USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 677 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 464 CYS SG : rot -149:sc= 0.604 USER MOD Set 1.2: A 467 CYS SG : rot 180:sc= 0.278 USER MOD Set 1.3: A 469 THR OG1 : rot -167:sc= -0.194 USER MOD Set 1.4: A 475 CYS SG : rot -166:sc= 0.67 USER MOD Set 1.5: A 479 HIS : +bothHN:sc= -0.953! C(o=0.4!,f=-12!) USER MOD Set 2.1: A 451 HIS : no HD1:sc= 1.16 K(o=1.2,f=-4.6!) USER MOD Set 2.2: A 472 THR OG1 : rot 150:sc= 0 USER MOD Set 3.1: A 436 CYS SG : rot -159:sc= -2.47! USER MOD Set 3.2: A 438 LYS NZ :NH3+ -159:sc= 1.37 (180deg=-0.16) USER MOD Set 3.3: A 439 CYS SG : rot -90:sc= 2.05 USER MOD Set 3.4: A 441 THR OG1 : rot -84:sc= 1.35 USER MOD Set 3.5: A 454 CYS SG : rot 170:sc= -0.946 USER MOD Set 3.6: A 459 CYS SG : rot -149:sc= 0.11 USER MOD Set 4.1: A 382 CYS SG : rot -148:sc= -0.0161 USER MOD Set 4.2: A 385 CYS SG : rot -86:sc= 0.988 USER MOD Set 4.3: A 390 HIS : no HD1:sc= 0.0598 K(o=0.92,f=-10!) USER MOD Set 4.4: A 394 CYS SG : rot -86:sc= -0.111 USER MOD Set 5.1: A 353 CYS SG : rot -178:sc= -0.945 USER MOD Set 5.2: A 355 GLN :FLIP amide:sc= -0.0127 F(o=-1,f=0.43) USER MOD Set 5.3: A 358 CYS SG : rot -110:sc= 0.0868 USER MOD Set 5.4: A 360 MET CE :methyl 168:sc= -0.71 (180deg=-1.09) USER MOD Set 5.5: A 373 CYS SG : rot 150:sc= 0.882 USER MOD Set 5.6: A 377 CYS SG : rot -4:sc= 1.13 USER MOD Single : A 368 CYS SG : rot 47:sc= -1.98 USER MOD Single : A 370 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 372 THR OG1 : rot 180:sc= -1.63! USER MOD Single : A 374 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.0043) USER MOD Single : A 375 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 379 TYR OH : rot 180:sc= 0 USER MOD Single : A 384 ASN : amide:sc= 1 K(o=1,f=-6.5!) USER MOD Single : A 387 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 389 TYR OH : rot -140:sc= 0.0251 USER MOD Single : A 432 SER OG : rot 180:sc= 0.0122 USER MOD Single : A 433 THR OG1 : rot 180:sc= 0.0422 USER MOD Single : A 434 LYS NZ :NH3+ 148:sc= 1.14 (180deg=0.315) USER MOD Single : A 443 THR OG1 : rot 180:sc= 0 USER MOD Single : A 449 CYS SG : rot -99:sc= 1.14 USER MOD Single : A 450 MET CE :methyl 170:sc= -3.44! (180deg=-3.6!) USER MOD Single : A 452 MET CE :methyl -115:sc= -0.371 (180deg=-2.22) USER MOD Single : A 455 THR OG1 : rot 51:sc= 0.157 USER MOD Single : A 468 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 476 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 123 N GLY A 350 -100.224 -60.179 18.562 1.00 0.00 N ATOM 124 CA GLY A 350 -101.214 -59.648 19.455 1.00 0.00 C ATOM 125 C GLY A 350 -100.615 -59.039 20.698 1.00 0.00 C ATOM 126 O GLY A 350 -99.491 -58.535 20.677 1.00 0.00 O ATOM 0 HA2 GLY A 350 -101.800 -58.892 18.932 1.00 0.00 H new ATOM 0 HA3 GLY A 350 -101.902 -60.443 19.741 1.00 0.00 H new ATOM 130 N VAL A 351 -101.366 -59.093 21.772 1.00 0.00 N ATOM 131 CA VAL A 351 -100.964 -58.545 23.040 1.00 0.00 C ATOM 132 C VAL A 351 -100.905 -59.636 24.089 1.00 0.00 C ATOM 133 O VAL A 351 -101.138 -60.799 23.799 1.00 0.00 O ATOM 134 CB VAL A 351 -101.912 -57.426 23.511 1.00 0.00 C ATOM 135 CG1 VAL A 351 -101.790 -56.208 22.612 1.00 0.00 C ATOM 136 CG2 VAL A 351 -103.356 -57.921 23.570 1.00 0.00 C ATOM 0 H VAL A 351 -102.289 -59.527 21.787 1.00 0.00 H new ATOM 0 HA VAL A 351 -99.973 -58.111 22.905 1.00 0.00 H new ATOM 0 HB VAL A 351 -101.619 -57.134 24.520 1.00 0.00 H new ATOM 0 HG11 VAL A 351 -102.467 -55.429 22.961 1.00 0.00 H new ATOM 0 HG12 VAL A 351 -100.765 -55.837 22.639 1.00 0.00 H new ATOM 0 HG13 VAL A 351 -102.049 -56.483 21.590 1.00 0.00 H new ATOM 0 HG21 VAL A 351 -104.005 -57.112 23.905 1.00 0.00 H new ATOM 0 HG22 VAL A 351 -103.669 -58.250 22.579 1.00 0.00 H new ATOM 0 HG23 VAL A 351 -103.426 -58.755 24.268 1.00 0.00 H new ATOM 146 N LEU A 352 -100.571 -59.266 25.291 1.00 0.00 N ATOM 147 CA LEU A 352 -100.459 -60.219 26.372 1.00 0.00 C ATOM 148 C LEU A 352 -101.337 -59.822 27.531 1.00 0.00 C ATOM 149 O LEU A 352 -101.621 -58.637 27.730 1.00 0.00 O ATOM 150 CB LEU A 352 -99.009 -60.374 26.852 1.00 0.00 C ATOM 151 CG LEU A 352 -98.087 -61.230 25.978 1.00 0.00 C ATOM 152 CD1 LEU A 352 -97.632 -60.475 24.739 1.00 0.00 C ATOM 153 CD2 LEU A 352 -96.896 -61.713 26.787 1.00 0.00 C ATOM 0 H LEU A 352 -100.368 -58.302 25.555 1.00 0.00 H new ATOM 0 HA LEU A 352 -100.792 -61.181 25.981 1.00 0.00 H new ATOM 0 HB2 LEU A 352 -98.570 -59.380 26.939 1.00 0.00 H new ATOM 0 HB3 LEU A 352 -99.025 -60.804 27.854 1.00 0.00 H new ATOM 0 HG LEU A 352 -98.654 -62.097 25.639 1.00 0.00 H new ATOM 0 HD11 LEU A 352 -96.980 -61.113 24.143 1.00 0.00 H new ATOM 0 HD12 LEU A 352 -98.502 -60.191 24.146 1.00 0.00 H new ATOM 0 HD13 LEU A 352 -97.088 -59.579 25.038 1.00 0.00 H new ATOM 0 HD21 LEU A 352 -96.249 -62.320 26.154 1.00 0.00 H new ATOM 0 HD22 LEU A 352 -96.337 -60.855 27.160 1.00 0.00 H new ATOM 0 HD23 LEU A 352 -97.246 -62.311 27.628 1.00 0.00 H new ATOM 165 N CYS A 353 -101.775 -60.825 28.277 1.00 0.00 N ATOM 166 CA CYS A 353 -102.589 -60.626 29.461 1.00 0.00 C ATOM 167 C CYS A 353 -101.880 -59.665 30.419 1.00 0.00 C ATOM 168 O CYS A 353 -100.658 -59.740 30.588 1.00 0.00 O ATOM 169 CB CYS A 353 -102.833 -61.982 30.143 1.00 0.00 C ATOM 170 SG CYS A 353 -103.994 -61.950 31.549 1.00 0.00 S ATOM 0 H CYS A 353 -101.573 -61.804 28.075 1.00 0.00 H new ATOM 0 HA CYS A 353 -103.549 -60.192 29.180 1.00 0.00 H new ATOM 0 HB2 CYS A 353 -103.210 -62.682 29.398 1.00 0.00 H new ATOM 0 HB3 CYS A 353 -101.877 -62.372 30.492 1.00 0.00 H new ATOM 0 HG CYS A 353 -104.093 -63.142 32.057 1.00 0.00 H new ATOM 175 N PRO A 354 -102.633 -58.741 31.031 1.00 0.00 N ATOM 176 CA PRO A 354 -102.087 -57.754 31.978 1.00 0.00 C ATOM 177 C PRO A 354 -101.420 -58.409 33.177 1.00 0.00 C ATOM 178 O PRO A 354 -100.622 -57.783 33.875 1.00 0.00 O ATOM 179 CB PRO A 354 -103.320 -56.959 32.426 1.00 0.00 C ATOM 180 CG PRO A 354 -104.478 -57.817 32.066 1.00 0.00 C ATOM 181 CD PRO A 354 -104.073 -58.574 30.843 1.00 0.00 C ATOM 0 HA PRO A 354 -101.313 -57.141 31.517 1.00 0.00 H new ATOM 0 HB2 PRO A 354 -103.294 -56.759 33.497 1.00 0.00 H new ATOM 0 HB3 PRO A 354 -103.372 -55.993 31.923 1.00 0.00 H new ATOM 0 HG2 PRO A 354 -104.726 -58.498 32.880 1.00 0.00 H new ATOM 0 HG3 PRO A 354 -105.365 -57.213 31.874 1.00 0.00 H new ATOM 0 HD2 PRO A 354 -104.586 -59.533 30.772 1.00 0.00 H new ATOM 0 HD3 PRO A 354 -104.301 -58.022 29.931 1.00 0.00 H new ATOM 189 N GLN A 355 -101.759 -59.663 33.418 1.00 0.00 N ATOM 190 CA GLN A 355 -101.158 -60.413 34.489 1.00 0.00 C ATOM 191 C GLN A 355 -99.847 -61.024 34.001 1.00 0.00 C ATOM 192 O GLN A 355 -99.848 -61.890 33.124 1.00 0.00 O ATOM 193 CB GLN A 355 -102.111 -61.512 34.971 1.00 0.00 C ATOM 194 CG GLN A 355 -101.559 -62.350 36.114 1.00 0.00 C ATOM 195 CD GLN A 355 -102.503 -63.458 36.531 1.00 0.00 C ATOM 196 OE1 GLN A 355 -102.368 -64.614 35.905 1.00 0.00 O flip ATOM 197 NE2 GLN A 355 -103.345 -63.279 37.409 1.00 0.00 N flip ATOM 0 H GLN A 355 -102.453 -60.180 32.878 1.00 0.00 H new ATOM 0 HA GLN A 355 -100.956 -59.746 35.327 1.00 0.00 H new ATOM 0 HB2 GLN A 355 -103.047 -61.053 35.289 1.00 0.00 H new ATOM 0 HB3 GLN A 355 -102.346 -62.168 34.133 1.00 0.00 H new ATOM 0 HG2 GLN A 355 -100.605 -62.784 35.814 1.00 0.00 H new ATOM 0 HG3 GLN A 355 -101.361 -61.705 36.970 1.00 0.00 H new ATOM 0 HE21 GLN A 355 -103.417 -62.371 37.869 1.00 0.00 H new ATOM 0 HE22 GLN A 355 -103.971 -64.038 37.678 1.00 0.00 H new ATOM 206 N PRO A 356 -98.705 -60.571 34.546 1.00 0.00 N ATOM 207 CA PRO A 356 -97.390 -61.072 34.144 1.00 0.00 C ATOM 208 C PRO A 356 -97.229 -62.555 34.455 1.00 0.00 C ATOM 209 O PRO A 356 -96.489 -63.266 33.776 1.00 0.00 O ATOM 210 CB PRO A 356 -96.405 -60.235 34.963 1.00 0.00 C ATOM 211 CG PRO A 356 -97.204 -59.675 36.089 1.00 0.00 C ATOM 212 CD PRO A 356 -98.609 -59.535 35.588 1.00 0.00 C ATOM 0 HA PRO A 356 -97.232 -60.983 33.069 1.00 0.00 H new ATOM 0 HB2 PRO A 356 -95.581 -60.846 35.331 1.00 0.00 H new ATOM 0 HB3 PRO A 356 -95.967 -59.441 34.359 1.00 0.00 H new ATOM 0 HG2 PRO A 356 -97.166 -60.334 36.957 1.00 0.00 H new ATOM 0 HG3 PRO A 356 -96.807 -58.710 36.404 1.00 0.00 H new ATOM 0 HD2 PRO A 356 -99.337 -59.696 36.383 1.00 0.00 H new ATOM 0 HD3 PRO A 356 -98.794 -58.540 35.183 1.00 0.00 H new ATOM 220 N GLY A 357 -97.936 -63.015 35.481 1.00 0.00 N ATOM 221 CA GLY A 357 -97.912 -64.416 35.837 1.00 0.00 C ATOM 222 C GLY A 357 -98.577 -65.268 34.781 1.00 0.00 C ATOM 223 O GLY A 357 -98.272 -66.455 34.639 1.00 0.00 O ATOM 0 H GLY A 357 -98.529 -62.435 36.075 1.00 0.00 H new ATOM 0 HA2 GLY A 357 -96.880 -64.741 35.971 1.00 0.00 H new ATOM 0 HA3 GLY A 357 -98.418 -64.558 36.792 1.00 0.00 H new ATOM 227 N CYS A 358 -99.487 -64.655 34.032 1.00 0.00 N ATOM 228 CA CYS A 358 -100.172 -65.332 32.955 1.00 0.00 C ATOM 229 C CYS A 358 -99.212 -65.500 31.786 1.00 0.00 C ATOM 230 O CYS A 358 -98.720 -66.599 31.531 1.00 0.00 O ATOM 231 CB CYS A 358 -101.408 -64.525 32.529 1.00 0.00 C ATOM 232 SG CYS A 358 -102.490 -65.354 31.327 1.00 0.00 S ATOM 0 H CYS A 358 -99.764 -63.682 34.159 1.00 0.00 H new ATOM 0 HA CYS A 358 -100.506 -66.314 33.289 1.00 0.00 H new ATOM 0 HB2 CYS A 358 -101.992 -64.288 33.418 1.00 0.00 H new ATOM 0 HB3 CYS A 358 -101.076 -63.578 32.104 1.00 0.00 H new ATOM 0 HG CYS A 358 -102.404 -64.752 30.178 1.00 0.00 H new ATOM 237 N GLY A 359 -98.933 -64.391 31.102 1.00 0.00 N ATOM 238 CA GLY A 359 -98.003 -64.397 29.979 1.00 0.00 C ATOM 239 C GLY A 359 -98.342 -65.436 28.926 1.00 0.00 C ATOM 240 O GLY A 359 -97.452 -65.982 28.274 1.00 0.00 O ATOM 0 H GLY A 359 -99.339 -63.478 31.308 1.00 0.00 H new ATOM 0 HA2 GLY A 359 -97.996 -63.410 29.517 1.00 0.00 H new ATOM 0 HA3 GLY A 359 -96.995 -64.582 30.351 1.00 0.00 H new ATOM 244 N MET A 360 -99.625 -65.716 28.769 1.00 0.00 N ATOM 245 CA MET A 360 -100.077 -66.693 27.795 1.00 0.00 C ATOM 246 C MET A 360 -99.904 -66.165 26.381 1.00 0.00 C ATOM 247 O MET A 360 -99.141 -66.711 25.587 1.00 0.00 O ATOM 248 CB MET A 360 -101.543 -67.043 28.039 1.00 0.00 C ATOM 249 CG MET A 360 -102.133 -67.988 27.002 1.00 0.00 C ATOM 250 SD MET A 360 -103.907 -68.229 27.213 1.00 0.00 S ATOM 251 CE MET A 360 -104.505 -66.549 27.016 1.00 0.00 C ATOM 0 H MET A 360 -100.374 -65.278 29.306 1.00 0.00 H new ATOM 0 HA MET A 360 -99.470 -67.591 27.908 1.00 0.00 H new ATOM 0 HB2 MET A 360 -101.639 -67.497 29.025 1.00 0.00 H new ATOM 0 HB3 MET A 360 -102.128 -66.124 28.053 1.00 0.00 H new ATOM 0 HG2 MET A 360 -101.940 -67.593 26.005 1.00 0.00 H new ATOM 0 HG3 MET A 360 -101.629 -68.952 27.066 1.00 0.00 H new ATOM 0 HE1 MET A 360 -105.589 -66.559 26.907 1.00 0.00 H new ATOM 0 HE2 MET A 360 -104.234 -65.961 27.893 1.00 0.00 H new ATOM 0 HE3 MET A 360 -104.055 -66.105 26.128 1.00 0.00 H new ATOM 261 N GLY A 361 -100.599 -65.090 26.082 1.00 0.00 N ATOM 262 CA GLY A 361 -100.555 -64.529 24.759 1.00 0.00 C ATOM 263 C GLY A 361 -101.938 -64.381 24.187 1.00 0.00 C ATOM 264 O GLY A 361 -102.695 -65.349 24.119 1.00 0.00 O ATOM 0 H GLY A 361 -101.199 -64.591 26.739 1.00 0.00 H new ATOM 0 HA2 GLY A 361 -100.065 -63.556 24.789 1.00 0.00 H new ATOM 0 HA3 GLY