USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 677 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 464 CYS SG : rot 175:sc= 1.11 USER MOD Set 1.2: A 467 CYS SG : rot -84:sc= 1.32 USER MOD Set 1.3: A 469 THR OG1 : rot -116:sc= 0.0804 USER MOD Set 1.4: A 475 CYS SG : rot -127:sc= 0.0267 USER MOD Set 1.5: A 479 HIS : no HE2:sc= 1.09 K(o=3.6,f=-6.7!) USER MOD Set 2.1: A 434 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 468 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 436 CYS SG : rot 138:sc= 0.895 USER MOD Set 3.2: A 439 CYS SG : rot -33:sc= 1.91 USER MOD Set 3.3: A 441 THR OG1 : rot -82:sc= 1.33 USER MOD Set 3.4: A 443 THR OG1 : rot 180:sc= 0 USER MOD Set 3.5: A 454 CYS SG : rot -126:sc= -0.0586 USER MOD Set 3.6: A 459 CYS SG : rot 138:sc= 0.766 USER MOD Set 4.1: A 382 CYS SG : rot -170:sc= 0.233 USER MOD Set 4.2: A 385 CYS SG : rot -96:sc= 1 USER MOD Set 4.3: A 387 GLN : amide:sc= 0 X(o=1.1,f=1.2) USER MOD Set 4.4: A 390 HIS : no HD1:sc= -0.605 K(o=1.1,f=-8.5!) USER MOD Set 4.5: A 394 CYS SG : rot 70:sc= 0.437 USER MOD Set 5.1: A 353 CYS SG : rot 145:sc= -0.552 USER MOD Set 5.2: A 358 CYS SG : rot -167:sc= -3.89! USER MOD Set 5.3: A 373 CYS SG : rot -154:sc= -0.0744! USER MOD Set 5.4: A 377 CYS SG : rot -79:sc= 1.67 USER MOD Single : A 355 GLN : amide:sc= 0.899 K(o=0.9,f=-5.2!) USER MOD Single : A 360 MET CE :methyl 156:sc= -0.452 (180deg=-1.05) USER MOD Single : A 368 CYS SG : rot 180:sc= 0 USER MOD Single : A 370 LYS NZ :NH3+ 165:sc= -1.74! (180deg=-2.74!) USER MOD Single : A 372 THR OG1 : rot 180:sc= 0 USER MOD Single : A 374 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 375 ASN : amide:sc= -0.0068 K(o=-0.0068,f=-0.55) USER MOD Single : A 379 TYR OH : rot 180:sc= 0 USER MOD Single : A 384 ASN : amide:sc= -2.5 K(o=-2.5,f=-4.8!) USER MOD Single : A 389 TYR OH : rot -173:sc= 0.271 USER MOD Single : A 432 SER OG : rot 180:sc= 0 USER MOD Single : A 433 THR OG1 : rot -110:sc= -1.21 USER MOD Single : A 438 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 449 CYS SG : rot 180:sc= 0 USER MOD Single : A 450 MET CE :methyl -150:sc= -0.364 (180deg=-0.978) USER MOD Single : A 451 HIS : no HD1:sc= 1.1 K(o=1.1,f=-6.3!) USER MOD Single : A 452 MET CE :methyl -135:sc= -0.858 (180deg=-3.36!) USER MOD Single : A 455 THR OG1 : rot 51:sc= 0.197 USER MOD Single : A 472 THR OG1 : rot 180:sc= 0.00477 USER MOD Single : A 476 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 123 N GLY A 350 10.117 1.489 1.126 1.00 0.00 N ATOM 124 CA GLY A 350 9.291 1.369 -0.042 1.00 0.00 C ATOM 125 C GLY A 350 8.122 0.439 0.169 1.00 0.00 C ATOM 126 O GLY A 350 7.616 0.304 1.284 1.00 0.00 O ATOM 0 HA2 GLY A 350 8.921 2.355 -0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 350 9.894 1.006 -0.874 1.00 0.00 H new ATOM 130 N VAL A 351 7.706 -0.200 -0.899 1.00 0.00 N ATOM 131 CA VAL A 351 6.590 -1.124 -0.885 1.00 0.00 C ATOM 132 C VAL A 351 6.764 -2.101 -2.064 1.00 0.00 C ATOM 133 O VAL A 351 7.700 -1.959 -2.837 1.00 0.00 O ATOM 134 CB VAL A 351 5.235 -0.345 -0.988 1.00 0.00 C ATOM 135 CG1 VAL A 351 5.057 0.289 -2.359 1.00 0.00 C ATOM 136 CG2 VAL A 351 4.041 -1.221 -0.622 1.00 0.00 C ATOM 0 H VAL A 351 8.138 -0.093 -1.817 1.00 0.00 H new ATOM 0 HA VAL A 351 6.570 -1.682 0.051 1.00 0.00 H new ATOM 0 HB VAL A 351 5.278 0.461 -0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 351 4.106 0.821 -2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 351 5.871 0.989 -2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 351 5.066 -0.488 -3.123 1.00 0.00 H new ATOM 0 HG21 VAL A 351 3.123 -0.639 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 351 3.994 -2.074 -1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 351 4.151 -1.577 0.402 1.00 0.00 H new ATOM 146 N LEU A 352 5.911 -3.083 -2.189 1.00 0.00 N ATOM 147 CA LEU A 352 6.027 -4.045 -3.279 1.00 0.00 C ATOM 148 C LEU A 352 4.719 -4.203 -4.013 1.00 0.00 C ATOM 149 O LEU A 352 3.648 -4.022 -3.435 1.00 0.00 O ATOM 150 CB LEU A 352 6.502 -5.422 -2.789 1.00 0.00 C ATOM 151 CG LEU A 352 8.000 -5.572 -2.504 1.00 0.00 C ATOM 152 CD1 LEU A 352 8.363 -5.017 -1.136 1.00 0.00 C ATOM 153 CD2 LEU A 352 8.413 -7.029 -2.629 1.00 0.00 C ATOM 0 H LEU A 352 5.127 -3.247 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 352 6.777 -3.644 -3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 352 5.956 -5.666 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 352 6.222 -6.164 -3.536 1.00 0.00 H new ATOM 0 HG LEU A 352 8.548 -4.990 -3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 352 9.433 -5.139 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 352 8.108 -3.958 -1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 352 7.809 -5.555 -0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 352 9.479 -7.124 -2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 352 7.851 -7.629 -1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 352 8.205 -7.381 -3.639 1.00 0.00 H new ATOM 165 N CYS A 353 4.819 -4.531 -5.297 1.00 0.00 N ATOM 166 CA CYS A 353 3.657 -4.771 -6.115 1.00 0.00 C ATOM 167 C CYS A 353 2.901 -5.989 -5.581 1.00 0.00 C ATOM 168 O CYS A 353 3.496 -7.050 -5.370 1.00 0.00 O ATOM 169 CB CYS A 353 4.077 -4.975 -7.581 1.00 0.00 C ATOM 170 SG CYS A 353 2.714 -5.399 -8.721 1.00 0.00 S ATOM 0 H CYS A 353 5.707 -4.635 -5.789 1.00 0.00 H new ATOM 0 HA CYS A 353 2.994 -3.907 -6.074 1.00 0.00 H new ATOM 0 HB2 CYS A 353 4.558 -4.063 -7.936 1.00 0.00 H new ATOM 0 HB3 CYS A 353 4.825 -5.767 -7.622 1.00 0.00 H new ATOM 0 HG CYS A 353 2.937 -4.860 -9.883 1.00 0.00 H new ATOM 175 N PRO A 354 1.581 -5.844 -5.346 1.00 0.00 N ATOM 176 CA PRO A 354 0.742 -6.911 -4.778 1.00 0.00 C ATOM 177 C PRO A 354 