USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=35 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 -45:sc= 1.31 USER MOD Set 1.2: A 467 CYS SG : rot -76:sc= 0.426 USER MOD Set 1.3: A 469 THR OG1 : rot -125:sc= 1.37 USER MOD Set 1.4: A 475 CYS SG : rot -116:sc= 0.727 USER MOD Set 1.5: A 479 HIS : no HE2:sc= -0.565 K(o=3.3,f=-6.1!) USER MOD Set 2.1: A 436 CYS SG : rot -166:sc= 1.14 USER MOD Set 2.2: A 439 CYS SG : rot -91:sc= 1.66 USER MOD Set 2.3: A 441 THR OG1 : rot -123:sc= 1.44 USER MOD Set 2.4: A 443 THR OG1 : rot 180:sc= 0 USER MOD Set 2.5: A 454 CYS SG : rot 88:sc= -0.15 USER MOD Set 2.6: A 459 CYS SG : rot -156:sc= -0.439 USER MOD Set 3.1: A 382 CYS SG : rot -114:sc= 0.481 USER MOD Set 3.2: A 384 ASN : amide:sc= -0.0855! C(o=-5.2!,f=-12!) USER MOD Set 3.3: A 385 CYS SG : rot -101:sc= -0.736! USER MOD Set 3.4: A 390 HIS : no HD1:sc= -4.52! C(o=-5.2!,f=-18!) USER MOD Set 3.5: A 394 CYS SG : rot -146:sc= -0.382! USER MOD Set 4.1: A 370 LYS NZ :NH3+ -161:sc= 1.04 (180deg=0.304) USER MOD Set 4.2: A 389 TYR OH : rot 135:sc= -0.0713 USER MOD Set 5.1: A 353 CYS SG : rot 172:sc= -2.49! USER MOD Set 5.2: A 355 GLN :FLIP amide:sc= 0.448 F(o=-15!,f=-12) USER MOD Set 5.3: A 358 CYS SG : rot 173:sc= -0.928 USER MOD Set 5.4: A 360 MET CE :methyl -112:sc= -7.93! (180deg=-5.28!) USER MOD Set 5.5: A 373 CYS SG : rot -160:sc= 0.222 USER MOD Set 5.6: A 375 ASN : amide:sc= -0.0161 K(o=-12,f=-13) USER MOD Set 5.7: A 377 CYS SG : rot 114:sc= -1.21! USER MOD Single : A 368 CYS SG : rot -87:sc= 0.381 USER MOD Single : A 372 THR OG1 : rot -19:sc= 0.715 USER MOD Single : A 374 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.098) USER MOD Single : A 379 TYR OH : rot 180:sc= 0 USER MOD Single : A 387 GLN : amide:sc= -0.079 X(o=-0.079,f=-0.1) USER MOD Single : A 432 SER OG : rot 180:sc= 0 USER MOD Single : A 433 THR OG1 : rot 180:sc= 0.0656 USER MOD Single : A 434 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 LYS NZ :NH3+ -142:sc= -0.135 (180deg=-0.725) USER MOD Single : A 449 CYS SG : rot 1:sc= 1.19 USER MOD Single : A 450 MET CE :methyl 147:sc= -0.268 (180deg=-1.07) USER MOD Single : A 451 HIS :FLIP no HE2:sc= 0.222 F(o=-0.9,f=0.22) USER MOD Single : A 452 MET CE :methyl 166:sc= -0.748 (180deg=-1.57) USER MOD Single : A 455 THR OG1 : rot 180:sc= 0 USER MOD Single : A 468 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 472 THR OG1 : rot 180:sc= 0.388 USER MOD Single : A 476 MET CE :methyl -163:sc= -0.129 (180deg=-0.593) USER MOD ----------------------------------------------------------------- ATOM 123 N GLY A 350 80.835 -9.649 -42.965 1.00 0.00 N ATOM 124 CA GLY A 350 80.400 -10.106 -41.673 1.00 0.00 C ATOM 125 C GLY A 350 79.267 -9.274 -41.122 1.00 0.00 C ATOM 126 O GLY A 350 78.469 -8.714 -41.879 1.00 0.00 O ATOM 0 HA2 GLY A 350 80.082 -11.146 -41.746 1.00 0.00 H new ATOM 0 HA3 GLY A 350 81.240 -10.078 -40.979 1.00 0.00 H new ATOM 130 N VAL A 351 79.206 -9.182 -39.812 1.00 0.00 N ATOM 131 CA VAL A 351 78.159 -8.440 -39.130 1.00 0.00 C ATOM 132 C VAL A 351 78.808 -7.391 -38.217 1.00 0.00 C ATOM 133 O VAL A 351 80.030 -7.313 -38.136 1.00 0.00 O ATOM 134 CB VAL A 351 77.251 -9.411 -38.293 1.00 0.00 C ATOM 135 CG1 VAL A 351 75.997 -8.716 -37.767 1.00 0.00 C ATOM 136 CG2 VAL A 351 76.865 -10.629 -39.119 1.00 0.00 C ATOM 0 H VAL A 351 79.881 -9.619 -39.185 1.00 0.00 H new ATOM 0 HA VAL A 351 77.527 -7.943 -39.866 1.00 0.00 H new ATOM 0 HB VAL A 351 77.836 -9.732 -37.431 1.00 0.00 H new ATOM 0 HG11 VAL A 351 75.400 -9.426 -37.195 1.00 0.00 H new ATOM 0 HG12 VAL A 351 76.285 -7.883 -37.125 1.00 0.00 H new ATOM 0 HG13 VAL A 351 75.410 -8.342 -38.605 1.00 0.00 H new ATOM 0 HG21 VAL A 351 76.236 -11.289 -38.522 1.00 0.00 H new ATOM 0 HG22 VAL A 351 76.316 -10.309 -40.005 1.00 0.00 H new ATOM 0 HG23 VAL A 351 77.765 -11.163 -39.423 1.00 0.00 H new ATOM 146 N LEU A 352 78.007 -6.583 -37.566 1.00 0.00 N ATOM 147 CA LEU A 352 78.513 -5.579 -36.657 1.00 0.00 C ATOM 148 C LEU A 352 77.992 -5.833 -35.256 1.00 0.00 C ATOM 149 O LEU A 352 76.911 -6.398 -35.082 1.00 0.00 O ATOM 150 CB LEU A 352 78.113 -4.172 -37.113 1.00 0.00 C ATOM 151 CG LEU A 352 78.668 -3.720 -38.464 1.00 0.00 C ATOM 152 CD1 LEU A 352 78.232 -2.301 -38.767 1.00 0.00 C ATOM 153 CD2 LEU A 352 80.181 -3.827 -38.482 1.00 0.00 C ATOM 0 H LEU A 352 76.991 -6.601 -37.649 1.00 0.00 H new ATOM 0 HA LEU A 352 79.601 -5.643 -36.654 1.00 0.00 H new ATOM 0 HB2 LEU A 352 77.025 -4.121 -37.155 1.00 0.00 H new ATOM 0 HB3 LEU A 352 78.437 -3.460 -36.354 1.00 0.00 H new ATOM 0 HG LEU A 352 78.269 -4.377 -39.237 1.00 0.00 H new ATOM 0 HD11 LEU A 352 78.636 -1.995 -39.732 1.00 0.00 H new ATOM 0 HD12 LEU A 352 77.143 -2.253 -38.797 1.00 0.00 H new ATOM 0 HD13 LEU A 352 78.603 -1.633 -37.990 1.00 0.00 H new ATOM 0 HD21 LEU A 352 80.557 -3.501 -39.452 1.00 0.00 H new ATOM 0 HD22 LEU A 352 80.600 -3.195 -37.699 1.00 0.00 H new ATOM 0 HD23 LEU A 352 80.475 -4.862 -38.308 1.00 0.00 H new ATOM 165 N CYS A 353 78.770 -5.428 -34.265 1.00 0.00 N ATOM 166 CA CYS A 353 78.399 -5.589 -32.869 1.00 0.00 C ATOM 167 C CYS A 353 77.074 -4.874 -32.580 1.00 0.00 C ATOM 168 O CYS A 353 76.799 -3.807 -33.137 1.00 0.00 O ATOM 169 CB CYS A 353 79.513 -5.024 -31.993 1.00 0.00 C ATOM 170 SG CYS A 353 79.359 -5.353 -30.204 1.00 0.00 S ATOM 0 H CYS A 353 79.675 -4.979 -34.406 1.00 0.00 H new ATOM 0 HA CYS A 353 78.264 -6.648 -32.648 1.00 0.00 H new ATOM 0 HB2 CYS A 353 80.463 -5.432 -32.338 1.00 0.00 H new ATOM 0 HB3 CYS A 353 79.556 -3.945 -32.143 1.00 0.00 H new ATOM 0 HG CYS A 353 80.446 -4.977 -29.598 1.00 0.00 H new ATOM 175 N PRO A 354 76.237 -5.466 -31.722 1.00 0.00 N ATOM 176 CA PRO A 354 74.935 -4.895 -31.345 1.00 0.00 C ATOM 177 C PRO A 354 75.075 -3.652 -30.474 1.00 0.00 C ATOM 178 O PRO A 354 74.095 -2.956 -30.197 1.00 0.00 O ATOM 179 CB PRO A 354 74.283 -6.022 -30.542 1.00 0.00 C ATOM 180 CG PRO A 354 75.425 -6.803 -30.003 1.00 0.00 C ATOM 181 CD PRO A 354 76.483 -6.756 -31.056 1.00 0.00 C ATOM 0 HA PRO A 354 74.364 -4.574 -32.216 1.00 0.00 H new ATOM 0 HB2 PRO A 354 73.658 -5.628 -29.741 1.00 0.00 H new ATOM 0 HB3 PRO A 354 73.642 -6.639 -31.172 1.00 0.00 H new ATOM 0 HG2 PRO A 354 75.785 -6.375 -29.068 1.00 0.00 H new ATOM 0 HG3 PRO A 354 75.130 -7.831 -29.790 1.00 0.00 H new ATOM 0 HD2 PRO A 354 77.483 -6.802 -30.625 1.00 0.00 H new ATOM 0 HD3 PRO A 354 76.397 -7.591 -31.751 1.00 0.00 H new ATOM 189 N GLN A 355 76.283 -3.381 -30.041 1.00 0.00 N ATOM 190 CA GLN A 355 76.548 -2.243 -29.197 1.00 0.00 C ATOM 191 C GLN A 355 76.984 -1.036 -30.021 1.00 0.00 C ATOM 192 O GLN A 355 77.868 -1.138 -30.875 1.00 0.00 O ATOM 193 CB GLN A 355 77.581 -2.610 -28.145 1.00 0.00 C ATOM 194 CG GLN A 355 77.000 -3.458 -27.021 1.00 0.00 C ATOM 195 CD GLN A 355 78.021 -4.353 -26.353 1.00 0.00 C ATOM 196 OE1 GLN A 355 78.928 -4.899 -27.131 1.00 0.00 O flip ATOM 197 NE2 GLN A 355 77.960 -4.587 -25.149 1.00 0.00 N flip ATOM 0 H GLN A 355 77.106 -3.941 -30.263 1.00 0.00 H new ATOM 0 HA GLN A 355 75.627 -1.961 -28.687 1.00 0.00 H new ATOM 0 HB2 GLN A 355 78.399 -3.153 -28.619 1.00 0.00 H new ATOM 0 HB3 GLN A 355 78.005 -1.698 -27.725 1.00 0.00 H new ATOM 0 HG2 GLN A 355 76.558 -2.801 -26.272 1.00 0.00 H new ATOM 0 HG3 GLN A 355 76.194 -4.074 -27.420 1.00 0.00 H new ATOM 0 HE21 GLN A 355 77.240 -4.143 -24.579 1.00 0.00 H new ATOM 0 HE22 GLN A 355 78.629 -5.226 -24.719 1.00 0.00 H new ATOM 206 N PRO A 356 76.354 0.130 -29.770 1.00 0.00 N ATOM 207 CA PRO A 356 76.620 1.369 -30.519 1.00 0.00 C ATOM 208 C PRO A 356 78.040 1.893 -30.324 1.00 0.00 C ATOM 209 O PRO A 356 78.563 2.621 -31.170 1.00 0.00 O ATOM 210 CB PRO A 356 75.602 2.363 -29.941 1.00 0.00 C ATOM 211 CG PRO A 356 75.262 1.817 -28.598 1.00 0.00 C ATOM 212 CD PRO A 356 75.327 0.328 -28.731 1.00 0.00 C ATOM 0 HA PRO A 356 76.528 1.211 -31.594 1.00 0.00 H new ATOM 0 HB2 PRO A 356 76.025 3.365 -29.866 1.00 0.00 H new ATOM 0 HB3 PRO A 356 74.718 2.437 -30.574 1.00 0.00 H new ATOM 0 HG2 PRO A 356 75.963 2.172 -27.843 1.00 0.00 H new ATOM 0 HG3 PRO A 356 74.268 2.138 -28.286 1.00 0.00 H new ATOM 0 HD2 PRO A 356 75.607 -0.149 -27.792 1.00 0.00 H new ATOM 0 HD3 PRO A 356 74.366 -0.093 -29.028 1.00 0.00 H new ATOM 220 N GLY A 357 78.659 1.519 -29.215 1.00 0.00 N ATOM 221 CA GLY A 357 80.016 1.949 -28.942 1.00 0.00 C ATOM 222 C GLY A 357 81.034 1.072 -29.632 1.00 0.00 C ATOM 223 O GLY A 357 82.242 1.209 -29.417 1.00 0.00 O ATOM 0 H GLY A 357 78.246 0.924 -28.497 1.00 0.00 H new ATOM 0 HA2 GLY A 357 80.143 2.980 -29.271 1.00 0.00 H new ATOM 0 HA3 GLY A 357 80.193 1.933 -27.867 1.00 0.00 H new ATOM 227 N CYS A 358 80.549 0.159 -30.447 1.00 0.00 N ATOM 228 CA CYS A 358 81.402 -0.733 -31.178 1.00 0.00 C ATOM 229 C CYS A 358 81.193 -0.535 -32.674 1.00 0.00 C ATOM 230 O CYS A 358 81.722 0.410 -33.257 1.00 0.00 O ATOM 231 CB CYS A 358 81.117 -2.180 -30.770 1.00 0.00 C ATOM 232 SG CYS A 358 82.315 -3.406 -31.388 1.00 0.00 S ATOM 0 H CYS A 358 79.553 0.020 -30.616 1.00 0.00 H new ATOM 0 HA CYS A 358 82.444 -0.513 -30.945 1.00 0.00 H new ATOM 0 HB2 CYS A 358 81.091 -2.236 -29.682 1.00 0.00 H new ATOM 0 HB3 CYS A 358 80.124 -2.453 -31.127 1.00 0.00 H new ATOM 0 HG CYS A 358 82.059 -4.567 -30.861 1.00 0.00 H new ATOM 237 N GLY A 359 80.398 -1.414 -33.284 1.00 0.00 N ATOM 238 CA GLY A 359 80.134 -1.330 -34.713 1.00 0.00 C ATOM 239 C GLY A 359 81.404 -1.412 -35.538 1.00 0.00 C ATOM 240 O GLY A 359 81.438 -0.974 -36.683 1.00 0.00 O ATOM 0 H GLY A 359 79.930 -2.187 -32.811 1.00 0.00 H new ATOM 0 HA2 GLY A 359 79.461 -2.137 -35.004 1.00 0.00 H new ATOM 0 HA3 GLY A 359 79.621 -0.393 -34.931 1.00 0.00 H new ATOM 244 N MET A 360 82.445 -1.981 -34.949 1.00 0.00 N ATOM 245 CA MET A 360 83.741 -2.088 -35.602 1.00 0.00 C ATOM 246 C MET A 360 83.700 -3.094 -36.736 1.00 0.00 C ATOM 247 O MET A 360 83.982 -2.761 -37.888 1.00 0.00 O ATOM 248 CB MET A 360 84.802 -2.496 -34.592 1.00 0.00 C ATOM 249 CG MET A 360 85.009 -1.497 -33.472 1.00 0.00 C ATOM 250 SD MET A 360 86.231 -2.066 -32.286 1.00 0.00 S ATOM 251 CE MET A 360 85.593 -3.704 -31.945 1.00 0.00 C ATOM 0 H MET A 360 82.416 -2.379 -34.010 1.00 0.00 H new ATOM 0 HA MET A 360 83.991 -1.112 -36.017 1.00 0.00 H new ATOM 0 HB2 MET A 360 84.526 -3.458 -34.160 1.00 0.00 H new ATOM 0 HB3 MET A 360 85.748 -2.641 -35.114 1.00 0.00 H new ATOM 0 HG2 MET A 360 85.327 -0.542 -33.891 1.00 0.00 H new ATOM 0 HG3 MET A 360 84.062 -1.322 -32.962 1.00 0.00 H new ATOM 0 HE1 MET A 360 85.227 -3.746 -30.919 1.00 0.00 H new ATOM 0 HE2 MET A 360 84.776 -3.926 -32.631 1.00 0.00 H new ATOM 0 HE3 MET A 360 86.387 -4.439 -32.077 1.00 0.00 H new ATOM 261 N GLY A 361 83.359 -4.321 -36.404 1.00 0.00 N ATOM 262 CA GLY A 361 83.282 -5.349 -37.404 1.00 0.00 C ATOM 263 C GLY A 361 83.443 -6.724 -36.820 1.00 0.00 C ATOM 264 O GLY A 361 84.413 -6.999 -36.112 1.00 0.00 O ATOM 0 H GLY A 361 83.134 -4.623 -35.456 1.00 0.00 H new ATOM 0 HA2 GLY A 361 82.322 -5.284 -37.916 1.00 0.00 H new ATOM 0 HA3 GLY A 361 84.055 -5.182 -38.154 1.00 0.00 H new ATOM 268 N LEU A 362 