A 361 -99.956 -65.168 24.110 1.00 0.00 H new ATOM 268 N LEU A 362 -102.277 -63.178 23.801 1.00 0.00 N ATOM 269 CA LEU A 362 -103.584 -62.879 23.262 1.00 0.00 C ATOM 270 C LEU A 362 -103.471 -62.414 21.828 1.00 0.00 C ATOM 271 O LEU A 362 -102.691 -61.526 21.508 1.00 0.00 O ATOM 272 CB LEU A 362 -104.283 -61.813 24.111 1.00 0.00 C ATOM 273 CG LEU A 362 -105.031 -62.310 25.368 1.00 0.00 C ATOM 274 CD1 LEU A 362 -106.029 -63.404 25.016 1.00 0.00 C ATOM 275 CD2 LEU A 362 -104.060 -62.784 26.441 1.00 0.00 C ATOM 0 H LEU A 362 -101.653 -62.373 23.851 1.00 0.00 H new ATOM 0 HA LEU A 362 -104.182 -63.790 23.286 1.00 0.00 H new ATOM 0 HB2 LEU A 362 -103.536 -61.084 24.425 1.00 0.00 H new ATOM 0 HB3 LEU A 362 -104.996 -61.286 23.477 1.00 0.00 H new ATOM 0 HG LEU A 362 -105.587 -61.465 25.774 1.00 0.00 H new ATOM 0 HD11 LEU A 362 -106.541 -63.734 25.920 1.00 0.00 H new ATOM 0 HD12 LEU A 362 -106.760 -63.015 24.307 1.00 0.00 H new ATOM 0 HD13 LEU A 362 -105.502 -64.247 24.569 1.00 0.00 H new ATOM 0 HD21 LEU A 362 -104.619 -63.127 27.312 1.00 0.00 H new ATOM 0 HD22 LEU A 362 -103.458 -63.604 26.050 1.00 0.00 H new ATOM 0 HD23 LEU A 362 -103.407 -61.961 26.730 1.00 0.00 H new ATOM 287 N LEU A 363 -104.256 -63.007 20.978 1.00 0.00 N ATOM 288 CA LEU A 363 -104.224 -62.686 19.566 1.00 0.00 C ATOM 289 C LEU A 363 -105.197 -61.551 19.271 1.00 0.00 C ATOM 290 O LEU A 363 -106.385 -61.638 19.589 1.00 0.00 O ATOM 291 CB LEU A 363 -104.575 -63.935 18.732 1.00 0.00 C ATOM 292 CG LEU A 363 -104.042 -63.975 17.283 1.00 0.00 C ATOM 293 CD1 LEU A 363 -104.648 -62.872 16.433 1.00 0.00 C ATOM 294 CD2 LEU A 363 -102.524 -63.892 17.266 1.00 0.00 C ATOM 0 H LEU A 363 -104.936 -63.724 21.233 1.00 0.00 H new ATOM 0 HA LEU A 363 -103.219 -62.362 19.294 1.00 0.00 H new ATOM 0 HB2 LEU A 363 -104.197 -64.812 19.258 1.00 0.00 H new ATOM 0 HB3 LEU A 363 -105.661 -64.027 18.698 1.00 0.00 H new ATOM 0 HG LEU A 363 -104.343 -64.929 16.849 1.00 0.00 H new ATOM 0 HD11 LEU A 363 -104.249 -62.932 15.420 1.00 0.00 H new ATOM 0 HD12 LEU A 363 -105.731 -62.989 16.404 1.00 0.00 H new ATOM 0 HD13 LEU A 363 -104.399 -61.902 16.864 1.00 0.00 H new ATOM 0 HD21 LEU A 363 -102.169 -63.922 16.236 1.00 0.00 H new ATOM 0 HD22 LEU A 363 -102.205 -62.960 17.733 1.00 0.00 H new ATOM 0 HD23 LEU A 363 -102.107 -64.735 17.818 1.00 0.00 H new ATOM 306 N VAL A 364 -104.691 -60.488 18.670 1.00 0.00 N ATOM 307 CA VAL A 364 -105.517 -59.346 18.336 1.00 0.00 C ATOM 308 C VAL A 364 -106.038 -59.458 16.908 1.00 0.00 C ATOM 309 O VAL A 364 -105.312 -59.211 15.945 1.00 0.00 O ATOM 310 CB VAL A 364 -104.755 -58.011 18.511 1.00 0.00 C ATOM 311 CG1 VAL A 364 -105.635 -56.832 18.118 1.00 0.00 C ATOM 312 CG2 VAL A 364 -104.276 -57.858 19.944 1.00 0.00 C ATOM 0 H VAL A 364 -103.711 -60.394 18.404 1.00 0.00 H new ATOM 0 HA VAL A 364 -106.359 -59.347 19.029 1.00 0.00 H new ATOM 0 HB VAL A 364 -103.886 -58.025 17.853 1.00 0.00 H new ATOM 0 HG11 VAL A 364 -105.079 -55.904 18.249 1.00 0.00 H new ATOM 0 HG12 VAL A 364 -105.933 -56.932 17.074 1.00 0.00 H new ATOM 0 HG13 VAL A 364 -106.524 -56.815 18.749 1.00 0.00 H new ATOM 0 HG21 VAL A 364 -103.742 -56.914 20.050 1.00 0.00 H new ATOM 0 HG22 VAL A 364 -105.133 -57.868 20.617 1.00 0.00 H new ATOM 0 HG23 VAL A 364 -103.609 -58.683 20.195 1.00 0.00 H new ATOM 322 N GLU A 365 -107.279 -59.869 16.788 1.00 0.00 N ATOM 323 CA GLU A 365 -107.939 -59.984 15.499 1.00 0.00 C ATOM 324 C GLU A 365 -108.725 -58.718 15.222 1.00 0.00 C ATOM 325 O GLU A 365 -109.136 -58.036 16.150 1.00 0.00 O ATOM 326 CB GLU A 365 -108.915 -61.172 15.515 1.00 0.00 C ATOM 327 CG GLU A 365 -108.255 -62.528 15.649 1.00 0.00 C ATOM 328 CD GLU A 365 -107.656 -63.018 14.348 1.00 0.00 C ATOM 329 OE1 GLU A 365 -106.698 -62.393 13.848 1.00 0.00 O1- ATOM 330 OE2 GLU A 365 -108.149 -64.036 13.814 1.00 0.00 O ATOM 0 H GLU A 365 -107.864 -60.135 17.580 1.00 0.00 H new ATOM 0 HA GLU A 365 -107.185 -60.137 14.727 1.00 0.00 H new ATOM 0 HB2 GLU A 365 -109.614 -61.040 16.341 1.00 0.00 H new ATOM 0 HB3 GLU A 365 -109.501 -61.157 14.596 1.00 0.00 H new ATOM 0 HG2 GLU A 365 -107.473 -62.473 16.406 1.00 0.00 H new ATOM 0 HG3 GLU A 365 -108.990 -63.252 16.001 1.00 0.00 H new ATOM 337 N PRO A 366 -108.954 -58.376 13.947 1.00 0.00 N ATOM 338 CA PRO A 366 -109.807 -57.241 13.595 1.00 0.00 C ATOM 339 C PRO A 366 -111.258 -57.546 13.972 1.00 0.00 C ATOM 340 O PRO A 366 -112.122 -56.671 13.974 1.00 0.00 O ATOM 341 CB PRO A 366 -109.652 -57.122 12.074 1.00 0.00 C ATOM 342 CG PRO A 366 -109.198 -58.469 11.627 1.00 0.00 C ATOM 343 CD PRO A 366 -108.390 -59.039 12.761 1.00 0.00 C ATOM 0 HA PRO A 366 -109.536 -56.321 14.112 1.00 0.00 H new ATOM 0 HB2 PRO A 366 -110.595 -56.846 11.601 1.00 0.00 H new ATOM 0 HB3 PRO A 366 -108.926 -56.353 11.810 1.00 0.00 H new ATOM 0 HG2 PRO A 366 -110.049 -59.109 11.395 1.00 0.00 H new ATOM 0 HG3 PRO A 366 -108.598 -58.396 10.720 1.00 0.00 H new ATOM 0 HD2 PRO A 366 -108.490 -60.123 12.821 1.00 0.00 H new ATOM 0 HD3 PRO A 366 -107.328 -58.823 12.646 1.00 0.00 H new ATOM 351 N ASP A 367 -111.494 -58.811 14.302 1.00 0.00 N ATOM 352 CA ASP A 367 -112.793 -59.298 14.729 1.00 0.00 C ATOM 353 C ASP A 367 -112.813 -59.485 16.236 1.00 0.00 C ATOM 354 O ASP A 367 -113.585 -60.295 16.763 1.00 0.00 O ATOM 355 CB ASP A 367 -113.108 -60.634 14.057 1.00 0.00 C ATOM 356 CG ASP A 367 -113.387 -60.504 12.583 1.00 0.00 C ATOM 357 OD1 ASP A 367 -114.563 -60.309 12.218 1.00 0.00 O ATOM 358 OD2 ASP A 367 -112.439 -60.618 11.778 1.00 0.00 O1- ATOM 0 H ASP A 367 -110.775 -59.534 14.279 1.00 0.00 H new ATOM 0 HA ASP A 367 -113.544 -58.562 14.442 1.00 0.00 H new ATOM 0 HB2 ASP A 367 -112.269 -61.314 14.203 1.00 0.00 H new ATOM 0 HB3 ASP A 367 -113.972 -61.085 14.546 1.00 0.00 H new ATOM 363 N CYS A 368 -111.956 -58.747 16.934 1.00 0.00 N ATOM 364 CA CYS A 368 -111.878 -58.825 18.369 1.00 0.00 C ATOM 365 C CYS A 368 -113.109 -58.175 19.019 1.00 0.00 C ATOM 366 O CYS A 368 -113.052 -57.058 19.532 1.00 0.00 O ATOM 367 CB CYS A 368 -110.581 -58.175 18.860 1.00 0.00 C ATOM 368 SG CYS A 368 -110.411 -56.426 18.419 1.00 0.00 S ATOM 0 H CYS A 368 -111.304 -58.085 16.514 1.00 0.00 H new ATOM 0 HA CYS A 368 -111.868 -59.874 18.664 1.00 0.00 H new ATOM 0 HB2 CYS A 368 -110.528 -58.271 19.944 1.00 0.00 H new ATOM 0 HB3 CYS A 368 -109.734 -58.725 18.449 1.00 0.00 H new ATOM 0 HG CYS A 368 -111.518 -55.800 18.691 1.00 0.00 H new ATOM 374 N ARG A 369 -114.226 -58.882 18.946 1.00 0.00 N ATOM 375 CA ARG A 369 -115.491 -58.434 19.516 1.00 0.00 C ATOM 376 C ARG A 369 -115.408 -58.339 21.038 1.00 0.00 C ATOM 377 O ARG A 369 -116.176 -57.616 21.666 1.00 0.00 O ATOM 378 CB ARG A 369 -116.643 -59.388 19.111 1.00 0.00 C ATOM 379 CG ARG A 369 -116.601 -60.773 19.779 1.00 0.00 C ATOM 380 CD ARG A 369 -115.422 -61.616 19.296 1.00 0.00 C ATOM 381 NE ARG A 369 -115.266 -62.846 20.072 1.00 0.00 N ATOM 382 CZ ARG A 369 -114.222 -63.682 19.966 1.00 0.00 C ATOM 383 NH1 ARG A 369 -113.262 -63.442 19.074 1.00 0.00 N1+ ATOM 384 NH2 ARG A 369 -114.147 -64.759 20.743 1.00 0.00 N ATOM 0 H ARG A 369 -114.282 -59.791 18.486 1.00 0.00 H new ATOM 0 HA ARG A 369 -115.697 -57.440 19.118 1.00 0.00 H new ATOM 0 HB2 ARG A 369 -117.593 -58.912 19.355 1.00 0.00 H new ATOM 0 HB3 ARG A 369 -116.622 -59.521 18.029 1.00 0.00 H new ATOM 0 HG2 ARG A 369 -116.538 -60.650 20.860 1.00 0.00 H new ATOM 0 HG3 ARG A 369 -117.531 -61.302 19.572 1.00 0.00 H new ATOM 0 HD2 ARG A 369 -115.564 -61.867 18.245 1.00 0.00 H new ATOM 0 HD3 ARG A 369 -114.506 -61.028 19.362 1.00 0.00 H new ATOM 0 HE ARG A 369 -116.000 -63.084 20.739 1.00 0.00 H new ATOM 0 HH11 ARG A 369 -113.320 -62.622 18.470 1.00 0.00 H new ATOM 0 HH12 ARG A 369 -112.469 -64.078 18.995 1.00 0.00 H new ATOM 0 HH21 ARG A 369 -114.884 -64.951 21.421 1.00 0.00 H new ATOM 0 HH22 ARG A 369 -113.352 -65.393 20.660 1.00 0.00 H new ATOM 398 N LYS A 370 -114.478 -59.078 21.617 1.00 0.00 N ATOM 399 CA LYS A 370 -114.303 -59.094 23.050 1.00 0.00 C ATOM 400 C LYS A 370 -112.936 -59.650 23.404 1.00 0.00 C ATOM 401 O LYS A 370 -112.675 -60.837 23.218 1.00 0.00 O ATOM 402 CB LYS A 370 -115.390 -59.950 23.709 1.00 0.00 C ATOM 403 CG LYS A 370 -115.340 -59.958 25.228 1.00 0.00 C ATOM 404 CD LYS A 370 -115.824 -58.640 25.814 1.00 0.00 C ATOM 405 CE LYS A 370 -115.600 -58.599 27.313 1.00 0.00 C ATOM 406 NZ LYS A 370 -116.296 -57.458 27.953 1.00 0.00 N1+ ATOM 0 H LYS A 370 -113.830 -59.678 21.107 1.00 0.00 H new ATOM 0 HA LYS A 370 -114.382 -58.071 23.419 1.00 0.00 H new ATOM 0 HB2 LYS A 370 -116.367 -59.586 23.391 1.00 0.00 H new ATOM 0 HB3 LYS A 370 -115.299 -60.974 23.348 1.00 0.00 H new ATOM 0 HG2 LYS A 370 -115.956 -60.773 25.608 1.00 0.00 H new ATOM 0 HG3 LYS A 370 -114.319 -60.150 25.557 1.00 0.00 H new ATOM 0 HD2 LYS A 370 -115.297 -57.812 25.341 1.00 0.00 H new ATOM 0 HD3 LYS A 370 -116.884 -58.509 25.597 1.00 0.00 H new ATOM 0 HE2 LYS A 370 -115.951 -59.531 27.756 1.00 0.00 H new ATOM 0 HE3 LYS A 370 -114.531 -58.531 27.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 370 -116.114 -57.471 28.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 370 -115.944 -56.566 27.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 370 -117.319 -57.535 27.782 1.00 0.00 H new ATOM 420 N VAL A 371 -112.060 -58.795 23.881 1.00 0.00 N ATOM 421 CA VAL A 371 -110.750 -59.231 24.311 1.00 0.00 C ATOM 422 C VAL A 371 -110.760 -59.546 25.800 1.00 0.00 C ATOM 423 O VAL A 371 -110.981 -58.671 26.648 1.00 0.00 O ATOM 424 CB VAL A 371 -109.633 -58.211 23.952 1.00 0.00 C ATOM 425 CG1 VAL A 371 -110.111 -56.789 24.091 1.00 0.00 C ATOM 426 CG2 VAL A 371 -108.376 -58.448 24.779 1.00 0.00 C ATOM 0 H VAL A 371 -112.230 -57.794 23.981 1.00 0.00 H new ATOM 0 HA VAL A 371 -110.514 -60.144 23.764 1.00 0.00 H new ATOM 0 HB VAL A 371 -109.378 -58.371 22.904 1.00 0.00 H new ATOM 0 HG11 VAL A 371 -109.302 -56.106 23.831 1.00 0.00 H new ATOM 0 HG12 VAL A 371 -110.955 -56.622 23.422 1.00 0.00 H new ATOM 0 HG13 VAL A 371 -110.422 -56.609 25.120 1.00 0.00 H new ATOM 0 HG21 VAL A 371 -107.616 -57.718 24.503 1.00 0.00 H new ATOM 0 HG22 VAL A 371 -108.612 -58.343 25.838 1.00 0.00 H new ATOM 0 HG23 VAL A 371 -108.000 -59.453 24.589 1.00 0.00 H new ATOM 436 N THR A 372 -110.573 -60.806 26.101 1.00 0.00 N ATOM 437 CA THR A 372 -110.586 -61.291 27.456 1.00 0.00 C ATOM 438 C THR A 372 -109.716 -62.535 27.557 1.00 0.00 C ATOM 439 O THR A 372 -109.645 -63.324 26.605 1.00 0.00 O ATOM 440 CB THR A 372 -112.035 -61.641 27.883 1.00 0.00 C ATOM 441 OG1 THR A 372 -112.857 -60.475 27.786 1.00 0.00 O ATOM 442 CG2 THR A 372 -112.088 -62.188 29.305 1.00 0.00 C ATOM 0 H THR A 372 -110.406 -61.531 25.404 1.00 0.00 H new ATOM 0 HA THR A 372 -110.197 -60.515 28.115 1.00 0.00 H new ATOM 0 HB THR A 372 -112.404 -62.417 27.213 1.00 0.00 H new ATOM 0 HG1 THR A 372 -113.773 -60.697 28.054 1.00 0.00 H new ATOM 0 HG21 THR A 372 -113.120 -62.421 29.567 1.00 0.00 H new ATOM 0 HG22 THR A 372 -111.484 -63.093 29.369 1.00 0.00 H new ATOM 0 HG23 THR A 372 -111.698 -61.441 29.997 1.00 0.00 H new ATOM 450 N CYS A 373 -109.037 -62.705 28.687 1.00 0.00 N ATOM 451 CA CYS A 373 -108.223 -63.885 28.900 