0.571 -8.098 -5.713 1.00 0.00 C ATOM 178 O PRO A 354 0.026 -9.131 -5.319 1.00 0.00 O ATOM 179 CB PRO A 354 -0.615 -6.230 -4.554 1.00 0.00 C ATOM 180 CG PRO A 354 -0.344 -4.771 -4.666 1.00 0.00 C ATOM 181 CD PRO A 354 0.804 -4.633 -5.608 1.00 0.00 C ATOM 0 HA PRO A 354 1.193 -7.321 -3.874 1.00 0.00 H new ATOM 0 HB2 PRO A 354 -1.345 -6.553 -5.297 1.00 0.00 H new ATOM 0 HB3 PRO A 354 -1.024 -6.480 -3.575 1.00 0.00 H new ATOM 0 HG2 PRO A 354 -1.220 -4.240 -5.039 1.00 0.00 H new ATOM 0 HG3 PRO A 354 -0.103 -4.344 -3.693 1.00 0.00 H new ATOM 0 HD2 PRO A 354 0.473 -4.581 -6.645 1.00 0.00 H new ATOM 0 HD3 PRO A 354 1.383 -3.730 -5.412 1.00 0.00 H new ATOM 189 N GLN A 355 1.016 -7.944 -6.949 1.00 0.00 N ATOM 190 CA GLN A 355 0.922 -9.014 -7.923 1.00 0.00 C ATOM 191 C GLN A 355 1.815 -10.184 -7.455 1.00 0.00 C ATOM 192 O GLN A 355 3.015 -10.007 -7.234 1.00 0.00 O ATOM 193 CB GLN A 355 1.340 -8.493 -9.308 1.00 0.00 C ATOM 194 CG GLN A 355 0.640 -9.165 -10.490 1.00 0.00 C ATOM 195 CD GLN A 355 1.119 -10.573 -10.758 1.00 0.00 C ATOM 196 OE1 GLN A 355 2.270 -10.903 -10.514 1.00 0.00 O ATOM 197 NE2 GLN A 355 0.240 -11.408 -11.274 1.00 0.00 N ATOM 0 H GLN A 355 1.446 -7.088 -7.300 1.00 0.00 H new ATOM 0 HA GLN A 355 -0.104 -9.372 -8.006 1.00 0.00 H new ATOM 0 HB2 GLN A 355 1.144 -7.422 -9.351 1.00 0.00 H new ATOM 0 HB3 GLN A 355 2.416 -8.625 -9.420 1.00 0.00 H new ATOM 0 HG2 GLN A 355 -0.433 -9.185 -10.302 1.00 0.00 H new ATOM 0 HG3 GLN A 355 0.795 -8.561 -11.384 1.00 0.00 H new ATOM 0 HE21 GLN A 355 -0.712 -11.094 -11.463 1.00 0.00 H new ATOM 0 HE22 GLN A 355 0.511 -12.369 -11.484 1.00 0.00 H new ATOM 206 N PRO A 356 1.219 -11.385 -7.283 1.00 0.00 N ATOM 207 CA PRO A 356 1.906 -12.573 -6.722 1.00 0.00 C ATOM 208 C PRO A 356 3.208 -12.963 -7.432 1.00 0.00 C ATOM 209 O PRO A 356 4.109 -13.531 -6.813 1.00 0.00 O ATOM 210 CB PRO A 356 0.864 -13.697 -6.864 1.00 0.00 C ATOM 211 CG PRO A 356 -0.155 -13.167 -7.818 1.00 0.00 C ATOM 212 CD PRO A 356 -0.176 -11.685 -7.620 1.00 0.00 C ATOM 0 HA PRO A 356 2.225 -12.372 -5.699 1.00 0.00 H new ATOM 0 HB2 PRO A 356 1.320 -14.612 -7.243 1.00 0.00 H new ATOM 0 HB3 PRO A 356 0.414 -13.941 -5.902 1.00 0.00 H new ATOM 0 HG2 PRO A 356 0.105 -13.419 -8.846 1.00 0.00 H new ATOM 0 HG3 PRO A 356 -1.136 -13.601 -7.622 1.00 0.00 H new ATOM 0 HD2 PRO A 356 -0.497 -11.161 -8.520 1.00 0.00 H new ATOM 0 HD3 PRO A 356 -0.857 -11.393 -6.821 1.00 0.00 H new ATOM 220 N GLY A 357 3.311 -12.660 -8.711 1.00 0.00 N ATOM 221 CA GLY A 357 4.499 -13.025 -9.454 1.00 0.00 C ATOM 222 C GLY A 357 5.366 -11.831 -9.793 1.00 0.00 C ATOM 223 O GLY A 357 6.232 -11.911 -10.676 1.00 0.00 O ATOM 0 H GLY A 357 2.598 -12.169 -9.250 1.00 0.00 H new ATOM 0 HA2 GLY A 357 5.082 -13.738 -8.872 1.00 0.00 H new ATOM 0 HA3 GLY A 357 4.206 -13.529 -10.375 1.00 0.00 H new ATOM 227 N CYS A 358 5.141 -10.724 -9.105 1.00 0.00 N ATOM 228 CA CYS A 358 5.902 -9.519 -9.347 1.00 0.00 C ATOM 229 C CYS A 358 6.901 -9.285 -8.215 1.00 0.00 C ATOM 230 O CYS A 358 7.981 -9.887 -8.199 1.00 0.00 O ATOM 231 CB CYS A 358 4.959 -8.322 -9.502 1.00 0.00 C ATOM 232 SG CYS A 358 5.725 -6.840 -10.212 1.00 0.00 S ATOM 0 H CYS A 358 4.435 -10.639 -8.374 1.00 0.00 H new ATOM 0 HA CYS A 358 6.463 -9.635 -10.274 1.00 0.00 H new ATOM 0 HB2 CYS A 358 4.120 -8.617 -10.131 1.00 0.00 H new ATOM 0 HB3 CYS A 358 4.550 -8.070 -8.523 1.00 0.00 H new ATOM 0 HG CYS A 358 4.938 -5.820 -10.039 1.00 0.00 H new ATOM 237 N GLY A 359 6.526 -8.440 -7.260 1.00 0.00 N ATOM 238 CA GLY A 359 7.384 -8.154 -6.127 1.00 0.00 C ATOM 239 C GLY A 359 8.729 -7.574 -6.530 1.00 0.00 C ATOM 240 O GLY A 359 9.733 -7.811 -5.862 1.00 0.00 O ATOM 0 H GLY A 359 5.634 -7.945 -7.252 1.00 0.00 H new ATOM 0 HA2 GLY A 359 6.877 -7.454 -5.463 1.00 0.00 H new ATOM 0 HA3 GLY A 359 7.545 -9.071 -5.560 1.00 0.00 H new ATOM 244 N MET A 360 8.750 -6.811 -7.618 1.00 0.00 N ATOM 245 CA MET A 360 9.988 -6.200 -8.103 1.00 0.00 C ATOM 246 C MET A 360 10.536 -5.158 -7.128 1.00 0.00 C ATOM 247 O MET A 360 11.750 -4.990 -7.003 1.00 0.00 O ATOM 248 CB MET A 360 9.816 -5.615 -9.521 1.00 0.00 C ATOM 249 CG MET A 360 8.406 -5.169 -9.864 1.00 0.00 C ATOM 250 SD MET A 360 7.827 -3.826 -8.847 1.00 0.00 S ATOM 251 CE MET A 360 8.873 -2.523 -9.450 1.00 0.00 C ATOM 0 H MET A 360 7.927 -6.600 -8.182 1.00 0.00 H new ATOM 0 HA MET A 360 10.730 -6.996 -8.166 1.00 0.00 H new ATOM 0 HB2 MET A 360 10.487 -4.763 -9.630 1.00 0.00 H new ATOM 0 HB3 MET A 360 10.131 -6.364 -10.248 1.00 0.00 H new ATOM 0 HG2 MET A 360 8.373 -4.864 -10.910 1.00 0.00 H new ATOM 0 HG3 MET A 360 7.728 -6.016 -9.757 1.00 0.00 H new ATOM 0 HE1 MET A 360 8.398 -1.560 -9.265 1.00 0.00 H new ATOM 0 HE2 MET A 360 9.833 -2.559 -8.935 1.00 0.00 H new ATOM 0 HE3 MET A 360 9.031 -2.650 -10.521 1.00 0.00 H new ATOM 261 N GLY A 361 9.651 -4.470 -6.436 1.00 0.00 N ATOM 262 CA GLY A 361 10.087 -3.505 -5.455 1.00 0.00 C ATOM 263 C GLY A 361 9.778 -2.083 -5.851 1.00 0.00 C ATOM 264 O GLY A 361 10.408 -1.525 -6.746 1.00 0.00 O ATOM 0 H GLY A 361 8.640 -4.561 -6.534 1.00 0.00 H new ATOM 0 HA2 GLY A 361 9.608 -3.723 -4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 361 11.161 -3.609 -5.303 1.00 0.00 H new ATOM 268 N LEU A 362 8.816 -1.501 -5.186 1.00 0.00 N ATOM 269 CA LEU A 362 8.424 -0.133 -5.433 1.00 0.00 C ATOM 270 C LEU A 362 9.052 0.768 -4.394 1.00 0.00 C ATOM 271 O LEU A 362 9.053 0.458 -3.204 1.00 0.00 O ATOM 272 CB LEU A 362 6.897 0.011 -5.397 1.00 0.00 C ATOM 273 CG LEU A 362 6.127 -0.412 -6.661 1.00 0.00 C ATOM 274 CD1 LEU A 362 6.660 0.300 -7.895 1.00 0.00 C ATOM 275 CD2 LEU A 362 6.170 -1.919 -6.848 1.00 0.00 C ATOM 0 H LEU A 362 8.277 -1.962 -4.453 1.00 0.00 H new ATOM 0 HA LEU A 362 8.771 0.156 -6.425 1.00 