USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=32 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 135:sc= 0.944 USER MOD Set 1.2: A 467 CYS SG : rot -48:sc= 2.97 USER MOD Set 1.3: A 469 THR OG1 : rot -108:sc= 1.27 USER MOD Set 1.4: A 475 CYS SG : rot 68:sc= -0.915 USER MOD Set 1.5: A 479 HIS : no HD1:sc= -0.645 K(o=3.6,f=-7.5!) USER MOD Set 2.1: A 436 CYS SG : rot -165:sc= 1.11 USER MOD Set 2.2: A 439 CYS SG : rot -95:sc= 1.92 USER MOD Set 2.3: A 441 THR OG1 : rot -92:sc= 1.18 USER MOD Set 2.4: A 454 CYS SG : rot -171:sc= 0.643 USER MOD Set 2.5: A 459 CYS SG : rot -158:sc= 0.229 USER MOD Set 3.1: A 382 CYS SG : rot 1:sc= 2.48 USER MOD Set 3.2: A 384 ASN : amide:sc= -1.33! C(o=-6.5!,f=-10!) USER MOD Set 3.3: A 385 CYS SG : rot -40:sc= 0.0571! USER MOD Set 3.4: A 390 HIS : no HD1:sc= -6.55! C(o=-6.5!,f=-21!) USER MOD Set 3.5: A 394 CYS SG : rot 114:sc= -1.13 USER MOD Set 4.1: A 353 CYS SG : rot -159:sc= 0.609 USER MOD Set 4.2: A 358 CYS SG : rot 147:sc= -0.438 USER MOD Set 4.3: A 373 CYS SG : rot -53:sc= 0.366 USER MOD Set 4.4: A 377 CYS SG : rot -177:sc= -3.48! USER MOD Single : A 355 GLN :FLIP amide:sc= -0.377 F(o=-1.8,f=-0.38) USER MOD Single : A 360 MET CE :methyl -179:sc= -1.9 (180deg=-1.93) USER MOD Single : A 368 CYS SG : rot 175:sc= 0.112 USER MOD Single : A 370 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 372 THR OG1 : rot 180:sc= -0.058 USER MOD Single : A 374 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 375 ASN : amide:sc= -0.453 X(o=-0.45,f=0) USER MOD Single : A 379 TYR OH : rot 180:sc= 0 USER MOD Single : A 387 GLN : amide:sc= -0.211 K(o=-0.21,f=-0.87) USER MOD Single : A 389 TYR OH : rot 180:sc= -0.0206 USER MOD Single : A 432 SER OG : rot 180:sc= 0 USER MOD Single : A 433 THR OG1 : rot 51:sc= 0.221 USER MOD Single : A 434 LYS NZ :NH3+ 167:sc= 1.27 (180deg=1.15) USER MOD Single : A 438 LYS NZ :NH3+ -116:sc= 0.267 (180deg=-0.201) USER MOD Single : A 443 THR OG1 : rot 180:sc= 0 USER MOD Single : A 449 CYS SG : rot 180:sc= -1.02 USER MOD Single : A 450 MET CE :methyl -160:sc= -0.195 (180deg=-0.687) USER MOD Single : A 451 HIS : no HD1:sc= 0.535 K(o=0.53,f=-3.4!) USER MOD Single : A 452 MET CE :methyl -125:sc= 0 (180deg=-0.907) USER MOD Single : A 455 THR OG1 : rot 47:sc= 0.341 USER MOD Single : A 468 GLN : amide:sc= -1.04 K(o=-1,f=-4.9!) USER MOD Single : A 472 THR OG1 : rot -75:sc= 0.213 USER MOD Single : A 476 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 123 N GLY A 350 13.726 -74.388 -42.973 1.00 0.00 N ATOM 124 CA GLY A 350 12.637 -75.323 -43.003 1.00 0.00 C ATOM 125 C GLY A 350 11.672 -75.088 -41.873 1.00 0.00 C ATOM 126 O GLY A 350 12.079 -74.752 -40.763 1.00 0.00 O ATOM 0 HA2 GLY A 350 12.111 -75.239 -43.954 1.00 0.00 H new ATOM 0 HA3 GLY A 350 13.028 -76.339 -42.943 1.00 0.00 H new ATOM 130 N VAL A 351 10.399 -75.255 -42.147 1.00 0.00 N ATOM 131 CA VAL A 351 9.378 -75.070 -41.143 1.00 0.00 C ATOM 132 C VAL A 351 8.925 -76.440 -40.627 1.00 0.00 C ATOM 133 O VAL A 351 9.240 -77.470 -41.218 1.00 0.00 O ATOM 134 CB VAL A 351 8.164 -74.250 -41.698 1.00 0.00 C ATOM 135 CG1 VAL A 351 7.295 -75.081 -42.623 1.00 0.00 C ATOM 136 CG2 VAL A 351 7.334 -73.640 -40.573 1.00 0.00 C ATOM 0 H VAL A 351 10.044 -75.521 -43.065 1.00 0.00 H new ATOM 0 HA VAL A 351 9.798 -74.493 -40.319 1.00 0.00 H new ATOM 0 HB VAL A 351 8.581 -73.432 -42.285 1.00 0.00 H new ATOM 0 HG11 VAL A 351 6.465 -74.474 -42.985 1.00 0.00 H new ATOM 0 HG12 VAL A 351 7.890 -75.425 -43.469 1.00 0.00 H new ATOM 0 HG13 VAL A 351 6.905 -75.942 -42.080 1.00 0.00 H new ATOM 0 HG21 VAL A 351 6.502 -73.079 -40.998 1.00 0.00 H new ATOM 0 HG22 VAL A 351 6.948 -74.434 -39.934 1.00 0.00 H new ATOM 0 HG23 VAL A 351 7.959 -72.970 -39.982 1.00 0.00 H new ATOM 146 N LEU A 352 8.223 -76.451 -39.535 1.00 0.00 N ATOM 147 CA LEU A 352 7.756 -77.684 -38.935 1.00 0.00 C ATOM 148 C LEU A 352 6.252 -77.745 -38.976 1.00 0.00 C ATOM 149 O LEU A 352 5.581 -76.730 -38.787 1.00 0.00 O ATOM 150 CB LEU A 352 8.239 -77.810 -37.478 1.00 0.00 C ATOM 151 CG LEU A 352 9.662 -78.353 -37.262 1.00 0.00 C ATOM 152 CD1 LEU A 352 9.802 -79.745 -37.856 1.00 0.00 C ATOM 153 CD2 LEU A 352 10.714 -77.410 -37.833 1.00 0.00 C ATOM 0 H LEU A 352 7.952 -75.609 -39.027 1.00 0.00 H new ATOM 0 HA LEU A 352 8.169 -78.513 -39.509 1.00 0.00 H new ATOM 0 HB2 LEU A 352 8.177 -76.826 -37.014 1.00 0.00 H new ATOM 0 HB3 LEU A 352 7.544 -78.458 -36.945 1.00 0.00 H new ATOM 0 HG LEU A 352 9.831 -78.419 -36.187 1.00 0.00 H new ATOM 0 HD11 LEU A 352 10.816 -80.110 -37.692 1.00 0.00 H new ATOM 0 HD12 LEU A 352 9.092 -80.418 -37.376 1.00 0.00 H new ATOM 0 HD13 LEU A 352 9.599 -79.706 -38.926 1.00 0.00 H new ATOM 0 HD21 LEU A 352 11.707 -77.826 -37.662 1.00 0.00 H new ATOM 0 HD22 LEU A 352 10.551 -77.289 -38.904 1.00 0.00 H new ATOM 0 HD23 LEU A 352 10.638 -76.440 -37.342 1.00 0.00 H new ATOM 165 N CYS A 353 5.722 -78.927 -39.231 1.00 0.00 N ATOM 166 CA CYS A 353 4.291 -79.119 -39.268 1.00 0.00 C ATOM 167 C CYS A 353 3.703 -78.916 -37.875 1.00 0.00 C ATOM 168 O CYS A 353 4.048 -79.634 -36.930 1.00 0.00 O ATOM 169 CB CYS A 353 3.960 -80.508 -39.792 1.00 0.00 C ATOM 170 SG CYS A 353 2.195 -80.785 -40.159 1.00 0.00 S ATOM 0 H CYS A 353 6.267 -79.769 -39.416 1.00 0.00 H new ATOM 0 HA CYS A 353 3.851 -78.384 -39.942 1.00 0.00 H new ATOM 0 HB2 CYS A 353 4.538 -80.686 -40.699 1.00 0.00 H new ATOM 0 HB3 CYS A 353 4.284 -81.245 -39.057 1.00 0.00 H new ATOM 0 HG CYS A 353 1.948 -82.061 -40.163 1.00 0.00 H new ATOM 175 N PRO A 354 2.821 -77.928 -37.736 1.00 0.00 N ATOM 176 CA PRO A 354 2.188 -77.584 -36.464 1.00 0.00 C ATOM 177 C PRO A 354 1.001 -78.483 -36.151 1.00 0.00 C ATOM 178 O PRO A 354 0.288 -78.269 -35.170 1.00 0.00 O ATOM 179 CB PRO A 354 1.717 -76.156 -36.706 1.00 0.00 C ATOM 180 CG PRO A 354 1.395 -76.129 -38.159 1.00 0.00 C ATOM 181 CD PRO A 354 2.366 -77.052 -38.826 1.00 0.00 C ATOM 0 HA PRO A 354 2.864 -77.699 -35.616 1.00 0.00 H new ATOM 0 HB2 PRO A 354 0.845 -75.914 -36.099 1.00 0.00 H new ATOM 0 HB3 PRO A 354 2.491 -75.431 -36.454 1.00 0.00 H new ATOM 0 HG2 PRO A 354 0.369 -76.452 -38.335 1.00 0.00 H new ATOM 0 HG3 PRO A 354 1.484 -75.118 -38.557 1.00 0.00 H new ATOM 0 HD2 PRO A 354 1.892 -77.621 -39.626 1.00 0.00 H new ATOM 0 HD3 PRO A 354 3.196 -76.505 -39.273 1.00 0.00 H new ATOM 189 N GLN A 355 0.782 -79.479 -36.991 1.00 0.00 N ATOM 190 CA GLN A 355 -0.301 -80.402 -36.784 1.00 0.00 C ATOM 191 C GLN A 355 0.174 -81.530 -35.877 1.00 0.00 C ATOM 192 O GLN A 355 1.140 -82.228 -36.202 1.00 0.00 O ATOM 193 CB GLN A 355 -0.798 -80.956 -38.117 1.00 0.00 C ATOM 194 CG GLN A 355 -2.229 -81.470 -38.071 1.00 0.00 C ATOM 195 CD GLN A 355 -2.667 -82.116 -39.372 1.00 0.00 C ATOM 196 OE1 GLN A 355 -2.053 -81.717 -40.465 1.00 0.00 O flip ATOM 197 NE2 GLN A 355 -3.542 -82.981 -39.384 1.00 0.00 N flip ATOM 0 H GLN A 355 1.345 -79.663 -37.822 1.00 0.00 H new ATOM 0 HA GLN A 355 -1.133 -79.883 -36.309 1.00 0.00 H new ATOM 0 HB2 GLN A 355 -0.726 -80.175 -38.874 1.00 0.00 H new ATOM 0 HB3 GLN A 355 -0.140 -81.766 -38.431 1.00 0.00 H new ATOM 0 HG2 GLN A 355 -2.324 -82.194 -37.262 1.00 0.00 H new ATOM 0 HG3 GLN A 355 -2.899 -80.643 -37.838 1.00 0.00 H new ATOM 0 HE21 GLN A 355 -3.993 -83.262 -38.514 1.00 0.00 H new ATOM 0 HE22 GLN A 355 -3.816 -83.417 -40.264 1.00 0.00 H new ATOM 206 N PRO A 356 -0.487 -81.717 -34.727 1.00 0.00 N ATOM 207 CA PRO A 356 -0.097 -82.727 -33.739 1.00 0.00 C ATOM 208 C PRO A 356 -0.075 -84.139 -34.314 1.00 0.00 C ATOM 209 O PRO A 356 -1.121 -84.701 -34.657 1.00 0.00 O ATOM 210 CB PRO A 356 -1.171 -82.610 -32.652 1.00 0.00 C ATOM 211 CG PRO A 356 -2.298 -81.875 -33.291 1.00 0.00 C ATOM 212 CD PRO A 356 -1.678 -80.968 -34.303 1.00 0.00 C ATOM 0 HA PRO A 356 0.916 -82.556 -33.375 1.00 0.00 H new ATOM 0 HB2 PRO A 356 -1.489 -83.593 -32.306 1.00 0.00 H new ATOM 0 HB3 PRO A 356 -0.794 -82.072 -31.782 1.00 0.00 H new ATOM 0 HG2 PRO A 356 -2.997 -82.566 -33.763 1.00 0.00 H new ATOM 0 HG3 PRO A 356 -2.862 -81.307 -32.552 1.00 0.00 H new ATOM 0 HD2 PRO A 356 -2.351 -80.773 -35.138 1.00 0.00 H new ATOM 0 HD3 PRO A 356 -1.416 -80.001 -33.873 1.00 0.00 H new ATOM 220 N GLY A 357 1.116 -84.703 -34.421 1.00 0.00 N ATOM 221 CA GLY A 357 1.264 -86.041 -34.950 1.00 0.00 C ATOM 222 C GLY A 357 2.252 -86.101 -36.095 1.00 0.00 C ATOM 223 O GLY A 357 2.458 -87.160 -36.697 1.00 0.00 O ATOM 0 H GLY A 357 1.990 -84.254 -34.148 1.00 0.00 H new ATOM 0 HA2 GLY A 357 1.593 -86.709 -34.154 1.00 0.00 H new ATOM 0 HA3 GLY A 357 0.294 -86.404 -35.291 1.00 0.00 H new ATOM 227 N CYS A 358 2.870 -84.967 -36.398 1.00 0.00 N ATOM 228 CA CYS A 358 3.825 -84.897 -37.482 1.00 0.00 C ATOM 229 C CYS A 358 5.225 -84.634 -36.960 1.00 0.00 C ATOM 230 O CYS A 358 5.971 -85.569 -36.654 1.00 0.00 O ATOM 231 CB CYS A 358 3.422 -83.812 -38.479 1.00 0.00 C ATOM 232 SG CYS A 358 4.407 -83.773 -40.019 1.00 0.00 S ATOM 0 H CYS A 358 2.723 -84.086 -35.905 1.00 0.00 H new ATOM 0 HA CYS A 358 3.826 -85.861 -37.991 1.00 0.00 H new ATOM 0 HB2 CYS A 358 2.373 -83.951 -38.740 1.00 0.00 H new ATOM 0 HB3 CYS A 358 3.503 -82.842 -37.989 1.00 0.00 H new ATOM 0 HG CYS A 358 3.652 -83.393 -41.007 1.00 0.00 H new ATOM 237 N GLY A 359 5.580 -83.354 -36.852 1.00 0.00 N ATOM 238 CA GLY A 359 6.910 -82.980 -36.418 1.00 0.00 C ATOM 239 C GLY A 359 7.974 -83.513 -37.357 1.00 0.00 C ATOM 240 O GLY A 359 9.127 -83.679 -36.971 1.00 0.00 O ATOM 0 H GLY A 359 4.963 -82.568 -37.060 1.00 0.00 H new ATOM 0 HA2 GLY A 359 6.983 -81.894 -36.363 1.00 0.00 H new ATOM 0 HA3 GLY A 359 7.086 -83.363 -35.413 1.00 0.00 H new ATOM 244 N MET A 360 7.571 -83.786 -38.590 1.00 0.00 N ATOM 245 CA MET A 360 8.460 -84.349 -39.597 1.00 0.00 C ATOM 246 C MET A 360 9.469 -83.317 -40.086 1.00 0.00 C ATOM 247 O MET A 360 10.649 -83.378 -39.741 1.00 0.00 O ATOM 248 CB MET A 360 7.632 -84.896 -40.765 1.00 0.00 C ATOM 249 CG MET A 360 8.445 -85.438 -41.931 1.00 0.00 C ATOM 250 SD MET A 360 7.393 -86.097 -43.245 1.00 0.00 S ATOM 251 CE MET A 360 6.338 -84.684 -43.583 1.00 0.00 C ATOM 0 H MET A 360 6.620 -83.624 -38.920 1.00 0.00 H new ATOM 0 HA MET A 360 9.024 -85.165 -39.145 1.00 0.00 H new ATOM 0 HB2 MET A 360 6.986 -85.690 -40.392 1.00 0.00 H new ATOM 0 HB3 MET A 360 6.982 -84.102 -41.133 1.00 0.00 H new ATOM 0 HG2 MET A 360 9.074 -84.644 -42.334 1.00 0.00 H new ATOM 0 HG3 MET A 360 9.112 -86.222 -41.574 1.00 0.00 H new ATOM 0 HE1 MET A 360 5.621 -84.943 -44.362 1.00 0.00 H new ATOM 0 HE2 MET A 360 5.802 -84.405 -42.676 1.00 0.00 H new ATOM 0 HE3 MET A 360 6.949 -83.845 -43.917 1.00 0.00 H new ATOM 261 N GLY A 361 9.000 -82.370 -40.874 1.00 0.00 N ATOM 262 CA GLY A 361 9.877 -81.355 -41.404 1.00 0.00 C ATOM 263 C GLY A 361 9.430 -80.886 -42.761 1.00 0.00 C ATOM 264 O GLY A 361 9.305 -81.679 -43.691 1.00 0.00 O ATOM 0 H GLY A 361 8.024 -82.285 -41.158 1.00 0.00 H new ATOM 0 HA2 GLY A 361 9.909 -80.508 -40.719 1.00 0.00 H new ATOM 0 HA3 GLY A 361 10.891 -81.749 -41.471 1.00 0.00 H new ATOM 268 N LEU A 362 9.176 -79.607 -42.868 