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 360 CYS SG : rot -7:sc= -3.54! USER MOD Set 1.2: A 363 CYS SG : rot 166:sc= -7.29! USER MOD Set 1.3: A 382 CYS SG : rot 104:sc= 0.724 USER MOD Set 1.4: A 385 CYS SG : rot 5:sc= 0.834 USER MOD Set 2.1: A 356 HIS : no HD1:sc= -0.61 K(o=-1.7,f=-3.4) USER MOD Set 2.2: A 358 TYR OH : rot 38:sc= -1.07 USER MOD Set 3.1: A 345 CYS SG : rot 175:sc= 3.35 USER MOD Set 3.2: A 348 CYS SG : rot -42:sc= -1.64! USER MOD Set 3.3: A 368 CYS SG : rot 103:sc= -3.01! USER MOD Set 3.4: A 371 CYS SG : rot 103:sc= 0.973 USER MOD Single : A 332 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 339 TYR OH : rot 174:sc= -1.09 USER MOD Single : A 340 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 346 TYR OH : rot 30:sc= -0.96 USER MOD Single : A 349 GLN : amide:sc= -0.484 X(o=-0.48,f=0) USER MOD Single : A 353 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000147) USER MOD Single : A 355 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.63) USER MOD Single : A 364 GLN : amide:sc= -10.8! C(o=-11!,f=-11!) USER MOD Single : A 365 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.05) USER MOD Single : A 376 HIS :FLIP no HD1:sc= -0.465 F(o=-1.2,f=-0.47) USER MOD Single : A 378 SER OG : rot 67:sc= 0.954 USER MOD Single : A 380 HIS :FLIP no HE2:sc= -0.324 F(o=-3.6!,f=-0.32) USER MOD Single : A 381 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N PHE A 331 -1.134 -3.259 9.012 1.00 0.00 N ATOM 43 CA PHE A 331 -0.867 -1.918 8.562 1.00 0.00 C ATOM 44 C PHE A 331 0.411 -1.506 9.161 1.00 0.00 C ATOM 45 O PHE A 331 0.595 -1.590 10.390 1.00 0.00 O ATOM 46 CB PHE A 331 -1.969 -0.914 8.932 1.00 0.00 C ATOM 47 CG PHE A 331 -3.270 -1.069 8.212 1.00 0.00 C ATOM 48 CD1 PHE A 331 -4.307 -1.863 8.673 1.00 0.00 C ATOM 49 CD2 PHE A 331 -3.449 -0.370 7.047 1.00 0.00 C ATOM 50 CE1 PHE A 331 -5.488 -1.942 7.941 1.00 0.00 C ATOM 51 CE2 PHE A 331 -4.593 -0.447 6.348 1.00 0.00 C ATOM 52 CZ PHE A 331 -5.604 -1.214 6.764 1.00 0.00 C ATOM 0 HA PHE A 331 -0.829 -1.921 7.473 1.00 0.00 H new ATOM 0 HB2 PHE A 331 -2.158 -0.992 10.003 1.00 0.00 H new ATOM 0 HB3 PHE A 331 -1.592 0.092 8.747 1.00 0.00 H new ATOM 0 HD1 PHE A 331 -4.200 -2.417 9.594 1.00 0.00 H new ATOM 0 HD2 PHE A 331 -2.650 0.258 6.682 1.00 0.00 H new ATOM 0 HE1 PHE A 331 -6.304 -2.561 8.284 1.00 0.00 H new ATOM 0 HE2 PHE A 331 -4.697 0.120 5.435 1.00 0.00 H new ATOM 0 HZ PHE A 331 -6.513 -1.268 6.184 1.00 0.00 H new ATOM 62 N GLN A 332 1.307 -1.096 8.323 1.00 0.00 N ATOM 63 CA GLN A 332 2.611 -0.720 8.735 1.00 0.00 C ATOM 64 C GLN A 332 3.117 0.490 8.064 1.00 0.00 C ATOM 65 O GLN A 332 2.682 0.854 6.933 1.00 0.00 O ATOM 66 CB GLN A 332 3.620 -1.855 8.597 1.00 0.00 C ATOM 67 CG GLN A 332 3.344 -3.023 9.499 1.00 0.00 C ATOM 68 CD GLN A 332 4.322 -4.151 9.298 1.00 0.00 C ATOM 69 OE1 GLN A 332 4.881 -4.320 8.214 1.00 0.00 O ATOM 70 NE2 GLN A 332 4.522 -4.940 10.306 1.00 0.00 N ATOM 0 H GLN A 332 1.147 -1.013 7.319 1.00 0.00 H new ATOM 0 HA GLN A 332 2.503 -0.482 9.793 1.00 0.00 H new ATOM 0 HB2 GLN A 332 3.626 -2.200 7.563 1.00 0.00 H new ATOM 0 HB3 GLN A 332 4.617 -1.470 8.811 1.00 0.00 H new ATOM 0 HG2 GLN A 332 3.383 -2.693 10.537 1.00 0.00 H new ATOM 0 HG3 GLN A 332 2.333 -3.387 9.318 1.00 0.00 H new ATOM 0 HE21 GLN A 332 4.042 -4.770 11.190 1.00 0.00 H new ATOM 0 HE22 GLN A 332 5.160 -5.731 10.216 1.00 0.00 H new ATOM 79 N GLU A 333 4.057 1.056 8.744 1.00 0.00 N ATOM 80 CA GLU A 333 4.875 2.120 8.309 1.00 0.00 C ATOM 81 C GLU A 333 6.160 1.334 8.107 1.00 0.00 C ATOM 82 O GLU A 333 6.482 0.499 8.968 1.00 0.00 O ATOM 83 CB GLU A 333 5.070 2.978 9.548 1.00 0.00 C ATOM 84 CG GLU A 333 3.771 3.453 10.212 1.00 0.00 C ATOM 85 CD GLU A 333 2.862 4.285 9.376 1.00 0.00 C ATOM 86 OE1 GLU A 333 3.294 5.351 8.917 1.00 0.00 O ATOM 87 OE2 GLU A 333 1.701 3.895 9.156 1.00 0.00 O ATOM 0 H GLU A 333 4.285 0.757 9.692 1.00 0.00 H new ATOM 0 HA GLU A 333 4.539 2.722 7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 333 5.649 2.412 10.278 1.00 0.00 H new ATOM 0 HB3 GLU A 333 5.664 3.851 9.278 1.00 0.00 H new ATOM 0 HG2 GLU A 333 3.218 2.575 10.547 1.00 0.00 H new ATOM 0 HG3 GLU A 333 4.032 4.024 11.103 1.00 0.00 H new ATOM 94 N ILE A 334 6.895 1.524 7.060 1.00 0.00 N ATOM 95 CA ILE A 334 8.096 0.710 6.934 1.00 0.00 C ATOM 96 C ILE A 334 9.271 1.598 6.569 1.00 0.00 C ATOM 97 O ILE A 334 9.150 2.391 5.659 1.00 0.00 O ATOM 98 CB ILE A 334 7.924 -0.411 5.858 1.00 0.00 C ATOM 99 CG1 ILE A 334 6.596 -1.170 6.047 1.00 0.00 C ATOM 100 CG2 ILE A 334 9.103 -1.373 5.855 1.00 0.00 C ATOM 101 CD1 ILE A 334 6.422 -2.421 5.193 1.00 0.00 C ATOM 0 H ILE A 334 6.716 2.191 6.310 1.00 0.00 H new ATOM 0 HA ILE A 334 8.278 0.224 7.892 1.00 0.00 H new ATOM 0 HB ILE A 334 7.896 0.079 4.885 1.00 0.00 H new ATOM 0 HG12 ILE A 334 6.507 -1.453 7.096 1.00 0.00 H new ATOM 0 HG13 ILE A 334 5.775 -0.487 5.830 1.00 0.00 H new ATOM 0 HG21 ILE A 334 8.947 -2.138 5.094 1.00 0.00 H new ATOM 0 HG22 ILE A 334 10.019 -0.825 5.636 1.00 0.00 H new ATOM 0 HG23 ILE A 334 9.189 -1.847 6.833 1.00 0.00 H new ATOM 0 HD11 ILE A 334 5.454 -2.875 5.406 1.00 0.00 H new ATOM 0 HD12 ILE A 334 6.472 -2.151 4.138 1.00 0.00 H new ATOM 0 HD13 ILE A 334 7.215 -3.132 5.423 1.00 0.00 H new ATOM 113 N PRO A 335 10.448 1.424 7.204 1.00 0.00 N ATOM 114 CA PRO A 335 11.651 2.291 7.038 1.00 0.00 C ATOM 115 C PRO A 335 12.413 2.036 5.736 1.00 0.00 C ATOM 116 O PRO A 335 13.618 2.279 5.670 1.00 0.00 O ATOM 117 CB PRO A 335 12.501 1.890 8.272 1.00 0.00 C ATOM 118 CG PRO A 335 11.524 1.196 9.146 1.00 0.00 C ATOM 119 CD PRO A 335 10.765 0.386 8.195 1.00 0.00 C ATOM 0 HA PRO A 335 11.399 3.350 6.979 1.00 0.00 H new ATOM 0 HB2 PRO A 335 13.329 1.237 7.996 1.00 0.00 H new ATOM 0 HB3 PRO A 335 12.933 2.762 8.764 1.00 0.00 H new ATOM 0 HG2 PRO A 335 12.018 0.581 9.898 1.00 0.00 H new ATOM 0 HG3 PRO A 335 10.885 1.900 9.679 1.00 0.00 H new ATOM 0 HD2 PRO A 335 11.353 -0.430 7.775 1.00 0.00 H new ATOM 0 HD3 PRO A 335 9.874 -0.058 8.638 1.00 0.00 H new ATOM 127 N LEU A 336 11.700 1.494 4.718 1.00 0.00 N ATOM 128 CA LEU A 336 12.253 1.068 3.406 1.00 0.00 C ATOM 129 C LEU A 336 13.037 -0.224 