82.483 -7.575 -37.097 1.00 0.00 N ATOM 269 CA LEU A 362 82.490 -8.940 -36.622 1.00 0.00 C ATOM 270 C LEU A 362 82.591 -9.894 -37.789 1.00 0.00 C ATOM 271 O LEU A 362 81.799 -9.831 -38.734 1.00 0.00 O ATOM 272 CB LEU A 362 81.227 -9.237 -35.815 1.00 0.00 C ATOM 273 CG LEU A 362 81.259 -8.872 -34.320 1.00 0.00 C ATOM 274 CD1 LEU A 362 82.321 -9.673 -33.596 1.00 0.00 C ATOM 275 CD2 LEU A 362 81.485 -7.380 -34.115 1.00 0.00 C ATOM 0 H LEU A 362 81.668 -7.338 -37.663 1.00 0.00 H new ATOM 0 HA LEU A 362 83.356 -9.074 -35.973 1.00 0.00 H new ATOM 0 HB2 LEU A 362 80.395 -8.705 -36.277 1.00 0.00 H new ATOM 0 HB3 LEU A 362 81.011 -10.302 -35.901 1.00 0.00 H new ATOM 0 HG LEU A 362 80.285 -9.123 -33.899 1.00 0.00 H new ATOM 0 HD11 LEU A 362 82.327 -9.400 -32.541 1.00 0.00 H new ATOM 0 HD12 LEU A 362 82.104 -10.737 -33.694 1.00 0.00 H new ATOM 0 HD13 LEU A 362 83.297 -9.460 -34.031 1.00 0.00 H new ATOM 0 HD21 LEU A 362 81.502 -7.158 -33.048 1.00 0.00 H new ATOM 0 HD22 LEU A 362 82.437 -7.092 -34.561 1.00 0.00 H new ATOM 0 HD23 LEU A 362 80.678 -6.821 -34.589 1.00 0.00 H new ATOM 287 N LEU A 363 83.551 -10.768 -37.718 1.00 0.00 N ATOM 288 CA LEU A 363 83.786 -11.732 -38.773 1.00 0.00 C ATOM 289 C LEU A 363 82.878 -12.938 -38.573 1.00 0.00 C ATOM 290 O LEU A 363 83.103 -13.759 -37.688 1.00 0.00 O ATOM 291 CB LEU A 363 85.272 -12.154 -38.783 1.00 0.00 C ATOM 292 CG LEU A 363 85.836 -12.726 -40.105 1.00 0.00 C ATOM 293 CD1 LEU A 363 85.200 -14.060 -40.461 1.00 0.00 C ATOM 294 CD2 LEU A 363 85.657 -11.728 -41.243 1.00 0.00 C ATOM 0 H LEU A 363 84.197 -10.840 -36.932 1.00 0.00 H new ATOM 0 HA LEU A 363 83.556 -11.280 -39.738 1.00 0.00 H new ATOM 0 HB2 LEU A 363 85.871 -11.286 -38.508 1.00 0.00 H new ATOM 0 HB3 LEU A 363 85.416 -12.902 -38.003 1.00 0.00 H new ATOM 0 HG LEU A 363 86.902 -12.900 -39.956 1.00 0.00 H new ATOM 0 HD11 LEU A 363 85.624 -14.427 -41.396 1.00 0.00 H new ATOM 0 HD12 LEU A 363 85.396 -14.780 -39.666 1.00 0.00 H new ATOM 0 HD13 LEU A 363 84.124 -13.931 -40.576 1.00 0.00 H new ATOM 0 HD21 LEU A 363 86.060 -12.150 -42.164 1.00 0.00 H new ATOM 0 HD22 LEU A 363 84.596 -11.514 -41.376 1.00 0.00 H new ATOM 0 HD23 LEU A 363 86.186 -10.805 -41.004 1.00 0.00 H new ATOM 306 N VAL A 364 81.838 -13.017 -39.379 1.00 0.00 N ATOM 307 CA VAL A 364 80.896 -14.113 -39.297 1.00 0.00 C ATOM 308 C VAL A 364 80.889 -14.899 -40.596 1.00 0.00 C ATOM 309 O VAL A 364 80.349 -14.443 -41.611 1.00 0.00 O ATOM 310 CB VAL A 364 79.460 -13.621 -38.985 1.00 0.00 C ATOM 311 CG1 VAL A 364 78.493 -14.796 -38.887 1.00 0.00 C ATOM 312 CG2 VAL A 364 79.438 -12.808 -37.700 1.00 0.00 C ATOM 0 H VAL A 364 81.624 -12.330 -40.102 1.00 0.00 H new ATOM 0 HA VAL A 364 81.219 -14.755 -38.478 1.00 0.00 H new ATOM 0 HB VAL A 364 79.138 -12.980 -39.805 1.00 0.00 H new ATOM 0 HG11 VAL A 364 77.492 -14.426 -38.667 1.00 0.00 H new ATOM 0 HG12 VAL A 364 78.480 -15.337 -39.833 1.00 0.00 H new ATOM 0 HG13 VAL A 364 78.815 -15.467 -38.090 1.00 0.00 H new ATOM 0 HG21 VAL A 364 78.421 -12.472 -37.499 1.00 0.00 H new ATOM 0 HG22 VAL A 364 79.786 -13.426 -36.872 1.00 0.00 H new ATOM 0 HG23 VAL A 364 80.092 -11.942 -37.806 1.00 0.00 H new ATOM 322 N GLU A 365 81.512 -16.060 -40.567 1.00 0.00 N ATOM 323 CA GLU A 365 81.571 -16.929 -41.725 1.00 0.00 C ATOM 324 C GLU A 365 80.197 -17.564 -41.973 1.00 0.00 C ATOM 325 O GLU A 365 79.447 -17.808 -41.028 1.00 0.00 O ATOM 326 CB GLU A 365 82.646 -17.999 -41.515 1.00 0.00 C ATOM 327 CG GLU A 365 84.033 -17.415 -41.278 1.00 0.00 C ATOM 328 CD GLU A 365 85.071 -18.463 -40.949 1.00 0.00 C ATOM 329 OE1 GLU A 365 85.176 -18.845 -39.774 1.00 0.00 O1- ATOM 330 OE2 GLU A 365 85.790 -18.912 -41.872 1.00 0.00 O ATOM 0 H GLU A 365 81.990 -16.426 -39.744 1.00 0.00 H new ATOM 0 HA GLU A 365 81.838 -16.345 -42.606 1.00 0.00 H new ATOM 0 HB2 GLU A 365 82.370 -18.621 -40.663 1.00 0.00 H new ATOM 0 HB3 GLU A 365 82.677 -18.650 -42.388 1.00 0.00 H new ATOM 0 HG2 GLU A 365 84.347 -16.868 -42.167 1.00 0.00 H new ATOM 0 HG3 GLU A 365 83.982 -16.694 -40.462 1.00 0.00 H new ATOM 337 N PRO A 366 79.857 -17.834 -43.249 1.00 0.00 N ATOM 338 CA PRO A 366 78.542 -18.374 -43.652 1.00 0.00 C ATOM 339 C PRO A 366 78.085 -19.589 -42.834 1.00 0.00 C ATOM 340 O PRO A 366 76.942 -19.642 -42.378 1.00 0.00 O ATOM 341 CB PRO A 366 78.747 -18.773 -45.126 1.00 0.00 C ATOM 342 CG PRO A 366 80.220 -18.675 -45.362 1.00 0.00 C ATOM 343 CD PRO A 366 80.722 -17.636 -44.413 1.00 0.00 C ATOM 0 HA PRO A 366 77.759 -17.634 -43.489 1.00 0.00 H new ATOM 0 HB2 PRO A 366 78.385 -19.784 -45.313 1.00 0.00 H new ATOM 0 HB3 PRO A 366 78.197 -18.109 -45.793 1.00 0.00 H new ATOM 0 HG2 PRO A 366 80.708 -19.633 -45.185 1.00 0.00 H new ATOM 0 HG3 PRO A 366 80.432 -18.396 -46.394 1.00 0.00 H new ATOM 0 HD2 PRO A 366 81.774 -17.783 -44.168 1.00 0.00 H new ATOM 0 HD3 PRO A 366 80.628 -16.631 -44.823 1.00 0.00 H new ATOM 351 N ASP A 367 78.968 -20.552 -42.646 1.00 0.00 N ATOM 352 CA ASP A 367 78.612 -21.762 -41.908 1.00 0.00 C ATOM 353 C ASP A 367 78.922 -21.633 -40.424 1.00 0.00 C ATOM 354 O ASP A 367 78.546 -22.493 -39.631 1.00 0.00 O ATOM 355 CB ASP A 367 79.312 -22.993 -42.489 1.00 0.00 C ATOM 356 CG ASP A 367 80.815 -22.916 -42.386 1.00 0.00 C ATOM 357 OD1 ASP A 367 81.438 -22.272 -43.257 1.00 0.00 O1- ATOM 358 OD2 ASP A 367 81.381 -23.493 -41.437 1.00 0.00 O ATOM 0 H ASP A 367 79.929 -20.527 -42.988 1.00 0.00 H new ATOM 0 HA ASP A 367 77.535 -21.891 -42.016 1.00 0.00 H new ATOM 0 HB2 ASP A 367 78.962 -23.884 -41.967 1.00 0.00 H new ATOM 0 HB3 ASP A 367 79.030 -23.105 -43.536 1.00 0.00 H new ATOM 363 N CYS A 368 79.593 -20.559 -40.042 1.00 0.00 N ATOM 364 CA CYS A 368 79.923 -20.341 -38.646 1.00 0.00 C ATOM 365 C CYS A 368 78.697 -19.855 -37.897 1.00 0.00 C ATOM 366 O CYS A 368 78.034 -18.902 -38.315 1.00 0.00 O ATOM 367 CB CYS A 368 81.069 -19.335 -38.496 1.00 0.00 C ATOM 368 SG CYS A 368 81.581 -19.038 -36.783 1.00 0.00 S ATOM 0 H CYS A 368 79.918 -19.829 -40.676 1.00 0.00 H new ATOM 0 HA CYS A 368 80.253 -21.289 -38.221 1.00 0.00 H new ATOM 0 HB2 CYS A 368 81.928 -19.694 -39.063 1.00 0.00 H new ATOM 0 HB3 CYS A 368 80.766 -18.388 -38.942 1.00 0.00 H new ATOM 0 HG CYS A 368 80.853 -18.090 -36.271 1.00 0.00 H new ATOM 374 N ARG A 369 78.391 -20.511 -36.803 1.00 0.00 N ATOM 375 CA ARG A 369 77.228 -20.164 -36.014 1.00 0.00 C ATOM 376 C ARG A 369 77.632 -19.634 -34.651 1.00 0.00 C ATOM 377 O ARG A 369 76.829 -19.588 -33.725 1.00 0.00 O ATOM 378 CB ARG A 369 76.244 -21.355 -35.883 1.00 0.00 C ATOM 379 CG ARG A 369 76.888 -22.699 -35.544 1.00 0.00 C ATOM 380 CD ARG A 369 77.458 -23.378 -36.789 1.00 0.00 C ATOM 381 NE ARG A 369 78.123 -24.645 -36.481 1.00 0.00 N ATOM 382 CZ ARG A 369 78.766 -25.399 -37.381 1.00 0.00 C ATOM 383 NH1 ARG A 369 78.886 -24.990 -38.639 1.00 0.00 N1+ ATOM 384 NH2 ARG A 369 79.306 -26.554 -37.016 1.00 0.00 N ATOM 0 H ARG A 369 78.933 -21.293 -36.436 1.00 0.00 H new ATOM 0 HA ARG A 369 76.703 -19.369 -36.543 1.00 0.00 H new ATOM 0 HB2 ARG A 369 75.511 -21.117 -35.112 1.00 0.00 H new ATOM 0 HB3 ARG A 369 75.698 -21.459 -36.820 1.00 0.00 H new ATOM 0 HG2 ARG A 369 77.684 -22.548 -34.814 1.00 0.00 H new ATOM 0 HG3 ARG A 369 76.148 -23.351 -35.079 1.00 0.00 H new ATOM 0 HD2 ARG A 369 76.653 -23.558 -37.502 1.00 0.00 H new ATOM 0 HD3 ARG A 369 78.168 -22.707 -37.272 1.00 0.00 H new ATOM 0 HE ARG A 369 78.095 -24.975 -35.516 1.00 0.00 H new ATOM 0 HH11 ARG A 369 78.487 -24.096 -38.925 1.00 0.00 H new ATOM 0 HH12 ARG A 369 79.377 -25.570 -39.319 1.00 0.00 H new ATOM 0 HH21 ARG A 369 79.232 -26.869 -36.049 1.00 0.00 H new ATOM 0 HH22 ARG A 369 79.796 -27.128 -37.703 1.00 0.00 H new ATOM 398 N LYS A 370 78.879 -19.206 -34.542 1.00 0.00 N ATOM 399 CA LYS A 370 79.377 -18.657 -33.302 1.00 0.00 C ATOM 400 C LYS A 370 79.759 -17.203 -33.486 1.00 0.00 C ATOM 401 O LYS A 370 80.304 -16.816 -34.521 1.00 0.00 O ATOM 402 CB LYS A 370 80.576 -19.459 -32.787 1.00 0.00 C ATOM 403 CG LYS A 370 80.766 -19.363 -31.283 1.00 0.00 C ATOM 404 CD LYS A 370 79.686 -20.149 -30.558 1.00 0.00 C ATOM 405 CE LYS A 370 79.612 -19.793 -29.086 1.00 0.00 C ATOM 406 NZ LYS A 370 78.624 -20.641 -28.366 1.00 0.00 N1+ ATOM 0 H LYS A 370 79.561 -19.230 -35.300 1.00 0.00 H new ATOM 0 HA LYS A 370 78.581 -18.722 -32.560 1.00 0.00 H new ATOM 0 HB2 LYS A 370 80.449 -20.506 -33.063 1.00 0.00 H new ATOM 0 HB3 LYS A 370 81.480 -19.106 -33.283 1.00 0.00 H new ATOM 0 HG2 LYS A 370 81.749 -19.747 -31.010 1.00 0.00 H new ATOM 0 HG3 LYS A 370 80.734 -18.319 -30.973 1.00 0.00 H new ATOM 0 HD2 LYS A 370 78.721 -19.955 -31.026 1.00 0.00 H new ATOM 0 HD3 LYS A 370 79.883 -21.216 -30.663 1.00 0.00 H new ATOM 0 HE2 LYS A 370 80.596 -19.914 -28.632 1.00 0.00 H new ATOM 0 HE3 LYS A 370 79.338 -18.743 -28.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 370 78.360 -20.182 -27.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 370 77.776 -20.763 -28.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 370 79.044 -21.571 -28.167 1.00 0.00 H new ATOM 420 N VAL A 371 79.457 -16.407 -32.483 1.00 0.00 N ATOM 421 CA VAL A 371 79.751 -14.990 -32.497 1.00 0.00 C ATOM 422 C VAL A 371 80.326 -14.535 -31.192 1.00 0.00 C ATOM 423 O VAL A 371 79.800 -14.856 -30.123 1.00 0.00 O ATOM 424 CB VAL A 371 78.506 -14.140 -32.766 1.00 0.00 C ATOM 425 CG1 VAL A 371 78.339 -13.877 -34.231 1.00 0.00 C ATOM 426 CG2 VAL A 371 77.271 -14.805 -32.191 1.00 0.00 C ATOM 0 H VAL A 371 78.998 -16.726 -31.630 1.00 0.00 H new ATOM 0 HA VAL A 371 80.472 -14.853 -33.303 1.00 0.00 H new ATOM 0 HB VAL A 371 78.639 -13.179 -32.269 1.00 0.00 H new ATOM 0 HG11 VAL A 371 77.447 -13.271 -34.393 1.00 0.00 H new ATOM 0 HG12 VAL A 371 79.212 -13.344 -34.607 1.00 0.00 H new ATOM 0 HG13 VAL A 371 78.236 -14.824 -34.761 1.00 0.00 H new ATOM 0 HG21 VAL A 371 76.397 -14.186 -32.392 1.00 0.00 H new ATOM 0 HG22 VAL A 371 77.136 -15.783 -32.652 1.00 0.00 H new ATOM 0 HG23 VAL A 371 77.390 -14.925 -31.114 1.00 0.00 H new ATOM 436 N THR A 372 81.414 -13.816 -31.263 1.00 0.00 N ATOM 437 CA THR A 372 81.992 -13.233 -30.089 1.00 0.00 C ATOM 438 C THR A 372 82.789 -11.987 -30.459 1.00 0.00 C ATOM 439 O THR A 372 83.599 -12.019 -31.390 1.00 0.00 O ATOM 440 CB THR A 372 82.911 -14.224 -29.333 1.00 0.00 C ATOM 441 OG1 THR A 372 82.214 -15.455 -29.087 1.00 0.00 O ATOM 442 CG2 THR A 372 83.367 -13.625 -28.006 1.00 0.00 C ATOM 0 H THR A 372 81.918 -13.621 -32.128 1.00 0.00 H new ATOM 0 HA THR A 372 81.169 -12.968 -29.426 1.00 0.00 H new ATOM 0 HB THR A 372 83.786 -14.420 -29.953 1.00 0.00 H new ATOM 0 HG1 THR A 372 81.248 -15.305 -29.162 1.00 0.00 H new ATOM 0 HG21 THR A 372 84.012 -14.335 -27.489 1.00 0.00 H new ATOM 0 HG22 THR A 372 83.919 -12.704 -28.193 1.00 0.00 H new ATOM 0 HG23 THR A 372 82.497 -13.407 -27.387 1.00 0.00 H new ATOM 450 N CYS A 373 82.565 -10.889 -29.740 1.00 0.00 N ATOM 451 CA CYS A 373 83.303 -9.666 -30.002 1.00 0.00 C ATOM 452 C CYS A 373 84.674 -9.745 -29.352 1.00 0.00 C ATOM 453 O CYS A 373 84.920 -9.150 -28.310 1.00 0.00 O ATOM 454 CB CYS A 373 82.542 -8.438 -29.491 1.00 0.00 C ATOM 455 SG CYS A 373 82.960 -6.859 -30.316 1.00 0.00 S ATOM 0 H CYS A 373 81.886 -10.825 -28.982 1.00 0.00 H new ATOM 0 HA CYS A 373 83.420 -9.560 -31.080 1.00 0.00 H new ATOM 0 HB2 CYS A 373 81.473 -8.618 -29.609 1.00 0.00 H new ATOM 0 HB3 CYS A 373 82.732 -8.332 -28.423 1.00 0.00 H new ATOM 0 HG CYS A 373 82.598 -5.865 -29.560 1.00 0.00 H new ATOM 460 N GLN A 374 85.547 -10.525 -29.958 1.00 0.00 N ATOM 461 CA GLN A 374 86.912 -10.669 -29.482 1.00 0.00 C ATOM 462 C GLN A 374 87.744 -9.504 -29.965 1.00 0.00 C ATOM 463 O GLN A 374 88.897 -9.340 -29.585 1.00 0.00 O ATOM 464 CB GLN A 374 87.509 -11.985 -29.975 1.00 0.00 C ATOM 465 CG GLN A 374 86.963 -13.211 -29.269 1.00 0.00 C ATOM 466 CD GLN A 374 87.434 -13.305 -27.832 1.00 0.00 C ATOM 467 OE1 GLN A 374 88.473 -13.900 -27.549 1.00 0.00 O ATOM 468 NE2 GLN A 374 86.681 -12.721 -26.917 1.00 0.00 N ATOM 0 H GLN A 374 85.334 -11.075 -30.790 1.00 0.00 H new ATOM 0 HA GLN A 374 86.910 -10.678 -28.392 1.00 0.00 H new ATOM 0 HB2 GLN A 374 87.321 -12.080 -31.044 1.00 0.00 H new ATOM 0 HB3 GLN A 374 88.591 -11.954 -29.843 1.00 0.00 H new ATOM 0 HG2 GLN A 374 85.874 -13.185 -29.291 1.00 0.00 H new ATOM 0 HG3 GLN A 374 87.271 -14.106 -29.809 1.00 0.00 H new ATOM 0 HE21 GLN A 374 85.826 -12.237 -27.193 1.00 0.00 H new ATOM 0 HE22 GLN A 374 86.954 -12.754 -25.935 1.00 0.00 H new ATOM 477 N ASN A 375 87.139 -8.695 -30.806 1.00 0.00 N ATOM 478 CA ASN A 375 87.791 -7.535 -31.363 1.00 0.00 C ATOM 479 C ASN A 375 87.454 -6.296 -30.535 1.00 0.00 C ATOM 480 O ASN A 375 88.139 -5.276 -30.613 1.00 0.00 O ATOM 481 CB ASN A 375 87.349 -7.349 -32.826 1.00 0.00 C ATOM 482 CG ASN A 375 88.056 -6.205 -33.536 1.00 0.00 C ATOM 483 OD1 ASN A 375 89.197 -5.862 -33.215 1.00 0.00 O ATOM 484 ND2 ASN A 375 87.389 -5.621 -34.516 1.00 0.00 N ATOM 0 H ASN A 375 86.178 -8.825 -31.123 1.00 0.00 H new ATOM 0 HA ASN A 375 88.871 -7.679 -31.338 1.00 0.00 H new ATOM 0 HB2 ASN A 375 87.533 -8.274 -33.373 1.00 0.00 H new ATOM 0 HB3 ASN A 375 86.274 -7.172 -32.852 1.00 0.00 H new ATOM 0 HD21 ASN A 375 87.816 -4.856 -35.039 1.00 0.00 H new ATOM 0 HD22 ASN A 375 86.447 -5.935 -34.750 1.00 0.00 H new ATOM 491 N GLY A 376 86.409 -6.398 -29.723 1.00 0.00 N ATOM 492 CA GLY A 376 85.997 -5.270 -28.921 1.00 0.00 C ATOM 493 C GLY A 376 85.265 -5.675 -27.658 1.00 0.00 C ATOM 494 O GLY A 376 85.828 -6.348 -26.789 1.00 0.00 O ATOM 0 H GLY A 376 85.844 -7.239 -29.608 1.00 0.00 H new ATOM 0 HA2 GLY A 376 86.875 -4.683 -28.652 1.00 0.00 H new ATOM 0 HA3 GLY A 376 85.352 -4.624 -29.517 1.00 0.00 H new ATOM 498 N CYS A 377 84.013 -5.269 -27.566 1.00 0.00 N ATOM 499 CA CYS A 377 83.176 -5.532 -26.406 1.00 0.00 C ATOM 500 C CYS A 377 82.418 -6.844 -26.556 1.00 0.00 C ATOM 501 O CYS A 377 81.416 -6.910 -27.273 1.00 0.00 O ATOM 502 CB CYS A 377 82.205 -4.384 -26.246 1.00 0.00 C ATOM 503 SG CYS A 377 81.624 -3.725 -27.837 1.00 0.00 S ATOM 0 H CYS A 377 83.542 -4.742 -28.301 1.00 0.00 H new ATOM 0 HA CYS A 377 83.808 -5.620 -25.522 1.00 0.00 H new ATOM 0 HB2 CYS A 377 81.348 -4.718 -25.662 1.00 0.00 H new ATOM 0 HB3 CYS A 377 82.684 -3.585 -25.680 1.00 0.00 H new ATOM 0 HG CYS A 377 80.353 -3.964 -27.967 1.00 0.00 H new ATOM 508 N GLY A 378 82.875 -7.865 -25.854 1.00 0.00 N ATOM 509 CA GLY A 378 82.283 -9.178 -25.971 1.00 0.00 C ATOM 510 C GLY A 378 80.901 -9.255 -25.376 1.00 0.00 C ATOM 511 O GLY A 378 80.728 -9.188 -24.157 1.00 0.00 O ATOM 0 H GLY A 378 83.654 -7.807 -25.198 1.00 0.00 H new ATOM 0 HA2 GLY A 378 82.236 -9.457 -27.024 1.00 0.00 H new ATOM 0 HA3 GLY A 378 82.926 -9.906 -25.477 1.00 0.00 H new ATOM 515 N TYR A 379 79.918 -9.388 -26.244 1.00 0.00 N ATOM 516 CA TYR A 379 78.535 -9.510 -25.843 1.00 0.00 C ATOM 517 C TYR A 379 77.924 -10.739 -26.502 1.00 0.00 C ATOM 518 O TYR A 379 78.268 -11.075 -27.633 1.00 0.00 O ATOM 519 CB TYR A 379 77.749 -8.245 -26.231 1.00 0.00 C ATOM 520 CG TYR A 379 76.282 -8.290 -25.851 1.00 0.00 C ATOM 521 CD1 TYR A 379 75.874 -8.046 -24.547 1.00 0.00 C ATOM 522 CD2 TYR A 379 75.306 -8.582 -26.798 1.00 0.00 C ATOM 523 CE1 TYR A 379 74.538 -8.093 -24.196 1.00 0.00 C ATOM 524 CE2 TYR A 379 73.970 -8.629 -26.456 1.00 0.00 C ATOM 525 CZ TYR A 379 73.591 -8.384 -25.154 1.00 0.00 C ATOM 526 OH TYR A 379 72.260 -8.436 -24.808 1.00 0.00 O ATOM 0 H TYR A 379 80.060 -9.414 -27.254 1.00 0.00 H new ATOM 0 HA TYR A 379 78.484 -9.622 -24.760 1.00 0.00 H new ATOM 0 HB2 TYR A 379 78.211 -7.381 -25.753 1.00 0.00 H new ATOM 0 HB3 TYR A 379 77.831 -8.095 -27.308 1.00 0.00 H new ATOM 0 HD1 TYR A 379 76.613 -7.816 -23.794 1.00 0.00 H new ATOM 0 HD2 TYR A 379 75.599 -8.775 -27.819 1.00 0.00 H new ATOM 0 HE1 TYR A 379 74.238 -7.903 -23.176 1.00 0.00 H new ATOM 0 HE2 TYR A 379 73.226 -8.857 -27.205 1.00 0.00 H new ATOM 0 HH TYR A 379 71.724 -8.652 -25.600 1.00 0.00 H new ATOM 536 N VAL A 380 77.040 -11.415 -25.795 1.00 0.00 N ATOM 537 CA VAL A 380 76.399 -12.603 -26.324 1.00 0.00 C ATOM 538 C VAL A 380 75.144 -12.253 -27.132 1.00 0.00 C ATOM 539 O VAL A 380 74.074 -11.977 -26.569 1.00 0.00 O ATOM 540 CB VAL A 380 76.041 -13.609 -25.204 1.00 0.00 C ATOM 541 CG1 VAL A 380 75.366 -14.848 -25.778 1.00 0.00 C ATOM 542 CG2 VAL A 380 77.288 -14.000 -24.424 1.00 0.00 C ATOM 0 H VAL A 380 76.749 -11.161 -24.851 1.00 0.00 H new ATOM 0 HA VAL A 380 77.121 -13.075 -26.991 1.00 0.00 H new ATOM 0 HB VAL A 380 75.340 -13.124 -24.525 1.00 0.00 H new ATOM 0 HG11 VAL A 380 75.125 -15.538 -24.970 1.00 0.00 H new ATOM 0 HG12 VAL A 380 74.450 -14.558 -26.293 1.00 0.00 H new ATOM 0 HG13 VAL A 380 76.039 -15.336 -26.483 1.00 0.00 H new ATOM 0 HG21 VAL A 380 77.020 -14.708 -23.640 1.00 0.00 H new ATOM 0 HG22 VAL A 380 78.009 -14.462 -25.098 1.00 0.00 H new ATOM 0 HG23 VAL A 380 77.730 -13.111 -23.974 1.00 0.00 H new ATOM 552 N PHE A 381 75.298 -12.238 -28.444 1.00 0.00 N ATOM 553 CA PHE A 381 74.201 -11.992 -29.367 1.00 0.00 C ATOM 554 C PHE A 381 74.170 -13.106 -30.390 1.00 0.00 C ATOM 555 O PHE A 381 74.972 -14.027 -30.309 1.00 0.00 O ATOM 556 CB PHE A 381 74.326 -10.609 -30.056 1.00 0.00 C ATOM 557 CG PHE A 381 75.581 -10.408 -30.880 1.00 0.00 C ATOM 558 CD1 PHE A 381 76.831 -10.359 -30.280 1.00 0.00 C ATOM 559 CD2 PHE A 381 75.501 -10.258 -32.255 1.00 0.00 C ATOM 560 CE1 PHE A 381 77.971 -10.170 -31.035 1.00 0.00 C ATOM 561 CE2 PHE A 381 76.636 -10.067 -33.013 1.00 0.00 C ATOM 562 CZ PHE A 381 77.872 -10.024 -32.404 1.00 0.00 C ATOM 0 H PHE A 381 76.194 -12.397 -28.904 1.00 0.00 H new ATOM 0 HA PHE A 381 73.265 -11.977 -28.808 1.00 0.00 H new ATOM 0 HB2 PHE A 381 73.460 -10.463 -30.702 1.00 0.00 H new ATOM 0 HB3 PHE A 381 74.286 -9.835 -29.290 1.00 0.00 H new ATOM 0 HD1 PHE A 381 76.913 -10.470 -29.209 1.00 0.00 H new ATOM 0 HD2 PHE A 381 74.536 -10.291 -32.739 1.00 0.00 H new ATOM 0 HE1 PHE A 381 78.938 -10.136 -30.556 1.00 0.00 H new ATOM 0 HE2 PHE A 381 76.557 -9.951 -34.084 1.00 0.00 H new ATOM 0 HZ PHE A 381 78.762 -9.876 -32.998 1.00 0.00 H new ATOM 572 N CYS A 382 73.246 -13.046 -31.333 1.00 0.00 N ATOM 573 CA CYS A 382 73.159 -14.085 -32.340 1.00 0.00 C ATOM 574 C CYS A 382 74.092 -13.747 -33.492 1.00 0.00 C ATOM 575 O CYS A 382 74.811 -12.770 -33.435 1.00 0.00 O ATOM 576 CB CYS A 382 71.717 -14.251 -32.829 1.00 0.00 C ATOM 577 SG CYS A 382 71.388 -15.834 -33.667 1.00 0.00 S ATOM 0 H CYS A 382 72.556 -12.300 -31.421 1.00 0.00 H new ATOM 0 HA CYS A 382 73.465 -15.035 -31.903 1.00 0.00 H new ATOM 0 HB2 CYS A 382 71.044 -14.157 -31.977 1.00 0.00 H new ATOM 0 HB3 CYS A 382 71.481 -13.435 -33.513 1.00 0.00 H new ATOM 0 HG CYS A 382 71.110 -15.613 -34.918 1.00 0.00 H new ATOM 582 N ARG A 383 74.080 -14.544 -34.524 1.00 0.00 N ATOM 583 CA ARG A 383 74.988 -14.306 -35.633 1.00 0.00 C ATOM 584 C ARG A 383 74.326 -13.481 -36.728 1.00 0.00 C ATOM 585 O ARG A 383 74.968 -12.662 -37.378 1.00 0.00 O ATOM 586 CB ARG A 383 75.502 -15.630 -36.213 1.00 0.00 C ATOM 587 CG ARG A 383 74.456 -16.409 -36.994 1.00 0.00 C ATOM 588 CD ARG A 383 75.062 -17.604 -37.687 1.00 0.00 C ATOM 589 NE ARG A 383 74.167 -18.154 -38.704 1.00 0.00 N ATOM 590 CZ ARG A 383 74.580 -18.784 -39.807 1.00 0.00 C ATOM 591 NH1 ARG A 383 75.875 -18.985 -40.017 1.00 0.00 N1+ ATOM 592 NH2 ARG A 383 73.694 -19.216 -40.697 1.00 0.00 N ATOM 0 H ARG A 383 73.467 -15.352 -34.629 1.00 0.00 H new ATOM 0 HA ARG A 383 75.834 -13.740 -35.243 1.00 0.00 H new ATOM 0 HB2 ARG A 383 76.350 -15.424 -36.866 1.00 0.00 H new ATOM 0 HB3 ARG A 383 75.871 -16.253 -35.398 1.00 0.00 H new ATOM 0 HG2 ARG A 383 73.667 -16.740 -36.318 1.00 0.00 H new ATOM 0 HG3 ARG A 383 73.990 -15.756 -37.732 1.00 0.00 H new ATOM 0 HD2 ARG A 383 76.005 -17.315 -38.151 1.00 0.00 H new ATOM 0 HD3 ARG A 383 75.291 -18.374 -36.950 1.00 0.00 H new ATOM 0 HE ARG A 383 73.162 -18.050 -38.562 1.00 0.00 H new ATOM 0 HH11 ARG A 383 76.559 -18.658 -39.335 1.00 0.00 H new ATOM 0 HH12 ARG A 383 76.186 -19.467 -40.861 1.00 0.00 H new ATOM 0 HH21 ARG A 383 72.698 -19.067 -40.538 1.00 0.00 H new ATOM 0 HH22 ARG A 383 74.010 -19.697 -41.539 1.00 0.00 H new ATOM 606 N ASN A 384 73.053 -13.714 -36.936 1.00 0.00 N ATOM 607 CA ASN A 384 72.313 -13.053 -37.979 1.00 0.00 C ATOM 608 C ASN A 384 71.418 -11.983 -37.404 1.00 0.00 C ATOM 609 O ASN A 384 71.105 -10.986 -38.065 1.00 0.00 O ATOM 610 CB ASN A 384 71.487 -14.079 -38.760 1.00 0.00 C ATOM 611 CG ASN A 384 70.519 -14.871 -37.886 1.00 0.00 C ATOM 612 OD1 ASN A 384 70.743 -15.062 -36.682 1.00 0.00 O ATOM 613 ND2 ASN A 384 69.450 -15.349 -38.480 1.00 0.00 N ATOM 0 H ASN A 384 72.501 -14.370 -36.384 1.00 0.00 H new ATOM 0 HA ASN A 384 73.018 -12.574 -38.658 1.00 0.00 H new ATOM 0 HB2 ASN A 384 70.924 -13.564 -39.538 1.00 0.00 H new ATOM 0 HB3 ASN A 384 72.162 -14.772 -39.261 1.00 0.00 H new ATOM 0 HD21 ASN A 384 68.773 -15.896 -37.949 1.00 0.00 H new ATOM 0 HD22 ASN A 384 69.297 -15.173 -39.473 1.00 0.00 H new ATOM 620 N CYS A 385 71.010 -12.187 -36.175 1.00 0.00 N ATOM 621 CA CYS A 385 70.119 -11.279 -35.509 1.00 0.00 C ATOM 622 C CYS A 385 70.648 -10.921 -34.134 1.00 0.00 C ATOM 623 O CYS A 385 71.746 -11.309 -33.756 1.00 0.00 O ATOM 624 CB CYS A 385 68.737 -11.916 -35.401 1.00 0.00 C ATOM 625 SG CYS A 385 68.731 -13.511 -34.577 1.00 0.00 S ATOM 0 H CYS A 385 71.289 -12.990 -35.611 1.00 0.00 H new ATOM 0 HA CYS A 385 70.047 -10.359 -36.090 1.00 0.00 H new ATOM 0 HB2 CYS A 385 68.076 -11.237 -34.861 1.00 0.00 H new ATOM 0 HB3 CYS A 385 68.323 -12.034 -36.403 1.00 0.00 H new ATOM 0 HG CYS A 385 68.665 -14.458 -35.465 1.00 0.00 H new ATOM 630 N LEU A 386 69.859 -10.193 -33.394 1.00 0.00 N ATOM 631 CA LEU A 386 70.231 -9.760 -32.069 1.00 0.00 C ATOM 632 C LEU A 386 69.345 -10.421 -31.025 1.00 0.00 C ATOM 633 O LEU A 386 69.057 -9.837 -29.981 1.00 0.00 O ATOM 634 CB LEU A 386 70.112 -8.242 -31.972 1.00 0.00 C ATOM 635 CG LEU A 386 71.356 -7.426 -32.364 1.00 0.00 C ATOM 636 CD1 LEU A 386 71.757 -7.675 -33.813 1.00 0.00 C ATOM 637 CD2 LEU A 386 71.108 -5.944 -32.128 1.00 0.00 C ATOM 0 H LEU A 386 68.935 -9.880 -33.691 1.00 0.00 H new ATOM 0 HA LEU A 386 71.264 -10.052 -31.880 