1.00 0.00 N ATOM 269 CA LEU A 362 8.712 -79.008 -44.099 1.00 0.00 C ATOM 270 C LEU A 362 9.784 -78.106 -44.679 1.00 0.00 C ATOM 271 O LEU A 362 10.323 -77.248 -43.994 1.00 0.00 O ATOM 272 CB LEU A 362 7.436 -78.201 -43.840 1.00 0.00 C ATOM 273 CG LEU A 362 6.101 -78.973 -43.853 1.00 0.00 C ATOM 274 CD1 LEU A 362 5.864 -79.626 -45.205 1.00 0.00 C ATOM 275 CD2 LEU A 362 6.050 -80.010 -42.740 1.00 0.00 C ATOM 0 H LEU A 362 9.285 -78.945 -42.100 1.00 0.00 H new ATOM 0 HA LEU A 362 8.493 -79.801 -44.814 1.00 0.00 H new ATOM 0 HB2 LEU A 362 7.535 -77.713 -42.870 1.00 0.00 H new ATOM 0 HB3 LEU A 362 7.377 -77.411 -44.589 1.00 0.00 H new ATOM 0 HG LEU A 362 5.303 -78.252 -43.676 1.00 0.00 H new ATOM 0 HD11 LEU A 362 4.916 -80.164 -45.188 1.00 0.00 H new ATOM 0 HD12 LEU A 362 5.832 -78.859 -45.979 1.00 0.00 H new ATOM 0 HD13 LEU A 362 6.674 -80.324 -45.419 1.00 0.00 H new ATOM 0 HD21 LEU A 362 5.096 -80.537 -42.777 1.00 0.00 H new ATOM 0 HD22 LEU A 362 6.864 -80.723 -42.870 1.00 0.00 H new ATOM 0 HD23 LEU A 362 6.153 -79.514 -41.775 1.00 0.00 H new ATOM 287 N LEU A 363 10.082 -78.300 -45.929 1.00 0.00 N ATOM 288 CA LEU A 363 11.099 -77.509 -46.592 1.00 0.00 C ATOM 289 C LEU A 363 10.505 -76.228 -47.145 1.00 0.00 C ATOM 290 O LEU A 363 9.485 -76.251 -47.846 1.00 0.00 O ATOM 291 CB LEU A 363 11.765 -78.299 -47.708 1.00 0.00 C ATOM 292 CG LEU A 363 12.920 -77.585 -48.410 1.00 0.00 C ATOM 293 CD1 LEU A 363 14.049 -77.288 -47.432 1.00 0.00 C ATOM 294 CD2 LEU A 363 13.424 -78.414 -49.562 1.00 0.00 C ATOM 0 H LEU A 363 9.637 -79.002 -46.521 1.00 0.00 H new ATOM 0 HA LEU A 363 11.857 -77.254 -45.851 1.00 0.00 H new ATOM 0 HB2 LEU A 363 12.136 -79.238 -47.296 1.00 0.00 H new ATOM 0 HB3 LEU A 363 11.010 -78.553 -48.452 1.00 0.00 H new ATOM 0 HG LEU A 363 12.550 -76.636 -48.798 1.00 0.00 H new ATOM 0 HD11 LEU A 363 14.859 -76.780 -47.955 1.00 0.00 H new ATOM 0 HD12 LEU A 363 13.678 -76.649 -46.631 1.00 0.00 H new ATOM 0 HD13 LEU A 363 14.419 -78.222 -47.009 1.00 0.00 H new ATOM 0 HD21 LEU A 363 14.246 -77.893 -50.053 1.00 0.00 H new ATOM 0 HD22 LEU A 363 13.774 -79.377 -49.191 1.00 0.00 H new ATOM 0 HD23 LEU A 363 12.617 -78.572 -50.277 1.00 0.00 H new ATOM 306 N VAL A 364 11.142 -75.116 -46.838 1.00 0.00 N ATOM 307 CA VAL A 364 10.669 -73.825 -47.291 1.00 0.00 C ATOM 308 C VAL A 364 11.746 -73.118 -48.105 1.00 0.00 C ATOM 309 O VAL A 364 12.571 -72.376 -47.566 1.00 0.00 O ATOM 310 CB VAL A 364 10.232 -72.913 -46.115 1.00 0.00 C ATOM 311 CG1 VAL A 364 9.636 -71.608 -46.635 1.00 0.00 C ATOM 312 CG2 VAL A 364 9.236 -73.630 -45.222 1.00 0.00 C ATOM 0 H VAL A 364 11.992 -75.081 -46.275 1.00 0.00 H new ATOM 0 HA VAL A 364 9.795 -74.011 -47.915 1.00 0.00 H new ATOM 0 HB VAL A 364 11.117 -72.676 -45.524 1.00 0.00 H new ATOM 0 HG11 VAL A 364 9.336 -70.984 -45.793 1.00 0.00 H new ATOM 0 HG12 VAL A 364 10.380 -71.080 -47.231 1.00 0.00 H new ATOM 0 HG13 VAL A 364 8.765 -71.827 -47.253 1.00 0.00 H new ATOM 0 HG21 VAL A 364 8.942 -72.973 -44.403 1.00 0.00 H new ATOM 0 HG22 VAL A 364 8.355 -73.901 -45.804 1.00 0.00 H new ATOM 0 HG23 VAL A 364 9.694 -74.532 -44.817 1.00 0.00 H new ATOM 322 N GLU A 365 11.765 -73.393 -49.389 1.00 0.00 N ATOM 323 CA GLU A 365 12.706 -72.760 -50.296 1.00 0.00 C ATOM 324 C GLU A 365 12.266 -71.327 -50.579 1.00 0.00 C ATOM 325 O GLU A 365 11.133 -70.960 -50.270 1.00 0.00 O ATOM 326 CB GLU A 365 12.769 -73.540 -51.604 1.00 0.00 C ATOM 327 CG GLU A 365 13.315 -74.942 -51.471 1.00 0.00 C ATOM 328 CD GLU A 365 13.424 -75.621 -52.807 1.00 0.00 C ATOM 329 OE1 GLU A 365 14.364 -75.301 -53.561 1.00 0.00 O1- ATOM 330 OE2 GLU A 365 12.555 -76.455 -53.129 1.00 0.00 O ATOM 0 H GLU A 365 11.134 -74.058 -49.836 1.00 0.00 H new ATOM 0 HA GLU A 365 13.693 -72.751 -49.834 1.00 0.00 H new ATOM 0 HB2 GLU A 365 11.767 -73.593 -52.030 1.00 0.00 H new ATOM 0 HB3 GLU A 365 13.387 -72.988 -52.312 1.00 0.00 H new ATOM 0 HG2 GLU A 365 14.297 -74.908 -50.998 1.00 0.00 H new ATOM 0 HG3 GLU A 365 12.667 -75.525 -50.817 1.00 0.00 H new ATOM 337 N PRO A 366 13.146 -70.489 -51.174 1.00 0.00 N ATOM 338 CA PRO A 366 12.792 -69.108 -51.537 1.00 0.00 C ATOM 339 C PRO A 366 11.593 -69.061 -52.492 1.00 0.00 C ATOM 340 O PRO A 366 10.882 -68.064 -52.563 1.00 0.00 O ATOM 341 CB PRO A 366 14.053 -68.585 -52.239 1.00 0.00 C ATOM 342 CG PRO A 366 15.156 -69.446 -51.729 1.00 0.00 C ATOM 343 CD PRO A 366 14.552 -70.802 -51.512 1.00 0.00 C ATOM 0 HA PRO A 366 12.500 -68.517 -50.669 1.00 0.00 H new ATOM 0 HB2 PRO A 366 13.962 -68.659 -53.323 1.00 0.00 H new ATOM 0 HB3 PRO A 366 14.230 -67.535 -52.005 1.00 0.00 H new ATOM 0 HG2 PRO A 366 15.977 -69.494 -52.445 1.00 0.00 H new ATOM 0 HG3 PRO A 366 15.565 -69.048 -50.801 1.00 0.00 H new ATOM 0 HD2 PRO A 366 14.624 -71.424 -52.405 1.00 0.00 H new ATOM 0 HD3 PRO A 366 15.050 -71.342 -50.707 1.00 0.00 H new ATOM 351 N ASP A 367 11.378 -70.156 -53.216 1.00 0.00 N ATOM 352 CA ASP A 367 10.265 -70.256 -54.159 1.00 0.00 C ATOM 353 C ASP A 367 9.094 -71.034 -53.582 1.00 0.00 C ATOM 354 O ASP A 367 8.088 -71.245 -54.260 1.00 0.00 O ATOM 355 CB ASP A 367 10.717 -70.888 -55.473 1.00 0.00 C ATOM 356 CG ASP A 367 11.173 -69.863 -56.484 1.00 0.00 C ATOM 357 OD1 ASP A 367 12.002 -69.001 -56.141 1.00 0.00 O1- ATOM 358 OD2 ASP A 367 10.675 -69.898 -57.627 1.00 0.00 O ATOM 0 H ASP A 367 11.962 -70.991 -53.168 1.00 0.00 H new ATOM 0 HA ASP A 367 9.925 -69.239 -54.353 1.00 0.00 H new ATOM 0 HB2 ASP A 367 11.531 -71.585 -55.275 1.00 0.00 H new ATOM 0 HB3 ASP A 367 9.896 -71.468 -55.894 1.00 0.00 H new ATOM 363 N CYS A 368 9.216 -71.453 -52.334 1.00 0.00 N ATOM 364 CA CYS A 368 8.144 -72.185 -51.687 1.00 0.00 C ATOM 365 C CYS A 368 7.142 -71.201 -51.104 1.00 0.00 C ATOM 366 O CYS A 368 7.244 -70.796 -49.943 1.00 0.00 O ATOM 367 CB CYS A 368 8.695 -73.115 -50.597 1.00 0.00 C ATOM 368 SG CYS A 368 7.465 -74.202 -49.833 1.00 0.00 S ATOM 0 H CYS A 368 10.040 -71.300 -51.753 1.00 0.00 H new ATOM 0 HA CYS A 368 7.642 -72.809 -52.427 1.00 0.00 H new ATOM 0 HB2 CYS A 368 9.484 -73.730 -51.029 1.00 0.00 H new ATOM 0 HB3 CYS A 368 9.155 -72.506 -49.818 1.00 0.00 H new ATOM 0 HG CYS A 368 8.057 -75.019 -49.014 1.00 0.00 H new ATOM 374 N ARG A 369 6.196 -70.795 -51.926 1.00 0.00 N ATOM 375 CA ARG A 369 5.204 -69.822 -51.526 1.00 0.00 C ATOM 376 C ARG A 369 3.869 -70.511 -51.267 1.00 0.00 C ATOM 377 O ARG A 369 2.809 -69.889 -51.297 1.00 0.00 O ATOM 378 CB ARG A 369 5.068 -68.747 -52.605 1.00 0.00 C ATOM 379 CG ARG A 369 4.562 -67.411 -52.086 1.00 0.00 C ATOM 380 CD ARG A 369 4.686 -66.330 -53.145 1.00 0.00 C ATOM 381 NE ARG A 369 4.446 -64.995 -52.597 1.00 0.00 N ATOM 382 CZ ARG A 369 5.412 -64.135 -52.259 1.00 0.00 C ATOM 383 NH1 ARG A 369 6.690 -64.472 -52.403 1.00 0.00 N1+ ATOM 384 NH2 ARG A 369 5.096 -62.937 -51.781 1.00 0.00 N ATOM 0 H ARG A 369 6.094 -71.129 -52.884 1.00 0.00 H new ATOM 0 HA ARG A 369 5.521 -69.341 -50.601 1.00 0.00 H new ATOM 0 HB2 ARG A 369 6.038 -68.597 -53.079 1.00 0.00 H new ATOM 0 HB3 ARG A 369 4.388 -69.106 -53.378 1.00 0.00 H new ATOM 0 HG2 ARG A 369 3.520 -67.507 -51.781 1.00 0.00 H new ATOM 0 HG3 ARG A 369 5.129 -67.123 -51.200 1.00 0.00 H new ATOM 0 HD2 ARG A 369 5.682 -66.367 -53.586 1.00 0.00 H new ATOM 0 HD3 ARG A 369 3.975 -66.526 -53.948 1.00 0.00 H new ATOM 0 HE ARG A 369 3.478 -64.701 -52.464 1.00 0.00 H new ATOM 0 HH11 ARG A 369 6.937 -65.390 -52.773 1.00 0.00 H new ATOM 0 HH12 ARG A 369 7.424 -63.812 -52.144 1.00 0.00 H new ATOM 0 HH21 ARG A 369 4.117 -62.674 -51.672 1.00 0.00 H new ATOM 0 HH22 ARG A 369 5.833 -62.280 -51.523 1.00 0.00 H new ATOM 398 N LYS A 370 3.940 -71.799 -51.007 1.00 0.00 N ATOM 399 CA LYS A 370 2.774 -72.595 -50.695 1.00 0.00 C ATOM 400 C LYS A 370 3.195 -73.812 -49.895 1.00 0.00 C ATOM 401 O LYS A 370 3.870 -74.704 -50.406 1.00 0.00 O ATOM 402 CB LYS A 370 2.045 -73.002 -51.977 1.00 0.00 C ATOM 403 CG LYS A 370 0.783 -73.842 -51.760 1.00 0.00 C ATOM 404 CD LYS A 370 -0.282 -73.100 -50.946 1.00 0.00 C ATOM 405 CE LYS A 370 -0.530 -71.699 -51.487 1.00 0.00 C ATOM 406 NZ LYS A 370 -1.858 -71.165 -51.087 1.00 0.00 N1+ ATOM 0 H LYS A 370 4.814 -72.326 -51.006 1.00 0.00 H new ATOM 0 HA LYS A 370 2.081 -72.004 -50.095 1.00 0.00 H new ATOM 0 HB2 LYS A 370 1.774 -72.100 -52.526 1.00 0.00 H new ATOM 0 HB3 LYS A 370 2.734 -73.564 -52.607 1.00 0.00 H new ATOM 0 HG2 LYS A 370 0.366 -74.123 -52.727 1.00 0.00 H new ATOM 0 HG3 LYS A 370 1.049 -74.766 -51.247 1.00 0.00 H new ATOM 0 HD2 LYS A 370 -1.213 -73.667 -50.963 1.00 0.00 H new ATOM 0 HD3 LYS A 370 0.034 -73.037 -49.905 1.00 0.00 H new ATOM 0 HE2 LYS A 370 0.251 -71.030 -51.127 1.00 0.00 H new ATOM 0 HE3 LYS A 370 -0.460 -71.715 -52.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 370 -1.980 -70.209 -51.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 370 -2.607 -71.788 -51.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 370 -1.917 -71.124 -50.050 1.00 0.00 H new ATOM 420 N VAL A 371 2.816 -73.831 -48.639 1.00 0.00 N ATOM 421 CA VAL A 371 3.207 -74.894 -47.744 1.00 0.00 C ATOM 422 C VAL A 371 2.044 -75.844 -47.456 1.00 0.00 C ATOM 423 O VAL A 371 0.938 -75.417 -47.107 1.00 0.00 O ATOM 424 CB VAL A 371 3.776 -74.318 -46.423 1.00 0.00 C ATOM 425 CG1 VAL A 371 2.784 -73.402 -45.760 1.00 0.00 C ATOM 426 CG2 VAL A 371 4.230 -75.421 -45.480 1.00 0.00 C ATOM 0 H VAL A 371 2.231 -73.114 -48.210 1.00 0.00 H new ATOM 0 HA VAL A 371 3.990 -75.468 -48.240 1.00 0.00 H new ATOM 0 HB VAL A 371 4.657 -73.727 -46.675 1.00 0.00 H new ATOM 0 HG11 VAL A 371 3.210 -73.012 -44.835 1.00 0.00 H new ATOM 0 HG12 VAL A 371 2.550 -72.574 -46.429 1.00 0.00 H new ATOM 0 HG13 VAL A 371 1.872 -73.955 -45.535 1.00 0.00 H new ATOM 0 HG21 VAL A 371 4.623 -74.978 -44.565 1.00 0.00 H new ATOM 0 HG22 VAL A 371 3.384 -76.064 -45.238 1.00 0.00 H new ATOM 0 HG23 VAL A 371 5.009 -76.013 -45.960 1.00 0.00 H new ATOM 436 N THR A 372 2.292 -77.121 -47.647 1.00 0.00 N ATOM 437 CA THR A 372 1.309 -78.156 -47.390 1.00 0.00 C ATOM 438 C THR A 372 2.027 -79.455 -47.044 1.00 0.00 C ATOM 439 O THR A 372 3.019 -79.807 -47.690 1.00 0.00 O ATOM 440 CB THR A 372 0.410 -78.387 -48.627 1.00 0.00 C ATOM 441 OG1 THR A 372 -0.191 -77.149 -49.030 1.00 0.00 O ATOM 442 CG2 THR A 372 -0.683 -79.407 -48.328 1.00 0.00 C ATOM 0 H THR A 372 3.186 -77.475 -47.987 1.00 0.00 H new ATOM 0 HA THR A 372 0.680 -77.837 -46.559 1.00 0.00 H new ATOM 0 HB THR A 372 1.035 -78.774 -49.432 1.00 0.00 H new ATOM 0 HG1 THR A 372 -0.758 -77.301 -49.815 1.00 0.00 H new ATOM 0 HG21 THR A 372 -1.300 -79.550 -49.215 1.00 0.00 H new ATOM 0 HG22 THR A 372 -0.228 -80.356 -48.046 1.00 0.00 H new ATOM 0 HG23 THR A 372 -1.304 -79.045 -47.509 1.00 0.00 H new ATOM 450 N CYS A 373 1.539 -80.170 -46.035 1.00 0.00 N ATOM 451 CA CYS A 373 2.160 -81.423 -45.636 1.00 0.00 C ATOM 452 C CYS A 373 1.726 -82.545 -46.570 1.00 0.00 C ATOM 453 O CYS A 373 1.106 -83.518 -46.150 1.00 0.00 O ATOM 454 CB CYS A 373 1.790 -81.778 -44.199 1.00 0.00 C ATOM 455 SG CYS A 373 3.023 -82.792 -43.309 1.00 0.00 S