATOM 0 H VAL A 373 -1.454 11.020 3.040 1.00 0.00 H new ATOM 0 HA VAL A 373 -3.724 12.140 4.165 1.00 0.00 H new ATOM 0 HB VAL A 373 -1.739 13.486 3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 373 -1.272 14.725 1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 373 -1.041 12.971 1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 373 -2.498 13.756 1.012 1.00 0.00 H new ATOM 0 HG21 VAL A 373 -2.965 15.604 3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 373 -4.248 14.627 2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 373 -3.964 14.524 4.337 1.00 0.00 H new ATOM 694 N PHE A 374 -4.085 11.255 1.080 1.00 0.00 N ATOM 695 CA PHE A 374 -4.962 11.139 -0.102 1.00 0.00 C ATOM 696 C PHE A 374 -6.342 10.809 0.428 1.00 0.00 C ATOM 697 O PHE A 374 -7.360 11.366 0.020 1.00 0.00 O ATOM 698 CB PHE A 374 -4.490 9.903 -0.932 1.00 0.00 C ATOM 699 CG PHE A 374 -5.055 9.662 -2.285 1.00 0.00 C ATOM 700 CD1 PHE A 374 -4.662 10.428 -3.367 1.00 0.00 C ATOM 701 CD2 PHE A 374 -5.979 8.696 -2.472 1.00 0.00 C ATOM 702 CE1 PHE A 374 -5.202 10.202 -4.618 1.00 0.00 C ATOM 703 CE2 PHE A 374 -6.528 8.453 -3.697 1.00 0.00 C ATOM 704 CZ PHE A 374 -6.144 9.207 -4.783 1.00 0.00 C ATOM 0 H PHE A 374 -3.258 10.660 1.034 1.00 0.00 H new ATOM 0 HA PHE A 374 -4.948 12.046 -0.706 1.00 0.00 H new ATOM 0 HB2 PHE A 374 -3.408 9.978 -1.040 1.00 0.00 H new ATOM 0 HB3 PHE A 374 -4.689 9.014 -0.333 1.00 0.00 H new ATOM 0 HD1 PHE A 374 -3.928 11.208 -3.233 1.00 0.00 H new ATOM 0 HD2 PHE A 374 -6.292 8.099 -1.628 1.00 0.00 H new ATOM 0 HE1 PHE A 374 -4.889 10.800 -5.461 1.00 0.00 H new ATOM 0 HE2 PHE A 374 -7.263 7.670 -3.815 1.00 0.00 H new ATOM 0 HZ PHE A 374 -6.576 9.022 -5.755 1.00 0.00 H new ATOM 714 N VAL A 375 -6.321 9.914 1.374 1.00 0.00 N ATOM 715 CA VAL A 375 -7.476 9.428 2.049 1.00 0.00 C ATOM 716 C VAL A 375 -8.163 10.543 2.891 1.00 0.00 C ATOM 717 O VAL A 375 -9.373 10.794 2.775 1.00 0.00 O ATOM 718 CB VAL A 375 -6.979 8.395 3.045 1.00 0.00 C ATOM 719 CG1 VAL A 375 -8.038 7.806 3.807 1.00 0.00 C ATOM 720 CG2 VAL A 375 -6.066 7.387 2.460 1.00 0.00 C ATOM 0 H VAL A 375 -5.456 9.488 1.706 1.00 0.00 H new ATOM 0 HA VAL A 375 -8.185 9.045 1.315 1.00 0.00 H new ATOM 0 HB VAL A 375 -6.366 8.956 3.751 1.00 0.00 H new ATOM 0 HG11 VAL A 375 -7.624 7.076 4.502 1.00 0.00 H new ATOM 0 HG12 VAL A 375 -8.560 8.583 4.366 1.00 0.00 H new ATOM 0 HG13 VAL A 375 -8.738 7.310 3.134 1.00 0.00 H new ATOM 0 HG21 VAL A 375 -5.755 6.685 3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 375 -6.581 6.847 1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 375 -5.188 7.886 2.049 1.00 0.00 H new ATOM 730 N HIS A 376 -7.327 11.244 3.660 1.00 0.00 N ATOM 731 CA HIS A 376 -7.730 12.292 4.611 1.00 0.00 C ATOM 732 C HIS A 376 -8.497 13.442 4.051 1.00 0.00 C