3.529 1.00 0.00 C ATOM 130 O LEU A 336 12.763 -1.192 2.832 1.00 0.00 O ATOM 131 CB LEU A 336 13.164 2.132 2.778 1.00 0.00 C ATOM 132 CG LEU A 336 12.564 3.501 2.541 1.00 0.00 C ATOM 133 CD1 LEU A 336 13.576 4.358 1.867 1.00 0.00 C ATOM 134 CD2 LEU A 336 11.319 3.403 1.682 1.00 0.00 C ATOM 0 H LEU A 336 10.695 1.336 4.788 1.00 0.00 H new ATOM 0 HA LEU A 336 11.390 0.919 2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 336 14.037 2.252 3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 336 13.522 1.749 1.822 1.00 0.00 H new ATOM 0 HG LEU A 336 12.281 3.937 3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 336 13.155 5.348 1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 336 14.458 4.446 2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 336 13.857 3.908 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 336 10.906 4.399 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 336 11.575 2.961 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 336 10.580 2.778 2.183 1.00 0.00 H new ATOM 146 N GLU A 337 13.903 -0.248 4.523 1.00 0.00 N ATOM 147 CA GLU A 337 14.911 -1.283 4.755 1.00 0.00 C ATOM 148 C GLU A 337 14.319 -2.686 4.845 1.00 0.00 C ATOM 149 O GLU A 337 14.857 -3.636 4.297 1.00 0.00 O ATOM 150 CB GLU A 337 15.401 -0.966 6.159 1.00 0.00 C ATOM 151 CG GLU A 337 16.556 -1.781 6.688 1.00 0.00 C ATOM 152 CD GLU A 337 16.846 -1.436 8.130 1.00 0.00 C ATOM 153 OE1 GLU A 337 16.140 -0.567 8.701 1.00 0.00 O ATOM 154 OE2 GLU A 337 17.740 -2.060 8.740 1.00 0.00 O ATOM 0 H GLU A 337 13.930 0.487 5.230 1.00 0.00 H new ATOM 0 HA GLU A 337 15.647 -1.279 3.951 1.00 0.00 H new ATOM 0 HB2 GLU A 337 15.689 0.085 6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 337 14.562 -1.085 6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 337 16.325 -2.843 6.604 1.00 0.00 H new ATOM 0 HG3 GLU A 337 17.443 -1.598 6.081 1.00 0.00 H new ATOM 161 N GLU A 338 13.214 -2.780 5.511 1.00 0.00 N ATOM 162 CA GLU A 338 12.505 -4.015 5.688 1.00 0.00 C ATOM 163 C GLU A 338 11.923 -4.605 4.399 1.00 0.00 C ATOM 164 O GLU A 338 11.860 -5.823 4.224 1.00 0.00 O ATOM 165 CB GLU A 338 11.475 -3.890 6.793 1.00 0.00 C ATOM 166 CG GLU A 338 10.771 -5.184 7.135 1.00 0.00 C ATOM 167 CD GLU A 338 9.712 -5.005 8.173 1.00 0.00 C ATOM 168 OE1 GLU A 338 9.503 -3.880 8.642 1.00 0.00 O ATOM 169 OE2 GLU A 338 9.062 -6.006 8.550 1.00 0.00 O ATOM 0 H GLU A 338 12.764 -1.982 5.960 1.00 0.00 H new ATOM 0 HA GLU A 338 13.249 -4.749 5.998 1.00 0.00 H new ATOM 0 HB2 GLU A 338 11.965 -3.508 7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 338 10.730 -3.151 6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 338 10.323 -5.599 6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 338 11.503 -5.909 7.490 1.00 0.00 H new ATOM 176 N TYR A 339 11.535 -3.751 3.490 1.00 0.00 N ATOM 177 CA TYR A 339 10.664 -4.171 2.425 1.00 0.00 C ATOM 178 C TYR A 339 11.339 -4.212 1.044 1.00 0.00 C ATOM 179 O TYR A 339 11.905 -3.228 0.569 1.00 0.00 O ATOM 180 CB TYR A 339 9.469 -3.210 2.483 1.00 0.00 C ATOM 181 CG TYR A 339 8.351 -3.425 1.521 1.00 0.00 C ATOM 182 CD1 TYR A 339 7.370 -4.369 1.766 1.00 0.00 C ATOM 183 CD2 TYR A 339 8.233 -2.624 0.401 1.00 0.00 C ATOM 184 CE1 TYR A 339 6.309 -4.521 0.910 1.00 0.00 C ATOM 185 CE2 TYR A 339 7.184 -2.768 -0.459 1.00 0.00 C ATOM 186 CZ TYR A 339 6.221 -3.721 -0.201 1.00 0.00 C ATOM 187 OH TYR A 339 5.175 -3.873 -1.058 1.00 0.00 O ATOM 0 H TYR A 339 11.805 -2.768 3.465 1.00 0.00 H new ATOM 0 HA TYR A 339 10.355 -5.207 2.564 1.00 0.00 H new ATOM 0 HB2 TYR A 339 9.055 -3.252 3.491 1.00 0.00 H new ATOM 0 HB3 TYR A 339 9.847 -2.198 2.335 1.00 0.00 H new ATOM 0 HD1 TYR A 339 7.440 -4.995 2.643 1.00 0.00 H new ATOM 0 HD2 TYR A 339 8.983 -1.872 0.204 1.00 0.00 H new ATOM 0 HE1 TYR A 339 5.550 -5.263 1.109 1.00 0.00 H new ATOM 0 HE2 TYR A 339 7.108 -2.141 -1.335 1.00 0.00 H new ATOM 0 HH TYR A 339 5.206 -3.170 -1.740 1.00 0.00 H new ATOM 197 N ASN A 340 11.219 -5.379 0.418 1.00 0.00 N ATOM 198 CA ASN A 340 11.764 -5.709 -0.929 1.00 0.00 C ATOM 199 C ASN A 340 10.780 -5.403 -2.042 1.00 0.00 C ATOM 200 O ASN A 340 11.041 -5.714 -3.199 1.00 0.00 O ATOM 201 CB ASN A 340 12.105 -7.209 -1.027 1.00 0.00 C ATOM 202 CG ASN A 340 13.147 -7.687 -0.050 1.00 0.00 C ATOM 203 OD1 ASN A 340 14.079 -6.974 0.289 1.00 0.00 O ATOM 204 ND2 ASN A 340 12.983 -8.883 0.435 1.00 0.00 N ATOM 0 H ASN A 340 10.722 -6.164 0.838 1.00 0.00 H new ATOM 0 HA ASN A 340 12.654 -5.092 -1.049 1.00 0.00 H new ATOM 0 HB2 ASN A 340 11.192 -7.785 -0.874 1.00 0.00 H new ATOM 0 HB3 ASN A 340 12.451 -7.423 -2.038 1.00 0.00 H new ATOM 0 HD21 ASN A 340 13.644 -9.251 1.120 1.00 0.00 H new ATOM 0 HD22 ASN A 340 12.194 -9.453 0.131 1.00 0.00 H new ATOM 211 N GLY A 341 9.675 -4.799 -1.714 1.00 0.00 N ATOM 212 CA GLY A 341 8.602 -4.656 -2.686 1.00 0.00 C ATOM 213 C GLY A 341 8.797 -3.514 -3.653 1.00 0.00 C ATOM 214 O GLY A 341 9.817 -2.823 -3.608 1.00 0.00 O ATOM 0 H GLY A 341 9.483 -4.398 -0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 341 8.511 -5.584 -3.250 1.00 0.00 H new ATOM 0 HA3 GLY A 341 7.661 -4.512 -2.155 1.00 0.00 H new ATOM 218 N GLU A 342 7.789 -3.302 -4.493 1.00 0.00 N ATOM 219 CA GLU A 342 7.841 -2.353 -5.605 1.00 0.00 C ATOM 220 C GLU A 342 8.014 -0.910 -5.117 1.00 0.00 C ATOM 221 O GLU A 342 8.543 -0.074 -5.839 1.00 0.00 O ATOM 222 CB GLU A 342 6.542 -2.454 -6.425 1.00 0.00 C ATOM 223 CG GLU A 342 6.302 -3.815 -7.082 1.00 0.00 C ATOM 224 CD GLU A 342 7.370 -4.221 -8.068 1.00 0.00 C ATOM 225 OE1 GLU A 342 8.134 -3.362 -8.543 1.00 0.00 O ATOM 226 OE2 GLU A 342 7.469 -5.432 -8.390 1.00 0.00 O ATOM 0 H GLU A 342 6.897 -3.792 -4.421 1.00 0.00 H new ATOM 0 HA GLU A 342 8.704 -2.609 -6.220 1.00 0.00 H new ATOM 0 HB2 GLU A 342 5.699 -2.227 -5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 342 6.559 -1.689 -7.202 1.00 0.00 H new ATOM 0 HG2 GLU A 342 6.234 -4.575 -6.304 1.00 0.00 H new ATOM 0 HG3 GLU A 342 5.340 -3.795 -7.593 1.00 0.00 H new ATOM 233 N ARG A 343 7.607 -0.649 -3.872 1.00 0.00 N ATOM 234 CA ARG A 343 7.737 0.672 -3.244 1.00 0.00 C ATOM 235 C ARG A 343 7.017 1.783 -4.008 1.00 0.00 C ATOM 236 O ARG A 343 7.575 2.870 -4.219 1.00 0.00 O ATOM 237 CB ARG A 343 9.206 1.032 -2.974 1.00 0.00 C ATOM 238 CG ARG A 343 9.876 0.129 -1.958 1.00 0.00 C ATOM 239 CD ARG A 343 11.315 0.537 -1.697 1.00 0.00 C ATOM 240 NE ARG A 343 12.043 -0.443 -0.871 1.00 0.00 N ATOM 241 CZ ARG A 343 13.343 -0.351 -0.509 1.00 0.00 C ATOM 242 NH1 ARG A 343 14.059 0.726 -0.810 1.00 0.00 N ATOM 243 NH2 ARG A 343 13.900 -1.337 0.167 1.00 0.00 N ATOM 0 H ARG A 343 7.176 -1.349 -3.268 1.00 0.00 H new ATOM 0 HA ARG A 343 7.230 0.593 -2.282 1.00 0.00 H new ATOM 0 HB2 ARG A 343 9.761 0.985 -3.911 1.00 0.00 H new ATOM 0 HB3 ARG A 343 9.260 2.063 -2.623 1.00 0.00 H new ATOM 0 HG2 ARG A 343 9.316 0.157 -1.023 1.00 0.00 H new ATOM 0 HG3 ARG A 343 9.850 -0.901 -2.315 1.00 0.00 H new ATOM 0 HD2 ARG A 343 11.832 0.659 -2.649 1.00 0.00 H new ATOM 0 HD3 ARG A 343 11.329 1.507 -1.200 1.00 0.00 H new ATOM 0 HE ARG A 343 11.523 -1.258 -0.545 1.00 0.00 H new ATOM 0 HH11 ARG A 343 13.630 1.498 -1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 343 15.038 0.782 -0.531 1.00 0.00 H new ATOM 0 HH21 ARG A 343 13.351 -2.161 0.413 1.00 0.00 H new ATOM 0 HH22 ARG A 343 14.880 -1.276 0.444 1.00 0.00 H new ATOM 257 N PHE A 344 5.807 1.494 -4.460 1.00 0.00 N ATOM 258 CA PHE A 344 4.899 2.501 -5.025 1.00 0.00 C ATOM 259 C PHE A 344 3.501 2.520 -4.331 1.00 0.00 C ATOM 260 O PHE A 344 3.114 1.523 -3.735 1.00 0.00 O ATOM 261 CB PHE A 344 4.655 2.285 -6.414 1.00 0.00 C ATOM 262 CG PHE A 344 5.852 2.381 -7.332 1.00 0.00 C ATOM 263 CD1 PHE A 344 6.313 3.619 -7.740 1.00 0.00 C ATOM 264 CD2 PHE A 344 6.512 1.255 -7.769 1.00 0.00 C ATOM 265 CE1 PHE A 344 7.403 3.736 -8.563 1.00 0.00 C ATOM 266 CE2 PHE A 344 7.611 1.362 -8.601 1.00 0.00 C ATOM 267 CZ PHE A 344 8.054 2.607 -8.997 1.00 0.00 C ATOM 0 H PHE A 344 5.418 0.551 -4.449 1.00 0.00 H new ATOM 0 HA PHE A 344 5.414 3.447 -4.859 1.00 0.00 H new ATOM 0 HB2 PHE A 344 4.212 1.296 -6.533 1.00 0.00 H new ATOM 0 HB3 PHE A 344 3.911 3.009 -6.746 1.00 0.00 H new ATOM 0 HD1 PHE A 344 5.805 4.511 -7.404 1.00 0.00 H new ATOM 0 HD2 PHE A 344 6.168 0.279 -7.459 1.00 0.00 H new ATOM 0 HE1 PHE A 344 7.749 4.712 -8.869 1.00 0.00 H new ATOM 0 HE2 PHE A 344 8.122 0.473 -8.940 1.00 0.00 H new ATOM 0 HZ PHE A 344 8.912 2.694 -9.648 1.00 0.00 H new ATOM 277 N CYS A 345 2.718 3.650 -4.435 1.00 0.00 N ATOM 278 CA CYS A 345 1.366 3.625 -3.859 1.00 0.00 C ATOM 279 C CYS A 345 0.387 3.374 -5.069 1.00 0.00 C ATOM 280 O CYS A 345 0.720 3.805 -6.153 1.00 0.00 O ATOM 281 CB CYS A 345 0.932 5.003 -3.278 1.00 0.00 C ATOM 282 SG CYS A 345 0.114 6.091 -4.499 1.00 0.00 S ATOM 0 H CYS A 345 2.994 4.523 -4.884 1.00 0.00 H new ATOM 0 HA CYS A 345 1.346 2.877 -3.067 1.00 0.00 H new ATOM 0 HB2 CYS A 345 0.254 4.837 -2.441 1.00 0.00 H new ATOM 0 HB3 CYS A 345 1.810 5.513 -2.881 1.00 0.00 H new ATOM 0 HG CYS A 345 -0.301 7.172 -3.908 1.00 0.00 H new ATOM 287 N TYR A 346 -0.805 2.744 -4.913 1.00 0.00 N ATOM 288 CA TYR A 346 -1.748 2.600 -6.085 1.00 0.00 C ATOM 289 C TYR A 346 -2.331 3.951 -6.514 1.00 0.00 C ATOM 290 O TYR A 346 -2.401 4.255 -7.682 1.00 0.00 O ATOM 291 CB TYR A 346 -2.960 1.571 -5.873 1.00 0.00 C ATOM 292 CG TYR A 346 -4.219 2.005 -5.051 1.00 0.00 C ATOM 293 CD1 TYR A 346 -5.224 2.661 -5.717 1.00 0.00 C ATOM 294 CD2 TYR A 346 -4.411 1.771 -3.657 1.00 0.00 C ATOM 295 CE1 TYR A 346 -6.337 3.080 -5.097 1.00 0.00 C ATOM 296 CE2 TYR A 346 -5.538 2.183 -3.014 1.00 0.00 C ATOM 297 CZ TYR A 346 -6.516 2.861 -3.778 1.00 0.00 C ATOM 298 OH TYR A 346 -7.633 3.347 -3.222 1.00 0.00 O ATOM 0 H TYR A 346 -1.138 2.340 -4.038 1.00 0.00 H new ATOM 0 HA TYR A 346 -1.111 2.183 -6.866 1.00 0.00 H new ATOM 0 HB2 TYR A 346 -3.306 1.270 -6.862 1.00 0.00 H new ATOM 0 HB3 TYR A 346 -2.550 0.682 -5.394 1.00 0.00 H new ATOM 0 HD1 TYR A 346 -5.115 2.846 -6.775 1.00 0.00 H new ATOM 0 HD2 TYR A 346 -3.644 1.255 -3.099 1.00 0.00 H new ATOM 0 HE1 TYR A 346 -7.099 3.599 -5.660 1.00 0.00 H new ATOM 0 HE2 TYR A 346 -5.680 1.999 -1.959 1.00 0.00 H new ATOM 0 HH TYR A 346 -8.349 3.367 -3.891 1.00 0.00 H new ATOM 308 N GLY A 347 -2.633 4.796 -5.512 1.00 0.00 N ATOM 309 CA GLY A 347 -3.410 6.043 -5.725 1.00 0.00 C ATOM 310 C GLY A 347 -2.863 6.987 -6.774 1.00 0.00 C ATOM 311 O GLY A 347 -3.610 7.631 -7.468 1.00 0.00 O ATOM 0 H GLY A 347 -2.353 4.643 -4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 347 -4.428 5.772 -6.003 1.00 0.00 H new ATOM 0 HA3 GLY A 347 -3.470 6.578 -4.777 1.00 0.00 H new ATOM 315 N CYS A 348 -1.573 7.069 -6.885 1.00 0.00 N ATOM 316 CA CYS A 348 -0.994 7.936 -7.896 1.00 0.00 C ATOM 317 C CYS A 348 0.017 7.146 -8.703 1.00 0.00 C ATOM 318 O CYS A 348 0.534 7.608 -9.708 1.00 0.00 O ATOM 319 CB CYS A 348 -0.359 9.237 -7.277 1.00 0.00 C ATOM 320 SG CYS A 348 1.171 9.056 -6.260 1.00 0.00 S ATOM 0 H CYS A 348 -0.902 6.562 -6.307 1.00 0.00 H new ATOM 0 HA CYS A 348 -1.790 8.282 -8.556 1.00 0.00 H new ATOM 0 HB2 CYS A 348 -0.137 9.922 -8.095 1.00 0.00 H new ATOM 0 HB3 CYS A 348 -1.117 9.716 -6.657 1.00 0.00 H new ATOM 0 HG CYS A 348 1.060 8.014 -5.491 1.00 0.00 H new ATOM 325 N GLN A 349 0.251 5.908 -8.224 1.00 0.00 N ATOM 326 CA GLN A 349 1.312 5.016 -8.683 1.00 0.00 C ATOM 327 C GLN A 349 2.622 5.723 -8.486 1.00 0.00 C ATOM 328 O GLN A 349 3.550 5.649 -9.267 1.00 0.00 O ATOM 329 CB GLN A 349 1.047 4.486 -10.083 1.00 0.00 C ATOM 330 CG GLN A 349 -0.278 3.725 -10.105 1.00 0.00 C ATOM 331 CD GLN A 349 -0.618 3.022 -11.390 1.00 0.00 C ATOM 332 OE1 GLN A 349 -1.789 2.927 -11.759 1.00 0.00 O ATOM 333 NE2 GLN A 349 0.343 2.441 -12.024 1.00 0.00 N ATOM 0 H GLN A 349 -0.317 5.497 -7.483 1.00 0.00 H new ATOM 0 HA GLN A 349 1.348 4.102 -8.090 1.00 0.00 H new ATOM 0 HB2 GLN A 349 1.015 5.311 -10.794 1.00 0.00 H new ATOM 0 HB3 GLN A 349 1.860 3.829 -10.393 1.00 0.00 H new ATOM 0 HG2 GLN A 349 -0.262 2.986 -9.304 1.00 0.00 H new ATOM 0 HG3 GLN A 349 -1.080 4.427 -9.876 1.00 0.00 H new ATOM 0 HE21 GLN A 349 1.303 2.538 -11.694 1.00 0.00 H new ATOM 0 HE22 GLN A 349 0.143 1.885 -12.855 1.00 0.00 H new ATOM 342 N GLY A 350 2.656 6.354 -7.329 1.00 0.00 N ATOM 343 CA GLY A 350 3.758 7.144 -6.892 1.00 0.00 C ATOM 344 C GLY A 350 4.745 6.319 -6.174 1.00 0.00 C ATOM 345 O GLY A 