0.00 H new ATOM 0 HB2 LEU A 362 6.521 -0.575 -4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 362 6.660 1.054 -5.188 1.00 0.00 H new ATOM 0 HG LEU A 362 5.086 -0.117 -6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 362 6.096 -0.020 -8.771 1.00 0.00 H new ATOM 0 HD12 LEU A 362 6.553 1.377 -7.768 1.00 0.00 H new ATOM 0 HD13 LEU A 362 7.713 0.053 -8.031 1.00 0.00 H new ATOM 0 HD21 LEU A 362 5.618 -2.190 -7.748 1.00 0.00 H new ATOM 0 HD22 LEU A 362 7.206 -2.244 -6.946 1.00 0.00 H new ATOM 0 HD23 LEU A 362 5.717 -2.406 -5.984 1.00 0.00 H new ATOM 287 N LEU A 363 9.582 1.869 -4.831 1.00 0.00 N ATOM 288 CA LEU A 363 10.240 2.783 -3.930 1.00 0.00 C ATOM 289 C LEU A 363 9.395 4.032 -3.762 1.00 0.00 C ATOM 290 O LEU A 363 8.963 4.638 -4.748 1.00 0.00 O ATOM 291 CB LEU A 363 11.635 3.141 -4.467 1.00 0.00 C ATOM 292 CG LEU A 363 12.719 3.472 -3.418 1.00 0.00 C ATOM 293 CD1 LEU A 363 12.377 4.732 -2.642 1.00 0.00 C ATOM 294 CD2 LEU A 363 12.927 2.298 -2.469 1.00 0.00 C ATOM 0 H LEU A 363 9.575 2.163 -5.808 1.00 0.00 H new ATOM 0 HA LEU A 363 10.359 2.307 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 363 11.991 2.307 -5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 363 11.533 3.998 -5.133 1.00 0.00 H new ATOM 0 HG LEU A 363 13.651 3.655 -3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 363 13.162 4.934 -1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 363 12.296 5.573 -3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 363 11.428 4.594 -2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 363 13.695 2.552 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 363 11.993 2.078 -1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 363 13.242 1.423 -3.037 1.00 0.00 H new ATOM 306 N VAL A 364 9.139 4.403 -2.521 1.00 0.00 N ATOM 307 CA VAL A 364 8.369 5.593 -2.244 1.00 0.00 C ATOM 308 C VAL A 364 9.245 6.828 -2.424 1.00 0.00 C ATOM 309 O VAL A 364 9.965 7.246 -1.510 1.00 0.00 O ATOM 310 CB VAL A 364 7.755 5.577 -0.821 1.00 0.00 C ATOM 311 CG1 VAL A 364 6.968 6.856 -0.556 1.00 0.00 C ATOM 312 CG2 VAL A 364 6.858 4.360 -0.644 1.00 0.00 C ATOM 0 H VAL A 364 9.454 3.896 -1.693 1.00 0.00 H new ATOM 0 HA VAL A 364 7.541 5.621 -2.952 1.00 0.00 H new ATOM 0 HB VAL A 364 8.570 5.520 -0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 364 6.546 6.822 0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 364 7.632 7.716 -0.642 1.00 0.00 H new ATOM 0 HG13 VAL A 364 6.162 6.945 -1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 364 6.434 4.363 0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 364 6.052 4.392 -1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 364 7.444 3.452 -0.788 1.00 0.00 H new ATOM 322 N GLU A 365 9.218 7.365 -3.618 1.00 0.00 N ATOM 323 CA GLU A 365 9.984 8.541 -3.954 1.00 0.00 C ATOM 324 C GLU A 365 9.174 9.793 -3.684 1.00 0.00 C ATOM 325 O GLU A 365 7.950 9.779 -3.806 1.00 0.00 O ATOM 326 CB GLU A 365 10.391 8.493 -5.424 1.00 0.00 C ATOM 327 CG GLU A 365 11.469 7.478 -5.731 1.00 0.00 C ATOM 328 CD GLU A 365 12.822 7.913 -5.228 1.00 0.00 C ATOM 329 OE1 GLU A 365 13.520 8.650 -5.955 1.00 0.00 O1- ATOM 330 OE2 GLU A 365 13.201 7.522 -4.112 1.00 0.00 O ATOM 0 H GLU A 365 8.661 6.997 -4.389 1.00 0.00 H new ATOM 0 HA GLU A 365 10.880 8.564 -3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 365 9.511 8.267 -6.027 1.00 0.00 H new ATOM 0 HB3 GLU A 365 10.739 9.481 -5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 365 11.205 6.522 -5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 365 11.518 7.318 -6.808 1.00 0.00 H new ATOM 337 N PRO A 366 9.837 10.892 -3.310 1.00 0.00 N ATOM 338 CA PRO A 366 9.164 12.171 -3.060 1.00 0.00 C ATOM 339 C PRO A 366 8.487 12.707 -4.321 1.00 0.00 C ATOM 340 O PRO A 366 7.548 13.499 -4.253 1.00 0.00 O ATOM 341 CB PRO A 366 10.305 13.102 -2.629 1.00 0.00 C ATOM 342 CG PRO A 366 11.547 12.452 -3.133 1.00 0.00 C ATOM 343 CD PRO A 366 11.288 10.980 -3.085 1.00 0.00 C ATOM 0 HA PRO A 366 8.373 12.082 -2.316 1.00 0.00 H new ATOM 0 HB2 PRO A 366 10.182 14.099 -3.053 1.00 0.00 H new ATOM 0 HB3 PRO A 366 10.332 13.217 -1.545 1.00 0.00 H new ATOM 0 HG2 PRO A 366 11.773 12.776 -4.149 1.00 0.00 H new ATOM 0 HG3 PRO A 366 12.405 12.718 -2.516 1.00 0.00 H new ATOM 0 HD2 PRO A 366 11.849 10.446 -3.853 1.00 0.00 H new ATOM 0 HD3 PRO A 366 11.574 10.551 -2.125 1.00 0.00 H new ATOM 351 N ASP A 367 8.970 12.254 -5.472 1.00 0.00 N ATOM 352 CA ASP A 367 8.423 12.664 -6.753 1.00 0.00 C ATOM 353 C ASP A 367 7.473 11.601 -7.290 1.00 0.00 C ATOM 354 O ASP A 367 7.041 11.660 -8.438 1.00 0.00 O ATOM 355 CB ASP A 367 9.547 12.916 -7.764 1.00 0.00 C ATOM 356 CG ASP A 367 10.218 11.639 -8.227 1.00 0.00 C ATOM 357 OD1 ASP A 367 10.831 10.943 -7.384 1.00 0.00 O ATOM 358 OD2 ASP A 367 10.143 11.325 -9.441 1.00 0.00 O1- ATOM 0 H ASP A 367 9.747 11.597 -5.540 1.00 0.00 H new ATOM 0 HA ASP A 367 7.870 13.592 -6.605 1.00 0.00 H new ATOM 0 HB2 ASP A 367 9.141 13.441 -8.628 1.00 0.00 H new ATOM 0 HB3 ASP A 367 10.294 13.571 -7.315 1.00 0.00 H new ATOM 363 N CYS A 368 7.147 10.625 -6.462 1.00 0.00 N ATOM 364 CA CYS A 368 6.236 9.579 -6.870 1.00 0.00 C ATOM 365 C CYS A 368 4.806 9.987 -6.542 1.00 0.00 C ATOM 366 O CYS A 368 4.235 9.575 -5.527 1.00 0.00 O ATOM 367 CB CYS A 368 6.591 8.237 -6.208 1.00 0.00 C ATOM 368 SG CYS A 368 5.653 6.817 -6.832 1.00 0.00 S ATOM 0 H CYS A 368 7.499 10.538 -5.509 1.00 0.00 H new ATOM 0 HA CYS A 368 6.327 9.441 -7.947 1.00 0.00 H new ATOM 0 HB2 CYS A 368 7.654 8.045 -6.353 1.00 0.00 H new ATOM 0 HB3 CYS A 368 6.426 8.322 -5.134 1.00 0.00 H new ATOM 0 HG CYS A 368 6.031 5.740 -6.210 1.00 0.00 H new ATOM 374 N ARG A 369 4.246 10.837 -7.389 1.00 0.00 N ATOM 375 CA ARG