USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 677 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 464 CYS SG : rot -149:sc= 0.167 USER MOD Set 1.2: A 467 CYS SG : rot -126:sc= -1.81 USER MOD Set 1.3: A 469 THR OG1 : rot 115:sc= 0.00861 USER MOD Set 1.4: A 475 CYS SG : rot -96:sc= 0.467 USER MOD Set 1.5: A 479 HIS : no HE2:sc= -0.835 K(o=-2,f=-10!) USER MOD Set 2.1: A 436 CYS SG : rot -168:sc= 1.08 USER MOD Set 2.2: A 439 CYS SG : rot -96:sc= 1.91 USER MOD Set 2.3: A 441 THR OG1 : rot -78:sc= 1.04 USER MOD Set 2.4: A 443 THR OG1 : rot 180:sc= 0 USER MOD Set 2.5: A 454 CYS SG : rot -177:sc= 0.52 USER MOD Set 2.6: A 459 CYS SG : rot -167:sc= 0.711 USER MOD Set 3.1: A 382 CYS SG : rot 148:sc= 0.757 USER MOD Set 3.2: A 385 CYS SG : rot -30:sc= -1.18! USER MOD Set 3.3: A 390 HIS : no HD1:sc= 0.348 K(o=-0.37,f=-9.5!) USER MOD Set 3.4: A 394 CYS SG : rot 174:sc= -0.295 USER MOD Set 4.1: A 353 CYS SG : rot -153:sc= 0.519 USER MOD Set 4.2: A 355 GLN : amide:sc= -0.0363 K(o=1.6,f=0.39) USER MOD Set 4.3: A 358 CYS SG : rot -136:sc= 1.65 USER MOD Set 4.4: A 360 MET CE :methyl -120:sc= -2.43 (180deg=-4.61!) USER MOD Set 4.5: A 373 CYS SG : rot 80:sc= 0.573 USER MOD Set 4.6: A 377 CYS SG : rot -92:sc= 1.29! USER MOD Single : A 368 CYS SG : rot 37:sc= 0.0214 USER MOD Single : A 370 LYS NZ :NH3+ -169:sc= -0.0294 (180deg=-0.209) USER MOD Single : A 372 THR OG1 : rot -11:sc= 0.895 USER MOD Single : A 374 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 375 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 379 TYR OH : rot 180:sc= 0 USER MOD Single : A 384 ASN : amide:sc= -1.34 K(o=-1.3,f=-2.6!) USER MOD Single : A 387 GLN : amide:sc= -0.26 K(o=-0.26,f=-0.99) USER MOD Single : A 389 TYR OH : rot -17:sc= 0.449 USER MOD Single : A 432 SER OG : rot 180:sc= 0 USER MOD Single : A 433 THR OG1 : rot -150:sc= 0.103 USER MOD Single : A 434 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 LYS NZ :NH3+ -165:sc= -0.0599 (180deg=-0.359) USER MOD Single : A 449 CYS SG : rot 180:sc= 0.00213 USER MOD Single : A 450 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 451 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.009) USER MOD Single : A 452 MET CE :methyl -172:sc= -2.22! (180deg=-2.45!) USER MOD Single : A 455 THR OG1 : rot 49:sc= 0.175 USER MOD Single : A 468 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.14) USER MOD Single : A 472 THR OG1 : rot 121:sc= 1.25 USER MOD Single : A 476 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 123 N GLY A 350 45.419 -27.490 -71.185 1.00 0.00 N ATOM 124 CA GLY A 350 46.709 -27.940 -71.618 1.00 0.00 C ATOM 125 C GLY A 350 46.644 -28.569 -72.984 1.00 0.00 C ATOM 126 O GLY A 350 45.872 -29.502 -73.211 1.00 0.00 O ATOM 0 HA2 GLY A 350 47.402 -27.099 -71.636 1.00 0.00 H new ATOM 0 HA3 GLY A 350 47.103 -28.662 -70.902 1.00 0.00 H new ATOM 130 N VAL A 351 47.430 -28.052 -73.893 1.00 0.00 N ATOM 131 CA VAL A 351 47.492 -28.567 -75.238 1.00 0.00 C ATOM 132 C VAL A 351 48.709 -29.498 -75.348 1.00 0.00 C ATOM 133 O VAL A 351 49.539 -29.539 -74.448 1.00 0.00 O ATOM 134 CB VAL A 351 47.553 -27.405 -76.283 1.00 0.00 C ATOM 135 CG1 VAL A 351 48.855 -26.635 -76.196 1.00 0.00 C ATOM 136 CG2 VAL A 351 47.305 -27.904 -77.701 1.00 0.00 C ATOM 0 H VAL A 351 48.048 -27.259 -73.721 1.00 0.00 H new ATOM 0 HA VAL A 351 46.588 -29.134 -75.460 1.00 0.00 H new ATOM 0 HB VAL A 351 46.747 -26.716 -76.032 1.00 0.00 H new ATOM 0 HG11 VAL A 351 48.856 -25.837 -76.939 1.00 0.00 H new ATOM 0 HG12 VAL A 351 48.957 -26.204 -75.200 1.00 0.00 H new ATOM 0 HG13 VAL A 351 49.690 -27.309 -76.387 1.00 0.00 H new ATOM 0 HG21 VAL A 351 47.356 -27.066 -78.396 1.00 0.00 H new ATOM 0 HG22 VAL A 351 48.063 -28.641 -77.965 1.00 0.00 H new ATOM 0 HG23 VAL A 351 46.318 -28.363 -77.758 1.00 0.00 H new ATOM 146 N LEU A 352 48.805 -30.247 -76.412 1.00 0.00 N ATOM 147 CA LEU A 352 49.878 -31.218 -76.562 1.00 0.00 C ATOM 148 C LEU A 352 50.622 -30.997 -77.864 1.00 0.00 C ATOM 149 O LEU A 352 50.025 -30.596 -78.861 1.00 0.00 O ATOM 150 CB LEU A 352 49.323 -32.662 -76.551 1.00 0.00 C ATOM 151 CG LEU A 352 48.668 -33.169 -75.250 1.00 0.00 C ATOM 152 CD1 LEU A 352 49.556 -32.905 -74.049 1.00 0.00 C ATOM 153 CD2 LEU A 352 47.277 -32.575 -75.049 1.00 0.00 C ATOM 0 H LEU A 352 48.155 -30.210 -77.197 1.00 0.00 H new ATOM 0 HA LEU A 352 50.558 -31.083 -75.721 1.00 0.00 H new ATOM 0 HB2 LEU A 352 48.587 -32.744 -77.351 1.00 0.00 H new ATOM 0 HB3 LEU A 352 50.141 -33.338 -76.800 1.00 0.00 H new ATOM 0 HG LEU A 352 48.549 -34.248 -75.347 1.00 0.00 H new ATOM 0 HD11 LEU A 352 49.067 -33.273 -73.147 1.00 0.00 H new ATOM 0 HD12 LEU A 352 50.509 -33.418 -74.181 1.00 0.00 H new ATOM 0 HD13 LEU A 352 49.731 -31.833 -73.955 1.00 0.00 H new ATOM 0 HD21 LEU A 352 46.849 -32.956 -74.122 1.00 0.00 H new ATOM 0 HD22 LEU A 352 47.350 -31.489 -74.995 1.00 0.00 H new ATOM 0 HD23 LEU A 352 46.637 -32.855 -75.886 1.00 0.00 H new ATOM 165 N CYS A 353 51.930 -31.240 -77.847 1.00 0.00 N ATOM 166 CA CYS A 353 52.725 -31.176 -79.067 1.00 0.00 C ATOM 167 C CYS A 353 52.231 -32.247 -80.044 1.00 0.00 C ATOM 168 O CYS A 353 52.072 -33.409 -79.661 1.00 0.00 O ATOM 169 CB CYS A 353 54.216 -31.390 -78.760 1.00 0.00 C ATOM 170 SG CYS A 353 55.318 -31.272 -80.219 1.00 0.00 S ATOM 0 H CYS A 353 52.457 -31.481 -77.008 1.00 0.00 H new ATOM 0 HA CYS A 353 52.611 -30.188 -79.513 1.00 0.00 H new ATOM 0 HB2 CYS A 353 54.531 -30.652 -78.022 1.00 0.00 H new ATOM 0 HB3 CYS A 353 54.343 -32.372 -78.304 1.00 0.00 H new ATOM 0 HG CYS A 353 56.380 -31.995 -80.020 1.00 0.00 H new ATOM 175 N PRO A 354 51.978 -31.875 -81.308 1.00 0.00 N ATOM 176 CA PRO A 354 51.462 -32.801 -82.321 1.00 0.00 C ATOM 177 C PRO A 354 52.488 -33.834 -82.766 1.00 0.00 C ATOM 178 O PRO A 354 52.143 -34.807 -83.438 1.00 0.00 O ATOM 179 CB PRO A 354 51.098 -31.893 -83.508 1.00 0.00 C ATOM 180 CG PRO A 354 51.203 -30.496 -82.997 1.00 0.00 C ATOM 181 CD PRO A 354 52.163 -30.531 -81.851 1.00 0.00 C ATOM 0 HA PRO A 354 50.625 -33.377 -81.925 1.00 0.00 H new ATOM 0 HB2 PRO A 354 51.776 -32.055 -84.346 1.00 0.00 H new ATOM 0 HB3 PRO A 354 50.091 -32.104 -83.867 1.00 0.00 H new ATOM 0 HG2 PRO A 354 51.557 -29.823 -83.778 1.00 0.00 H new ATOM 0 HG3 PRO A 354 50.229 -30.127 -82.675 1.00 0.00 H new ATOM 0 HD2 PRO A 354 53.189 -30.366 -82.179 1.00 0.00 H new ATOM 0 HD3 PRO A 354 51.937 -29.762 -81.112 1.00 0.00 H new ATOM 189 N GLN A 355 53.737 -33.633 -82.400 1.00 0.00 N ATOM 190 CA GLN A 355 54.783 -34.539 -82.822 1.00 0.00 C ATOM 191 C GLN A 355 54.839 -35.766 -81.931 1.00 0.00 C ATOM 192 O GLN A 355 55.031 -35.652 -80.717 1.00 0.00 O ATOM 193 CB GLN A 355 56.134 -33.841 -82.850 1.00 0.00 C ATOM 194 CG GLN A 355 56.190 -32.672 -83.819 1.00 0.00 C ATOM 195 CD GLN A 355 57.598 -32.350 -84.261 1.00 0.00 C ATOM 196 OE1 GLN A 355 58.563 -32.580 -83.533 1.00 0.00 O ATOM 197 NE2 GLN A 355 57.729 -31.819 -85.460 1.00 0.00 N ATOM 0 H GLN A 355 54.050 -32.857 -81.816 1.00 0.00 H new ATOM 0 HA GLN A 355 54.545 -34.864 -83.835 1.00 0.00 H new ATOM 0 HB2 GLN A 355 56.371 -33.484 -81.848 1.00 0.00 H new ATOM 0 HB3 GLN A 355 56.903 -34.565 -83.121 1.00 0.00 H new ATOM 0 HG2 GLN A 355 55.582 -32.901 -84.694 1.00 0.00 H new ATOM 0 HG3 GLN A 355 55.751 -31.793 -83.347 1.00 0.00 H new ATOM 0 HE21 GLN A 355 56.904 -31.644 -86.033 1.00 0.00 H new ATOM 0 HE22 GLN A 355 58.656 -31.583 -85.815 1.00 0.00 H new ATOM 206 N PRO A 356 54.641 -36.961 -82.517 1.00 0.00 N ATOM 207 CA PRO A 356 54.714 -38.218 -81.781 1.00 0.00 C ATOM 208 C PRO A 356 56.059 -38.373 -81.095 1.00 0.00 C ATOM 209 O PRO A 356 57.114 -38.213 -81.718 1.00 0.00 O ATOM 210 CB PRO A 356 54.537 -39.282 -82.864 1.00 0.00 C ATOM 211 CG PRO A 356 53.808 -38.585 -83.953 1.00 0.00 C ATOM 212 CD PRO A 356 54.316 -37.176 -83.937 1.00 0.00 C ATOM 0 HA PRO A 356 53.966 -38.284 -80.991 1.00 0.00 H new ATOM 0 HB2 PRO A 356 55.499 -39.661 -83.209 1.00 0.00 H new ATOM 0 HB3 PRO A 356 53.972 -40.137 -82.492 1.00 0.00 H new ATOM 0 HG2 PRO A 356 53.995 -39.059 -84.917 1.00 0.00 H new ATOM 0 HG3 PRO A 356 52.731 -38.616 -83.787 1.00 0.00 H new ATOM 0 HD2 PRO A 356 55.191 -37.055 -84.575 1.00 0.00 H new ATOM 0 HD3 PRO A 356 53.564 -36.471 -84.291 1.00 0.00 H new ATOM 220 N GLY A 357 56.023 -38.676 -79.822 1.00 0.00 N ATOM 221 CA GLY A 357 57.235 -38.773 -79.047 1.00 0.00 C ATOM 222 C GLY A 357 57.252 -37.723 -77.975 1.00 0.00 C ATOM 223 O GLY A 357 57.970 -37.833 -76.977 1.00 0.00 O ATOM 0 H GLY A 357 55.167 -38.860 -79.299 1.00 0.00 H new ATOM 0 HA2 GLY A 357 57.309 -39.763 -78.597 1.00 0.00 H new ATOM 0 HA3 GLY A 357 58.101 -38.653 -79.697 1.00 0.00 H new ATOM 227 N CYS A 358 56.474 -36.682 -78.195 1.00 0.00 N ATOM 228 CA CYS A 358 56.316 -35.634 -77.238 1.00 0.00 C ATOM 229 C CYS A 358 55.144 -35.939 -76.321 1.00 0.00 C ATOM 230 O CYS A 358 55.288 -36.706 -75.368 1.00 0.00 O ATOM 231 CB CYS A 358 56.128 -34.296 -77.951 1.00 0.00 C ATOM 232 SG CYS A 358 57.666 -33.576 -78.596 1.00 0.00 S ATOM 0 H CYS A 358 55.936 -36.550 -79.051 1.00 0.00 H new ATOM 0 HA CYS A 358 57.216 -35.566 -76.626 1.00 0.00 H new ATOM 0 HB2 CYS A 358 55.429 -34.431 -78.776 1.00 0.00 H new ATOM 0 HB3 CYS A 358 55.671 -33.589 -77.259 1.00 0.00 H new ATOM 0 HG CYS A 358 57.700 -32.306 -78.320 1.00 0.00 H new ATOM 237 N GLY A 359 53.981 -35.366 -76.633 1.00 0.00 N ATOM 238 CA GLY A 359 52.786 -35.578 -75.822 1.00 0.00 C ATOM 239 C GLY A 359 53.017 -35.268 -74.356 1.00 0.00 C ATOM 240 O GLY A 359 52.396 -35.864 -73.485 1.00 0.00 O ATOM 0 H GLY A 359 53.843 -34.755 -77.438 1.00 0.00 H new ATOM 0 HA2 GLY A 359 51.978 -34.951 -76.200 1.00 0.00 H new ATOM 0 HA3 GLY A 359 52.460 -36.613 -75.924 1.00 0.00 H new ATOM 244 N MET A 360 53.926 -34.338 -74.095 1.00 0.00 N ATOM 245 CA MET A 360 54.282 -33.959 -72.735 1.00 0.00 C ATOM 246 C MET A 360 53.193 -33.108 -72.122 1.00 0.00 C ATOM 247 O MET A 360 52.515 -33.527 -71.188 1.00 0.00 O ATOM 248 CB MET A 360 55.606 -33.195 -72.737 1.00 0.00 C ATOM 249 CG MET A 360 56.772 -33.983 -73.301 1.00 0.00 C ATOM 250 SD MET A 360 58.110 -32.913 -73.845 1.00 0.00 S ATOM 251 CE MET A 360 57.261 -31.945 -75.096 1.00 0.00 C ATOM 0 H MET A 360 54.435 -33.827 -74.817 1.00 0.00 H new ATOM 0 HA MET A 360 54.393 -34.864 -72.137 1.00 0.00 H new ATOM 0 HB2 MET A 360 55.485 -32.280 -73.317 1.00 0.00 H new ATOM 0 HB3 MET A 360 55.843 -32.896 -71.716 1.00 0.00 H new ATOM 0 HG2 MET A 360 57.144 -34.672 -72.543 1.00 0.00 H new ATOM 0 HG3 MET A 360 56.428 -34.588 -74.140 1.00 0.00 H new ATOM 0 HE1 MET A 360 57.750 -32.087 -76.060 1.00 0.00 H new ATOM 0 HE2 MET A 360 56.223 -32.269 -75.164 1.00 0.00 H new ATOM 0 HE3 MET A 360 57.295 -30.890 -74.824 1.00 0.00 H new ATOM 261 N GLY A 361 53.024 -31.917 -72.654 1.00 0.00 N ATOM 262 CA GLY A 361 52.000 -31.045 -72.164 1.00 0.00 C ATOM 263 C GLY A 361 52.390 -29.598 -72.251 1.00 0.00 C ATOM 264 O GLY A 361 53.394 -29.173 -71.679 1.00 0.00 O ATOM 0 H GLY A 361 53.582 -31.540 -73.420 1.00 0.00 H new ATOM 0 HA2 GLY A 361 51.085 -31.207 -72.734 1.00 0.00 H new ATOM 0 HA3 GLY