ATOM 0 H CYS A 373 0.722 -79.904 -45.484 1.00 0.00 H new ATOM 0 HA CYS A 373 3.241 -81.301 -45.697 1.00 0.00 H new ATOM 0 HB2 CYS A 373 1.632 -80.854 -43.642 1.00 0.00 H new ATOM 0 HB3 CYS A 373 0.840 -82.312 -44.206 1.00 0.00 H new ATOM 0 HG CYS A 373 3.295 -83.855 -44.006 1.00 0.00 H new ATOM 460 N GLN A 374 2.048 -82.403 -47.840 1.00 0.00 N ATOM 461 CA GLN A 374 1.716 -83.419 -48.827 1.00 0.00 C ATOM 462 C GLN A 374 2.576 -84.659 -48.615 1.00 0.00 C ATOM 463 O GLN A 374 2.378 -85.686 -49.250 1.00 0.00 O ATOM 464 CB GLN A 374 1.887 -82.875 -50.253 1.00 0.00 C ATOM 465 CG GLN A 374 3.234 -82.223 -50.521 1.00 0.00 C ATOM 466 CD GLN A 374 3.399 -81.812 -51.971 1.00 0.00 C ATOM 467 OE1 GLN A 374 3.894 -82.581 -52.793 1.00 0.00 O ATOM 468 NE2 GLN A 374 2.968 -80.612 -52.299 1.00 0.00 N ATOM 0 H GLN A 374 2.540 -81.593 -48.217 1.00 0.00 H new ATOM 0 HA GLN A 374 0.670 -83.696 -48.699 1.00 0.00 H new ATOM 0 HB2 GLN A 374 1.746 -83.693 -50.960 1.00 0.00 H new ATOM 0 HB3 GLN A 374 1.100 -82.147 -50.447 1.00 0.00 H new ATOM 0 HG2 GLN A 374 3.343 -81.346 -49.883 1.00 0.00 H new ATOM 0 HG3 GLN A 374 4.030 -82.916 -50.250 1.00 0.00 H new ATOM 0 HE21 GLN A 374 2.563 -80.003 -51.588 1.00 0.00 H new ATOM 0 HE22 GLN A 374 3.039 -80.291 -53.265 1.00 0.00 H new ATOM 477 N ASN A 375 3.523 -84.542 -47.699 1.00 0.00 N ATOM 478 CA ASN A 375 4.439 -85.621 -47.377 1.00 0.00 C ATOM 479 C ASN A 375 3.989 -86.345 -46.110 1.00 0.00 C ATOM 480 O ASN A 375 4.597 -87.334 -45.695 1.00 0.00 O ATOM 481 CB ASN A 375 5.848 -85.059 -47.176 1.00 0.00 C ATOM 482 CG ASN A 375 6.364 -84.288 -48.380 1.00 0.00 C ATOM 483 OD1 ASN A 375 7.039 -83.272 -48.228 1.00 0.00 O ATOM 484 ND2 ASN A 375 6.072 -84.770 -49.571 1.00 0.00 N ATOM 0 H ASN A 375 3.678 -83.692 -47.156 1.00 0.00 H new ATOM 0 HA ASN A 375 4.445 -86.332 -48.203 1.00 0.00 H new ATOM 0 HB2 ASN A 375 5.850 -84.403 -46.305 1.00 0.00 H new ATOM 0 HB3 ASN A 375 6.532 -85.880 -46.958 1.00 0.00 H new ATOM 0 HD21 ASN A 375 6.409 -84.297 -50.409 1.00 0.00 H new ATOM 0 HD22 ASN A 375 5.509 -85.616 -49.655 1.00 0.00 H new ATOM 491 N GLY A 376 2.929 -85.840 -45.494 1.00 0.00 N ATOM 492 CA GLY A 376 2.414 -86.441 -44.282 1.00 0.00 C ATOM 493 C GLY A 376 0.968 -86.069 -44.036 1.00 0.00 C ATOM 494 O GLY A 376 0.083 -86.433 -44.818 1.00 0.00 O ATOM 0 H GLY A 376 2.415 -85.020 -45.815 1.00 0.00 H new ATOM 0 HA2 GLY A 376 2.503 -87.525 -44.349 1.00 0.00 H new ATOM 0 HA3 GLY A 376 3.020 -86.123 -43.434 1.00 0.00 H new ATOM 498 N CYS A 377 0.723 -85.356 -42.957 1.00 0.00 N ATOM 499 CA CYS A 377 -0.612 -84.891 -42.620 1.00 0.00 C ATOM 500 C CYS A 377 -0.887 -83.560 -43.310 1.00 0.00 C ATOM 501 O CYS A 377 -0.566 -82.500 -42.785 1.00 0.00 O ATOM 502 CB CYS A 377 -0.733 -84.757 -41.114 1.00 0.00 C ATOM 503 SG CYS A 377 0.790 -84.163 -40.326 1.00 0.00 S ATOM 0 H CYS A 377 1.441 -85.081 -42.287 1.00 0.00 H new ATOM 0 HA CYS A 377 -1.352 -85.612 -42.967 1.00 0.00 H new ATOM 0 HB2 CYS A 377 -1.547 -84.071 -40.881 1.00 0.00 H new ATOM 0 HB3 CYS A 377 -1.001 -85.725 -40.690 1.00 0.00 H new ATOM 0 HG CYS A 377 0.628 -84.133 -39.036 1.00 0.00 H new ATOM 508 N GLY A 378 -1.517 -83.629 -44.460 1.00 0.00 N ATOM 509 CA GLY A 378 -1.695 -82.467 -45.294 1.00 0.00 C ATOM 510 C GLY A 378 -2.632 -81.438 -44.735 1.00 0.00 C ATOM 511 O GLY A 378 -3.829 -81.674 -44.585 1.00 0.00 O ATOM 0 H GLY A 378 -1.917 -84.487 -44.840 1.00 0.00 H new ATOM 0 HA2 GLY A 378 -0.723 -82.003 -45.461 1.00 0.00 H new ATOM 0 HA3 GLY A 378 -2.066 -82.787 -46.267 1.00 0.00 H new ATOM 515 N TYR A 379 -2.066 -80.296 -44.415 1.00 0.00 N ATOM 516 CA TYR A 379 -2.796 -79.156 -43.929 1.00 0.00 C ATOM 517 C TYR A 379 -2.052 -77.896 -44.337 1.00 0.00 C ATOM 518 O TYR A 379 -0.829 -77.832 -44.217 1.00 0.00 O ATOM 519 CB TYR A 379 -2.940 -79.226 -42.399 1.00 0.00 C ATOM 520 CG TYR A 379 -3.562 -77.995 -41.769 1.00 0.00 C ATOM 521 CD1 TYR A 379 -4.900 -77.682 -41.974 1.00 0.00 C ATOM 522 CD2 TYR A 379 -2.806 -77.149 -40.965 1.00 0.00 C ATOM 523 CE1 TYR A 379 -5.468 -76.561 -41.398 1.00 0.00 C ATOM 524 CE2 TYR A 379 -3.365 -76.027 -40.386 1.00 0.00 C ATOM 525 CZ TYR A 379 -4.694 -75.736 -40.604 1.00 0.00 C ATOM 526 OH TYR A 379 -5.253 -74.615 -40.029 1.00 0.00 O ATOM 0 H TYR A 379 -1.062 -80.135 -44.489 1.00 0.00 H new ATOM 0 HA TYR A 379 -3.798 -79.146 -44.359 1.00 0.00 H new ATOM 0 HB2 TYR A 379 -3.546 -80.095 -42.143 1.00 0.00 H new ATOM 0 HB3 TYR A 379 -1.955 -79.384 -41.961 1.00 0.00 H new ATOM 0 HD1 TYR A 379 -5.507 -78.325 -42.594 1.00 0.00 H new ATOM 0 HD2 TYR A 379 -1.764 -77.373 -40.790 1.00 0.00 H new ATOM 0 HE1 TYR A 379 -6.510 -76.331 -41.567 1.00 0.00 H new ATOM 0 HE2 TYR A 379 -2.763 -75.380 -39.765 1.00 0.00 H new ATOM 0 HH TYR A 379 -4.574 -74.145 -39.501 1.00 0.00 H new ATOM 536 N VAL A 380 -2.771 -76.924 -44.858 1.00 0.00 N ATOM 537 CA VAL A 380 -2.159 -75.669 -45.256 1.00 0.00 C ATOM 538 C VAL A 380 -2.100 -74.713 -44.065 1.00 0.00 C ATOM 539 O VAL A 380 -3.078 -74.558 -43.330 1.00 0.00 O ATOM 540 CB VAL A 380 -2.912 -75.009 -46.449 1.00 0.00 C ATOM 541 CG1 VAL A 380 -4.369 -74.723 -46.101 1.00 0.00 C ATOM 542 CG2 VAL A 380 -2.204 -73.737 -46.901 1.00 0.00 C ATOM 0 H VAL A 380 -3.777 -76.976 -45.016 1.00 0.00 H new ATOM 0 HA VAL A 380 -1.145 -75.885 -45.592 1.00 0.00 H new ATOM 0 HB VAL A 380 -2.903 -75.719 -47.276 1.00 0.00 H new ATOM 0 HG11 VAL A 380 -4.864 -74.263 -46.956 1.00 0.00 H new ATOM 0 HG12 VAL A 380 -4.873 -75.656 -45.849 1.00 0.00 H new ATOM 0 HG13 VAL A 380 -4.413 -74.045 -45.248 1.00 0.00 H new ATOM 0 HG21 VAL A 380 -2.749 -73.294 -47.735 1.00 0.00 H new ATOM 0 HG22 VAL A 380 -2.167 -73.028 -46.074 1.00 0.00 H new ATOM 0 HG23 VAL A 380 -1.189 -73.978 -47.217 1.00 0.00 H new ATOM 552 N PHE A 381 -0.955 -74.089 -43.861 1.00 0.00 N ATOM 553 CA PHE A 381 -0.788 -73.181 -42.746 1.00 0.00 C ATOM 554 C PHE A 381 0.175 -72.095 -43.128 1.00 0.00 C ATOM 555 O PHE A 381 0.713 -72.112 -44.216 1.00 0.00 O ATOM 556 CB PHE A 381 -0.304 -73.934 -41.489 1.00 0.00 C ATOM 557 CG PHE A 381 0.967 -74.727 -41.683 1.00 0.00 C ATOM 558 CD1 PHE A 381 0.938 -75.985 -42.269 1.00 0.00 C ATOM 559 CD2 PHE A 381 2.184 -74.216 -41.276 1.00 0.00 C ATOM 560 CE1 PHE A 381 2.100 -76.712 -42.443 1.00 0.00 C ATOM 561 CE2 PHE A 381 3.348 -74.933 -41.446 1.00 0.00 C ATOM 562 CZ PHE A 381 3.308 -76.184 -42.030 1.00 0.00 C ATOM 0 H PHE A 381 -0.130 -74.195 -44.452 1.00 0.00 H new ATOM 0 HA PHE A 381 -1.751 -72.732 -42.505 1.00 0.00 H new ATOM 0 HB2 PHE A 381 -0.148 -73.213 -40.687 1.00 0.00 H new ATOM 0 HB3 PHE A 381 -1.093 -74.611 -41.160 1.00 0.00 H new ATOM 0 HD1 PHE A 381 -0.005 -76.401 -42.593 1.00 0.00 H new ATOM 0 HD2 PHE A 381 2.224 -73.239 -40.817 1.00 0.00 H new ATOM 0 HE1 PHE A 381 2.064 -77.690 -42.900 1.00 0.00 H new ATOM 0 HE2 PHE A 381 4.291 -74.517 -41.123 1.00 0.00 H new ATOM 0 HZ PHE A 381 4.219 -76.748 -42.164 1.00 0.00 H new ATOM 572 N CYS A 382 0.379 -71.138 -42.254 1.00 0.00 N ATOM 573 CA CYS A 382 1.305 -70.076 -42.548 1.00 0.00 C ATOM 574 C CYS A 382 2.693 -70.527 -42.148 1.00 0.00 C ATOM 575 O CYS A 382 2.846 -71.345 -41.261 1.00 0.00 O ATOM 576 CB CYS A 382 0.907 -68.791 -41.808 1.00 0.00 C ATOM 577 SG CYS A 382 1.829 -67.295 -42.314 1.00 0.00 S ATOM 0 H CYS A 382 -0.079 -71.074 -41.345 1.00 0.00 H new ATOM 0 HA CYS A 382 1.289 -69.853 -43.615 1.00 0.00 H new ATOM 0 HB2 CYS A 382 -0.157 -68.614 -41.963 1.00 0.00 H new ATOM 0 HB3 CYS A 382 1.052 -68.945 -40.739 1.00 0.00 H new ATOM 0 HG CYS A 382 2.671 -67.602 -43.256 1.00 0.00 H new ATOM 582 N ARG A 383 3.695 -70.020 -42.799 1.00 0.00 N ATOM 583 CA ARG A 383 5.050 -70.398 -42.453 1.00 0.00 C ATOM 584 C ARG A 383 5.517 -69.609 -41.243 1.00 0.00 C ATOM 585 O ARG A 383 6.550 -69.905 -40.647 1.00 0.00 O ATOM 586 CB ARG A 383 5.997 -70.190 -43.633 1.00 0.00 C ATOM 587 CG ARG A 383 5.999 -68.779 -44.189 1.00 0.00 C ATOM 588 CD ARG A 383 7.036 -68.627 -45.285 1.00 0.00 C ATOM 589 NE ARG A 383 7.050 -67.275 -45.846 1.00 0.00 N ATOM 590 CZ ARG A 383 8.079 -66.737 -46.511 1.00 0.00 C ATOM 591 NH1 ARG A 383 9.213 -67.418 -46.665 1.00 0.00 N1+ ATOM 592 NH2 ARG A 383 7.976 -65.509 -47.003 1.00 0.00 N ATOM 0 H ARG A 383 3.613 -69.351 -43.565 1.00 0.00 H new ATOM 0 HA ARG A 383 5.059 -71.459 -42.205 1.00 0.00 H new ATOM 0 HB2 ARG A 383 7.009 -70.447 -43.321 1.00 0.00 H new ATOM 0 HB3 ARG A 383 5.724 -70.882 -44.430 1.00 0.00 H new ATOM 0 HG2 ARG A 383 5.011 -68.538 -44.582 1.00 0.00 H new ATOM 0 HG3 ARG A 383 6.205 -68.069 -43.388 1.00 0.00 H new ATOM 0 HD2 ARG A 383 8.022 -68.864 -44.886 1.00 0.00 H new ATOM 0 HD3 ARG A 383 6.832 -69.346 -46.078 1.00 0.00 H new ATOM 0 HE ARG A 383 6.216 -66.702 -45.721 1.00 0.00 H new ATOM 0 HH11 ARG A 383 9.301 -68.356 -46.275 1.00 0.00 H new ATOM 0 HH12 ARG A 383 9.993 -67.001 -47.173 1.00 0.00 H new ATOM 0 HH21 ARG A 383 7.115 -64.978 -46.874 1.00 0.00 H new ATOM 0 HH22 ARG A 383 8.758 -65.096 -47.510 1.00 0.00 H new ATOM 606 N ASN A 384 4.743 -68.596 -40.893 1.00 0.00 N ATOM 607 CA ASN A 384 5.048 -67.750 -39.775 1.00 0.00 C ATOM 608 C ASN A 384 4.128 -68.075 -38.617 1.00 0.00 C ATOM 609 O ASN A 384 4.536 -68.066 -37.455 1.00 0.00 O ATOM 610 CB ASN A 384 4.867 -66.288 -40.165 1.00 0.00 C ATOM 611 CG ASN A 384 5.544 -65.932 -41.474 1.00 0.00 C ATOM 612 OD1 ASN A 384 6.721 -65.584 -41.507 1.00 0.00 O ATOM 613 ND2 ASN A 384 4.791 -65.991 -42.563 1.00 0.00 N ATOM 0 H ASN A 384 3.885 -68.345 -41.384 1.00 0.00 H new ATOM 0 HA ASN A 384 6.082 -67.921 -39.477 1.00 0.00 H new ATOM 0 HB2 ASN A 384 3.802 -66.068 -40.242 1.00 0.00 H new ATOM 0 HB3 ASN A 384 5.266 -65.655 -39.373 1.00 0.00 H new ATOM 0 HD21 ASN A 384 5.186 -65.742 -43.470 1.00 0.00 H new ATOM 0 HD22 ASN A 384 3.817 -66.285 -42.494 1.00 0.00 H new ATOM 620 N CYS A 385 2.874 -68.366 -38.949 1.00 0.00 N ATOM 621 CA CYS A 385 1.852 -68.632 -37.952 1.00 0.00 C ATOM 622 C CYS A 385 0.936 -69.775 -38.399 1.00 0.00 C ATOM 623 O CYS A 385 1.300 -70.569 -39.242 1.00 0.00 O ATOM 624 CB CYS A 385 1.042 -67.362 -37.712 1.00 0.00 C ATOM 625 SG CYS A 385 0.203 -66.713 -39.181 1.00 0.00 S ATOM 0 H CYS A 385 2.543 -68.423 -39.912 1.00 0.00 H new ATOM 0 HA CYS A 385 2.333 -68.937 -37.023 1.00 0.00 H new ATOM 0 HB2 CYS A 385 0.296 -67.562 -36.943 1.00 0.00 H new ATOM 0 HB3 CYS A 385 1.706 -66.592 -37.319 1.00 0.00 H new ATOM 0 HG CYS A 385 0.986 -66.824 -40.213 1.00 0.00 H new ATOM 630 N LEU A 386 -0.246 -69.845 -37.829 1.00 0.00 N ATOM 631 CA LEU A 386 -1.204 -70.903 -38.163 1.00 0.00 C ATOM 632 C LEU A 386 -2.470 -70.353 -38.799 1.00 0.00 C ATOM 633 O LEU A 386 -3.504 -71.012 -38.796 1.00 0.00 O ATOM 634 CB LEU A 386 -1.556 -71.722 -36.916 1.00 0.00 C ATOM 635 CG LEU A 386 -0.743 -72.988 -36.670 1.00 0.00 C ATOM 636 CD1 LEU A 386 -1.049 -74.008 -37.745 1.00 0.00 C ATOM 637 CD2 LEU A 386 0.750 -72.688 -36.617 1.00 0.00 C ATOM 0 H LEU A 386 -0.578 -69.184 -37.127 1.00 0.00 H new ATOM 0 HA LEU A 386 -0.722 -71.550 -38.896 1.00 0.00 H new ATOM 0 HB2 LEU A 386 -1.450 -71.076 -36.045 1.00 0.00 H new ATOM 0 HB3 