1.00 0.00 C ATOM 452 C CYS A 373 -109.130 -65.080 29.187 1.00 0.00 C ATOM 453 O CYS A 373 -109.269 -65.518 30.321 1.00 0.00 O ATOM 454 CB CYS A 373 -107.235 -63.665 30.050 1.00 0.00 C ATOM 455 SG CYS A 373 -105.868 -64.867 30.105 1.00 0.00 S ATOM 0 H CYS A 373 -109.037 -62.042 29.462 1.00 0.00 H new ATOM 0 HA CYS A 373 -107.642 -64.085 27.999 1.00 0.00 H new ATOM 0 HB2 CYS A 373 -106.818 -62.661 29.968 1.00 0.00 H new ATOM 0 HB3 CYS A 373 -107.779 -63.708 30.994 1.00 0.00 H new ATOM 0 HG CYS A 373 -104.814 -64.303 30.616 1.00 0.00 H new ATOM 460 N GLN A 374 -109.787 -65.554 28.152 1.00 0.00 N ATOM 461 CA GLN A 374 -110.701 -66.675 28.256 1.00 0.00 C ATOM 462 C GLN A 374 -109.958 -67.993 28.153 1.00 0.00 C ATOM 463 O GLN A 374 -110.462 -69.032 28.562 1.00 0.00 O ATOM 464 CB GLN A 374 -111.765 -66.584 27.160 1.00 0.00 C ATOM 465 CG GLN A 374 -112.756 -65.446 27.350 1.00 0.00 C ATOM 466 CD GLN A 374 -113.762 -65.723 28.451 1.00 0.00 C ATOM 467 OE1 GLN A 374 -114.834 -66.273 28.203 1.00 0.00 O ATOM 468 NE2 GLN A 374 -113.425 -65.362 29.669 1.00 0.00 N ATOM 0 H GLN A 374 -109.704 -65.173 27.210 1.00 0.00 H new ATOM 0 HA GLN A 374 -111.185 -66.633 29.232 1.00 0.00 H new ATOM 0 HB2 GLN A 374 -111.270 -66.463 26.197 1.00 0.00 H new ATOM 0 HB3 GLN A 374 -112.313 -67.526 27.121 1.00 0.00 H new ATOM 0 HG2 GLN A 374 -112.212 -64.531 27.583 1.00 0.00 H new ATOM 0 HG3 GLN A 374 -113.287 -65.272 26.414 1.00 0.00 H new ATOM 0 HE21 GLN A 374 -112.527 -64.908 29.836 1.00 0.00 H new ATOM 0 HE22 GLN A 374 -114.061 -65.536 30.447 1.00 0.00 H new ATOM 477 N ASN A 375 -108.755 -67.947 27.606 1.00 0.00 N ATOM 478 CA ASN A 375 -107.957 -69.156 27.435 1.00 0.00 C ATOM 479 C ASN A 375 -106.966 -69.320 28.572 1.00 0.00 C ATOM 480 O ASN A 375 -106.432 -70.407 28.788 1.00 0.00 O ATOM 481 CB ASN A 375 -107.214 -69.148 26.091 1.00 0.00 C ATOM 482 CG ASN A 375 -108.148 -69.125 24.898 1.00 0.00 C ATOM 483 OD1 ASN A 375 -108.653 -70.159 24.473 1.00 0.00 O ATOM 484 ND2 ASN A 375 -108.362 -67.948 24.330 1.00 0.00 N ATOM 0 H ASN A 375 -108.309 -67.092 27.273 1.00 0.00 H new ATOM 0 HA ASN A 375 -108.644 -70.002 27.445 1.00 0.00 H new ATOM 0 HB2 ASN A 375 -106.559 -68.278 26.049 1.00 0.00 H new ATOM 0 HB3 ASN A 375 -106.576 -70.030 26.029 1.00 0.00 H new ATOM 0 HD21 ASN A 375 -108.965 -67.880 23.510 1.00 0.00 H new ATOM 0 HD22 ASN A 375 -107.924 -67.110 24.713 1.00 0.00 H new ATOM 491 N GLY A 376 -106.730 -68.246 29.301 1.00 0.00 N ATOM 492 CA GLY A 376 -105.794 -68.295 30.397 1.00 0.00 C ATOM 493 C GLY A 376 -106.486 -68.219 31.730 1.00 0.00 C ATOM 494 O GLY A 376 -107.049 -69.212 32.204 1.00 0.00 O ATOM 0 H GLY A 376 -107.171 -67.338 29.153 1.00 0.00 H new ATOM 0 HA2 GLY A 376 -105.216 -69.218 30.340 1.00 0.00 H new ATOM 0 HA3 GLY A 376 -105.087 -67.470 30.308 1.00 0.00 H new ATOM 498 N CYS A 377 -106.464 -67.051 32.329 1.00 0.00 N ATOM 499 CA CYS A 377 -107.092 -66.842 33.610 1.00 0.00 C ATOM 500 C CYS A 377 -108.450 -66.169 33.439 1.00 0.00 C ATOM 501 O CYS A 377 -109.448 -66.828 33.108 1.00 0.00 O ATOM 502 CB CYS A 377 -106.173 -66.021 34.526 1.00 0.00 C ATOM 503 SG CYS A 377 -105.414 -64.571 33.722 1.00 0.00 S ATOM 0 H CYS A 377 -106.012 -66.223 31.943 1.00 0.00 H new ATOM 0 HA CYS A 377 -107.260 -67.811 34.081 1.00 0.00 H new ATOM 0 HB2 CYS A 377 -106.747 -65.684 35.389 1.00 0.00 H new ATOM 0 HB3 CYS A 377 -105.381 -66.669 34.902 1.00 0.00 H new ATOM 0 HG CYS A 377 -105.745 -64.549 32.465 1.00 0.00 H new ATOM 508 N GLY A 378 -108.491 -64.878 33.673 1.00 0.00 N ATOM 509 CA GLY A 378 -109.706 -64.135 33.489 1.00 0.00 C ATOM 510 C GLY A 378 -109.498 -62.655 33.655 1.00 0.00 C ATOM 511 O GLY A 378 -109.304 -62.175 34.772 1.00 0.00 O ATOM 0 H GLY A 378 -107.695 -64.325 33.991 1.00 0.00 H new ATOM 0 HA2 GLY A 378 -110.105 -64.335 32.494 1.00 0.00 H new ATOM 0 HA3 GLY A 378 -110.452 -64.478 34.206 1.00 0.00 H new ATOM 515 N TYR A 379 -109.528 -61.922 32.557 1.00 0.00 N ATOM 516 CA TYR A 379 -109.387 -60.480 32.615 1.00 0.00 C ATOM 517 C TYR A 379 -109.888 -59.841 31.332 1.00 0.00 C ATOM 518 O TYR A 379 -109.596 -60.322 30.238 1.00 0.00 O ATOM 519 CB TYR A 379 -107.926 -60.084 32.863 1.00 0.00 C ATOM 520 CG TYR A 379 -107.753 -58.654 33.339 1.00 0.00 C ATOM 521 CD1 TYR A 379 -107.684 -57.598 32.441 1.00 0.00 C ATOM 522 CD2 TYR A 379 -107.654 -58.365 34.691 1.00 0.00 C ATOM 523 CE1 TYR A 379 -107.520 -56.297 32.877 1.00 0.00 C ATOM 524 CE2 TYR A 379 -107.488 -57.068 35.133 1.00 0.00 C ATOM 525 CZ TYR A 379 -107.422 -56.039 34.221 1.00 0.00 C ATOM 526 OH TYR A 379 -107.246 -54.746 34.658 1.00 0.00 O ATOM 0 H TYR A 379 -109.648 -62.301 31.618 1.00 0.00 H new ATOM 0 HA TYR A 379 -109.991 -60.117 33.447 1.00 0.00 H new ATOM 0 HB2 TYR A 379 -107.497 -60.758 33.604 1.00 0.00 H new ATOM 0 HB3 TYR A 379 -107.360 -60.222 31.942 1.00 0.00 H new ATOM 0 HD1 TYR A 379 -107.760 -57.797 31.382 1.00 0.00 H new ATOM 0 HD2 TYR A 379 -107.708 -59.168 35.411 1.00 0.00 H new ATOM 0 HE1 TYR A 379 -107.469 -55.488 32.164 1.00 0.00 H new ATOM 0 HE2 TYR A 379 -107.410 -56.861 36.190 1.00 0.00 H new ATOM 0 HH TYR A 379 -107.197 -54.735 35.637 1.00 0.00 H new ATOM 536 N VAL A 380 -110.645 -58.773 31.469 1.00 0.00 N ATOM 537 CA VAL A 380 -111.129 -58.022 30.325 1.00 0.00 C ATOM 538 C VAL A 380 -110.271 -56.772 30.140 1.00 0.00 C ATOM 539 O VAL A 380 -110.089 -55.996 31.079 1.00 0.00 O ATOM 540 CB VAL A 380 -112.624 -57.623 30.491 1.00 0.00 C ATOM 541 CG1 VAL A 380 -113.506 -58.858 30.491 1.00 0.00 C ATOM 542 CG2 VAL A 380 -112.845 -56.825 31.774 1.00 0.00 C ATOM 0 H VAL A 380 -110.942 -58.401 32.371 1.00 0.00 H new ATOM 0 HA VAL A 380 -111.054 -58.658 29.443 1.00 0.00 H new ATOM 0 HB VAL A 380 -112.895 -56.991 29.645 1.00 0.00 H new ATOM 0 HG11 VAL A 380 -114.548 -58.561 30.608 1.00 0.00 H new ATOM 0 HG12 VAL A 380 -113.385 -59.392 29.548 1.00 0.00 H new ATOM 0 HG13 VAL A 380 -113.220 -59.510 31.317 1.00 0.00 H new ATOM 0 HG21 VAL A 380 -113.899 -56.561 31.861 1.00 0.00 H new ATOM 0 HG22 VAL A 380 -112.549 -57.428 32.633 1.00 0.00 H new ATOM 0 HG23 VAL A 380 -112.245 -55.916 31.745 1.00 0.00 H new ATOM 552 N PHE A 381 -109.721 -56.578 28.954 1.00 0.00 N ATOM 553 CA PHE A 381 -108.855 -55.437 28.730 1.00 0.00 C ATOM 554 C PHE A 381 -108.989 -54.943 27.318 1.00 0.00 C ATOM 555 O PHE A 381 -109.851 -55.400 26.596 1.00 0.00 O ATOM 556 CB PHE A 381 -107.387 -55.753 29.093 1.00 0.00 C ATOM 557 CG PHE A 381 -106.771 -56.919 28.361 1.00 0.00 C ATOM 558 CD1 PHE A 381 -107.074 -58.226 28.718 1.00 0.00 C ATOM 559 CD2 PHE A 381 -105.871 -56.706 27.335 1.00 0.00 C ATOM 560 CE1 PHE A 381 -106.493 -59.288 28.057 1.00 0.00 C ATOM 561 CE2 PHE A 381 -105.285 -57.761 26.678 1.00 0.00 C ATOM 562 CZ PHE A 381 -105.595 -59.052 27.036 1.00 0.00 C ATOM 0 H PHE A 381 -109.856 -57.185 28.145 1.00 0.00 H new ATOM 0 HA PHE A 381 -109.174 -54.635 29.396 1.00 0.00 H new ATOM 0 HB2 PHE A 381 -106.784 -54.866 28.899 1.00 0.00 H new ATOM 0 HB3 PHE A 381 -107.330 -55.948 30.164 1.00 0.00 H new ATOM 0 HD1 PHE A 381 -107.771 -58.413 29.521 1.00 0.00 H new ATOM 0 HD2 PHE A 381 -105.624 -55.695 27.045 1.00 0.00 H new ATOM 0 HE1 PHE A 381 -106.740 -60.301 28.338 1.00 0.00 H new ATOM 0 HE2 PHE A 381 -104.581 -57.576 25.880 1.00 0.00 H new ATOM 0 HZ PHE A 381 -105.136 -59.881 26.518 1.00 0.00 H new ATOM 572 N CYS A 382 -108.180 -53.964 26.944 1.00 0.00 N ATOM 573 CA CYS A 382 -108.236 -53.421 25.601 1.00 0.00 C ATOM 574 C CYS A 382 -107.542 -54.379 24.638 1.00 0.00 C ATOM 575 O CYS A 382 -107.080 -55.430 25.038 1.00 0.00 O ATOM 576 CB CYS A 382 -107.576 -52.036 25.558 1.00 0.00 C ATOM 577 SG CYS A 382 -107.805 -51.117 23.993 1.00 0.00 S ATOM 0 H CYS A 382 -107.481 -53.533 27.550 1.00 0.00 H new ATOM 0 HA CYS A 382 -109.277 -53.308 25.300 1.00 0.00 H new ATOM 0 HB2 CYS A 382 -107.974 -51.435 26.376 1.00 0.00 H new ATOM 0 HB3 CYS A 382 -106.508 -52.154 25.739 1.00 0.00 H new ATOM 0 HG CYS A 382 -106.759 -50.378 23.767 1.00 0.00 H new ATOM 582 N ARG A 383 -107.472 -54.016 23.391 1.00 0.00 N ATOM 583 CA ARG A 383 -106.849 -54.882 22.414 1.00 0.00 C ATOM 584 C ARG A 383 -105.400 -54.512 22.176 1.00 0.00 C ATOM 585 O ARG A 383 -104.587 -55.368 21.886 1.00 0.00 O ATOM 586 CB ARG A 383 -107.612 -54.877 21.092 1.00 0.00 C ATOM 587 CG ARG A 383 -107.907 -53.492 20.549 1.00 0.00 C ATOM 588 CD ARG A 383 -108.270 -53.545 19.079 1.00 0.00 C ATOM 589 NE ARG A 383 -107.080 -53.583 18.221 1.00 0.00 N ATOM 590 CZ ARG A 383 -107.103 -53.706 16.888 1.00 0.00 C ATOM 591 NH1 ARG A 383 -108.260 -53.845 16.242 1.00 0.00 N1+ ATOM 592 NH2 ARG A 383 -105.965 -53.693 16.202 1.00 0.00 N ATOM 0 H ARG A 383 -107.833 -53.136 23.022 1.00 0.00 H new ATOM 0 HA ARG A 383 -106.880 -55.890 22.828 1.00 0.00 H new ATOM 0 HB2 ARG A 383 -107.035 -55.430 20.351 1.00 0.00 H new ATOM 0 HB3 ARG A 383 -108.553 -55.410 21.227 1.00 0.00 H new ATOM 0 HG2 ARG A 383 -108.726 -53.045 21.112 1.00 0.00 H new ATOM 0 HG3 ARG A 383 -107.036 -52.851 20.688 1.00 0.00 H new ATOM 0 HD2 ARG A 383 -108.883 -54.426 18.888 1.00 0.00 H new ATOM 0 HD3 ARG A 383 -108.874 -52.675 18.823 1.00 0.00 H new ATOM 0 HE ARG A 383 -106.169 -53.510 18.673 1.00 0.00 H new ATOM 0 HH11 ARG A 383 -109.137 -53.858 16.763 1.00 0.00 H new ATOM 0 HH12 ARG A 383 -108.269 -53.938 15.226 1.00 0.00 H new ATOM 0 HH21 ARG A 383 -105.076 -53.589 16.691 1.00 0.00 H new ATOM 0 HH22 ARG A 383 -105.981 -53.787 15.186 1.00 0.00 H new ATOM 606 N ASN A 384 -105.083 -53.236 22.275 1.00 0.00 N ATOM 607 CA ASN A 384 -103.728 -52.789 22.028 1.00 0.00 C ATOM 608 C ASN A 384 -103.016 -52.437 23.317 1.00 0.00 C ATOM 609 O ASN A 384 -101.807 -52.179 23.324 1.00 0.00 O ATOM 610 CB ASN A 384 -103.705 -51.614 21.048 1.00 0.00 C ATOM 611 CG ASN A 384 -103.929 -52.053 19.603 1.00 0.00 C ATOM 612 OD1 ASN A 384 -104.642 -53.023 19.334 1.00 0.00 O ATOM 613 ND2 ASN A 384 -103.322 -51.348 18.666 1.00 0.00 N ATOM 0 H ASN A 384 -105.740 -52.496 22.523 1.00 0.00 H new ATOM 0 HA ASN A 384 -103.188 -53.618 21.571 1.00 0.00 H new ATOM 0 HB2 ASN A 384 -104.475 -50.895 21.329 1.00 0.00 H new ATOM 0 HB3 ASN A 384 -102.746 -51.101 21.124 1.00 0.00 H new ATOM 0 HD21 ASN A 384 -103.436 -51.600 17.684 1.00 0.00 H new ATOM 0 HD22 ASN A 384 -102.739 -50.551 18.924 1.00 0.00 H new ATOM 620 N CYS A 385 -103.759 -52.432 24.414 1.00 0.00 N ATOM 621 CA CYS A 385 -103.196 -52.092 25.705 1.00 0.00 C ATOM 622 C CYS A 385 -103.944 -52.769 26.830 1.00 0.00 C ATOM 623 O CYS A 385 -104.806 -53.609 26.609 1.00 0.00 O ATOM 624 CB CYS A 385 -103.224 -50.589 25.919 1.00 0.00 C ATOM 625 SG CYS A 385 -104.878 -49.861 25.827 1.00 0.00 S ATOM 0 H CYS A 385 -104.753 -52.660 24.432 1.00 0.00 H new ATOM 0 HA CYS A 385 -102.164 -52.443 25.711 1.00 0.00 H new ATOM 0 HB2 CYS A 385 -102.793 -50.364 26.895 1.00 0.00 H new ATOM 0 HB3 CYS A 385 -102.588 -50.114 25.172 1.00 0.00 H new ATOM 0 HG CYS A 385 -105.165 -49.592 24.588 1.00 0.00 H new ATOM 630 N LEU A 386 -103.622 -52.364 28.033 1.00 0.00 N ATOM 631 CA LEU A 386 -104.211 -52.920 29.225 1.00 0.00 C ATOM 632 C LEU A 386 -105.077 -51.871 29.923 1.00 0.00 C ATOM 633 O LEU A 386 -105.265 -51.914 31.137 1.00 0.00 O ATOM 634 CB