A 369 2.888 11.318 -7.200 1.00 0.00 C ATOM 376 C ARG A 369 1.877 10.220 -7.514 1.00 0.00 C ATOM 377 O ARG A 369 0.741 10.248 -7.039 1.00 0.00 O ATOM 378 CB ARG A 369 2.608 12.579 -8.052 1.00 0.00 C ATOM 379 CG ARG A 369 2.488 12.343 -9.565 1.00 0.00 C ATOM 380 CD ARG A 369 3.825 12.009 -10.218 1.00 0.00 C ATOM 381 NE ARG A 369 4.816 13.067 -10.025 1.00 0.00 N ATOM 382 CZ ARG A 369 5.902 13.235 -10.787 1.00 0.00 C ATOM 383 NH1 ARG A 369 6.138 12.421 -11.811 1.00 0.00 N1+ ATOM 384 NH2 ARG A 369 6.752 14.216 -10.519 1.00 0.00 N ATOM 0 H ARG A 369 4.713 11.208 -8.216 1.00 0.00 H new ATOM 0 HA ARG A 369 2.781 11.597 -6.152 1.00 0.00 H new ATOM 0 HB2 ARG A 369 1.684 13.036 -7.699 1.00 0.00 H new ATOM 0 HB3 ARG A 369 3.407 13.299 -7.877 1.00 0.00 H new ATOM 0 HG2 ARG A 369 1.786 11.529 -9.747 1.00 0.00 H new ATOM 0 HG3 ARG A 369 2.071 13.234 -10.035 1.00 0.00 H new ATOM 0 HD2 ARG A 369 4.207 11.076 -9.803 1.00 0.00 H new ATOM 0 HD3 ARG A 369 3.675 11.845 -11.285 1.00 0.00 H new ATOM 0 HE ARG A 369 4.669 13.722 -9.257 1.00 0.00 H new ATOM 0 HH11 ARG A 369 5.489 11.662 -12.020 1.00 0.00 H new ATOM 0 HH12 ARG A 369 6.968 12.555 -12.388 1.00 0.00 H new ATOM 0 HH21 ARG A 369 6.577 14.841 -9.732 1.00 0.00 H new ATOM 0 HH22 ARG A 369 7.581 14.345 -11.099 1.00 0.00 H new ATOM 398 N LYS A 370 2.301 9.251 -8.307 1.00 0.00 N ATOM 399 CA LYS A 370 1.449 8.140 -8.673 1.00 0.00 C ATOM 400 C LYS A 370 2.190 6.827 -8.570 1.00 0.00 C ATOM 401 O LYS A 370 3.135 6.575 -9.313 1.00 0.00 O ATOM 402 CB LYS A 370 0.884 8.311 -10.088 1.00 0.00 C ATOM 403 CG LYS A 370 -0.369 9.175 -10.161 1.00 0.00 C ATOM 404 CD LYS A 370 -1.539 8.554 -9.386 1.00 0.00 C ATOM 405 CE LYS A 370 -2.274 7.458 -10.175 1.00 0.00 C ATOM 406 NZ LYS A 370 -1.396 6.333 -10.608 1.00 0.00 N1+ ATOM 0 H LYS A 370 3.237 9.214 -8.710 1.00 0.00 H new ATOM 0 HA LYS A 370 0.617 8.128 -7.969 1.00 0.00 H new ATOM 0 HB2 LYS A 370 1.653 8.751 -10.723 1.00 0.00 H new ATOM 0 HB3 LYS A 370 0.657 7.327 -10.498 1.00 0.00 H new ATOM 0 HG2 LYS A 370 -0.152 10.164 -9.759 1.00 0.00 H new ATOM 0 HG3 LYS A 370 -0.656 9.311 -11.204 1.00 0.00 H new ATOM 0 HD2 LYS A 370 -1.165 8.132 -8.453 1.00 0.00 H new ATOM 0 HD3 LYS A 370 -2.248 9.339 -9.120 1.00 0.00 H new ATOM 0 HE2 LYS A 370 -3.081 7.060 -9.560 1.00 0.00 H new ATOM 0 HE3 LYS A 370 -2.736 7.905 -11.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 370 -1.984 5.527 -10.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 370 -0.806 6.641 -11.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 370 -0.785 6.045 -9.817 1.00 0.00 H new ATOM 420 N VAL A 371 1.767 6.000 -7.641 1.00 0.00 N ATOM 421 CA VAL A 371 2.355 4.695 -7.482 1.00 0.00 C ATOM 422 C VAL A 371 1.664 3.696 -8.400 1.00 0.00 C ATOM 423 O VAL A 371 0.477 3.386 -8.243 1.00 0.00 O ATOM 424 CB VAL A 371 2.299 4.212 -6.008 1.00 0.00 C ATOM 425 CG1 VAL A 371 0.915 4.353 -5.440 1.00 0.00 C ATOM 426 CG2 VAL A 371 2.809 2.782 -5.874 1.00 0.00 C ATOM 0 H VAL A 371 1.016 6.211 -6.984 1.00 0.00 H new ATOM 0 HA VAL A 371 3.407 4.767 -7.759 1.00 0.00 H new ATOM 0 HB VAL A 371 2.961 4.853 -5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 371 0.909 4.006 -4.407 1.00 0.00 H new ATOM 0 HG12 VAL A 371 0.613 5.400 -5.474 1.00 0.00 H new ATOM 0 HG13 VAL A 371 0.218 3.755 -6.027 1.00 0.00 H new ATOM 0 HG21 VAL A 371 2.757 2.473 -4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 371 2.193 2.118 -6.480 1.00 0.00 H new ATOM 0 HG23 VAL A 371 3.843 2.731 -6.216 1.00 0.00 H new ATOM 436 N THR A 372 2.403 3.230 -9.368 1.00 0.00 N ATOM 437 CA THR A 372 1.915 2.275 -10.322 1.00 0.00 C ATOM 438 C THR A 372 3.057 1.374 -10.743 1.00 0.00 C ATOM 439 O THR A 372 4.188 1.843 -10.922 1.00 0.00 O ATOM 440 CB THR A 372 1.334 2.983 -11.577 1.00 0.00 C ATOM 441 OG1 THR A 372 0.240 3.842 -11.205 1.00 0.00 O ATOM 442 CG2 THR A 372 0.854 1.967 -12.611 1.00 0.00 C ATOM 0 H THR A 372 3.373 3.507 -9.518 1.00 0.00 H new ATOM 0 HA THR A 372 1.119 1.694 -9.857 1.00 0.00 H new ATOM 0 HB THR A 372 2.131 3.580 -12.020 1.00 0.00 H new ATOM 0 HG1 THR A 372 -0.116 4.283 -12.004 1.00 0.00 H new ATOM 0 HG21 THR A 372 0.453 2.492 -13.478 1.00 0.00 H new ATOM 0 HG22 THR A 372 1.690 1.341 -12.921 1.00 0.00 H new ATOM 0 HG23 THR A 372 0.076 1.342 -12.173 1.00 0.00 H new ATOM 450 N CYS A 373 2.784 0.089 -10.870 1.00 0.00 N ATOM 451 CA CYS A 373 3.790 -0.847 -11.310 1.00 0.00 C ATOM 452 C CYS A 373 4.017 -0.690 -12.809 1.00 0.00 C ATOM 453 O CYS A 373 3.493 -1.451 -13.614 1.00 0.00 O ATOM 454 CB CYS A 373 3.377 -2.279 -10.975 1.00 0.00 C ATOM 455 SG CYS A 373 4.696 -3.508 -11.188 1.00 0.00 S ATOM 0 H CYS A 373 1.873 -0.326 -10.674 1.00 0.00 H new ATOM 0 HA CYS A 373 4.723 -0.635 -10.787 1.00 0.00 H new ATOM 0 HB2 CYS A 373 3.029 -2.312 -9.942 1.00 0.00 H new ATOM 0 HB3 CYS A 373 2.532 -2.558 -11.605 1.00 0.00 H new ATOM 0 HG CYS A 373 4.170 -4.674 -11.418 1.00 0.00 H new ATOM 460 N GLN A 374 4.734 0.346 -13.173 1.00 0.00 N ATOM 461 CA GLN A 374 5.046 0.612 -14.561 1.00 0.00 C ATOM 462 C GLN A 374 6.292 -0.150 -14.969 1.00 0.00 C ATOM 463 O GLN A 374 6.377 -0.690 -16.072 1.00 0.00 O ATOM 464 CB GLN A 374 5.240 2.111 -14.790 1.00 0.00 C ATOM 465 CG GLN A 374 4.017 2.950 -14.458 1.00 0.00 C ATOM 466 CD GLN A 374 4.247 4.428 -14.696 1.00 0.00 C ATOM 467 OE1 GLN A 374 4.679 5.158 -13.801 1.00 0.00 O ATOM 468 NE2 GLN A 374 3.965 4.879 -15.900 1.00 0.00 N ATOM 0 H GLN A 374 5.118 1.028 -12.519 1.00 0.00 H new ATOM 0 HA GLN A 374 4.211 0.277 -15.176 1.00 0.00 H new ATOM 0 HB2 GLN A 374 6.079 2.455 -14.185 1.00 0.00 H new ATOM 0 HB3 GLN A 374 5.510 2.277 -15.833 1.00 0.00 H new ATOM 0 HG2 GLN A 374 3.175 2.614 -15.063 1.00 0.00 H new ATOM 0 HG3 GLN A 374 3.743 2.791 -13.415 