LEU A 386 -2.608 -72.001 -36.979 1.00 0.00 H new ATOM 0 HG LEU A 386 -1.026 -73.397 -35.700 1.00 0.00 H new ATOM 0 HD11 LEU A 386 -0.466 -74.911 -37.566 1.00 0.00 H new ATOM 0 HD12 LEU A 386 -2.111 -74.251 -37.724 1.00 0.00 H new ATOM 0 HD13 LEU A 386 -0.790 -73.597 -38.721 1.00 0.00 H new ATOM 0 HD21 LEU A 386 1.301 -73.612 -36.440 1.00 0.00 H new ATOM 0 HD22 LEU A 386 1.067 -72.252 -37.564 1.00 0.00 H new ATOM 0 HD23 LEU A 386 0.951 -71.985 -35.809 1.00 0.00 H new ATOM 649 N GLN A 387 -2.378 -69.180 -39.394 1.00 0.00 N ATOM 650 CA GLN A 387 -3.556 -68.537 -39.977 1.00 0.00 C ATOM 651 C GLN A 387 -3.884 -69.047 -41.399 1.00 0.00 C ATOM 652 O GLN A 387 -4.466 -68.323 -42.205 1.00 0.00 O ATOM 653 CB GLN A 387 -3.390 -67.020 -39.960 1.00 0.00 C ATOM 654 CG GLN A 387 -3.143 -66.457 -38.567 1.00 0.00 C ATOM 655 CD GLN A 387 -4.197 -66.886 -37.564 1.00 0.00 C ATOM 656 OE1 GLN A 387 -5.362 -67.084 -37.911 1.00 0.00 O ATOM 657 NE2 GLN A 387 -3.791 -67.060 -36.321 1.00 0.00 N ATOM 0 H GLN A 387 -1.511 -68.651 -39.490 1.00 0.00 H new ATOM 0 HA GLN A 387 -4.409 -68.810 -39.356 1.00 0.00 H new ATOM 0 HB2 GLN A 387 -2.558 -66.745 -40.608 1.00 0.00 H new ATOM 0 HB3 GLN A 387 -4.285 -66.559 -40.377 1.00 0.00 H new ATOM 0 HG2 GLN A 387 -2.163 -66.781 -38.218 1.00 0.00 H new ATOM 0 HG3 GLN A 387 -3.119 -65.369 -38.619 1.00 0.00 H new ATOM 0 HE21 GLN A 387 -2.817 -66.885 -36.073 1.00 0.00 H new ATOM 0 HE22 GLN A 387 -4.451 -67.369 -35.607 1.00 0.00 H new ATOM 666 N GLY A 388 -3.510 -70.297 -41.688 1.00 0.00 N ATOM 667 CA GLY A 388 -3.858 -70.925 -42.970 1.00 0.00 C ATOM 668 C GLY A 388 -3.132 -70.334 -44.166 1.00 0.00 C ATOM 669 O GLY A 388 -3.622 -70.423 -45.296 1.00 0.00 O ATOM 0 H GLY A 388 -2.971 -70.891 -41.059 1.00 0.00 H new ATOM 0 HA2 GLY A 388 -3.635 -71.990 -42.913 1.00 0.00 H new ATOM 0 HA3 GLY A 388 -4.932 -70.832 -43.128 1.00 0.00 H new ATOM 673 N TYR A 389 -1.960 -69.753 -43.914 1.00 0.00 N ATOM 674 CA TYR A 389 -1.133 -69.117 -44.949 1.00 0.00 C ATOM 675 C TYR A 389 -1.856 -67.927 -45.568 1.00 0.00 C ATOM 676 O TYR A 389 -2.779 -68.082 -46.365 1.00 0.00 O ATOM 677 CB TYR A 389 -0.706 -70.119 -46.036 1.00 0.00 C ATOM 678 CG TYR A 389 0.538 -69.696 -46.788 1.00 0.00 C ATOM 679 CD1 TYR A 389 1.797 -69.983 -46.281 1.00 0.00 C ATOM 680 CD2 TYR A 389 0.457 -69.002 -47.988 1.00 0.00 C ATOM 681 CE1 TYR A 389 2.942 -69.591 -46.943 1.00 0.00 C ATOM 682 CE2 TYR A 389 1.600 -68.610 -48.661 1.00 0.00 C ATOM 683 CZ TYR A 389 2.841 -68.907 -48.130 1.00 0.00 C ATOM 684 OH TYR A 389 3.984 -68.509 -48.787 1.00 0.00 O ATOM 0 H TYR A 389 -1.551 -69.708 -42.981 1.00 0.00 H new ATOM 0 HA TYR A 389 -0.227 -68.756 -44.462 1.00 0.00 H new ATOM 0 HB2 TYR A 389 -0.530 -71.091 -45.575 1.00 0.00 H new ATOM 0 HB3 TYR A 389 -1.524 -70.246 -46.745 1.00 0.00 H new ATOM 0 HD1 TYR A 389 1.882 -70.524 -45.350 1.00 0.00 H new ATOM 0 HD2 TYR A 389 -0.512 -68.765 -48.402 1.00 0.00 H new ATOM 0 HE1 TYR A 389 3.913 -69.821 -46.530 1.00 0.00 H new ATOM 0 HE2 TYR A 389 1.523 -68.075 -49.596 1.00 0.00 H new ATOM 0 HH TYR A 389 3.740 -68.038 -49.611 1.00 0.00 H new ATOM 694 N HIS A 390 -1.428 -66.746 -45.195 1.00 0.00 N ATOM 695 CA HIS A 390 -2.055 -65.525 -45.661 1.00 0.00 C ATOM 696 C HIS A 390 -1.000 -64.530 -46.139 1.00 0.00 C ATOM 697 O HIS A 390 -0.834 -64.322 -47.338 1.00 0.00 O ATOM 698 CB HIS A 390 -2.953 -64.915 -44.548 1.00 0.00 C ATOM 699 CG HIS A 390 -2.267 -64.735 -43.215 1.00 0.00 C ATOM 700 ND1 HIS A 390 -2.221 -63.544 -42.529 1.00 0.00 N ATOM 701 CD2 HIS A 390 -1.579 -65.626 -42.460 1.00 0.00 C ATOM 702 CE1 HIS A 390 -1.518 -63.739 -41.408 1.00 0.00 C ATOM 703 NE2 HIS A 390 -1.104 -64.991 -41.321 1.00 0.00 N ATOM 0 H HIS A 390 -0.640 -66.600 -44.564 1.00 0.00 H new ATOM 0 HA HIS A 390 -2.695 -65.762 -46.511 1.00 0.00 H new ATOM 0 HB2 HIS A 390 -3.321 -63.946 -44.886 1.00 0.00 H new ATOM 0 HB3 HIS A 390 -3.824 -65.556 -44.410 1.00 0.00 H new ATOM 0 HD2 HIS A 390 -1.425 -66.666 -42.706 1.00 0.00 H new ATOM 0 HE1 HIS A 390 -1.316 -62.975 -40.672 1.00 0.00 H new ATOM 0 HE2 HIS A 390 -0.550 -65.405 -40.572 1.00 0.00 H new ATOM 711 N ILE A 391 -0.283 -63.946 -45.203 1.00 0.00 N ATOM 712 CA ILE A 391 0.770 -63.005 -45.506 1.00 0.00 C ATOM 713 C ILE A 391 2.079 -63.762 -45.702 1.00 0.00 C ATOM 714 O ILE A 391 2.276 -64.827 -45.106 1.00 0.00 O ATOM 715 CB ILE A 391 0.930 -61.971 -44.349 1.00 0.00 C ATOM 716 CG1 ILE A 391 -0.390 -61.229 -44.094 1.00 0.00 C ATOM 717 CG2 ILE A 391 2.045 -60.979 -44.643 1.00 0.00 C ATOM 718 CD1 ILE A 391 -0.890 -60.430 -45.281 1.00 0.00 C ATOM 0 H ILE A 391 -0.416 -64.113 -44.206 1.00 0.00 H new ATOM 0 HA ILE A 391 0.513 -62.467 -46.418 1.00 0.00 H new ATOM 0 HB ILE A 391 1.198 -62.524 -43.449 1.00 0.00 H new ATOM 0 HG12 ILE A 391 -1.153 -61.954 -43.810 1.00 0.00 H new ATOM 0 HG13 ILE A 391 -0.258 -60.556 -43.246 1.00 0.00 H new ATOM 0 HG21 ILE A 391 2.130 -60.272 -43.817 1.00 0.00 H new ATOM 0 HG22 ILE A 391 2.987 -61.515 -44.761 1.00 0.00 H new ATOM 0 HG23 ILE A 391 1.818 -60.438 -45.562 1.00 0.00 H new ATOM 0 HD11 ILE A 391 -1.826 -59.937 -45.019 1.00 0.00 H new ATOM 0 HD12 ILE A 391 -0.148 -59.679 -45.553 1.00 0.00 H new ATOM 0 HD13 ILE A 391 -1.056 -61.099 -46.126 1.00 0.00 H new ATOM 730 N GLY A 392 2.955 -63.230 -46.551 1.00 0.00 N ATOM 731 CA GLY A 392 4.236 -63.859 -46.789 1.00 0.00 C ATOM 732 C GLY A 392 5.032 -64.015 -45.511 1.00 0.00 C ATOM 733 O GLY A 392 5.466 -65.119 -45.172 1.00 0.00 O ATOM 0 H GLY A 392 2.796 -62.371 -47.078 1.00 0.00 H new ATOM 0 HA2 GLY A 392 4.081 -64.838 -47.243 1.00 0.00 H new ATOM 0 HA3 GLY A 392 4.806 -63.264 -47.502 1.00 0.00 H new ATOM 737 N GLU A 393 5.222 -62.914 -44.803 1.00 0.00 N ATOM 738 CA GLU A 393 5.929 -62.931 -43.536 1.00 0.00 C ATOM 739 C GLU A 393 5.138 -62.195 -42.472 1.00 0.00 C ATOM 740 O GLU A 393 4.806 -61.019 -42.631 1.00 0.00 O ATOM 741 CB GLU A 393 7.321 -62.324 -43.675 1.00 0.00 C ATOM 742 CG GLU A 393 8.241 -63.125 -44.567 1.00 0.00 C ATOM 743 CD GLU A 393 9.644 -62.578 -44.595 1.00 0.00 C ATOM 744 OE1 GLU A 393 9.901 -61.617 -45.346 1.00 0.00 O1- ATOM 745 OE2 GLU A 393 10.503 -63.111 -43.873 1.00 0.00 O ATOM 0 H GLU A 393 4.893 -61.991 -45.088 1.00 0.00 H new ATOM 0 HA GLU A 393 6.041 -63.971 -43.231 1.00 0.00 H new ATOM 0 HB2 GLU A 393 7.230 -61.314 -44.074 1.00 0.00 H new ATOM 0 HB3 GLU A 393 7.771 -62.237 -42.686 1.00 0.00 H new ATOM 0 HG2 GLU A 393 8.265 -64.159 -44.222 1.00 0.00 H new ATOM 0 HG3 GLU A 393 7.839 -63.136 -45.580 1.00 0.00 H new ATOM 752 N CYS A 394 4.833 -62.891 -41.401 1.00 0.00 N ATOM 753 CA CYS A 394 4.083 -62.321 -40.297 1.00 0.00 C ATOM 754 C CYS A 394 5.015 -62.017 -39.135 1.00 0.00 C ATOM 755 O CYS A 394 6.231 -62.192 -39.242 1.00 0.00 O ATOM 756 CB CYS A 394 2.974 -63.289 -39.855 1.00 0.00 C ATOM 757 SG CYS A 394 1.828 -63.751 -41.194 1.00 0.00 S ATOM 0 H CYS A 394 5.096 -63.867 -41.267 1.00 0.00 H new ATOM 0 HA CYS A 394 3.621 -61.390 -40.626 1.00 0.00 H new ATOM 0 HB2 CYS A 394 3.432 -64.193 -39.453 1.00 0.00 H new ATOM 0 HB3 CYS A 394 2.406 -62.831 -39.045 1.00 0.00 H new ATOM 0 HG CYS A 394 1.959 -65.017 -41.460 1.00 0.00 H new ATOM 1275 N VAL A 431 -57.436 -27.202 -43.804 1.00 0.00 N ATOM 1276 CA VAL A 431 -57.508 -27.509 -42.386 1.00 0.00 C ATOM 1277 C VAL A 431 -58.906 -27.984 -42.016 1.00 0.00 C ATOM 1278 O VAL A 431 -59.870 -27.733 -42.746 1.00 0.00 O ATOM 1279 CB VAL A 431 -57.138 -26.284 -41.515 1.00 0.00 C ATOM 1280 CG1 VAL A 431 -55.651 -26.000 -41.598 1.00 0.00 C ATOM 1281 CG2 VAL A 431 -57.936 -25.058 -41.941 1.00 0.00 C ATOM 0 HA VAL A 431 -56.785 -28.301 -42.191 1.00 0.00 H new ATOM 0 HB VAL A 431 -57.390 -26.515 -40.480 1.00 0.00 H new ATOM 0 HG11 VAL A 431 -55.411 -25.136 -40.979 1.00 0.00 H new ATOM 0 HG12 VAL A 431 -55.095 -26.867 -41.242 1.00 0.00 H new ATOM 0 HG13 VAL A 431 -55.377 -25.793 -42.633 1.00 0.00 H new ATOM 0 HG21 VAL A 431 -57.660 -24.209 -41.316 1.00 0.00 H new ATOM 0 HG22 VAL A 431 -57.718 -24.827 -42.984 1.00 0.00 H new ATOM 0 HG23 VAL A 431 -59.001 -25.260 -41.829 1.00 0.00 H new ATOM 1291 N SER A 432 -59.018 -28.667 -40.895 1.00 0.00 N ATOM 1292 CA SER A 432 -60.297 -29.174 -40.440 1.00 0.00 C ATOM 1293 C SER A 432 -61.176 -28.036 -39.935 1.00 0.00 C ATOM 1294 O SER A 432 -62.404 -28.104 -40.011 1.00 0.00 O ATOM 1295 CB SER A 432 -60.091 -30.217 -39.350 1.00 0.00 C ATOM 1296 OG SER A 432 -59.209 -31.240 -39.794 1.00 0.00 O ATOM 0 H SER A 432 -58.234 -28.885 -40.279 1.00 0.00 H new ATOM 0 HA SER A 432 -60.803 -29.646 -41.282 1.00 0.00 H new ATOM 0 HB2 SER A 432 -59.685 -29.742 -38.457 1.00 0.00 H new ATOM 0 HB3 SER A 432 -61.050 -30.653 -39.071 1.00 0.00 H new ATOM 0 HG SER A 432 -59.087 -31.900 -39.080 1.00 0.00 H new ATOM 1302 N THR A 433 -60.543 -26.986 -39.438 1.00 0.00 N ATOM 1303 CA THR A 433 -61.257 -25.828 -38.964 1.00 0.00 C ATOM 1304 C THR A 433 -61.691 -24.965 -40.134 1.00 0.00 C ATOM 1305 O THR A 433 -60.858 -24.420 -40.856 1.00 0.00 O ATOM 1306 CB THR A 433 -60.372 -24.987 -38.035 1.00 0.00 C ATOM 1307 OG1 THR A 433 -59.066 -24.844 -38.608 1.00 0.00 O ATOM 1308 CG2 THR A 433 -60.267 -25.617 -36.663 1.00 0.00 C ATOM 0 H THR A 433 -59.529 -26.919 -39.355 1.00 0.00 H new ATOM 0 HA THR A 433 -62.131 -26.176 -38.414 1.00 0.00 H new ATOM 0 HB THR A 433 -60.831 -24.005 -37.923 1.00 0.00 H new ATOM 0 HG1 THR A 433 -59.147 -24.527 -39.532 1.00 0.00 H new ATOM 0 HG21 THR A 433 -59.634 -24.999 -36.026 1.00 0.00 H new ATOM 0 HG22 THR A 433 -61.260 -25.694 -36.221 1.00 0.00 H new ATOM 0 HG23 THR A 433 -59.831 -26.612 -36.752 1.00 0.00 H new ATOM 1316 N LYS A 434 -62.983 -24.846 -40.325 1.00 0.00 N ATOM 1317 CA LYS A 434 -63.507 -24.031 -41.398 1.00 0.00 C ATOM 1318 C LYS A 434 -63.777 -22.625 -40.906 1.00 0.00 C ATOM 1319 O LYS A 434 -64.160 -22.431 -39.751 1.00 0.00 O ATOM 1320 CB LYS A 434 -64.776 -24.654 -42.002 1.00 0.00 C ATOM 1321 CG LYS A 434 -64.505 -25.608 -43.166 1.00 0.00 C ATOM 1322 CD LYS A 434 -63.574 -26.742 -42.766 1.00 0.00 C ATOM 1323 CE LYS A 434 -63.194 -27.599 -43.960 1.00 0.00 C ATOM 1324 NZ LYS A 434 -62.246 -28.671 -43.581 1.00 0.00 N1+ ATOM 0 H LYS A 434 -63.692 -25.303 -39.752 1.00 0.00 H new ATOM 0 HA LYS A 434 -62.756 -23.984 -42.187 1.00 0.00 H new ATOM 0 HB2 LYS A 434 -65.311 -25.193 -41.220 1.00 0.00 H new ATOM 0 HB3 LYS A 434 -65.433 -23.855 -42.346 1.00 0.00 H new ATOM 0 HG2 LYS A 434 -65.448 -26.022 -43.523 1.00 0.00 H new ATOM 0 HG3 LYS A 434 -64.066 -25.053 -43.995 1.00 0.00 H new ATOM 0 HD2 LYS A 434 -62.673 -26.331 -42.311 1.00 0.00 H new ATOM 0 HD3 LYS A 434 -64.058 -27.362 -42.011 1.00 0.00 H new ATOM 0 HE2 LYS A 434 -64.092 -28.042 -44.391 1.00 0.00 H new ATOM 0 HE3 LYS A 434 -62.746 -26.972 -44.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 -62.178 -29.363 -44.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 -61.308 -28.258 -43.