A 361 51.778 -31.297 -71.127 1.00 0.00 H new ATOM 268 N LEU A 362 51.611 -28.856 -72.987 1.00 0.00 N ATOM 269 CA LEU A 362 51.816 -27.446 -73.168 1.00 0.00 C ATOM 270 C LEU A 362 50.710 -26.686 -72.466 1.00 0.00 C ATOM 271 O LEU A 362 49.539 -26.812 -72.808 1.00 0.00 O ATOM 272 CB LEU A 362 51.840 -27.107 -74.657 1.00 0.00 C ATOM 273 CG LEU A 362 53.186 -27.276 -75.393 1.00 0.00 C ATOM 274 CD1 LEU A 362 54.280 -26.454 -74.731 1.00 0.00 C ATOM 275 CD2 LEU A 362 53.591 -28.744 -75.482 1.00 0.00 C ATOM 0 H LEU A 362 50.801 -29.221 -73.487 1.00 0.00 H new ATOM 0 HA LEU A 362 52.775 -27.158 -72.737 1.00 0.00 H new ATOM 0 HB2 LEU A 362 51.099 -27.730 -75.158 1.00 0.00 H new ATOM 0 HB3 LEU A 362 51.518 -26.072 -74.774 1.00 0.00 H new ATOM 0 HG LEU A 362 53.052 -26.905 -76.409 1.00 0.00 H new ATOM 0 HD11 LEU A 362 55.217 -26.593 -75.271 1.00 0.00 H new ATOM 0 HD12 LEU A 362 54.004 -25.400 -74.748 1.00 0.00 H new ATOM 0 HD13 LEU A 362 54.405 -26.779 -73.698 1.00 0.00 H new ATOM 0 HD21 LEU A 362 54.543 -28.828 -76.006 1.00 0.00 H new ATOM 0 HD22 LEU A 362 53.692 -29.155 -74.478 1.00 0.00 H new ATOM 0 HD23 LEU A 362 52.827 -29.300 -76.026 1.00 0.00 H new ATOM 287 N LEU A 363 51.086 -25.915 -71.489 1.00 0.00 N ATOM 288 CA LEU A 363 50.129 -25.178 -70.675 1.00 0.00 C ATOM 289 C LEU A 363 49.505 -24.057 -71.494 1.00 0.00 C ATOM 290 O LEU A 363 50.210 -23.192 -72.020 1.00 0.00 O ATOM 291 CB LEU A 363 50.828 -24.618 -69.420 1.00 0.00 C ATOM 292 CG LEU A 363 49.932 -24.296 -68.199 1.00 0.00 C ATOM 293 CD1 LEU A 363 49.046 -23.086 -68.455 1.00 0.00 C ATOM 294 CD2 LEU A 363 49.087 -25.506 -67.816 1.00 0.00 C ATOM 0 H LEU A 363 52.060 -25.771 -71.224 1.00 0.00 H new ATOM 0 HA LEU A 363 49.334 -25.852 -70.354 1.00 0.00 H new ATOM 0 HB2 LEU A 363 51.584 -25.337 -69.105 1.00 0.00 H new ATOM 0 HB3 LEU A 363 51.354 -23.706 -69.704 1.00 0.00 H new ATOM 0 HG LEU A 363 50.591 -24.052 -67.366 1.00 0.00 H new ATOM 0 HD11 LEU A 363 48.432 -22.892 -67.575 1.00 0.00 H new ATOM 0 HD12 LEU A 363 49.669 -22.216 -68.662 1.00 0.00 H new ATOM 0 HD13 LEU A 363 48.401 -23.282 -69.311 1.00 0.00 H new ATOM 0 HD21 LEU A 363 48.465 -25.258 -66.956 1.00 0.00 H new ATOM 0 HD22 LEU A 363 48.451 -25.786 -68.655 1.00 0.00 H new ATOM 0 HD23 LEU A 363 49.741 -26.341 -67.562 1.00 0.00 H new ATOM 306 N VAL A 364 48.188 -24.076 -71.603 1.00 0.00 N ATOM 307 CA VAL A 364 47.491 -23.076 -72.378 1.00 0.00 C ATOM 308 C VAL A 364 47.213 -21.840 -71.541 1.00 0.00 C ATOM 309 O VAL A 364 46.284 -21.817 -70.724 1.00 0.00 O ATOM 310 CB VAL A 364 46.163 -23.611 -72.966 1.00 0.00 C ATOM 311 CG1 VAL A 364 45.473 -22.542 -73.807 1.00 0.00 C ATOM 312 CG2 VAL A 364 46.411 -24.858 -73.793 1.00 0.00 C ATOM 0 H VAL A 364 47.585 -24.772 -71.165 1.00 0.00 H new ATOM 0 HA VAL A 364 48.146 -22.813 -73.208 1.00 0.00 H new ATOM 0 HB VAL A 364 45.505 -23.871 -72.137 1.00 0.00 H new ATOM 0 HG11 VAL A 364 44.542 -22.941 -74.210 1.00 0.00 H new ATOM 0 HG12 VAL A 364 45.257 -21.673 -73.185 1.00 0.00 H new ATOM 0 HG13 VAL A 364 46.127 -22.247 -74.628 1.00 0.00 H new ATOM 0 HG21 VAL A 364 45.466 -25.220 -74.198 1.00 0.00 H new ATOM 0 HG22 VAL A 364 47.090 -24.622 -74.612 1.00 0.00 H new ATOM 0 HG23 VAL A 364 46.855 -25.629 -73.164 1.00 0.00 H new ATOM 322 N GLU A 365 48.035 -20.836 -71.727 1.00 0.00 N ATOM 323 CA GLU A 365 47.875 -19.574 -71.040 1.00 0.00 C ATOM 324 C GLU A 365 46.985 -18.647 -71.846 1.00 0.00 C ATOM 325 O GLU A 365 47.132 -18.551 -73.067 1.00 0.00 O ATOM 326 CB GLU A 365 49.239 -18.921 -70.824 1.00 0.00 C ATOM 327 CG GLU A 365 50.022 -19.497 -69.670 1.00 0.00 C ATOM 328 CD GLU A 365 49.553 -18.962 -68.339 1.00 0.00 C ATOM 329 OE1 GLU A 365 48.437 -19.300 -67.908 1.00 0.00 O ATOM 330 OE2 GLU A 365 50.304 -18.189 -67.715 1.00 0.00 O1- ATOM 0 H GLU A 365 48.835 -20.869 -72.359 1.00 0.00 H new ATOM 0 HA GLU A 365 47.409 -19.759 -70.072 1.00 0.00 H new ATOM 0 HB2 GLU A 365 49.828 -19.024 -71.736 1.00 0.00 H new ATOM 0 HB3 GLU A 365 49.096 -17.854 -70.655 1.00 0.00 H new ATOM 0 HG2 GLU A 365 49.929 -20.583 -69.676 1.00 0.00 H new ATOM 0 HG3 GLU A 365 51.079 -19.267 -69.800 1.00 0.00 H new ATOM 337 N PRO A 366 46.036 -17.965 -71.187 1.00 0.00 N ATOM 338 CA PRO A 366 45.155 -16.999 -71.850 1.00 0.00 C ATOM 339 C PRO A 366 45.959 -15.902 -72.548 1.00 0.00 C ATOM 340 O PRO A 366 45.597 -15.439 -73.636 1.00 0.00 O ATOM 341 CB PRO A 366 44.338 -16.404 -70.694 1.00 0.00 C ATOM 342 CG PRO A 366 44.390 -17.436 -69.620 1.00 0.00 C ATOM 343 CD PRO A 366 45.729 -18.103 -69.751 1.00 0.00 C ATOM 0 HA PRO A 366 44.540 -17.460 -72.623 1.00 0.00 H new ATOM 0 HB2 PRO A 366 44.762 -15.459 -70.355 1.00 0.00 H new ATOM 0 HB3 PRO A 366 43.311 -16.201 -70.999 1.00 0.00 H new ATOM 0 HG2 PRO A 366 44.275 -16.981 -68.636 1.00 0.00 H new ATOM 0 HG3 PRO A 366 43.582 -18.158 -69.733 1.00 0.00 H new ATOM 0 HD2 PRO A 366 46.482 -17.619 -69.130 1.00 0.00 H new ATOM 0 HD3 PRO A 366 45.689 -19.149 -69.447 1.00 0.00 H new ATOM 351 N ASP A 367 47.063 -15.509 -71.921 1.00 0.00 N ATOM 352 CA ASP A 367 47.936 -14.472 -72.460 1.00 0.00 C ATOM 353 C ASP A 367 48.818 -15.023 -73.579 1.00 0.00 C ATOM 354 O ASP A 367 49.298 -14.276 -74.435 1.00 0.00 O ATOM 355 CB ASP A 367 48.808 -13.883 -71.345 1.00 0.00 C ATOM 356 CG ASP A 367 49.729 -12.786 -71.835 1.00 0.00 C ATOM 357 OD1 ASP A 367 49.276 -11.624 -71.926 1.00 0.00 O ATOM 358 OD2 ASP A 367 50.903 -13.076 -72.131 1.00 0.00 O1- ATOM 0 H ASP A 367 47.376 -15.897 -71.031 1.00 0.00 H new ATOM 0 HA ASP A 367 47.309 -13.684 -72.877 1.00 0.00 H new ATOM 0 HB2 ASP A 367 48.165 -13.487 -70.559 1.00 0.00 H new ATOM 0 HB3 ASP A 367 49.404 -14.679 -70.898 1.00 0.00 H new ATOM 363 N CYS A 368 49.013 -16.330 -73.580 1.00 0.00 N ATOM 364 CA CYS A 368 49.846 -16.975 -74.578 1.00 0.00 C ATOM 365 C CYS A 368 49.125 -17.064 -75.914 1.00 0.00 C ATOM 366 O CYS A 368 48.102 -17.742 -76.045 1.00 0.00 O ATOM 367 CB CYS A 368 50.270 -18.370 -74.111 1.00 0.00 C ATOM 368 SG CYS A 368 51.213 -19.313 -75.332 1.00 0.00 S ATOM 0 H CYS A 368 48.603 -16.967 -72.897 1.00 0.00 H new ATOM 0 HA CYS A 368 50.740 -16.366 -74.710 1.00 0.00 H new ATOM 0 HB2 CYS A 368 50.869 -18.270 -73.206 1.00 0.00 H new ATOM 0 HB3 CYS A 368 49.378 -18.936 -73.842 1.00 0.00 H new ATOM 0 HG CYS A 368 51.999 -18.511 -75.987 1.00 0.00 H new ATOM 374 N ARG A 369 49.649 -16.362 -76.891 1.00 0.00 N ATOM 375 CA ARG A 369 49.098 -16.372 -78.228 1.00 0.00 C ATOM 376 C ARG A 369 50.081 -16.991 -79.203 1.00 0.00 C ATOM 377 O ARG A 369 49.800 -17.114 -80.390 1.00 0.00 O ATOM 378 CB ARG A 369 48.728 -14.957 -78.659 1.00 0.00 C ATOM 379 CG ARG A 369 47.354 -14.508 -78.188 1.00 0.00 C ATOM 380 CD ARG A 369 46.253 -15.282 -78.897 1.00 0.00 C ATOM 381 NE ARG A 369 46.386 -15.193 -80.354 1.00 0.00 N ATOM 382 CZ ARG A 369 45.594 -15.804 -81.237 1.00 0.00 C ATOM 383 NH1 ARG A 369 44.546 -16.518 -80.828 1.00 0.00 N1+ ATOM 384 NH2 ARG A 369 45.846 -15.685 -82.531 1.00 0.00 N ATOM 0 H ARG A 369 50.470 -15.767 -76.782 1.00 0.00 H new ATOM 0 HA ARG A 369 48.192 -16.979 -78.227 1.00 0.00 H new ATOM 0 HB2 ARG A 369 49.477 -14.264 -78.276 1.00 0.00 H new ATOM 0 HB3 ARG A 369 48.766 -14.898 -79.747 1.00 0.00 H new ATOM 0 HG2 ARG A 369 47.270 -14.653 -77.111 1.00 0.00 H new ATOM 0 HG3 ARG A 369 47.232 -13.441 -78.376 1.00 0.00 H new ATOM 0 HD2 ARG A 369 46.287 -16.328 -78.591 1.00 0.00 H new ATOM 0 HD3 ARG A 369 45.281 -14.893 -78.595 1.00 0.00 H new ATOM 0 HE ARG A 369 47.144 -14.618 -80.722 1.00 0.00 H new ATOM 0 HH11 ARG A 369 44.343 -16.601 -79.832 1.00 0.00 H new ATOM 0 HH12 ARG A 369 43.947 -16.981 -81.511 1.00 0.00 H new ATOM 0 HH21 ARG A 369 46.641 -15.129 -82.847 1.00 0.00 H new ATOM 0 HH22 ARG A 369 45.245 -16.149 -83.212 1.00 0.00 H new ATOM 398 N LYS A 370 51.230 -17.380 -78.685 1.00 0.00 N ATOM 399 CA LYS A 370 52.269 -18.006 -79.475 1.00 0.00 C ATOM 400 C LYS A 370 52.833 -19.178 -78.718 1.00 0.00 C ATOM 401 O LYS A 370 53.491 -19.012 -77.688 1.00 0.00 O ATOM 402 CB LYS A 370 53.371 -16.995 -79.807 1.00 0.00 C ATOM 403 CG LYS A 370 54.513 -17.564 -80.629 1.00 0.00 C ATOM 404 CD LYS A 370 54.039 -18.016 -81.997 1.00 0.00 C ATOM 405 CE LYS A 370 55.169 -18.623 -82.805 1.00 0.00 C ATOM 406 NZ LYS A 370 56.282 -17.665 -83.026 1.00 0.00 N1+ ATOM 0 H LYS A 370 51.469 -17.270 -77.700 1.00 0.00 H new ATOM 0 HA LYS A 370 51.844 -18.360 -80.414 1.00 0.00 H new ATOM 0 HB2 LYS A 370 52.930 -16.159 -80.350 1.00 0.00 H new ATOM 0 HB3 LYS A 370 53.773 -16.594 -78.876 1.00 0.00 H new ATOM 0 HG2 LYS A 370 55.292 -16.810 -80.743 1.00 0.00 H new ATOM 0 HG3 LYS A 370 54.959 -18.406 -80.100 1.00 0.00 H new ATOM 0 HD2 LYS A 370 53.239 -18.747 -81.882 1.00 0.00 H new ATOM 0 HD3 LYS A 370 53.620 -17.167 -82.537 1.00 0.00 H new ATOM 0 HE2 LYS A 370 55.549 -19.505 -82.289 1.00 0.00 H new ATOM 0 HE3 LYS A 370 54.785 -18.958 -83.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 370 56.940 -18.054 -83.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 370 55.899 -16.762 -83.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 370 56.787 -17.508 -82.131 1.00 0.00 H new ATOM 420 N VAL A 371 52.574 -20.365 -79.218 1.00 0.00 N ATOM 421 CA VAL A 371 53.001 -21.561 -78.542 1.00 0.00 C ATOM 422 C VAL A 371 54.171 -22.188 -79.251 1.00 0.00 C ATOM 423 O VAL A 371 54.347 -22.024 -80.467 1.00 0.00 O ATOM 424 CB VAL A 371 51.859 -22.605 -78.439 1.00 0.00 C ATOM 425 CG1 VAL A 371 50.521 -21.937 -78.407 1.00 0.00 C ATOM 426 CG2 VAL A 371 51.921 -23.655 -79.539 1.00 0.00 C ATOM 0 H VAL A 371 52.070 -20.524 -80.090 1.00 0.00 H new ATOM 0 HA VAL A 371 53.295 -21.263 -77.536 1.00 0.00 H new ATOM 0 HB VAL A 371 52.003 -23.133 -77.496 1.00 0.00 H new ATOM 0 HG11 VAL A 371 49.739 -22.693 -78.335 1.00 0.00 H new ATOM 0 HG12 VAL A 371 50.466 -21.274 -77.544 1.00 0.00 H new ATOM 0 HG13 VAL A 371 50.382 -21.357 -79.319 1.00 0.00 H new ATOM 0 HG21 VAL A 371 51.098 -24.359 -79.417 1.00 0.00 H new ATOM 0 HG22 VAL A 371 51.841 -23.169 -80.511 1.00 0.00 H new ATOM 0 HG23 VAL A 371 52.868 -24.190 -79.478 1.00 0.00 H new ATOM 436 N THR A 372 54.987 -22.872 -78.498 1.00 0.00 N ATOM 437 CA THR A 372 56.084 -23.602 -79.047 1.00 0.00 C ATOM 438 C THR A 372 56.447 -24.759 -78.118 1.00 0.00 C ATOM 439 O THR A 372 56.352 -24.622 -76.895 1.00 0.00 O ATOM 440 CB THR A 372 57.319 -22.689 -79.276 1.00 0.00 C ATOM 441 OG1 THR A 372 56.994 -21.668 -80.227 1.00 0.00 O ATOM 442 CG2 THR A 372 58.521 -23.485 -79.777 1.00 0.00 C ATOM 0 H THR A 372 54.905 -22.936 -77.483 1.00 0.00 H new ATOM 0 HA THR A 372 55.780 -23.995 -80.017 1.00 0.00 H new ATOM 0 HB THR A 372 57.585 -22.239 -78.319 1.00 0.00 H new ATOM 0 HG1 THR A 372 56.135 -21.876 -80.650 1.00 0.00 H new ATOM 0 HG21 THR A 372 59.366 -22.813 -79.926 1.00 0.00 H new ATOM 0 HG22 THR A 372 58.787 -24.244 -79.042 1.00 0.00 H new ATOM 0 HG23 THR A 372 58.270 -23.967 -80.722 1.00 0.00 H new ATOM 450 N CYS A 373 56.832 -25.901 -78.691 1.00 0.00 N ATOM 451 CA CYS A 373 57.258 -27.042 -77.889 1.00 0.00 C ATOM 452 C CYS A 373 58.633 -26.769 -77.285 1.00 0.00 C ATOM 453 O CYS A 373 59.642 -27.308 -77.722 1.00 0.00 O ATOM 454 CB CYS A 373 57.290 -28.326 -78.729 1.00 0.00 C ATOM 455 SG CYS A 373 57.609 -29.856 -77.772 1.00 0.00 S ATOM 0 H CYS A 373 56.857 -26.057 -79.699 1.00 0.00 H new ATOM 0 HA CYS A 373 56.536 -27.185 -77.085 1.00 0.00 H new ATOM 0 HB2 CYS A 373 56.337 -28.429 -79.247 1.00 0.00 H new ATOM 0 HB3 CYS A 373 58.059 -28.225 -79.494 1.00 0.00 H new ATOM 0 HG CYS A 373 56.511 -30.244 -77.195 1.00 0.00 H new ATOM 460 N GLN A 374 58.665 -25.887 -76.318 1.00 0.00 N ATOM 461 CA GLN A 374 59.892 -25.541 -75.630 1.00 0.00 C ATOM 462 C GLN A 374 60.150 -26.521 -74.509 1.00 0.00 C ATOM 463 O GLN A 374 61.198 -26.496 -73.871 1.00 0.00 O ATOM 464 CB GLN A 374 59.812 -24.116 -75.093 1.00 0.00 C ATOM 465 CG GLN A 374 59.774 -23.059 -76.180 1.00 0.00 C ATOM 466 CD GLN A 374 59.549 -21.668 -75.633 1.00 0.00 C ATOM 467 OE1 GLN A 374 58.413 -21.208 -75.518 1.00 0.00 O ATOM 468 NE2 GLN A 374 60.623 -20.992 -75.283 1.00 0.00 N ATOM 0 H GLN A 374 57.843 -25.386 -75.982 1.00 0.00 H new ATOM 0 HA GLN A 374 60.722 -25.595 -76.335 1.00 0.00 H new ATOM 0 HB2 GLN A 374 58.921 -24.020 -74.473 1.00 0.00 H new ATOM 0 HB3 GLN A 374 60.671 -23.931 -74.448 1.00 0.00 H new ATOM 0 HG2 GLN A 374 60.712 -23.080 -76.734 1.00 0.00 H new ATOM 0 HG3 GLN A 374 58.981 -23.300 -76.888 1.00 0.00 H new ATOM 0 HE21 GLN A 374 61.547 -21.409 -75.394 1.00 0.00 H new ATOM 0 HE22 GLN A 374 60.531 -20.051 -74.900 1.00 0.00 H new ATOM 477 N ASN A 375 59.185 -27.391 -74.278 1.00 0.00 N ATOM 478 CA ASN A 375 59.292 -28.393 -73.237 1.00 0.00 C ATOM 479 C ASN A 375 59.944 -29.656 -73.768 1.00 0.00 C ATOM 480 O ASN A 375 60.438 -30.479 -72.998 1.00 0.00 O ATOM 481 CB ASN A 375 57.909 -28.731 -72.663 1.00 0.00 C ATOM 482 CG ASN A 375 57.312 -27.605 -71.840 1.00 0.00 C ATOM 483 OD1 ASN A 375 56.618 -26.732 -72.363 1.00 0.00 O ATOM 484 ND2 ASN A 375 57.561 -27.625 -70.545 1.00 0.00 N ATOM 0 H ASN A 375 58.311 -27.423 -74.803 1.00 0.00 H new ATOM 0 HA ASN A 375 59.915 -27.980 -72.443 1.00 0.00 H new ATOM 0 HB2 ASN A 375 57.232 -28.972 -73.482 1.00 0.00 H new ATOM 0 HB3 ASN A 375 57.989 -29.623 -72.042 1.00 0.00 H new ATOM 0 HD21 ASN A 375 57.174 -26.901 -69.940 1.00 0.00 H new ATOM 0 HD22 ASN A 375 58.141 -28.365 -70.148 1.00 0.00 H new ATOM 491 N GLY A 376 59.969 -29.800 -75.086 1.00 0.00 N ATOM 492 CA GLY A 376 60.532 -30.995 -75.673 1.00 0.00 C ATOM 493 C GLY A 376 61.387 -30.715 -76.887 1.00 0.00 C ATOM 494 O GLY A 376 62.601 -30.529 -76.767 1.00 0.00 O ATOM 0 H GLY A 376 59.612 -29.116 -75.753 1.00 0.00 H new ATOM 0 HA2 GLY A 376 61.133 -31.511 -74.924 1.00 0.00 H new ATOM 0 HA3 GLY A 376 59.723 -31.670 -75.954 1.00 0.00 H new ATOM 498 N CYS A 377 60.765 -30.674 -78.056 1.00 0.00 N ATOM 499 CA CYS A 377 61.496 -30.478 -79.302 1.00 0.00 C ATOM 500 C CYS A 377 61.435 -29.025 -79.772 1.00 0.00 C ATOM 501 O CYS A 377 62.058 -28.135 -79.183 1.00 0.00 O ATOM 502 CB CYS A 377 60.958 -31.425 -80.395 1.00 0.00 C ATOM 503 SG CYS A 377 59.169 -31.254 -80.749 1.00 0.00 S ATOM 0 H CYS A 377 59.756 -30.774 -78.169 1.00 0.00 H new ATOM 0 HA CYS A 377 62.543 -30.716 -79.112 1.00 0.00 H new ATOM 0 HB2 CYS A 377 61.514 -31.248 -81.315 1.00 0.00 H new ATOM 0 HB3 CYS A 377 61.158 -32.454 -80.095 1.00 0.00 H new ATOM 0 HG CYS A 377 58.499 -32.093 -80.016 1.00 0.00 H new ATOM 508 N GLY A 378 60.704 -28.808 -80.836 1.00 0.00 N ATOM 509 CA GLY A 378 60.522 -27.496 -81.381 1.00 0.00 C ATOM 510 C GLY A 378 59.492 -27.510 -82.475 1.00 0.00 C ATOM 511 O GLY A 378 59.741 -28.040 -83.561 1.00 0.00 O ATOM 0 H GLY A 378 60.218 -29.544 -81.348 1.00 0.00 H new ATOM 0 HA2 GLY A 378 60.212 -26.810 -80.593 1.00 0.00 H new ATOM 0 HA3 GLY A 378 61.469 -27.125 -81.772 1.00 0.00 H new ATOM 515 N TYR A 379 58.332 -26.956 -82.199 1.00 0.00 N ATOM 516 CA TYR A 379 57.265 -26.910 -83.178 1.00 0.00 C ATOM 517 C TYR A 379 56.265 -25.829 -82.808 1.00 0.00 C ATOM 518 O TYR A 379 56.028 -25.573 -81.622 1.00 0.00 O ATOM 519 CB TYR A 379 56.567 -28.273 -83.279 1.00 0.00 C ATOM 520 CG TYR A 379 55.622 -28.391 -84.454 1.00 0.00 C ATOM 521 CD1 TYR A 379 56.102 -28.364 -85.756 1.00 0.00 C ATOM 522 CD2 TYR A 379 54.257 -28.534 -84.264 1.00 0.00 C ATOM 523 CE1 TYR A 379 55.248 -28.476 -86.834 1.00 0.00 C ATOM 524 CE2 TYR A 379 53.395 -28.647 -85.336 1.00 0.00 C ATOM 525 CZ TYR A 379 53.895 -28.616 -86.618 1.00 0.00 C ATOM 526 OH TYR A 379 53.035 -28.745 -87.692 1.00 0.00 O ATOM 0 H TYR A 379 58.102 -26.529 -81.302 1.00 0.00 H new ATOM 0 HA TYR A 379 57.695 -26.673 -84.151 1.00 0.00 H new ATOM 0 HB2 TYR A 379 57.324 -29.053 -83.354 1.00 0.00 H new ATOM 0 HB3 TYR A 379 56.012 -28.455 -82.359 1.00 0.00 H new ATOM 0 HD1 TYR A 379 57.162 -28.253 -85.928 1.00 0.00 H new ATOM 0 HD2 TYR A 379 53.861 -28.557 -83.260 1.00 0.00 H new ATOM 0 HE1 TYR A 379 55.638 -28.454 -87.841 1.00 0.00 H new ATOM 0 HE2 TYR A 379 52.334 -28.759 -85.170 1.00 0.00 H new ATOM 0 HH TYR A 379 52.115 -28.835 -87.366 1.00 0.00 H new ATOM 536 N VAL A 380 55.697 -25.192 -83.814 1.00 0.00 N ATOM 537 CA VAL A 380 54.718 -24.148 -83.603 1.00 0.00 C ATOM 538 C VAL A 380 53.326 -24.628 -84.016 1.00 0.00 C ATOM 539 O VAL A 380 53.067 -24.891 -85.193 1.00 0.00 O ATOM 540 CB VAL A 380 55.082 -22.863 -84.388 1.00 0.00 C ATOM 541 CG1 VAL A 380 54.055 -21.771 -84.148 1.00 0.00 C ATOM 542 CG2 VAL A 380 56.474 -22.376 -84.003 1.00 0.00 C ATOM 0 H VAL A 380 55.901 -25.384 -84.795 1.00 0.00 H new ATOM 0 HA VAL A 380 54.716 -23.910 -82.539 1.00 0.00 H new ATOM 0 HB VAL A 380 55.080 -23.105 -85.451 1.00 0.00 H new ATOM 0 HG11 VAL A 380 54.334 -20.880 -84.710 1.00 0.00 H new ATOM 0 HG12 VAL A 380 53.074 -22.115 -84.476 1.00 0.00 H new ATOM 0 HG13 VAL A 380 54.019 -21.533 -83.085 1.00 0.00 H new ATOM 0 HG21 VAL A 380 56.712 -21.473 -84.565 1.00 0.00 H new ATOM 0 HG22 VAL A 380 56.501 -22.157 -82.936 1.00 0.00 H new ATOM 0 HG23 VAL A 380 57.207 -23.150 -84.233 1.00 0.00 H new ATOM 552 N PHE A 381 52.451 -24.756 -83.044 1.00 0.00 N ATOM 553 CA PHE A 381 51.084 -25.194 -83.277 1.00 0.00 C ATOM 554 C PHE A 381 50.108 -24.241 -82.608 1.00 0.00 C ATOM 555 O PHE A 381 50.512 -23.193 -82.112 1.00 0.00 O ATOM 556 CB PHE A 381 50.866 -26.658 -82.830 1.00 0.00 C ATOM 557 CG PHE A 381 51.303 -26.971 -81.425 1.00 0.00 C ATOM 558 CD1 PHE A 381 52.648 -27.142 -81.122 1.00 0.00 C ATOM 559 CD2 PHE A 381 50.374 -27.115 -80.415 1.00 0.00 C ATOM 560 CE1 PHE A 381 53.047 -27.446 -79.840 1.00 0.00 C ATOM 561 CE2 PHE A 381 50.767 -27.423 -79.134 1.00 0.00 C ATOM 562 CZ PHE A 381 52.105 -27.587 -78.845 1.00 0.00 C ATOM 0 H PHE A 381 52.663 -24.560 -82.066 1.00 0.00 H new ATOM 0 HA PHE A 381 50.895 -25.172 -84.350 1.00 0.00 H new ATOM 0 HB2 PHE A 381 49.807 -26.896 -82.925 1.00 0.00 H new ATOM 0 HB3 PHE A 381 51.403 -27.314 -83.515 1.00 0.00 H new ATOM 0 HD1 PHE A 381 53.389 -27.035 -81.901 1.00 0.00 H new ATOM 0 HD2 PHE A 381 49.324 -26.984 -80.634 1.00 0.00 H new ATOM 0 HE1 PHE A 381 54.096 -27.574 -79.615 1.00 0.00 H new ATOM 0 HE2 PHE A 381 50.028 -27.536 -78.355 1.00 0.00 H new ATOM 0 HZ PHE A 381 52.415 -27.826 -77.838 1.00 0.00 H new ATOM 572 N CYS A 382 48.825 -24.566 -82.639 1.00 0.00 N ATOM 573 CA CYS A 382 47.833 -23.688 -82.053 1.00 0.00 C ATOM 574 C CYS A 382 47.786 -23.913 -80.546 1.00 0.00 C ATOM 575 O CYS A 382 48.417 -24.827 -80.036 1.00 0.00 O ATOM 576 CB CYS A 382 46.456 -23.932 -82.685 1.00 0.00 C ATOM 577 SG CYS A 382 45.179 -22.701 -82.245 1.00 0.00 S ATOM 0 H CYS A 382 48.453 -25.419 -83.058 1.00 0.00 H new ATOM 0 HA CYS A 382 48.109 -22.652 -82.248 1.00 0.00 H new ATOM 0 HB2 CYS A 382 46.567 -23.947 -83.769 1.00 0.00 H new ATOM 0 HB3 CYS A 382 46.105 -24.920 -82.387 1.00 0.00 H new ATOM 0 HG CYS A 382 44.357 -22.553 -83.241 1.00 0.00 H new ATOM 582 N ARG A 383 47.054 -23.086 -79.843 1.00 0.00 N ATOM 583 CA ARG A 383 46.965 -23.229 -78.402 1.00 0.00 C ATOM 584 C ARG A 383 45.710 -23.989 -78.021 1.00 0.00 C ATOM 585 O ARG A 383 45.599 -24.511 -76.916 1.00 0.00 O ATOM 586 CB ARG A 383 46.995 -21.864 -77.704 1.00 0.00 C ATOM 587 CG ARG A 383 45.756 -21.007 -77.920 1.00 0.00 C ATOM 588 CD ARG A 383 45.857 -19.706 -77.143 1.00 0.00 C ATOM 589 NE ARG A 383 44.603 -18.950 -77.148 1.00 0.00 N ATOM 590 CZ ARG A 383 44.405 -17.823 -76.455 1.00 0.00 C ATOM 591 NH1 ARG A 383 45.405 -17.277 -75.762 1.00 0.00 N1+ ATOM 592 NH2 ARG A 383 43.217 -17.238 -76.467 1.00 0.00 N ATOM 0 H ARG A 383 46.515 -22.314 -80.234 1.00 0.00 H new ATOM 0 HA ARG A 383 47.834 -23.796 -78.068 1.00 0.00 H new ATOM 0 HB2 ARG A 383 47.128 -22.022 -76.634 1.00 0.00 H new ATOM 0 HB3 ARG A 383 47.867 -21.312 -78.055 1.00 0.00 H new ATOM 0 HG2 ARG A 383 45.637 -20.793 -78.982 1.00 0.00 H new ATOM 0 HG3 ARG A 383 44.869 -21.556 -77.604 1.00 0.00 H new ATOM 0 HD2 ARG A 383 46.142 -19.923 -76.114 1.00 0.00 H new ATOM 0 HD3 ARG A 383 46.649 -19.092 -77.571 1.00 0.00 H new ATOM 0 HE ARG A 383 43.833 -19.305 -77.715 1.00 0.00 H new ATOM 0 HH11 ARG A 383 46.324 -17.719 -75.759 1.00 0.00 H new ATOM 0 HH12 ARG A 383 45.250 -16.418 -75.235 1.00 0.00 H new ATOM 0 HH21 ARG A 383 42.453 -17.647 -77.005 1.00 0.00 H new ATOM 0 HH22 ARG A 383 43.066 -16.379 -75.938 1.00 0.00 H new ATOM 606 N ASN A 384 44.763 -24.038 -78.936 1.00 0.00 N ATOM 607 CA ASN A 384 43.516 -24.735 -78.695 1.00 0.00 C ATOM 608 C ASN A 384 43.504 -26.045 -79.443 1.00 0.00 C ATOM 609 O ASN A 384 42.918 -27.033 -78.995 1.00 0.00 O ATOM 610 CB ASN A 384 42.325 -23.869 -79.110 1.00 0.00 C ATOM 611 CG ASN A 384 40.992 -24.566 -78.898 1.00 0.00 C ATOM 612 OD1 ASN A 384 40.459 -25.207 -79.803 1.00 0.00 O ATOM 613 ND2 ASN A 384 40.447 -24.446 -77.708 1.00 0.00 N ATOM 0 H ASN A 384 44.834 -23.602 -79.856 1.00 0.00 H new ATOM 0 HA ASN A 384 43.431 -24.939 -77.628 1.00 0.00 H new ATOM 0 HB2 ASN A 384 42.340 -22.940 -78.539 1.00 0.00 H new ATOM 0 HB3 ASN A 384 42.426 -23.599 -80.161 1.00 0.00 H new ATOM 0 HD21 ASN A 384 39.552 -24.893 -77.510 1.00 0.00 H new ATOM 0 HD22 ASN A 384 40.919 -23.906 -76.983 1.00 0.00 H new ATOM 620 N CYS A 385 44.169 -26.055 -80.583 1.00 0.00 N ATOM 621 CA CYS A 385 44.221 -27.228 -81.407 1.00 0.00 C ATOM 622 C CYS A 385 45.622 -27.479 -81.914 1.00 0.00 C ATOM 623 O CYS A 385 46.542 -26.727 -81.636 1.00 0.00 O ATOM 624 CB CYS A 385 43.248 -27.104 -82.571 1.00 0.00 C ATOM 625 SG CYS A 385 43.466 -25.626 -83.603 1.00 0.00 S ATOM 0 H CYS A 385 44.681 -25.254 -80.953 1.00 0.00 H new ATOM 0 HA CYS A 385 43.928 -28.081 -80.795 1.00 0.00 H new ATOM 0 HB2 CYS A 385 43.347 -27.987 -83.203 1.00 0.00 H new ATOM 0 HB3 CYS A 385 42.232 -27.106 -82.177 1.00 0.00 H new ATOM 0 HG CYS A 385 43.940 -24.657 -82.878 1.00 0.00 H new ATOM 630 N LEU A 386 45.769 -28.526 -82.671 1.00 0.00 N ATOM 631 CA LEU A 386 47.056 -28.911 -83.201 1.00 0.00 C ATOM 632 C LEU A 386 47.115 -28.649 -84.700 1.00 0.00 C ATOM 633 O LEU A 386 47.820 -29.339 -85.436 1.00 0.00 O ATOM 634 CB LEU A 386 47.306 -30.391 -82.908 1.00 0.00 C ATOM 635 CG LEU A 386 47.823 -30.739 -81.494 1.00 0.00 C ATOM 636 CD1 LEU A 386 46.867 -30.257 -80.416 1.00 0.00 C ATOM 637 CD2 LEU A 386 48.043 -32.235 -81.366 1.00 0.00 C ATOM 0 H LEU A 386 45.003 -29.142 -82.942 1.00 0.00 H new ATOM 0 HA LEU A 386 47.832 -28.315 -82.721 1.00 0.00 H new ATOM 0 HB2 LEU A 386 46.375 -30.933 -83.073 1.00 0.00 H new ATOM 0 HB3 LEU A 386 48.026 -30.765 -83.636 1.00 0.00 H new ATOM 0 HG LEU A 386 48.773 -30.224 -81.353 1.00 0.00 H new ATOM 0 HD11 LEU A 386 47.263 -30.519 -79.435 1.00 0.00 H new ATOM 0 HD12 LEU A 386 46.756 -29.175 -80.485 1.00 0.00 H new ATOM 0 HD13 LEU A 386 45.895 -30.731 -80.553 1.00 0.00 H new ATOM 0 HD21 LEU A 386 48.407 -32.465 -80.365 1.00 0.00 H new ATOM 0 HD22 LEU A 386 47.102 -32.757 -81.539 1.00 0.00 H new ATOM 0 HD23 LEU A 386 48.778 -32.559 -82.103 1.00 0.00 H new ATOM 649 N GLN A 387 46.398 -27.615 -85.143 1.00 0.00 N ATOM 650 CA GLN A 387 46.348 -27.267 -86.568 1.00 0.00 C ATOM 651 C GLN A 387 47.637 -26.598 -87.044 1.00 0.00 C ATOM 652 O GLN A 387 47.726 -26.146 -88.181 1.00 0.00 O ATOM 653 CB GLN A 387 45.152 -26.364 -86.870 1.00 0.00 C ATOM 654 CG GLN A 387 43.805 -27.003 -86.588 1.00 0.00 C ATOM 655 CD GLN A 387 43.614 -28.328 -87.297 1.00 0.00 C ATOM 656 OE1 GLN A 387 44.161 -28.560 -88.373 1.00 0.00 O ATOM 657 NE2 GLN A 387 42.823 -29.199 -86.704 1.00 0.00 N ATOM 0 H GLN A 387 45.846 -27.005 -84.540 1.00 0.00 H new ATOM 0 HA GLN A 387 46.235 -28.203 -87.115 1.00 0.00 H new ATOM 0 HB2 GLN A 387 45.240 -25.453 -86.279 1.00 0.00 H new ATOM 0 HB3 GLN A 387 45.189 -26.069 -87.919 1.00 0.00 H new ATOM 0 HG2 GLN A 387 43.700 -27.154 -85.514 1.00 0.00 H new ATOM 0 HG3 GLN A 387 43.014 -26.318 -86.893 1.00 0.00 H new ATOM 0 HE21 GLN A 387 42.388 -28.967 -85.811 1.00 0.00 H new ATOM 0 HE22 GLN A 387 42.646 -30.105 -87.138 1.00 0.00 H new ATOM 666 N GLY A 388 48.619 -26.512 -86.164 1.00 0.00 N ATOM 667 CA GLY A 388 49.900 -25.967 -86.548 1.00 0.00 C ATOM 668 C GLY A 388 49.934 -24.460 -86.523 1.00 0.00 C ATOM 669 O GLY A 388 50.656 -23.851 -87.308 1.00 0.00 O ATOM 0 H GLY A 388 48.552 -26.810 -85.191 1.00 0.00 H new ATOM 0 HA2 GLY A 388 50.668 -26.353 -85.877 1.00 0.00 H new ATOM 0 HA3 GLY A 388 50.149 -26.313 -87.551 1.00 0.00 H new ATOM 673 N TYR A 389 49.136 -23.861 -85.625 1.00 0.00 N ATOM 674 CA TYR A 389 49.091 -22.399 -85.446 1.00 0.00 C ATOM 675 C TYR A 389 48.385 -21.736 -86.635 1.00 0.00 C ATOM 676 O TYR A 389 48.724 -21.987 -87.794 1.00 0.00 O ATOM 677 CB TYR A 389 50.518 -21.854 -85.264 1.00 0.00 C ATOM 678 CG TYR A 389 50.615 -20.466 -84.688 1.00 0.00 C ATOM 679 CD1 TYR A 389 50.518 -20.252 -83.313 1.00 0.00 C ATOM 680 CD2 TYR A 389 50.833 -19.368 -85.507 1.00 0.00 C ATOM 681 CE1 TYR A 389 50.636 -18.987 -82.786 1.00 0.00 C ATOM 682 CE2 TYR A 389 50.947 -18.099 -84.982 1.00 0.00 C ATOM 683 CZ TYR A 389 50.849 -17.914 -83.624 1.00 0.00 C ATOM 684 OH TYR A 389 50.980 -16.652 -83.098 1.00 0.00 O ATOM 0 H TYR A 389 48.507 -24.372 -85.005 1.00 0.00 H new ATOM 0 HA TYR A 389 48.518 -22.162 -84.550 1.00 0.00 H new ATOM 0 HB2 TYR A 389 51.069 -22.536 -84.616 1.00 0.00 H new ATOM 0 HB3 TYR A 389 51.017 -21.862 -86.233 1.00 0.00 H new ATOM 0 HD1 TYR A 389 50.348 -21.090 -82.654 1.00 0.00 H new ATOM 0 HD2 TYR A 389 50.915 -19.510 -86.574 1.00 0.00 H new ATOM 0 HE1 TYR A 389 50.562 -18.835 -81.719 1.00 0.00 H new ATOM 0 HE2 TYR A 389 51.112 -17.254 -85.634 1.00 0.00 H new ATOM 0 HH TYR A 389 50.634 -16.642 -82.181 1.00 0.00 H new ATOM 694 N HIS A 390 47.392 -20.901 -86.351 1.00 0.00 N ATOM 695 CA HIS A 390 46.617 -20.271 -87.417 1.00 0.00 C ATOM 696 C HIS A 390 45.859 -19.049 -86.917 1.00 0.00 C ATOM 697 O HIS A 390 45.902 -18.710 -85.728 1.00 0.00 O ATOM 698 CB HIS A 390 45.618 -21.282 -88.021 1.00 0.00 C ATOM 699 CG HIS A 390 44.606 -21.806 -87.034 1.00 0.00 C ATOM 700 ND1 HIS A 390 43.311 -21.334 -86.933 1.00 0.00 N ATOM 701 CD2 HIS A 390 44.726 -22.774 -86.090 1.00 0.00 C ATOM 702 CE1 HIS A 390 42.701 -22.012 -85.953 1.00 0.00 C ATOM 703 NE2 HIS A 390 43.517 -22.903 -85.406 1.00 0.00 N ATOM 0 H HIS A 390 47.106 -20.646 -85.406 1.00 0.00 H new ATOM 0 HA HIS A 390 47.322 -19.946 -88.182 1.00 0.00 H new ATOM 0 HB2 HIS A 390 45.091 -20.807 -88.849 1.00 0.00 H new ATOM 0 HB3 HIS A 390 46.174 -22.122 -88.437 1.00 0.00 H new ATOM 0 HD2 HIS A 390 45.617 -23.353 -85.899 1.00 0.00 H new ATOM 0 HE1 HIS A 390 41.677 -21.854 -85.647 1.00 0.00 H new ATOM 0 HE2 HIS A 390 43.305 -23.548 -84.645 1.00 0.00 H new ATOM 711 N ILE A 391 45.157 -18.407 -87.830 1.00 0.00 N ATOM 712 CA ILE A 391 44.334 -17.263 -87.522 1.00 0.00 C ATOM 713 C ILE A 391 42.888 -17.721 -87.386 1.00 0.00 C ATOM 714 O ILE A 391 42.492 -18.714 -88.001 1.00 0.00 O ATOM 715 CB ILE A 391 44.425 -16.196 -88.645 1.00 0.00 C ATOM 716 CG1 ILE A 391 45.885 -15.820 -88.896 1.00 0.00 C ATOM 717 CG2 ILE A 391 43.609 -14.952 -88.287 1.00 0.00 C ATOM 718 CD1 ILE A 391 46.064 -14.779 -89.970 1.00 0.00 C ATOM 0 H ILE A 391 45.144 -18.671 -88.815 1.00 0.00 H new ATOM 0 HA ILE A 391 44.686 -16.817 -86.592 1.00 0.00 H new ATOM 0 HB ILE A 391 44.007 -16.623 -89.557 1.00 0.00 H new ATOM 0 HG12 ILE A 391 46.321 -15.451 -87.968 1.00 0.00 H new ATOM 0 HG13 ILE A 391 46.439 -16.716 -89.174 1.00 0.00 H new ATOM 0 HG21 ILE A 391 43.690 -14.220 -89.091 1.00 0.00 H new ATOM 0 HG22 ILE A 391 42.563 -15.229 -88.152 1.00 0.00 H new ATOM 0 HG23 ILE A 391 43.992 -14.519 -87.363 1.00 0.00 H new ATOM 0 HD11 ILE A 391 47.125 -14.562 -90.093 1.00 0.00 H new ATOM 0 HD12 ILE A 391 45.658 -15.153 -90.910 1.00 0.00 H new ATOM 0 HD13 ILE A 391 45.538 -13.868 -89.685 1.00 0.00 H new ATOM 730 N GLY A 392 42.118 -17.042 -86.564 1.00 0.00 N ATOM 731 CA GLY A 392 40.726 -17.391 -86.423 1.00 0.00 C ATOM 732 C GLY A 392 40.413 -18.009 -85.084 1.00 0.00 C ATOM 733 O GLY A 392 41.210 -17.923 -84.141 1.00 0.00 O ATOM 0 H GLY A 392 42.428 -16.257 -85.992 1.00 0.00 H new ATOM 0 HA2 GLY A 392 40.116 -16.497 -86.557 1.00 0.00 H new ATOM 0 HA3 GLY A 392 40.449 -18.088 -87.214 1.00 0.00 H new ATOM 737 N GLU A 393 39.265 -18.641 -85.003 1.00 0.00 N ATOM 738 CA GLU A 393 38.802 -19.250 -83.773 1.00 0.00 C ATOM 739 C GLU A 393 38.680 -20.759 -83.932 1.00 0.00 C ATOM 740 O GLU A 393 38.420 -21.261 -85.033 1.00 0.00 O ATOM 741 CB GLU A 393 37.448 -18.648 -83.392 1.00 0.00 C ATOM 742 CG GLU A 393 36.372 -18.871 -84.446 1.00 0.00 C ATOM 743 CD GLU A 393 35.280 -17.833 -84.399 1.00 0.00 C ATOM 744 OE1 GLU A 393 35.478 -16.737 -84.973 1.00 0.00 O ATOM 745 OE2 GLU A 393 34.217 -18.102 -83.805 1.00 0.00 O1- ATOM 0 H GLU A 393 38.623 -18.749 -85.788 1.00 0.00 H new ATOM 0 HA GLU A 393 39.526 -19.051 -82.983 1.00 0.00 H new ATOM 0 HB2 GLU A 393 37.118 -19.082 -82.448 1.00 0.00 H new ATOM 0 HB3 GLU A 393 37.568 -17.577 -83.226 1.00 0.00 H new ATOM 0 HG2 GLU A 393 36.832 -18.863 -85.434 1.00 0.00 H new ATOM 0 HG3 GLU A 393 35.933 -19.859 -84.307 1.00 0.00 H new ATOM 752 N CYS A 394 38.882 -21.477 -82.845 1.00 0.00 N ATOM 753 CA CYS A 394 38.753 -22.922 -82.851 1.00 0.00 C ATOM 754 C CYS A 394 37.667 -23.304 -81.864 1.00 0.00 C ATOM 755 O CYS A 394 36.563 -23.687 -82.248 1.00 0.00 O ATOM 756 CB CYS A 394 40.083 -23.564 -82.451 1.00 0.00 C ATOM 757 SG CYS A 394 41.533 -22.549 -82.874 1.00 0.00 S ATOM 0 H CYS A 394 39.138 -21.081 -81.941 1.00 0.00 H new ATOM 0 HA CYS A 394 38.490 -23.275 -83.848 1.00 0.00 H new ATOM 0 HB2 CYS A 394 40.080 -23.749 -81.377 1.00 0.00 H new ATOM 0 HB3 CYS A 394 40.172 -24.533 -82.942 1.00 0.00 H new ATOM 0 HG CYS A 394 42.606 -23.104 -82.393 1.00 0.00 H new ATOM 1275 N VAL A 431 -57.358 -26.656 -44.727 1.00 0.00 N ATOM 1276 CA VAL A 431 -58.459 -26.044 -44.014 1.00 0.00 C ATOM 1277 C VAL A 431 -59.208 -27.126 -43.259 1.00 0.00 C ATOM 1278 O VAL A 431 -60.179 -27.697 -43.763 1.00 0.00 O ATOM 1279 CB VAL A 431 -59.441 -25.292 -44.956 1.00 0.00 C ATOM 1280 CG1 VAL A 431 -60.510 -24.557 -44.149 1.00 0.00 C ATOM 1281 CG2 VAL A 431 -58.690 -24.321 -45.861 1.00 0.00 C ATOM 0 HA VAL A 431 -58.044 -25.303 -43.331 1.00 0.00 H new ATOM 0 HB VAL A 431 -59.936 -26.031 -45.586 1.00 0.00 H new ATOM 0 HG11 VAL A 431 -61.186 -24.038 -44.828 1.00 0.00 H new ATOM 0 HG12 VAL A 431 -61.074 -25.275 -43.554 1.00 0.00 H new ATOM 0 HG13 VAL A 431 -60.033 -23.833 -43.488 1.00 0.00 H new ATOM 0 HG21 VAL A 431 -59.398 -23.807 -46.511 1.00 0.00 H new ATOM 0 HG22 VAL A 431 -58.161 -23.589 -45.250 1.00 0.00 H new ATOM 0 HG23 VAL A 431 -57.973 -24.872 -46.470 1.00 0.00 H new ATOM 1291 N SER A 432 -58.715 -27.452 -42.080 1.00 0.00 N ATOM 1292 CA SER A 432 -59.318 -28.489 -41.269 1.00 0.00 C ATOM 1293 C SER A 432 -60.541 -27.941 -40.548 1.00 0.00 C ATOM 1294 O SER A 432 -61.561 -28.622 -40.414 1.00 0.00 O ATOM 1295 CB SER A 432 -58.296 -29.024 -40.272 1.00 0.00 C ATOM 1296 OG SER A 432 -57.042 -29.248 -40.905 1.00 0.00 O ATOM 0 H SER A 432 -57.895 -27.011 -41.662 1.00 0.00 H new ATOM 0 HA SER A 432 -59.638 -29.310 -41.911 1.00 0.00 H new ATOM 0 HB2 SER A 432 -58.174 -28.314 -39.454 1.00 0.00 H new ATOM 0 HB3 SER A 432 -58.660 -29.954 -39.836 1.00 0.00 H new ATOM 0 HG SER A 432 -56.400 -29.589 -40.248 1.00 0.00 H new ATOM 1302 N THR A 433 -60.433 -26.708 -40.094 1.00 0.00 N ATOM 1303 CA THR A 433 -61.526 -26.034 -39.442 1.00 0.00 C ATOM 1304 C THR A 433 -62.513 -25.513 -40.472 1.00 0.00 C ATOM 1305 O THR A 433 -62.271 -25.605 -41.676 1.00 0.00 O ATOM 1306 CB THR A 433 -61.009 -24.856 -38.609 1.00 0.00 C ATOM 1307 OG1 THR A 433 -59.837 -24.300 -39.232 1.00 0.00 O ATOM 1308 CG2 THR A 433 -60.689 -25.287 -37.190 1.00 0.00 C ATOM 0 H THR A 433 -59.583 -26.150 -40.169 1.00 0.00 H new ATOM 0 HA THR A 433 -62.023 -26.751 -38.788 1.00 0.00 H new ATOM 0 HB THR A 433 -61.791 -24.098 -38.562 1.00 0.00 H new ATOM 0 HG1 THR A 433 -59.251 -23.918 -38.545 1.00 0.00 H new ATOM 0 HG21 THR A 433 -60.324 -24.430 -36.623 1.00 0.00 H new ATOM 0 HG22 THR A 433 -61.589 -25.679 -36.717 1.00 0.00 H new ATOM 0 HG23 THR A 433 -59.923 -26.062 -37.209 1.00 0.00 H new ATOM 1316 N LYS A 434 -63.616 -24.981 -40.011 1.00 0.00 N ATOM 1317 CA LYS A 434 -64.591 -24.405 -40.895 1.00 0.00 C ATOM 1318 C LYS A 434 -64.715 -22.921 -40.609 1.00 0.00 C ATOM 1319 O LYS A 434 -65.084 -22.539 -39.504 1.00 0.00 O ATOM 1320 CB LYS A 434 -65.945 -25.094 -40.717 1.00 0.00 C ATOM 1321 CG LYS A 434 -67.041 -24.580 -41.649 1.00 0.00 C ATOM 1322 CD LYS A 434 -66.746 -24.885 -43.108 1.00 0.00 C ATOM 1323 CE LYS A 434 -66.637 -26.378 -43.355 1.00 0.00 C ATOM 1324 NZ LYS A 434 -66.457 -26.684 -44.789 1.00 0.00 N1+ ATOM 0 H LYS A 434 -63.860 -24.936 -39.022 1.00 0.00 H new ATOM 0 HA LYS A 434 -64.268 -24.548 -41.926 1.00 0.00 H new ATOM 0 HB2 LYS A 434 -65.819 -26.164 -40.880 1.00 0.00 H new ATOM 0 HB3 LYS A 434 -66.272 -24.965 -39.685 1.00 0.00 H new ATOM 0 HG2 LYS A 434 -67.993 -25.032 -41.371 1.00 0.00 H new ATOM 0 HG3 LYS A 434 -67.149 -23.503 -41.520 1.00 0.00 H new ATOM 0 HD2 LYS A 434 -67.535 -24.469 -43.734 1.00 0.00 H new ATOM 0 HD3 LYS A 434 -65.816 -24.398 -43.401 1.00 0.00 H new ATOM 0 HE2 LYS A 434 -65.797 -26.780 -42.789 1.00 0.00 H new ATOM 0 HE3 LYS A 434 -67.535 -26.874 -42.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 -66.387 -27.714 -44.