350 4.457 5.216 -5.857 1.00 0.00 O ATOM 0 H GLY A 350 1.889 6.322 -6.658 1.00 0.00 H new ATOM 0 HA2 GLY A 350 4.232 7.620 -7.750 1.00 0.00 H new ATOM 0 HA3 GLY A 350 3.403 7.942 -6.240 1.00 0.00 H new ATOM 349 N GLU A 351 5.738 6.938 -5.720 1.00 0.00 N ATOM 350 CA GLU A 351 6.946 6.296 -5.273 1.00 0.00 C ATOM 351 C GLU A 351 7.038 6.421 -3.767 1.00 0.00 C ATOM 352 O GLU A 351 6.792 7.492 -3.198 1.00 0.00 O ATOM 353 CB GLU A 351 8.090 7.008 -5.976 1.00 0.00 C ATOM 354 CG GLU A 351 9.463 6.443 -5.787 1.00 0.00 C ATOM 355 CD GLU A 351 10.510 7.304 -6.467 1.00 0.00 C ATOM 356 OE1 GLU A 351 10.158 8.381 -7.010 1.00 0.00 O ATOM 357 OE2 GLU A 351 11.694 6.955 -6.455 1.00 0.00 O ATOM 0 H GLU A 351 5.764 7.954 -5.633 1.00 0.00 H new ATOM 0 HA GLU A 351 6.974 5.232 -5.509 1.00 0.00 H new ATOM 0 HB2 GLU A 351 7.874 7.022 -7.044 1.00 0.00 H new ATOM 0 HB3 GLU A 351 8.101 8.045 -5.639 1.00 0.00 H new ATOM 0 HG2 GLU A 351 9.685 6.369 -4.722 1.00 0.00 H new ATOM 0 HG3 GLU A 351 9.502 5.432 -6.192 1.00 0.00 H new ATOM 364 N LEU A 352 7.323 5.327 -3.127 1.00 0.00 N ATOM 365 CA LEU A 352 7.303 5.264 -1.671 1.00 0.00 C ATOM 366 C LEU A 352 8.710 5.437 -1.102 1.00 0.00 C ATOM 367 O LEU A 352 8.945 5.473 0.091 1.00 0.00 O ATOM 368 CB LEU A 352 6.756 3.927 -1.305 1.00 0.00 C ATOM 369 CG LEU A 352 5.515 3.559 -1.965 1.00 0.00 C ATOM 370 CD1 LEU A 352 4.981 2.318 -1.325 1.00 0.00 C ATOM 371 CD2 LEU A 352 4.526 4.662 -1.998 1.00 0.00 C ATOM 0 H LEU A 352 7.576 4.450 -3.583 1.00 0.00 H new ATOM 0 HA LEU A 352 6.689 6.065 -1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 352 7.507 3.171 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 352 6.596 3.902 -0.227 1.00 0.00 H new ATOM 0 HG LEU A 352 5.723 3.354 -3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 352 4.049 2.030 -1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 352 5.708 1.513 -1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 352 4.796 2.505 -0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 352 3.621 4.324 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 352 4.282 4.962 -0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 352 4.947 5.512 -2.536 1.00 0.00 H new ATOM 383 N LYS A 353 9.603 5.568 -1.996 1.00 0.00 N ATOM 384 CA LYS A 353 11.031 5.626 -1.780 1.00 0.00 C ATOM 385 C LYS A 353 11.502 6.761 -0.857 1.00 0.00 C ATOM 386 O LYS A 353 12.558 6.646 -0.241 1.00 0.00 O ATOM 387 CB LYS A 353 11.737 5.539 -3.115 1.00 0.00 C ATOM 388 CG LYS A 353 11.504 4.171 -3.774 1.00 0.00 C ATOM 389 CD LYS A 353 12.076 4.077 -5.172 1.00 0.00 C ATOM 390 CE LYS A 353 13.588 4.270 -5.230 1.00 0.00 C ATOM 391 NZ LYS A 353 14.345 3.227 -4.506 1.00 0.00 N ATOM 0 H LYS A 353 9.360 5.646 -2.984 1.00 0.00 H new ATOM 0 HA LYS A 353 11.323 4.755 -1.194 1.00 0.00 H new ATOM 0 HB2 LYS A 353 11.376 6.330 -3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 353 12.806 5.702 -2.976 1.00 0.00 H new ATOM 0 HG2 LYS A 353 11.951 3.395 -3.153 1.00 0.00 H new ATOM 0 HG3 LYS A 353 10.433 3.971 -3.812 1.00 0.00 H new ATOM 0 HD2 LYS A 353 11.827 3.103 -5.592 1.00 0.00 H new ATOM 0 HD3 LYS A 353 11.598 4.828 -5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 353 13.905 4.280 -6.273 1.00 0.00 H new ATOM 0 HE3 LYS A 353 13.838 5.245 -4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 353 15.365 3.410 -4.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 353 14.082 3.243 -3.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 353 14.122 2.294 -4.908 1.00 0.00 H new ATOM 405 N ASP A 354 10.729 7.847 -0.801 1.00 0.00 N ATOM 406 CA ASP A 354 11.078 9.078 -0.038 1.00 0.00 C ATOM 407 C ASP A 354 11.455 8.790 1.424 1.00 0.00 C ATOM 408 O ASP A 354 12.386 9.401 1.959 1.00 0.00 O ATOM 409 CB ASP A 354 9.835 9.990 0.019 1.00 0.00 C ATOM 410 CG ASP A 354 10.105 11.355 0.629 1.00 0.00 C ATOM 411 OD1 ASP A 354 10.555 12.272 -0.102 1.00 0.00 O ATOM 412 OD2 ASP A 354 9.846 11.552 1.821 1.00 0.00 O ATOM 0 H ASP A 354 9.833 7.912 -1.283 1.00 0.00 H new ATOM 0 HA ASP A 354 11.929 9.530 -0.548 1.00 0.00 H new ATOM 0 HB2 ASP A 354 9.447 10.124 -0.991 1.00 0.00 H new ATOM 0 HB3 ASP A 354 9.056 9.492 0.596 1.00 0.00 H new ATOM 417 N GLN A 355 10.763 7.855 2.058 1.00 0.00 N ATOM 418 CA GLN A 355 11.019 7.545 3.465 1.00 0.00 C ATOM 419 C GLN A 355 10.433 6.226 3.916 1.00 0.00 C ATOM 420 O GLN A 355 11.119 5.414 4.529 1.00 0.00 O ATOM 421 CB GLN A 355 10.633 8.697 4.426 1.00 0.00 C ATOM 422 CG GLN A 355 9.217 9.213 4.262 1.00 0.00 C ATOM 423 CD GLN A 355 8.846 10.266 5.283 1.00 0.00 C ATOM 424 OE1 GLN A 355 9.324 10.254 6.419 1.00 0.00 O ATOM 425 NE2 GLN A 355 8.065 11.219 4.876 1.00 0.00 N ATOM 0 H GLN A 355 10.024 7.299 1.628 1.00 0.00 H new ATOM 0 HA GLN A 355 12.102 7.434 3.522 1.00 0.00 H new ATOM 0 HB2 GLN A 355 10.763 8.354 5.452 1.00 0.00 H new ATOM 0 HB3 GLN A 355 11.326 9.525 4.276 1.00 0.00 H new ATOM 0 HG2 GLN A 355 9.102 9.630 3.261 1.00 0.00 H new ATOM 0 HG3 GLN A 355 8.521 8.378 4.341 1.00 0.00 H new ATOM 0 HE21 GLN A 355 7.686 11.199 3.929 1.00 0.00 H new ATOM 0 HE22 GLN A 355 7.830 11.989 5.503 1.00 0.00 H new ATOM 434 N HIS A 356 9.157 6.032 3.687 1.00 0.00 N ATOM 435 CA HIS A 356 8.489 4.833 4.143 1.00 0.00 C ATOM 436 C HIS A 356 7.663 4.232 3.076 1.00 0.00 C ATOM 437 O HIS A 356 7.288 4.904 2.134 1.00 0.00 O ATOM 438 CB HIS A 356 7.567 5.083 5.339 1.00 0.00 C ATOM 439 CG HIS A 356 8.221 5.561 6.563 1.00 0.00 C ATOM 440 ND1 HIS A 356 7.872 6.715 7.218 1.00 0.00 N ATOM 441 CD2 HIS A 356 9.203 5.014 7.255 1.00 0.00 C ATOM 442 CE1 HIS A 356 8.638 6.856 8.273 1.00 0.00 C ATOM 443 NE2 HIS A 356 9.457 5.830 8.319 1.00 0.00 N ATOM 0 H HIS A 356 8.558 6.689 3.187 1.00 0.00 H new ATOM 0 HA HIS A 356 9.294 4.160 4.438 1.00 0.00 H new ATOM 0 HB2 HIS A 356 6.812 5.812 5.045 1.00 0.00 H new ATOM 0 HB3 HIS A 356 7.042 4.156 5.569 1.00 0.00 H new ATOM 0 HD2 HIS A 356 9.712 4.090 7.022 1.00 0.00 H new ATOM 0 HE1 HIS A 356 8.602 7.672 8.980 1.00 0.00 H new ATOM 0 HE2 HIS A 356 10.167 5.669 9.033 1.00 0.00 H new ATOM 452 N VAL A 357 7.282 2.996 3.281 1.00 0.00 N ATOM 453 CA VAL A 357 6.376 2.369 2.401 1.00 0.00 C ATOM 454 C VAL A 357 5.244 1.971 3.313 1.00 0.00 C