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 -62.585 -29.146 -42.720 1.00 0.00 H new ATOM 1338 N PRO A 435 -63.541 -21.623 -41.762 1.00 0.00 N ATOM 1339 CA PRO A 435 -63.775 -20.228 -41.416 1.00 0.00 C ATOM 1340 C PRO A 435 -65.258 -19.923 -41.263 1.00 0.00 C ATOM 1341 O PRO A 435 -66.060 -20.231 -42.149 1.00 0.00 O ATOM 1342 CB PRO A 435 -63.187 -19.453 -42.602 1.00 0.00 C ATOM 1343 CG PRO A 435 -63.222 -20.415 -43.739 1.00 0.00 C ATOM 1344 CD PRO A 435 -63.020 -21.775 -43.136 1.00 0.00 C ATOM 0 HA PRO A 435 -63.323 -19.963 -40.460 1.00 0.00 H new ATOM 0 HB2 PRO A 435 -63.773 -18.560 -42.821 1.00 0.00 H new ATOM 0 HB3 PRO A 435 -62.169 -19.123 -42.394 1.00 0.00 H new ATOM 0 HG2 PRO A 435 -64.174 -20.360 -44.268 1.00 0.00 H new ATOM 0 HG3 PRO A 435 -62.441 -20.190 -44.465 1.00 0.00 H new ATOM 0 HD2 PRO A 435 -63.561 -22.543 -43.688 1.00 0.00 H new ATOM 0 HD3 PRO A 435 -61.969 -22.063 -43.137 1.00 0.00 H new ATOM 1352 N CYS A 436 -65.613 -19.342 -40.130 1.00 0.00 N ATOM 1353 CA CYS A 436 -66.983 -18.957 -39.849 1.00 0.00 C ATOM 1354 C CYS A 436 -67.514 -18.013 -40.920 1.00 0.00 C ATOM 1355 O CYS A 436 -66.802 -17.122 -41.382 1.00 0.00 O ATOM 1356 CB CYS A 436 -67.064 -18.288 -38.475 1.00 0.00 C ATOM 1357 SG CYS A 436 -68.693 -17.565 -38.073 1.00 0.00 S ATOM 0 H CYS A 436 -64.958 -19.124 -39.379 1.00 0.00 H new ATOM 0 HA CYS A 436 -67.600 -19.856 -39.850 1.00 0.00 H new ATOM 0 HB2 CYS A 436 -66.810 -19.024 -37.712 1.00 0.00 H new ATOM 0 HB3 CYS A 436 -66.310 -17.502 -38.423 1.00 0.00 H new ATOM 0 HG CYS A 436 -68.575 -16.773 -37.049 1.00 0.00 H new ATOM 1362 N PRO A 437 -68.764 -18.193 -41.331 1.00 0.00 N ATOM 1363 CA PRO A 437 -69.384 -17.329 -42.321 1.00 0.00 C ATOM 1364 C PRO A 437 -69.593 -15.904 -41.792 1.00 0.00 C ATOM 1365 O PRO A 437 -69.827 -14.979 -42.567 1.00 0.00 O ATOM 1366 CB PRO A 437 -70.734 -18.003 -42.603 1.00 0.00 C ATOM 1367 CG PRO A 437 -71.006 -18.837 -41.401 1.00 0.00 C ATOM 1368 CD PRO A 437 -69.669 -19.265 -40.875 1.00 0.00 C ATOM 0 HA PRO A 437 -68.763 -17.218 -43.210 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -71.520 -17.264 -42.757 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -70.690 -18.613 -43.505 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -71.556 -18.269 -40.650 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -71.618 -19.702 -41.658 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -69.674 -19.352 -39.788 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -69.373 -20.236 -41.271 1.00 0.00 H new ATOM 1376 N LYS A 438 -69.503 -15.730 -40.471 1.00 0.00 N ATOM 1377 CA LYS A 438 -69.698 -14.427 -39.866 1.00 0.00 C ATOM 1378 C LYS A 438 -68.363 -13.778 -39.459 1.00 0.00 C ATOM 1379 O LYS A 438 -68.022 -12.704 -39.945 1.00 0.00 O ATOM 1380 CB LYS A 438 -70.622 -14.541 -38.657 1.00 0.00 C ATOM 1381 CG LYS A 438 -71.098 -13.205 -38.111 1.00 0.00 C ATOM 1382 CD LYS A 438 -71.937 -13.403 -36.862 1.00 0.00 C ATOM 1383 CE LYS A 438 -72.472 -12.084 -36.316 1.00 0.00 C ATOM 1384 NZ LYS A 438 -71.383 -11.161 -35.908 1.00 0.00 N1+ ATOM 0 H LYS A 438 -69.297 -16.478 -39.809 1.00 0.00 H new ATOM 0 HA LYS A 438 -70.161 -13.782 -40.613 1.00 0.00 H new ATOM 0 HB2 LYS A 438 -71.491 -15.139 -38.932 1.00 0.00 H new ATOM 0 HB3 LYS A 438 -70.102 -15.080 -37.865 1.00 0.00 H new ATOM 0 HG2 LYS A 438 -70.239 -12.574 -37.882 1.00 0.00 H new ATOM 0 HG3 LYS A 438 -71.683 -12.685 -38.869 1.00 0.00 H new ATOM 0 HD2 LYS A 438 -72.772 -14.067 -37.088 1.00 0.00 H new ATOM 0 HD3 LYS A 438 -71.337 -13.895 -36.097 1.00 0.00 H new ATOM 0 HE2 LYS A 438 -73.088 -11.602 -37.075 1.00 0.00 H new ATOM 0 HE3 LYS A 438 -73.117 -12.282 -35.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 -71.435 -10.995 -34.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 -70.463 -11.584 -36.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 -71.488 -10.257 -36.411 1.00 0.00 H new ATOM 1398 N CYS A 439 -67.606 -14.433 -38.570 1.00 0.00 N ATOM 1399 CA CYS A 439 -66.341 -13.857 -38.088 1.00 0.00 C ATOM 1400 C CYS A 439 -65.121 -14.440 -38.796 1.00 0.00 C ATOM 1401 O CYS A 439 -64.001 -13.960 -38.605 1.00 0.00 O ATOM 1402 CB CYS A 439 -66.205 -14.018 -36.572 1.00 0.00 C ATOM 1403 SG CYS A 439 -66.491 -15.696 -35.965 1.00 0.00 S ATOM 0 H CYS A 439 -67.839 -15.344 -38.175 1.00 0.00 H new ATOM 0 HA CYS A 439 -66.375 -12.794 -38.329 1.00 0.00 H new ATOM 0 HB2 CYS A 439 -65.204 -13.704 -36.275 1.00 0.00 H new ATOM 0 HB3 CYS A 439 -66.909 -13.344 -36.084 1.00 0.00 H new ATOM 0 HG CYS A 439 -67.729 -15.816 -35.587 1.00 0.00 H new ATOM 1408 N ARG A 440 -65.340 -15.472 -39.601 1.00 0.00 N ATOM 1409 CA ARG A 440 -64.266 -16.118 -40.378 1.00 0.00 C ATOM 1410 C ARG A 440 -63.213 -16.756 -39.484 1.00 0.00 C ATOM 1411 O ARG A 440 -62.069 -16.953 -39.895 1.00 0.00 O ATOM 1412 CB ARG A 440 -63.608 -15.134 -41.362 1.00 0.00 C ATOM 1413 CG ARG A 440 -64.449 -14.828 -42.599 1.00 0.00 C ATOM 1414 CD ARG A 440 -65.675 -13.993 -42.266 1.00 0.00 C ATOM 1415 NE ARG A 440 -66.590 -13.894 -43.399 1.00 0.00 N ATOM 1416 CZ ARG A 440 -66.838 -12.772 -44.076 1.00 0.00 C ATOM 1417 NH1 ARG A 440 -66.211 -11.638 -43.764 1.00 0.00 N1+ ATOM 1418 NH2 ARG A 440 -67.711 -12.786 -45.072 1.00 0.00 N ATOM 0 H ARG A 440 -66.260 -15.890 -39.740 1.00 0.00 H new ATOM 0 HA ARG A 440 -64.739 -16.914 -40.953 1.00 0.00 H new ATOM 0 HB2 ARG A 440 -63.398 -14.201 -40.839 1.00 0.00 H new ATOM 0 HB3 ARG A 440 -62.649 -15.543 -41.681 1.00 0.00 H new ATOM 0 HG2 ARG A 440 -63.838 -14.298 -43.330 1.00 0.00 H new ATOM 0 HG3 ARG A 440 -64.763 -15.763 -43.063 1.00 0.00 H new ATOM 0 HD2 ARG A 440 -66.196 -14.435 -41.416 1.00 0.00 H new ATOM 0 HD3 ARG A 440 -65.362 -12.994 -41.963 1.00 0.00 H new ATOM 0 HE ARG A 440 -67.074 -14.742 -43.694 1.00 0.00 H new ATOM 0 HH11 ARG A 440 -65.534 -11.623 -43.001 1.00 0.00 H new ATOM 0 HH12 ARG A 440 -66.408 -10.785 -44.288 1.00 0.00 H new ATOM 0 HH21 ARG A 440 -68.190 -13.652 -45.318 1.00 0.00 H new ATOM 0 HH22 ARG A 440 -67.904 -11.931 -45.593 1.00 0.00 H new ATOM 1432 N THR A 441 -63.602 -17.099 -38.281 1.00 0.00 N ATOM 1433 CA THR A 441 -62.706 -17.739 -37.354 1.00 0.00 C ATOM 1434 C THR A 441 -62.655 -19.242 -37.634 1.00 0.00 C ATOM 1435 O THR A 441 -63.564 -19.783 -38.257 1.00 0.00 O ATOM 1436 CB THR A 441 -63.160 -17.490 -35.906 1.00 0.00 C ATOM 1437 OG1 THR A 441 -64.536 -17.851 -35.765 1.00 0.00 O ATOM 1438 CG2 THR A 441 -62.974 -16.027 -35.534 1.00 0.00 C ATOM 0 H THR A 441 -64.543 -16.943 -37.920 1.00 0.00 H new ATOM 0 HA THR A 441 -61.710 -17.316 -37.483 1.00 0.00 H new ATOM 0 HB THR A 441 -62.552 -18.101 -35.238 1.00 0.00 H new ATOM 0 HG1 THR A 441 -65.099 -17.065 -35.928 1.00 0.00 H new ATOM 0 HG21 THR A 441 -63.300 -15.869 -34.506 1.00 0.00 H new ATOM 0 HG22 THR A 441 -61.921 -15.759 -35.626 1.00 0.00 H new ATOM 0 HG23 THR A 441 -63.567 -15.403 -36.203 1.00 0.00 H new ATOM 1446 N PRO A 442 -61.587 -19.933 -37.217 1.00 0.00 N ATOM 1447 CA PRO A 442 -61.466 -21.365 -37.422 1.00 0.00 C ATOM 1448 C PRO A 442 -62.329 -22.139 -36.432 1.00 0.00 C ATOM 1449 O PRO A 442 -61.985 -22.258 -35.248 1.00 0.00 O ATOM 1450 CB PRO A 442 -59.970 -21.657 -37.190 1.00 0.00 C ATOM 1451 CG PRO A 442 -59.329 -20.332 -36.887 1.00 0.00 C ATOM 1452 CD PRO A 442 -60.432 -19.386 -36.513 1.00 0.00 C ATOM 0 HA PRO A 442 -61.804 -21.670 -38.413 1.00 0.00 H new ATOM 0 HB2 PRO A 442 -59.833 -22.354 -36.364 1.00 0.00 H new ATOM 0 HB3 PRO A 442 -59.521 -22.115 -38.071 1.00 0.00 H new ATOM 0 HG2 PRO A 442 -58.611 -20.428 -36.073 1.00 0.00 H new ATOM 0 HG3 PRO A 442 -58.781 -19.962 -37.753 1.00 0.00 H new ATOM 0 HD2 PRO A 442 -60.592 -19.359 -35.435 1.00 0.00 H new ATOM 0 HD3 PRO A 442 -60.213 -18.366 -36.829 1.00 0.00 H new ATOM 1460 N THR A 443 -63.451 -22.647 -36.912 1.00 0.00 N ATOM 1461 CA THR A 443 -64.372 -23.380 -36.072 1.00 0.00 C ATOM 1462 C THR A 443 -63.856 -24.795 -35.817 1.00 0.00 C ATOM 1463 O THR A 443 -63.775 -25.615 -36.735 1.00 0.00 O ATOM 1464 CB THR A 443 -65.771 -23.458 -36.726 1.00 0.00 C ATOM 1465 OG1 THR A 443 -66.211 -22.145 -37.102 1.00 0.00 O ATOM 1466 CG2 THR A 443 -66.788 -24.074 -35.768 1.00 0.00 C ATOM 0 H THR A 443 -63.744 -22.563 -37.885 1.00 0.00 H new ATOM 0 HA THR A 443 -64.451 -22.848 -35.124 1.00 0.00 H new ATOM 0 HB THR A 443 -65.695 -24.089 -37.611 1.00 0.00 H new ATOM 0 HG1 THR A 443 -67.097 -22.203 -37.517 1.00 0.00 H new ATOM 0 HG21 THR A 443 -67.764 -24.118 -36.252 1.00 0.00 H new ATOM 0 HG22 THR A 443 -66.471 -25.082 -35.499 1.00 0.00 H new ATOM 0 HG23 THR A 443 -66.856 -23.463 -34.868 1.00 0.00 H new ATOM 1474 N GLU A 444 -63.495 -25.062 -34.570 1.00 0.00 N ATOM 1475 CA GLU A 444 -63.004 -26.369 -34.174 1.00 0.00 C ATOM 1476 C GLU A 444 -64.169 -27.320 -33.968 1.00 0.00 C ATOM 1477 O GLU A 444 -64.935 -27.181 -33.011 1.00 0.00 O ATOM 1478 CB GLU A 444 -62.180 -26.261 -32.888 1.00 0.00 C ATOM 1479 CG GLU A 444 -60.965 -25.357 -33.012 1.00 0.00 C ATOM 1480 CD GLU A 444 -60.209 -25.207 -31.710 1.00 0.00 C ATOM 1481 OE1 GLU A 444 -59.339 -26.059 -31.417 1.00 0.00 O1- ATOM 1482 OE2 GLU A 444 -60.479 -24.237 -30.972 1.00 0.00 O ATOM 0 H GLU A 444 -63.535 -24.382 -33.811 1.00 0.00 H new ATOM 0 HA GLU A 444 -62.364 -26.758 -34.966 1.00 0.00 H new ATOM 0 HB2 GLU A 444 -62.819 -25.887 -32.088 1.00 0.00 H new ATOM 0 HB3 GLU A 444 -61.851 -27.258 -32.594 1.00 0.00 H new ATOM 0 HG2 GLU A 444 -60.295 -25.759 -33.771 1.00 0.00 H new ATOM 0 HG3 GLU A 444 -61.284 -24.373 -33.357 1.00 0.00 H new ATOM 1489 N ARG A 445 -64.314 -28.268 -34.869 1.00 0.00 N ATOM 1490 CA ARG A 445 -65.395 -29.223 -34.786 1.00 0.00 C ATOM 1491 C ARG A 445 -64.862 -30.615 -34.462 1.00 0.00 C ATOM 1492 O ARG A 445 -63.957 -31.123 -35.128 1.00 0.00 O ATOM 1493 CB ARG A 445 -66.240 -29.216 -36.093 1.00 0.00 C ATOM 1494 CG ARG A 445 -65.506 -29.679 -37.355 1.00 0.00 C ATOM 1495 CD ARG A 445 -65.653 -31.183 -37.572 1.00 0.00 C ATOM 1496 NE ARG A 445 -64.760 -31.680 -38.618 1.00 0.00 N ATOM 1497 CZ ARG A 445 -65.047 -32.698 -39.434 1.00 0.00 C ATOM 1498 NH1 ARG A 445 -66.234 -33.299 -39.371 1.00 0.00 N1+ ATOM 1499 NH2 ARG A 445 -64.148 -33.117 -40.314 1.00 0.00 N ATOM 0 H ARG A 445 -63.694 -28.397 -35.669 1.00 0.00 H new ATOM 0 HA ARG A 445 -66.056 -28.929 -33.970 1.00 0.00 H new ATOM 0 HB2 ARG A 445 -67.111 -29.855 -35.945 1.00 0.00 H new ATOM 0 HB3 ARG A 445 -66.611 -28.205 -36.260 1.00 0.00 H new ATOM 0 HG2 ARG A 445 -65.899 -29.146 -38.221 1.00 0.00 H new ATOM 0 HG3 ARG A 445 -64.449 -29.424 -37.276 1.00 0.00 H new ATOM 0 HD2 ARG A 445 -65.443 -31.705 -36.639 1.00 0.00 H new ATOM 0 HD3 ARG A 445 -66.685 -31.411 -37.839 1.00 0.00 H new ATOM 0 HE ARG A 445 -63.858 -31.218 -38.732 1.00 0.00 H new ATOM 0 HH11 ARG A 445 -66.931 -32.983 -38.697 1.00 0.00 H new ATOM 0 HH12 ARG A 445 -66.446 -34.076 -39.997 1.00 0.00 H new ATOM 0 HH21 ARG A 445 -63.237 -32.662 -40.368 1.00 0.00 H new ATOM 0 HH22 ARG A 445 -64.368 -33.894 -40.937 1.00 0.00 H new ATOM 1513 N ASP A 446 -65.396 -31.204 -33.418 1.00 0.00 N ATOM 1514 CA ASP A 446 -65.020 -32.546 -33.007 1.00 0.00 C ATOM 1515 C ASP A 446 -66.244 -33.276 -32.526 1.00 0.00 C ATOM 1516 O ASP A 446 -66.744 -33.019 -31.427 1.00 0.00 O ATOM 