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 -67.271 -26.323 -45.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 -65.586 -26.232 -45.134 1.00 0.00 H new ATOM 1338 N PRO A 435 -64.359 -22.061 -41.577 1.00 0.00 N ATOM 1339 CA PRO A 435 -64.478 -20.617 -41.408 1.00 0.00 C ATOM 1340 C PRO A 435 -65.925 -20.203 -41.177 1.00 0.00 C ATOM 1341 O PRO A 435 -66.812 -20.520 -41.981 1.00 0.00 O ATOM 1342 CB PRO A 435 -63.955 -20.040 -42.733 1.00 0.00 C ATOM 1343 CG PRO A 435 -64.012 -21.172 -43.702 1.00 0.00 C ATOM 1344 CD PRO A 435 -63.803 -22.419 -42.895 1.00 0.00 C ATOM 0 HA PRO A 435 -63.924 -20.258 -40.541 1.00 0.00 H new ATOM 0 HB2 PRO A 435 -64.569 -19.204 -43.068 1.00 0.00 H new ATOM 0 HB3 PRO A 435 -62.937 -19.665 -42.625 1.00 0.00 H new ATOM 0 HG2 PRO A 435 -64.973 -21.197 -44.217 1.00 0.00 H new ATOM 0 HG3 PRO A 435 -63.243 -21.069 -44.467 1.00 0.00 H new ATOM 0 HD2 PRO A 435 -64.320 -23.273 -43.332 1.00 0.00 H new ATOM 0 HD3 PRO A 435 -62.748 -22.684 -42.829 1.00 0.00 H new ATOM 1352 N CYS A 436 -66.159 -19.525 -40.067 1.00 0.00 N ATOM 1353 CA CYS A 436 -67.483 -19.063 -39.707 1.00 0.00 C ATOM 1354 C CYS A 436 -68.063 -18.153 -40.779 1.00 0.00 C ATOM 1355 O CYS A 436 -67.372 -17.280 -41.313 1.00 0.00 O ATOM 1356 CB CYS A 436 -67.437 -18.327 -38.367 1.00 0.00 C ATOM 1357 SG CYS A 436 -69.031 -17.610 -37.847 1.00 0.00 S ATOM 0 H CYS A 436 -65.435 -19.281 -39.392 1.00 0.00 H new ATOM 0 HA CYS A 436 -68.130 -19.936 -39.618 1.00 0.00 H new ATOM 0 HB2 CYS A 436 -67.095 -19.019 -37.597 1.00 0.00 H new ATOM 0 HB3 CYS A 436 -66.697 -17.529 -38.429 1.00 0.00 H new ATOM 0 HG CYS A 436 -68.840 -16.812 -36.839 1.00 0.00 H new ATOM 1362 N PRO A 437 -69.339 -18.343 -41.114 1.00 0.00 N ATOM 1363 CA PRO A 437 -70.027 -17.499 -42.079 1.00 0.00 C ATOM 1364 C PRO A 437 -70.336 -16.114 -41.499 1.00 0.00 C ATOM 1365 O PRO A 437 -70.854 -15.240 -42.194 1.00 0.00 O ATOM 1366 CB PRO A 437 -71.322 -18.265 -42.364 1.00 0.00 C ATOM 1367 CG PRO A 437 -71.563 -19.070 -41.139 1.00 0.00 C ATOM 1368 CD PRO A 437 -70.207 -19.413 -40.588 1.00 0.00 C ATOM 0 HA PRO A 437 -69.428 -17.315 -42.971 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -72.150 -17.584 -42.559 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -71.220 -18.902 -43.242 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -72.147 -18.506 -40.412 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -72.128 -19.973 -41.371 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -70.209 -19.428 -39.498 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -69.876 -20.397 -40.920 1.00 0.00 H new ATOM 1376 N LYS A 438 -70.015 -15.919 -40.226 1.00 0.00 N ATOM 1377 CA LYS A 438 -70.262 -14.651 -39.566 1.00 0.00 C ATOM 1378 C LYS A 438 -68.946 -13.916 -39.282 1.00 0.00 C ATOM 1379 O LYS A 438 -68.659 -12.889 -39.898 1.00 0.00 O ATOM 1380 CB LYS A 438 -71.061 -14.877 -38.267 1.00 0.00 C ATOM 1381 CG LYS A 438 -71.779 -13.638 -37.723 1.00 0.00 C ATOM 1382 CD LYS A 438 -70.828 -12.648 -37.072 1.00 0.00 C ATOM 1383 CE LYS A 438 -71.570 -11.420 -36.562 1.00 0.00 C ATOM 1384 NZ LYS A 438 -72.285 -10.711 -37.655 1.00 0.00 N1+ ATOM 0 H LYS A 438 -69.582 -16.627 -39.632 1.00 0.00 H new ATOM 0 HA LYS A 438 -70.854 -14.022 -40.231 1.00 0.00 H new ATOM 0 HB2 LYS A 438 -71.800 -15.658 -38.445 1.00 0.00 H new ATOM 0 HB3 LYS A 438 -70.381 -15.250 -37.501 1.00 0.00 H new ATOM 0 HG2 LYS A 438 -72.310 -13.144 -38.537 1.00 0.00 H new ATOM 0 HG3 LYS A 438 -72.529 -13.948 -36.995 1.00 0.00 H new ATOM 0 HD2 LYS A 438 -70.308 -13.131 -36.245 1.00 0.00 H new ATOM 0 HD3 LYS A 438 -70.068 -12.343 -37.792 1.00 0.00 H new ATOM 0 HE2 LYS A 438 -72.285 -11.720 -35.796 1.00 0.00 H new ATOM 0 HE3 LYS A 438 -70.863 -10.739 -36.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 -72.560 -9.762 -37.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 -71.660 -10.627 -38.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 -73.136 -11.247 -37.918 1.00 0.00 H new ATOM 1398 N CYS A 439 -68.141 -14.454 -38.370 1.00 0.00 N ATOM 1399 CA CYS A 439 -66.895 -13.797 -37.977 1.00 0.00 C ATOM 1400 C CYS A 439 -65.687 -14.319 -38.752 1.00 0.00 C ATOM 1401 O CYS A 439 -64.566 -13.835 -38.560 1.00 0.00 O ATOM 1402 CB CYS A 439 -66.674 -13.937 -36.473 1.00 0.00 C ATOM 1403 SG CYS A 439 -66.848 -15.627 -35.851 1.00 0.00 S ATOM 0 H CYS A 439 -68.326 -15.336 -37.892 1.00 0.00 H new ATOM 0 HA CYS A 439 -66.995 -12.741 -38.227 1.00 0.00 H new ATOM 0 HB2 CYS A 439 -65.676 -13.573 -36.228 1.00 0.00 H new ATOM 0 HB3 CYS A 439 -67.384 -13.295 -35.952 1.00 0.00 H new ATOM 0 HG CYS A 439 -68.049 -15.796 -35.384 1.00 0.00 H new ATOM 1408 N ARG A 440 -65.918 -15.312 -39.613 1.00 0.00 N ATOM 1409 CA ARG A 440 -64.876 -15.891 -40.459 1.00 0.00 C ATOM 1410 C ARG A 440 -63.760 -16.540 -39.619 1.00 0.00 C ATOM 1411 O ARG A 440 -62.633 -16.717 -40.085 1.00 0.00 O ATOM 1412 CB ARG A 440 -64.303 -14.816 -41.395 1.00 0.00 C ATOM 1413 CG ARG A 440 -63.473 -15.366 -42.536 1.00 0.00 C ATOM 1414 CD ARG A 440 -64.330 -16.122 -43.536 1.00 0.00 C ATOM 1415 NE ARG A 440 -63.532 -16.719 -44.608 1.00 0.00 N ATOM 1416 CZ ARG A 440 -63.988 -16.974 -45.836 1.00 0.00 C ATOM 1417 NH1 ARG A 440 -65.246 -16.691 -46.155 1.00 0.00 N1+ ATOM 1418 NH2 ARG A 440 -63.186 -17.523 -46.741 1.00 0.00 N ATOM 0 H ARG A 440 -66.836 -15.737 -39.743 1.00 0.00 H new ATOM 0 HA ARG A 440 -65.326 -16.680 -41.061 1.00 0.00 H new ATOM 0 HB2 ARG A 440 -65.126 -14.233 -41.807 1.00 0.00 H new ATOM 0 HB3 ARG A 440 -63.689 -14.131 -40.811 1.00 0.00 H new ATOM 0 HG2 ARG A 440 -62.960 -14.548 -43.041 1.00 0.00 H new ATOM 0 HG3 ARG A 440 -62.704 -16.029 -42.141 1.00 0.00 H new ATOM 0 HD2 ARG A 440 -64.884 -16.905 -43.018 1.00 0.00 H new ATOM 0 HD3 ARG A 440 -65.066 -15.443 -43.968 1.00 0.00 H new ATOM 0 HE ARG A 440 -62.561 -16.956 -44.403 1.00 0.00 H new ATOM 0 HH11 ARG A 440 -65.868 -16.277 -45.460 1.00 0.00 H new ATOM 0 HH12 ARG A 440 -65.590 -16.888 -47.095 1.00 0.00 H new ATOM 0 HH21 ARG A 440 -62.222 -17.750 -46.497 1.00 0.00 H new ATOM 0 HH22 ARG A 440 -63.534 -17.718 -47.680 1.00 0.00 H new ATOM 1432 N THR A 441 -64.087 -16.919 -38.402 1.00 0.00 N ATOM 1433 CA THR A 441 -63.118 -17.532 -37.519 1.00 0.00 C ATOM 1434 C THR A 441 -63.035 -19.037 -37.786 1.00 0.00 C ATOM 1435 O THR A 441 -63.935 -19.606 -38.401 1.00 0.00 O ATOM 1436 CB THR A 441 -63.475 -17.265 -36.038 1.00 0.00 C ATOM 1437 OG1 THR A 441 -64.825 -17.656 -35.781 1.00 0.00 O ATOM 1438 CG2 THR A 441 -63.294 -15.791 -35.702 1.00 0.00 C ATOM 0 H THR A 441 -65.019 -16.813 -38.001 1.00 0.00 H new ATOM 0 HA THR A 441 -62.143 -17.086 -37.718 1.00 0.00 H new ATOM 0 HB THR A 441 -62.805 -17.853 -35.411 1.00 0.00 H new ATOM 0 HG1 THR A 441 -65.435 -16.969 -36.122 1.00 0.00 H new ATOM 0 HG21 THR A 441 -63.550 -15.622 -34.656 1.00 0.00 H new ATOM 0 HG22 THR A 441 -62.257 -15.504 -35.873 1.00 0.00 H new ATOM 0 HG23 THR A 441 -63.946 -15.190 -36.336 1.00 0.00 H new ATOM 1446 N PRO A 442 -61.946 -19.697 -37.365 1.00 0.00 N ATOM 1447 CA PRO A 442 -61.779 -21.124 -37.569 1.00 0.00 C ATOM 1448 C PRO A 442 -62.562 -21.939 -36.543 1.00 0.00 C ATOM 1449 O PRO A 442 -62.082 -22.193 -35.437 1.00 0.00 O ATOM 1450 CB PRO A 442 -60.265 -21.356 -37.400 1.00 0.00 C ATOM 1451 CG PRO A 442 -59.670 -20.010 -37.082 1.00 0.00 C ATOM 1452 CD PRO A 442 -60.804 -19.117 -36.668 1.00 0.00 C ATOM 0 HA PRO A 442 -62.153 -21.440 -38.543 1.00 0.00 H new ATOM 0 HB2 PRO A 442 -60.067 -22.069 -36.600 1.00 0.00 H new ATOM 0 HB3 PRO A 442 -59.830 -21.769 -38.310 1.00 0.00 H new ATOM 0 HG2 PRO A 442 -58.933 -20.093 -36.283 1.00 0.00 H new ATOM 0 HG3 PRO A 442 -59.154 -19.601 -37.951 1.00 0.00 H new ATOM 0 HD2 PRO A 442 -60.946 -19.119 -35.587 1.00 0.00 H new ATOM 0 HD3 PRO A 442 -60.633 -18.082 -36.965 1.00 0.00 H new ATOM 1460 N THR A 443 -63.767 -22.320 -36.907 1.00 0.00 N ATOM 1461 CA THR A 443 -64.617 -23.091 -36.031 1.00 0.00 C ATOM 1462 C THR A 443 -64.273 -24.575 -36.135 1.00 0.00 C ATOM 1463 O THR A 443 -64.238 -25.142 -37.235 1.00 0.00 O ATOM 1464 CB THR A 443 -66.100 -22.889 -36.396 1.00 0.00 C ATOM 1465 OG1 THR A 443 -66.348 -21.500 -36.662 1.00 0.00 O ATOM 1466 CG2 THR A 443 -67.004 -23.356 -35.261 1.00 0.00 C ATOM 0 H THR A 443 -64.182 -22.105 -37.814 1.00 0.00 H new ATOM 0 HA THR A 443 -64.451 -22.748 -35.010 1.00 0.00 H new ATOM 0 HB THR A 443 -66.320 -23.480 -37.285 1.00 0.00 H new ATOM 0 HG1 THR A 443 -67.292 -21.375 -36.895 1.00 0.00 H new ATOM 0 HG21 THR A 443 -68.047 -23.204 -35.540 1.00 0.00 H new ATOM 0 HG22 THR A 443 -66.830 -24.415 -35.070 1.00 0.00 H new ATOM 0 HG23 THR A 443 -66.783 -22.783 -34.360 1.00 0.00 H new ATOM 1474 N GLU A 444 -63.997 -25.192 -35.002 1.00 0.00 N ATOM 1475 CA GLU A 444 -63.681 -26.602 -34.964 1.00 0.00 C ATOM 1476 C GLU A 444 -64.876 -27.384 -34.424 1.00 0.00 C ATOM 1477 O GLU A 444 -65.674 -26.854 -33.648 1.00 0.00 O ATOM 1478 CB GLU A 444 -62.435 -26.843 -34.102 1.00 0.00 C ATOM 1479 CG GLU A 444 -61.964 -28.285 -34.083 1.00 0.00 C ATOM 1480 CD GLU A 444 -61.656 -28.812 -35.468 1.00 0.00 C ATOM 1481 OE1 GLU A 444 -60.506 -28.665 -35.920 1.00 0.00 O ATOM 1482 OE2 GLU A 444 -62.569 -29.378 -36.113 1.00 0.00 O1- ATOM 0 H GLU A 444 -63.986 -24.733 -34.091 1.00 0.00 H new ATOM 0 HA GLU A 444 -63.466 -26.950 -35.974 1.00 0.00 H new ATOM 0 HB2 GLU A 444 -61.625 -26.212 -34.469 1.00 0.00 H new ATOM 0 HB3 GLU A 444 -62.647 -26.528 -33.080 1.00 0.00 H new ATOM 0 HG2 GLU A 444 -61.073 -28.365 -33.461 1.00 0.00 H new ATOM 0 HG3 GLU A 444 -62.731 -28.908 -33.623 1.00 0.00 H new ATOM 1489 N ARG A 445 -65.001 -28.630 -34.838 1.00 0.00 N ATOM 1490 CA ARG A 445 -66.117 -29.461 -34.420 1.00 0.00 C ATOM 1491 C ARG A 445 -65.642 -30.695 -33.676 1.00 0.00 C ATOM 1492 O ARG A 445 -64.502 -31.141 -33.838 1.00 0.00 O ATOM 1493 CB ARG A 445 -66.946 -29.901 -35.629 1.00 0.00 C ATOM 1494 CG ARG A 445 -66.154 -30.712 -36.638 1.00 0.00 C ATOM 1495 CD ARG A 445 -67.049 -31.363 -37.674 1.00 0.00 C ATOM 1496 NE ARG A 445 -66.272 -32.156 -38.633 1.00 0.00 N ATOM 1497 CZ ARG A 445 -66.477 -33.452 -38.895 1.00 0.00 C ATOM 1498 NH1 ARG A 445 -67.439 -34.123 -38.265 1.00 0.00 N1+ ATOM 1499 NH2 ARG A 445 -65.719 -34.074 -39.786 1.00 0.00 N ATOM 0 H ARG A 445 -64.342 -29.092 -35.465 1.00 0.00 H new ATOM 0 HA ARG A 445 -66.732 -28.859 -33.751 1.00 0.00 H new ATOM 0 HB2 ARG A 445 -67.794 -30.492 -35.283 1.00 0.00 H new ATOM 0 HB3 ARG A 445 -67.353 -29.018 -36.122 1.00 0.00 H new ATOM 0 HG2 ARG A 445 -65.433 -30.065 -37.137 1.00 0.00 H new ATOM 0 HG3 ARG A 445 -65.584 -31.481 -36.117 1.00 0.00 H new ATOM 0 HD2 ARG A 445 -67.777 -32.003 -37.176 1.00 0.00 H new ATOM 0 HD3 ARG A 445 -67.610 -30.595 -38.206 1.00 0.00 H new ATOM 0 HE ARG A 445 -65.521 -31.685 -39.137 1.00 0.00 H new ATOM 0 HH11 ARG A 445 -68.025 -33.649 -37.578 1.00 0.00 H new ATOM 0 HH12 ARG A 445 -67.590 -35.111 -38.470 1.00 0.00 H new ATOM 0 HH21 ARG A 445 -64.980 -33.565 -40.271 1.00 0.00 H new ATOM 0 HH22 ARG A 445 -65.874 -35.062 -39.987 1.00 0.00 H new ATOM 1513 N ASP A 446 -66.524 -31.241 -32.873 1.00 0.00 N ATOM 1514 CA ASP A 446 -66.260 -32.465 -32.151 1.00 0.00 C ATOM 1515 C ASP A 446 -67.410 -33.424 -32.379 1.00 0.00 C ATOM 1516 O ASP A 446 -68.562 -32.997 -32.519 1.00 0.00 O ATOM 1517 CB ASP A 446 -66.072 -32.197 -30.647 1.00 0.00 C ATOM 1518 CG ASP A 446 -67.330 -31.687 -29.967 1.00 0.00 C ATOM 1519 OD1 ASP A 446 -67.602 -30.467 -30.042 1.00 0.00 O ATOM 1520 OD2 ASP A 446 -68.045 -32.497 -29.341 1.00 0.00 O1- ATOM 0 H ASP A 446 -67.449 -30.848 -32.701 1.00 0.00 H new ATOM 0 HA ASP A 446 -65.333 -32.903 -32.521 1.00 0.00 H new ATOM 0 HB2 ASP A 446 -65.750 -33.117 -30.158 1.00 0.00 H new ATOM 0 HB3 ASP A 446 -65.273 -31.468 -30.512 1.00 0.00 H new ATOM 1525 N GLY A 447 -67.107 -34.703 -32.446 1.00 0.00 N ATOM 1526 CA GLY A 447 -68.136 -35.690 -32.680 1.00 0.00 C ATOM 1527 C GLY A 447 -68.630 -35.674 -34.113 1.00 0.00 C ATOM 1528 O GLY A 447 -67.843 -35.478 -35.046 1.00 0.00 O ATOM 0 H GLY A 447 -66.165 -35.080 -32.343 1.00 0.00 H new ATOM 0 HA2 GLY A 447 -67.748 -36.680 -32.442 1.00 0.00 H new ATOM 0 HA3 GLY A 447 -68.973 -35.506 -32.007 1.00 0.00 H new ATOM 1532 N GLY A 448 -69.924 -35.863 -34.293 1.00 0.00 N ATOM 1533 CA GLY A 448 -70.482 -35.887 -35.625 1.00 0.00 C ATOM 1534 C GLY A 448 -71.953 -35.539 -35.647 1.00 0.00 C ATOM 1535 O GLY A 448 -72.800 -36.410 -35.850 1.00 0.00 O ATOM 0 H GLY A 448 -70.599 -36.000 -33.541 1.00 0.00 H new ATOM 0 HA2 GLY A 448 -69.937 -35.185 -36.256 1.00 0.00 H new ATOM 0 HA3 GLY A 448 -70.341 -36.878 -36.056 1.00 0.00 H new ATOM 1539 N CYS A 449 -72.257 -34.277 -35.429 1.00 0.00 N ATOM 1540 CA CYS A 449 -73.629 -33.802 -35.452 1.00 0.00 C ATOM 1541 C CYS A 449 -73.768 -32.671 -36.464 1.00 0.00 C ATOM 1542 O CYS A 449 -72.779 -32.244 -37.062 1.00 0.00 O ATOM 1543 CB CYS A 449 -74.046 -33.327 -34.058 1.00 0.00 C ATOM 1544 SG CYS A 449 -72.947 -32.084 -33.339 1.00 0.00 S ATOM 0 H CYS A 449 -71.566 -33.553 -35.232 1.00 0.00 H new ATOM 0 HA CYS A 449 -74.285 -34.621 -35.748 1.00 0.00 H new ATOM 0 HB2 CYS A 449 -75.054 -32.916 -34.113 1.00 0.00 H new ATOM 0 HB3 CYS A 449 -74.088 -34.188 -33.391 1.00 0.00 H new ATOM 0 HG CYS A 449 -73.385 -31.746 -32.163 1.00 0.00 H new ATOM 1550 N MET A 450 -74.987 -32.188 -36.665 1.00 0.00 N ATOM 1551 CA MET A 450 -75.214 -31.098 -37.605 1.00 0.00 C ATOM 1552 C MET A 450 -75.286 -29.774 -36.869 1.00 0.00 C ATOM 1553 O MET A 450 -75.455 -28.716 -37.479 1.00 0.00 O ATOM 1554 CB MET A 450 -76.492 -31.321 -38.423 1.00 0.00 C ATOM 1555 CG MET A 450 -76.519 -32.640 -39.179 1.00 0.00 C ATOM 1556 SD MET A 450 -77.883 -32.743 -40.354 1.00 0.00 S ATOM 1557 CE MET A 450 -77.776 -34.463 -40.840 1.00 0.00 C ATOM 0 H MET A 450 -75.826 -32.529 -36.195 1.00 0.00 H new ATOM 0 HA MET A 450 -74.373 -31.074 -38.298 1.00 0.00 H new ATOM 0 HB2 MET A 450 -77.351 -31.280 -37.754 1.00 0.00 H new ATOM 0 HB3 MET A 450 -76.603 -30.503 -39.135 1.00 0.00 H new ATOM 0 HG2 MET A 450 -75.576 -32.768 -39.711 1.00 0.00 H new ATOM 0 HG3 MET A 450 -76.597 -33.461 -38.466 1.00 0.00 H new ATOM 0 HE1 MET A 450 -78.557 -34.685 -41.567 1.00 0.00 H new ATOM 0 HE2 MET A 450 -76.800 -34.655 -41.286 1.00 0.00 H new ATOM 0 HE3 MET A 450 -77.906 -35.098 -39.963 1.00 0.00 H new ATOM 1567 N HIS A 451 -75.149 -29.841 -35.553 1.00 0.00 N ATOM 1568 CA HIS A 451 -75.176 -28.660 -34.716 1.00 0.00 C ATOM 1569 C HIS A 451 -73.842 -27.951 -34.738 1.00 0.00 C ATOM 1570 O HIS A 451 -72.899 -28.356 -34.057 1.00 0.00 O ATOM 1571 CB HIS A 451 -75.547 -29.016 -33.276 1.00 0.00 C ATOM 1572 CG HIS A 451 -77.006 -29.238 -33.066 1.00 0.00 C ATOM 1573 ND1 HIS A 451 -77.502 -30.449 -32.646 1.00 0.00 N ATOM 1574 CD2 HIS A 451 -78.022 -28.365 -33.197 1.00 0.00 C ATOM 1575 CE1 HIS A 451 -78.807 -30.276 -32.529 1.00 0.00 C ATOM 1576 NE2 HIS A 451 -79.166 -29.033 -32.851 1.00 0.00 N ATOM 0 H HIS A 451 -75.017 -30.713 -35.041 1.00 0.00 H new ATOM 0 HA HIS A 451 -75.937 -27.991 -35.119 1.00 0.00 H new ATOM 0 HB2 HIS A 451 -75.007 -29.916 -32.984 1.00 0.00 H new ATOM 0 HB3 HIS A 451 -75.213 -28.215 -32.616 1.00 0.00 H new ATOM 0 HD2 HIS A 451 -77.949 -27.335 -33.514 1.00 0.00 H new ATOM 0 HE1 HIS A 451 -79.496 -31.045 -32.212 1.00 0.00 H new ATOM 0 HE2 HIS A 451 -80.112 -28.652 -32.841 1.00 0.00 H new ATOM 1584 N MET A 452 -73.754 -26.912 -35.533 1.00 0.00 N ATOM 1585 CA MET A 452 -72.541 -26.129 -35.619 1.00 0.00 C ATOM 1586 C MET A 452 -72.781 -24.744 -35.059 1.00 0.00 C ATOM 1587 O MET A 452 -73.329 -23.871 -35.733 1.00 0.00 O ATOM 1588 CB MET A 452 -72.040 -26.052 -37.062 1.00 0.00 C ATOM 1589 CG MET A 452 -71.695 -27.405 -37.662 1.00 0.00 C ATOM 1590 SD MET A 452 -70.282 -28.206 -36.859 1.00 0.00 S ATOM 1591 CE MET A 452 -68.930 -27.196 -37.458 1.00 0.00 C ATOM 0 H MET A 452 -74.511 -26.586 -36.133 1.00 0.00 H new ATOM 0 HA MET A 452 -71.768 -26.619 -35.026 1.00 0.00 H new ATOM 0 HB2 MET A 452 -72.803 -25.576 -37.677 1.00 0.00 H new ATOM 0 HB3 MET A 452 -71.158 -25.413 -37.097 1.00 0.00 H new ATOM 0 HG2 MET A 452 -72.564 -28.059 -37.589 1.00 0.00 H new ATOM 0 HG3 MET A 452 -71.478 -27.280 -38.723 1.00 0.00 H new ATOM 0 HE1 MET A 452 -67.982 -27.648 -37.167 1.00 0.00 H new ATOM 0 HE2 MET A 452 -68.981 -27.127 -38.545 1.00 0.00 H new ATOM 0 HE3 MET A 452 -69.004 -26.197 -37.028 1.00 0.00 H new ATOM 1601 N VAL A 453 -72.409 -24.561 -33.811 1.00 0.00 N ATOM 1602 CA VAL A 453 -72.587 -23.289 -33.146 1.00 0.00 C ATOM 1603 C VAL A 453 -71.248 -22.619 -32.931 1.00 0.00 C ATOM 1604 O VAL A 453 -70.403 -23.120 -32.177 1.00 0.00 O ATOM 1605 CB VAL A 453 -73.298 -23.459 -31.785 1.00 0.00 C ATOM 1606 CG1 VAL A 453 -73.485 -22.114 -31.101 1.00 0.00 C ATOM 1607 CG2 VAL A 453 -74.635 -24.153 -31.971 1.00 0.00 C ATOM 0 H VAL A 453 -71.978 -25.283 -33.233 1.00 0.00 H new ATOM 0 HA VAL A 453 -73.211 -22.667 -33.787 1.00 0.00 H new ATOM 0 HB VAL A 453 -72.670 -24.080 -31.146 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -73.988 -22.259 -30.145 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -72.512 -21.653 -30.933 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -74.090 -21.465 -31.734 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -75.124 -24.266 -31.003 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -75.266 -23.556 -32.629 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -74.476 -25.136 -32.414 1.00 0.00 H new ATOM 1617 N CYS A 454 -71.043 -21.501 -33.598 1.00 0.00 N ATOM 1618 CA CYS A 454 -69.804 -20.779 -33.466 1.00 0.00 C ATOM 1619 C CYS A 454 -69.791 -19.979 -32.185 1.00 0.00 C ATOM 1620 O CYS A 454 -70.550 -19.012 -32.028 1.00 0.00 O ATOM 1621 CB CYS A 454 -69.571 -19.861 -34.664 1.00 0.00 C ATOM 1622 SG CYS A 454 -68.030 -18.886 -34.567 1.00 0.00 S ATOM 0 H CYS A 454 -71.719 -21.078 -34.234 1.00 0.00 H new ATOM 0 HA CYS A 454 -68.994 -21.508 -33.434 1.00 0.00 H new ATOM 0 HB2 CYS A 454 -69.550 -20.464 -35.572 1.00 0.00 H new ATOM 0 HB3 CYS A 454 -70.416 -19.178 -34.754 1.00 0.00 H new ATOM 0 HG CYS A 454 -67.956 -18.088 -35.590 1.00 0.00 H new ATOM 1627 N THR A 455 -68.957 -20.385 -31.263 1.00 0.00 N ATOM 1628 CA THR A 455 -68.826 -19.678 -30.032 1.00 0.00 C ATOM 1629 C THR A 455 -67.689 -18.675 -30.141 1.00 0.00 C ATOM 1630 O THR A 455 -66.522 -18.997 -29.901 1.00 0.00 O ATOM 1631 CB THR A 455 -68.575 -20.651 -28.874 1.00 0.00 C ATOM 1632 OG1 THR A 455 -67.584 -21.620 -29.268 1.00 0.00 O ATOM 1633 CG2 THR A 455 -69.862 -21.366 -28.493 1.00 0.00 C ATOM 0 H THR A 455 -68.359 -21.207 -31.350 1.00 0.00 H new ATOM 0 HA THR A 455 -69.755 -19.145 -29.828 1.00 0.00 H new ATOM 0 HB THR A 455 -68.218 -20.088 -28.012 1.00 0.00 H new ATOM 0 HG1 THR A 455 -66.815 -21.159 -29.663 1.00 0.00 H new ATOM 0 HG21 THR A 455 -69.667 -22.053 -27.670 1.00 0.00 H new ATOM 0 HG22 THR A 455 -70.608 -20.633 -28.185 1.00 0.00 H new ATOM 0 HG23 THR A 455 -70.235 -21.925 -29.351 1.00 0.00 H new ATOM 1641 N ARG A 456 -68.034 -17.481 -30.556 1.00 0.00 N ATOM 1642 CA ARG A 456 -67.081 -16.412 -30.727 1.00 0.00 C ATOM 1643 C ARG A 456 -67.623 -15.154 -30.066 1.00 0.00 C ATOM 1644 O ARG A 456 -68.821 -14.872 -30.157 1.00 0.00 O ATOM 1645 CB ARG A 456 -66.825 -16.202 -32.232 1.00 0.00 C ATOM 1646 CG ARG A 456 -65.607 -15.357 -32.587 1.00 0.00 C ATOM 1647 CD ARG A 456 -65.916 -13.873 -32.603 1.00 0.00 C ATOM 1648 NE ARG A 456 -64.743 -13.082 -32.978 1.00 0.00 N ATOM 1649 CZ ARG A 456 -64.770 -11.782 -33.287 1.00 0.00 C ATOM 1650 NH1 ARG A 456 -65.908 -11.103 -33.236 1.00 0.00 N1+ ATOM 1651 NH2 ARG A 456 -63.654 -11.162 -33.644 1.00 0.00 N ATOM 0 H ARG A 456 -68.993 -17.221 -30.787 1.00 0.00 H new ATOM 0 HA ARG A 456 -66.131 -16.660 -30.254 1.00 0.00 H new ATOM 0 HB2 ARG A 456 -66.715 -17.179 -32.702 1.00 0.00 H new ATOM 0 HB3 ARG A 456 -67.707 -15.735 -32.670 1.00 0.00 H new ATOM 0 HG2 ARG A 456 -64.811 -15.552 -31.868 1.00 0.00 H new ATOM 0 HG3 ARG A 456 -65.233 -15.658 -33.566 1.00 0.00 H new ATOM 0 HD2 ARG A 456 -66.727 -13.677 -33.305 1.00 0.00 H new ATOM 0 HD3 ARG A 456 -66.265 -13.563 -31.618 1.00 0.00 H new ATOM 0 HE ARG A 456 -63.841 -13.557 -33.005 1.00 0.00 H new ATOM 0 HH11 ARG A 456 -66.770 -11.573 -32.960 1.00 0.00 H new ATOM 0 HH12 ARG A 456 -65.921 -10.111 -33.473 1.00 0.00 H new ATOM 0 HH21 ARG A 456 -62.774 -11.677 -33.683 1.00 0.00 H new ATOM 0 HH22 ARG A 456 -63.675 -10.170 -33.880 1.00 0.00 H new ATOM 1665 N ALA A 457 -66.760 -14.412 -29.394 1.00 0.00 N ATOM 1666 CA ALA A 457 -67.168 -13.185 -28.729 1.00 0.00 C ATOM 1667 C ALA A 457 -67.638 -12.153 -29.746 1.00 0.00 C ATOM 1668 O ALA A 457 -66.834 -11.571 -30.473 1.00 0.00 O ATOM 1669 CB ALA A 457 -66.031 -12.631 -27.886 1.00 0.00 C ATOM 0 H ALA A 457 -65.770 -14.638 -29.294 1.00 0.00 H new ATOM 0 HA ALA A 457 -68.003 -13.415 -28.067 1.00 0.00 H new ATOM 0 HB1 ALA A 457 -66.355 -11.713 -27.396 1.00 0.00 H new ATOM 0 HB2 ALA A 457 -65.747 -13.364 -27.131 1.00 0.00 H new ATOM 0 HB3 ALA A 457 -65.174 -12.418 -28.525 1.00 0.00 H new ATOM 1675 N GLY A 458 -68.941 -11.953 -29.811 1.00 0.00 N ATOM 1676 CA GLY A 458 -69.499 -11.007 -30.751 1.00 0.00 C ATOM 1677 C GLY A 458 -70.080 -11.688 -31.974 1.00 0.00 C ATOM 1678 O GLY A 458 -70.461 -11.026 -32.941 1.00 0.00 O ATOM 0 H GLY A 458 -69.627 -12.431 -29.227 1.00 0.00 H new ATOM 0 HA2 GLY A 458 -70.277 -10.424 -30.258 1.00 0.00 H new ATOM 0 HA3 GLY A 458 -68.724 -10.306 -31.062 1.00 0.00 H new ATOM 1682 N CYS A 459 -70.132 -13.015 -31.947 1.00 0.00 N ATOM 1683 CA CYS A 459 -70.686 -13.777 -33.052 1.00 0.00 C ATOM 1684 C CYS A 459 -72.075 -14.302 -32.699 1.00 0.00 C ATOM 1685 O CYS A 459 -73.080 -13.614 -32.915 1.00 0.00 O ATOM 1686 CB CYS A 459 -69.753 -14.931 -33.436 1.00 0.00 C ATOM 1687 SG CYS A 459 -70.326 -15.950 -34.831 1.00 0.00 S ATOM 0 H CYS A 459 -69.796 -13.583 -31.169 1.00 0.00 H new ATOM 0 HA CYS A 459 -70.779 -13.114 -33.912 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -68.774 -14.520 -33.683 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -69.618 -15.574 -32.567 1.00 0.00 H new ATOM 0 HG CYS A 459 -69.618 -17.039 -34.892 1.00 0.00 H new ATOM 1692 N GLY A 460 -72.124 -15.499 -32.126 1.00 0.00 N ATOM 1693 CA GLY A 460 -73.390 -16.100 -31.758 1.00 0.00 C ATOM 1694 C GLY A 460 -74.223 -16.429 -32.975 1.00 0.00 C ATOM 1695 O GLY A 460 -75.420 -16.134 -33.021 1.00 0.00 O ATOM 0 H GLY A 460 -71.304 -16.066 -31.909 1.00 0.00 H new ATOM 0 HA2 GLY A 460 -73.209 -17.009 -31.184 1.00 0.00 H new ATOM 0 HA3 GLY A 460 -73.943 -15.419 -31.111 1.00 0.00 H new ATOM 1699 N PHE A 461 -73.592 -17.035 -33.960 1.00 0.00 N ATOM 1700 CA PHE A 461 -74.251 -17.362 -35.205 1.00 0.00 C ATOM 1701 C PHE A 461 -74.372 -18.876 -35.378 1.00 0.00 C ATOM 1702 O PHE A 461 -73.397 -19.614 -35.206 1.00 0.00 O ATOM 1703 CB PHE A 461 -73.459 -16.758 -36.367 1.00 0.00 C ATOM 1704 CG PHE A 461 -74.167 -16.774 -37.691 1.00 0.00 C ATOM 1705 CD1 PHE A 461 -75.065 -15.772 -38.017 1.00 0.00 C ATOM 1706 CD2 PHE A 461 -73.924 -17.774 -38.613 1.00 0.00 C ATOM 1707 CE1 PHE A 461 -75.707 -15.770 -39.236 1.00 0.00 C ATOM 1708 CE2 PHE A 461 -74.565 -17.778 -39.834 1.00 0.00 C ATOM 1709 CZ PHE A 461 -75.457 -16.773 -40.145 1.00 0.00 C ATOM 0 H PHE A 461 -72.612 -17.313 -33.919 1.00 0.00 H new ATOM 0 HA PHE A 461 -75.258 -16.946 -35.192 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -73.207 -15.727 -36.119 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -72.519 -17.300 -36.468 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -75.265 -14.983 -37.307 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -73.224 -18.561 -38.375 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -76.405 -14.983 -39.478 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -74.369 -18.567 -40.545 1.00 0.00 H new ATOM 0 HZ PHE A 461 -75.959 -16.773 -41.101 1.00 0.00 H new ATOM 1719 N GLU A 462 -75.573 -19.331 -35.696 1.00 0.00 N ATOM 1720 CA GLU A 462 -75.819 -20.740 -35.941 1.00 0.00 C ATOM 1721 C GLU A 462 -75.828 -21.014 -37.433 1.00 0.00 C ATOM 1722 O GLU A 462 -76.343 -20.208 -38.218 1.00 0.00 O ATOM 1723 CB GLU A 462 -77.156 -21.191 -35.333 1.00 0.00 C ATOM 1724 CG GLU A 462 -77.195 -21.220 -33.812 1.00 0.00 C ATOM 1725 CD GLU A 462 -77.140 -19.845 -33.191 1.00 0.00 C ATOM 1726 OE1 GLU A 462 -77.847 -18.938 -33.677 1.00 0.00 O ATOM 1727 OE2 GLU A 462 -76.416 -19.670 -32.192 1.00 0.00 O1- ATOM 0 H GLU A 462 -76.398 -18.738 -35.791 1.00 0.00 H new ATOM 0 HA GLU A 462 -75.017 -21.304 -35.465 1.00 0.00 H new ATOM 0 HB2 GLU A 462 -77.942 -20.525 -35.689 1.00 0.00 H new ATOM 0 HB3 GLU A 462 -77.389 -22.188 -35.706 1.00 0.00 H new ATOM 0 HG2 GLU A 462 -78.106 -21.722 -33.488 1.00 0.00 H new ATOM 0 HG3 GLU A 462 -76.357 -21.812 -33.444 1.00 0.00 H new ATOM 1734 N TRP A 463 -75.257 -22.134 -37.822 1.00 0.00 N ATOM 1735 CA TRP A 463 -75.204 -22.528 -39.216 1.00 0.00 C ATOM 1736 C TRP A 463 -75.168 -24.045 -39.338 1.00 0.00 C ATOM 1737 O TRP A 463 -74.668 -24.734 -38.444 1.00 0.00 O ATOM 1738 CB TRP A 463 -73.997 -21.883 -39.917 1.00 0.00 C ATOM 1739 CG TRP A 463 -72.701 -22.004 -39.166 1.00 0.00 C ATOM 1740 CD1 TRP A 463 -72.275 -21.221 -38.130 1.00 0.00 C ATOM 1741 CD2 TRP A 463 -71.658 -22.950 -39.402 1.00 0.00 C ATOM 1742 NE1 TRP A 463 -71.037 -21.624 -37.711 1.00 0.00 N ATOM 1743 CE2 TRP A 463 -70.634 -22.685 -38.472 1.00 0.00 C ATOM 1744 CE3 TRP A 463 -71.491 -23.997 -40.307 1.00 0.00 C ATOM 1745 CZ2 TRP A 463 -69.462 -23.430 -38.425 1.00 0.00 C ATOM 1746 CZ3 TRP A 463 -70.330 -24.735 -40.258 1.00 0.00 C ATOM 1747 CH2 TRP A 463 -69.330 -24.447 -39.321 1.00 0.00 C ATOM 0 H TRP A 463 -74.817 -22.797 -37.183 1.00 0.00 H new ATOM 0 HA TRP A 463 -76.106 -22.171 -39.713 1.00 0.00 H new ATOM 0 HB2 TRP A 463 -73.877 -22.340 -40.899 1.00 0.00 H new ATOM 0 HB3 TRP A 463 -74.210 -20.827 -40.081 1.00 0.00 H new ATOM 0 HD1 TRP A 463 -72.835 -20.402 -37.704 1.00 0.00 H new ATOM 0 HE1 TRP A 463 -70.501 -21.201 -36.953 1.00 0.00 H new ATOM 0 HE3 TRP A 463 -72.258 -24.225 -41.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 -68.686 -23.211 -37.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 -70.188 -25.549 -40.953 1.00 0.00 H new ATOM 0 HH2 TRP A 463 -68.432 -25.046 -39.309 1.00 0.00 H new ATOM 1758 N CYS A 464 -75.717 -24.564 -40.428 1.00 0.00 N ATOM 1759 CA CYS A 464 -75.776 -26.004 -40.633 1.00 0.00 C ATOM 1760 C CYS A 464 -74.422 -26.582 -41.002 1.00 0.00 C ATOM 1761 O CYS A 464 -73.592 -25.923 -41.635 1.00 0.00 O ATOM 1762 CB CYS A 464 -76.774 -26.357 -41.716 1.00 0.00 C ATOM 1763 SG CYS A 464 -78.445 -25.672 -41.478 1.00 0.00 S ATOM 0 H CYS A 464 -76.126 -24.011 -41.181 1.00 0.00 H new ATOM 0 HA CYS A 464 -76.093 -26.439 -39.685 1.00 0.00 H new ATOM 0 HB2 CYS A 464 -76.387 -26.007 -42.673 1.00 0.00 H new ATOM 0 HB3 CYS A 464 -76.849 -27.443 -41.780 1.00 0.00 H new ATOM 0 HG CYS A 464 -79.322 -26.477 -42.000 1.00 0.00 H new ATOM 1768 N TRP A 465 -74.219 -27.821 -40.610 1.00 0.00 N ATOM 1769 CA TRP A 465 -72.992 -28.534 -40.904 1.00 0.00 C ATOM 1770 C TRP A 465 -72.923 -28.974 -42.369 1.00 0.00 C ATOM 1771 O TRP A 465 -72.003 -28.602 -43.098 1.00 0.00 O ATOM 1772 CB TRP A 465 -72.865 -29.759 -39.986 1.00 0.00 C ATOM 1773 CG TRP A 465 -71.796 -30.714 -40.410 1.00 0.00 C ATOM 1774 CD1 TRP A 465 -71.949 -32.040 -40.694 1.00 0.00 C ATOM 1775 CD2 TRP A 465 -70.413 -30.414 -40.622 1.00 0.00 C ATOM 1776 NE1 TRP A 465 -70.747 -32.581 -41.069 1.00 0.00 N ATOM 1777 CE2 TRP A 465 -69.788 -31.602 -41.032 1.00 0.00 C ATOM 1778 CE3 TRP A 465 -69.643 -29.252 -40.503 1.00 0.00 C ATOM 1779 CZ2 TRP A 465 -68.438 -31.666 -41.326 1.00 0.00 C ATOM 1780 CZ3 TRP A 465 -68.299 -29.315 -40.794 1.00 0.00 C ATOM 1781 CH2 TRP A 465 -67.707 -30.511 -41.202 1.00 0.00 C ATOM 0 H TRP A 465 -74.899 -28.364 -40.078 1.00 0.00 H new ATOM 0 HA TRP A 465 -72.163 -27.850 -40.724 1.00 0.00 H new ATOM 0 HB2 TRP A 465 -72.658 -29.422 -38.970 1.00 0.00 H new ATOM 0 HB3 TRP A 465 -73.820 -30.284 -39.959 1.00 0.00 H new ATOM 0 HD1 TRP A 465 -72.880 -32.583 -40.632 1.00 0.00 H new ATOM 0 HE1 TRP A 465 -70.591 -33.554 -41.333 1.00 0.00 H new ATOM 0 HE3 TRP A 465 -70.095 -28.323 -40.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 465 -67.976 -32.590 -41.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 465 -67.693 -28.425 -40.705 1.00 0.00 H new ATOM 0 HH2 TRP A 465 -66.650 -30.528 -41.425 1.00 0.00 H new ATOM 1792 N VAL A 466 -73.899 -29.762 -42.787 1.00 0.00 N ATOM 1793 CA VAL A 466 -73.901 -30.337 -44.128 1.00 0.00 C ATOM 1794 C VAL A 466 -74.118 -29.295 -45.232 1.00 0.00 C ATOM 1795 O VAL A 466 -73.392 -29.287 -46.234 1.00 0.00 O ATOM 1796 CB VAL A 466 -74.913 -31.497 -44.252 1.00 0.00 C ATOM 1797 CG1 VAL A 466 -74.404 -32.712 -43.486 1.00 0.00 C ATOM 1798 CG2 VAL A 466 -76.284 -31.085 -43.731 1.00 0.00 C ATOM 0 H VAL A 466 -74.704 -30.021 -42.217 1.00 0.00 H new ATOM 0 HA VAL A 466 -72.900 -30.743 -44.278 1.00 0.00 H new ATOM 0 HB VAL A 466 -75.015 -31.753 -45.307 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -75.122 -33.527 -43.577 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -73.445 -33.026 -43.898 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -74.280 -32.454 -42.434 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -76.977 -31.920 -43.830 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -76.204 -30.802 -42.681 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -76.653 -30.237 -44.308 1.00 0.00 H new ATOM 1808 N CYS A 467 -75.103 -28.433 -45.062 1.00 0.00 N ATOM 1809 CA CYS A 467 -75.344 -27.378 -46.025 1.00 0.00 C ATOM 1810 C CYS A 467 -74.849 -26.061 -45.473 1.00 0.00 C ATOM 1811 O CYS A 467 -75.243 -25.660 -44.380 1.00 0.00 O ATOM 1812 CB CYS A 467 -76.841 -27.288 -46.382 1.00 0.00 C ATOM 1813 SG CYS A 467 -77.960 -27.209 -44.960 1.00 0.00 S ATOM 0 H CYS A 467 -75.746 -28.443 -44.270 1.00 0.00 H new ATOM 0 HA CYS A 467 -74.797 -27.609 -46.939 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -77.000 -26.405 -47.000 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -77.108 -28.154 -46.988 1.00 0.00 H new ATOM 0 HG CYS A 467 -78.860 -28.141 -45.064 1.00 0.00 H new ATOM 1818 N GLN A 468 -73.992 -25.383 -46.207 1.00 0.00 N ATOM 1819 CA GLN A 468 -73.494 -24.121 -45.730 1.00 0.00 C ATOM 1820 C GLN A 468 -74.580 -23.094 -45.899 1.00 0.00 C ATOM 1821 O GLN A 468 -74.928 -22.711 -47.016 1.00 0.00 O ATOM 1822 CB GLN A 468 -72.234 -23.707 -46.498 1.00 0.00 C ATOM 1823 CG GLN A 468 -71.598 -22.409 -46.003 1.00 0.00 C ATOM 1824 CD GLN A 468 -71.163 -22.479 -44.547 1.00 0.00 C ATOM 1825 OE1 GLN A 468 -70.039 -22.884 -44.240 1.00 0.00 O ATOM 1826 NE2 GLN A 468 -72.037 -22.063 -43.644 1.00 0.00 N ATOM 0 H GLN A 468 -73.635 -25.680 -47.115 1.00 0.00 H new ATOM 0 HA GLN A 468 -73.220 -24.205 -44.678 1.00 0.00 H new ATOM 0 HB2 GLN A 468 -71.499 -24.509 -46.427 1.00 0.00 H new ATOM 0 HB3 GLN A 468 -72.485 -23.597 -47.553 1.00 0.00 H new ATOM 0 HG2 GLN A 468 -70.734 -22.174 -46.624 1.00 0.00 H new ATOM 0 HG3 GLN A 468 -72.309 -21.592 -46.125 1.00 0.00 H new ATOM 0 HE21 GLN A 468 -72.957 -21.735 -43.938 1.00 0.00 H new ATOM 0 HE22 GLN A 468 -71.790 -22.070 -42.654 1.00 0.00 H new ATOM 1835 N THR A 469 -75.111 -22.656 -44.786 1.00 0.00 N ATOM 1836 CA THR A 469 -76.214 -21.736 -44.771 1.00 0.00 C ATOM 1837 C THR A 469 -76.208 -20.924 -43.496 1.00 0.00 C ATOM 1838 O THR A 469 -75.344 -21.105 -42.634 1.00 0.00 O ATOM 1839 CB THR A 469 -77.565 -22.504 -44.858 1.00 0.00 C ATOM 1840 OG1 THR A 469 -77.485 -23.724 -44.100 1.00 0.00 O ATOM 1841 CG2 THR A 469 -77.939 -22.822 -46.296 1.00 0.00 C ATOM 0 H THR A 469 -74.786 -22.931 -43.859 1.00 0.00 H new ATOM 0 HA THR A 469 -76.108 -21.075 -45.631 1.00 0.00 H new ATOM 0 HB THR A 469 -78.339 -21.859 -44.442 1.00 0.00 H new ATOM 0 HG1 THR A 469 -78.109 -23.682 -43.346 1.00 0.00 H new ATOM 0 HG21 THR A 469 -78.888 -23.358 -46.315 1.00 0.00 H new ATOM 0 HG22 THR A 469 -78.035 -21.895 -46.861 1.00 0.00 H new ATOM 0 HG23 THR A 469 -77.163 -23.442 -46.745 1.00 0.00 H new ATOM 1849 N GLU A 470 -77.149 -20.021 -43.399 1.00 0.00 N ATOM 1850 CA GLU A 470 -77.359 -19.241 -42.208 1.00 0.00 C ATOM 1851 C GLU A 470 -78.549 -19.823 -41.473 1.00 0.00 C ATOM 1852 O GLU A 470 -79.354 -20.522 -42.083 1.00 0.00 O ATOM 1853 CB GLU A 470 -77.622 -17.782 -42.569 1.00 0.00 C ATOM 1854 CG GLU A 470 -78.760 -17.606 -43.537 1.00 0.00 C ATOM 1855 CD GLU A 470 -79.056 -16.159 -43.842 1.00 0.00 C ATOM 1856 OE1 GLU A 470 -79.692 -15.492 -43.002 1.00 0.00 O1- ATOM 1857 OE2 GLU A 470 -78.664 -15.679 -44.930 1.00 0.00 O ATOM 0 H GLU A 470 -77.799 -19.804 -44.155 1.00 0.00 H new ATOM 0 HA GLU A 470 -76.472 -19.274 -41.575 1.00 0.00 H new ATOM 0 HB2 GLU A 470 -77.838 -17.223 -41.659 1.00 0.00 H new ATOM 0 HB3 GLU A 470 -76.718 -17.352 -43.000 1.00 0.00 H new ATOM 0 HG2 GLU A 470 -78.524 -18.126 -44.465 1.00 0.00 H new ATOM 0 HG3 GLU A 470 -79.654 -18.075 -43.127 1.00 0.00 H new ATOM 1864 N TRP A 471 -78.648 -19.586 -40.173 1.00 0.00 N ATOM 1865 CA TRP A 471 -79.784 -20.094 -39.415 1.00 0.00 C ATOM 1866 C TRP A 471 -81.112 -19.604 -40.010 1.00 0.00 C ATOM 1867 O TRP A 471 -81.446 -18.416 -39.951 1.00 0.00 O ATOM 1868 CB TRP A 471 -79.671 -19.758 -37.907 1.00 0.00 C ATOM 1869 CG TRP A 471 -79.509 -18.296 -37.582 1.00 0.00 C ATOM 1870 CD1 TRP A 471 -78.349 -17.581 -37.576 1.00 0.00 C ATOM 1871 CD2 TRP A 471 -80.544 -17.382 -37.190 1.00 0.00 C ATOM 1872 NE1 TRP A 471 -78.598 -16.280 -37.216 1.00 0.00 N ATOM 1873 CE2 TRP A 471 -79.937 -16.132 -36.977 1.00 0.00 C ATOM 1874 CE3 TRP A 471 -81.925 -17.499 -37.007 1.00 0.00 C ATOM 1875 CZ2 TRP A 471 -80.661 -15.008 -36.589 1.00 0.00 C ATOM 1876 CZ3 TRP A 471 -82.642 -16.384 -36.622 1.00 0.00 C ATOM 1877 CH2 TRP A 471 -82.010 -15.154 -36.418 1.00 0.00 C ATOM 0 H TRP A 471 -77.969 -19.055 -39.628 1.00 0.00 H new ATOM 0 HA TRP A 471 -79.769 -21.181 -39.496 1.00 0.00 H new ATOM 0 HB2 TRP A 471 -80.563 -20.129 -37.402 1.00 0.00 H new ATOM 0 HB3 TRP A 471 -78.821 -20.301 -37.494 1.00 0.00 H new ATOM 0 HD1 TRP A 471 -77.375 -17.980 -37.819 1.00 0.00 H new ATOM 0 HE1 TRP A 471 -77.898 -15.542 -37.139 1.00 0.00 H new ATOM 0 HE3 TRP A 471 -82.422 -18.445 -37.