1.00 0.00 H new ATOM 0 HE21 GLN A 374 3.609 4.242 -16.613 1.00 0.00 H new ATOM 0 HE22 GLN A 374 4.102 5.865 -16.120 1.00 0.00 H new ATOM 477 N ASN A 375 7.245 -0.209 -14.059 1.00 0.00 N ATOM 478 CA ASN A 375 8.511 -0.880 -14.310 1.00 0.00 C ATOM 479 C ASN A 375 8.365 -2.398 -14.181 1.00 0.00 C ATOM 480 O ASN A 375 9.185 -3.157 -14.690 1.00 0.00 O ATOM 481 CB ASN A 375 9.568 -0.362 -13.329 1.00 0.00 C ATOM 482 CG ASN A 375 10.947 -0.943 -13.566 1.00 0.00 C ATOM 483 OD1 ASN A 375 11.320 -1.263 -14.697 1.00 0.00 O ATOM 484 ND2 ASN A 375 11.716 -1.073 -12.507 1.00 0.00 N ATOM 0 H ASN A 375 7.167 0.203 -13.129 1.00 0.00 H new ATOM 0 HA ASN A 375 8.825 -0.661 -15.331 1.00 0.00 H new ATOM 0 HB2 ASN A 375 9.622 0.724 -13.405 1.00 0.00 H new ATOM 0 HB3 ASN A 375 9.254 -0.595 -12.312 1.00 0.00 H new ATOM 0 HD21 ASN A 375 12.659 -1.450 -12.604 1.00 0.00 H new ATOM 0 HD22 ASN A 375 11.370 -0.796 -11.588 1.00 0.00 H new ATOM 491 N GLY A 376 7.307 -2.834 -13.527 1.00 0.00 N ATOM 492 CA GLY A 376 7.082 -4.252 -13.367 1.00 0.00 C ATOM 493 C GLY A 376 6.048 -4.771 -14.335 1.00 0.00 C ATOM 494 O GLY A 376 6.376 -5.171 -15.455 1.00 0.00 O ATOM 0 H GLY A 376 6.599 -2.234 -13.104 1.00 0.00 H new ATOM 0 HA2 GLY A 376 8.020 -4.787 -13.516 1.00 0.00 H new ATOM 0 HA3 GLY A 376 6.758 -4.455 -12.346 1.00 0.00 H new ATOM 498 N CYS A 377 4.799 -4.746 -13.918 1.00 0.00 N ATOM 499 CA CYS A 377 3.704 -5.210 -14.742 1.00 0.00 C ATOM 500 C CYS A 377 2.651 -4.122 -14.894 1.00 0.00 C ATOM 501 O CYS A 377 2.718 -3.294 -15.810 1.00 0.00 O ATOM 502 CB CYS A 377 3.085 -6.486 -14.146 1.00 0.00 C ATOM 503 SG CYS A 377 2.750 -6.405 -12.349 1.00 0.00 S ATOM 0 H CYS A 377 4.515 -4.404 -13.000 1.00 0.00 H new ATOM 0 HA CYS A 377 4.094 -5.448 -15.732 1.00 0.00 H new ATOM 0 HB2 CYS A 377 2.151 -6.698 -14.667 1.00 0.00 H new ATOM 0 HB3 CYS A 377 3.755 -7.323 -14.340 1.00 0.00 H new ATOM 0 HG CYS A 377 3.856 -6.592 -11.692 1.00 0.00 H new ATOM 508 N GLY A 378 1.689 -4.139 -14.006 1.00 0.00 N ATOM 509 CA GLY A 378 0.656 -3.146 -13.992 1.00 0.00 C ATOM 510 C GLY A 378 -0.210 -3.290 -12.774 1.00 0.00 C ATOM 511 O GLY A 378 -1.002 -4.228 -12.685 1.00 0.00 O ATOM 0 H GLY A 378 1.604 -4.844 -13.274 1.00 0.00 H new ATOM 0 HA2 GLY A 378 1.102 -2.152 -14.010 1.00 0.00 H new ATOM 0 HA3 GLY A 378 0.045 -3.238 -14.890 1.00 0.00 H new ATOM 515 N TYR A 379 -0.069 -2.382 -11.834 1.00 0.00 N ATOM 516 CA TYR A 379 -0.850 -2.439 -10.616 1.00 0.00 C ATOM 517 C TYR A 379 -0.857 -1.081 -9.929 1.00 0.00 C ATOM 518 O TYR A 379 0.191 -0.453 -9.776 1.00 0.00 O ATOM 519 CB TYR A 379 -0.267 -3.499 -9.668 1.00 0.00 C ATOM 520 CG TYR A 379 -1.289 -4.168 -8.764 1.00 0.00 C ATOM 521 CD1 TYR A 379 -1.984 -3.446 -7.799 1.00 0.00 C ATOM 522 CD2 TYR A 379 -1.555 -5.527 -8.880 1.00 0.00 C ATOM 523 CE1 TYR A 379 -2.911 -4.062 -6.978 1.00 0.00 C ATOM 524 CE2 TYR A 379 -2.479 -6.149 -8.063 1.00 0.00 C ATOM 525 CZ TYR A 379 -3.154 -5.413 -7.114 1.00 0.00 C ATOM 526 OH TYR A 379 -4.074 -6.030 -6.295 1.00 0.00 O ATOM 0 H TYR A 379 0.578 -1.596 -11.888 1.00 0.00 H new ATOM 0 HA TYR A 379 -1.875 -2.710 -10.871 1.00 0.00 H new ATOM 0 HB2 TYR A 379 0.230 -4.266 -10.263 1.00 0.00 H new ATOM 0 HB3 TYR A 379 0.497 -3.032 -9.047 1.00 0.00 H new ATOM 0 HD1 TYR A 379 -1.797 -2.388 -7.689 1.00 0.00 H new ATOM 0 HD2 TYR A 379 -1.029 -6.108 -9.623 1.00 0.00 H new ATOM 0 HE1 TYR A 379 -3.442 -3.488 -6.234 1.00 0.00 H new ATOM 0 HE2 TYR A 379 -2.671 -7.207 -8.168 1.00 0.00 H new ATOM 0 HH TYR A 379 -4.127 -6.982 -6.521 1.00 0.00 H new ATOM 536 N VAL A 380 -2.029 -0.626 -9.542 1.00 0.00 N ATOM 537 CA VAL A 380 -2.165 0.616 -8.798 1.00 0.00 C ATOM 538 C VAL A 380 -2.553 0.278 -7.369 1.00 0.00 C ATOM 539 O VAL A 380 -3.556 -0.412 -7.140 1.00 0.00 O ATOM 540 CB VAL A 380 -3.241 1.540 -9.418 1.00 0.00 C ATOM 541 CG1 VAL A 380 -3.322 2.858 -8.660 1.00 0.00 C ATOM 542 CG2 VAL A 380 -2.954 1.785 -10.891 1.00 0.00 C ATOM 0 H VAL A 380 -2.912 -1.100 -9.731 1.00 0.00 H new ATOM 0 HA VAL A 380 -1.214 1.148 -8.830 1.00 0.00 H new ATOM 0 HB VAL A 380 -4.206 1.041 -9.336 1.00 0.00 H new ATOM 0 HG11 VAL A 380 -4.084 3.492 -9.113 1.00 0.00 H new ATOM 0 HG12 VAL A 380 -3.582 2.664 -7.620 1.00 0.00 H new ATOM 0 HG13 VAL A 380 -2.357 3.363 -8.704 1.00 0.00 H new ATOM 0 HG21 VAL A 380 -3.722 2.437 -11.308 1.00 0.00 H new ATOM 0 HG22 VAL A 380 -1.978 2.259 -10.998 1.00 0.00 H new ATOM 0 HG23 VAL A 380 -2.956 0.835 -11.425 1.00 0.00 H new ATOM 552 N PHE A 381 -1.780 0.745 -6.401 1.00 0.00 N ATOM 553 CA PHE A 381 -2.040 0.389 -5.018 1.00 0.00 C ATOM 554 C PHE A 381 -1.542 1.467 -4.102 1.00 0.00 C ATOM 555 O PHE A 381 -1.024 2.460 -4.560 1.00 0.00 O ATOM 556 CB PHE A 381 -1.411 -0.981 -4.671 1.00 0.00 C ATOM 557 CG PHE A 381 0.085 -1.047 -4.857 1.00 0.00 C ATOM 558 CD1 PHE A 381 0.649 -0.990 -6.124 1.00 0.00 C ATOM 559 CD2 PHE A 381 0.919 -1.170 -3.766 1.00 0.00 C ATOM 560 CE1 PHE A 381 2.016 -1.051 -6.290 1.00 0.00 C ATOM 561 CE2 PHE A 381 2.284 -1.233 -3.926 1.00 0.00 C ATOM 562 CZ PHE A 381 2.835 -1.173 -5.188 1.00 0.00 C ATOM 0 H PHE A 381 -0.980 1.362 -6.545 1.00 0.00 H new ATOM 0 HA PHE A 381 -3.117 0.297 -4.880 1.00 0.00 H new ATOM 0 HB2 PHE A 381 -1.647 -1.223 -3.635 1.00 0.00 H new ATOM 0 HB3 PHE A 381 -1.876 -1.748 -5.291 1.00 0.00 H new ATOM 0 HD1 PHE A 381 0.010 -0.897 -6.989 1.00 0.00 H new ATOM 0 HD2 PHE A 381 0.496 -1.217 -2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 381 2.444 -1.003 -7.280 1.00 0.00 H new ATOM 0 HE2 PHE A 381 2.925 -1.330 -3.062 1.00 0.00 H new ATOM 0 HZ PHE A 381 3.907 -1.221 -5.313 1.00 0.00 H new ATOM 572 N CYS A 382 -1.719 1.286 -2.813 1.00 0.00 N ATOM 573 CA CYS A 382 -1.301 2.288 -1.862 1.00 0.00 C ATOM 574 C CYS A 382 0.170 2.102 -1.543 1.00 0.00 C ATOM 575 O CYS A 382 0.758 1.092 -1.885 1.00 0.00 O ATOM 576 CB CYS A 382 -2.149 2.198 -0.595 1.00 0.00 C ATOM 577 SG CYS A 382 -1.941 3.587 0.564 1.00 0.00 S ATOM 0 H CYS A 382 -2.148 0.457 -2.401 1.00 0.00 H new ATOM 0 HA CYS A 382 -1.443 3.279 -2.293 1.00 0.00 H new ATOM 0 HB2 CYS A 382 -3.199 2.136 -0.881 1.00 0.00 H new ATOM 0 HB3 CYS A 382 -1.905 1.271 -0.076 1.00 0.00 H new ATOM 0 HG CYS A 382 -2.530 3.306 1.688 1.00 0.00 H new ATOM 582 N ARG A 383 0.759 3.068 -0.894 1.00 0.00 N ATOM 583 CA ARG A 383 2.162 2.971 -0.554 1.00 0.00 C ATOM 584 C ARG A 383 2.327 2.437 0.860 1.00 0.00 C ATOM 585 O ARG A 383 3.412 1.994 1.248 1.00 0.00 O ATOM 586 CB ARG A 383 2.865 4.320 -0.714 1.00 0.00 C ATOM 587 CG ARG A 383 2.357 5.404 0.215 1.00 0.00 C ATOM 588 CD ARG A 383 3.134 6.695 0.026 1.00 0.00 C ATOM 589 NE ARG A 383 2.853 7.660 1.086 1.00 0.00 N ATOM 590 CZ ARG A 383 3.158 8.961 1.032 1.00 0.00 C ATOM 591 NH1 ARG A 383 3.693 9.484 -0.068 1.00 0.00 N1+ ATOM 592 NH2 ARG A 383 2.898 9.738 2.072 1.00 0.00 N ATOM 0 H ARG A 383 0.299 3.926 -0.590 1.00 0.00 H new ATOM 0 HA ARG A 383 2.632 2.271 -1.245 1.00 0.00 H new ATOM 0 HB2 ARG A 383 3.933 4.182 -0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 383 2.748 4.657 -1.744 1.00 0.00 H new ATOM 0 HG2 ARG A 383 1.298 5.582 0.026 1.00 0.00 H new ATOM 0 HG3 ARG A 383 2.445 5.071 1.249 1.00 0.00 H new ATOM 0 HD2 ARG A 383 4.202 6.477 0.008 1.00 0.00 H new ATOM 0 HD3 ARG A 383 2.881 7.133 -0.940 1.00 0.00 H new ATOM 0 HE ARG A 383 2.391 7.317 1.928 1.00 0.00 H new ATOM 0 HH11 ARG A 383 3.874 8.892 -0.879 1.00 0.00 H new ATOM 0 HH12 ARG A 383 3.923 10.477 -0.101 1.00 0.00 H new ATOM 0 HH21 ARG A 383 2.467 9.344 2.908 1.00 0.00 H new ATOM 0 HH22 ARG A 383 3.128 10.731 2.037 1.00 0.00 H new ATOM 606 N ASN A 384 1.248 2.484 1.629 1.00 0.00 N ATOM 607 CA ASN A 384 1.261 1.989 2.985 1.00 0.00 C ATOM 608 C ASN A 384 0.553 0.658 3.052 1.00 0.00 C ATOM 609 O ASN A 384 0.917 -0.222 3.846 1.00 0.00 O ATOM 610 CB ASN A 384 0.591 2.979 3.948 1.00 0.00 C ATOM 611 CG ASN A 384 1.439 4.205 4.253 1.00 0.00 C ATOM 612 OD1 ASN A 384 2.176 4.702 3.401 1.00 0.00 O ATOM 613 ND2 ASN A 384 1.347 4.690 5.480 1.00 0.00 N ATOM 0 H ASN A 384 0.351 2.864 1.328 1.00 0.00 H new ATOM 0 HA ASN A 384 2.301 1.869 3.289 1.00 0.00 H new ATOM 0 HB2 ASN A 384 -0.358 3.302 3.521 1.00 0.00 H new ATOM 0 HB3 ASN A 384 0.362 2.465 4.882 1.00 0.00 H new ATOM 0 HD21 ASN A 384 1.899 5.505 5.749 1.00 0.00 H new ATOM 0 HD22 ASN A 384 0.724 4.249 6.157 1.00 0.00 H new ATOM 620 N CYS A 385 -0.455 0.506 2.205 1.00 0.00 N ATOM 621 CA CYS A 385 -1.255 -0.696 2.178 1.00 0.00 C ATOM 622 C CYS A 385 -1.538 -1.133 0.750 1.00 0.00 C ATOM 623 O CYS A 385 -0.932 -0.649 -0.190 1.00 0.00 O ATOM 624 CB CYS A 385 -2.566 -0.462 2.919 1.00 0.00 C ATOM 625 SG CYS A 385 -3.597 0.857 2.220 1.00 0.00 S ATOM 0 H CYS A 385 -0.735 1.211 1.524 1.00 0.00 H new ATOM 0 HA CYS A 385 -0.695 -1.490 2.672 1.00 0.00 H new ATOM 0 HB2 CYS A 385 -3.138 -1.390 2.923 1.00 0.00 H new ATOM 0 HB3 CYS A 385 -2.344 -0.220 3.958 1.00 0.00 H new ATOM 0 HG CYS A 385 -3.387 1.963 2.870 1.00 0.00 H new ATOM 630 N LEU A 386 -2.475 -2.040 0.604 1.00 0.00 N ATOM 631 CA LEU A 386 -2.846 -2.572 -0.697 1.00 0.00 C ATOM 632 C LEU A 386 -4.283 -2.190 -1.049 1.00 0.00 C ATOM 633 O LEU A 386 -4.948 -2.885 -1.822 1.00 0.00 O ATOM 634 CB LEU A 386 -2.703 -4.097 -0.689 1.00 0.00 C ATOM 635 CG LEU A 386 -1.306 -4.672 -1.001 1.00 0.00 C ATOM 636 CD1 LEU A 386 -0.258 -4.178 -0.015 1.00 0.00 C ATOM 637 CD2 LEU A 386 -1.356 -6.191 -1.001 1.00 0.00 C ATOM 0 H LEU A 386 -3.005 -2.434 1.381 1.00 0.00 H new ATOM 0 HA LEU A 386 -2.182 -2.146 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 386 -3.007 -4.460 0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 386 -3.407 -4.507 -1.413 1.00 0.00 H new ATOM 0 HG LEU A 386 -1.015 -4.320 -1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 386 0.712 -4.606 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 386 -0.198 -3.091 -0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 386 -0.535 -4.483 0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 386 -0.365 -6.588 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 386 -1.678 -6.544 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 386 -2.061 -6.532 -1.759 1.00 0.00 H new ATOM 649 N GLN A 387 -4.750 -1.068 -0.508 1.00 0.00 N ATOM 650 CA GLN A 387 -6.132 -0.619 -0.730 1.00 0.00 C ATOM 651 C GLN A 387 -6.351 0.044 -2.103 1.00 0.00 C ATOM 652 O GLN A 387 -7.355 0.716 -2.316 1.00 0.00 O ATOM 653 CB GLN A 387 -6.587 0.314 0.389 1.00 0.00 C ATOM 654 CG GLN A 387 -6.913 -0.404 1.686 1.00 0.00 C ATOM 655 CD GLN A 387 -7.566 0.504 2.703 1.00 0.00 C ATOM 656 OE1 GLN A 387 -6.899 1.116 3.533 1.00 0.00 O ATOM 657 NE2 GLN A 387 -8.878 0.612 2.632 1.00 0.00 N ATOM 0 H GLN A 387 -4.197 -0.450 0.087 1.00 0.00 H new ATOM 0 HA GLN A 387 -6.744 -1.521 -0.721 1.00 0.00 H new ATOM 0 HB2 GLN A 387 -5.805 1.049 0.578 1.00 0.00 H new ATOM 0 HB3 GLN A 387 -7.468 0.863 0.057 1.00 0.00 H new ATOM 0 HG2 GLN A 387 -7.575 -1.244 1.476 1.00 0.00 H new ATOM 0 HG3 GLN A 387 -5.997 -0.818 2.108 1.00 0.00 H new ATOM 0 HE21 GLN A 387 -9.396 0.086 1.928 1.00 0.00 H new ATOM 0 HE22 GLN A 387 -9.375 1.221 3.281 1.00 0.00 H new ATOM 666 N GLY A 388 -5.421 -0.149 -3.025 1.00 0.00 N ATOM 667 CA GLY A 388 -5.601 0.378 -4.373 1.00 0.00 C ATOM 668 C GLY A 388 -5.296 1.860 -4.492 1.00 0.00 C ATOM 669 O GLY A 388 -5.704 2.498 -5.460 1.00 0.00 O ATOM 0 H GLY A 388 -4.549 -0.656 -2.872 1.00 0.00 H new ATOM 0 HA2 GLY A 388 -4.957 -0.173 -5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 388 -6.629 0.201 -4.689 1.00 0.00 H new ATOM 673 N