1.00 0.00 H new ATOM 0 HB2 LEU A 386 69.283 -7.924 -32.605 1.00 0.00 H new ATOM 0 HB3 LEU A 386 69.846 -7.986 -30.946 1.00 0.00 H new ATOM 0 HG LEU A 386 72.182 -7.753 -31.733 1.00 0.00 H new ATOM 0 HD11 LEU A 386 72.639 -7.082 -34.053 1.00 0.00 H new ATOM 0 HD12 LEU A 386 71.982 -8.732 -33.952 1.00 0.00 H new ATOM 0 HD13 LEU A 386 70.937 -7.389 -34.472 1.00 0.00 H new ATOM 0 HD21 LEU A 386 71.996 -5.377 -32.409 1.00 0.00 H new ATOM 0 HD22 LEU A 386 70.262 -5.616 -32.732 1.00 0.00 H new ATOM 0 HD23 LEU A 386 70.889 -5.775 -31.074 1.00 0.00 H new ATOM 649 N GLN A 387 68.939 -11.655 -31.292 1.00 0.00 N ATOM 650 CA GLN A 387 68.058 -12.388 -30.379 1.00 0.00 C ATOM 651 C GLN A 387 68.835 -13.021 -29.211 1.00 0.00 C ATOM 652 O GLN A 387 68.354 -13.947 -28.558 1.00 0.00 O ATOM 653 CB GLN A 387 67.265 -13.452 -31.136 1.00 0.00 C ATOM 654 CG GLN A 387 66.420 -12.899 -32.278 1.00 0.00 C ATOM 655 CD GLN A 387 65.430 -11.845 -31.826 1.00 0.00 C ATOM 656 OE1 GLN A 387 65.736 -10.648 -31.807 1.00 0.00 O ATOM 657 NE2 GLN A 387 64.238 -12.274 -31.468 1.00 0.00 N ATOM 0 H GLN A 387 69.202 -12.173 -32.130 1.00 0.00 H new ATOM 0 HA GLN A 387 67.361 -11.667 -29.952 1.00 0.00 H new ATOM 0 HB2 GLN A 387 67.959 -14.192 -31.536 1.00 0.00 H new ATOM 0 HB3 GLN A 387 66.613 -13.973 -30.434 1.00 0.00 H new ATOM 0 HG2 GLN A 387 67.077 -12.471 -33.035 1.00 0.00 H new ATOM 0 HG3 GLN A 387 65.879 -13.718 -32.752 1.00 0.00 H new ATOM 0 HE21 GLN A 387 64.025 -13.271 -31.498 1.00 0.00 H new ATOM 0 HE22 GLN A 387 63.528 -11.609 -31.161 1.00 0.00 H new ATOM 666 N GLY A 388 70.040 -12.517 -28.965 1.00 0.00 N ATOM 667 CA GLY A 388 70.832 -12.966 -27.829 1.00 0.00 C ATOM 668 C GLY A 388 71.392 -14.371 -27.972 1.00 0.00 C ATOM 669 O GLY A 388 71.555 -15.066 -26.974 1.00 0.00 O ATOM 0 H GLY A 388 70.487 -11.800 -29.536 1.00 0.00 H new ATOM 0 HA2 GLY A 388 71.659 -12.272 -27.681 1.00 0.00 H new ATOM 0 HA3 GLY A 388 70.215 -12.923 -26.932 1.00 0.00 H new ATOM 673 N TYR A 389 71.689 -14.778 -29.209 1.00 0.00 N ATOM 674 CA TYR A 389 72.273 -16.104 -29.503 1.00 0.00 C ATOM 675 C TYR A 389 71.278 -17.231 -29.210 1.00 0.00 C ATOM 676 O TYR A 389 70.964 -17.520 -28.056 1.00 0.00 O ATOM 677 CB TYR A 389 73.576 -16.316 -28.711 1.00 0.00 C ATOM 678 CG TYR A 389 74.398 -17.492 -29.177 1.00 0.00 C ATOM 679 CD1 TYR A 389 74.119 -18.776 -28.741 1.00 0.00 C ATOM 680 CD2 TYR A 389 75.454 -17.314 -30.059 1.00 0.00 C ATOM 681 CE1 TYR A 389 74.866 -19.849 -29.168 1.00 0.00 C ATOM 682 CE2 TYR A 389 76.206 -18.384 -30.491 1.00 0.00 C ATOM 683 CZ TYR A 389 75.906 -19.649 -30.040 1.00 0.00 C ATOM 684 OH TYR A 389 76.653 -20.721 -30.464 1.00 0.00 O ATOM 0 H TYR A 389 71.535 -14.204 -30.038 1.00 0.00 H new ATOM 0 HA TYR A 389 72.506 -16.132 -30.567 1.00 0.00 H new ATOM 0 HB2 TYR A 389 74.182 -15.413 -28.781 1.00 0.00 H new ATOM 0 HB3 TYR A 389 73.330 -16.453 -27.658 1.00 0.00 H new ATOM 0 HD1 TYR A 389 73.301 -18.938 -28.054 1.00 0.00 H new ATOM 0 HD2 TYR A 389 75.690 -16.321 -30.412 1.00 0.00 H new ATOM 0 HE1 TYR A 389 74.635 -20.844 -28.818 1.00 0.00 H new ATOM 0 HE2 TYR A 389 77.025 -18.231 -31.178 1.00 0.00 H new ATOM 0 HH TYR A 389 76.791 -20.661 -31.432 1.00 0.00 H new ATOM 694 N HIS A 390 70.798 -17.877 -30.257 1.00 0.00 N ATOM 695 CA HIS A 390 69.810 -18.938 -30.096 1.00 0.00 C ATOM 696 C HIS A 390 69.972 -20.041 -31.145 1.00 0.00 C ATOM 697 O HIS A 390 70.088 -21.217 -30.801 1.00 0.00 O ATOM 698 CB HIS A 390 68.375 -18.358 -30.116 1.00 0.00 C ATOM 699 CG HIS A 390 68.048 -17.537 -31.336 1.00 0.00 C ATOM 700 ND1 HIS A 390 66.925 -17.720 -32.104 1.00 0.00 N ATOM 701 CD2 HIS A 390 68.729 -16.513 -31.909 1.00 0.00 C ATOM 702 CE1 HIS A 390 66.958 -16.828 -33.100 1.00 0.00 C ATOM 703 NE2 HIS A 390 68.038 -16.069 -33.024 1.00 0.00 N ATOM 0 H HIS A 390 71.071 -17.691 -31.222 1.00 0.00 H new ATOM 0 HA HIS A 390 69.983 -19.397 -29.123 1.00 0.00 H new ATOM 0 HB2 HIS A 390 67.664 -19.181 -30.046 1.00 0.00 H new ATOM 0 HB3 HIS A 390 68.235 -17.739 -29.230 1.00 0.00 H new ATOM 0 HD2 HIS A 390 69.664 -16.107 -31.551 1.00 0.00 H new ATOM 0 HE1 HIS A 390 66.202 -16.739 -33.866 1.00 0.00 H new ATOM 0 HE2 HIS A 390 68.306 -15.314 -33.655 1.00 0.00 H new ATOM 711 N ILE A 391 69.988 -19.665 -32.411 1.00 0.00 N ATOM 712 CA ILE A 391 70.111 -20.626 -33.492 1.00 0.00 C ATOM 713 C ILE A 391 70.850 -19.993 -34.669 1.00 0.00 C ATOM 714 O ILE A 391 70.883 -18.770 -34.797 1.00 0.00 O ATOM 715 CB ILE A 391 68.711 -21.140 -33.945 1.00 0.00 C ATOM 716 CG1 ILE A 391 68.847 -22.293 -34.946 1.00 0.00 C ATOM 717 CG2 ILE A 391 67.879 -20.009 -34.538 1.00 0.00 C ATOM 718 CD1 ILE A 391 67.528 -22.910 -35.341 1.00 0.00 C ATOM 0 H ILE A 391 69.917 -18.695 -32.717 1.00 0.00 H new ATOM 0 HA ILE A 391 70.682 -21.481 -33.130 1.00 0.00 H new ATOM 0 HB ILE A 391 68.193 -21.515 -33.062 1.00 0.00 H new ATOM 0 HG12 ILE A 391 69.350 -21.928 -35.841 1.00 0.00 H new ATOM 0 HG13 ILE A 391 69.484 -23.065 -34.514 1.00 0.00 H new ATOM 0 HG21 ILE A 391 66.907 -20.395 -34.846 1.00 0.00 H new ATOM 0 HG22 ILE A 391 67.739 -19.229 -33.789 1.00 0.00 H new ATOM 0 HG23 ILE A 391 68.395 -19.593 -35.403 1.00 0.00 H new ATOM 0 HD11 ILE A 391 67.703 -23.718 -36.051 1.00 0.00 H new ATOM 0 HD12 ILE A 391 67.032 -23.306 -34.455 1.00 0.00 H new ATOM 0 HD13 ILE A 391 66.895 -22.152 -35.803 1.00 0.00 H new ATOM 730 N GLY A 392 71.456 -20.822 -35.505 1.00 0.00 N ATOM 731 CA GLY A 392 72.186 -20.326 -36.648 1.00 0.00 C ATOM 732 C GLY A 392 71.279 -19.731 -37.706 1.00 0.00 C ATOM 733 O GLY A 392 71.537 -18.637 -38.205 1.00 0.00 O ATOM 0 H GLY A 392 71.454 -21.837 -35.409 1.00 0.00 H new ATOM 0 HA2 GLY A 392 72.899 -19.570 -36.319 1.00 0.00 H new ATOM 0 HA3 GLY A 392 72.764 -21.140 -37.086 1.00 0.00 H new ATOM 737 N GLU A 393 70.222 -20.448 -38.053 1.00 0.00 N ATOM 738 CA GLU A 393 69.290 -19.979 -39.064 1.00 0.00 C ATOM 739 C GLU A 393 67.970 -19.566 -38.449 1.00 0.00 C ATOM 740 O GLU A 393 67.190 -20.407 -37.982 1.00 0.00 O ATOM 741 CB GLU A 393 69.069 -21.035 -40.133 1.00 0.00 C ATOM 742 CG GLU A 393 70.306 -21.323 -40.953 1.00 0.00 C ATOM 743 CD GLU A 393 70.080 -22.403 -41.981 1.00 0.00 C ATOM 744 OE1 GLU A 393 70.145 -23.593 -41.620 1.00 0.00 O1- ATOM 745 OE2 GLU A 393 69.834 -22.067 -43.158 1.00 0.00 O ATOM 0 H GLU A 393 69.989 -21.355 -37.650 1.00 0.00 H new ATOM 0 HA GLU A 393 69.733 -19.101 -39.533 1.00 0.00 H new ATOM 0 HB2 GLU A 393 68.733 -21.957 -39.659 1.00 0.00 H new ATOM 0 HB3 GLU A 393 68.269 -20.708 -40.797 1.00 0.00 H new ATOM 0 HG2 GLU A 393 70.626 -20.410 -41.455 1.00 0.00 H new ATOM 0 HG3 GLU A 393 71.117 -21.622 -40.289 1.00 0.00 H new ATOM 752 N CYS A 394 67.722 -18.277 -38.464 1.00 0.00 N ATOM 753 CA CYS A 394 66.508 -17.716 -37.895 1.00 0.00 C ATOM 754 C CYS A 394 65.555 -17.313 -38.990 1.00 0.00 C ATOM 755 O CYS A 394 65.962 -16.714 -39.990 1.00 0.00 O ATOM 756 CB CYS A 394 66.855 -16.521 -37.038 1.00 0.00 C ATOM 757 SG CYS A 394 68.332 -16.800 -36.033 1.00 0.00 S ATOM 0 H CYS A 394 68.352 -17.585 -38.869 1.00 0.00 H new ATOM 0 HA CYS A 394 66.023 -18.471 -37.276 1.00 0.00 H new ATOM 0 HB2 CYS A 394 67.012 -15.652 -37.677 1.00 0.00 H new ATOM 0 HB3 CYS A 394 66.013 -16.288 -36.386 1.00 0.00 H new ATOM 0 HG CYS A 394 68.208 -16.178 -34.898 1.00 0.00 H new ATOM 1275 N VAL A 431 -56.389 -28.415 -43.610 1.00 0.00 N ATOM 1276 CA VAL A 431 -57.425 -27.553 -43.065 1.00 0.00 C ATOM 1277 C VAL A 431 -58.769 -28.294 -42.964 1.00 0.00 C ATOM 1278 O VAL A 431 -59.256 -28.860 -43.942 1.00 0.00 O ATOM 1279 CB VAL A 431 -57.587 -26.249 -43.908 1.00 0.00 C ATOM 1280 CG1 VAL A 431 -57.822 -26.566 -45.379 1.00 0.00 C ATOM 1281 CG2 VAL A 431 -58.713 -25.382 -43.361 1.00 0.00 C ATOM 0 HA VAL A 431 -57.112 -27.270 -42.060 1.00 0.00 H new ATOM 0 HB VAL A 431 -56.655 -25.690 -43.829 1.00 0.00 H new ATOM 0 HG11 VAL A 431 -57.931 -25.637 -45.939 1.00 0.00 H new ATOM 0 HG12 VAL A 431 -56.974 -27.128 -45.770 1.00 0.00 H new ATOM 0 HG13 VAL A 431 -58.730 -27.160 -45.483 1.00 0.00 H new ATOM 0 HG21 VAL A 431 -58.805 -24.480 -43.966 1.00 0.00 H new ATOM 0 HG22 VAL A 431 -59.650 -25.938 -43.395 1.00 0.00 H new ATOM 0 HG23 VAL A 431 -58.492 -25.106 -42.330 1.00 0.00 H new ATOM 1291 N SER A 432 -59.341 -28.313 -41.770 1.00 0.00 N ATOM 1292 CA SER A 432 -60.632 -28.959 -41.551 1.00 0.00 C ATOM 1293 C SER A 432 -61.631 -27.986 -40.925 1.00 0.00 C ATOM 1294 O SER A 432 -62.772 -28.350 -40.624 1.00 0.00 O ATOM 1295 CB SER A 432 -60.464 -30.187 -40.660 1.00 0.00 C ATOM 1296 OG SER A 432 -59.560 -31.113 -41.239 1.00 0.00 O ATOM 0 H SER A 432 -58.934 -27.889 -40.936 1.00 0.00 H new ATOM 0 HA SER A 432 -61.023 -29.274 -42.519 1.00 0.00 H new ATOM 0 HB2 SER A 432 -60.100 -29.882 -39.679 1.00 0.00 H new ATOM 0 HB3 SER A 432 -61.432 -30.665 -40.506 1.00 0.00 H new ATOM 0 HG SER A 432 -59.467 -31.891 -40.650 1.00 0.00 H new ATOM 1302 N THR A 433 -61.200 -26.753 -40.740 1.00 0.00 N ATOM 1303 CA THR A 433 -62.042 -25.734 -40.160 1.00 0.00 C ATOM 1304 C THR A 433 -62.992 -25.158 -41.191 1.00 0.00 C ATOM 1305 O THR A 433 -62.639 -25.013 -42.362 1.00 0.00 O ATOM 1306 CB THR A 433 -61.193 -24.602 -39.573 1.00 0.00 C ATOM 1307 OG1 THR A 433 -60.064 -24.350 -40.424 1.00 0.00 O ATOM 1308 CG2 THR A 433 -60.723 -24.950 -38.175 1.00 0.00 C ATOM 0 H THR A 433 -60.263 -26.435 -40.987 1.00 0.00 H new ATOM 0 HA THR A 433 -62.622 -26.203 -39.366 1.00 0.00 H new ATOM 0 HB THR A 433 -61.807 -23.704 -39.513 1.00 0.00 H new ATOM 0 HG1 THR A 433 -59.525 -23.624 -40.046 1.00 0.00 H new ATOM 0 HG21 THR A 433 -60.122 -24.131 -37.779 1.00 0.00 H new ATOM 0 HG22 THR A 433 -61.587 -25.111 -37.530 1.00 0.00 H new ATOM 0 HG23 THR A 433 -60.121 -25.858 -38.209 1.00 0.00 H new ATOM 1316 N LYS A 434 -64.191 -24.845 -40.764 1.00 0.00 N ATOM 1317 CA LYS A 434 -65.170 -24.239 -41.634 1.00 0.00 C ATOM 1318 C LYS A 434 -65.304 -22.764 -41.277 1.00 0.00 C ATOM 1319 O LYS A 434 -65.406 -22.418 -40.102 1.00 0.00 O ATOM 1320 CB LYS A 434 -66.525 -24.944 -41.490 1.00 0.00 C ATOM 1321 CG LYS A 434 -66.516 -26.451 -41.797 1.00 0.00 C ATOM 1322 CD LYS A 434 -66.288 -26.754 -43.284 1.00 0.00 C ATOM 1323 CE LYS A 434 -64.810 -26.908 -43.625 1.00 0.00 C ATOM 1324 NZ LYS A 434 -64.602 -27.192 -45.066 1.00 0.00 N1+ ATOM 0 H LYS A 434 -64.515 -25.002 -39.810 1.00 0.00 H new ATOM 0 HA LYS A 434 -64.844 -24.338 -42.670 1.00 0.00 H new ATOM 0 HB2 LYS A 434 -66.885 -24.799 -40.471 1.00 0.00 H new ATOM 0 HB3 LYS A 434 -67.241 -24.459 -42.153 1.00 0.00 H new ATOM 0 HG2 LYS A 434 -65.734 -26.932 -41.209 1.00 0.00 H new ATOM 0 HG3 LYS A 434 -67.465 -26.887 -41.484 1.00 0.00 H new ATOM 0 HD2 LYS A 434 -66.817 -27.669 -43.551 1.00 0.00 H new ATOM 0 HD3 LYS A 434 -66.715 -25.952 -43.885 1.00 0.00 H new ATOM 0 HE2 LYS A 434 -64.278 -25.996 -43.354 1.00 0.00 H new ATOM 0 HE3 LYS A 434 -64.382 -27.715 -43.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 -63.584 -27.290 -45.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 -65.088 -28.076 -45.