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 471 -80.176 -14.057 -36.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 471 -83.709 -16.463 -36.476 1.00 0.00 H new ATOM 0 HH2 TRP A 471 -82.600 -14.300 -36.119 1.00 0.00 H new ATOM 1888 N THR A 472 -81.832 -20.519 -40.627 1.00 0.00 N ATOM 1889 CA THR A 472 -83.108 -20.219 -41.232 1.00 0.00 C ATOM 1890 C THR A 472 -84.171 -21.130 -40.651 1.00 0.00 C ATOM 1891 O THR A 472 -83.863 -22.011 -39.853 1.00 0.00 O ATOM 1892 CB THR A 472 -83.060 -20.407 -42.761 1.00 0.00 C ATOM 1893 OG1 THR A 472 -82.644 -21.741 -43.075 1.00 0.00 O ATOM 1894 CG2 THR A 472 -82.108 -19.412 -43.408 1.00 0.00 C ATOM 0 H THR A 472 -81.545 -21.493 -40.722 1.00 0.00 H new ATOM 0 HA THR A 472 -83.347 -19.177 -41.020 1.00 0.00 H new ATOM 0 HB THR A 472 -84.061 -20.231 -43.154 1.00 0.00 H new ATOM 0 HG1 THR A 472 -83.337 -22.183 -43.609 1.00 0.00 H new ATOM 0 HG21 THR A 472 -82.095 -19.569 -44.487 1.00 0.00 H new ATOM 0 HG22 THR A 472 -82.441 -18.397 -43.193 1.00 0.00 H new ATOM 0 HG23 THR A 472 -81.104 -19.556 -43.009 1.00 0.00 H new ATOM 1902 N ARG A 473 -85.413 -20.925 -41.037 1.00 0.00 N ATOM 1903 CA ARG A 473 -86.496 -21.749 -40.532 1.00 0.00 C ATOM 1904 C ARG A 473 -86.634 -23.022 -41.358 1.00 0.00 C ATOM 1905 O ARG A 473 -87.031 -24.070 -40.839 1.00 0.00 O ATOM 1906 CB ARG A 473 -87.813 -20.968 -40.533 1.00 0.00 C ATOM 1907 CG ARG A 473 -88.990 -21.728 -39.936 1.00 0.00 C ATOM 1908 CD ARG A 473 -88.818 -21.935 -38.440 1.00 0.00 C ATOM 1909 NE ARG A 473 -89.892 -22.745 -37.874 1.00 0.00 N ATOM 1910 CZ ARG A 473 -90.617 -22.409 -36.803 1.00 0.00 C ATOM 1911 NH1 ARG A 473 -90.394 -21.257 -36.171 1.00 0.00 N1+ ATOM 1912 NH2 ARG A 473 -91.565 -23.230 -36.367 1.00 0.00 N ATOM 0 H ARG A 473 -85.699 -20.200 -41.695 1.00 0.00 H new ATOM 0 HA ARG A 473 -86.260 -22.028 -39.505 1.00 0.00 H new ATOM 0 HB2 ARG A 473 -87.673 -20.041 -39.976 1.00 0.00 H new ATOM 0 HB3 ARG A 473 -88.057 -20.690 -41.558 1.00 0.00 H new ATOM 0 HG2 ARG A 473 -89.912 -21.179 -40.125 1.00 0.00 H new ATOM 0 HG3 ARG A 473 -89.088 -22.695 -40.429 1.00 0.00 H new ATOM 0 HD2 ARG A 473 -87.860 -22.418 -38.248 1.00 0.00 H new ATOM 0 HD3 ARG A 473 -88.792 -20.967 -37.940 1.00 0.00 H new ATOM 0 HE ARG A 473 -90.105 -23.633 -38.329 1.00 0.00 H new ATOM 0 HH11 ARG A 473 -89.666 -20.625 -36.504 1.00 0.00 H new ATOM 0 HH12 ARG A 473 -90.951 -21.007 -35.354 1.00 0.00 H new ATOM 0 HH21 ARG A 473 -91.737 -24.112 -36.849 1.00 0.00 H new ATOM 0 HH22 ARG A 473 -92.121 -22.978 -35.550 1.00 0.00 H new ATOM 1926 N ASP A 474 -86.280 -22.938 -42.637 1.00 0.00 N ATOM 1927 CA ASP A 474 -86.401 -24.081 -43.534 1.00 0.00 C ATOM 1928 C ASP A 474 -85.428 -25.186 -43.156 1.00 0.00 C ATOM 1929 O ASP A 474 -85.691 -26.351 -43.408 1.00 0.00 O ATOM 1930 CB ASP A 474 -86.247 -23.677 -45.015 1.00 0.00 C ATOM 1931 CG ASP A 474 -84.853 -23.231 -45.386 1.00 0.00 C ATOM 1932 OD1 ASP A 474 -84.455 -22.117 -44.986 1.00 0.00 O1- ATOM 1933 OD2 ASP A 474 -84.154 -23.986 -46.092 1.00 0.00 O ATOM 0 H ASP A 474 -85.909 -22.094 -43.073 1.00 0.00 H new ATOM 0 HA ASP A 474 -87.411 -24.473 -43.416 1.00 0.00 H new ATOM 0 HB2 ASP A 474 -86.526 -24.523 -45.643 1.00 0.00 H new ATOM 0 HB3 ASP A 474 -86.947 -22.871 -45.236 1.00 0.00 H new ATOM 1938 N CYS A 475 -84.305 -24.816 -42.550 1.00 0.00 N ATOM 1939 CA CYS A 475 -83.362 -25.802 -42.040 1.00 0.00 C ATOM 1940 C CYS A 475 -83.653 -26.094 -40.569 1.00 0.00 C ATOM 1941 O CYS A 475 -83.427 -27.212 -40.090 1.00 0.00 O ATOM 1942 CB CYS A 475 -81.917 -25.329 -42.212 1.00 0.00 C ATOM 1943 SG CYS A 475 -81.266 -25.471 -43.917 1.00 0.00 S ATOM 0 H CYS A 475 -84.027 -23.846 -42.401 1.00 0.00 H new ATOM 0 HA CYS A 475 -83.485 -26.719 -42.617 1.00 0.00 H new ATOM 0 HB2 CYS A 475 -81.850 -24.288 -41.897 1.00 0.00 H new ATOM 0 HB3 CYS A 475 -81.278 -25.906 -41.544 1.00 0.00 H new ATOM 0 HG CYS A 475 -80.605 -26.584 -44.038 1.00 0.00 H new ATOM 1948 N MET A 476 -84.175 -25.079 -39.871 1.00 0.00 N ATOM 1949 CA MET A 476 -84.522 -25.181 -38.451 1.00 0.00 C ATOM 1950 C MET A 476 -85.391 -26.401 -38.179 1.00 0.00 C ATOM 1951 O MET A 476 -85.079 -27.219 -37.316 1.00 0.00 O ATOM 1952 CB MET A 476 -85.238 -23.902 -37.988 1.00 0.00 C ATOM 1953 CG MET A 476 -85.627 -23.869 -36.509 1.00 0.00 C ATOM 1954 SD MET A 476 -87.166 -24.748 -36.160 1.00 0.00 S ATOM 1955 CE MET A 476 -87.392 -24.352 -34.431 1.00 0.00 C ATOM 0 H MET A 476 -84.369 -24.163 -40.276 1.00 0.00 H new ATOM 0 HA MET A 476 -83.597 -25.297 -37.885 1.00 0.00 H new ATOM 0 HB2 MET A 476 -84.593 -23.049 -38.196 1.00 0.00 H new ATOM 0 HB3 MET A 476 -86.140 -23.773 -38.587 1.00 0.00 H new ATOM 0 HG2 MET A 476 -84.823 -24.308 -35.918 1.00 0.00 H new ATOM 0 HG3 MET A 476 -85.728 -22.832 -36.189 1.00 0.00 H new ATOM 0 HE1 MET A 476 -88.304 -24.824 -34.066 1.00 0.00 H new ATOM 0 HE2 MET A 476 -86.540 -24.719 -33.859 1.00 0.00 H new ATOM 0 HE3 MET A 476 -87.470 -23.271 -34.312 1.00 0.00 H new ATOM 1965 N GLY A 477 -86.471 -26.529 -38.928 1.00 0.00 N ATOM 1966 CA GLY A 477 -87.370 -27.643 -38.728 1.00 0.00 C ATOM 1967 C GLY A 477 -87.145 -28.755 -39.724 1.00 0.00 C ATOM 1968 O GLY A 477 -88.027 -29.585 -39.946 1.00 0.00 O ATOM 0 H GLY A 477 -86.742 -25.883 -39.670 1.00 0.00 H new ATOM 0 HA2 GLY A 477 -87.241 -28.033 -37.718 1.00 0.00 H new ATOM 0 HA3 GLY A 477 -88.399 -27.293 -38.806 1.00 0.00 H new ATOM 1972 N ALA A 478 -85.971 -28.776 -40.335 1.00 0.00 N ATOM 1973 CA ALA A 478 -85.665 -29.789 -41.326 1.00 0.00 C ATOM 1974 C ALA A 478 -84.608 -30.768 -40.849 1.00 0.00 C ATOM 1975 O ALA A 478 -84.892 -31.949 -40.642 1.00 0.00 O ATOM 1976 CB ALA A 478 -85.226 -29.154 -42.626 1.00 0.00 C ATOM 0 H ALA A 478 -85.221 -28.107 -40.162 1.00 0.00 H new ATOM 0 HA ALA A 478 -86.585 -30.351 -41.490 1.00 0.00 H new ATOM 0 HB1 ALA A 478 -85.002 -29.933 -43.354 1.00 0.00 H new ATOM 0 HB2 ALA A 478 -86.025 -28.519 -43.009 1.00 0.00 H new ATOM 0 HB3 ALA A 478 -84.334 -28.551 -42.454 1.00 0.00 H new ATOM 1982 N HIS A 479 -83.391 -30.282 -40.645 1.00 0.00 N ATOM 1983 CA HIS A 479 -82.288 -31.175 -40.313 1.00 0.00 C ATOM 1984 C HIS A 479 -81.369 -30.601 -39.242 1.00 0.00 C ATOM 1985 O HIS A 479 -80.249 -31.074 -39.076 1.00 0.00 O ATOM 1986 CB HIS A 479 -81.477 -31.485 -41.581 1.00 0.00 C ATOM 1987 CG HIS A 479 -80.678 -30.319 -42.099 1.00 0.00 C ATOM 1988 ND1 HIS A 479 -79.308 -30.257 -42.046 1.00 0.00 N ATOM 1989 CD2 HIS A 479 -81.085 -29.154 -42.672 1.00 0.00 C ATOM 1990 CE1 HIS A 479 -78.928 -29.090 -42.567 1.00 0.00 C ATOM 1991 NE2 HIS A 479 -79.968 -28.376 -42.965 1.00 0.00 N ATOM 0 H HIS A 479 -83.144 -29.294 -40.702 1.00 0.00 H new ATOM 0 HA HIS A 479 -82.722 -32.089 -39.907 1.00 0.00 H new ATOM 0 HB2 HIS A 479 -80.799 -32.313 -41.373 1.00 0.00 H new ATOM 0 HB3 HIS A 479 -82.159 -31.821 -42.363 1.00 0.00 H new ATOM 0 HD1 HIS A 479 -78.689 -30.977 -41.673 1.00 0.00 H new ATOM 0 HD2 HIS A 479 -82.110 -28.877 -42.868 1.00 0.00 H new ATOM 0 HE1 HIS A 479 -77.901 -28.768 -42.653 1.00 0.00 H new ATOM 1999 N TRP A 480 -81.834 -29.590 -38.518 1.00 0.00 N ATOM 2000 CA TRP A 480 -81.017 -28.987 -37.468 1.00 0.00 C ATOM 2001 C TRP A 480 -80.571 -30.061 -36.467 1.00 0.00 C ATOM 2002 O TRP A 480 -79.435 -30.056 -35.987 1.00 0.00 O ATOM 2003 CB TRP A 480 -81.784 -27.862 -36.774 1.00 0.00 C ATOM 2004 CG TRP A 480 -80.926 -27.003 -35.897 1.00 0.00 C ATOM 2005 CD1 TRP A 480 -81.137 -26.711 -34.586 1.00 0.00 C ATOM 2006 CD2 TRP A 480 -79.710 -26.324 -36.270 1.00 0.00 C ATOM 2007 NE1 TRP A 480 -80.143 -25.891 -34.117 1.00 0.00 N ATOM 2008 CE2 TRP A 480 -79.255 -25.642 -35.127 1.00 0.00 C ATOM 2009 CE3 TRP A 480 -78.963 -26.227 -37.456 1.00 0.00 C ATOM 2010 CZ2 TRP A 480 -78.093 -24.875 -35.130 1.00 0.00 C ATOM 2011 CZ3 TRP A 480 -77.812 -25.466 -37.452 1.00 0.00 C ATOM 2012 CH2 TRP A 480 -77.387 -24.799 -36.297 1.00 0.00 C ATOM 0 H TRP A 480 -82.758 -29.174 -38.634 1.00 0.00 H new ATOM 0 HA TRP A 480 -80.125 -28.551 -37.917 1.00 0.00 H new ATOM 0 HB2 TRP A 480 -82.257 -27.236 -37.530 1.00 0.00 H new ATOM 0 HB3 TRP A 480 -82.584 -28.296 -36.173 1.00 0.00 H new ATOM 0 HD1 TRP A 480 -81.968 -27.073 -33.999 1.00 0.00 H new ATOM 0 HE1 TRP A 480 -80.077 -25.525 -33.167 1.00 0.00 H new ATOM 0 HE3 TRP A 480 -79.283 -26.738 -38.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 480 -77.762 -24.358 -34.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 480 -77.228 -25.383 -38.357 1.00 0.00 H new ATOM 0 HH2 TRP A 480 -76.481 -24.212 -36.329 1.00 0.00 H new ATOM 2023 N PHE A 481 -81.470 -30.986 -36.178 1.00 0.00 N ATOM 2024 CA PHE A 481 -81.147 -32.131 -35.359 1.00 0.00 C ATOM 2025 C PHE A 481 -81.394 -33.401 -36.160 1.00 0.00 C ATOM 2026 O PHE A 481 -82.540 -33.845 -36.316 1.00 0.00 O ATOM 2027 CB PHE A 481 -81.958 -32.144 -34.054 1.00 0.00 C ATOM 2028 CG PHE A 481 -81.719 -33.372 -33.206 1.00 0.00 C ATOM 2029 CD1 PHE A 481 -80.494 -33.584 -32.593 1.00 0.00 C ATOM 2030 CD2 PHE A 481 -82.723 -34.309 -33.021 1.00 0.00 C ATOM 2031 CE1 PHE A 481 -80.275 -34.706 -31.816 1.00 0.00 C ATOM 2032 CE2 PHE A 481 -82.511 -35.432 -32.245 1.00 0.00 C ATOM 2033 CZ PHE A 481 -81.285 -35.630 -31.642 1.00 0.00 C ATOM 0 H PHE A 481 -82.436 -30.961 -36.504 1.00 0.00 H new ATOM 0 HA PHE A 481 -80.095 -32.073 -35.078 1.00 0.00 H new ATOM 0 HB2 PHE A 481 -81.709 -31.257 -33.472 1.00 0.00 H new ATOM 0 HB3 PHE A 481 -83.019 -32.080 -34.295 1.00 0.00 H new ATOM 0 HD1 PHE A 481 -79.700 -32.863 -32.724 1.00 0.00 H new ATOM 0 HD2 PHE A 481 -83.684 -34.159 -33.490 1.00 0.00 H new ATOM 0 HE1 PHE A 481 -79.315 -34.859 -31.346 1.00 0.00 H new ATOM 0 HE2 PHE A 481 -83.303 -36.154 -32.110 1.00 0.00 H new ATOM 0 HZ PHE A 481 -81.117 -36.507 -31.035 1.00 0.00 H new ATOM 2043 N GLY A 482 -80.325 -33.953 -36.702 1.00 0.00 N ATOM 2044 CA GLY A 482 -80.432 -35.152 -37.493 1.00 0.00 C ATOM 2045 C GLY A 482 -80.189 -36.388 -36.670 1.00 0.00 C ATOM 2046 O GLY A 482 -79.026 -36.819 -36.578 1.00 0.00 O ATOM 2047 OXT GLY A 482 -81.154 -36.932 -36.103 1.00 0.00 O ATOM 0 H GLY A 482 -79.378 -33.587 -36.606 1.00 0.00 H new ATOM 0 HA2 GLY A 482 -81.424 -35.204 -37.942 1.00 0.00 H new ATOM 0 HA3 GLY A 482 -79.713 -35.113 -38.311 1.00 0.00 H new