LEU A 386 -103.097 -53.381 30.179 1.00 0.00 C ATOM 635 CG LEU A 386 -102.166 -54.511 29.682 1.00 0.00 C ATOM 636 CD1 LEU A 386 -102.953 -55.611 28.995 1.00 0.00 C ATOM 637 CD2 LEU A 386 -101.071 -53.968 28.769 1.00 0.00 C ATOM 0 H LEU A 386 -102.936 -51.631 28.214 1.00 0.00 H new ATOM 0 HA LEU A 386 -104.835 -53.770 28.950 1.00 0.00 H new ATOM 0 HB2 LEU A 386 -102.479 -52.516 30.421 1.00 0.00 H new ATOM 0 HB3 LEU A 386 -103.562 -53.710 31.108 1.00 0.00 H new ATOM 0 HG LEU A 386 -101.682 -54.945 30.557 1.00 0.00 H new ATOM 0 HD11 LEU A 386 -102.270 -56.390 28.657 1.00 0.00 H new ATOM 0 HD12 LEU A 386 -103.671 -56.037 29.696 1.00 0.00 H new ATOM 0 HD13 LEU A 386 -103.484 -55.197 28.138 1.00 0.00 H new ATOM 0 HD21 LEU A 386 -100.434 -54.788 28.437 1.00 0.00 H new ATOM 0 HD22 LEU A 386 -101.525 -53.488 27.902 1.00 0.00 H new ATOM 0 HD23 LEU A 386 -100.470 -53.240 29.314 1.00 0.00 H new ATOM 649 N GLN A 387 -105.628 -50.940 29.145 1.00 0.00 N ATOM 650 CA GLN A 387 -106.415 -49.834 29.709 1.00 0.00 C ATOM 651 C GLN A 387 -107.868 -50.215 30.045 1.00 0.00 C ATOM 652 O GLN A 387 -108.723 -49.346 30.207 1.00 0.00 O ATOM 653 CB GLN A 387 -106.352 -48.606 28.803 1.00 0.00 C ATOM 654 CG GLN A 387 -104.958 -47.996 28.737 1.00 0.00 C ATOM 655 CD GLN A 387 -104.878 -46.740 27.888 1.00 0.00 C ATOM 656 OE1 GLN A 387 -105.942 -45.955 27.872 1.00 0.00 O flip ATOM 657 NE2 GLN A 387 -103.849 -46.467 27.272 1.00 0.00 N flip ATOM 0 H GLN A 387 -105.547 -50.925 28.128 1.00 0.00 H new ATOM 0 HA GLN A 387 -105.952 -49.587 30.665 1.00 0.00 H new ATOM 0 HB2 GLN A 387 -106.671 -48.884 27.798 1.00 0.00 H new ATOM 0 HB3 GLN A 387 -107.056 -47.856 29.165 1.00 0.00 H new ATOM 0 HG2 GLN A 387 -104.626 -47.761 29.748 1.00 0.00 H new ATOM 0 HG3 GLN A 387 -104.266 -48.737 28.338 1.00 0.00 H new ATOM 0 HE21 GLN A 387 -103.049 -47.099 27.310 1.00 0.00 H new ATOM 0 HE22 GLN A 387 -103.795 -45.609 26.724 1.00 0.00 H new ATOM 666 N GLY A 388 -108.132 -51.506 30.155 1.00 0.00 N ATOM 667 CA GLY A 388 -109.439 -51.965 30.602 1.00 0.00 C ATOM 668 C GLY A 388 -110.552 -51.782 29.590 1.00 0.00 C ATOM 669 O GLY A 388 -111.631 -51.310 29.936 1.00 0.00 O ATOM 0 H GLY A 388 -107.467 -52.250 29.944 1.00 0.00 H new ATOM 0 HA2 GLY A 388 -109.370 -53.022 30.859 1.00 0.00 H new ATOM 0 HA3 GLY A 388 -109.704 -51.431 31.515 1.00 0.00 H new ATOM 673 N TYR A 389 -110.278 -52.144 28.346 1.00 0.00 N ATOM 674 CA TYR A 389 -111.276 -52.126 27.269 1.00 0.00 C ATOM 675 C TYR A 389 -111.861 -50.729 27.027 1.00 0.00 C ATOM 676 O TYR A 389 -112.821 -50.317 27.683 1.00 0.00 O ATOM 677 CB TYR A 389 -112.403 -53.126 27.565 1.00 0.00 C ATOM 678 CG TYR A 389 -113.107 -53.639 26.332 1.00 0.00 C ATOM 679 CD1 TYR A 389 -114.065 -52.878 25.675 1.00 0.00 C ATOM 680 CD2 TYR A 389 -112.805 -54.889 25.824 1.00 0.00 C ATOM 681 CE1 TYR A 389 -114.701 -53.355 24.545 1.00 0.00 C ATOM 682 CE2 TYR A 389 -113.430 -55.375 24.700 1.00 0.00 C ATOM 683 CZ TYR A 389 -114.379 -54.606 24.061 1.00 0.00 C ATOM 684 OH TYR A 389 -115.005 -55.088 22.937 1.00 0.00 O ATOM 0 H TYR A 389 -109.356 -52.461 28.046 1.00 0.00 H new ATOM 0 HA TYR A 389 -110.758 -52.420 26.356 1.00 0.00 H new ATOM 0 HB2 TYR A 389 -111.989 -53.972 28.113 1.00 0.00 H new ATOM 0 HB3 TYR A 389 -113.135 -52.650 28.218 1.00 0.00 H new ATOM 0 HD1 TYR A 389 -114.317 -51.898 26.053 1.00 0.00 H new ATOM 0 HD2 TYR A 389 -112.063 -55.496 26.321 1.00 0.00 H new ATOM 0 HE1 TYR A 389 -115.445 -52.753 24.044 1.00 0.00 H new ATOM 0 HE2 TYR A 389 -113.179 -56.354 24.320 1.00 0.00 H new ATOM 0 HH TYR A 389 -115.207 -56.039 23.058 1.00 0.00 H new ATOM 694 N HIS A 390 -111.283 -50.017 26.087 1.00 0.00 N ATOM 695 CA HIS A 390 -111.770 -48.697 25.712 1.00 0.00 C ATOM 696 C HIS A 390 -111.831 -48.605 24.193 1.00 0.00 C ATOM 697 O HIS A 390 -111.809 -49.636 23.519 1.00 0.00 O ATOM 698 CB HIS A 390 -110.878 -47.582 26.310 1.00 0.00 C ATOM 699 CG HIS A 390 -109.459 -47.580 25.820 1.00 0.00 C ATOM 700 ND1 HIS A 390 -108.892 -46.543 25.112 1.00 0.00 N ATOM 701 CD2 HIS A 390 -108.493 -48.513 25.951 1.00 0.00 C ATOM 702 CE1 HIS A 390 -107.627 -46.878 24.838 1.00 0.00 C ATOM 703 NE2 HIS A 390 -107.335 -48.067 25.327 1.00 0.00 N ATOM 0 H HIS A 390 -110.467 -50.328 25.560 1.00 0.00 H new ATOM 0 HA HIS A 390 -112.771 -48.552 26.118 1.00 0.00 H new ATOM 0 HB2 HIS A 390 -111.327 -46.615 26.082 1.00 0.00 H new ATOM 0 HB3 HIS A 390 -110.873 -47.683 27.395 1.00 0.00 H new ATOM 0 HD2 HIS A 390 -108.603 -49.459 26.461 1.00 0.00 H new ATOM 0 HE1 HIS A 390 -106.935 -46.256 24.289 1.00 0.00 H new ATOM 0 HE2 HIS A 390 -106.443 -48.558 25.261 1.00 0.00 H new ATOM 711 N ILE A 391 -111.917 -47.397 23.660 1.00 0.00 N ATOM 712 CA ILE A 391 -111.964 -47.207 22.216 1.00 0.00 C ATOM 713 C ILE A 391 -110.654 -47.699 21.565 1.00 0.00 C ATOM 714 O ILE A 391 -109.615 -47.776 22.231 1.00 0.00 O ATOM 715 CB ILE A 391 -112.225 -45.721 21.855 1.00 0.00 C ATOM 716 CG1 ILE A 391 -112.540 -45.579 20.365 1.00 0.00 C ATOM 717 CG2 ILE A 391 -111.031 -44.853 22.243 1.00 0.00 C ATOM 718 CD1 ILE A 391 -112.983 -44.197 19.968 1.00 0.00 C ATOM 0 H ILE A 391 -111.956 -46.534 24.202 1.00 0.00 H new ATOM 0 HA ILE A 391 -112.792 -47.798 21.825 1.00 0.00 H new ATOM 0 HB ILE A 391 -113.090 -45.377 22.421 1.00 0.00 H new ATOM 0 HG12 ILE A 391 -111.654 -45.846 19.789 1.00 0.00 H new ATOM 0 HG13 ILE A 391 -113.321 -46.291 20.099 1.00 0.00 H new ATOM 0 HG21 ILE A 391 -111.235 -43.815 21.981 1.00 0.00 H new ATOM 0 HG22 ILE A 391 -110.859 -44.929 23.317 1.00 0.00 H new ATOM 0 HG23 ILE A 391 -110.144 -45.194 21.709 1.00 0.00 H new ATOM 0 HD11 ILE A 391 -113.188 -44.174 18.898 1.00 0.00 H new ATOM 0 HD12 ILE A 391 -113.887 -43.933 20.517 1.00 0.00 H new ATOM 0 HD13 ILE A 391 -112.195 -43.481 20.202 1.00 0.00 H new ATOM 730 N GLY A 392 -110.710 -48.026 20.275 1.00 0.00 N ATOM 731 CA GLY A 392 -109.543 -48.552 19.569 1.00 0.00 C ATOM 732 C GLY A 392 -108.499 -47.494 19.235 1.00 0.00 C ATOM 733 O GLY A 392 -108.001 -47.434 18.104 1.00 0.00 O ATOM 0 H GLY A 392 -111.547 -47.937 19.699 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -109.079 -49.327 20.179 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -109.873 -49.028 18.646 1.00 0.00 H new ATOM 737 N GLU A 393 -108.168 -46.673 20.206 1.00 0.00 N ATOM 738 CA GLU A 393 -107.155 -45.647 20.047 1.00 0.00 C ATOM 739 C GLU A 393 -106.256 -45.636 21.254 1.00 0.00 C ATOM 740 O GLU A 393 -106.661 -45.216 22.339 1.00 0.00 O ATOM 741 CB GLU A 393 -107.784 -44.276 19.839 1.00 0.00 C ATOM 742 CG GLU A 393 -108.520 -44.149 18.525 1.00 0.00 C ATOM 743 CD GLU A 393 -109.129 -42.784 18.319 1.00 0.00 C ATOM 744 OE1 GLU A 393 -108.422 -41.887 17.818 1.00 0.00 O ATOM 745 OE2 GLU A 393 -110.324 -42.605 18.636 1.00 0.00 O1- ATOM 0 H GLU A 393 -108.594 -46.696 21.133 1.00 0.00 H new ATOM 0 HA GLU A 393 -106.566 -45.877 19.159 1.00 0.00 H new ATOM 0 HB2 GLU A 393 -108.476 -44.074 20.656 1.00 0.00 H new ATOM 0 HB3 GLU A 393 -107.005 -43.515 19.886 1.00 0.00 H new ATOM 0 HG2 GLU A 393 -107.831 -44.360 17.707 1.00 0.00 H new ATOM 0 HG3 GLU A 393 -109.307 -44.902 18.482 1.00 0.00 H new ATOM 752 N CYS A 394 -105.047 -46.110 21.071 1.00 0.00 N ATOM 753 CA CYS A 394 -104.102 -46.223 22.170 1.00 0.00 C ATOM 754 C CYS A 394 -102.724 -45.745 21.743 1.00 0.00 C ATOM 755 O CYS A 394 -102.236 -44.717 22.208 1.00 0.00 O ATOM 756 CB CYS A 394 -104.009 -47.683 22.630 1.00 0.00 C ATOM 757 SG CYS A 394 -105.543 -48.642 22.385 1.00 0.00 S ATOM 0 H CYS A 394 -104.688 -46.426 20.170 1.00 0.00 H new ATOM 0 HA CYS A 394 -104.456 -45.599 22.991 1.00 0.00 H new ATOM 0 HB2 CYS A 394 -103.198 -48.172 22.090 1.00 0.00 H new ATOM 0 HB3 CYS A 394 -103.746 -47.703 23.688 1.00 0.00 H new ATOM 0 HG CYS A 394 -106.327 -48.476 23.409 1.00 0.00 H new ATOM 1275 N VAL A 431 -56.556 -28.460 -42.655 1.00 0.00 N ATOM 1276 CA VAL A 431 -57.584 -27.497 -42.319 1.00 0.00 C ATOM 1277 C VAL A 431 -58.898 -28.202 -41.952 1.00 0.00 C ATOM 1278 O VAL A 431 -59.665 -28.636 -42.813 1.00 0.00 O ATOM 1279 CB VAL A 431 -57.806 -26.444 -43.452 1.00 0.00 C ATOM 1280 CG1 VAL A 431 -58.110 -27.109 -44.790 1.00 0.00 C ATOM 1281 CG2 VAL A 431 -58.912 -25.464 -43.072 1.00 0.00 C ATOM 0 HA VAL A 431 -57.233 -26.949 -41.445 1.00 0.00 H new ATOM 0 HB VAL A 431 -56.876 -25.888 -43.567 1.00 0.00 H new ATOM 0 HG11 VAL A 431 -58.258 -26.343 -45.552 1.00 0.00 H new ATOM 0 HG12 VAL A 431 -57.275 -27.749 -45.076 1.00 0.00 H new ATOM 0 HG13 VAL A 431 -59.014 -27.711 -44.700 1.00 0.00 H new ATOM 0 HG21 VAL A 431 -59.049 -24.740 -43.876 1.00 0.00 H new ATOM 0 HG22 VAL A 431 -59.842 -26.009 -42.912 1.00 0.00 H new ATOM 0 HG23 VAL A 431 -58.636 -24.941 -42.156 1.00 0.00 H new ATOM 1291 N SER A 432 -59.119 -28.358 -40.667 1.00 0.00 N ATOM 1292 CA SER A 432 -60.325 -28.978 -40.166 1.00 0.00 C ATOM 1293 C SER A 432 -61.308 -27.917 -39.691 1.00 0.00 C ATOM 1294 O SER A 432 -62.370 -28.223 -39.153 1.00 0.00 O ATOM 1295 CB SER A 432 -59.974 -29.943 -39.032 1.00 0.00 C ATOM 1296 OG SER A 432 -59.074 -29.338 -38.113 1.00 0.00 O ATOM 0 H SER A 432 -58.469 -28.059 -39.940 1.00 0.00 H new ATOM 0 HA SER A 432 -60.800 -29.541 -40.969 1.00 0.00 H new ATOM 0 HB2 SER A 432 -60.883 -30.245 -38.512 1.00 0.00 H new ATOM 0 HB3 SER A 432 -59.526 -30.847 -39.444 1.00 0.00 H new ATOM 0 HG SER A 432 -58.864 -29.972 -37.395 1.00 0.00 H new ATOM 1302 N THR A 433 -60.946 -26.672 -39.896 1.00 0.00 N ATOM 1303 CA THR A 433 -61.758 -25.565 -39.486 1.00 0.00 C ATOM 1304 C THR A 433 -62.638 -25.058 -40.627 1.00 0.00 C ATOM 1305 O THR A 433 -62.329 -25.250 -41.809 1.00 0.00 O ATOM 1306 CB THR A 433 -60.874 -24.423 -38.966 1.00 0.00 C ATOM 1307 OG1 THR A 433 -59.694 -24.323 -39.782 1.00 0.00 O ATOM 1308 CG2 THR A 433 -60.481 -24.669 -37.519 1.00 0.00 C ATOM 0 H THR A 433 -60.075 -26.404 -40.354 1.00 0.00 H new ATOM 0 HA THR A 433 -62.411 -25.914 -38.686 1.00 0.00 H new ATOM 0 HB THR A 433 -61.435 -23.490 -39.017 1.00 0.00 H new ATOM 0 HG1 THR A 433 -59.129 -23.593 -39.452 1.00 0.00 H new ATOM 0 HG21 THR A 433 -59.855 -23.849 -37.168 1.00 0.00 H new ATOM 0 HG22 THR A 433 -61.379 -24.729 -36.903 1.00 0.00 H new ATOM 0 HG23 THR A 433 -59.928 -25.605 -37.446 1.00 0.00 H new ATOM 1316 N LYS A 434 -63.741 -24.448 -40.265 1.00 0.00 N ATOM 1317 CA LYS A 434 -64.657 -23.858 -41.219 1.00 0.00 C ATOM 1318 C LYS A 434 -64.721 -22.359 -40.977 1.00 0.00 C ATOM 1319 O LYS A 434 -64.696 -21.920 -39.829 1.00 0.00 O ATOM 1320 CB LYS A 434 -66.054 -24.476 -41.065 1.00 0.00 C ATOM 1321 CG LYS A 434 -66.139 -25.966 -41.406 1.00 0.00 C ATOM 1322 CD LYS A 434 -66.481 -26.213 -42.881 1.00 0.00 C ATOM 1323 CE LYS A 434 -65.359 -25.810 -43.835 1.00 0.00 C ATOM 1324 NZ LYS A 434 -64.105 -26.565 -43.588 1.00 0.00 N1+ ATOM 0 H LYS A 434 -64.033 -24.345 -39.293 1.00 0.00 H new ATOM 0 HA LYS A 434 -64.305 -24.053 -42.232 1.00 0.00 H new ATOM 0 HB2 LYS A 434 -66.387 -24.334 -40.037 1.00 0.00 H new ATOM 0 HB3 LYS A 434 -66.749 -23.931 -41.704 1.00 0.00 H new ATOM 0 HG2 LYS A 434 -65.188 -26.444 -41.172 1.00 0.00 H new ATOM 0 HG3 LYS A 434 -66.895 -26.437 -40.777 1.00 0.00 H new ATOM 0 HD2 LYS A 434 -66.707 -27.270 -43.023 1.00 0.00 H new ATOM 0 HD3 LYS A 434 -67.383 -25.657 -43.136 1.00 0.00 H new ATOM 0 HE2 LYS A 434 -65.683 -25.976 -44.862 1.00 0.00 H new ATOM 0 HE3 LYS A 434 -65.163 -24.743 -43.