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 -64.987 -26.410 -45.633 1.00 0.00 H new ATOM 1338 N PRO A 435 -65.263 -21.876 -42.275 1.00 0.00 N ATOM 1339 CA PRO A 435 -65.374 -20.435 -42.044 1.00 0.00 C ATOM 1340 C PRO A 435 -66.778 -20.021 -41.601 1.00 0.00 C ATOM 1341 O PRO A 435 -67.774 -20.350 -42.255 1.00 0.00 O ATOM 1342 CB PRO A 435 -65.041 -19.824 -43.405 1.00 0.00 C ATOM 1343 CG PRO A 435 -65.364 -20.892 -44.394 1.00 0.00 C ATOM 1344 CD PRO A 435 -65.100 -22.200 -43.703 1.00 0.00 C ATOM 0 HA PRO A 435 -64.714 -20.103 -41.242 1.00 0.00 H new ATOM 0 HB2 PRO A 435 -65.629 -18.925 -43.589 1.00 0.00 H new ATOM 0 HB3 PRO A 435 -63.991 -19.536 -43.463 1.00 0.00 H new ATOM 0 HG2 PRO A 435 -66.404 -20.824 -44.714 1.00 0.00 H new ATOM 0 HG3 PRO A 435 -64.748 -20.793 -45.288 1.00 0.00 H new ATOM 0 HD2 PRO A 435 -65.802 -22.971 -44.022 1.00 0.00 H new ATOM 0 HD3 PRO A 435 -64.098 -22.572 -43.918 1.00 0.00 H new ATOM 1352 N CYS A 436 -66.846 -19.309 -40.485 1.00 0.00 N ATOM 1353 CA CYS A 436 -68.111 -18.833 -39.947 1.00 0.00 C ATOM 1354 C CYS A 436 -68.795 -17.857 -40.904 1.00 0.00 C ATOM 1355 O CYS A 436 -68.146 -16.971 -41.472 1.00 0.00 O ATOM 1356 CB CYS A 436 -67.888 -18.158 -38.594 1.00 0.00 C ATOM 1357 SG CYS A 436 -69.375 -17.369 -37.895 1.00 0.00 S ATOM 0 H CYS A 436 -66.031 -19.047 -39.931 1.00 0.00 H new ATOM 0 HA CYS A 436 -68.763 -19.697 -39.820 1.00 0.00 H new ATOM 0 HB2 CYS A 436 -67.519 -18.901 -37.887 1.00 0.00 H new ATOM 0 HB3 CYS A 436 -67.108 -17.405 -38.701 1.00 0.00 H new ATOM 0 HG CYS A 436 -69.031 -16.583 -36.919 1.00 0.00 H new ATOM 1362 N PRO A 437 -70.114 -17.997 -41.095 1.00 0.00 N ATOM 1363 CA PRO A 437 -70.884 -17.089 -41.937 1.00 0.00 C ATOM 1364 C PRO A 437 -71.010 -15.701 -41.302 1.00 0.00 C ATOM 1365 O PRO A 437 -71.337 -14.722 -41.978 1.00 0.00 O ATOM 1366 CB PRO A 437 -72.273 -17.750 -42.032 1.00 0.00 C ATOM 1367 CG PRO A 437 -72.106 -19.124 -41.469 1.00 0.00 C ATOM 1368 CD PRO A 437 -70.953 -19.056 -40.520 1.00 0.00 C ATOM 0 HA PRO A 437 -70.409 -16.938 -42.906 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -73.015 -17.184 -41.469 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -72.618 -17.789 -43.065 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -73.012 -19.446 -40.956 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -71.914 -19.847 -42.261 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -71.277 -18.810 -39.509 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -70.421 -20.006 -40.462 1.00 0.00 H new ATOM 1376 N LYS A 438 -70.742 -15.619 -40.004 1.00 0.00 N ATOM 1377 CA LYS A 438 -70.854 -14.369 -39.292 1.00 0.00 C ATOM 1378 C LYS A 438 -69.505 -13.658 -39.159 1.00 0.00 C ATOM 1379 O LYS A 438 -69.347 -12.538 -39.641 1.00 0.00 O ATOM 1380 CB LYS A 438 -71.468 -14.588 -37.912 1.00 0.00 C ATOM 1381 CG LYS A 438 -71.741 -13.305 -37.120 1.00 0.00 C ATOM 1382 CD LYS A 438 -72.894 -12.498 -37.715 1.00 0.00 C ATOM 1383 CE LYS A 438 -72.434 -11.499 -38.781 1.00 0.00 C ATOM 1384 NZ LYS A 438 -71.418 -10.542 -38.268 1.00 0.00 N1+ ATOM 0 H LYS A 438 -70.446 -16.409 -39.430 1.00 0.00 H new ATOM 0 HA LYS A 438 -71.510 -13.726 -39.879 1.00 0.00 H new ATOM 0 HB2 LYS A 438 -72.405 -15.133 -38.029 1.00 0.00 H new ATOM 0 HB3 LYS A 438 -70.801 -15.223 -37.329 1.00 0.00 H new ATOM 0 HG2 LYS A 438 -71.973 -13.560 -36.086 1.00 0.00 H new ATOM 0 HG3 LYS A 438 -70.840 -12.691 -37.103 1.00 0.00 H new ATOM 0 HD2 LYS A 438 -73.621 -13.182 -38.154 1.00 0.00 H new ATOM 0 HD3 LYS A 438 -73.405 -11.960 -36.916 1.00 0.00 H new ATOM 0 HE2 LYS A 438 -72.019 -12.044 -39.629 1.00 0.00 H new ATOM 0 HE3 LYS A 438 -73.297 -10.944 -39.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 -71.590 -9.601 -38.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 -71.485 -10.487 -37.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 -70.468 -10.868 -38.536 1.00 0.00 H new ATOM 1398 N CYS A 439 -68.535 -14.300 -38.509 1.00 0.00 N ATOM 1399 CA CYS A 439 -67.247 -13.654 -38.266 1.00 0.00 C ATOM 1400 C CYS A 439 -66.108 -14.210 -39.122 1.00 0.00 C ATOM 1401 O CYS A 439 -64.981 -13.705 -39.051 1.00 0.00 O ATOM 1402 CB CYS A 439 -66.891 -13.697 -36.786 1.00 0.00 C ATOM 1403 SG CYS A 439 -66.994 -15.335 -36.030 1.00 0.00 S ATOM 0 H CYS A 439 -68.614 -15.250 -38.147 1.00 0.00 H new ATOM 0 HA CYS A 439 -67.368 -12.615 -38.572 1.00 0.00 H new ATOM 0 HB2 CYS A 439 -65.877 -13.317 -36.659 1.00 0.00 H new ATOM 0 HB3 CYS A 439 -67.555 -13.021 -36.247 1.00 0.00 H new ATOM 0 HG CYS A 439 -68.183 -15.511 -35.536 1.00 0.00 H new ATOM 1408 N ARG A 440 -66.397 -15.241 -39.920 1.00 0.00 N ATOM 1409 CA ARG A 440 -65.420 -15.830 -40.842 1.00 0.00 C ATOM 1410 C ARG A 440 -64.282 -16.553 -40.090 1.00 0.00 C ATOM 1411 O ARG A 440 -63.206 -16.800 -40.644 1.00 0.00 O ATOM 1412 CB ARG A 440 -64.863 -14.739 -41.770 1.00 0.00 C ATOM 1413 CG ARG A 440 -63.998 -15.251 -42.904 1.00 0.00 C ATOM 1414 CD ARG A 440 -64.765 -16.184 -43.824 1.00 0.00 C ATOM 1415 NE ARG A 440 -65.972 -15.559 -44.353 1.00 0.00 N ATOM 1416 CZ ARG A 440 -66.120 -15.143 -45.609 1.00 0.00 C ATOM 1417 NH1 ARG A 440 -65.143 -15.306 -46.490 1.00 0.00 N1+ ATOM 1418 NH2 ARG A 440 -67.256 -14.574 -45.983 1.00 0.00 N ATOM 0 H ARG A 440 -67.312 -15.691 -39.946 1.00 0.00 H new ATOM 0 HA ARG A 440 -65.929 -16.584 -41.442 1.00 0.00 H new ATOM 0 HB2 ARG A 440 -65.698 -14.180 -42.192 1.00 0.00 H new ATOM 0 HB3 ARG A 440 -64.279 -14.038 -41.174 1.00 0.00 H new ATOM 0 HG2 ARG A 440 -63.616 -14.407 -43.479 1.00 0.00 H new ATOM 0 HG3 ARG A 440 -63.134 -15.774 -42.494 1.00 0.00 H new ATOM 0 HD2 ARG A 440 -64.122 -16.488 -44.650 1.00 0.00 H new ATOM 0 HD3 ARG A 440 -65.034 -17.089 -43.280 1.00 0.00 H new ATOM 0 HE ARG A 440 -66.758 -15.432 -43.716 1.00 0.00 H new ATOM 0 HH11 ARG A 440 -64.271 -15.753 -46.207 1.00 0.00 H new ATOM 0 HH12 ARG A 440 -65.264 -14.985 -47.451 1.00 0.00 H new ATOM 0 HH21 ARG A 440 -68.013 -14.456 -45.310 1.00 0.00 H new ATOM 0 HH22 ARG A 440 -67.374 -14.254 -46.944 1.00 0.00 H new ATOM 1432 N THR A 441 -64.532 -16.919 -38.859 1.00 0.00 N ATOM 1433 CA THR A 441 -63.531 -17.593 -38.059 1.00 0.00 C ATOM 1434 C THR A 441 -63.413 -19.059 -38.448 1.00 0.00 C ATOM 1435 O THR A 441 -64.365 -19.651 -38.955 1.00 0.00 O ATOM 1436 CB THR A 441 -63.865 -17.484 -36.568 1.00 0.00 C ATOM 1437 OG1 THR A 441 -65.240 -17.812 -36.359 1.00 0.00 O ATOM 1438 CG2 THR A 441 -63.598 -16.077 -36.074 1.00 0.00 C ATOM 0 H THR A 441 -65.421 -16.763 -38.384 1.00 0.00 H new ATOM 0 HA THR A 441 -62.576 -17.103 -38.249 1.00 0.00 H new ATOM 0 HB THR A 441 -63.236 -18.180 -36.013 1.00 0.00 H new ATOM 0 HG1 THR A 441 -65.692 -17.061 -35.920 1.00 0.00 H new ATOM 0 HG21 THR A 441 -63.839 -16.012 -35.013 1.00 0.00 H new ATOM 0 HG22 THR A 441 -62.546 -15.833 -36.223 1.00 0.00 H new ATOM 0 HG23 THR A 441 -64.216 -15.373 -36.630 1.00 0.00 H new ATOM 1446 N PRO A 442 -62.229 -19.655 -38.251 1.00 0.00 N ATOM 1447 CA PRO A 442 -62.015 -21.069 -38.525 1.00 0.00 C ATOM 1448 C PRO A 442 -62.664 -21.941 -37.450 1.00 0.00 C ATOM 1449 O PRO A 442 -62.066 -22.217 -36.409 1.00 0.00 O ATOM 1450 CB PRO A 442 -60.490 -21.211 -38.490 1.00 0.00 C ATOM 1451 CG PRO A 442 -60.030 -20.123 -37.583 1.00 0.00 C ATOM 1452 CD PRO A 442 -61.003 -18.989 -37.761 1.00 0.00 C ATOM 0 HA PRO A 442 -62.454 -21.388 -39.471 1.00 0.00 H new ATOM 0 HB2 PRO A 442 -60.192 -22.191 -38.116 1.00 0.00 H new ATOM 0 HB3 PRO A 442 -60.059 -21.105 -39.486 1.00 0.00 H new ATOM 0 HG2 PRO A 442 -60.012 -20.461 -36.547 1.00 0.00 H new ATOM 0 HG3 PRO A 442 -59.017 -19.809 -37.834 1.00 0.00 H new ATOM 0 HD2 PRO A 442 -61.181 -18.462 -36.823 1.00 0.00 H new ATOM 0 HD3 PRO A 442 -60.634 -18.253 -38.475 1.00 0.00 H new ATOM 1460 N THR A 443 -63.887 -22.344 -37.692 1.00 0.00 N ATOM 1461 CA THR A 443 -64.624 -23.140 -36.740 1.00 0.00 C ATOM 1462 C THR A 443 -64.463 -24.637 -37.022 1.00 0.00 C ATOM 1463 O THR A 443 -64.888 -25.139 -38.067 1.00 0.00 O ATOM 1464 CB THR A 443 -66.116 -22.762 -36.771 1.00 0.00 C ATOM 1465 OG1 THR A 443 -66.243 -21.333 -36.640 1.00 0.00 O ATOM 1466 CG2 THR A 443 -66.883 -23.446 -35.641 1.00 0.00 C ATOM 0 H THR A 443 -64.398 -22.131 -38.549 1.00 0.00 H new ATOM 0 HA THR A 443 -64.219 -22.933 -35.749 1.00 0.00 H new ATOM 0 HB THR A 443 -66.538 -23.095 -37.719 1.00 0.00 H new ATOM 0 HG1 THR A 443 -67.191 -21.086 -36.661 1.00 0.00 H new ATOM 0 HG21 THR A 443 -67.934 -23.160 -35.689 1.00 0.00 H new ATOM 0 HG22 THR A 443 -66.796 -24.528 -35.745 1.00 0.00 H new ATOM 0 HG23 THR A 443 -66.467 -23.140 -34.681 1.00 0.00 H new ATOM 1474 N GLU A 444 -63.817 -25.333 -36.101 1.00 0.00 N ATOM 1475 CA GLU A 444 -63.634 -26.770 -36.206 1.00 0.00 C ATOM 1476 C GLU A 444 -64.622 -27.448 -35.273 1.00 0.00 C ATOM 1477 O GLU A 444 -64.619 -27.190 -34.062 1.00 0.00 O ATOM 1478 CB GLU A 444 -62.196 -27.146 -35.815 1.00 0.00 C ATOM 1479 CG GLU A 444 -61.673 -28.443 -36.433 1.00 0.00 C ATOM 1480 CD GLU A 444 -62.382 -29.687 -35.936 1.00 0.00 C ATOM 1481 OE1 GLU A 444 -62.261 -30.003 -34.735 1.00 0.00 O ATOM 1482 OE2 GLU A 444 -63.038 -30.370 -36.754 1.00 0.00 O1- ATOM 0 H GLU A 444 -63.407 -24.920 -35.264 1.00 0.00 H new ATOM 0 HA GLU A 444 -63.807 -27.095 -37.232 1.00 0.00 H new ATOM 0 HB2 GLU A 444 -61.533 -26.331 -36.104 1.00 0.00 H new ATOM 0 HB3 GLU A 444 -62.142 -27.231 -34.730 1.00 0.00 H new ATOM 0 HG2 GLU A 444 -61.776 -28.386 -37.517 1.00 0.00 H new ATOM 0 HG3 GLU A 444 -60.608 -28.533 -36.219 1.00 0.00 H new ATOM 1489 N ARG A 445 -65.478 -28.289 -35.817 1.00 0.00 N ATOM 1490 CA ARG A 445 -66.455 -28.955 -35.008 1.00 0.00 C ATOM 1491 C ARG A 445 -65.872 -30.180 -34.335 1.00 0.00 C ATOM 1492 O ARG A 445 -65.721 -31.236 -34.951 1.00 0.00 O ATOM 1493 CB ARG A 445 -67.702 -29.327 -35.813 1.00 0.00 C ATOM 1494 CG ARG A 445 -68.708 -30.151 -35.019 1.00 0.00 C ATOM 1495 CD ARG A 445 -69.122 -29.435 -33.736 1.00 0.00 C ATOM 1496 NE ARG A 445 -69.893 -30.292 -32.836 1.00 0.00 N ATOM 1497 CZ ARG A 445 -70.383 -29.889 -31.656 1.00 0.00 C ATOM 1498 NH1 ARG A 445 -70.176 -28.645 -31.238 1.00 0.00 N1+ ATOM 1499 NH2 ARG A 445 -71.071 -30.726 -30.894 1.00 0.00 N ATOM 0 H ARG A 445 -65.510 -28.521 -36.810 1.00 0.00 H new ATOM 0 HA ARG A 445 -66.757 -28.251 -34.233 1.00 0.00 H new ATOM 0 HB2 ARG A 445 -68.185 -28.415 -36.163 1.00 0.00 H new ATOM 0 HB3 ARG A 445 -67.401 -29.888 -36.698 1.00 0.00 H new ATOM 0 HG2 ARG A 445 -69.589 -30.342 -35.632 1.00 0.00 H new ATOM 0 HG3 ARG A 445 -68.274 -31.120 -34.773 1.00 0.00 H new ATOM 0 HD2 ARG A 445 -68.231 -29.080 -33.219 1.00 0.00 H new ATOM 0 HD3 ARG A 445 -69.714 -28.556 -33.990 1.00 0.00 H new ATOM 0 HE ARG A 445 -70.068 -31.255 -33.124 1.00 0.00 H new ATOM 0 HH11 ARG A 445 -69.643 -27.995 -31.816 1.00 0.00 H new ATOM 0 HH12 ARG A 445 -70.550 -28.340 -30.339 1.00 0.00 H new ATOM 0 HH21 ARG A 445 -71.231 -31.684 -31.204 1.00 0.00 H new ATOM 0 HH22 ARG A 445 -71.441 -30.412 -29.997 1.00 0.00 H new ATOM 1513 N ASP A 446 -65.538 -30.024 -33.080 1.00 0.00 N ATOM 1514 CA ASP A 446 -65.051 -31.123 -32.284 1.00 0.00 C ATOM 1515 C ASP A 446 -66.236 -31.802 -31.623 1.00 