ATOM 733 O HIS A 376 -9.403 13.950 4.709 1.00 0.00 O ATOM 734 CB HIS A 376 -6.609 12.756 5.555 1.00 0.00 C ATOM 735 CG HIS A 376 -6.150 11.706 6.527 1.00 0.00 C ATOM 736 ND1 HIS A 376 -6.844 11.384 7.675 1.00 0.00 N ATOM 737 CD2 HIS A 376 -5.073 10.894 6.509 1.00 0.00 C ATOM 738 CE1 HIS A 376 -6.192 10.414 8.300 1.00 0.00 C ATOM 739 NE2 HIS A 376 -5.100 10.073 7.636 1.00 0.00 N ATOM 0 H HIS A 376 -6.318 11.096 3.640 1.00 0.00 H new ATOM 0 HA HIS A 376 -8.458 11.755 5.218 1.00 0.00 H new ATOM 0 HB2 HIS A 376 -5.757 13.080 4.958 1.00 0.00 H new ATOM 0 HB3 HIS A 376 -6.956 13.626 6.113 1.00 0.00 H new ATOM 0 HD2 HIS A 376 -4.311 10.882 5.744 1.00 0.00 H new ATOM 0 HE1 HIS A 376 -6.510 9.962 9.228 1.00 0.00 H new ATOM 0 HE2 HIS A 376 -4.419 9.358 7.894 1.00 0.00 H new ATOM 747 N ASP A 377 -8.149 13.857 2.847 1.00 0.00 N ATOM 748 CA ASP A 377 -8.742 15.060 2.238 1.00 0.00 C ATOM 749 C ASP A 377 -10.273 14.987 2.194 1.00 0.00 C ATOM 750 O ASP A 377 -10.943 15.974 2.487 1.00 0.00 O ATOM 751 CB ASP A 377 -8.199 15.252 0.818 1.00 0.00 C ATOM 752 CG ASP A 377 -8.625 16.564 0.186 1.00 0.00 C ATOM 753 OD1 ASP A 377 -7.925 17.593 0.380 1.00 0.00 O ATOM 754 OD2 ASP A 377 -9.636 16.594 -0.540 1.00 0.00 O ATOM 0 H ASP A 377 -7.459 13.386 2.261 1.00 0.00 H new ATOM 0 HA ASP A 377 -8.464 15.910 2.861 1.00 0.00 H new ATOM 0 HB2 ASP A 377 -7.110 15.205 0.843 1.00 0.00 H new ATOM 0 HB3 ASP A 377 -8.539 14.427 0.192 1.00 0.00 H new ATOM 759 N SER A 378 -10.781 13.785 1.918 1.00 0.00 N ATOM 760 CA SER A 378 -12.248 13.458 1.792 1.00 0.00 C ATOM 761 C SER A 378 -12.486 12.080 1.188 1.00 0.00 C ATOM 762 O SER A 378 -13.595 11.561 1.245 1.00 0.00 O ATOM 763 CB SER A 378 -12.973 14.425 0.841 1.00 0.00 C ATOM 764 OG SER A 378 -13.296 15.667 1.456 1.00 0.00 O ATOM 0 H SER A 378 -10.186 12.971 1.767 1.00 0.00 H new ATOM 0 HA SER A 378 -12.626 13.523 2.812 1.00 0.00 H new ATOM 0 HB2 SER A 378 -12.345 14.609 -0.030 1.00 0.00 H new ATOM 0 HB3 SER A 378 -13.888 13.955 0.481 1.00 0.00 H new ATOM 0 HG SER A 378 -12.598 15.903 2.102 1.00 0.00 H new ATOM 770 N LEU A 379 -11.448 11.507 0.643 1.00 0.00 N ATOM 771 CA LEU A 379 -11.533 10.458 -0.325 1.00 0.00 C ATOM 772 C LEU A 379 -12.331 9.218 0.109 1.00 0.00 C ATOM 773 O LEU A 379 -13.202 8.743 -0.639 1.00 0.00 O ATOM 774 CB LEU A 379 -10.131 9.954 -0.435 1.00 0.00 C ATOM 775 CG LEU A 379 -9.882 8.952 -1.490 1.00 0.00 C ATOM 776 CD1 LEU A 379 -9.657 9.657 -2.806 1.00 0.00 C ATOM 777 CD2 LEU A 379 -8.784 7.975 -1.112 1.00 0.00 C ATOM 0 H LEU A 379 -10.489 11.769 0.871 1.00 0.00 H new ATOM 0 HA LEU A 379 -12.013 10.869 -1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 379 -9.473 10.805 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 379 -9.846 9.521 0.524 1.00 0.00 H new ATOM 0 HG LEU A 379 -10.764 