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 -63.595 -26.695 -44.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 -63.506 -26.035 -42.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 -64.334 -27.495 -43.183 1.00 0.00 H new ATOM 1338 N PRO A 435 -64.775 -21.553 -42.040 1.00 0.00 N ATOM 1339 CA PRO A 435 -64.835 -20.107 -41.907 1.00 0.00 C ATOM 1340 C PRO A 435 -66.245 -19.606 -41.615 1.00 0.00 C ATOM 1341 O PRO A 435 -67.192 -19.907 -42.351 1.00 0.00 O ATOM 1342 CB PRO A 435 -64.359 -19.607 -43.268 1.00 0.00 C ATOM 1343 CG PRO A 435 -64.746 -20.684 -44.231 1.00 0.00 C ATOM 1344 CD PRO A 435 -64.772 -21.982 -43.454 1.00 0.00 C ATOM 0 HA PRO A 435 -64.232 -19.750 -41.072 1.00 0.00 H new ATOM 0 HB2 PRO A 435 -64.829 -18.658 -43.527 1.00 0.00 H new ATOM 0 HB3 PRO A 435 -63.282 -19.441 -43.273 1.00 0.00 H new ATOM 0 HG2 PRO A 435 -65.722 -20.477 -44.669 1.00 0.00 H new ATOM 0 HG3 PRO A 435 -64.033 -20.741 -45.053 1.00 0.00 H new ATOM 0 HD2 PRO A 435 -65.656 -22.573 -43.694 1.00 0.00 H new ATOM 0 HD3 PRO A 435 -63.904 -22.601 -43.681 1.00 0.00 H new ATOM 1352 N CYS A 436 -66.383 -18.863 -40.532 1.00 0.00 N ATOM 1353 CA CYS A 436 -67.658 -18.279 -40.169 1.00 0.00 C ATOM 1354 C CYS A 436 -68.093 -17.267 -41.230 1.00 0.00 C ATOM 1355 O CYS A 436 -67.292 -16.455 -41.679 1.00 0.00 O ATOM 1356 CB CYS A 436 -67.554 -17.595 -38.801 1.00 0.00 C ATOM 1357 SG CYS A 436 -69.075 -16.752 -38.262 1.00 0.00 S ATOM 0 H CYS A 436 -65.623 -18.650 -39.887 1.00 0.00 H new ATOM 0 HA CYS A 436 -68.404 -19.071 -40.111 1.00 0.00 H new ATOM 0 HB2 CYS A 436 -67.284 -18.342 -38.055 1.00 0.00 H new ATOM 0 HB3 CYS A 436 -66.742 -16.868 -38.833 1.00 0.00 H new ATOM 0 HG CYS A 436 -68.782 -15.861 -37.362 1.00 0.00 H new ATOM 1362 N PRO A 437 -69.362 -17.303 -41.647 1.00 0.00 N ATOM 1363 CA PRO A 437 -69.887 -16.349 -42.628 1.00 0.00 C ATOM 1364 C PRO A 437 -70.051 -14.951 -42.020 1.00 0.00 C ATOM 1365 O PRO A 437 -70.396 -13.990 -42.710 1.00 0.00 O ATOM 1366 CB PRO A 437 -71.251 -16.937 -43.001 1.00 0.00 C ATOM 1367 CG PRO A 437 -71.653 -17.749 -41.818 1.00 0.00 C ATOM 1368 CD PRO A 437 -70.380 -18.280 -41.215 1.00 0.00 C ATOM 0 HA PRO A 437 -69.223 -16.221 -43.483 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -71.978 -16.151 -43.206 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -71.184 -17.552 -43.899 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -72.200 -17.141 -41.097 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -72.313 -18.565 -42.113 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -70.444 -18.339 -40.129 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -70.153 -19.283 -41.576 1.00 0.00 H new ATOM 1376 N LYS A 438 -69.800 -14.855 -40.726 1.00 0.00 N ATOM 1377 CA LYS A 438 -69.902 -13.601 -40.005 1.00 0.00 C ATOM 1378 C LYS A 438 -68.527 -12.978 -39.790 1.00 0.00 C ATOM 1379 O LYS A 438 -68.156 -12.011 -40.456 1.00 0.00 O ATOM 1380 CB LYS A 438 -70.557 -13.833 -38.651 1.00 0.00 C ATOM 1381 CG LYS A 438 -72.035 -14.173 -38.700 1.00 0.00 C ATOM 1382 CD LYS A 438 -72.898 -12.924 -38.783 1.00 0.00 C ATOM 1383 CE LYS A 438 -72.616 -11.963 -37.626 1.00 0.00 C ATOM 1384 NZ LYS A 438 -72.640 -12.648 -36.297 1.00 0.00 N1+ ATOM 0 H LYS A 438 -69.520 -15.646 -40.146 1.00 0.00 H new ATOM 0 HA LYS A 438 -70.508 -12.920 -40.602 1.00 0.00 H new ATOM 0 HB2 LYS A 438 -70.031 -14.642 -38.144 1.00 0.00 H new ATOM 0 HB3 LYS A 438 -70.426 -12.938 -38.043 1.00 0.00 H new ATOM 0 HG2 LYS A 438 -72.233 -14.810 -39.562 1.00 0.00 H new ATOM 0 HG3 LYS A 438 -72.306 -14.744 -37.812 1.00 0.00 H new ATOM 0 HD2 LYS A 438 -72.714 -12.417 -39.730 1.00 0.00 H new ATOM 0 HD3 LYS A 438 -73.950 -13.208 -38.772 1.00 0.00 H new ATOM 0 HE2 LYS A 438 -71.642 -11.497 -37.774 1.00 0.00 H new ATOM 0 HE3 LYS A 438 -73.357 -11.163 -37.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 -72.801 -11.945 -35.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 -73.406 -13.351 -36.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 -71.730 -13.124 -36.135 1.00 0.00 H new ATOM 1398 N CYS A 439 -67.769 -13.554 -38.863 1.00 0.00 N ATOM 1399 CA CYS A 439 -66.464 -13.031 -38.499 1.00 0.00 C ATOM 1400 C CYS A 439 -65.336 -13.718 -39.261 1.00 0.00 C ATOM 1401 O CYS A 439 -64.176 -13.298 -39.172 1.00 0.00 O ATOM 1402 CB CYS A 439 -66.259 -13.166 -36.996 1.00 0.00 C ATOM 1403 SG CYS A 439 -66.756 -14.767 -36.326 1.00 0.00 S ATOM 0 H CYS A 439 -68.042 -14.391 -38.348 1.00 0.00 H new ATOM 0 HA CYS A 439 -66.436 -11.977 -38.776 1.00 0.00 H new ATOM 0 HB2 CYS A 439 -65.206 -12.999 -36.767 1.00 0.00 H new ATOM 0 HB3 CYS A 439 -66.823 -12.382 -36.491 1.00 0.00 H new ATOM 0 HG CYS A 439 -68.003 -14.717 -35.962 1.00 0.00 H new ATOM 1408 N ARG A 440 -65.681 -14.770 -40.001 1.00 0.00 N ATOM 1409 CA ARG A 440 -64.712 -15.527 -40.803 1.00 0.00 C ATOM 1410 C ARG A 440 -63.641 -16.154 -39.933 1.00 0.00 C ATOM 1411 O ARG A 440 -62.499 -16.340 -40.358 1.00 0.00 O ATOM 1412 CB ARG A 440 -64.099 -14.643 -41.877 1.00 0.00 C ATOM 1413 CG ARG A 440 -65.126 -14.131 -42.866 1.00 0.00 C ATOM 1414 CD ARG A 440 -64.480 -13.382 -44.002 1.00 0.00 C ATOM 1415 NE ARG A 440 -65.481 -12.791 -44.894 1.00 0.00 N ATOM 1416 CZ ARG A 440 -65.516 -12.964 -46.220 1.00 0.00 C ATOM 1417 NH1 ARG A 440 -64.613 -13.736 -46.823 1.00 0.00 N1+ ATOM 1418 NH2 ARG A 440 -66.464 -12.374 -46.940 1.00 0.00 N ATOM 0 H ARG A 440 -66.636 -15.124 -40.064 1.00 0.00 H new ATOM 0 HA ARG A 440 -65.247 -16.340 -41.295 1.00 0.00 H new ATOM 0 HB2 ARG A 440 -63.601 -13.796 -41.405 1.00 0.00 H new ATOM 0 HB3 ARG A 440 -63.334 -15.205 -42.412 1.00 0.00 H new ATOM 0 HG2 ARG A 440 -65.699 -14.969 -43.262 1.00 0.00 H new ATOM 0 HG3 ARG A 440 -65.831 -13.477 -42.353 1.00 0.00 H new ATOM 0 HD2 ARG A 440 -63.838 -12.597 -43.603 1.00 0.00 H new ATOM 0 HD3 ARG A 440 -63.841 -14.059 -44.569 1.00 0.00 H new ATOM 0 HE ARG A 440 -66.203 -12.206 -44.474 1.00 0.00 H new ATOM 0 HH11 ARG A 440 -63.889 -14.199 -46.273 1.00 0.00 H new ATOM 0 HH12 ARG A 440 -64.645 -13.864 -47.834 1.00 0.00 H new ATOM 0 HH21 ARG A 440 -67.164 -11.790 -46.482 1.00 0.00 H new ATOM 0 HH22 ARG A 440 -66.492 -12.505 -47.951 1.00 0.00 H new ATOM 1432 N THR A 441 -64.028 -16.509 -38.730 1.00 0.00 N ATOM 1433 CA THR A 441 -63.128 -17.125 -37.790 1.00 0.00 C ATOM 1434 C THR A 441 -63.070 -18.630 -38.029 1.00 0.00 C ATOM 1435 O THR A 441 -63.998 -19.206 -38.600 1.00 0.00 O ATOM 1436 CB THR A 441 -63.565 -16.824 -36.344 1.00 0.00 C ATOM 1437 OG1 THR A 441 -64.967 -17.089 -36.193 1.00 0.00 O ATOM 1438 CG2 THR A 441 -63.278 -15.369 -36.004 1.00 0.00 C ATOM 0 H THR A 441 -64.976 -16.378 -38.378 1.00 0.00 H new ATOM 0 HA THR A 441 -62.131 -16.709 -37.938 1.00 0.00 H new ATOM 0 HB THR A 441 -63.003 -17.465 -35.665 1.00 0.00 H new ATOM 0 HG1 THR A 441 -65.481 -16.308 -36.486 1.00 0.00 H new ATOM 0 HG21 THR A 441 -63.591 -15.166 -34.980 1.00 0.00 H new ATOM 0 HG22 THR A 441 -62.210 -15.176 -36.102 1.00 0.00 H new ATOM 0 HG23 THR A 441 -63.828 -14.721 -36.686 1.00 0.00 H new ATOM 1446 N PRO A 442 -61.961 -19.279 -37.654 1.00 0.00 N ATOM 1447 CA PRO A 442 -61.795 -20.715 -37.847 1.00 0.00 C ATOM 1448 C PRO A 442 -62.575 -21.548 -36.822 1.00 0.00 C ATOM 1449 O PRO A 442 -62.096 -21.811 -35.716 1.00 0.00 O ATOM 1450 CB PRO A 442 -60.289 -20.919 -37.682 1.00 0.00 C ATOM 1451 CG PRO A 442 -59.860 -19.828 -36.762 1.00 0.00 C ATOM 1452 CD PRO A 442 -60.772 -18.660 -37.029 1.00 0.00 C ATOM 0 HA PRO A 442 -62.181 -21.042 -38.812 1.00 0.00 H new ATOM 0 HB2 PRO A 442 -60.065 -21.901 -37.264 1.00 0.00 H new ATOM 0 HB3 PRO A 442 -59.773 -20.855 -38.640 1.00 0.00 H new ATOM 0 HG2 PRO A 442 -59.932 -20.147 -35.722 1.00 0.00 H new ATOM 0 HG3 PRO A 442 -58.820 -19.557 -36.941 1.00 0.00 H new ATOM 0 HD2 PRO A 442 -61.031 -18.135 -36.109 1.00 0.00 H new ATOM 0 HD3 PRO A 442 -60.305 -17.931 -37.691 1.00 0.00 H new ATOM 1460 N THR A 443 -63.780 -21.937 -37.189 1.00 0.00 N ATOM 1461 CA THR A 443 -64.610 -22.763 -36.340 1.00 0.00 C ATOM 1462 C THR A 443 -64.217 -24.229 -36.510 1.00 0.00 C ATOM 1463 O THR A 443 -64.238 -24.755 -37.625 1.00 0.00 O ATOM 1464 CB THR A 443 -66.095 -22.596 -36.709 1.00 0.00 C ATOM 1465 OG1 THR A 443 -66.413 -21.202 -36.813 1.00 0.00 O ATOM 1466 CG2 THR A 443 -66.993 -23.242 -35.662 1.00 0.00 C ATOM 0 H THR A 443 -64.209 -21.690 -38.081 1.00 0.00 H new ATOM 0 HA THR A 443 -64.463 -22.454 -35.305 1.00 0.00 H new ATOM 0 HB THR A 443 -66.267 -23.089 -37.666 1.00 0.00 H new ATOM 0 HG1 THR A 443 -67.358 -21.099 -37.050 1.00 0.00 H new ATOM 0 HG21 THR A 443 -68.037 -23.110 -35.946 1.00 0.00 H new ATOM 0 HG22 THR A 443 -66.767 -24.306 -35.595 1.00 0.00 H new ATOM 0 HG23 THR A 443 -66.819 -22.773 -34.694 1.00 0.00 H new ATOM 1474 N GLU A 444 -63.846 -24.879 -35.419 1.00 0.00 N ATOM 1475 CA GLU A 444 -63.431 -26.275 -35.475 1.00 0.00 C ATOM 1476 C GLU A 444 -64.630 -27.190 -35.714 1.00 0.00 C ATOM 1477 O GLU A 444 -65.766 -26.828 -35.405 1.00 0.00 O ATOM 1478 CB GLU A 444 -62.684 -26.662 -34.202 1.00 0.00 C ATOM 1479 CG GLU A 444 -61.501 -25.753 -33.911 1.00 0.00 C ATOM 1480 CD GLU A 444 -60.610 -26.274 -32.815 1.00 0.00 C ATOM 1481 OE1 GLU A 444 -60.913 -26.032 -31.625 1.00 0.00 O1- ATOM 1482 OE2 GLU A 444 -59.592 -26.915 -33.136 1.00 0.00 O ATOM 0 H GLU A 444 -63.823 -24.466 -34.487 1.00 0.00 H new ATOM 0 HA GLU A 444 -62.749 -26.398 -36.316 1.00 0.00 H new ATOM 0 HB2 GLU A 444 -63.374 -26.633 -33.359 1.00 0.00 H new ATOM 0 HB3 GLU A 444 -62.333 -27.690 -34.291 1.00 0.00 H new ATOM 0 HG2 GLU A 444 -60.913 -25.629 -34.821 1.00 0.00 H new ATOM 0 HG3 GLU A 444 -61.869 -24.766 -33.633 1.00 0.00 H new ATOM 1489 N ARG A 445 -64.375 -28.366 -36.263 1.00 0.00 N ATOM 1490 CA ARG A 445 -65.447 -29.293 -36.608 1.00 0.00 C ATOM 1491 C ARG A 445 -65.353 -30.579 -35.800 1.00 0.00 C ATOM 1492 O ARG A 445 -64.284 -30.936 -35.293 1.00 0.00 O ATOM 1493 CB ARG A 445 -65.378 -29.649 -38.101 1.00 0.00 C ATOM 1494 CG ARG A 445 -64.208 -30.574 -38.440 1.00 0.00 C ATOM 1495 CD ARG A 445 -64.130 -30.906 -39.919 1.00 0.00 C ATOM 1496 NE ARG A 445 -63.052 -31.869 -40.194 1.00 0.00 N ATOM 1497 CZ ARG A 445 -62.324 -31.902 -41.318 1.00 0.00 C ATOM 1498 NH1 ARG A 445 -62.541 -31.021 -42.285 1.00 0.00 N1+ ATOM 1499 NH2 ARG A 445 -61.369 -32.816 -41.465 1.00 0.00 N ATOM 0 H ARG A 445 -63.437 -28.704 -36.480 1.00 0.00 H new ATOM 0 HA ARG A 445 -66.391 -28.798 -36.379 1.00 0.00 H new ATOM 0 HB2 ARG A 445 -66.311 -30.128 -38.398 1.00 0.00 H new ATOM 0 HB3 ARG A 445 -65.290 -28.732 -38.684 1.00 0.00 H new ATOM 0 HG2 ARG A 445 -63.276 -30.102 -38.129 1.00 0.00 H new ATOM 0 HG3 ARG A 445 -64.304 -31.498 -37.870 1.00 0.00 H new ATOM 0 HD2 ARG A 445 -65.083 -31.318 -40.252 1.00 0.00 H new ATOM 0 HD3 ARG A 445 -63.960 -29.993 -40.490 1.00 0.00 H new ATOM 0 HE ARG A 445 -62.844 -32.563 -39.476 1.00 0.00 H new ATOM 0 HH11 ARG A 445 -63.266 -30.312 -42.176 1.00 0.00 H new ATOM 0 HH12 ARG A 445 -61.983 -31.052 -43.138 1.00 0.00 H new ATOM 0 