0.00 C ATOM 1516 O ASP A 446 -66.852 -31.244 -30.717 1.00 0.00 O ATOM 1517 CB ASP A 446 -64.068 -30.625 -31.228 1.00 0.00 C ATOM 1518 CG ASP A 446 -63.412 -31.756 -30.464 1.00 0.00 C ATOM 1519 OD1 ASP A 446 -64.001 -32.239 -29.466 1.00 0.00 O1- ATOM 1520 OD2 ASP A 446 -62.295 -32.165 -30.853 1.00 0.00 O ATOM 0 H ASP A 446 -65.595 -29.136 -32.582 1.00 0.00 H new ATOM 0 HA ASP A 446 -64.525 -31.833 -32.922 1.00 0.00 H new ATOM 0 HB2 ASP A 446 -63.298 -30.022 -31.709 1.00 0.00 H new ATOM 0 HB3 ASP A 446 -64.591 -29.974 -30.528 1.00 0.00 H new ATOM 1525 N GLY A 447 -66.575 -32.973 -32.101 1.00 0.00 N ATOM 1526 CA GLY A 447 -67.714 -33.684 -31.578 1.00 0.00 C ATOM 1527 C GLY A 447 -68.708 -34.005 -32.671 1.00 0.00 C ATOM 1528 O GLY A 447 -69.102 -33.117 -33.439 1.00 0.00 O ATOM 0 H GLY A 447 -66.079 -33.454 -32.851 1.00 0.00 H new ATOM 0 HA2 GLY A 447 -67.383 -34.607 -31.102 1.00 0.00 H new ATOM 0 HA3 GLY A 447 -68.198 -33.084 -30.808 1.00 0.00 H new ATOM 1532 N GLY A 448 -69.115 -35.261 -32.742 1.00 0.00 N ATOM 1533 CA GLY A 448 -70.029 -35.705 -33.782 1.00 0.00 C ATOM 1534 C GLY A 448 -71.416 -35.119 -33.644 1.00 0.00 C ATOM 1535 O GLY A 448 -72.239 -35.625 -32.880 1.00 0.00 O ATOM 0 H GLY A 448 -68.827 -35.992 -32.092 1.00 0.00 H new ATOM 0 HA2 GLY A 448 -69.622 -35.433 -34.756 1.00 0.00 H new ATOM 0 HA3 GLY A 448 -70.097 -36.793 -33.758 1.00 0.00 H new ATOM 1539 N CYS A 449 -71.665 -34.039 -34.371 1.00 0.00 N ATOM 1540 CA CYS A 449 -72.952 -33.375 -34.366 1.00 0.00 C ATOM 1541 C CYS A 449 -73.174 -32.650 -35.687 1.00 0.00 C ATOM 1542 O CYS A 449 -72.226 -32.121 -36.283 1.00 0.00 O ATOM 1543 CB CYS A 449 -73.035 -32.370 -33.217 1.00 0.00 C ATOM 1544 SG CYS A 449 -72.846 -33.092 -31.574 1.00 0.00 S ATOM 0 H CYS A 449 -70.975 -33.601 -34.981 1.00 0.00 H new ATOM 0 HA CYS A 449 -73.725 -34.132 -34.232 1.00 0.00 H new ATOM 0 HB2 CYS A 449 -72.264 -31.612 -33.358 1.00 0.00 H new ATOM 0 HB3 CYS A 449 -73.997 -31.859 -33.267 1.00 0.00 H new ATOM 0 HG CYS A 449 -72.647 -34.372 -31.683 1.00 0.00 H new ATOM 1550 N MET A 450 -74.412 -32.639 -36.144 1.00 0.00 N ATOM 1551 CA MET A 450 -74.775 -31.935 -37.364 1.00 0.00 C ATOM 1552 C MET A 450 -75.051 -30.472 -37.044 1.00 0.00 C ATOM 1553 O MET A 450 -74.820 -29.585 -37.864 1.00 0.00 O ATOM 1554 CB MET A 450 -76.005 -32.582 -38.010 1.00 0.00 C ATOM 1555 CG MET A 450 -76.444 -31.931 -39.305 1.00 0.00 C ATOM 1556 SD MET A 450 -75.231 -32.130 -40.613 1.00 0.00 S ATOM 1557 CE MET A 450 -75.140 -33.920 -40.718 1.00 0.00 C ATOM 0 H MET A 450 -75.190 -33.113 -35.686 1.00 0.00 H new ATOM 0 HA MET A 450 -73.948 -31.996 -38.071 1.00 0.00 H new ATOM 0 HB2 MET A 450 -75.790 -33.634 -38.200 1.00 0.00 H new ATOM 0 HB3 MET A 450 -76.833 -32.549 -37.302 1.00 0.00 H new ATOM 0 HG2 MET A 450 -77.392 -32.364 -39.623 1.00 0.00 H new ATOM 0 HG3 MET A 450 -76.620 -30.869 -39.134 1.00 0.00 H new ATOM 0 HE1 MET A 450 -74.947 -34.215 -41.750 1.00 0.00 H new ATOM 0 HE2 MET A 450 -74.333 -34.281 -40.081 1.00 0.00 H new ATOM 0 HE3 MET A 450 -76.084 -34.352 -40.388 1.00 0.00 H new ATOM 1567 N HIS A 451 -75.547 -30.231 -35.841 1.00 0.00 N ATOM 1568 CA HIS A 451 -75.797 -28.882 -35.380 1.00 0.00 C ATOM 1569 C HIS A 451 -74.520 -28.317 -34.784 1.00 0.00 C ATOM 1570 O HIS A 451 -74.183 -28.589 -33.629 1.00 0.00 O ATOM 1571 CB HIS A 451 -76.924 -28.862 -34.336 1.00 0.00 C ATOM 1572 CG HIS A 451 -77.334 -27.485 -33.893 1.00 0.00 C ATOM 1573 ND1 HIS A 451 -77.950 -26.502 -34.590 1.00 0.00 N flip ATOM 1574 CD2 HIS A 451 -77.129 -27.059 -32.605 1.00 0.00 C flip ATOM 1575 CE1 HIS A 451 -78.132 -25.454 -33.722 1.00 0.00 C flip ATOM 1576 NE2 HIS A 451 -77.623 -25.834 -32.546 1.00 0.00 N flip ATOM 0 H HIS A 451 -75.784 -30.958 -35.166 1.00 0.00 H new ATOM 0 HA HIS A 451 -76.111 -28.269 -36.225 1.00 0.00 H new ATOM 0 HB2 HIS A 451 -77.794 -29.372 -34.749 1.00 0.00 H new ATOM 0 HB3 HIS A 451 -76.605 -29.432 -33.463 1.00 0.00 H new ATOM 0 HD1 HIS A 451 -78.226 -26.534 -35.571 1.00 0.00 H new ATOM 0 HD2 HIS A 451 -76.660 -27.611 -31.804 1.00 0.00 H new ATOM 0 HE1 HIS A 451 -78.597 -24.505 -33.946 1.00 0.00 H new ATOM 1584 N MET A 452 -73.799 -27.567 -35.577 1.00 0.00 N ATOM 1585 CA MET A 452 -72.559 -26.980 -35.135 1.00 0.00 C ATOM 1586 C MET A 452 -72.642 -25.475 -35.235 1.00 0.00 C ATOM 1587 O MET A 452 -73.050 -24.933 -36.251 1.00 0.00 O ATOM 1588 CB MET A 452 -71.365 -27.562 -35.920 1.00 0.00 C ATOM 1589 CG MET A 452 -71.412 -27.346 -37.425 1.00 0.00 C ATOM 1590 SD MET A 452 -70.580 -25.839 -37.951 1.00 0.00 S ATOM 1591 CE MET A 452 -68.868 -26.256 -37.619 1.00 0.00 C ATOM 0 H MET A 452 -74.052 -27.347 -36.540 1.00 0.00 H new ATOM 0 HA MET A 452 -72.391 -27.232 -34.088 1.00 0.00 H new ATOM 0 HB2 MET A 452 -70.447 -27.119 -35.534 1.00 0.00 H new ATOM 0 HB3 MET A 452 -71.309 -28.633 -35.724 1.00 0.00 H new ATOM 0 HG2 MET A 452 -70.952 -28.200 -37.923 1.00 0.00 H new ATOM 0 HG3 MET A 452 -72.452 -27.311 -37.748 1.00 0.00 H new ATOM 0 HE1 MET A 452 -68.216 -25.537 -38.114 1.00 0.00 H new ATOM 0 HE2 MET A 452 -68.689 -26.228 -36.544 1.00 0.00 H new ATOM 0 HE3 MET A 452 -68.658 -27.257 -37.996 1.00 0.00 H new ATOM 1601 N VAL A 453 -72.293 -24.807 -34.166 1.00 0.00 N ATOM 1602 CA VAL A 453 -72.427 -23.375 -34.106 1.00 0.00 C ATOM 1603 C VAL A 453 -71.099 -22.726 -33.772 1.00 0.00 C ATOM 1604 O VAL A 453 -70.230 -23.347 -33.142 1.00 0.00 O ATOM 1605 CB VAL A 453 -73.511 -22.952 -33.081 1.00 0.00 C ATOM 1606 CG1 VAL A 453 -74.794 -23.733 -33.321 1.00 0.00 C ATOM 1607 CG2 VAL A 453 -73.037 -23.147 -31.654 1.00 0.00 C ATOM 0 H VAL A 453 -71.912 -25.234 -33.322 1.00 0.00 H new ATOM 0 HA VAL A 453 -72.744 -23.031 -35.090 1.00 0.00 H new ATOM 0 HB VAL A 453 -73.706 -21.889 -33.223 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -75.547 -23.427 -32.595 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -75.159 -23.533 -34.329 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -74.597 -24.799 -33.212 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -73.823 -22.840 -30.964 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -72.800 -24.198 -31.490 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -72.146 -22.543 -31.481 1.00 0.00 H new ATOM 1617 N CYS A 454 -70.925 -21.501 -34.216 1.00 0.00 N ATOM 1618 CA CYS A 454 -69.693 -20.787 -33.985 1.00 0.00 C ATOM 1619 C CYS A 454 -69.694 -20.126 -32.619 1.00 0.00 C ATOM 1620 O CYS A 454 -70.508 -19.233 -32.347 1.00 0.00 O ATOM 1621 CB CYS A 454 -69.471 -19.740 -35.073 1.00 0.00 C ATOM 1622 SG CYS A 454 -67.980 -18.720 -34.837 1.00 0.00 S ATOM 0 H CYS A 454 -71.626 -20.978 -34.741 1.00 0.00 H new ATOM 0 HA CYS A 454 -68.877 -21.508 -34.016 1.00 0.00 H new ATOM 0 HB2 CYS A 454 -69.404 -20.243 -36.037 1.00 0.00 H new ATOM 0 HB3 CYS A 454 -70.342 -19.086 -35.115 1.00 0.00 H new ATOM 0 HG CYS A 454 -66.958 -19.313 -35.380 1.00 0.00 H new ATOM 1627 N THR A 455 -68.801 -20.565 -31.759 1.00 0.00 N ATOM 1628 CA THR A 455 -68.688 -19.980 -30.455 1.00 0.00 C ATOM 1629 C THR A 455 -67.538 -18.954 -30.437 1.00 0.00 C ATOM 1630 O THR A 455 -66.370 -19.279 -30.204 1.00 0.00 O ATOM 1631 CB THR A 455 -68.525 -21.072 -29.347 1.00 0.00 C ATOM 1632 OG1 THR A 455 -68.392 -20.472 -28.052 1.00 0.00 O ATOM 1633 CG2 THR A 455 -67.334 -21.988 -29.621 1.00 0.00 C ATOM 0 H THR A 455 -68.146 -21.325 -31.946 1.00 0.00 H new ATOM 0 HA THR A 455 -69.614 -19.451 -30.228 1.00 0.00 H new ATOM 0 HB THR A 455 -69.429 -21.680 -29.365 1.00 0.00 H new ATOM 0 HG1 THR A 455 -68.293 -21.174 -27.375 1.00 0.00 H new ATOM 0 HG21 THR A 455 -67.257 -22.732 -28.828 1.00 0.00 H new ATOM 0 HG22 THR A 455 -67.474 -22.491 -30.578 1.00 0.00 H new ATOM 0 HG23 THR A 455 -66.419 -21.396 -29.653 1.00 0.00 H new ATOM 1641 N ARG A 456 -67.891 -17.721 -30.716 1.00 0.00 N ATOM 1642 CA ARG A 456 -66.948 -16.621 -30.770 1.00 0.00 C ATOM 1643 C ARG A 456 -67.514 -15.497 -29.915 1.00 0.00 C ATOM 1644 O ARG A 456 -68.696 -15.177 -30.035 1.00 0.00 O ATOM 1645 CB ARG A 456 -66.811 -16.148 -32.235 1.00 0.00 C ATOM 1646 CG ARG A 456 -65.452 -15.571 -32.666 1.00 0.00 C ATOM 1647 CD ARG A 456 -65.004 -14.372 -31.835 1.00 0.00 C ATOM 1648 NE ARG A 456 -64.205 -14.772 -30.674 1.00 0.00 N ATOM 1649 CZ ARG A 456 -63.554 -13.924 -29.870 1.00 0.00 C ATOM 1650 NH1 ARG A 456 -63.605 -12.616 -30.085 1.00 0.00 N1+ ATOM 1651 NH2 ARG A 456 -62.847 -14.394 -28.854 1.00 0.00 N ATOM 0 H ARG A 456 -68.853 -17.447 -30.915 1.00 0.00 H new ATOM 0 HA ARG A 456 -65.967 -16.922 -30.404 1.00 0.00 H new ATOM 0 HB2 ARG A 456 -67.040 -16.993 -32.885 1.00 0.00 H new ATOM 0 HB3 ARG A 456 -67.572 -15.390 -32.417 1.00 0.00 H new ATOM 0 HG2 ARG A 456 -64.696 -16.353 -32.596 1.00 0.00 H new ATOM 0 HG3 ARG A 456 -65.508 -15.275 -33.714 1.00 0.00 H new ATOM 0 HD2 ARG A 456 -64.421 -13.696 -32.460 1.00 0.00 H new ATOM 0 HD3 ARG A 456 -65.880 -13.818 -31.498 1.00 0.00 H new ATOM 0 HE ARG A 456 -64.141 -15.768 -30.464 1.00 0.00 H new ATOM 0 HH11 ARG A 456 -64.144 -12.249 -30.869 1.00 0.00 H new ATOM 0 HH12 ARG A 456 -63.105 -11.978 -29.466 1.00 0.00 H new ATOM 0 HH21 ARG A 456 -62.800 -15.399 -28.687 1.00 0.00 H new ATOM 0 HH22 ARG A 456 -62.349 -13.751 -28.238 1.00 0.00 H new ATOM 1665 N ALA A 457 -66.705 -14.924 -29.047 1.00 0.00 N ATOM 1666 CA ALA A 457 -67.154 -13.821 -28.208 1.00 0.00 C ATOM 1667 C ALA A 457 -67.573 -12.629 -29.069 1.00 0.00 C ATOM 1668 O ALA A 457 -66.731 -11.857 -29.535 1.00 0.00 O ATOM 1669 CB ALA A 457 -66.064 -13.419 -27.225 1.00 0.00 C ATOM 0 H ALA A 457 -65.734 -15.200 -28.901 1.00 0.00 H new ATOM 0 HA ALA A 457 -68.022 -14.152 -27.638 1.00 0.00 H new ATOM 0 HB1 ALA A 457 -66.418 -12.594 -26.607 1.00 0.00 H new ATOM 0 HB2 ALA A 457 -65.816 -14.269 -26.589 1.00 0.00 H new ATOM 0 HB3 ALA A 457 -65.176 -13.106 -27.774 1.00 0.00 H new ATOM 1675 N GLY A 458 -68.871 -12.505 -29.293 1.00 0.00 N ATOM 1676 CA GLY A 458 -69.391 -11.435 -30.119 1.00 0.00 C ATOM 1677 C GLY A 458 -70.097 -11.965 -31.358 1.00 0.00 C ATOM 1678 O GLY A 458 -70.662 -11.198 -32.144 1.00 0.00 O ATOM 0 H GLY A 458 -69.580 -13.132 -28.914 1.00 0.00 H new ATOM 0 HA2 GLY A 458 -70.086 -10.831 -29.536 1.00 0.00 H new ATOM 0 HA3 GLY A 458 -68.574 -10.779 -30.420 1.00 0.00 H new ATOM 1682 N CYS A 459 -70.056 -13.280 -31.536 1.00 0.00 N ATOM 1683 CA CYS A 459 -70.685 -13.925 -32.677 1.00 0.00 C ATOM 1684 C CYS A 459 -71.922 -14.702 -32.245 1.00 0.00 C ATOM 1685 O CYS A 459 -73.045 -14.171 -32.268 1.00 0.00 O ATOM 1686 CB CYS A 459 -69.695 -14.863 -33.372 1.00 0.00 C ATOM 1687 SG CYS A 459 -70.365 -15.755 -34.806 1.00 0.00 S ATOM 0 H CYS A 459 -69.589 -13.923 -30.897 1.00 0.00 H new ATOM 0 HA CYS A 459 -70.990 -13.149 -33.379 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -68.831 -14.282 -33.695 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -69.335 -15.591 -32.645 1.00 0.00 H new ATOM 0 HG CYS A 459 -69.674 -16.838 -35.005 1.00 0.00 H new ATOM 1692 N GLY A 460 -71.708 -15.951 -31.834 1.00 0.00 N ATOM 1693 CA GLY A 460 -72.799 -16.804 -31.431 1.00 0.00 C ATOM 1694 C GLY A 460 -73.744 -17.051 -32.575 1.00 0.00 C ATOM 1695 O GLY A 460 -74.935 -16.758 -32.480 1.00 0.00 O ATOM 0 H GLY A 460 -70.786 -16.384 -31.775 1.00 0.00 H new ATOM 0 HA2 GLY A 460 -72.407 -17.754 -31.067 1.00 0.00 H new ATOM 0 HA3 GLY A 460 -73.338 -16.344 -30.603 1.00 0.00 H new ATOM 1699 N PHE A 461 -73.218 -17.563 -33.668 1.00 0.00 N ATOM 1700 CA PHE A 461 -74.017 -17.794 -34.852 1.00 0.00 C ATOM 1701 C PHE A 461 -74.315 -19.273 -35.029 1.00 0.00 C ATOM 1702 O PHE A 461 -73.410 -20.113 -34.985 1.00 0.00 O ATOM 1703 CB PHE A 461 -73.303 -17.243 -36.091 1.00 0.00 C ATOM 1704 CG PHE A 461 -74.184 -17.135 -37.302 1.00 0.00 C ATOM 1705 CD1 PHE A 461 -75.061 -16.073 -37.438 1.00 0.00 C ATOM 1706 CD2 PHE A 461 -74.133 -18.088 -38.305 1.00 0.00 C ATOM 1707 CE1 PHE A 461 -75.871 -15.963 -38.548 1.00 0.00 C ATOM 1708 CE2 PHE A 461 -74.942 -17.983 -39.417 1.00 0.00 C ATOM 1709 CZ PHE A 461 -75.811 -16.919 -39.537 1.00 0.00 C ATOM 0 H PHE A 461 -72.237 -17.828 -33.761 1.00 0.00 H new ATOM 0 HA PHE A 461 -74.965 -17.270 -34.729 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -72.900 -16.258 -35.858 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -72.455 -17.887 -36.326 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -75.111 -15.321 -36.665 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -73.453 -18.922 -38.216 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -76.551 -15.129 -38.642 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -74.895 -18.733 -40.193 1.00 0.00 H new ATOM 0 HZ PHE A 461 -76.445 -16.836 -40.407 1.00 0.00 H new ATOM 1719 N GLU A 462 -75.583 -19.587 -35.218 1.00 0.00 N ATOM 1720 CA GLU A 462 -76.003 -20.950 -35.455 1.00 0.00 C ATOM 1721 C GLU A 462 -76.131 -21.199 -36.950 1.00 0.00 C ATOM 1722 O GLU A 462 -76.595 -20.329 -37.694 1.00 0.00 O ATOM 1723 CB GLU A 462 -77.347 -21.252 -34.766 1.00 0.00 C ATOM 1724 CG GLU A 462 -77.307 -21.259 -33.242 1.00 0.00 C ATOM 1725 CD GLU A 462 -77.188 -19.881 -32.636 1.00 0.00 C ATOM 1726 OE1 GLU A 462 -78.028 -19.008 -32.950 1.00 0.00 O ATOM 1727 OE2 GLU A 462 -76.273 -19.668 -31.820 1.00 0.00 O1- ATOM 0 H GLU A 462 -76.344 -18.908 -35.211 1.00 0.00 H new ATOM 0 HA GLU A 462 -75.247 -21.612 -35.033 1.00 0.00 H new ATOM 0 HB2 GLU A 462 -78.078 -20.512 -35.091 1.00 0.00 H new ATOM 0 HB3 GLU A 462 -77.703 -22.224 -35.109 1.00 0.00 H new ATOM 0 HG2 GLU A 462 -78.212 -21.736 -32.865 1.00 0.00 H new ATOM 0 HG3 GLU A 462 -76.465 -21.867 -32.911 1.00 0.00 H new ATOM 1734 N TRP A 463 -75.706 -22.368 -37.387 1.00 0.00 N ATOM 1735 CA TRP A 463 -75.786 -22.748 -38.788 1.00 0.00 C ATOM 1736 C TRP A 463 -75.661 -24.255 -38.938 1.00 0.00 C ATOM 1737 O TRP A 463 -75.316 -24.951 -37.980 1.00 0.00 O ATOM 1738 CB TRP A 463 -74.727 -22.004 -39.641 1.00 0.00 C ATOM 1739 CG TRP A 463 -73.317 -22.000 -39.087 1.00 0.00 C ATOM 1740 CD1 TRP A 463 -72.885 -21.406 -37.932 1.00 0.00 C ATOM 1741 CD2 TRP A 463 -72.154 -22.574 -39.694 1.00 0.00 C ATOM 1742 NE1 TRP A 463 -71.535 -21.590 -37.780 1.00 0.00 N ATOM 1743 CE2 TRP A 463 -71.061 -22.302 -38.845 1.00 0.00 C ATOM 1744 CE3 TRP A 463 -71.928 -23.298 -40.866 1.00 0.00 C ATOM 1745 CZ2 TRP A 463 -69.767 -22.725 -39.136 1.00 0.00 C ATOM 1746 CZ3 TRP A 463 -70.643 -23.715 -41.152 1.00 0.00 C ATOM 1747 CH2 TRP A 463 -69.579 -23.428 -40.291 1.00 0.00 C ATOM 0 H TRP A 463 -75.296 -23.081 -36.784 1.00 0.00 H new ATOM 0 HA TRP A 463 -76.765 -22.449 -39.163 1.00 0.00 H new ATOM 0 HB2 TRP A 463 -74.706 -22.455 -40.633 1.00 0.00 H new ATOM 0 HB3 TRP A 463 -75.050 -20.971 -39.767 1.00 0.00 H new ATOM 0 HD1 TRP A 463 -73.517 -20.869 -37.240 1.00 0.00 H new ATOM 0 HE1 TRP A 463 -70.975 -21.250 -36.998 1.00 0.00 H new ATOM 0 HE3 TRP A 463 -72.743 -23.528 -41.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 -68.943 -22.505 -38.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 -70.456 -24.273 -42.057 1.00 0.00 H new ATOM 0 HH2 TRP A 463 -68.587 -23.770 -40.545 1.00 0.00 H new ATOM 1758 N CYS A 464 -75.974 -24.764 -40.119 1.00 0.00 N ATOM 1759 CA CYS A 464 -75.903 -26.194 -40.358 1.00 0.00 C ATOM 1760 C CYS A 464 -74.508 -26.600 -40.785 1.00 0.00 C ATOM 1761 O CYS A 464 -73.796 -25.836 -41.442 1.00 0.00 O ATOM 1762 CB CYS A 464 -76.893 -26.618 -41.431 1.00 0.00 C ATOM 1763 SG CYS A 464 -78.510 -25.788 -41.339 1.00 0.00 S ATOM 0 H CYS A 464 -76.277 -24.212 -40.921 1.00 0.00 H new ATOM 0 HA CYS A 464 -76.154 -26.692 -39.422 1.00 0.00 H new ATOM 0 HB2 CYS A 464 -76.454 -26.423 -42.409 1.00 0.00 H new ATOM 0 HB3 CYS A 464 -77.047 -27.695 -41.360 1.00 0.00 H new ATOM 0 HG CYS A 464 -78.924 -25.780 -40.107 1.00 0.00 H new ATOM 1768 N TRP A 465 -74.134 -27.804 -40.429 1.00 0.00 N ATOM 1769 CA TRP A 465 -72.839 -28.333 -40.785 1.00 0.00 C ATOM 1770 C TRP A 465 -72.728 -28.586 -42.289 1.00 0.00 C ATOM 1771 O TRP A 465 -71.773 -28.146 -42.930 1.00 0.00 O ATOM 1772 CB TRP A 465 -72.561 -29.631 -40.013 1.00 0.00 C ATOM 1773 CG TRP A 465 -71.459 -30.449 -40.605 1.00 0.00 C ATOM 1774 CD1 TRP A 465 -71.594 -31.601 -41.323 1.00 0.00 C ATOM 1775 CD2 TRP A 465 -70.062 -30.172 -40.551 1.00 0.00 C ATOM 1776 NE1 TRP A 465 -70.366 -32.051 -41.720 1.00 0.00 N ATOM 1777 CE2 TRP A 465 -69.410 -31.196 -41.257 1.00 0.00 C ATOM 1778 CE3 TRP A 465 -69.296 -29.159 -39.975 1.00 0.00 C ATOM 1779 CZ2 TRP A 465 -68.039 -31.237 -41.405 1.00 0.00 C ATOM 1780 CZ3 TRP A 465 -67.928 -29.199 -40.120 1.00 0.00 C ATOM 1781 CH2 TRP A 465 -67.309 -30.229 -40.830 1.00 0.00 C ATOM 0 H TRP A 465 -74.715 -28.443 -39.887 1.00 0.00 H new ATOM 0 HA TRP A 465 -72.093 -27.586 -40.514 1.00 0.00 H new ATOM 0 HB2 TRP A 465 -72.307 -29.385 -38.982 1.00 0.00 H new ATOM 0 HB3 TRP A 465 -73.472 -30.229 -39.983 1.00 0.00 H new ATOM 0 HD1 TRP A 465 -72.533 -32.086 -41.545 1.00 0.00 H new ATOM 0 HE1 TRP A 465 -70.193 -32.890 -42.273 1.00 0.00 H new ATOM 0 HE3 TRP A 465 -69.768 -28.358 -39.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 465 -67.559 -32.034 -41.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 465 -67.324 -28.421 -39.677 1.00 0.00 H new ATOM 0 HH2 TRP A 465 -66.233 -30.232 -40.928 1.00 0.00 H new ATOM 1792 N VAL A 466 -73.702 -29.284 -42.843 1.00 0.00 N ATOM 1793 CA VAL A 466 -73.651 -29.678 -44.246 1.00 0.00 C ATOM 1794 C VAL A 466 -73.834 -28.499 -45.205 1.00 0.00 C ATOM 1795 O VAL A 466 -72.913 -28.161 -45.952 1.00 0.00 O ATOM 1796 CB VAL A 466 -74.668 -30.798 -44.559 1.00 0.00 C ATOM 1797 CG1 VAL A 466 -74.675 -31.127 -46.045 1.00 0.00 C ATOM 1798 CG2 VAL A 466 -74.335 -32.039 -43.742 1.00 0.00 C ATOM 0 H VAL A 466 -74.539 -29.591 -42.347 1.00 0.00 H new ATOM 0 HA VAL A 466 -72.646 -30.068 -44.410 1.00 0.00 H new ATOM 0 HB VAL A 466 -75.664 -30.448 -44.288 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -75.399 -31.918 -46.239 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -74.948 -30.238 -46.613 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -73.683 -31.461 -46.348 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -75.055 -32.826 -43.966 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -73.332 -32.382 -43.994 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -74.380 -31.798 -42.680 1.00 0.00 H new ATOM 1808 N CYS A 467 -74.999 -27.868 -45.187 1.00 0.00 N ATOM 1809 CA CYS A 467 -75.242 -26.757 -46.089 1.00 0.00 C ATOM 1810 C CYS A 467 -74.833 -25.454 -45.446 1.00 0.00 C ATOM 1811 O CYS A 467 -75.157 -25.195 -44.285 1.00 0.00 O ATOM 1812 CB CYS A 467 -76.720 -26.694 -46.507 1.00 0.00 C ATOM 1813 SG CYS A 467 -77.859 -26.237 -45.183 1.00 0.00 S ATOM 0 H CYS A 467 -75.776 -28.102 -44.569 1.00 0.00 H new ATOM 0 HA CYS A 467 -74.639 -26.917 -46.983 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -76.823 -25.976 -47.321 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -77.014 -27.667 -46.901 1.00 0.00 H new ATOM 0 HG CYS A 467 -78.042 -27.256 -44.397 1.00 0.00 H new ATOM 1818 N GLN A 468 -74.112 -24.636 -46.172 1.00 0.00 N ATOM 1819 CA GLN A 468 -73.749 -23.352 -45.642 1.00 0.00 C ATOM 1820 C GLN A 468 -74.949 -22.425 -45.739 1.00 0.00 C ATOM 1821 O GLN A 468 -75.356 -22.015 -46.829 1.00 0.00 O ATOM 1822 CB GLN A 468 -72.527 -22.778 -46.377 1.00 0.00 C ATOM 1823 CG GLN A 468 -72.642 -22.790 -47.897 1.00 0.00 C ATOM 1824 CD GLN A 468 -71.379 -22.310 -48.581 1.00 0.00 C ATOM 1825 OE1 GLN A 468 -70.642 -21.486 -48.046 1.00 0.00 O ATOM 1826 NE2 GLN A 468 -71.120 -22.827 -49.765 1.00 0.00 N ATOM 0 H GLN A 468 -73.772 -24.833 -47.113 1.00 0.00 H new ATOM 0 HA GLN A 468 -73.464 -23.454 -44.595 1.00 0.00 H new ATOM 0 HB2 GLN A 468 -72.368 -21.752 -46.045 1.00 0.00 H new ATOM 0 HB3 GLN A 468 -71.644 -23.347 -46.087 1.00 0.00 H new ATOM 0 HG2 GLN A 468 -72.870 -23.802 -48.232 1.00 0.00 H new ATOM 0 HG3 GLN A 468 -73.477 -22.158 -48.199 1.00 0.00 H new ATOM 0 HE21 GLN A 468 -71.758 -23.509 -50.174 1.00 0.00 H new ATOM 0 HE22 GLN A 468 -70.281 -22.545 -50.272 1.00 0.00 H new ATOM 1835 N THR A 469 -75.508 -22.107 -44.596 1.00 0.00 N ATOM 1836 CA THR A 469 -76.691 -21.281 -44.511 1.00 0.00 C ATOM 1837 C THR A 469 -76.734 -20.574 -43.177 1.00 0.00 C ATOM 1838 O THR A 469 -75.846 -20.755 -42.342 1.00 0.00 O ATOM 1839 CB THR A 469 -77.988 -22.124 -44.670 1.00 0.00 C ATOM 1840 OG1 THR A 469 -77.842 -23.392 -44.006 1.00 0.00 O ATOM 1841 CG2 THR A 469 -78.338 -22.348 -46.135 1.00 0.00 C ATOM 0 H THR A 469 -75.153 -22.416 -43.691 1.00 0.00 H new ATOM 0 HA THR A 469 -76.641 -20.555 -45.323 1.00 0.00 H new ATOM 0 HB THR A 469 -78.802 -21.563 -44.211 1.00 0.00 H new ATOM 0 HG1 THR A 469 -78.020 -24.116 -44.641 1.00 0.00 H new ATOM 0 HG21 THR A 469 -79.250 -22.941 -46.205 1.00 0.00 H new ATOM 0 HG22 THR A 469 -78.492 -21.386 -46.623 1.00 0.00 H new ATOM 0 HG23 THR A 469 -77.522 -22.878 -46.627 1.00 0.00 H new ATOM 1849 N GLU A 470 -77.740 -19.762 -42.988 1.00 0.00 N ATOM 1850 CA GLU A 470 -77.944 -19.085 -41.734 1.00 0.00 C ATOM 1851 C GLU A 470 -79.030 -19.794 -40.963 1.00 0.00 C ATOM 1852 O GLU A 470 -79.921 -20.395 -41.563 1.00 0.00 O ATOM 1853 CB GLU A 470 -78.380 -17.645 -41.974 1.00 0.00 C ATOM 1854 CG GLU A 470 -77.479 -16.866 -42.900 1.00 0.00 C ATOM 1855 CD GLU A 470 -78.019 -15.489 -43.181 1.00 0.00 C ATOM 1856 OE1 GLU A 470 -79.034 -15.380 -43.891 1.00 0.00 O ATOM 1857 OE2 GLU A 470 -77.433 -14.505 -42.691 1.00 0.00 O1- ATOM 0 H GLU A 470 -78.441 -19.551 -43.698 1.00 0.00 H new ATOM 0 HA GLU A 470 -77.009 -19.090 -41.174 1.00 0.00 H new ATOM 0 HB2 GLU A 470 -79.389 -17.648 -42.386 1.00 0.00 H new ATOM 0 HB3 GLU A 470 -78.429 -17.129 -41.015 1.00 0.00 H new ATOM 0 HG2 GLU A 470 -76.487 -16.783 -42.457 1.00 0.00 H new ATOM 0 HG3 GLU A 470 -77.365 -17.410 -43.838 1.00 0.00 H new ATOM 1864 N TRP A 471 -78.951 -19.747 -39.651 1.00 0.00 N ATOM 1865 CA TRP A 471 -79.999 -20.300 -38.813 1.00 0.00 C ATOM 1866 C TRP A 471 -81.296 -19.540 -39.078 1.00 0.00 C ATOM 1867 O TRP A 471 -81.501 -18.442 -38.556 1.00 0.00 O ATOM 1868 CB TRP A 471 -79.603 -20.186 -37.341 1.00 0.00 C ATOM 1869 CG TRP A 471 -80.589 -20.782 -36.395 1.00 0.00 C ATOM 1870 CD1 TRP A 471 -80.877 -22.103 -36.242 1.00 0.00 C ATOM 1871 CD2 TRP A 471 -81.406 -20.079 -35.458 1.00 0.00 C ATOM 1872 NE1 TRP A 471 -81.831 -22.265 -35.275 1.00 0.00 N ATOM 1873 CE2 TRP A 471 -82.173 -21.037 -34.778 1.00 0.00 C ATOM 1874 CE3 TRP A 471 -81.566 -18.730 -35.132 1.00 0.00 C ATOM 1875 CZ2 TRP A 471 -83.086 -20.693 -33.789 1.00 0.00 C ATOM 1876 CZ3 TRP A 471 -82.472 -18.389 -34.150 1.00 0.00 C ATOM 1877 CH2 TRP A 471 -83.222 -19.366 -33.488 1.00 0.00 C ATOM 0 H TRP A 471 -78.173 -19.332 -39.139 1.00 0.00 H new ATOM 0 HA TRP A 471 -80.144 -21.355 -39.047 1.00 0.00 H new ATOM 0 HB2 TRP A 471 -78.638 -20.673 -37.197 1.00 0.00 H new ATOM 0 HB3 TRP A 471 -79.469 -19.133 -37.093 1.00 0.00 H new ATOM 0 HD1 TRP A 471 -80.420 -22.906 -36.802 1.00 0.00 H new ATOM 0 HE1 TRP A 471 -82.224 -23.157 -34.973 1.00 0.00 H new ATOM 0 HE3 TRP A 471 -80.991 -17.969 -35.