1517 CB ASP A 446 -63.939 -32.522 -31.918 1.00 0.00 C ATOM 1518 CG ASP A 446 -62.551 -32.255 -32.473 1.00 0.00 C ATOM 1519 OD1 ASP A 446 -61.871 -33.226 -32.869 1.00 0.00 O ATOM 1520 OD2 ASP A 446 -62.127 -31.079 -32.506 1.00 0.00 O1- ATOM 0 H ASP A 446 -66.104 -30.770 -32.826 1.00 0.00 H new ATOM 0 HA ASP A 446 -64.597 -33.068 -33.865 1.00 0.00 H new ATOM 0 HB2 ASP A 446 -64.186 -31.755 -31.184 1.00 0.00 H new ATOM 0 HB3 ASP A 446 -63.938 -33.477 -31.392 1.00 0.00 H new ATOM 1525 N GLY A 447 -66.743 -34.168 -33.356 1.00 0.00 N ATOM 1526 CA GLY A 447 -67.967 -34.849 -33.043 1.00 0.00 C ATOM 1527 C GLY A 447 -69.146 -33.951 -33.326 1.00 0.00 C ATOM 1528 O GLY A 447 -69.994 -33.724 -32.453 1.00 0.00 O ATOM 0 H GLY A 447 -66.318 -34.432 -34.245 1.00 0.00 H new ATOM 0 HA2 GLY A 447 -68.045 -35.762 -33.633 1.00 0.00 H new ATOM 0 HA3 GLY A 447 -67.969 -35.146 -31.994 1.00 0.00 H new ATOM 1532 N GLY A 448 -69.177 -33.416 -34.550 1.00 0.00 N ATOM 1533 CA GLY A 448 -70.227 -32.502 -34.962 1.00 0.00 C ATOM 1534 C GLY A 448 -71.611 -33.057 -34.734 1.00 0.00 C ATOM 1535 O GLY A 448 -71.934 -34.151 -35.191 1.00 0.00 O ATOM 0 H GLY A 448 -68.480 -33.606 -35.270 1.00 0.00 H new ATOM 0 HA2 GLY A 448 -70.122 -31.565 -34.415 1.00 0.00 H new ATOM 0 HA3 GLY A 448 -70.104 -32.269 -36.020 1.00 0.00 H new ATOM 1539 N CYS A 449 -72.429 -32.299 -34.035 1.00 0.00 N ATOM 1540 CA CYS A 449 -73.777 -32.717 -33.707 1.00 0.00 C ATOM 1541 C CYS A 449 -74.769 -32.189 -34.752 1.00 0.00 C ATOM 1542 O CYS A 449 -75.954 -32.022 -34.466 1.00 0.00 O ATOM 1543 CB CYS A 449 -74.140 -32.202 -32.304 1.00 0.00 C ATOM 1544 SG CYS A 449 -75.613 -32.957 -31.575 1.00 0.00 S ATOM 0 H CYS A 449 -72.179 -31.377 -33.678 1.00 0.00 H new ATOM 0 HA CYS A 449 -73.831 -33.806 -33.712 1.00 0.00 H new ATOM 0 HB2 CYS A 449 -73.294 -32.375 -31.639 1.00 0.00 H new ATOM 0 HB3 CYS A 449 -74.290 -31.124 -32.356 1.00 0.00 H new ATOM 0 HG CYS A 449 -75.822 -32.450 -30.396 1.00 0.00 H new ATOM 1550 N MET A 450 -74.257 -31.926 -35.969 1.00 0.00 N ATOM 1551 CA MET A 450 -75.056 -31.408 -37.108 1.00 0.00 C ATOM 1552 C MET A 450 -75.430 -29.931 -36.901 1.00 0.00 C ATOM 1553 O MET A 450 -75.405 -29.135 -37.834 1.00 0.00 O ATOM 1554 CB MET A 450 -76.301 -32.275 -37.353 1.00 0.00 C ATOM 1555 CG MET A 450 -77.028 -31.974 -38.649 1.00 0.00 C ATOM 1556 SD MET A 450 -78.506 -32.991 -38.860 1.00 0.00 S ATOM 1557 CE MET A 450 -77.831 -34.648 -38.762 1.00 0.00 C ATOM 0 H MET A 450 -73.273 -32.066 -36.196 1.00 0.00 H new ATOM 0 HA MET A 450 -74.435 -31.465 -38.002 1.00 0.00 H new ATOM 0 HB2 MET A 450 -76.004 -33.324 -37.352 1.00 0.00 H new ATOM 0 HB3 MET A 450 -76.993 -32.139 -36.522 1.00 0.00 H new ATOM 0 HG2 MET A 450 -77.309 -30.921 -38.669 1.00 0.00 H new ATOM 0 HG3 MET A 450 -76.353 -32.140 -39.488 1.00 0.00 H new ATOM 0 HE1 MET A 450 -78.528 -35.352 -39.216 1.00 0.00 H new ATOM 0 HE2 MET A 450 -76.880 -34.685 -39.293 1.00 0.00 H new ATOM 0 HE3 MET A 450 -77.674 -34.916 -37.717 1.00 0.00 H new ATOM 1567 N HIS A 451 -75.776 -29.583 -35.685 1.00 0.00 N ATOM 1568 CA HIS A 451 -76.040 -28.206 -35.326 1.00 0.00 C ATOM 1569 C HIS A 451 -74.708 -27.530 -34.996 1.00 0.00 C ATOM 1570 O HIS A 451 -74.120 -27.787 -33.945 1.00 0.00 O ATOM 1571 CB HIS A 451 -76.999 -28.160 -34.119 1.00 0.00 C ATOM 1572 CG HIS A 451 -77.293 -26.783 -33.590 1.00 0.00 C ATOM 1573 ND1 HIS A 451 -77.386 -26.545 -32.238 1.00 0.00 N ATOM 1574 CD2 HIS A 451 -77.533 -25.631 -34.259 1.00 0.00 C ATOM 1575 CE1 HIS A 451 -77.681 -25.261 -32.118 1.00 0.00 C ATOM 1576 NE2 HIS A 451 -77.779 -24.670 -33.310 1.00 0.00 N ATOM 0 H HIS A 451 -75.883 -30.244 -34.915 1.00 0.00 H new ATOM 0 HA HIS A 451 -76.515 -27.678 -36.152 1.00 0.00 H new ATOM 0 HB2 HIS A 451 -77.940 -28.631 -34.404 1.00 0.00 H new ATOM 0 HB3 HIS A 451 -76.574 -28.759 -33.314 1.00 0.00 H new ATOM 0 HD2 HIS A 451 -77.531 -25.495 -35.330 1.00 0.00 H new ATOM 0 HE1 HIS A 451 -77.824 -24.755 -31.175 1.00 0.00 H new ATOM 0 HE2 HIS A 451 -77.996 -23.689 -33.484 1.00 0.00 H new ATOM 1584 N MET A 452 -74.220 -26.698 -35.901 1.00 0.00 N ATOM 1585 CA MET A 452 -72.920 -26.054 -35.720 1.00 0.00 C ATOM 1586 C MET A 452 -73.078 -24.637 -35.189 1.00 0.00 C ATOM 1587 O MET A 452 -73.715 -23.800 -35.818 1.00 0.00 O ATOM 1588 CB MET A 452 -72.143 -26.034 -37.043 1.00 0.00 C ATOM 1589 CG MET A 452 -72.030 -27.396 -37.714 1.00 0.00 C ATOM 1590 SD MET A 452 -71.174 -28.620 -36.698 1.00 0.00 S ATOM 1591 CE MET A 452 -69.488 -28.040 -36.830 1.00 0.00 C ATOM 0 H MET A 452 -74.699 -26.450 -36.767 1.00 0.00 H new ATOM 0 HA MET A 452 -72.360 -26.634 -34.987 1.00 0.00 H new ATOM 0 HB2 MET A 452 -72.631 -25.342 -37.729 1.00 0.00 H new ATOM 0 HB3 MET A 452 -71.141 -25.647 -36.858 1.00 0.00 H new ATOM 0 HG2 MET A 452 -73.029 -27.763 -37.948 1.00 0.00 H new ATOM 0 HG3 MET A 452 -71.501 -27.285 -38.661 1.00 0.00 H new ATOM 0 HE1 MET A 452 -68.852 -28.849 -37.190 1.00 0.00 H new ATOM 0 HE2 MET A 452 -69.444 -27.205 -37.529 1.00 0.00 H new ATOM 0 HE3 MET A 452 -69.138 -27.712 -35.851 1.00 0.00 H new ATOM 1601 N VAL A 453 -72.500 -24.374 -34.029 1.00 0.00 N ATOM 1602 CA VAL A 453 -72.583 -23.054 -33.420 1.00 0.00 C ATOM 1603 C VAL A 453 -71.196 -22.475 -33.226 1.00 0.00 C ATOM 1604 O VAL A 453 -70.314 -23.130 -32.659 1.00 0.00 O ATOM 1605 CB VAL A 453 -73.292 -23.094 -32.046 1.00 0.00 C ATOM 1606 CG1 VAL A 453 -73.563 -21.682 -31.535 1.00 0.00 C ATOM 1607 CG2 VAL A 453 -74.577 -23.890 -32.124 1.00 0.00 C ATOM 0 H VAL A 453 -71.968 -25.056 -33.489 1.00 0.00 H new ATOM 0 HA VAL A 453 -73.165 -22.430 -34.098 1.00 0.00 H new ATOM 0 HB VAL A 453 -72.628 -23.591 -31.339 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -74.062 -21.735 -30.567 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -72.620 -21.147 -31.428 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -74.201 -21.155 -32.244 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -75.057 -23.903 -31.145 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -75.247 -23.429 -32.850 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -74.354 -24.911 -32.433 1.00 0.00 H new ATOM 1617 N CYS A 454 -70.997 -21.263 -33.698 1.00 0.00 N ATOM 1618 CA CYS A 454 -69.723 -20.602 -33.545 1.00 0.00 C ATOM 1619 C CYS A 454 -69.715 -19.752 -32.285 1.00 0.00 C ATOM 1620 O CYS A 454 -70.360 -18.694 -32.224 1.00 0.00 O ATOM 1621 CB CYS A 454 -69.419 -19.738 -34.768 1.00 0.00 C ATOM 1622 SG CYS A 454 -67.835 -18.841 -34.682 1.00 0.00 S ATOM 0 H CYS A 454 -71.703 -20.717 -34.191 1.00 0.00 H new ATOM 0 HA CYS A 454 -68.948 -21.364 -33.457 1.00 0.00 H new ATOM 0 HB2 CYS A 454 -69.415 -20.373 -35.654 1.00 0.00 H new ATOM 0 HB3 CYS A 454 -70.225 -19.016 -34.897 1.00 0.00 H new ATOM 0 HG CYS A 454 -67.757 -18.003 -35.672 1.00 0.00 H new ATOM 1627 N THR A 455 -69.014 -20.219 -31.272 1.00 0.00 N ATOM 1628 CA THR A 455 -68.918 -19.481 -30.046 1.00 0.00 C ATOM 1629 C THR A 455 -67.753 -18.503 -30.113 1.00 0.00 C ATOM 1630 O THR A 455 -66.613 -18.841 -29.785 1.00 0.00 O ATOM 1631 CB THR A 455 -68.741 -20.427 -28.843 1.00 0.00 C ATOM 1632 OG1 THR A 455 -67.681 -21.360 -29.115 1.00 0.00 O ATOM 1633 CG2 THR A 455 -70.029 -21.190 -28.566 1.00 0.00 C ATOM 0 H THR A 455 -68.507 -21.104 -31.281 1.00 0.00 H new ATOM 0 HA THR A 455 -69.846 -18.926 -29.911 1.00 0.00 H new ATOM 0 HB THR A 455 -68.492 -19.830 -27.966 1.00 0.00 H new ATOM 0 HG1 THR A 455 -66.904 -20.878 -29.467 1.00 0.00 H new ATOM 0 HG21 THR A 455 -69.883 -21.853 -27.713 1.00 0.00 H new ATOM 0 HG22 THR A 455 -70.830 -20.484 -28.345 1.00 0.00 H new ATOM 0 HG23 THR A 455 -70.298 -21.780 -29.442 1.00 0.00 H new ATOM 1641 N ARG A 456 -68.047 -17.309 -30.565 1.00 0.00 N ATOM 1642 CA ARG A 456 -67.063 -16.256 -30.678 1.00 0.00 C ATOM 1643 C ARG A 456 -67.637 -15.008 -30.037 1.00 0.00 C ATOM 1644 O ARG A 456 -68.825 -14.728 -30.206 1.00 0.00 O ATOM 1645 CB ARG A 456 -66.744 -16.015 -32.171 1.00 0.00 C ATOM 1646 CG ARG A 456 -65.397 -15.355 -32.472 1.00 0.00 C ATOM 1647 CD ARG A 456 -65.369 -13.872 -32.126 1.00 0.00 C ATOM 1648 NE ARG A 456 -66.311 -13.086 -32.937 1.00 0.00 N ATOM 1649 CZ ARG A 456 -66.122 -11.802 -33.276 1.00 0.00 C ATOM 1650 NH1 ARG A 456 -64.990 -11.190 -32.958 1.00 0.00 N1+ ATOM 1651 NH2 ARG A 456 -67.055 -11.144 -33.955 1.00 0.00 N ATOM 0 H ARG A 456 -68.982 -17.037 -30.868 1.00 0.00 H new ATOM 0 HA ARG A 456 -66.136 -16.528 -30.173 1.00 0.00 H new ATOM 0 HB2 ARG A 456 -66.780 -16.973 -32.689 1.00 0.00 H new ATOM 0 HB3 ARG A 456 -67.533 -15.394 -32.595 1.00 0.00 H new ATOM 0 HG2 ARG A 456 -64.615 -15.868 -31.912 1.00 0.00 H new ATOM 0 HG3 ARG A 456 -65.166 -15.480 -33.530 1.00 0.00 H new ATOM 0 HD2 ARG A 456 -65.609 -13.744 -31.070 1.00 0.00 H new ATOM 0 HD3 ARG A 456 -64.360 -13.487 -32.272 1.00 0.00 H new ATOM 0 HE ARG A 456 -67.161 -13.546 -33.262 1.00 0.00 H new ATOM 0 HH11 ARG A 456 -64.261 -11.695 -32.455 1.00 0.00 H new ATOM 0 HH12 ARG A 456 -64.848 -10.214 -33.217 1.00 0.00 H new ATOM 0 HH21 ARG A 456 -67.920 -11.615 -34.221 1.00 0.00 H new ATOM 0 HH22 ARG A 456 -66.907 -10.168 -34.210 1.00 0.00 H new ATOM 1665 N ALA A 457 -66.822 -14.277 -29.297 1.00 0.00 N ATOM 1666 CA ALA A 457 -67.273 -13.047 -28.659 1.00 0.00 C ATOM 1667 C ALA A 457 -67.701 -12.026 -29.706 1.00 0.00 C ATOM 1668 O ALA A 457 -66.865 -11.347 -30.300 1.00 0.00 O ATOM 1669 CB ALA A 457 -66.178 -12.475 -27.779 1.00 0.00 C ATOM 0 H ALA A 457 -65.845 -14.511 -29.122 1.00 0.00 H new ATOM 0 HA ALA A 457 -68.135 -13.280 -28.034 1.00 0.00 H new ATOM 0 HB1 ALA A 457 -66.531 -11.557 -27.310 1.00 0.00 H new ATOM 0 HB2 ALA A 457 -65.916 -13.199 -27.008 1.00 0.00 H new ATOM 0 HB3 ALA A 457 -65.299 -12.258 -28.386 1.00 0.00 H new ATOM 1675 N GLY A 458 -68.997 -11.942 -29.944 1.00 0.00 N ATOM 1676 CA GLY A 458 -69.511 -11.027 -30.939 1.00 0.00 C ATOM 1677 C GLY A 458 -70.003 -11.751 -32.181 1.00 0.00 C ATOM 1678 O GLY A 458 -70.305 -11.127 -33.203 1.00 0.00 O ATOM 0 H GLY A 458 -69.707 -12.494 -29.463 1.00 0.00 H new ATOM 0 HA2 GLY A 458 -70.328 -10.447 -30.510 1.00 0.00 H new ATOM 0 HA3 GLY A 458 -68.730 -10.319 -31.218 1.00 0.00 H new ATOM 1682 N CYS A 459 -70.071 -13.073 -32.109 1.00 0.00 N ATOM 1683 CA CYS A 459 -70.554 -13.860 -33.225 1.00 0.00 C ATOM 1684 C CYS A 459 -71.865 -14.547 -32.873 1.00 0.00 C ATOM 1685 O CYS A 459 -72.941 -13.970 -33.042 1.00 0.00 O ATOM 1686 CB CYS A 459 -69.519 -14.890 -33.665 1.00 0.00 C ATOM 1687 SG CYS A 459 -70.007 -15.865 -35.116 1.00 0.00 S ATOM 0 H CYS A 459 -69.798 -13.618 -31.291 1.00 0.00 H new ATOM 0 HA CYS A 459 -70.730 -13.179 -34.058 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -68.583 -14.376 -33.885 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -69.323 -15.569 -32.835 1.00 0.00 H new ATOM 0 HG CYS A 459 -69.333 -16.976 -35.139 1.00 0.00 H new ATOM 1692 N GLY A 460 -71.768 -15.773 -32.366 1.00 0.00 N ATOM 1693 CA GLY A 460 -72.949 -16.527 -32.006 1.00 0.00 C ATOM 1694 C GLY A 460 -73.704 -16.993 -33.227 1.00 0.00 C ATOM 1695 O GLY A 460 -74.912 -17.247 -33.169 1.00 0.00 O ATOM 0 H GLY A 460 -70.886 -16.257 -32.199 1.00 0.00 H new ATOM 0 HA2 GLY A 460 -72.662 -17.389 -31.404 1.00 0.00 H new ATOM 0 HA3 GLY A 460 -73.601 -15.910 -31.388 1.00 0.00 H new ATOM 1699 N PHE A 461 -72.997 -17.102 -34.334 1.00 0.00 N ATOM 1700 CA PHE A 461 -73.602 -17.505 -35.579 1.00 0.00 C ATOM 1701 C PHE A 461 -73.680 -19.018 -35.663 1.00 0.00 C ATOM 1702 O PHE A 461 -72.666 -19.701 -35.792 1.00 0.00 O ATOM 1703 CB PHE A 461 -72.805 -16.950 -36.763 1.00 0.00 C ATOM 1704 CG PHE A 461 -73.550 -16.963 -38.073 1.00 0.00 C ATOM 1705 CD1 PHE A 461 -73.493 -18.062 -38.911 1.00 0.00 C ATOM 1706 CD2 PHE A 461 -74.304 -15.867 -38.465 1.00 0.00 C ATOM 1707 CE1 PHE A 461 -74.171 -18.069 -40.113 1.00 0.00 C ATOM 1708 CE2 PHE A 461 -74.982 -15.870 -39.667 1.00 0.00 C ATOM 1709 CZ PHE A 461 -74.916 -16.974 -40.491 1.00 0.00 C ATOM 0 H PHE A 461 -71.996 -16.915 -34.392 1.00 0.00 H new ATOM 0 HA PHE A 461 -74.613 -17.101 -35.619 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -72.508 -15.926 -36.538 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -71.889 -17.531 -36.874 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -72.911 -18.925 -38.621 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -74.361 -15.001 -37.822 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -74.117 -18.934 -40.758 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -75.563 -15.009 -39.962 1.00 0.00 H new ATOM 0 HZ PHE A 461 -75.448 -16.980 -41.431 1.00 0.00 H new ATOM 1719 N GLU A 462 -74.880 -19.535 -35.555 1.00 0.00 N ATOM 1720 CA GLU A 462 -75.100 -20.953 -35.677 1.00 0.00 C ATOM 1721 C GLU A 462 -75.563 -21.281 -37.087 1.00 0.00 C ATOM 1722 O GLU A 462 -76.520 -20.691 -37.596 1.00 0.00 O ATOM 1723 CB GLU A 462 -76.084 -21.452 -34.607 1.00 0.00 C ATOM 1724 CG GLU A 462 -77.259 -20.525 -34.356 1.00 0.00 C ATOM 1725 CD GLU A 462 -78.094 -20.947 -33.168 1.00 0.00 C ATOM 1726 OE1 GLU A 462 -78.676 -22.053 -33.200 1.00 0.00 O ATOM 1727 OE2 GLU A 462 -78.176 -20.168 -32.188 1.00 0.00 O1- ATOM 0 H GLU A 462 -75.724 -18.989 -35.382 1.00 0.00 H new ATOM 0 HA GLU A 462 -74.161 -21.479 -35.503 1.00 0.00 H new ATOM 0 HB2 GLU A 462 -76.465 -22.428 -34.908 1.00 0.00 H new ATOM 0 HB3 GLU A 462 -75.543 -21.595 -33.672 1.00 0.00 H new ATOM 0 HG2 GLU A 462 -76.889 -19.513 -34.193 1.00 0.00 H new ATOM 0 HG3 GLU A 462 -77.889 -20.495 -35.245 1.00 0.00 H new ATOM 1734 N TRP A 463 -74.866 -22.200 -37.718 1.00 0.00 N ATOM 1735 CA TRP A 463 -75.124 -22.552 -39.100 1.00 0.00 C ATOM 1736 C TRP A 463 -75.285 -24.057 -39.280 1.00 0.00 C ATOM 1737 O TRP A 463 -74.960 -24.845 -38.381 1.00 0.00 O ATOM 1738 CB TRP A 463 -74.016 -21.994 -40.010 1.00 0.00 C ATOM 1739 CG TRP A 463 -72.610 -22.208 -39.492 1.00 0.00 C ATOM 1740 CD1 TRP A 463 -71.984 -21.496 -38.505 1.00 0.00 C ATOM 1741 CD2 TRP A 463 -71.655 -23.178 -39.945 1.00 0.00 C ATOM 1742 NE1 TRP A 463 -70.713 -21.967 -38.312 1.00 0.00 N ATOM 1743 CE2 TRP A 463 -70.483 -22.999 -39.182 1.00 0.00 C ATOM 1744 CE3 TRP A 463 -71.676 -24.181 -40.914 1.00 0.00 C ATOM 1745 CZ2 TRP A 463 -69.347 -23.784 -39.362 1.00 0.00 C ATOM 1746 CZ3 TRP A 463 -70.547 -24.960 -41.091 1.00 0.00 C ATOM 1747 CH2 TRP A 463 -69.398 -24.758 -40.318 1.00 0.00 C ATOM 0 H TRP A 463 -74.104 -22.725 -37.289 1.00 0.00 H new ATOM 0 HA TRP A 463 -76.070 -22.096 -39.391 1.00 0.00 H new ATOM 0 HB2 TRP A 463 -74.102 -22.458 -40.992 1.00 0.00 H new ATOM 0 HB3 TRP A 463 -74.180 -20.925 -40.147 1.00 0.00 H new ATOM 0 HD1 TRP A 463 -72.429 -20.679 -37.957 1.00 0.00 H new ATOM 0 HE1 TRP A 463 -70.045 -21.607 -37.630 1.00 0.00 H new ATOM 0 HE3 TRP A 463 -72.558 -24.346 -41.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 -68.459 -23.628 -38.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 -70.552 -25.739 -41.840 1.00 0.00 H new ATOM 0 HH2 TRP A 463 -68.534 -25.385 -40.481 1.00 0.00 H new ATOM 1758 N CYS A 464 -75.795 -24.448 -40.441 1.00 0.00 N ATOM 1759 CA CYS A 464 -76.065 -25.844 -40.731 1.00 0.00 C ATOM 1760 C CYS A 464 -74.800 -26.582 -41.105 1.00 0.00 C ATOM 1761 O CYS A 464 -73.906 -26.035 -41.747 1.00 0.00 O ATOM 1762 CB CYS A 464 -77.090 -25.959 -41.851 1.00 0.00 C ATOM 1763 SG CYS A 464 -77.745 -27.646 -42.122 1.00 0.00 S ATOM 0 H CYS A 464 -76.030 -23.809 -41.201 1.00 0.00 H new ATOM 0 HA CYS A 464 -76.468 -26.303 -39.828 1.00 0.00 H new ATOM 0 HB2 CYS A 464 -77.924 -25.292 -41.631 1.00 0.00 H new ATOM 0 HB3 CYS A 464 -76.636 -25.608 -42.778 1.00 0.00 H new ATOM 0 HG CYS A 464 -79.036 -27.593 -42.263 1.00 0.00 H new ATOM 1768 N TRP A 465 -74.729 -27.816 -40.691 1.00 0.00 N ATOM 1769 CA TRP A 465 -73.582 -28.655 -40.976 1.00 0.00 C ATOM 1770 C TRP A 465 -73.584 -29.164 -42.416 1.00 0.00 C ATOM 1771 O TRP A 465 -72.541 -29.224 -43.066 1.00 0.00 O ATOM 1772 CB TRP A 465 -73.531 -29.837 -40.000 1.00 0.00 C ATOM 1773 CG TRP A 465 -72.515 -30.872 -40.358 1.00 0.00 C ATOM 1774 CD1 TRP A 465 -72.752 -32.186 -40.632 1.00 0.00 C ATOM 1775 CD2 TRP A 465 -71.106 -30.679 -40.500 1.00 0.00 C ATOM 1776 NE1 TRP A 465 -71.577 -32.822 -40.931 1.00 0.00 N ATOM 1777 CE2 TRP A 465 -70.554 -31.918 -40.860 1.00 0.00 C ATOM 1778 CE3 TRP A 465 -70.257 -29.577 -40.357 1.00 0.00 C ATOM 1779 CZ2 TRP A 465 -69.201 -32.090 -41.081 1.00 0.00 C ATOM 1780 CZ3 TRP A 465 -68.907 -29.748 -40.575 1.00 0.00 C ATOM 1781 CH2 TRP A 465 -68.390 -30.994 -40.935 1.00 0.00 C ATOM 0 H TRP A 465 -75.459 -28.275 -40.147 1.00 0.00 H new ATOM 0 HA TRP A 465 -72.692 -28.039 -40.847 1.00 0.00 H new ATOM 0 HB2 TRP A 465 -73.316 -29.461 -39.000 1.00 0.00 H new ATOM 0 HB3 TRP A 465 -74.514 -30.305 -39.960 1.00 0.00 H new ATOM 0 HD1 TRP A 465 -73.724 -32.656 -40.616 1.00 0.00 H new ATOM 0 HE1 TRP A 465 -71.481 -33.809 -41.168 1.00 0.00 H new ATOM 0 HE3 TRP A 465 -70.652 -28.610 -40.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 465 -68.797 -33.052 -41.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 465 -68.239 -28.906 -40.466 1.00 0.00 H new ATOM 0 HH2 TRP A 465 -67.328 -31.097 -41.102 1.00 0.00 H new ATOM 1792 N VAL A 466 -74.749 -29.513 -42.914 1.00 0.00 N ATOM 1793 CA VAL A 466 -74.841 -30.150 -44.216 1.00 0.00 C ATOM 1794 C VAL A 466 -75.137 -29.173 -45.368 1.00 0.00 C ATOM 1795 O VAL A 466 -75.094 -29.563 -46.544 1.00 0.00 O ATOM 1796 CB VAL A 466 -75.844 -31.322 -44.200 1.00 0.00 C ATOM 1797 CG1 VAL A 466 -75.300 -32.459 -43.331 1.00 0.00 C ATOM 1798 CG2 VAL A 466 -77.194 -30.866 -43.680 1.00 0.00 C ATOM 0 H VAL A 466 -75.643 -29.369 -42.444 1.00 0.00 H new ATOM 0 HA VAL A 466 -73.847 -30.550 -44.418 1.00 0.00 H new ATOM 0 HB VAL A 466 -75.975 -31.682 -45.220 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -76.012 -33.284 -43.323 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -74.349 -32.804 -43.737 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -75.150 -32.099 -42.313 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -77.886 -31.708 -43.677 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -77.083 -30.484 -42.665 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -77.584 -30.078 -44.324 1.00 0.00 H new ATOM 1808 N CYS A 467 -75.437 -27.923 -45.045 1.00 0.00 N ATOM 1809 CA CYS A 467 -75.624 -26.894 -46.070 1.00 0.00 C ATOM 1810 C CYS A 467 -75.200 -25.556 -45.514 1.00 0.00 C ATOM 1811 O CYS A 467 -75.182 -25.369 -44.305 1.00 0.00 O ATOM 1812 CB CYS A 467 -77.084 -26.832 -46.568 1.00 0.00 C ATOM 1813 SG CYS A 467 -78.280 -26.143 -45.380 1.00 0.00 S ATOM 0 H CYS A 467 -75.557 -27.593 -44.087 1.00 0.00 H new ATOM 0 HA CYS A 467 -75.005 -27.152 -46.929 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -77.115 -26.234 -47.479 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -77.402 -27.839 -46.837 1.00 0.00 H new ATOM 0 HG CYS A 467 -78.105 -26.697 -44.217 1.00 0.00 H new ATOM 1818 N GLN A 468 -74.834 -24.630 -46.368 1.00 0.00 N ATOM 1819 CA GLN A 468 -74.453 -23.335 -45.869 1.00 0.00 C ATOM 1820 C GLN A 468 -75.649 -22.426 -45.825 1.00 0.00 C ATOM 1821 O GLN A 468 -76.137 -21.954 -46.855 1.00 0.00 O ATOM 1822 CB GLN A 468 -73.337 -22.726 -46.716 1.00 0.00 C ATOM 1823 CG GLN A 468 -71.953 -23.266 -46.384 1.00 0.00 C ATOM 1824 CD GLN A 468 -71.434 -22.771 -45.038 1.00 0.00 C ATOM 1825 OE1 GLN A 468 -72.203 -22.484 -44.118 1.00 0.00 O ATOM 1826 NE2 GLN A 468 -70.128 -22.673 -44.917 1.00 0.00 N ATOM 0 H GLN A 468 -74.793 -24.744 -47.381 1.00 0.00 H new ATOM 0 HA GLN A 468 -74.070 -23.455 -44.856 1.00 0.00 H new ATOM 0 HB2 GLN A 468 -73.548 -22.914 -47.769 1.00 0.00 H new ATOM 0 HB3 GLN A 468 -73.338 -21.645 -46.579 1.00 0.00 H new ATOM 0 HG2 GLN A 468 -71.985 -24.356 -46.378 1.00 0.00 H new ATOM 0 HG3 GLN A 468 -71.255 -22.972 -47.168 1.00 0.00 H new ATOM 0 HE21 GLN A 468 -69.523 -22.920 -45.701 1.00 0.00 H new ATOM 0 HE22 GLN A 468 -69.720 -22.350 -44.040 1.00 0.00 H new ATOM 1835 N THR A 469 -76.098 -22.170 -44.624 1.00 0.00 N ATOM 1836 CA THR A 469 -77.230 -21.322 -44.364 1.00 0.00 C ATOM 1837 C THR A 469 -77.122 -20.763 -42.963 1.00 0.00 C ATOM 1838 O THR A 469 -76.261 -21.184 -42.184 1.00 0.00 O ATOM 1839 CB THR A 469 -78.567 -22.106 -44.475 1.00 0.00 C ATOM 1840 OG1 THR A 469 -78.429 -23.395 -43.864 1.00 0.00 O ATOM 1841 CG2 THR A 469 -79.016 -22.263 -45.921 1.00 0.00 C ATOM 0 H THR A 469 -75.676 -22.555 -43.779 1.00 0.00 H new ATOM 0 HA THR A 469 -77.228 -20.524 -45.107 1.00 0.00 H new ATOM 0 HB THR A 469 -79.331 -21.531 -43.953 1.00 0.00 H new ATOM 0 HG1 THR A 469 -78.409 -24.086 -44.559 1.00 0.00 H new ATOM 0 HG21 THR A 469 -79.954 -22.817 -45.953 1.00 0.00 H new ATOM 0 HG22 THR A 469 -79.160 -21.279 -46.366 1.00 0.00 H new ATOM 0 HG23 THR A 469 -78.255 -22.806 -46.481 1.00 0.00 H new ATOM 1849 N GLU A 470 -77.965 -19.819 -42.649 1.00 0.00 N ATOM 1850 CA GLU A 470 -78.052 -19.306 -41.310 1.00 0.00 C ATOM 1851 C GLU A 470 -79.180 -20.028 -40.602 1.00 0.00 C ATOM 1852 O GLU A 470 -80.059 -20.590 -41.269 1.00 0.00 O ATOM 1853 CB GLU A 470 -78.292 -17.804 -41.318 1.00 0.00 C ATOM 1854 CG GLU A 470 -79.506 -17.393 -42.102 1.00 0.00 C ATOM 1855 CD GLU A 470 -79.742 -15.907 -42.059 1.00 0.00 C ATOM 1856 OE1 GLU A 470 -79.188 -15.187 -42.918 1.00 0.00 O1- ATOM 1857 OE2 GLU A 470 -80.476 -15.445 -41.167 1.00 0.00 O ATOM 0 H GLU A 470 -78.609 -19.385 -43.311 1.00 0.00 H new ATOM 0 HA GLU A 470 -77.112 -19.478 -40.785 1.00 0.00 H new ATOM 0 HB2 GLU A 470 -78.398 -17.456 -40.291 1.00 0.00 H new ATOM 0 HB3 GLU A 470 -77.416 -17.307 -41.734 1.00 0.00 H new ATOM 0 HG2 GLU A 470 -79.390 -17.710 -43.139 1.00 0.00 H new ATOM 0 HG3 GLU A 470 -80.382 -17.909 -41.707 1.00 0.00 H new ATOM 1864 N TRP A 471 -79.139 -20.061 -39.276 1.00 0.00 N ATOM 1865 CA TRP A 471 -80.186 -20.724 -38.498 1.00 0.00 C ATOM 1866 C TRP A 471 -81.581 -20.287 -38.955 1.00 0.00 C ATOM 1867 O TRP A 471 -81.976 -19.124 -38.809 1.00 0.00 O ATOM 1868 CB TRP A 471 -79.990 -20.508 -36.977 1.00 0.00 C ATOM 1869 CG TRP A 471 -80.167 -19.088 -36.501 1.00 0.00 C ATOM 1870 CD1 TRP A 471 -81.254 -18.575 -35.851 1.00 0.00 C ATOM 1871 CD2 TRP A 471 -79.233 -18.006 -36.628 1.00 0.00 C ATOM 1872 NE1 TRP A 471 -81.056 -17.248 -35.575 1.00 0.00 N ATOM 1873 CE2 TRP A 471 -79.827 -16.874 -36.040 1.00 0.00 C ATOM 1874 CE3 TRP A 471 -77.957 -17.883 -37.182 1.00 0.00 C ATOM 1875 CZ2 TRP A 471 -79.191 -15.640 -35.992 1.00 0.00 C ATOM 1876 CZ3 TRP A 471 -77.329 -16.659 -37.132 1.00 0.00 C ATOM 1877 CH2 TRP A 471 -77.945 -15.552 -36.542 1.00 0.00 C ATOM 0 H TRP A 471 -78.398 -19.640 -38.716 1.00 0.00 H new ATOM 0 HA TRP A 471 -80.102 -21.795 -38.683 1.00 0.00 H new ATOM 0 HB2 TRP A 471 -80.696 -21.144 -36.442 1.00 0.00 H new ATOM 0 HB3 TRP A 471 -78.989 -20.843 -36.705 1.00 0.00 H new ATOM 0 HD1 TRP A 471 -82.141 -19.135 -35.592 1.00 0.00 H new ATOM 0 HE1 TRP A 471 -81.720 -16.637 -35.099 1.00 0.00 H new ATOM 0 HE3 TRP A 471 -77.472 -18.732 -37.