HH21 ARG A 445 -61.191 -33.492 -40.722 1.00 0.00 H new ATOM 0 HH22 ARG A 445 -60.815 -32.841 -42.321 1.00 0.00 H new ATOM 1513 N ASP A 446 -66.472 -31.263 -35.689 1.00 0.00 N ATOM 1514 CA ASP A 446 -66.525 -32.569 -35.071 1.00 0.00 C ATOM 1515 C ASP A 446 -67.525 -33.418 -35.832 1.00 0.00 C ATOM 1516 O ASP A 446 -68.584 -32.934 -36.229 1.00 0.00 O ATOM 1517 CB ASP A 446 -66.890 -32.493 -33.569 1.00 0.00 C ATOM 1518 CG ASP A 446 -68.359 -32.208 -33.299 1.00 0.00 C ATOM 1519 OD1 ASP A 446 -69.152 -33.180 -33.184 1.00 0.00 O1- ATOM 1520 OD2 ASP A 446 -68.726 -31.021 -33.171 1.00 0.00 O ATOM 0 H ASP A 446 -67.374 -30.927 -36.027 1.00 0.00 H new ATOM 0 HA ASP A 446 -65.535 -33.022 -35.119 1.00 0.00 H new ATOM 0 HB2 ASP A 446 -66.621 -33.436 -33.093 1.00 0.00 H new ATOM 0 HB3 ASP A 446 -66.288 -31.715 -33.099 1.00 0.00 H new ATOM 1525 N GLY A 447 -67.184 -34.665 -36.065 1.00 0.00 N ATOM 1526 CA GLY A 447 -68.056 -35.534 -36.821 1.00 0.00 C ATOM 1527 C GLY A 447 -69.049 -36.245 -35.942 1.00 0.00 C ATOM 1528 O GLY A 447 -69.174 -37.470 -35.995 1.00 0.00 O ATOM 0 H GLY A 447 -66.317 -35.097 -35.745 1.00 0.00 H new ATOM 0 HA2 GLY A 447 -68.590 -34.949 -37.570 1.00 0.00 H new ATOM 0 HA3 GLY A 447 -67.457 -36.269 -37.358 1.00 0.00 H new ATOM 1532 N GLY A 448 -69.746 -35.484 -35.126 1.00 0.00 N ATOM 1533 CA GLY A 448 -70.716 -36.057 -34.238 1.00 0.00 C ATOM 1534 C GLY A 448 -71.975 -35.245 -34.178 1.00 0.00 C ATOM 1535 O GLY A 448 -73.066 -35.757 -34.452 1.00 0.00 O ATOM 0 H GLY A 448 -69.655 -34.470 -35.064 1.00 0.00 H new ATOM 0 HA2 GLY A 448 -70.953 -37.069 -34.565 1.00 0.00 H new ATOM 0 HA3 GLY A 448 -70.289 -36.137 -33.238 1.00 0.00 H new ATOM 1539 N CYS A 449 -71.838 -33.979 -33.842 1.00 0.00 N ATOM 1540 CA CYS A 449 -72.987 -33.108 -33.731 1.00 0.00 C ATOM 1541 C CYS A 449 -73.377 -32.564 -35.098 1.00 0.00 C ATOM 1542 O CYS A 449 -72.768 -32.907 -36.120 1.00 0.00 O ATOM 1543 CB CYS A 449 -72.700 -31.951 -32.765 1.00 0.00 C ATOM 1544 SG CYS A 449 -71.576 -30.694 -33.413 1.00 0.00 S ATOM 0 H CYS A 449 -70.943 -33.532 -33.642 1.00 0.00 H new ATOM 0 HA CYS A 449 -73.818 -33.692 -33.335 1.00 0.00 H new ATOM 0 HB2 CYS A 449 -73.643 -31.474 -32.499 1.00 0.00 H new ATOM 0 HB3 CYS A 449 -72.278 -32.358 -31.846 1.00 0.00 H new ATOM 0 HG CYS A 449 -70.378 -30.907 -32.956 1.00 0.00 H new ATOM 1550 N MET A 450 -74.401 -31.739 -35.121 1.00 0.00 N ATOM 1551 CA MET A 450 -74.845 -31.124 -36.349 1.00 0.00 C ATOM 1552 C MET A 450 -75.127 -29.651 -36.121 1.00 0.00 C ATOM 1553 O MET A 450 -75.257 -28.871 -37.065 1.00 0.00 O ATOM 1554 CB MET A 450 -76.079 -31.833 -36.874 1.00 0.00 C ATOM 1555 CG MET A 450 -76.472 -31.427 -38.280 1.00 0.00 C ATOM 1556 SD MET A 450 -77.710 -32.521 -38.978 1.00 0.00 S ATOM 1557 CE MET A 450 -76.853 -34.092 -38.862 1.00 0.00 C ATOM 0 H MET A 450 -74.943 -31.479 -34.297 1.00 0.00 H new ATOM 0 HA MET A 450 -74.056 -31.212 -37.096 1.00 0.00 H new ATOM 0 HB2 MET A 450 -75.904 -32.909 -36.853 1.00 0.00 H new ATOM 0 HB3 MET A 450 -76.914 -31.633 -36.202 1.00 0.00 H new ATOM 0 HG2 MET A 450 -76.856 -30.407 -38.268 1.00 0.00 H new ATOM 0 HG3 MET A 450 -75.588 -31.428 -38.917 1.00 0.00 H new ATOM 0 HE1 MET A 450 -77.546 -34.902 -39.088 1.00 0.00 H new ATOM 0 HE2 MET A 450 -76.029 -34.110 -39.575 1.00 0.00 H new ATOM 0 HE3 MET A 450 -76.463 -34.220 -37.852 1.00 0.00 H new ATOM 1567 N HIS A 451 -75.224 -29.278 -34.863 1.00 0.00 N ATOM 1568 CA HIS A 451 -75.442 -27.903 -34.503 1.00 0.00 C ATOM 1569 C HIS A 451 -74.097 -27.217 -34.370 1.00 0.00 C ATOM 1570 O HIS A 451 -73.444 -27.298 -33.331 1.00 0.00 O ATOM 1571 CB HIS A 451 -76.230 -27.830 -33.190 1.00 0.00 C ATOM 1572 CG HIS A 451 -76.729 -26.464 -32.822 1.00 0.00 C ATOM 1573 ND1 HIS A 451 -76.640 -25.999 -31.528 1.00 0.00 N ATOM 1574 CD2 HIS A 451 -77.348 -25.533 -33.585 1.00 0.00 C ATOM 1575 CE1 HIS A 451 -77.207 -24.805 -31.535 1.00 0.00 C ATOM 1576 NE2 HIS A 451 -77.648 -24.483 -32.754 1.00 0.00 N ATOM 0 H HIS A 451 -75.154 -29.917 -34.071 1.00 0.00 H new ATOM 0 HA HIS A 451 -76.025 -27.397 -35.273 1.00 0.00 H new ATOM 0 HB2 HIS A 451 -77.083 -28.505 -33.258 1.00 0.00 H new ATOM 0 HB3 HIS A 451 -75.596 -28.198 -32.383 1.00 0.00 H new ATOM 0 HD2 HIS A 451 -77.564 -25.603 -34.641 1.00 0.00 H new ATOM 0 HE1 HIS A 451 -77.302 -24.171 -30.666 1.00 0.00 H new ATOM 0 HE2 HIS A 451 -78.120 -23.618 -33.018 1.00 0.00 H new ATOM 1584 N MET A 452 -73.679 -26.576 -35.435 1.00 0.00 N ATOM 1585 CA MET A 452 -72.409 -25.889 -35.462 1.00 0.00 C ATOM 1586 C MET A 452 -72.630 -24.420 -35.247 1.00 0.00 C ATOM 1587 O MET A 452 -73.293 -23.762 -36.046 1.00 0.00 O ATOM 1588 CB MET A 452 -71.699 -26.132 -36.796 1.00 0.00 C ATOM 1589 CG MET A 452 -71.226 -27.565 -36.990 1.00 0.00 C ATOM 1590 SD MET A 452 -69.684 -27.929 -36.131 1.00 0.00 S ATOM 1591 CE MET A 452 -68.520 -27.015 -37.141 1.00 0.00 C ATOM 0 H MET A 452 -74.207 -26.516 -36.305 1.00 0.00 H new ATOM 0 HA MET A 452 -71.776 -26.276 -34.664 1.00 0.00 H new ATOM 0 HB2 MET A 452 -72.375 -25.870 -37.610 1.00 0.00 H new ATOM 0 HB3 MET A 452 -70.841 -25.464 -36.867 1.00 0.00 H new ATOM 0 HG2 MET A 452 -72.000 -28.247 -36.637 1.00 0.00 H new ATOM 0 HG3 MET A 452 -71.094 -27.756 -38.055 1.00 0.00 H new ATOM 0 HE1 MET A 452 -67.836 -27.710 -37.628 1.00 0.00 H new ATOM 0 HE2 MET A 452 -69.062 -26.449 -37.899 1.00 0.00 H new ATOM 0 HE3 MET A 452 -67.953 -26.329 -36.512 1.00 0.00 H new ATOM 1601 N VAL A 453 -72.114 -23.905 -34.159 1.00 0.00 N ATOM 1602 CA VAL A 453 -72.294 -22.510 -33.860 1.00 0.00 C ATOM 1603 C VAL A 453 -70.965 -21.828 -33.649 1.00 0.00 C ATOM 1604 O VAL A 453 -70.008 -22.424 -33.128 1.00 0.00 O ATOM 1605 CB VAL A 453 -73.210 -22.282 -32.625 1.00 0.00 C ATOM 1606 CG1 VAL A 453 -74.444 -23.146 -32.712 1.00 0.00 C ATOM 1607 CG2 VAL A 453 -72.477 -22.534 -31.320 1.00 0.00 C ATOM 0 H VAL A 453 -71.570 -24.427 -33.472 1.00 0.00 H new ATOM 0 HA VAL A 453 -72.790 -22.068 -34.724 1.00 0.00 H new ATOM 0 HB VAL A 453 -73.511 -21.234 -32.634 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -75.072 -22.972 -31.838 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -75.001 -22.896 -33.615 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -74.152 -24.196 -32.745 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -73.154 -22.363 -30.483 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -72.122 -23.564 -31.295 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -71.627 -21.856 -31.243 1.00 0.00 H new ATOM 1617 N CYS A 454 -70.894 -20.596 -34.069 1.00 0.00 N ATOM 1618 CA CYS A 454 -69.711 -19.818 -33.900 1.00 0.00 C ATOM 1619 C CYS A 454 -69.703 -19.193 -32.527 1.00 0.00 C ATOM 1620 O CYS A 454 -70.507 -18.290 -32.237 1.00 0.00 O ATOM 1621 CB CYS A 454 -69.626 -18.735 -34.971 1.00 0.00 C ATOM 1622 SG CYS A 454 -68.212 -17.612 -34.779 1.00 0.00 S ATOM 0 H CYS A 454 -71.657 -20.108 -34.537 1.00 0.00 H new ATOM 0 HA CYS A 454 -68.844 -20.471 -34.001 1.00 0.00 H new ATOM 0 HB2 CYS A 454 -69.568 -19.211 -35.950 1.00 0.00 H new ATOM 0 HB3 CYS A 454 -70.546 -18.150 -34.955 1.00 0.00 H new ATOM 0 HG CYS A 454 -68.095 -16.876 -35.844 1.00 0.00 H new ATOM 1627 N THR A 455 -68.839 -19.677 -31.670 1.00 0.00 N ATOM 1628 CA THR A 455 -68.732 -19.113 -30.367 1.00 0.00 C ATOM 1629 C THR A 455 -67.677 -18.024 -30.376 1.00 0.00 C ATOM 1630 O THR A 455 -66.494 -18.269 -30.137 1.00 0.00 O ATOM 1631 CB THR A 455 -68.395 -20.191 -29.322 1.00 0.00 C ATOM 1632 OG1 THR A 455 -67.332 -21.025 -29.814 1.00 0.00 O ATOM 1633 CG2 THR A 455 -69.617 -21.049 -29.031 1.00 0.00 C ATOM 0 H THR A 455 -68.207 -20.456 -31.858 1.00 0.00 H new ATOM 0 HA THR A 455 -69.693 -18.680 -30.090 1.00 0.00 H new ATOM 0 HB THR A 455 -68.081 -19.699 -28.401 1.00 0.00 H new ATOM 0 HG1 THR A 455 -66.590 -20.463 -30.120 1.00 0.00 H new ATOM 0 HG21 THR A 455 -69.362 -21.806 -28.290 1.00 0.00 H new ATOM 0 HG22 THR A 455 -70.420 -20.420 -28.645 1.00 0.00 H new ATOM 0 HG23 THR A 455 -69.947 -21.536 -29.949 1.00 0.00 H new ATOM 1641 N ARG A 456 -68.123 -16.833 -30.686 1.00 0.00 N ATOM 1642 CA ARG A 456 -67.283 -15.667 -30.757 1.00 0.00 C ATOM 1643 C ARG A 456 -67.996 -14.574 -29.977 1.00 0.00 C ATOM 1644 O ARG A 456 -69.175 -14.323 -30.228 1.00 0.00 O ATOM 1645 CB ARG A 456 -67.120 -15.281 -32.244 1.00 0.00 C ATOM 1646 CG ARG A 456 -65.788 -14.639 -32.658 1.00 0.00 C ATOM 1647 CD ARG A 456 -65.709 -13.160 -32.327 1.00 0.00 C ATOM 1648 NE ARG A 456 -65.157 -12.907 -30.998 1.00 0.00 N ATOM 1649 CZ ARG A 456 -64.822 -11.695 -30.547 1.00 0.00 C ATOM 1650 NH1 ARG A 456 -64.977 -10.627 -31.326 1.00 0.00 N1+ ATOM 1651 NH2 ARG A 456 -64.319 -11.555 -29.330 1.00 0.00 N ATOM 0 H ARG A 456 -69.102 -16.644 -30.901 1.00 0.00 H new ATOM 0 HA ARG A 456 -66.291 -15.833 -30.338 1.00 0.00 H new ATOM 0 HB2 ARG A 456 -67.264 -16.179 -32.844 1.00 0.00 H new ATOM 0 HB3 ARG A 456 -67.923 -14.592 -32.505 1.00 0.00 H new ATOM 0 HG2 ARG A 456 -64.970 -15.160 -32.160 1.00 0.00 H new ATOM 0 HG3 ARG A 456 -65.645 -14.773 -33.730 1.00 0.00 H new ATOM 0 HD2 ARG A 456 -65.093 -12.658 -33.073 1.00 0.00 H new ATOM 0 HD3 ARG A 456 -66.706 -12.724 -32.391 1.00 0.00 H new ATOM 0 HE ARG A 456 -65.019 -13.704 -30.377 1.00 0.00 H new ATOM 0 HH11 ARG A 456 -65.352 -10.733 -32.269 1.00 0.00 H new ATOM 0 HH12 ARG A 456 -64.721 -9.702 -30.980 1.00 0.00 H new ATOM 0 HH21 ARG A 456 -64.187 -12.373 -28.736 1.00 0.00 H new ATOM 0 HH22 ARG A 456 -64.064 -10.629 -28.987 1.00 0.00 H new ATOM 1665 N ALA A 457 -67.314 -13.956 -29.022 1.00 0.00 N ATOM 1666 CA ALA A 457 -67.922 -12.912 -28.173 1.00 0.00 C ATOM 1667 C ALA A 457 -68.655 -11.834 -28.986 1.00 0.00 C ATOM 1668 O ALA A 457 -69.649 -11.275 -28.531 1.00 0.00 O ATOM 1669 CB ALA A 457 -66.870 -12.278 -27.278 1.00 0.00 C ATOM 0 H ALA A 457 -66.336 -14.152 -28.807 1.00 0.00 H new ATOM 0 HA ALA A 457 -68.673 -13.405 -27.556 1.00 0.00 H new ATOM 0 HB1 ALA A 457 -67.334 -11.511 -26.658 1.00 0.00 H new ATOM 0 HB2 ALA A 457 -66.428 -13.042 -26.639 1.00 0.00 H new ATOM 0 HB3 ALA A 457 -66.093 -11.826 -27.894 1.00 0.00 H new ATOM 1675 N GLY A 458 -68.166 -11.554 -30.187 1.00 0.00 N ATOM 1676 CA GLY A 458 -68.795 -10.545 -31.019 1.00 0.00 C ATOM 1677 C GLY A 458 -69.519 -11.129 -32.226 1.00 0.00 C ATOM 1678 O GLY A 458 -69.700 -10.442 -33.237 1.00 0.00 O ATOM 0 H GLY A 458 -67.349 -12.005 -30.599 1.00 0.00 H new ATOM 0 HA2 GLY A 458 -69.505 -9.978 -30.417 1.00 0.00 H new ATOM 0 HA3 GLY A 458 -68.036 -9.842 -31.363 1.00 0.00 H new ATOM 1682 N CYS A 459 -69.940 -12.388 -32.131 1.00 0.00 N ATOM 1683 CA CYS A 459 -70.638 -13.036 -33.237 1.00 0.00 C ATOM 1684 C CYS A 459 -71.883 -13.772 -32.749 1.00 0.00 C ATOM 1685 O CYS A 459 -72.996 -13.249 -32.844 1.00 0.00 O ATOM 1686 CB CYS A 459 -69.711 -14.007 -33.971 1.00 0.00 C ATOM 1687 SG CYS A 459 -70.384 -14.660 -35.527 1.00 0.00 S ATOM 0 H CYS A 459 -69.811 -12.975 -31.307 1.00 0.00 H new ATOM 0 HA CYS A 459 -70.950 -12.255 -33.931 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -68.769 -13.501 -34.181 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -69.483 -14.843 -33.309 1.00 0.00 H new ATOM 0 HG CYS A 459 -69.924 -15.859 -35.730 1.00 