ATOM 455 O VAL A 357 5.467 1.745 4.517 1.00 0.00 O ATOM 456 CB VAL A 357 6.989 1.110 1.711 1.00 0.00 C ATOM 457 CG1 VAL A 357 8.264 1.485 1.063 1.00 0.00 C ATOM 458 CG2 VAL A 357 7.255 -0.004 2.641 1.00 0.00 C ATOM 0 H VAL A 357 7.597 2.416 4.059 1.00 0.00 H new ATOM 0 HA VAL A 357 6.080 3.022 1.580 1.00 0.00 H new ATOM 0 HB VAL A 357 6.249 0.763 0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 357 8.697 0.610 0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 357 8.079 2.258 0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 357 8.956 1.864 1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 357 7.680 -0.844 2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 357 7.959 0.322 3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 357 6.323 -0.314 3.113 1.00 0.00 H new ATOM 468 N TYR A 358 4.080 1.966 2.806 1.00 0.00 N ATOM 469 CA TYR A 358 2.882 1.780 3.600 1.00 0.00 C ATOM 470 C TYR A 358 2.094 0.659 3.148 1.00 0.00 C ATOM 471 O TYR A 358 2.199 0.296 2.020 1.00 0.00 O ATOM 472 CB TYR A 358 2.108 3.066 3.607 1.00 0.00 C ATOM 473 CG TYR A 358 2.896 4.121 4.246 1.00 0.00 C ATOM 474 CD1 TYR A 358 3.181 4.058 5.591 1.00 0.00 C ATOM 475 CD2 TYR A 358 3.403 5.142 3.516 1.00 0.00 C ATOM 476 CE1 TYR A 358 3.959 4.999 6.181 1.00 0.00 C ATOM 477 CE2 TYR A 358 4.165 6.084 4.079 1.00 0.00 C ATOM 478 CZ TYR A 358 4.453 6.021 5.423 1.00 0.00 C ATOM 479 OH TYR A 358 5.232 6.994 6.006 1.00 0.00 O ATOM 0 H TYR A 358 3.901 2.091 1.810 1.00 0.00 H new ATOM 0 HA TYR A 358 3.163 1.531 4.623 1.00 0.00 H new ATOM 0 HB2 TYR A 358 1.858 3.355 2.586 1.00 0.00 H new ATOM 0 HB3 TYR A 358 1.167 2.931 4.140 1.00 0.00 H new ATOM 0 HD1 TYR A 358 2.780 3.249 6.184 1.00 0.00 H new ATOM 0 HD2 TYR A 358 3.188 5.196 2.459 1.00 0.00 H new ATOM 0 HE1 TYR A 358 4.185 4.941 7.236 1.00 0.00 H new ATOM 0 HE2 TYR A 358 4.554 6.894 3.480 1.00 0.00 H new ATOM 0 HH TYR A 358 5.816 6.586 6.679 1.00 0.00 H new ATOM 489 N VAL A 359 1.388 0.019 4.006 1.00 0.00 N ATOM 490 CA VAL A 359 0.546 -1.023 3.493 1.00 0.00 C ATOM 491 C VAL A 359 -0.926 -0.990 4.058 1.00 0.00 C ATOM 492 O VAL A 359 -1.092 -0.821 5.246 1.00 0.00 O ATOM 493 CB VAL A 359 1.328 -2.377 3.780 1.00 0.00 C ATOM 494 CG1 VAL A 359 1.568 -2.570 5.237 1.00 0.00 C ATOM 495 CG2 VAL A 359 0.661 -3.600 3.238 1.00 0.00 C ATOM 0 H VAL A 359 1.365 0.176 5.014 1.00 0.00 H new ATOM 0 HA VAL A 359 0.373 -0.898 2.424 1.00 0.00 H new ATOM 0 HB VAL A 359 2.273 -2.260 3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 359 2.105 -3.505 5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 359 2.162 -1.741 5.621 1.00 0.00 H new ATOM 0 HG13 VAL A 359 0.613 -2.606 5.761 1.00 0.00 H new ATOM 0 HG21 VAL A 359 1.261 -4.478 3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 359 -0.328 -3.703 3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 359 0.564 -3.512 2.156 1.00 0.00 H new ATOM 505 N CYS A 360 -2.036 -1.113 3.144 1.00 0.00 N ATOM 506 CA CYS A 360 -3.406 -1.445 3.675 1.00 0.00 C ATOM 507 C CYS A 360 -3.402 -2.872 4.178 1.00 0.00 C ATOM 508 O CYS A 360 -4.204 -3.283 4.987 1.00 0.00 O ATOM 509 CB CYS A 360 -4.691 -1.298 2.737 1.00 0.00 C ATOM 510 SG CYS A 360 -6.267 -1.648 3.701 1.00 0.00 S ATOM 0 H CYS A 360 -1.977 -0.991 2.133 1.00 0.00 H new ATOM 0 HA CYS A 360 -3.539 -0.666 4.425 1.00 0.00 H new ATOM 0 HB2 CYS A 360 -4.730 -0.291 2.321 1.00 0.00 H new ATOM 0 HB3 CYS A 360 -4.613 -1.987 1.896 1.00 0.00 H new ATOM 0 HG CYS A 360 -5.962 -2.077 4.890 1.00 0.00 H new ATOM 515 N ALA A 361 -2.531 -3.621 3.558 1.00 0.00 N ATOM 516 CA ALA A 361 -2.466 -5.101 3.634 1.00 0.00 C ATOM 517 C ALA A 361 -3.666 -5.761 2.974 1.00 0.00 C ATOM 518 O ALA A 361 -3.795 -6.975 2.997 1.00 0.00 O ATOM 519 CB ALA A 361 -2.357 -5.592 5.050 1.00 0.00 C ATOM 0 H ALA A 361 -1.808 -3.226 2.956 1.00 0.00 H new ATOM 0 HA ALA A 361 -1.563 -5.382 3.092 1.00 0.00 H new ATOM 0 HB1 ALA A 361 -2.312 -6.681 5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 361 -1.452 -5.190 5.506 1.00 0.00 H new ATOM 0 HB3 ALA A 361 -3.227 -5.262 5.618 1.00 0.00 H new ATOM 525 N VAL A 362 -4.537 -4.964 2.359 1.00 0.00 N ATOM 526 CA VAL A 362 -5.756 -5.517 1.806 1.00 0.00 C ATOM 527 C VAL A 362 -6.384 -4.575 0.760 1.00 0.00 C ATOM 528 O VAL A 362 -7.463 -4.790 0.302 1.00 0.00 O ATOM 529 CB VAL A 362 -6.746 -5.862 2.952 1.00 0.00 C ATOM 530 CG1 VAL A 362 -7.561 -4.687 3.466 1.00 0.00 C ATOM 531 CG2 VAL A 362 -7.578 -7.079 2.652 1.00 0.00 C ATOM 0 H VAL A 362 -4.421 -3.958 2.236 1.00 0.00 H new ATOM 0 HA VAL A 362 -5.513 -6.439 1.278 1.00 0.00 H new ATOM 0 HB VAL A 362 -6.109 -6.125 3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 362 -8.223 -5.024 4.264 1.00 0.00 H new ATOM 0 HG12 VAL A 362 -6.890 -3.920 3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 362 -8.156 -4.273 2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 362 -8.252 -7.274 3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 362 -8.161 -6.907 1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 362 -6.925 -7.939 2.505 1.00 0.00 H new ATOM 541 N CYS A 363 -5.691 -3.482 0.458 1.00 0.00 N ATOM 542 CA CYS A 363 -6.073 -2.554 -0.640 1.00 0.00 C ATOM 543 C CYS A 363 -4.834 -2.201 -1.358 1.00 0.00 C ATOM 544 O CYS A 363 -4.075 -1.442 -0.765 1.00 0.00 O ATOM 545 CB CYS A 363 -6.729 -1.342 -0.118 1.00 0.00 C ATOM 546 SG CYS A 363 -8.186 -1.799 0.697 1.00 0.00 S ATOM 0 H CYS A 363 -4.847 -3.201 0.957 1.00 0.00 H new ATOM 0 HA CYS A 363 -6.789 -3.035 -1.306 1.00 0.00 H new ATOM 0 HB2 CYS A 363 -6.062 -0.818 0.567 1.00 0.00 H new ATOM 0 HB3 CYS A 363 -6.953 -0.654 -0.933 1.00 0.00 H new ATOM 0 HG CYS A 363 -8.618 -0.799 1.407 1.00 0.00 H new ATOM 551 N GLN A 364 -4.600 -2.732 -2.678 1.00 0.00 N ATOM 552 CA GLN A 364 -3.222 -2.942 -3.510 1.00 0.00 C ATOM 553 C GLN A 364 -2.057 -3.422 -2.604 1.00 0.00 C ATOM 554 O GLN A 364 -1.042 -3.915 -3.007 1.00 0.00 O ATOM 555 CB GLN A 364 -2.678 -1.689 -4.126 1.00 0.00 C ATOM 556 CG GLN A 364 -2.437 -0.748 -3.031 1.00 0.00 C ATOM 557 CD GLN A 364 -1.557 0.338 -3.259 1.00 0.00 C ATOM 558 OE1 GLN A 364 -0.657 0.245 -4.058 1.00 0.00 O ATOM 559 NE2 GLN A 364 -1.749 1.396 -2.503 1.00 0.00 N ATOM 0 H GLN