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 471 -79.665 -14.783 -35.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 471 -76.342 -16.552 -37.557 1.00 0.00 H new ATOM 0 HH2 TRP A 471 -77.424 -14.606 -36.521 1.00 0.00 H new ATOM 1888 N THR A 472 -82.296 -21.215 -39.546 1.00 0.00 N ATOM 1889 CA THR A 472 -83.616 -20.958 -40.060 1.00 0.00 C ATOM 1890 C THR A 472 -84.559 -22.072 -39.654 1.00 0.00 C ATOM 1891 O THR A 472 -84.143 -23.220 -39.504 1.00 0.00 O ATOM 1892 CB THR A 472 -83.597 -20.835 -41.600 1.00 0.00 C ATOM 1893 OG1 THR A 472 -82.743 -21.844 -42.159 1.00 0.00 O ATOM 1894 CG2 THR A 472 -83.117 -19.456 -42.036 1.00 0.00 C ATOM 0 H THR A 472 -81.975 -22.173 -39.683 1.00 0.00 H new ATOM 0 HA THR A 472 -83.963 -20.014 -39.639 1.00 0.00 H new ATOM 0 HB THR A 472 -84.615 -20.974 -41.964 1.00 0.00 H new ATOM 0 HG1 THR A 472 -81.806 -21.594 -42.019 1.00 0.00 H new ATOM 0 HG21 THR A 472 -83.114 -19.399 -43.125 1.00 0.00 H new ATOM 0 HG22 THR A 472 -83.785 -18.694 -41.635 1.00 0.00 H new ATOM 0 HG23 THR A 472 -82.108 -19.287 -41.661 1.00 0.00 H new ATOM 1902 N ARG A 473 -85.823 -21.739 -39.469 1.00 0.00 N ATOM 1903 CA ARG A 473 -86.816 -22.727 -39.076 1.00 0.00 C ATOM 1904 C ARG A 473 -87.173 -23.605 -40.260 1.00 0.00 C ATOM 1905 O ARG A 473 -87.645 -24.733 -40.098 1.00 0.00 O ATOM 1906 CB ARG A 473 -88.055 -22.045 -38.496 1.00 0.00 C ATOM 1907 CG ARG A 473 -87.723 -21.044 -37.396 1.00 0.00 C ATOM 1908 CD ARG A 473 -86.948 -21.699 -36.260 1.00 0.00 C ATOM 1909 NE ARG A 473 -86.138 -20.730 -35.528 1.00 0.00 N ATOM 1910 CZ ARG A 473 -85.107 -21.045 -34.743 1.00 0.00 C ATOM 1911 NH1 ARG A 473 -84.801 -22.325 -34.516 1.00 0.00 N1+ ATOM 1912 NH2 ARG A 473 -84.391 -20.085 -34.176 1.00 0.00 N ATOM 0 H ARG A 473 -86.188 -20.794 -39.584 1.00 0.00 H new ATOM 0 HA ARG A 473 -86.394 -23.361 -38.296 1.00 0.00 H new ATOM 0 HB2 ARG A 473 -88.589 -21.533 -39.296 1.00 0.00 H new ATOM 0 HB3 ARG A 473 -88.728 -22.804 -38.098 1.00 0.00 H new ATOM 0 HG2 ARG A 473 -87.137 -20.225 -37.813 1.00 0.00 H new ATOM 0 HG3 ARG A 473 -88.644 -20.611 -37.007 1.00 0.00 H new ATOM 0 HD2 ARG A 473 -87.645 -22.181 -35.575 1.00 0.00 H new ATOM 0 HD3 ARG A 473 -86.304 -22.481 -36.663 1.00 0.00 H new ATOM 0 HE ARG A 473 -86.377 -19.743 -35.624 1.00 0.00 H new ATOM 0 HH11 ARG A 473 -85.357 -23.066 -34.944 1.00 0.00 H new ATOM 0 HH12 ARG A 473 -84.012 -22.562 -33.915 1.00 0.00 H new ATOM 0 HH21 ARG A 473 -84.629 -19.107 -34.340 1.00 0.00 H new ATOM 0 HH22 ARG A 473 -83.602 -20.324 -33.575 1.00 0.00 H new ATOM 1926 N ASP A 474 -86.926 -23.080 -41.450 1.00 0.00 N ATOM 1927 CA ASP A 474 -87.126 -23.823 -42.681 1.00 0.00 C ATOM 1928 C ASP A 474 -86.201 -25.029 -42.714 1.00 0.00 C ATOM 1929 O ASP A 474 -86.637 -26.159 -42.945 1.00 0.00 O ATOM 1930 CB ASP A 474 -86.850 -22.929 -43.885 1.00 0.00 C ATOM 1931 CG ASP A 474 -86.917 -23.681 -45.193 1.00 0.00 C ATOM 1932 OD1 ASP A 474 -88.038 -23.988 -45.650 1.00 0.00 O ATOM 1933 OD2 ASP A 474 -85.848 -23.955 -45.780 1.00 0.00 O1- ATOM 0 H ASP A 474 -86.582 -22.130 -41.588 1.00 0.00 H new ATOM 0 HA ASP A 474 -88.161 -24.163 -42.722 1.00 0.00 H new ATOM 0 HB2 ASP A 474 -87.573 -22.114 -43.901 1.00 0.00 H new ATOM 0 HB3 ASP A 474 -85.863 -22.478 -43.779 1.00 0.00 H new ATOM 1938 N CYS A 475 -84.920 -24.780 -42.459 1.00 0.00 N ATOM 1939 CA CYS A 475 -83.927 -25.838 -42.433 1.00 0.00 C ATOM 1940 C CYS A 475 -84.079 -26.652 -41.152 1.00 0.00 C ATOM 1941 O CYS A 475 -83.803 -27.856 -41.132 1.00 0.00 O ATOM 1942 CB CYS A 475 -82.514 -25.243 -42.526 1.00 0.00 C ATOM 1943 SG CYS A 475 -81.213 -26.458 -42.846 1.00 0.00 S ATOM 0 H CYS A 475 -84.549 -23.850 -42.267 1.00 0.00 H new ATOM 0 HA CYS A 475 -84.080 -26.494 -43.290 1.00 0.00 H new ATOM 0 HB2 CYS A 475 -82.499 -24.495 -43.319 1.00 0.00 H new ATOM 0 HB3 CYS A 475 -82.289 -24.724 -41.594 1.00 0.00 H new ATOM 0 HG CYS A 475 -81.356 -26.942 -44.044 1.00 0.00 H new ATOM 1948 N MET A 476 -84.543 -25.982 -40.091 1.00 0.00 N ATOM 1949 CA MET A 476 -84.756 -26.609 -38.781 1.00 0.00 C ATOM 1950 C MET A 476 -85.620 -27.860 -38.888 1.00 0.00 C ATOM 1951 O MET A 476 -85.386 -28.849 -38.198 1.00 0.00 O ATOM 1952 CB MET A 476 -85.400 -25.616 -37.817 1.00 0.00 C ATOM 1953 CG MET A 476 -85.625 -26.165 -36.419 1.00 0.00 C ATOM 1954 SD MET A 476 -86.366 -24.947 -35.321 1.00 0.00 S ATOM 1955 CE MET A 476 -86.604 -25.931 -33.845 1.00 0.00 C ATOM 0 H MET A 476 -84.781 -24.991 -40.116 1.00 0.00 H new ATOM 0 HA MET A 476 -83.780 -26.906 -38.398 1.00 0.00 H new ATOM 0 HB2 MET A 476 -84.769 -24.730 -37.750 1.00 0.00 H new ATOM 0 HB3 MET A 476 -86.357 -25.296 -38.228 1.00 0.00 H new ATOM 0 HG2 MET A 476 -86.270 -27.042 -36.474 1.00 0.00 H new ATOM 0 HG3 MET A 476 -84.673 -26.495 -36.003 1.00 0.00 H new ATOM 0 HE1 MET A 476 -87.057 -25.316 -33.067 1.00 0.00 H new ATOM 0 HE2 MET A 476 -87.259 -26.772 -34.070 1.00 0.00 H new ATOM 0 HE3 MET A 476 -85.641 -26.304 -33.497 1.00 0.00 H new ATOM 1965 N GLY A 477 -86.615 -27.809 -39.755 1.00 0.00 N ATOM 1966 CA GLY A 477 -87.485 -28.945 -39.943 1.00 0.00 C ATOM 1967 C GLY A 477 -87.131 -29.736 -41.184 1.00 0.00 C ATOM 1968 O GLY A 477 -87.903 -30.593 -41.627 1.00 0.00 O ATOM 0 H GLY A 477 -86.836 -26.998 -40.333 1.00 0.00 H new ATOM 0 HA2 GLY A 477 -87.425 -29.595 -39.070 1.00 0.00 H new ATOM 0 HA3 GLY A 477 -88.517 -28.602 -40.015 1.00 0.00 H new ATOM 1972 N ALA A 478 -85.965 -29.461 -41.747 1.00 0.00 N ATOM 1973 CA ALA A 478 -85.527 -30.141 -42.951 1.00 0.00 C ATOM 1974 C ALA A 478 -84.377 -31.096 -42.661 1.00 0.00 C ATOM 1975 O ALA A 478 -84.533 -32.312 -42.766 1.00 0.00 O ATOM 1976 CB ALA A 478 -85.131 -29.133 -44.022 1.00 0.00 C ATOM 0 H ALA A 478 -85.306 -28.771 -41.387 1.00 0.00 H new ATOM 0 HA ALA A 478 -86.364 -30.732 -43.323 1.00 0.00 H new ATOM 0 HB1 ALA A 478 -84.805 -29.662 -44.917 1.00 0.00 H new ATOM 0 HB2 ALA A 478 -85.988 -28.504 -44.264 1.00 0.00 H new ATOM 0 HB3 ALA A 478 -84.316 -28.510 -43.652 1.00 0.00 H new ATOM 1982 N HIS A 479 -83.231 -30.553 -42.277 1.00 0.00 N ATOM 1983 CA HIS A 479 -82.066 -31.386 -41.991 1.00 0.00 C ATOM 1984 C HIS A 479 -81.115 -30.715 -41.000 1.00 0.00 C ATOM 1985 O HIS A 479 -79.986 -31.160 -40.827 1.00 0.00 O ATOM 1986 CB HIS A 479 -81.320 -31.761 -43.291 1.00 0.00 C ATOM 1987 CG HIS A 479 -80.821 -30.594 -44.099 1.00 0.00 C ATOM 1988 ND1 HIS A 479 -80.779 -30.574 -45.474 1.00 0.00 N ATOM 1989 CD2 HIS A 479 -80.315 -29.407 -43.696 1.00 0.00 C ATOM 1990 CE1 HIS A 479 -80.257 -29.403 -45.852 1.00 0.00 C ATOM 1991 NE2 HIS A 479 -79.958 -28.656 -44.807 1.00 0.00 N ATOM 0 H HIS A 479 -83.080 -29.551 -42.156 1.00 0.00 H new ATOM 0 HA HIS A 479 -82.433 -32.301 -41.527 1.00 0.00 H new ATOM 0 HB2 HIS A 479 -80.471 -32.395 -43.035 1.00 0.00 H new ATOM 0 HB3 HIS A 479 -81.986 -32.357 -43.915 1.00 0.00 H new ATOM 0 HD2 HIS A 479 -80.206 -29.092 -42.669 1.00 0.00 H new ATOM 0 HE1 HIS A 479 -80.101 -29.107 -46.879 1.00 0.00 H new ATOM 0 HE2 HIS A 479 -79.550 -27.721 -44.814 1.00 0.00 H new ATOM 1999 N TRP A 480 -81.587 -29.647 -40.368 1.00 0.00 N ATOM 2000 CA TRP A 480 -80.806 -28.891 -39.381 1.00 0.00 C ATOM 2001 C TRP A 480 -80.339 -29.805 -38.258 1.00 0.00 C ATOM 2002 O TRP A 480 -79.194 -29.732 -37.808 1.00 0.00 O ATOM 2003 CB TRP A 480 -81.683 -27.786 -38.813 1.00 0.00 C ATOM 2004 CG TRP A 480 -81.020 -26.873 -37.831 1.00 0.00 C ATOM 2005 CD1 TRP A 480 -81.155 -26.897 -36.474 1.00 0.00 C ATOM 2006 CD2 TRP A 480 -80.143 -25.783 -38.126 1.00 0.00 C ATOM 2007 NE1 TRP A 480 -80.421 -25.888 -35.910 1.00 0.00 N ATOM 2008 CE2 TRP A 480 -79.787 -25.191 -36.903 1.00 0.00 C ATOM 2009 CE3 TRP A 480 -79.621 -25.251 -39.307 1.00 0.00 C ATOM 2010 CZ2 TRP A 480 -78.939 -24.093 -36.825 1.00 0.00 C ATOM 2011 CZ3 TRP A 480 -78.779 -24.163 -39.227 1.00 0.00 C ATOM 2012 CH2 TRP A 480 -78.447 -23.595 -37.994 1.00 0.00 C ATOM 0 H TRP A 480 -82.524 -29.275 -40.522 1.00 0.00 H new ATOM 0 HA TRP A 480 -79.927 -28.464 -39.863 1.00 0.00 H new ATOM 0 HB2 TRP A 480 -82.062 -27.186 -39.641 1.00 0.00 H new ATOM 0 HB3 TRP A 480 -82.546 -28.244 -38.330 1.00 0.00 H new ATOM 0 HD1 TRP A 480 -81.754 -27.608 -35.924 1.00 0.00 H new ATOM 0 HE1 TRP A 480 -80.357 -25.688 -34.912 1.00 0.00 H new ATOM 0 HE3 TRP A 480 -79.872 -25.684 -40.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 480 -78.680 -23.651 -35.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 480 -78.369 -23.742 -40.133 1.00 0.00 H new ATOM 0 HH2 TRP A 480 -77.785 -22.742 -37.967 1.00 0.00 H new ATOM 2023 N PHE A 481 -81.239 -30.654 -37.807 1.00 0.00 N ATOM 2024 CA PHE A 481 -80.936 -31.610 -36.774 1.00 0.00 C ATOM 2025 C PHE A 481 -81.752 -32.869 -37.010 1.00 0.00 C ATOM 2026 O PHE A 481 -82.883 -32.998 -36.529 1.00 0.00 O ATOM 2027 CB PHE A 481 -81.230 -31.017 -35.388 1.00 0.00 C ATOM 2028 CG PHE A 481 -80.717 -31.847 -34.243 1.00 0.00 C ATOM 2029 CD1 PHE A 481 -79.368 -31.859 -33.934 1.00 0.00 C ATOM 2030 CD2 PHE A 481 -81.582 -32.607 -33.476 1.00 0.00 C ATOM 2031 CE1 PHE A 481 -78.892 -32.614 -32.880 1.00 0.00 C ATOM 2032 CE2 PHE A 481 -81.111 -33.366 -32.421 1.00 0.00 C ATOM 2033 CZ PHE A 481 -79.764 -33.369 -32.124 1.00 0.00 C ATOM 0 H PHE A 481 -82.199 -30.697 -38.149 1.00 0.00 H new ATOM 0 HA PHE A 481 -79.876 -31.860 -36.807 1.00 0.00 H new ATOM 0 HB2 PHE A 481 -80.787 -30.023 -35.329 1.00 0.00 H new ATOM 0 HB3 PHE A 481 -82.307 -30.893 -35.279 1.00 0.00 H new ATOM 0 HD1 PHE A 481 -78.680 -31.271 -34.524 1.00 0.00 H new ATOM 0 HD2 PHE A 481 -82.638 -32.607 -33.704 1.00 0.00 H new ATOM 0 HE1 PHE A 481 -77.837 -32.613 -32.648 1.00 0.00 H new ATOM 0 HE2 PHE A 481 -81.796 -33.956 -31.830 1.00 0.00 H new ATOM 0 HZ PHE A 481 -79.393 -33.962 -31.301 1.00 0.00 H new ATOM 2043 N GLY A 482 -81.189 -33.780 -37.775 1.00 0.00 N ATOM 2044 CA GLY A 482 -81.880 -35.000 -38.100 1.00 0.00 C ATOM 2045 C GLY A 482 -82.955 -34.767 -39.136 1.00 0.00 C ATOM 2046 O GLY A 482 -82.739 -33.938 -40.045 1.00 0.00 O ATOM 2047 OXT GLY A 482 -84.035 -35.377 -39.032 1.00 0.00 O ATOM 0 H GLY A 482 -80.257 -33.695 -38.180 1.00 0.00 H new ATOM 0 HA2 GLY A 482 -81.167 -35.735 -38.473 1.00 0.00 H new ATOM 0 HA3 GLY A 482 -82.327 -35.418 -37.198 1.00 0.00 H new