8.323 -1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 379 -9.473 8.919 -3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 379 -10.540 10.242 -3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 379 -8.795 10.319 -2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 379 -8.640 7.259 -1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 379 -7.856 8.520 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 379 -9.067 7.444 -0.203 1.00 0.00 H new ATOM 789 N HIS A 380 -12.114 8.799 1.353 1.00 0.00 N ATOM 790 CA HIS A 380 -12.515 7.467 1.834 1.00 0.00 C ATOM 791 C HIS A 380 -11.716 7.185 3.114 1.00 0.00 C ATOM 792 O HIS A 380 -10.933 8.020 3.511 1.00 0.00 O ATOM 793 CB HIS A 380 -12.132 6.446 0.710 1.00 0.00 C ATOM 794 CG HIS A 380 -12.360 4.999 0.944 1.00 0.00 C ATOM 795 ND1 HIS A 380 -11.438 4.032 1.001 1.00 0.00 N flip ATOM 796 CD2 HIS A 380 -13.569 4.394 1.128 1.00 0.00 C flip ATOM 797 CE1 HIS A 380 -12.040 2.816 1.219 1.00 0.00 C flip ATOM 798 NE2 HIS A 380 -13.349 3.090 1.291 1.00 0.00 N flip ATOM 0 H HIS A 380 -11.655 9.370 2.062 1.00 0.00 H new ATOM 0 HA HIS A 380 -13.581 7.396 2.050 1.00 0.00 H new ATOM 0 HB2 HIS A 380 -12.682 6.725 -0.189 1.00 0.00 H new ATOM 0 HB3 HIS A 380 -11.073 6.581 0.490 1.00 0.00 H new ATOM 0 HD1 HIS A 380 -10.434 4.176 0.898 1.00 0.00 H new ATOM 0 HD2 HIS A 380 -14.531 4.884 1.139 1.00 0.00 H new ATOM 0 HE1 HIS A 380 -11.563 1.852 1.312 1.00 0.00 H new ATOM 806 N SER A 381 -12.012 6.094 3.802 1.00 0.00 N ATOM 807 CA SER A 381 -11.210 5.590 4.934 1.00 0.00 C ATOM 808 C SER A 381 -9.732 5.244 4.529 1.00 0.00 C ATOM 809 O SER A 381 -8.826 5.300 5.341 1.00 0.00 O ATOM 810 CB SER A 381 -11.911 4.395 5.566 1.00 0.00 C ATOM 811 OG SER A 381 -13.239 4.751 5.937 1.00 0.00 O ATOM 0 H SER A 381 -12.827 5.516 3.596 1.00 0.00 H new ATOM 0 HA SER A 381 -11.134 6.391 5.670 1.00 0.00 H new ATOM 0 HB2 SER A 381 -11.932 3.562 4.864 1.00 0.00 H new ATOM 0 HB3 SER A 381 -11.357 4.060 6.443 1.00 0.00 H new ATOM 0 HG SER A 381 -13.684 3.977 6.341 1.00 0.00 H new ATOM 817 N CYS A 382 -9.559 4.790 3.300 1.00 0.00 N ATOM 818 CA CYS A 382 -8.248 4.399 2.677 1.00 0.00 C ATOM 819 C CYS A 382 -8.177 5.007 1.237 1.00 0.00 C ATOM 820 O CYS A 382 -9.125 5.596 0.829 1.00 0.00 O ATOM 821 CB CYS A 382 -8.281 2.877 2.657 1.00 0.00 C ATOM 822 SG CYS A 382 -6.869 1.956 1.998 1.00 0.00 S ATOM 0 H CYS A 382 -10.343 4.668 2.659 1.00 0.00 H new ATOM 0 HA CYS A 382 -7.371 4.762 3.213 1.00 0.00 H new ATOM 0 HB2 CYS A 382 -8.438 2.542 3.682 1.00 0.00 H new ATOM 0 HB3 CYS A 382 -9.160 2.578 2.085 1.00 0.00 H new ATOM 0 HG CYS A 382 -6.996 1.829 0.710 1.00 0.00 H new ATOM 827 N PRO A 383 -7.002 4.948 0.465 1.00 0.00 N ATOM 828 CA PRO A 383 -6.964 5.360 -0.987 1.00 0.00 C ATOM 829 C PRO A 383 -7.968 4.593 -1.761 1.00 