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 471 -83.667 -21.446 -33.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 471 -82.605 -17.350 -33.888 1.00 0.00 H new ATOM 0 HH2 TRP A 471 -83.923 -19.066 -32.723 1.00 0.00 H new ATOM 1888 N THR A 472 -82.147 -20.106 -39.912 1.00 0.00 N ATOM 1889 CA THR A 472 -83.366 -19.443 -40.307 1.00 0.00 C ATOM 1890 C THR A 472 -84.532 -20.437 -40.427 1.00 0.00 C ATOM 1891 O THR A 472 -84.426 -21.590 -40.009 1.00 0.00 O ATOM 1892 CB THR A 472 -83.157 -18.669 -41.648 1.00 0.00 C ATOM 1893 OG1 THR A 472 -84.329 -17.911 -41.990 1.00 0.00 O ATOM 1894 CG2 THR A 472 -82.818 -19.624 -42.787 1.00 0.00 C ATOM 0 H THR A 472 -82.012 -21.027 -40.328 1.00 0.00 H new ATOM 0 HA THR A 472 -83.624 -18.725 -39.528 1.00 0.00 H new ATOM 0 HB THR A 472 -82.321 -17.985 -41.502 1.00 0.00 H new ATOM 0 HG1 THR A 472 -84.175 -17.433 -42.832 1.00 0.00 H new ATOM 0 HG21 THR A 472 -82.678 -19.057 -43.708 1.00 0.00 H new ATOM 0 HG22 THR A 472 -81.901 -20.163 -42.549 1.00 0.00 H new ATOM 0 HG23 THR A 472 -83.633 -20.336 -42.920 1.00 0.00 H new ATOM 1902 N ARG A 473 -85.627 -19.972 -41.003 1.00 0.00 N ATOM 1903 CA ARG A 473 -86.854 -20.750 -41.150 1.00 0.00 C ATOM 1904 C ARG A 473 -86.711 -21.899 -42.156 1.00 0.00 C ATOM 1905 O ARG A 473 -87.472 -22.859 -42.110 1.00 0.00 O ATOM 1906 CB ARG A 473 -87.990 -19.827 -41.585 1.00 0.00 C ATOM 1907 CG ARG A 473 -87.712 -19.100 -42.892 1.00 0.00 C ATOM 1908 CD ARG A 473 -88.813 -18.116 -43.237 1.00 0.00 C ATOM 1909 NE ARG A 473 -88.957 -17.070 -42.222 1.00 0.00 N ATOM 1910 CZ ARG A 473 -88.243 -15.938 -42.197 1.00 0.00 C ATOM 1911 NH1 ARG A 473 -87.283 -15.728 -43.096 1.00 0.00 N1+ ATOM 1912 NH2 ARG A 473 -88.486 -15.019 -41.267 1.00 0.00 N ATOM 0 H ARG A 473 -85.694 -19.030 -41.389 1.00 0.00 H new ATOM 0 HA ARG A 473 -87.073 -21.198 -40.181 1.00 0.00 H new ATOM 0 HB2 ARG A 473 -88.903 -20.412 -41.691 1.00 0.00 H new ATOM 0 HB3 ARG A 473 -88.171 -19.092 -40.801 1.00 0.00 H new ATOM 0 HG2 ARG A 473 -86.762 -18.571 -42.818 1.00 0.00 H new ATOM 0 HG3 ARG A 473 -87.610 -19.827 -43.697 1.00 0.00 H new ATOM 0 HD2 ARG A 473 -88.598 -17.657 -44.202 1.00 0.00 H new ATOM 0 HD3 ARG A 473 -89.757 -18.651 -43.342 1.00 0.00 H new ATOM 0 HE ARG A 473 -89.647 -17.214 -41.485 1.00 0.00 H new ATOM 0 HH11 ARG A 473 -87.089 -16.432 -43.808 1.00 0.00 H new ATOM 0 HH12 ARG A 473 -86.742 -14.864 -43.072 1.00 0.00 H new ATOM 0 HH21 ARG A 473 -89.216 -15.177 -40.573 1.00 0.00 H new ATOM 0 HH22 ARG A 473 -87.942 -14.156 -41.248 1.00 0.00 H new ATOM 1926 N ASP A 474 -85.751 -21.799 -43.061 1.00 0.00 N ATOM 1927 CA ASP A 474 -85.571 -22.837 -44.081 1.00 0.00 C ATOM 1928 C ASP A 474 -85.098 -24.147 -43.459 1.00 0.00 C ATOM 1929 O ASP A 474 -85.766 -25.175 -43.566 1.00 0.00 O ATOM 1930 CB ASP A 474 -84.592 -22.385 -45.168 1.00 0.00 C ATOM 1931 CG ASP A 474 -84.528 -23.369 -46.325 1.00 0.00 C ATOM 1932 OD1 ASP A 474 -85.457 -23.373 -47.156 1.00 0.00 O ATOM 1933 OD2 ASP A 474 -83.551 -24.136 -46.414 1.00 0.00 O1- ATOM 0 H ASP A 474 -85.090 -21.024 -43.117 1.00 0.00 H new ATOM 0 HA ASP A 474 -86.543 -23.007 -44.544 1.00 0.00 H new ATOM 0 HB2 ASP A 474 -84.892 -21.406 -45.541 1.00 0.00 H new ATOM 0 HB3 ASP A 474 -83.598 -22.270 -44.735 1.00 0.00 H new ATOM 1938 N CYS A 475 -83.963 -24.101 -42.784 1.00 0.00 N ATOM 1939 CA CYS A 475 -83.404 -25.287 -42.151 1.00 0.00 C ATOM 1940 C CYS A 475 -83.878 -25.431 -40.705 1.00 0.00 C ATOM 1941 O CYS A 475 -83.317 -26.219 -39.955 1.00 0.00 O ATOM 1942 CB CYS A 475 -81.877 -25.232 -42.183 1.00 0.00 C ATOM 1943 SG CYS A 475 -81.153 -25.146 -43.856 1.00 0.00 S ATOM 0 H CYS A 475 -83.408 -23.254 -42.659 1.00 0.00 H new ATOM 0 HA CYS A 475 -83.753 -26.153 -42.713 1.00 0.00 H new ATOM 0 HB2 CYS A 475 -81.546 -24.364 -41.613 1.00 0.00 H new ATOM 0 HB3 CYS A 475 -81.484 -26.114 -41.677 1.00 0.00 H new ATOM 0 HG CYS A 475 -80.442 -26.212 -44.076 1.00 0.00 H new ATOM 1948 N MET A 476 -84.940 -24.697 -40.340 1.00 0.00 N ATOM 1949 CA MET A 476 -85.460 -24.690 -38.953 1.00 0.00 C ATOM 1950 C MET A 476 -85.703 -26.103 -38.416 1.00 0.00 C ATOM 1951 O MET A 476 -85.565 -26.354 -37.220 1.00 0.00 O ATOM 1952 CB MET A 476 -86.750 -23.858 -38.848 1.00 0.00 C ATOM 1953 CG MET A 476 -87.970 -24.495 -39.499 1.00 0.00 C ATOM 1954 SD MET A 476 -89.431 -23.431 -39.449 1.00 0.00 S ATOM 1955 CE MET A 476 -89.623 -23.180 -37.683 1.00 0.00 C ATOM 0 H MET A 476 -85.460 -24.099 -40.982 1.00 0.00 H new ATOM 0 HA MET A 476 -84.689 -24.228 -38.336 1.00 0.00 H new ATOM 0 HB2 MET A 476 -86.968 -23.681 -37.795 1.00 0.00 H new ATOM 0 HB3 MET A 476 -86.577 -22.884 -39.306 1.00 0.00 H new ATOM 0 HG2 MET A 476 -87.738 -24.736 -40.536 1.00 0.00 H new ATOM 0 HG3 MET A 476 -88.194 -25.436 -38.996 1.00 0.00 H new ATOM 0 HE1 MET A 476 -90.627 -22.810 -37.475 1.00 0.00 H new ATOM 0 HE2 MET A 476 -89.470 -24.125 -37.162 1.00 0.00 H new ATOM 0 HE3 MET A 476 -88.889 -22.452 -37.337 1.00 0.00 H new ATOM 1965 N GLY A 477 -86.072 -27.009 -39.299 1.00 0.00 N ATOM 1966 CA GLY A 477 -86.291 -28.381 -38.910 1.00 0.00 C ATOM 1967 C GLY A 477 -85.998 -29.309 -40.052 1.00 0.00 C ATOM 1968 O GLY A 477 -86.632 -30.353 -40.199 1.00 0.00 O ATOM 0 H GLY A 477 -86.225 -26.817 -40.289 1.00 0.00 H new ATOM 0 HA2 GLY A 477 -85.655 -28.629 -38.061 1.00 0.00 H new ATOM 0 HA3 GLY A 477 -87.323 -28.512 -38.584 1.00 0.00 H new ATOM 1972 N ALA A 478 -85.027 -28.929 -40.861 1.00 0.00 N ATOM 1973 CA ALA A 478 -84.683 -29.693 -42.043 1.00 0.00 C ATOM 1974 C ALA A 478 -83.648 -30.768 -41.745 1.00 0.00 C ATOM 1975 O ALA A 478 -83.937 -31.963 -41.847 1.00 0.00 O ATOM 1976 CB ALA A 478 -84.190 -28.770 -43.146 1.00 0.00 C ATOM 0 H ALA A 478 -84.461 -28.092 -40.719 1.00 0.00 H new ATOM 0 HA ALA A 478 -85.588 -30.198 -42.381 1.00 0.00 H new ATOM 0 HB1 ALA A 478 -83.936 -29.359 -44.027 1.00 0.00 H new ATOM 0 HB2 ALA A 478 -84.974 -28.056 -43.401 1.00 0.00 H new ATOM 0 HB3 ALA A 478 -83.307 -28.232 -42.802 1.00 0.00 H new ATOM 1982 N HIS A 479 -82.448 -30.353 -41.365 1.00 0.00 N ATOM 1983 CA HIS A 479 -81.368 -31.305 -41.141 1.00 0.00 C ATOM 1984 C HIS A 479 -80.475 -30.939 -39.953 1.00 0.00 C ATOM 1985 O HIS A 479 -79.308 -30.594 -40.126 1.00 0.00 O ATOM 1986 CB HIS A 479 -80.520 -31.475 -42.420 1.00 0.00 C ATOM 1987 CG HIS A 479 -80.172 -30.177 -43.109 1.00 0.00 C ATOM 1988 ND1 HIS A 479 -80.186 -30.008 -44.475 1.00 0.00 N ATOM 1989 CD2 HIS A 479 -79.803 -28.973 -42.588 1.00 0.00 C ATOM 1990 CE1 HIS A 479 -79.833 -28.746 -44.736 1.00 0.00 C ATOM 1991 NE2 HIS A 479 -79.593 -28.072 -43.622 1.00 0.00 N ATOM 0 H HIS A 479 -82.199 -29.377 -41.207 1.00 0.00 H new ATOM 0 HA HIS A 479 -81.843 -32.254 -40.891 1.00 0.00 H new ATOM 0 HB2 HIS A 479 -79.598 -31.996 -42.164 1.00 0.00 H new ATOM 0 HB3 HIS A 479 -81.062 -32.111 -43.120 1.00 0.00 H new ATOM 0 HD1 HIS A 479 -80.424 -30.720 -45.166 1.00 0.00 H new ATOM 0 HD2 HIS A 479 -79.692 -28.755 -41.536 1.00 0.00 H new ATOM 0 HE1 HIS A 479 -79.754 -28.329 -45.729 1.00 0.00 H new ATOM 1999 N TRP A 480 -81.015 -31.008 -38.754 1.00 0.00 N ATOM 2000 CA TRP A 480 -80.207 -30.778 -37.563 1.00 0.00 C ATOM 2001 C TRP A 480 -79.535 -32.073 -37.156 1.00 0.00 C ATOM 2002 O TRP A 480 -78.691 -32.107 -36.260 1.00 0.00 O ATOM 2003 CB TRP A 480 -81.038 -30.224 -36.410 1.00 0.00 C ATOM 2004 CG TRP A 480 -81.558 -28.837 -36.643 1.00 0.00 C ATOM 2005 CD1 TRP A 480 -82.829 -28.401 -36.424 1.00 0.00 C ATOM 2006 CD2 TRP A 480 -80.824 -27.700 -37.144 1.00 0.00 C ATOM 2007 NE1 TRP A 480 -82.934 -27.072 -36.739 1.00 0.00 N ATOM 2008 CE2 TRP A 480 -81.721 -26.618 -37.187 1.00 0.00 C ATOM 2009 CE3 TRP A 480 -79.496 -27.487 -37.557 1.00 0.00 C ATOM 2010 CZ2 TRP A 480 -81.344 -25.350 -37.621 1.00 0.00 C ATOM 2011 CZ3 TRP A 480 -79.128 -26.229 -37.988 1.00 0.00 C ATOM 2012 CH2 TRP A 480 -80.047 -25.176 -38.015 1.00 0.00 C ATOM 0 H TRP A 480 -81.997 -31.218 -38.574 1.00 0.00 H new ATOM 0 HA TRP A 480 -79.452 -30.029 -37.802 1.00 0.00 H new ATOM 0 HB2 TRP A 480 -81.881 -30.891 -36.230 1.00 0.00 H new ATOM 0 HB3 TRP A 480 -80.431 -30.226 -35.505 1.00 0.00 H new ATOM 0 HD1 TRP A 480 -83.638 -29.014 -36.055 1.00 0.00 H new ATOM 0 HE1 TRP A 480 -83.781 -26.510 -36.654 1.00 0.00 H new ATOM 0 HE3 TRP A 480 -78.778 -28.293 -37.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 480 -82.051 -24.534 -37.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 480 -78.112 -26.055 -38.310 1.00 0.00 H new ATOM 0 HH2 TRP A 480 -79.725 -24.203 -38.355 1.00 0.00 H new ATOM 2023 N PHE A 481 -79.927 -33.134 -37.825 1.00 0.00 N ATOM 2024 CA PHE A 481 -79.363 -34.441 -37.620 1.00 0.00 C ATOM 2025 C PHE A 481 -79.311 -35.158 -38.956 1.00 0.00 C ATOM 2026 O PHE A 481 -80.275 -35.117 -39.721 1.00 0.00 O ATOM 2027 CB PHE A 481 -80.194 -35.237 -36.609 1.00 0.00 C ATOM 2028 CG PHE A 481 -79.601 -36.572 -36.257 1.00 0.00 C ATOM 2029 CD1 PHE A 481 -78.456 -36.650 -35.481 1.00 0.00 C ATOM 2030 CD2 PHE A 481 -80.186 -37.747 -36.700 1.00 0.00 C ATOM 2031 CE1 PHE A 481 -77.907 -37.873 -35.154 1.00 0.00 C ATOM 2032 CE2 PHE A 481 -79.640 -38.972 -36.376 1.00 0.00 C ATOM 2033 CZ PHE A 481 -78.498 -39.035 -35.602 1.00 0.00 C ATOM 0 H PHE A 481 -80.658 -33.108 -38.536 1.00 0.00 H new ATOM 0 HA PHE A 481 -78.356 -34.348 -37.214 1.00 0.00 H new ATOM 0 HB2 PHE A 481 -80.305 -34.647 -35.699 1.00 0.00 H new ATOM 0 HB3 PHE A 481 -81.194 -35.389 -37.014 1.00 0.00 H new ATOM 0 HD1 PHE A 481 -77.988 -35.743 -35.128 1.00 0.00 H new ATOM 0 HD2 PHE A 481 -81.079 -37.704 -37.306 1.00 0.00 H new ATOM 0 HE1 PHE A 481 -77.015 -37.920 -34.547 1.00 0.00 H new ATOM 0 HE2 PHE A 481 -80.105 -39.881 -36.727 1.00 0.00 H new ATOM 0 HZ PHE A 481 -78.069 -39.993 -35.348 1.00 0.00 H new ATOM 2043 N GLY A 482 -78.194 -35.787 -39.242 1.00 0.00 N ATOM 2044 CA GLY A 482 -78.033 -36.467 -40.496 1.00 0.00 C ATOM 2045 C GLY A 482 -76.688 -37.119 -40.584 1.00 0.00 C ATOM 2046 O GLY A 482 -76.150 -37.231 -41.697 1.00 0.00 O ATOM 2047 OXT GLY A 482 -76.157 -37.509 -39.525 1.00 0.00 O ATOM 0 H GLY A 482 -77.387 -35.839 -38.620 1.00 0.00 H new ATOM 0 HA2 GLY A 482 -78.814 -37.219 -40.609 1.00 0.00 H new ATOM 0 HA3 GLY A 482 -78.152 -35.759 -41.316 1.00 0.00 H new