A 364 -5.395 -3.047 -3.235 1.00 0.00 H new ATOM 0 HA GLN A 364 -3.515 -3.668 -4.268 1.00 0.00 H new ATOM 0 HB2 GLN A 364 -1.755 -1.894 -4.669 1.00 0.00 H new ATOM 0 HB3 GLN A 364 -3.385 -1.273 -4.844 1.00 0.00 H new ATOM 0 HG2 GLN A 364 -3.400 -0.337 -2.728 1.00 0.00 H new ATOM 0 HG3 GLN A 364 -2.052 -1.316 -2.184 1.00 0.00 H new ATOM 0 HE21 GLN A 364 -2.528 1.418 -1.845 1.00 0.00 H new ATOM 0 HE22 GLN A 364 -1.119 2.195 -2.575 1.00 0.00 H new ATOM 568 N ASN A 365 -2.319 -3.166 -1.462 1.00 0.00 N ATOM 569 CA ASN A 365 -1.729 -3.321 -0.271 1.00 0.00 C ATOM 570 C ASN A 365 -0.664 -2.220 0.032 1.00 0.00 C ATOM 571 O ASN A 365 -0.453 -2.014 1.119 1.00 0.00 O ATOM 572 CB ASN A 365 -1.171 -4.720 -0.029 1.00 0.00 C ATOM 573 CG ASN A 365 -2.040 -5.924 -0.432 1.00 0.00 C ATOM 574 OD1 ASN A 365 -1.515 -6.946 -0.809 1.00 0.00 O ATOM 575 ND2 ASN A 365 -3.338 -5.817 -0.378 1.00 0.00 N ATOM 0 H ASN A 365 -3.216 -2.709 -1.298 1.00 0.00 H new ATOM 0 HA ASN A 365 -2.539 -3.193 0.447 1.00 0.00 H new ATOM 0 HB2 ASN A 365 -0.224 -4.799 -0.562 1.00 0.00 H new ATOM 0 HB3 ASN A 365 -0.947 -4.811 1.034 1.00 0.00 H new ATOM 0 HD21 ASN A 365 -3.926 -6.602 -0.656 1.00 0.00 H new ATOM 0 HD22 ASN A 365 -3.765 -4.948 -0.058 1.00 0.00 H new ATOM 582 N VAL A 366 -0.111 -1.397 -0.927 1.00 0.00 N ATOM 583 CA VAL A 366 1.087 -0.527 -0.503 1.00 0.00 C ATOM 584 C VAL A 366 0.981 1.085 -0.790 1.00 0.00 C ATOM 585 O VAL A 366 0.731 1.519 -1.882 1.00 0.00 O ATOM 586 CB VAL A 366 2.336 -1.141 -1.146 1.00 0.00 C ATOM 587 CG1 VAL A 366 3.630 -0.563 -0.631 1.00 0.00 C ATOM 588 CG2 VAL A 366 2.274 -2.639 -1.058 1.00 0.00 C ATOM 0 H VAL A 366 -0.419 -1.307 -1.895 1.00 0.00 H new ATOM 0 HA VAL A 366 1.122 -0.548 0.586 1.00 0.00 H new ATOM 0 HB VAL A 366 2.333 -0.866 -2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 366 4.469 -1.046 -1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 366 3.655 0.508 -0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 366 3.702 -0.733 0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 366 3.165 -3.068 -1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 366 2.224 -2.940 -0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 366 1.388 -2.998 -1.581 1.00 0.00 H new ATOM 598 N PHE A 367 1.327 1.933 0.193 1.00 0.00 N ATOM 599 CA PHE A 367 1.095 3.424 0.156 1.00 0.00 C ATOM 600 C PHE A 367 2.263 4.373 0.246 1.00 0.00 C ATOM 601 O PHE A 367 3.325 4.038 0.713 1.00 0.00 O ATOM 602 CB PHE A 367 0.009 3.899 1.087 1.00 0.00 C ATOM 603 CG PHE A 367 -1.275 3.420 0.703 1.00 0.00 C ATOM 604 CD1 PHE A 367 -1.968 4.127 -0.230 1.00 0.00 C ATOM 605 CD2 PHE A 367 -1.795 2.266 1.236 1.00 0.00 C ATOM 606 CE1 PHE A 367 -3.192 3.686 -0.641 1.00 0.00 C ATOM 607 CE2 PHE A 367 -3.014 1.812 0.837 1.00 0.00 C ATOM 608 CZ PHE A 367 -3.716 2.516 -0.100 1.00 0.00 C ATOM 0 H PHE A 367 1.781 1.621 1.051 1.00 0.00 H new ATOM 0 HA PHE A 367 0.786 3.488 -0.887 1.00 0.00 H new ATOM 0 HB2 PHE A 367 0.231 3.566 2.101 1.00 0.00 H new ATOM 0 HB3 PHE A 367 -0.002 4.989 1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 367 -1.551 5.033 -0.644 1.00 0.00 H new ATOM 0 HD2 PHE A 367 -1.233 1.716 1.976 1.00 0.00 H new ATOM 0 HE1 PHE A 367 -3.750 4.241 -1.381 1.00 0.00 H new ATOM 0 HE2 PHE A 367 -3.422 0.905 1.257 1.00 0.00 H new ATOM 0 HZ PHE A 367 -4.684 2.162 -0.423 1.00 0.00 H new ATOM 618 N CYS A 368 1.964 5.637 -0.216 1.00 0.00 N ATOM 619 CA CYS A 368 2.887 6.810 -0.198 1.00 0.00 C ATOM 620 C CYS A 368 2.639 7.503 1.029 1.00 0.00 C ATOM 621 O CYS A 368 1.534 7.377 1.572 1.00 0.00 O ATOM 622 CB CYS A 368 2.530 7.895 -1.242 1.00 0.00 C ATOM 623 SG CYS A 368 2.732 7.585 -2.946 1.00 0.00 S ATOM 0 H CYS A 368 1.054 5.863 -0.617 1.00 0.00 H new ATOM 0 HA CYS A 368 3.890 6.418 -0.366 1.00 0.00 H new ATOM 0 HB2 CYS A 368 1.485 8.161 -1.085 1.00 0.00 H new ATOM 0 HB3 CYS A 368 3.122 8.778 -1.003 1.00 0.00 H new ATOM 0 HG CYS A 368 1.574 7.334 -3.482 1.00 0.00 H new ATOM 628 N VAL A 369 3.589 8.296 1.447 1.00 0.00 N ATOM 629 CA VAL A 369 3.361 9.070 2.612 1.00 0.00 C ATOM 630 C VAL A 369 2.274 10.105 2.266 1.00 0.00 C ATOM 631 O VAL A 369 1.372 10.377 3.041 1.00 0.00 O ATOM 632 CB VAL A 369 4.675 9.802 3.140 1.00 0.00 C ATOM 633 CG1 VAL A 369 5.824 8.843 3.366 1.00 0.00 C ATOM 634 CG2 VAL A 369 5.148 10.911 2.208 1.00 0.00 C ATOM 0 H VAL A 369 4.501 8.414 1.005 1.00 0.00 H new ATOM 0 HA VAL A 369 3.046 8.410 3.420 1.00 0.00 H new ATOM 0 HB VAL A 369 4.380 10.241 4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 369 6.693 9.394 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 369 5.535 8.098 4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 369 6.072 8.345 2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 369 6.046 11.373 2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 369 5.372 10.491 1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 369 4.365 11.663 2.110 1.00 0.00 H new ATOM 644 N ASP A 370 2.365 10.587 1.022 1.00 0.00 N ATOM 645 CA ASP A 370 1.464 11.594 0.484 1.00 0.00 C ATOM 646 C ASP A 370 0.081 11.037 0.400 1.00 0.00 C ATOM 647 O ASP A 370 -0.884 11.657 0.709 1.00 0.00 O ATOM 648 CB ASP A 370 1.934 12.011 -0.924 1.00 0.00 C ATOM 649 CG ASP A 370 3.290 12.708 -0.957 1.00 0.00 C ATOM 650 OD1 ASP A 370 3.721 13.242 0.061 1.00 0.00 O ATOM 651 OD2 ASP A 370 3.937 12.717 -2.030 1.00 0.00 O ATOM 0 H ASP A 370 3.077 10.281 0.358 1.00 0.00 H new ATOM 0 HA ASP A 370 1.466 12.464 1.140 1.00 0.00 H new ATOM 0 HB2 ASP A 370 1.980 11.124 -1.555 1.00 0.00 H new ATOM 0 HB3 ASP A 370 1.188 12.675 -1.361 1.00 0.00 H new ATOM 656 N CYS A 371 0.038 9.807 -0.026 1.00 0.00 N ATOM 657 CA CYS A 371 -1.198 9.102 -0.210 1.00 0.00 C ATOM 658 C CYS A 371 -2.048 8.723 0.975 1.00 0.00 C ATOM 659 O CYS A 371 -3.182 8.396 0.786 1.00 0.00 O ATOM 660 CB CYS A 371 -1.196 8.145 -1.353 1.00 0.00 C ATOM 661 SG CYS A 371 -0.950 9.045 -2.887 1.00 0.00 S ATOM 0 H CYS A 371 0.868 9.260 -0.257 1.00 0.00 H new ATOM 0 HA CYS A 371 -1.821 9.941 -0.519 1.00 0.00 H new ATOM 0 HB2 CYS A 371 -0.405 7.406 -1.221 1.00 0.00 H new ATOM 0 HB3 CYS A 371 -2.139 7.600 -1.386 1.00 0.00 H new ATOM 0 HG CYS A 371 0.277 8.891 -3.288 1.00 0.00 H