0.00 H new ATOM 1692 N GLY A 460 -71.682 -14.979 -32.223 1.00 0.00 N ATOM 1693 CA GLY A 460 -72.791 -15.790 -31.754 1.00 0.00 C ATOM 1694 C GLY A 460 -73.731 -16.158 -32.884 1.00 0.00 C ATOM 1695 O GLY A 460 -74.888 -15.733 -32.905 1.00 0.00 O ATOM 0 H GLY A 460 -70.764 -15.410 -32.114 1.00 0.00 H new ATOM 0 HA2 GLY A 460 -72.407 -16.698 -31.289 1.00 0.00 H new ATOM 0 HA3 GLY A 460 -73.340 -15.246 -30.986 1.00 0.00 H new ATOM 1699 N PHE A 461 -73.241 -16.945 -33.820 1.00 0.00 N ATOM 1700 CA PHE A 461 -74.022 -17.306 -34.986 1.00 0.00 C ATOM 1701 C PHE A 461 -74.133 -18.820 -35.144 1.00 0.00 C ATOM 1702 O PHE A 461 -73.129 -19.519 -35.235 1.00 0.00 O ATOM 1703 CB PHE A 461 -73.392 -16.684 -36.234 1.00 0.00 C ATOM 1704 CG PHE A 461 -74.151 -16.935 -37.504 1.00 0.00 C ATOM 1705 CD1 PHE A 461 -75.355 -16.295 -37.743 1.00 0.00 C ATOM 1706 CD2 PHE A 461 -73.654 -17.798 -38.465 1.00 0.00 C ATOM 1707 CE1 PHE A 461 -76.047 -16.513 -38.915 1.00 0.00 C ATOM 1708 CE2 PHE A 461 -74.345 -18.020 -39.638 1.00 0.00 C ATOM 1709 CZ PHE A 461 -75.543 -17.377 -39.862 1.00 0.00 C ATOM 0 H PHE A 461 -72.304 -17.348 -33.796 1.00 0.00 H new ATOM 0 HA PHE A 461 -75.032 -16.919 -34.854 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -73.305 -15.608 -36.084 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -72.380 -17.073 -36.347 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -75.756 -15.618 -37.004 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -72.715 -18.303 -38.295 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -76.984 -16.006 -39.091 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -73.948 -18.697 -40.380 1.00 0.00 H new ATOM 0 HZ PHE A 461 -76.086 -17.550 -40.779 1.00 0.00 H new ATOM 1719 N GLU A 462 -75.360 -19.312 -35.155 1.00 0.00 N ATOM 1720 CA GLU A 462 -75.631 -20.729 -35.360 1.00 0.00 C ATOM 1721 C GLU A 462 -75.789 -21.008 -36.848 1.00 0.00 C ATOM 1722 O GLU A 462 -76.088 -20.097 -37.620 1.00 0.00 O ATOM 1723 CB GLU A 462 -76.926 -21.124 -34.653 1.00 0.00 C ATOM 1724 CG GLU A 462 -76.958 -20.821 -33.167 1.00 0.00 C ATOM 1725 CD GLU A 462 -78.333 -21.033 -32.577 1.00 0.00 C ATOM 1726 OE1 GLU A 462 -78.907 -22.125 -32.770 1.00 0.00 O1- ATOM 1727 OE2 GLU A 462 -78.861 -20.104 -31.941 1.00 0.00 O ATOM 0 H GLU A 462 -76.197 -18.744 -35.023 1.00 0.00 H new ATOM 0 HA GLU A 462 -74.800 -21.305 -34.954 1.00 0.00 H new ATOM 0 HB2 GLU A 462 -77.757 -20.607 -35.133 1.00 0.00 H new ATOM 0 HB3 GLU A 462 -77.090 -22.192 -34.795 1.00 0.00 H new ATOM 0 HG2 GLU A 462 -76.240 -21.458 -32.651 1.00 0.00 H new ATOM 0 HG3 GLU A 462 -76.647 -19.790 -33.000 1.00 0.00 H new ATOM 1734 N TRP A 463 -75.579 -22.256 -37.247 1.00 0.00 N ATOM 1735 CA TRP A 463 -75.770 -22.669 -38.636 1.00 0.00 C ATOM 1736 C TRP A 463 -75.785 -24.202 -38.766 1.00 0.00 C ATOM 1737 O TRP A 463 -75.308 -24.918 -37.875 1.00 0.00 O ATOM 1738 CB TRP A 463 -74.701 -22.043 -39.572 1.00 0.00 C ATOM 1739 CG TRP A 463 -73.276 -22.089 -39.058 1.00 0.00 C ATOM 1740 CD1 TRP A 463 -72.702 -21.228 -38.164 1.00 0.00 C ATOM 1741 CD2 TRP A 463 -72.244 -23.016 -39.433 1.00 0.00 C ATOM 1742 NE1 TRP A 463 -71.389 -21.567 -37.953 1.00 0.00 N ATOM 1743 CE2 TRP A 463 -71.082 -22.658 -38.718 1.00 0.00 C ATOM 1744 CE3 TRP A 463 -72.190 -24.112 -40.296 1.00 0.00 C ATOM 1745 CZ2 TRP A 463 -69.884 -23.357 -38.841 1.00 0.00 C ATOM 1746 CZ3 TRP A 463 -70.999 -24.805 -40.417 1.00 0.00 C ATOM 1747 CH2 TRP A 463 -69.863 -24.425 -39.695 1.00 0.00 C ATOM 0 H TRP A 463 -75.274 -23.006 -36.626 1.00 0.00 H new ATOM 0 HA TRP A 463 -76.744 -22.295 -38.952 1.00 0.00 H new ATOM 0 HB2 TRP A 463 -74.739 -22.557 -40.533 1.00 0.00 H new ATOM 0 HB3 TRP A 463 -74.969 -21.003 -39.756 1.00 0.00 H new ATOM 0 HD1 TRP A 463 -73.209 -20.400 -37.692 1.00 0.00 H new ATOM 0 HE1 TRP A 463 -70.746 -21.083 -37.326 1.00 0.00 H new ATOM 0 HE3 TRP A 463 -73.061 -24.413 -40.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 -69.006 -23.067 -38.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 -70.945 -25.655 -41.081 1.00 0.00 H new ATOM 0 HH2 TRP A 463 -68.949 -24.988 -39.815 1.00 0.00 H new ATOM 1758 N CYS A 464 -76.369 -24.692 -39.861 1.00 0.00 N ATOM 1759 CA CYS A 464 -76.434 -26.127 -40.140 1.00 0.00 C ATOM 1760 C CYS A 464 -75.056 -26.641 -40.525 1.00 0.00 C ATOM 1761 O CYS A 464 -74.353 -26.023 -41.325 1.00 0.00 O ATOM 1762 CB CYS A 464 -77.417 -26.384 -41.281 1.00 0.00 C ATOM 1763 SG CYS A 464 -77.658 -28.147 -41.738 1.00 0.00 S ATOM 0 H CYS A 464 -76.807 -24.110 -40.575 1.00 0.00 H new ATOM 0 HA CYS A 464 -76.773 -26.651 -39.246 1.00 0.00 H new ATOM 0 HB2 CYS A 464 -78.384 -25.963 -41.006 1.00 0.00 H new ATOM 0 HB3 CYS A 464 -77.073 -25.842 -42.162 1.00 0.00 H new ATOM 0 HG CYS A 464 -77.921 -28.234 -43.008 1.00 0.00 H new ATOM 1768 N TRP A 465 -74.679 -27.763 -39.961 1.00 0.00 N ATOM 1769 CA TRP A 465 -73.385 -28.364 -40.232 1.00 0.00 C ATOM 1770 C TRP A 465 -73.294 -28.910 -41.658 1.00 0.00 C ATOM 1771 O TRP A 465 -72.291 -28.700 -42.350 1.00 0.00 O ATOM 1772 CB TRP A 465 -73.101 -29.477 -39.209 1.00 0.00 C ATOM 1773 CG TRP A 465 -72.143 -30.527 -39.682 1.00 0.00 C ATOM 1774 CD1 TRP A 465 -72.429 -31.839 -39.906 1.00 0.00 C ATOM 1775 CD2 TRP A 465 -70.755 -30.359 -40.000 1.00 0.00 C ATOM 1776 NE1 TRP A 465 -71.313 -32.496 -40.343 1.00 0.00 N ATOM 1777 CE2 TRP A 465 -70.273 -31.613 -40.409 1.00 0.00 C ATOM 1778 CE3 TRP A 465 -69.875 -29.271 -39.980 1.00 0.00 C ATOM 1779 CZ2 TRP A 465 -68.958 -31.814 -40.794 1.00 0.00 C ATOM 1780 CZ3 TRP A 465 -68.565 -29.472 -40.362 1.00 0.00 C ATOM 1781 CH2 TRP A 465 -68.116 -30.733 -40.765 1.00 0.00 C ATOM 0 H TRP A 465 -75.255 -28.288 -39.303 1.00 0.00 H new ATOM 0 HA TRP A 465 -72.629 -27.585 -40.138 1.00 0.00 H new ATOM 0 HB2 TRP A 465 -72.705 -29.025 -38.300 1.00 0.00 H new ATOM 0 HB3 TRP A 465 -74.043 -29.956 -38.942 1.00 0.00 H new ATOM 0 HD1 TRP A 465 -73.397 -32.295 -39.760 1.00 0.00 H new ATOM 0 HE1 TRP A 465 -71.265 -33.487 -40.582 1.00 0.00 H new ATOM 0 HE3 TRP A 465 -70.215 -28.293 -39.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 465 -68.609 -32.787 -41.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 465 -67.875 -28.641 -40.350 1.00 0.00 H new ATOM 0 HH2 TRP A 465 -67.084 -30.858 -41.060 1.00 0.00 H new ATOM 1792 N VAL A 466 -74.337 -29.584 -42.099 1.00 0.00 N ATOM 1793 CA VAL A 466 -74.319 -30.241 -43.396 1.00 0.00 C ATOM 1794 C VAL A 466 -74.331 -29.235 -44.546 1.00 0.00 C ATOM 1795 O VAL A 466 -73.372 -29.154 -45.317 1.00 0.00 O ATOM 1796 CB VAL A 466 -75.485 -31.236 -43.538 1.00 0.00 C ATOM 1797 CG1 VAL A 466 -75.395 -31.990 -44.859 1.00 0.00 C ATOM 1798 CG2 VAL A 466 -75.483 -32.206 -42.366 1.00 0.00 C ATOM 0 H VAL A 466 -75.209 -29.693 -41.581 1.00 0.00 H new ATOM 0 HA VAL A 466 -73.384 -30.799 -43.453 1.00 0.00 H new ATOM 0 HB VAL A 466 -76.422 -30.679 -43.533 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -76.229 -32.687 -44.937 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -75.436 -31.281 -45.686 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -74.456 -32.542 -44.900 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -76.311 -32.907 -42.473 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -74.542 -32.755 -42.350 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -75.595 -31.651 -41.434 1.00 0.00 H new ATOM 1808 N CYS A 467 -75.398 -28.471 -44.662 1.00 0.00 N ATOM 1809 CA CYS A 467 -75.486 -27.476 -45.711 1.00 0.00 C ATOM 1810 C CYS A 467 -75.295 -26.084 -45.136 1.00 0.00 C ATOM 1811 O CYS A 467 -75.753 -25.796 -44.032 1.00 0.00 O ATOM 1812 CB CYS A 467 -76.815 -27.590 -46.469 1.00 0.00 C ATOM 1813 SG CYS A 467 -78.290 -27.725 -45.419 1.00 0.00 S ATOM 0 H CYS A 467 -76.211 -28.519 -44.048 1.00 0.00 H new ATOM 0 HA CYS A 467 -74.686 -27.659 -46.428 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -76.925 -26.717 -47.113 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -76.770 -28.463 -47.120 1.00 0.00 H new ATOM 0 HG CYS A 467 -79.349 -27.814 -46.168 1.00 0.00 H new ATOM 1818 N GLN A 468 -74.640 -25.215 -45.887 1.00 0.00 N ATOM 1819 CA GLN A 468 -74.368 -23.879 -45.397 1.00 0.00 C ATOM 1820 C GLN A 468 -75.622 -23.032 -45.437 1.00 0.00 C ATOM 1821 O GLN A 468 -76.164 -22.728 -46.503 1.00 0.00 O ATOM 1822 CB GLN A 468 -73.224 -23.210 -46.177 1.00 0.00 C ATOM 1823 CG GLN A 468 -73.423 -23.168 -47.684 1.00 0.00 C ATOM 1824 CD GLN A 468 -72.336 -22.386 -48.391 1.00 0.00 C ATOM 1825 OE1 GLN A 468 -71.198 -22.324 -47.930 1.00 0.00 O ATOM 1826 NE2 GLN A 468 -72.680 -21.781 -49.508 1.00 0.00 N ATOM 0 H GLN A 468 -74.292 -25.409 -46.826 1.00 0.00 H new ATOM 0 HA GLN A 468 -74.044 -23.965 -44.360 1.00 0.00 H new ATOM 0 HB2 GLN A 468 -73.101 -22.190 -45.812 1.00 0.00 H new ATOM 0 HB3 GLN A 468 -72.296 -23.740 -45.961 1.00 0.00 H new ATOM 0 HG2 GLN A 468 -73.445 -24.186 -48.073 1.00 0.00 H new ATOM 0 HG3 GLN A 468 -74.392 -22.721 -47.907 1.00 0.00 H new ATOM 0 HE21 GLN A 468 -73.636 -21.858 -49.856 1.00 0.00 H new ATOM 0 HE22 GLN A 468 -71.991 -21.235 -50.025 1.00 0.00 H new ATOM 1835 N THR A 469 -76.080 -22.670 -44.269 1.00 0.00 N ATOM 1836 CA THR A 469 -77.283 -21.902 -44.107 1.00 0.00 C ATOM 1837 C THR A 469 -77.111 -20.918 -42.966 1.00 0.00 C ATOM 1838 O THR A 469 -76.060 -20.880 -42.326 1.00 0.00 O ATOM 1839 CB THR A 469 -78.471 -22.831 -43.798 1.00 0.00 C ATOM 1840 OG1 THR A 469 -78.066 -23.798 -42.832 1.00 0.00 O ATOM 1841 CG2 THR A 469 -78.959 -23.541 -45.054 1.00 0.00 C ATOM 0 H THR A 469 -75.620 -22.905 -43.390 1.00 0.00 H new ATOM 0 HA THR A 469 -77.481 -21.363 -45.033 1.00 0.00 H new ATOM 0 HB THR A 469 -79.291 -22.227 -43.410 1.00 0.00 H new ATOM 0 HG1 THR A 469 -78.738 -24.510 -42.780 1.00 0.00 H new ATOM 0 HG21 THR A 469 -79.798 -24.189 -44.803 1.00 0.00 H new ATOM 0 HG22 THR A 469 -79.279 -22.802 -45.789 1.00 0.00 H new ATOM 0 HG23 THR A 469 -78.150 -24.140 -45.471 1.00 0.00 H new ATOM 1849 N GLU A 470 -78.120 -20.117 -42.726 1.00 0.00 N ATOM 1850 CA GLU A 470 -78.083 -19.176 -41.636 1.00 0.00 C ATOM 1851 C GLU A 470 -78.944 -19.677 -40.501 1.00 0.00 C ATOM 1852 O GLU A 470 -80.157 -19.845 -40.660 1.00 0.00 O ATOM 1853 CB GLU A 470 -78.547 -17.800 -42.097 1.00 0.00 C ATOM 1854 CG GLU A 470 -77.671 -17.199 -43.180 1.00 0.00 C ATOM 1855 CD GLU A 470 -78.234 -15.917 -43.734 1.00 0.00 C ATOM 1856 OE1 GLU A 470 -79.169 -15.989 -44.562 1.00 0.00 O1- ATOM 1857 OE2 GLU A 470 -77.747 -14.833 -43.354 1.00 0.00 O ATOM 0 H GLU A 470 -78.980 -20.099 -43.274 1.00 0.00 H new ATOM 0 HA GLU A 470 -77.055 -19.083 -41.285 1.00 0.00 H new ATOM 0 HB2 GLU A 470 -79.569 -17.875 -42.467 1.00 0.00 H new ATOM 0 HB3 GLU A 470 -78.567 -17.126 -41.241 1.00 0.00 H new ATOM 0 HG2 GLU A 470 -76.677 -17.010 -42.775 1.00 0.00 H new ATOM 0 HG3 GLU A 470 -77.554 -17.920 -43.989 1.00 0.00 H new ATOM 1864 N TRP A 471 -78.311 -19.920 -39.360 1.00 0.00 N ATOM 1865 CA TRP A 471 -78.979 -20.440 -38.178 1.00 0.00 C ATOM 1866 C TRP A 471 -79.532 -21.839 -38.445 1.00 0.00 C ATOM 1867 O TRP A 471 -79.204 -22.469 -39.446 1.00 0.00 O ATOM 1868 CB TRP A 471 -80.104 -19.509 -37.724 1.00 0.00 C ATOM 1869 CG TRP A 471 -79.683 -18.082 -37.511 1.00 0.00 C ATOM 1870 CD1 TRP A 471 -79.780 -17.060 -38.410 1.00 0.00 C ATOM 1871 CD2 TRP A 471 -79.105 -17.518 -36.327 1.00 0.00 C ATOM 1872 NE1 TRP A 471 -79.295 -15.901 -37.860 1.00 0.00 N ATOM 1873 CE2 TRP A 471 -78.876 -16.153 -36.584 1.00 0.00 C ATOM 1874 CE3 TRP A 471 -78.759 -18.032 -35.077 1.00 0.00 C ATOM 1875 CZ2 TRP A 471 -78.318 -15.300 -35.639 1.00 0.00 C ATOM 1876 CZ3 TRP A 471 -78.204 -17.184 -34.139 1.00 0.00 C ATOM 1877 CH2 TRP A 471 -77.989 -15.831 -34.425 1.00 0.00 C ATOM 0 H TRP A 471 -77.312 -19.760 -39.230 1.00 0.00 H new ATOM 0 HA TRP A 471 -78.240 -20.499 -37.378 1.00 0.00 H new ATOM 0 HB2 TRP A 471 -80.901 -19.533 -38.468 1.00 0.00 H new ATOM 0 HB3 TRP A 471 -80.524 -19.893 -36.795 1.00 0.00 H new ATOM 0 HD1 TRP A 471 -80.180 -17.151 -39.409 1.00 0.00 H new ATOM 0 HE1 TRP A 471 -79.254 -14.996 -38.328 1.00 0.00 H new ATOM 0 HE3 TRP A 471 -78.922 -19.075 -34.