0.00 C ATOM 830 O PRO A 383 -8.417 4.971 -2.839 1.00 0.00 O ATOM 831 CB PRO A 383 -5.574 4.986 -1.451 1.00 0.00 C ATOM 832 CG PRO A 383 -4.778 4.881 -0.232 1.00 0.00 C ATOM 833 CD PRO A 383 -5.670 4.632 0.941 1.00 0.00 C ATOM 0 HA PRO A 383 -7.185 6.419 -1.122 1.00 0.00 H new ATOM 0 HB2 PRO A 383 -5.582 4.043 -1.998 1.00 0.00 H new ATOM 0 HB3 PRO A 383 -5.167 5.741 -2.123 1.00 0.00 H new ATOM 0 HG2 PRO A 383 -4.055 4.071 -0.328 1.00 0.00 H new ATOM 0 HG3 PRO A 383 -4.210 5.798 -0.079 1.00 0.00 H new ATOM 0 HD2 PRO A 383 -5.604 3.597 1.275 1.00 0.00 H new ATOM 0 HD3 PRO A 383 -5.393 5.259 1.789 1.00 0.00 H new ATOM 841 N GLY A 384 -8.252 3.522 -1.209 1.00 0.00 N ATOM 842 CA GLY A 384 -9.267 2.723 -1.674 1.00 0.00 C ATOM 843 C GLY A 384 -9.244 1.346 -1.130 1.00 0.00 C ATOM 844 O GLY A 384 -8.674 0.445 -1.727 1.00 0.00 O ATOM 0 H GLY A 384 -7.769 3.157 -0.388 1.00 0.00 H new ATOM 0 HA2 GLY A 384 -10.223 3.185 -1.426 1.00 0.00 H new ATOM 0 HA3 GLY A 384 -9.209 2.675 -2.761 1.00 0.00 H new ATOM 848 N CYS A 385 -9.890 1.165 0.031 1.00 0.00 N ATOM 849 CA CYS A 385 -10.286 -0.171 0.453 1.00 0.00 C ATOM 850 C CYS A 385 -11.252 -0.699 -0.589 1.00 0.00 C ATOM 851 O CYS A 385 -11.399 -1.905 -0.771 1.00 0.00 O ATOM 852 CB CYS A 385 -10.806 -0.289 1.932 1.00 0.00 C ATOM 853 SG CYS A 385 -9.566 -0.080 3.296 1.00 0.00 S ATOM 0 H CYS A 385 -10.142 1.913 0.677 1.00 0.00 H new ATOM 0 HA CYS A 385 -9.398 -0.801 0.500 1.00 0.00 H new ATOM 0 HB2 CYS A 385 -11.590 0.455 2.073 1.00 0.00 H new ATOM 0 HB3 CYS A 385 -11.271 -1.268 2.048 1.00 0.00 H new ATOM 0 HG CYS A 385 -8.500 0.499 2.828 1.00 0.00 H new ATOM 858 N ILE A 386 -11.848 0.265 -1.327 1.00 0.00 N ATOM 859 CA ILE A 386 -12.756 -0.025 -2.422 1.00 0.00 C ATOM 860 C ILE A 386 -12.058 -0.885 -3.521 1.00 0.00 C ATOM 861 O ILE A 386 -12.674 -1.747 -4.116 1.00 0.00 O ATOM 862 CB ILE A 386 -13.291 1.293 -3.066 1.00 0.00 C ATOM 863 CG1 ILE A 386 -14.029 2.140 -2.027 1.00 0.00 C ATOM 864 CG2 ILE A 386 -14.228 0.984 -4.241 1.00 0.00 C ATOM 865 CD1 ILE A 386 -14.477 3.501 -2.535 1.00 0.00 C ATOM 0 H ILE A 386 -11.702 1.262 -1.167 1.00 0.00 H new ATOM 0 HA ILE A 386 -13.592 -0.589 -2.007 1.00 0.00 H new ATOM 0 HB ILE A 386 -12.434 1.855 -3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 386 -14.903 1.589 -1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 386 -13.379 2.283 -1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 386 -14.588 1.917 -4.674 1.00 0.00 H new ATOM 0 HG22 ILE A 386 -13.687 0.418 -4.999 1.00 0.00 H new ATOM 0 HG23 ILE A 386 -15.075 0.398 -3.886 1.00 0.00 H new ATOM 0 HD11 ILE A 386 -14.991 4.036 -1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 386 -13.607 4.075 -2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 386 -15.154 3.369 -3.379 1.00 0.00 H new