TYR A 389 -4.581 2.396 -3.502 1.00 0.00 N ATOM 674 CA TYR A 389 -4.178 3.814 -3.464 1.00 0.00 C ATOM 675 C TYR A 389 -5.365 4.718 -3.140 1.00 0.00 C ATOM 676 O TYR A 389 -6.365 4.740 -3.852 1.00 0.00 O ATOM 677 CB TYR A 389 -3.507 4.243 -4.783 1.00 0.00 C ATOM 678 CG TYR A 389 -2.617 5.477 -4.686 1.00 0.00 C ATOM 679 CD1 TYR A 389 -2.312 6.067 -3.459 1.00 0.00 C ATOM 680 CD2 TYR A 389 -2.071 6.036 -5.830 1.00 0.00 C ATOM 681 CE1 TYR A 389 -1.492 7.180 -3.384 1.00 0.00 C ATOM 682 CE2 TYR A 389 -1.248 7.147 -5.761 1.00 0.00 C ATOM 683 CZ TYR A 389 -0.962 7.714 -4.540 1.00 0.00 C ATOM 684 OH TYR A 389 -0.133 8.816 -4.470 1.00 0.00 O ATOM 0 H TYR A 389 -4.260 1.860 -2.696 1.00 0.00 H new ATOM 0 HA TYR A 389 -3.444 3.923 -2.665 1.00 0.00 H new ATOM 0 HB2 TYR A 389 -2.909 3.411 -5.155 1.00 0.00 H new ATOM 0 HB3 TYR A 389 -4.285 4.433 -5.523 1.00 0.00 H new ATOM 0 HD1 TYR A 389 -2.723 5.648 -2.552 1.00 0.00 H new ATOM 0 HD2 TYR A 389 -2.291 5.598 -6.792 1.00 0.00 H new ATOM 0 HE1 TYR A 389 -1.269 7.627 -2.427 1.00 0.00 H new ATOM 0 HE2 TYR A 389 -0.831 7.568 -6.664 1.00 0.00 H new ATOM 0 HH TYR A 389 0.060 9.138 -5.375 1.00 0.00 H new ATOM 694 N HIS A 390 -5.239 5.454 -2.058 1.00 0.00 N ATOM 695 CA HIS A 390 -6.289 6.356 -1.604 1.00 0.00 C ATOM 696 C HIS A 390 -5.675 7.564 -0.909 1.00 0.00 C ATOM 697 O HIS A 390 -6.035 8.710 -1.189 1.00 0.00 O ATOM 698 CB HIS A 390 -7.280 5.615 -0.671 1.00 0.00 C ATOM 699 CG HIS A 390 -6.633 4.857 0.464 1.00 0.00 C ATOM 700 ND1 HIS A 390 -6.920 5.069 1.791 1.00 0.00 N ATOM 701 CD2 HIS A 390 -5.702 3.868 0.436 1.00 0.00 C ATOM 702 CE1 HIS A 390 -6.175 4.225 2.513 1.00 0.00 C ATOM 703 NE2 HIS A 390 -5.414 3.473 1.734 1.00 0.00 N ATOM 0 H HIS A 390 -4.409 5.448 -1.465 1.00 0.00 H new ATOM 0 HA HIS A 390 -6.850 6.708 -2.469 1.00 0.00 H new ATOM 0 HB2 HIS A 390 -7.977 6.342 -0.254 1.00 0.00 H new ATOM 0 HB3 HIS A 390 -7.867 4.917 -1.268 1.00 0.00 H new ATOM 0 HD2 HIS A 390 -5.256 3.454 -0.457 1.00 0.00 H new ATOM 0 HE1 HIS A 390 -6.192 4.165 3.591 1.00 0.00 H new ATOM 0 HE2 HIS A 390 -4.753 2.753 2.027 1.00 0.00 H new ATOM 711 N ILE A 391 -4.736 7.302 -0.027 1.00 0.00 N ATOM 712 CA ILE A 391 -4.017 8.337 0.673 1.00 0.00 C ATOM 713 C ILE A 391 -2.622 7.817 0.995 1.00 0.00 C ATOM 714 O ILE A 391 -2.410 6.612 1.021 1.00 0.00 O ATOM 715 CB ILE A 391 -4.759 8.766 1.967 1.00 0.00 C ATOM 716 CG1 ILE A 391 -4.121 10.023 2.566 1.00 0.00 C ATOM 717 CG2 ILE A 391 -4.775 7.631 2.984 1.00 0.00 C ATOM 718 CD1 ILE A 391 -4.920 10.627 3.693 1.00 0.00 C ATOM 0 H ILE A 391 -4.449 6.356 0.225 1.00 0.00 H new ATOM 0 HA ILE A 391 -3.948 9.222 0.041 1.00 0.00 H new ATOM 0 HB ILE A 391 -5.791 9.000 1.705 1.00 0.00 H new ATOM 0 HG12 ILE A 391 -3.124 9.776 2.930 1.00 0.00 H new ATOM 0 HG13 ILE A 391 -3.997 10.768 1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 391 -5.300 7.955 3.883 1.00 0.00 H new ATOM 0 HG22 ILE A 391 -5.285 6.767 2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 391 -3.751 7.358 3.241 1.00 0.00 H new ATOM 0 HD11 ILE A 391 -4.408 11.513 4.068 1.00 0.00 H new ATOM 0 HD12 ILE A 391 -5.909 10.906 3.329 1.00 0.00 H new ATOM 0 HD13 ILE A 391 -5.022 9.899 4.498 1.00 0.00 H new ATOM 730 N GLY A 392 -1.678 8.708 1.221 1.00 0.00 N ATOM 731 CA GLY A 392 -0.320 8.286 1.471 1.00 0.00 C ATOM 732 C GLY A 392 -0.028 7.999 2.932 1.00 0.00 C ATOM 733 O GLY A 392 1.123 7.743 3.296 1.00 0.00 O ATOM 0 H GLY A 392 -1.826 9.717 1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -0.114 7.390 0.886 1.00 0.00 H new ATOM 0 HA3 GLY A 392 0.362 9.060 1.119 1.00 0.00 H new ATOM 737 N GLU A 393 -1.048 8.039 3.769 1.00 0.00 N ATOM 738 CA GLU A 393 -0.869 7.781 5.192 1.00 0.00 C ATOM 739 C GLU A 393 -1.956 6.876 5.728 1.00 0.00 C ATOM 740 O GLU A 393 -3.134 7.243 5.753 1.00 0.00 O ATOM 741 CB GLU A 393 -0.834 9.080 5.981 1.00 0.00 C ATOM 742 CG GLU A 393 0.418 9.894 5.749 1.00 0.00 C ATOM 743 CD GLU A 393 0.447 11.148 6.578 1.00 0.00 C ATOM 744 OE1 GLU A 393 0.721 11.052 7.795 1.00 0.00 O ATOM 745 OE2 GLU A 393 0.202 12.232 6.027 1.00 0.00 O1- ATOM 0 H GLU A 393 -2.008 8.247 3.493 1.00 0.00 H new ATOM 0 HA GLU A 393 0.088 7.274 5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 393 -1.703 9.681 5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 393 -0.918 8.853 7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 393 1.292 9.286 5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 393 0.487 10.158 4.694 1.00 0.00 H new ATOM 752 N CYS A 394 -1.557 5.701 6.166 1.00 0.00 N ATOM 753 CA CYS A 394 -2.491 4.727 6.687 1.00 0.00 C ATOM 754 C CYS A 394 -2.037 4.209 8.037 1.00 0.00 C ATOM 755 O CYS A 394 -0.884 4.407 8.433 1.00 0.00 O ATOM 756 CB CYS A 394 -2.651 3.571 5.701 1.00 0.00 C ATOM 757 SG CYS A 394 -3.138 4.103 4.035 1.00 0.00 S ATOM 0 H CYS A 394 -0.584 5.396 6.171 1.00 0.00 H new ATOM 0 HA CYS A 394 -3.457 5.215 6.819 1.00 0.00 H new ATOM 0 HB2 CYS A 394 -1.710 3.024 5.639 1.00 0.00 H new ATOM 0 HB3 CYS A 394 -3.398 2.877 6.085 1.00 0.00 H new ATOM 0 HG CYS A 394 -2.147 4.727 3.472 1.00 0.00 H new ATOM 1275 N VAL A 431 -56.127 -25.126 -44.154 1.00 0.00 N ATOM 1276 CA VAL A 431 -57.270 -24.917 -43.288 1.00 0.00 C ATOM 1277 C VAL A 431 -57.982 -26.243 -43.002 1.00 0.00 C ATOM 1278 O VAL A 431 -58.362 -26.979 -43.921 1.00 0.00 O ATOM 1279 CB VAL A 431 -58.265 -23.875 -43.881 1.00 0.00 C ATOM 1280 CG1 VAL A 431 -58.704 -24.265 -45.282 1.00 0.00 C ATOM 1281 CG2 VAL A 431 -59.473 -23.694 -42.967 1.00 0.00 C ATOM 0 HA VAL A 431 -56.896 -24.512 -42.348 1.00 0.00 H new ATOM 0 HB VAL A 431 -57.742 -22.921 -43.949 1.00 0.00 H new ATOM 0 HG11 VAL A 431 -59.398 -23.518 -45.667 1.00 0.00 H new ATOM 0 HG12 VAL A 431 -57.832 -24.321 -45.934 1.00 0.00 H