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 471 -78.151 -14.256 -35.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 471 -77.931 -17.571 -33.168 1.00 0.00 H new ATOM 0 HH2 TRP A 471 -77.554 -15.194 -33.670 1.00 0.00 H new ATOM 1888 N THR A 472 -80.350 -22.322 -37.545 1.00 0.00 N ATOM 1889 CA THR A 472 -80.970 -23.618 -37.691 1.00 0.00 C ATOM 1890 C THR A 472 -82.473 -23.435 -37.960 1.00 0.00 C ATOM 1891 O THR A 472 -83.296 -24.263 -37.595 1.00 0.00 O ATOM 1892 CB THR A 472 -80.756 -24.448 -36.403 1.00 0.00 C ATOM 1893 OG1 THR A 472 -79.390 -24.321 -35.982 1.00 0.00 O ATOM 1894 CG2 THR A 472 -81.065 -25.921 -36.638 1.00 0.00 C ATOM 0 H THR A 472 -80.606 -21.829 -36.689 1.00 0.00 H new ATOM 0 HA THR A 472 -80.517 -24.148 -38.529 1.00 0.00 H new ATOM 0 HB THR A 472 -81.432 -24.070 -35.636 1.00 0.00 H new ATOM 0 HG1 THR A 472 -79.339 -24.402 -35.007 1.00 0.00 H new ATOM 0 HG21 THR A 472 -80.905 -26.478 -35.715 1.00 0.00 H new ATOM 0 HG22 THR A 472 -82.103 -26.029 -36.952 1.00 0.00 H new ATOM 0 HG23 THR A 472 -80.408 -26.311 -37.415 1.00 0.00 H new ATOM 1902 N ARG A 473 -82.817 -22.338 -38.616 1.00 0.00 N ATOM 1903 CA ARG A 473 -84.216 -22.017 -38.871 1.00 0.00 C ATOM 1904 C ARG A 473 -84.768 -22.676 -40.130 1.00 0.00 C ATOM 1905 O ARG A 473 -85.749 -23.404 -40.061 1.00 0.00 O ATOM 1906 CB ARG A 473 -84.439 -20.504 -38.907 1.00 0.00 C ATOM 1907 CG ARG A 473 -84.206 -19.813 -37.574 1.00 0.00 C ATOM 1908 CD ARG A 473 -85.168 -20.324 -36.512 1.00 0.00 C ATOM 1909 NE ARG A 473 -84.916 -19.716 -35.210 1.00 0.00 N ATOM 1910 CZ ARG A 473 -85.062 -20.346 -34.043 1.00 0.00 C ATOM 1911 NH1 ARG A 473 -85.493 -21.605 -34.007 1.00 0.00 N1+ ATOM 1912 NH2 ARG A 473 -84.783 -19.713 -32.914 1.00 0.00 N ATOM 0 H ARG A 473 -82.152 -21.656 -38.981 1.00 0.00 H new ATOM 0 HA ARG A 473 -84.776 -22.434 -38.034 1.00 0.00 H new ATOM 0 HB2 ARG A 473 -83.774 -20.067 -39.652 1.00 0.00 H new ATOM 0 HB3 ARG A 473 -85.460 -20.305 -39.234 1.00 0.00 H new ATOM 0 HG2 ARG A 473 -83.179 -19.981 -37.249 1.00 0.00 H new ATOM 0 HG3 ARG A 473 -84.330 -18.737 -37.693 1.00 0.00 H new ATOM 0 HD2 ARG A 473 -86.192 -20.113 -36.819 1.00 0.00 H new ATOM 0 HD3 ARG A 473 -85.076 -21.407 -36.430 1.00 0.00 H new ATOM 0 HE ARG A 473 -84.607 -18.744 -35.191 1.00 0.00 H new ATOM 0 HH11 ARG A 473 -85.714 -22.094 -34.875 1.00 0.00 H new ATOM 0 HH12 ARG A 473 -85.603 -22.081 -33.112 1.00 0.00 H new ATOM 0 HH21 ARG A 473 -84.458 -18.747 -32.938 1.00 0.00 H new ATOM 0 HH22 ARG A 473 -84.894 -20.192 -32.020 1.00 0.00 H new ATOM 1926 N ASP A 474 -84.159 -22.427 -41.277 1.00 0.00 N ATOM 1927 CA ASP A 474 -84.683 -23.004 -42.518 1.00 0.00 C ATOM 1928 C ASP A 474 -84.463 -24.509 -42.566 1.00 0.00 C ATOM 1929 O ASP A 474 -85.202 -25.227 -43.240 1.00 0.00 O ATOM 1930 CB ASP A 474 -84.124 -22.313 -43.773 1.00 0.00 C ATOM 1931 CG ASP A 474 -82.656 -22.556 -44.006 1.00 0.00 C ATOM 1932 OD1 ASP A 474 -81.833 -21.952 -43.285 1.00 0.00 O ATOM 1933 OD2 ASP A 474 -82.317 -23.316 -44.944 1.00 0.00 O1- ATOM 0 H ASP A 474 -83.326 -21.848 -41.383 1.00 0.00 H new ATOM 0 HA ASP A 474 -85.758 -22.823 -42.517 1.00 0.00 H new ATOM 0 HB2 ASP A 474 -84.681 -22.659 -44.644 1.00 0.00 H new ATOM 0 HB3 ASP A 474 -84.295 -21.240 -43.690 1.00 0.00 H new ATOM 1938 N CYS A 475 -83.460 -24.988 -41.835 1.00 0.00 N ATOM 1939 CA CYS A 475 -83.197 -26.419 -41.744 1.00 0.00 C ATOM 1940 C CYS A 475 -83.982 -27.044 -40.597 1.00 0.00 C ATOM 1941 O CYS A 475 -84.032 -28.271 -40.477 1.00 0.00 O ATOM 1942 CB CYS A 475 -81.705 -26.687 -41.543 1.00 0.00 C ATOM 1943 SG CYS A 475 -80.664 -26.224 -42.956 1.00 0.00 S ATOM 0 H CYS A 475 -82.817 -24.406 -41.298 1.00 0.00 H new ATOM 0 HA CYS A 475 -83.517 -26.872 -42.683 1.00 0.00 H new ATOM 0 HB2 CYS A 475 -81.365 -26.141 -40.663 1.00 0.00 H new ATOM 0 HB3 CYS A 475 -81.563 -27.748 -41.335 1.00 0.00 H new ATOM 0 HG CYS A 475 -79.482 -26.745 -42.813 1.00 0.00 H new ATOM 1948 N MET A 476 -84.608 -26.190 -39.777 1.00 0.00 N ATOM 1949 CA MET A 476 -85.351 -26.626 -38.588 1.00 0.00 C ATOM 1950 C MET A 476 -86.338 -27.738 -38.923 1.00 0.00 C ATOM 1951 O MET A 476 -86.276 -28.831 -38.359 1.00 0.00 O ATOM 1952 CB MET A 476 -86.100 -25.449 -37.961 1.00 0.00 C ATOM 1953 CG MET A 476 -86.718 -25.757 -36.608 1.00 0.00 C ATOM 1954 SD MET A 476 -87.500 -24.311 -35.862 1.00 0.00 S ATOM 1955 CE MET A 476 -87.987 -24.984 -34.273 1.00 0.00 C ATOM 0 H MET A 476 -84.614 -25.180 -39.919 1.00 0.00 H new ATOM 0 HA MET A 476 -84.624 -27.014 -37.874 1.00 0.00 H new ATOM 0 HB2 MET A 476 -85.412 -24.611 -37.852 1.00 0.00 H new ATOM 0 HB3 MET A 476 -86.887 -25.128 -38.643 1.00 0.00 H new ATOM 0 HG2 MET A 476 -87.459 -26.549 -36.722 1.00 0.00 H new ATOM 0 HG3 MET A 476 -85.947 -26.136 -35.937 1.00 0.00 H new ATOM 0 HE1 MET A 476 -88.487 -24.212 -33.688 1.00 0.00 H new ATOM 0 HE2 MET A 476 -88.668 -25.821 -34.426 1.00 0.00 H new ATOM 0 HE3 MET A 476 -87.103 -25.329 -33.738 1.00 0.00 H new ATOM 1965 N GLY A 477 -87.240 -27.455 -39.846 1.00 0.00 N ATOM 1966 CA GLY A 477 -88.223 -28.436 -40.239 1.00 0.00 C ATOM 1967 C GLY A 477 -87.984 -28.962 -41.633 1.00 0.00 C ATOM 1968 O GLY A 477 -88.845 -29.616 -42.213 1.00 0.00 O ATOM 0 H GLY A 477 -87.309 -26.560 -40.331 1.00 0.00 H new ATOM 0 HA2 GLY A 477 -88.207 -29.266 -39.533 1.00 0.00 H new ATOM 0 HA3 GLY A 477 -89.217 -27.992 -40.186 1.00 0.00 H new ATOM 1972 N ALA A 478 -86.816 -28.678 -42.177 1.00 0.00 N ATOM 1973 CA ALA A 478 -86.478 -29.143 -43.510 1.00 0.00 C ATOM 1974 C ALA A 478 -85.846 -30.518 -43.450 1.00 0.00 C ATOM 1975 O ALA A 478 -86.416 -31.498 -43.931 1.00 0.00 O ATOM 1976 CB ALA A 478 -85.551 -28.165 -44.207 1.00 0.00 C ATOM 0 H ALA A 478 -86.088 -28.130 -41.719 1.00 0.00 H new ATOM 0 HA ALA A 478 -87.400 -29.209 -44.088 1.00 0.00 H new ATOM 0 HB1 ALA A 478 -85.313 -28.537 -45.204 1.00 0.00 H new ATOM 0 HB2 ALA A 478 -86.041 -27.195 -44.289 1.00 0.00 H new ATOM 0 HB3 ALA A 478 -84.632 -28.060 -43.630 1.00 0.00 H new ATOM 1982 N HIS A 479 -84.674 -30.599 -42.836 1.00 0.00 N ATOM 1983 CA HIS A 479 -83.981 -31.866 -42.721 1.00 0.00 C ATOM 1984 C HIS A 479 -83.379 -32.040 -41.325 1.00 0.00 C ATOM 1985 O HIS A 479 -83.805 -32.913 -40.569 1.00 0.00 O ATOM 1986 CB HIS A 479 -82.906 -32.033 -43.841 1.00 0.00 C ATOM 1987 CG HIS A 479 -81.712 -31.109 -43.750 1.00 0.00 C ATOM 1988 ND1 HIS A 479 -80.426 -31.546 -43.491 1.00 0.00 N ATOM 1989 CD2 HIS A 479 -81.629 -29.757 -43.864 1.00 0.00 C ATOM 1990 CE1 HIS A 479 -79.626 -30.477 -43.448 1.00 0.00 C ATOM 1991 NE2 HIS A 479 -80.305 -29.363 -43.669 1.00 0.00 N ATOM 0 H HIS A 479 -84.189 -29.807 -42.414 1.00 0.00 H new ATOM 0 HA HIS A 479 -84.714 -32.660 -42.861 1.00 0.00 H new ATOM 0 HB2 HIS A 479 -82.547 -33.062 -43.824 1.00 0.00 H new ATOM 0 HB3 HIS A 479 -83.388 -31.879 -44.807 1.00 0.00 H new ATOM 0 HD1 HIS A 479 -80.138 -32.515 -43.356 1.00 0.00 H new ATOM 0 HD2 HIS A 479 -82.456 -29.094 -44.072 1.00 0.00 H new ATOM 0 HE1 HIS A 479 -78.564 -30.517 -43.258 1.00 0.00 H new ATOM 0 HE2 HIS A 479 -79.936 -28.412 -43.692 1.00 0.00 H new ATOM 1999 N TRP A 480 -82.401 -31.185 -40.988 1.00 0.00 N ATOM 2000 CA TRP A 480 -81.702 -31.239 -39.709 1.00 0.00 C ATOM 2001 C TRP A 480 -81.118 -32.645 -39.484 1.00 0.00 C ATOM 2002 O TRP A 480 -80.984 -33.123 -38.357 1.00 0.00 O ATOM 2003 CB TRP A 480 -82.643 -30.805 -38.574 1.00 0.00 C ATOM 2004 CG TRP A 480 -81.976 -30.629 -37.242 1.00 0.00 C ATOM 2005 CD1 TRP A 480 -82.388 -31.162 -36.058 1.00 0.00 C ATOM 2006 CD2 TRP A 480 -80.775 -29.880 -36.949 1.00 0.00 C ATOM 2007 NE1 TRP A 480 -81.539 -30.792 -35.051 1.00 0.00 N ATOM 2008 CE2 TRP A 480 -80.543 -30.009 -35.565 1.00 0.00 C ATOM 2009 CE3 TRP A 480 -79.871 -29.109 -37.714 1.00 0.00 C ATOM 2010 CZ2 TRP A 480 -79.465 -29.409 -34.932 1.00 0.00 C ATOM 2011 CZ3 TRP A 480 -78.803 -28.519 -37.073 1.00 0.00 C ATOM 2012 CH2 TRP A 480 -78.609 -28.673 -35.699 1.00 0.00 C ATOM 0 H TRP A 480 -82.077 -30.437 -41.601 1.00 0.00 H new ATOM 0 HA TRP A 480 -80.865 -30.541 -39.718 1.00 0.00 H new ATOM 0 HB2 TRP A 480 -83.119 -29.865 -38.854 1.00 0.00 H new ATOM 0 HB3 TRP A 480 -83.436 -31.546 -38.473 1.00 0.00 H new ATOM 0 HD1 TRP A 480 -83.260 -31.787 -35.932 1.00 0.00 H new ATOM 0 HE1 TRP A 480 -81.634 -31.058 -34.071 1.00 0.00 H new ATOM 0 HE3 TRP A 480 -80.014 -28.985 -38.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 480 -79.308 -29.520 -33.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 480 -78.103 -27.927 -37.644 1.00 0.00 H new ATOM 0 HH2 TRP A 480 -77.760 -28.197 -35.231 1.00 0.00 H new ATOM 2023 N PHE A 481 -80.759 -33.285 -40.582 1.00 0.00 N ATOM 2024 CA PHE A 481 -80.172 -34.604 -40.559 1.00 0.00 C ATOM 2025 C PHE A 481 -79.091 -34.694 -41.628 1.00 0.00 C ATOM 2026 O PHE A 481 -79.160 -33.995 -42.646 1.00 0.00 O ATOM 2027 CB PHE A 481 -81.242 -35.684 -40.784 1.00 0.00 C ATOM 2028 CG PHE A 481 -80.699 -37.086 -40.718 1.00 0.00 C ATOM 2029 CD1 PHE A 481 -80.441 -37.684 -39.495 1.00 0.00 C ATOM 2030 CD2 PHE A 481 -80.437 -37.798 -41.877 1.00 0.00 C ATOM 2031 CE1 PHE A 481 -79.931 -38.967 -39.431 1.00 0.00 C ATOM 2032 CE2 PHE A 481 -79.929 -39.080 -41.819 1.00 0.00 C ATOM 2033 CZ PHE A 481 -79.675 -39.663 -40.596 1.00 0.00 C ATOM 0 H PHE A 481 -80.869 -32.898 -41.519 1.00 0.00 H new ATOM 0 HA PHE A 481 -79.726 -34.776 -39.579 1.00 0.00 H new ATOM 0 HB2 PHE A 481 -82.026 -35.570 -40.035 1.00 0.00 H new ATOM 0 HB3 PHE A 481 -81.706 -35.528 -41.758 1.00 0.00 H new ATOM 0 HD1 PHE A 481 -80.640 -37.142 -38.582 1.00 0.00 H new ATOM 0 HD2 PHE A 481 -80.633 -37.345 -42.837 1.00 0.00 H new ATOM 0 HE1 PHE A 481 -79.733 -39.424 -38.473 1.00 0.00 H new ATOM 0 HE2 PHE A 481 -79.731 -39.625 -42.730 1.00 0.00 H new ATOM 0 HZ PHE A 481 -79.275 -40.665 -40.549 1.00 0.00 H new ATOM 2043 N GLY A 482 -78.100 -35.531 -41.388 1.00 0.00 N ATOM 2044 CA GLY A 482 -77.010 -35.688 -42.311 1.00 0.00 C ATOM 2045 C GLY A 482 -75.763 -36.135 -41.596 1.00 0.00 C ATOM 2046 O GLY A 482 -74.657 -35.771 -42.028 1.00 0.00 O ATOM 2047 OXT GLY A 482 -75.891 -36.853 -40.582 1.00 0.00 O ATOM 0 H GLY A 482 -78.034 -36.113 -40.553 1.00 0.00 H new ATOM 0 HA2 GLY A 482 -77.277 -36.418 -43.075 1.00 0.00 H new ATOM 0 HA3 GLY A 482 -76.822 -34.744 -42.823 1.00 0.00 H new