new ATOM 666 N ASP A 372 -1.502 8.677 2.159 1.00 0.00 N ATOM 667 CA ASP A 372 -2.325 8.362 3.338 1.00 0.00 C ATOM 668 C ASP A 372 -3.514 9.372 3.513 1.00 0.00 C ATOM 669 O ASP A 372 -4.608 9.004 3.915 1.00 0.00 O ATOM 670 CB ASP A 372 -1.462 8.136 4.591 1.00 0.00 C ATOM 671 CG ASP A 372 -2.253 7.691 5.795 1.00 0.00 C ATOM 672 OD1 ASP A 372 -2.538 6.478 5.925 1.00 0.00 O ATOM 673 OD2 ASP A 372 -2.568 8.533 6.648 1.00 0.00 O ATOM 0 H ASP A 372 -0.515 8.846 2.352 1.00 0.00 H new ATOM 0 HA ASP A 372 -2.815 7.403 3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 372 -0.702 7.387 4.369 1.00 0.00 H new ATOM 0 HB3 ASP A 372 -0.937 9.060 4.832 1.00 0.00 H new ATOM 678 N VAL A 373 -3.250 10.640 3.181 1.00 0.00 N ATOM 679 CA VAL A 373 -4.256 11.760 3.086 1.00 0.00 C ATOM 680 C VAL A 373 -5.370 11.496 2.038 1.00 0.00 C ATOM 681 O VAL A 373 -6.392 12.188 2.026 1.00 0.00 O ATOM 682 CB VAL A 373 -3.649 13.187 2.921 1.00 0.00 C ATOM 683 CG1 VAL A 373 -3.160 13.431 1.516 1.00 0.00 C ATOM 684 CG2 VAL A 373 -4.633 14.268 3.358 1.00 0.00 C ATOM 0 H VAL A 373 -2.304 10.950 2.959 1.00 0.00 H new ATOM 0 HA VAL A 373 -4.721 11.757 4.072 1.00 0.00 H new ATOM 0 HB VAL A 373 -2.782 13.242 3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 373 -2.745 14.436 1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 373 -2.389 12.702 1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 373 -3.992 13.332 0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 373 -4.176 15.249 3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 373 -5.536 14.205 2.750 1.00 0.00 H new ATOM 0 HG23 VAL A 373 -4.891 14.123 4.407 1.00 0.00 H new ATOM 694 N PHE A 374 -5.122 10.526 1.106 1.00 0.00 N ATOM 695 CA PHE A 374 -5.995 10.210 -0.091 1.00 0.00 C ATOM 696 C PHE A 374 -7.407 10.037 0.476 1.00 0.00 C ATOM 697 O PHE A 374 -8.428 10.323 -0.170 1.00 0.00 O ATOM 698 CB PHE A 374 -5.642 8.831 -0.757 1.00 0.00 C ATOM 699 CG PHE A 374 -6.219 8.565 -2.119 1.00 0.00 C ATOM 700 CD1 PHE A 374 -5.545 9.020 -3.237 1.00 0.00 C ATOM 701 CD2 PHE A 374 -7.366 7.864 -2.298 1.00 0.00 C ATOM 702 CE1 PHE A 374 -6.020 8.781 -4.504 1.00 0.00 C ATOM 703 CE2 PHE A 374 -7.850 7.611 -3.571 1.00 0.00 C ATOM 704 CZ PHE A 374 -7.175 8.072 -4.669 1.00 0.00 C ATOM 0 H PHE A 374 -4.298 9.927 1.158 1.00 0.00 H new ATOM 0 HA PHE A 374 -5.873 10.998 -0.834 1.00 0.00 H new ATOM 0 HB2 PHE A 374 -4.557 8.757 -0.828 1.00 0.00 H new ATOM 0 HB3 PHE A 374 -5.973 8.037 -0.088 1.00 0.00 H new ATOM 0 HD1 PHE A 374 -4.627 9.574 -3.112 1.00 0.00 H new ATOM 0 HD2 PHE A 374 -7.908 7.499 -1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 374 -5.483 9.152 -5.364 1.00 0.00 H new ATOM 0 HE2 PHE A 374 -8.763 7.048 -3.698 1.00 0.00 H new ATOM 0 HZ PHE A 374 -7.554 7.876 -5.661 1.00 0.00 H new ATOM 714 N VAL A 375 -7.425 9.567 1.706 1.00 0.00 N ATOM 715 CA VAL A 375 -8.580 9.213 2.418 1.00 0.00 C ATOM 716 C VAL A 375 -8.714 10.016 3.667 1.00 0.00 C ATOM 717 O VAL A 375 -7.758 10.597 4.197 1.00 0.00 O ATOM 718 CB VAL A 375 -8.567 7.764 2.792 1.00 0.00 C ATOM 719 CG1 VAL A 375 -8.510 6.986 1.570 1.00 0.00 C ATOM 720 CG2 VAL A 375 -7.392 7.419 3.701 1.00 0.00 C ATOM 0 H VAL A 375 -6.571 9.423 2.244 1.00 0.00 H new ATOM 0 HA VAL A 375 -9.424 9.414 1.759 1.00 0.00 H new ATOM 0 HB VAL A 375 -9.472 7.532 3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 375 -8.499 5.924 1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 375 -9.383 7.208 0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 375 -7.605 7.240 1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 375 -7.422 6.358 3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 375 -6.457 7.646 3.189 1.00 0.00 H new ATOM 0 HG23 VAL A 375 -7.456 8.006 4.617 1.00 0.00 H new ATOM 730 N HIS A 376 -9.929 10.009 4.103 1.00 0.00 N ATOM 731 CA HIS A 376 -10.505 10.902 5.071 1.00 0.00 C ATOM 732 C HIS A 376 -10.667 12.260 4.435 1.00 0.00 C ATOM 733 O HIS A 376 -10.681 13.307 5.080 1.00 0.00 O ATOM 734 CB HIS A 376 -9.787 10.957 6.418 1.00 0.00 C ATOM 735 CG HIS A 376 -9.647 9.634 7.107 1.00 0.00 C ATOM 736 ND1 HIS A 376 -8.558 8.872 7.319 1.00 0.00 N flip ATOM 737 CD2 HIS A 376 -10.699 8.958 7.690 1.00 0.00 C flip ATOM 738 CE1 HIS A 376 -8.923 7.733 8.033 1.00 0.00 C flip ATOM 739 NE2 HIS A 376 -10.223 7.835 8.232 1.00 0.00 N flip ATOM 0 H HIS A 376 -10.606 9.324 3.768 1.00 0.00 H new ATOM 0 HA HIS A 376 -11.481 10.499 5.343 1.00 0.00 H new ATOM 0 HB2 HIS A 376 -8.794 11.380 6.268 1.00 0.00 H new ATOM 0 HB3 HIS A 376 -10.328 11.638 7.075 1.00 0.00 H new ATOM 0 HD2 HIS A 376 -11.729 9.282 7.705 1.00 0.00 H new ATOM 0 HE1 HIS A 376 -8.275 6.932 8.357 1.00 0.00 H new ATOM 0 HE2 HIS A 376 -10.788 7.149 8.732 1.00 0.00 H new ATOM 747 N ASP A 377 -10.827 12.180 3.153 1.00 0.00 N ATOM 748 CA ASP A 377 -11.225 13.245 2.290 1.00 0.00 C ATOM 749 C ASP A 377 -12.510 12.723 1.644 1.00 0.00 C ATOM 750 O ASP A 377 -13.460 12.413 2.349 1.00 0.00 O ATOM 751 CB ASP A 377 -10.119 13.508 1.232 1.00 0.00 C ATOM 752 CG ASP A 377 -10.414 14.690 0.319 1.00 0.00 C ATOM 753 OD1 ASP A 377 -10.113 15.830 0.684 1.00 0.00 O ATOM 754 OD2 ASP A 377 -10.955 14.477 -0.796 1.00 0.00 O ATOM 0 H ASP A 377 -10.672 11.308 2.647 1.00 0.00 H new ATOM 0 HA ASP A 377 -11.381 14.193 2.805 1.00 0.00 H new ATOM 0 HB2 ASP A 377 -9.173 13.683 1.744 1.00 0.00 H new ATOM 0 HB3 ASP A 377 -9.991 12.613 0.623 1.00 0.00 H new ATOM 759 N SER A 378 -12.524 12.593 0.349 1.00 0.00 N ATOM 760 CA SER A 378 -13.604 11.973 -0.385 1.00 0.00 C ATOM 761 C SER A 378 -13.809 10.487 0.072 1.00 0.00 C ATOM 762 O SER A 378 -14.926 9.980 0.134 1.00 0.00 O ATOM 763 CB SER A 378 -13.256 12.046 -1.874 1.00 0.00 C ATOM 764 OG SER A 378 -12.963 13.398 -2.262 1.00 0.00 O ATOM 0 H SER A 378 -11.766 12.923 -0.248 1.00 0.00 H new ATOM 0 HA SER A 378 -14.541 12.496 -0.192 1.00 0.00 H new ATOM 0 HB2 SER A 378 -12.397 11.408 -2.083 1.00 0.00 H new ATOM 0 HB3 SER A 378 -14.088 11.665 -2.466 1.00 0.00 H new ATOM 0 HG SER A 378 -12.138 13.693 -1.823 1.00 0.00 H new ATOM 770 N LEU A 379 -12.701 9.841 0.407 1.00 0.00 N ATOM 771 CA LEU A 379 -12.638 8.414 0.729 1.00 0.00 C ATOM 772 C LEU A 379 -12.726 8.009 2.176 1.00 0.00 C ATOM 773 O LEU A 379 -12.444 8.797 3.101 1.00 0.00 O ATOM 774 CB LEU A 379 -11.463 7.686 0.170 1.00 0.00 C ATOM 775 CG LEU A 379 -11.285 7.494 -1.301 1.00 0.00 C ATOM 776 CD1 LEU A 379 -10.839 8.770 -1.991 1.00 0.00 C ATOM 777 CD2 LEU A 379 -10.302 6.347 -1.479 1.00 0.00 C ATOM 0 H LEU A 379 -11.794 10.304 0.465 1.00 0.00 H new ATOM 0 HA LEU A 379 -13.564 8.121 0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 379 -10.572 8.200 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 379 -11.463 6.693 0.620 1.00 0.00 H new ATOM 0 HG LEU A 379 -12.233 7.245 -1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 379 -10.722 8.584 -3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 379 -11.588 9.547 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 379 -9.887 9.096 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 379 -10.140 6.169 -2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 379 -9.354 6.603 -1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 379 -10.707 5.446 -1.018 1.00 0.00 H new ATOM 789 N HIS A 380 -13.189 6.768 2.305 1.00 0.00 N ATOM 790 CA HIS A 380 -13.179 5.893 3.503 1.00 0.00 C ATOM 791 C HIS A 380 -11.821 5.867 4.308 1.00 0.00 C ATOM 792 O HIS A 380 -10.919 6.642 4.055 1.00 0.00 O ATOM 793 CB HIS A 380 -13.589 4.442 3.053 1.00 0.00 C ATOM 794 CG HIS A 380 -13.159 4.014 1.619 1.00 0.00 C ATOM 795 ND1 HIS A 380 -12.002 3.458 1.118 1.00 0.00 N flip ATOM 796 CD2 HIS A 380 -13.991 4.131 0.527 1.00 0.00 C flip ATOM 797 CE1 HIS A 380 -12.146 3.231 -0.245 1.00 0.00 C flip ATOM 798 NE2 HIS A 380 -13.358 3.658 -0.548 1.00 0.00 N flip ATOM 0 H HIS A 380 -13.621 6.296 1.511 1.00 0.00 H new ATOM 0 HA HIS A 380 -13.895 6.314 4.208 1.00 0.00 H new ATOM 0 HB2 HIS A 380 -13.165 3.732 3.763 1.00 0.00 H new ATOM 0 HB3 HIS A 380 -14.673 4.356 3.125 1.00 0.00 H new ATOM 0 HD1 HIS A 380 -11.167 3.246 1.664 1.00 0.00 H new ATOM 0 HD2 HIS A 380 -14.991 4.539 0.539 1.00 0.00 H new ATOM 0 HE1 HIS A 380 -11.419 2.797 -0.916 1.00 0.00 H new ATOM 806 N SER A 381 -11.741 4.970 5.310 1.00 0.00 N ATOM 807 CA SER A 381 -10.605 4.871 6.251 1.00 0.00 C ATOM 808 C SER A 381 -9.223 4.626 5.585 1.00 0.00 C ATOM 809 O SER A 381 -8.210 5.134 6.054 1.00 0.00 O ATOM 810 CB SER A 381 -10.909 3.774 7.267 1.00 0.00 C ATOM 811 OG SER A 381 -12.170 4.016 7.893 1.00 0.00 O ATOM 0 H SER A 381 -12.473 4.284 5.492 1.00 0.00 H new ATOM 0 HA SER A 381 -10.511 5.845 6.731 1.00 0.00 H new ATOM 0 HB2 SER A 381 -10.921 2.803 6.772 1.00 0.00 H new ATOM 0 HB3 SER A 381 -10.122 3.738 8.020 1.00 0.00 H new ATOM 0 HG SER A 381 -12.355 3.305 8.541 1.00 0.00 H new ATOM 817 N CYS A 382 -9.177 3.861 4.532 1.00 0.00 N ATOM 818 CA CYS A 382 -7.930 3.663 3.802 1.00 0.00 C ATOM 819 C CYS A 382 -8.291 3.915 2.409 1.00 0.00 C ATOM 820 O CYS A 382 -9.465 3.976 2.117 1.00 0.00 O ATOM 821 CB CYS A 382 -7.520 2.221 3.812 1.00 0.00 C ATOM 822 SG CYS A 382 -8.444 1.308 2.554 1.00 0.00 S ATOM 0 H CYS A 382 -9.979 3.360 4.150 1.00 0.00 H new ATOM 0 HA CYS A 382 -7.142 4.285 4.227 1.00 0.00 H new ATOM 0 HB2 CYS A 382 -6.450 2.137 3.622 1.00 0.00 H new ATOM 0 HB3 CYS A 382 -7.704 1.789 4.796 1.00 0.00 H new ATOM 0 HG CYS A 382 -7.677 1.085 1.529 1.00 0.00 H new ATOM 827 N PRO A 383 -7.380 4.133 1.512 1.00 0.00 N ATOM 828 CA PRO A 383 -7.732 4.069 0.146 1.00 0.00 C ATOM 829 C PRO A 383 -7.899 2.625 -0.315 1.00 0.00 C ATOM 830 O PRO A 383 -7.104 1.710 0.034 1.00 0.00 O ATOM 831 CB PRO A 383 -6.610 4.755 -0.581 1.00 0.00 C ATOM 832 CG PRO A 383 -5.788 5.352 0.476 1.00 0.00 C ATOM 833 CD PRO A 383 -6.007 4.542 1.708 1.00 0.00 C ATOM 0 HA PRO A 383 -8.690 4.550 -0.050 1.00 0.00 H new ATOM 0 HB2 PRO A 383 -6.034 4.047 -1.178 1.00 0.00 H new ATOM 0 HB3 PRO A 383 -6.988 5.515 -1.265 1.00 0.00 H new ATOM 0 HG2 PRO A 383 -4.735 5.348 0.194 1.00 0.00 H new ATOM 0 HG3 PRO A 383 -6.070 6.392 0.643 1.00 0.00 H new ATOM 0 HD2 PRO A 383 -5.326 3.693 1.773 1.00 0.00 H new ATOM 0 HD3 PRO A 383 -5.874 5.127 2.618 1.00 0.00 H new ATOM 841 N GLY A 384 -8.900 2.426 -1.050 1.00 0.00 N ATOM 842 CA GLY A 384 -9.091 1.198 -1.760 1.00 0.00 C ATOM 843 C GLY A 384 -9.826 0.051 -1.102 1.00 0.00 C ATOM 844 O GLY A 384 -9.794 -1.031 -1.683 1.00 0.00 O ATOM 0 H GLY A 384 -9.641 3.112 -1.195 1.00 0.00 H new ATOM 0 HA2 GLY A 384 -9.621 1.436 -2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 384 -8.105 0.831 -2.044 1.00 0.00 H new ATOM 848 N CYS A 385 -10.456 0.182 0.104 1.00 0.00 N ATOM 849 CA CYS A 385 -11.185 -1.032 0.626 1.00 0.00 C ATOM 850 C CYS A 385 -12.277 -1.502 -0.286 1.00 0.00 C ATOM 851 O CYS A 385 -12.482 -2.695 -0.427 1.00 0.00 O ATOM 852 CB CYS A 385 -11.566 -1.073 2.154 1.00 0.00 C ATOM 853 SG CYS A 385 -10.298 -1.694 3.385 1.00 0.00 S ATOM 0 H CYS A 385 -10.482 1.019 0.686 1.00 0.00 H new ATOM 0 HA CYS A 385 -10.396 -1.784 0.601 1.00 0.00 H new ATOM 0 HB2 CYS A 385 -11.847 -0.063 2.451 1.00 0.00 H new ATOM 0 HB3 CYS A 385 -12.456 -1.694 2.255 1.00 0.00 H new ATOM 0 HG CYS A 385 -9.178 -1.934 2.770 1.00 0.00 H new ATOM 858 N ILE A 386 -12.940 -0.586 -0.921 1.00 0.00 N ATOM 859 CA ILE A 386 -13.853 -0.922 -1.987 1.00 0.00 C ATOM 860 C ILE A 386 -13.139 -1.603 -3.209 1.00 0.00 C ATOM 861 O ILE A 386 -13.657 -2.540 -3.790 1.00 0.00 O ATOM 862 CB ILE A 386 -14.643 0.347 -2.434 1.00 0.00 C ATOM 863 CG1 ILE A 386 -15.417 0.978 -1.259 1.00 0.00 C ATOM 864 CG2 ILE A 386 -15.571 0.066 -3.586 1.00 0.00 C ATOM 865 CD1 ILE A 386 -16.279 0.002 -0.464 1.00 0.00 C ATOM 0 H ILE A 386 -12.870 0.412 -0.722 1.00 0.00 H new ATOM 0 HA ILE A 386 -14.553 -1.660 -1.594 1.00 0.00 H new ATOM 0 HB ILE A 386 -13.899 1.065 -2.779 1.00 0.00 H new ATOM 0 HG12 ILE A 386 -14.703 1.446 -0.581 1.00 0.00 H new ATOM 0 HG13 ILE A 386 -16.055 1.772 -1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 386 -16.098 0.980 -3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 386 -14.994 -0.290 -4.439 1.00 0.00 H new ATOM 0 HG23 ILE A 386 -16.294 -0.696 -3.294 1.00 0.00 H new ATOM 0 HD11 ILE A 386 -16.785 0.535 0.341 1.00 0.00 H new ATOM 0 HD12 ILE A 386 -17.021 -0.448 -1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 386 -15.648 -0.779 -0.041 1.00 0.00 H new