new ATOM 0 HG13 VAL A 431 -59.198 -25.236 -45.251 1.00 0.00 H new ATOM 0 HG21 VAL A 431 -60.153 -22.962 -43.403 1.00 0.00 H new ATOM 0 HG22 VAL A 431 -59.990 -24.647 -42.854 1.00 0.00 H new ATOM 0 HG23 VAL A 431 -59.141 -23.344 -41.990 1.00 0.00 H new ATOM 1291 N SER A 432 -58.117 -26.554 -41.734 1.00 0.00 N ATOM 1292 CA SER A 432 -58.759 -27.779 -41.311 1.00 0.00 C ATOM 1293 C SER A 432 -60.127 -27.490 -40.713 1.00 0.00 C ATOM 1294 O SER A 432 -61.042 -28.301 -40.820 1.00 0.00 O ATOM 1295 CB SER A 432 -57.882 -28.495 -40.291 1.00 0.00 C ATOM 1296 OG SER A 432 -56.558 -28.654 -40.787 1.00 0.00 O ATOM 0 H SER A 432 -57.786 -25.968 -40.968 1.00 0.00 H new ATOM 0 HA SER A 432 -58.894 -28.420 -42.182 1.00 0.00 H new ATOM 0 HB2 SER A 432 -57.861 -27.928 -39.361 1.00 0.00 H new ATOM 0 HB3 SER A 432 -58.308 -29.471 -40.060 1.00 0.00 H new ATOM 0 HG SER A 432 -56.011 -29.114 -40.117 1.00 0.00 H new ATOM 1302 N THR A 433 -60.257 -26.328 -40.094 1.00 0.00 N ATOM 1303 CA THR A 433 -61.498 -25.920 -39.472 1.00 0.00 C ATOM 1304 C THR A 433 -62.485 -25.379 -40.501 1.00 0.00 C ATOM 1305 O THR A 433 -62.208 -25.360 -41.710 1.00 0.00 O ATOM 1306 CB THR A 433 -61.234 -24.836 -38.419 1.00 0.00 C ATOM 1307 OG1 THR A 433 -60.215 -23.943 -38.888 1.00 0.00 O ATOM 1308 CG2 THR A 433 -60.814 -25.451 -37.104 1.00 0.00 C ATOM 0 H THR A 433 -59.504 -25.645 -40.011 1.00 0.00 H new ATOM 0 HA THR A 433 -61.931 -26.801 -38.999 1.00 0.00 H new ATOM 0 HB THR A 433 -62.158 -24.281 -38.257 1.00 0.00 H new ATOM 0 HG1 THR A 433 -59.398 -24.073 -38.362 1.00 0.00 H new ATOM 0 HG21 THR A 433 -60.633 -24.662 -36.375 1.00 0.00 H new ATOM 0 HG22 THR A 433 -61.605 -26.107 -36.740 1.00 0.00 H new ATOM 0 HG23 THR A 433 -59.901 -26.029 -37.248 1.00 0.00 H new ATOM 1316 N LYS A 434 -63.632 -24.956 -40.025 1.00 0.00 N ATOM 1317 CA LYS A 434 -64.633 -24.366 -40.874 1.00 0.00 C ATOM 1318 C LYS A 434 -64.784 -22.895 -40.516 1.00 0.00 C ATOM 1319 O LYS A 434 -65.272 -22.567 -39.438 1.00 0.00 O ATOM 1320 CB LYS A 434 -65.975 -25.096 -40.708 1.00 0.00 C ATOM 1321 CG LYS A 434 -67.122 -24.537 -41.556 1.00 0.00 C ATOM 1322 CD LYS A 434 -67.210 -25.187 -42.940 1.00 0.00 C ATOM 1323 CE LYS A 434 -66.069 -24.770 -43.854 1.00 0.00 C ATOM 1324 NZ LYS A 434 -66.240 -25.304 -45.228 1.00 0.00 N1+ ATOM 0 H LYS A 434 -63.895 -25.012 -39.041 1.00 0.00 H new ATOM 0 HA LYS A 434 -64.324 -24.457 -41.915 1.00 0.00 H new ATOM 0 HB2 LYS A 434 -65.834 -26.147 -40.961 1.00 0.00 H new ATOM 0 HB3 LYS A 434 -66.266 -25.057 -39.658 1.00 0.00 H new ATOM 0 HG2 LYS A 434 -68.064 -24.687 -41.029 1.00 0.00 H new ATOM 0 HG3 LYS A 434 -66.990 -23.461 -41.673 1.00 0.00 H new ATOM 0 HD2 LYS A 434 -67.205 -26.271 -42.829 1.00 0.00 H new ATOM 0 HD3 LYS A 434 -68.159 -24.919 -43.404 1.00 0.00 H new ATOM 0 HE2 LYS A 434 -66.012 -23.682 -43.891 1.00 0.00 H new ATOM 0 HE3 LYS A 434 -65.125 -25.124 -43.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 -65.442 -24.998 -45.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 -66.269 -26.343 -45.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 -67.129 -24.945 -45.632 1.00 0.00 H new ATOM 1338 N PRO A 435 -64.324 -21.989 -41.386 1.00 0.00 N ATOM 1339 CA PRO A 435 -64.435 -20.552 -41.143 1.00 0.00 C ATOM 1340 C PRO A 435 -65.888 -20.103 -41.070 1.00 0.00 C ATOM 1341 O PRO A 435 -66.704 -20.456 -41.934 1.00 0.00 O ATOM 1342 CB PRO A 435 -63.739 -19.919 -42.356 1.00 0.00 C ATOM 1343 CG PRO A 435 -63.738 -20.984 -43.399 1.00 0.00 C ATOM 1344 CD PRO A 435 -63.652 -22.285 -42.663 1.00 0.00 C ATOM 0 HA PRO A 435 -63.990 -20.263 -40.191 1.00 0.00 H new ATOM 0 HB2 PRO A 435 -64.272 -19.032 -42.698 1.00 0.00 H new ATOM 0 HB3 PRO A 435 -62.724 -19.606 -42.110 1.00 0.00 H new ATOM 0 HG2 PRO A 435 -64.643 -20.938 -44.004 1.00 0.00 H new ATOM 0 HG3 PRO A 435 -62.894 -20.864 -44.078 1.00 0.00 H new ATOM 0 HD2 PRO A 435 -64.151 -23.089 -43.205 1.00 0.00 H new ATOM 0 HD3 PRO A 435 -62.618 -22.596 -42.512 1.00 0.00 H new ATOM 1352 N CYS A 436 -66.212 -19.351 -40.026 1.00 0.00 N ATOM 1353 CA CYS A 436 -67.554 -18.831 -39.840 1.00 0.00 C ATOM 1354 C CYS A 436 -67.969 -17.999 -41.040 1.00 0.00 C ATOM 1355 O CYS A 436 -67.196 -17.179 -41.533 1.00 0.00 O ATOM 1356 CB CYS A 436 -67.621 -17.985 -38.562 1.00 0.00 C ATOM 1357 SG CYS A 436 -69.258 -17.234 -38.221 1.00 0.00 S ATOM 0 H CYS A 436 -65.555 -19.088 -39.291 1.00 0.00 H new ATOM 0 HA CYS A 436 -68.242 -19.671 -39.743 1.00 0.00 H new ATOM 0 HB2 CYS A 436 -67.340 -18.610 -37.714 1.00 0.00 H new ATOM 0 HB3 CYS A 436 -66.879 -17.189 -38.631 1.00 0.00 H new ATOM 0 HG CYS A 436 -69.528 -17.339 -36.954 1.00 0.00 H new ATOM 1362 N PRO A 437 -69.189 -18.197 -41.530 1.00 0.00 N ATOM 1363 CA PRO A 437 -69.705 -17.444 -42.664 1.00 0.00 C ATOM 1364 C PRO A 437 -69.957 -15.979 -42.304 1.00 0.00 C ATOM 1365 O PRO A 437 -70.265 -15.160 -43.173 1.00 0.00 O ATOM 1366 CB PRO A 437 -71.022 -18.153 -42.994 1.00 0.00 C ATOM 1367 CG PRO A 437 -71.437 -18.779 -41.710 1.00 0.00 C ATOM 1368 CD PRO A 437 -70.167 -19.178 -41.021 1.00 0.00 C ATOM 0 HA PRO A 437 -69.005 -17.421 -43.499 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -71.773 -17.449 -43.354 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -70.886 -18.901 -43.775 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -72.009 -18.079 -41.101 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -72.075 -19.645 -41.885 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -70.263 -19.126 -39.936 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -69.879 -20.200 -41.267 1.00 0.00 H new ATOM 1376 N LYS A 438 -69.829 -15.656 -41.019 1.00 0.00 N ATOM 1377 CA LYS A 438 -70.036 -14.307 -40.549 1.00 0.00 C ATOM 1378 C LYS A 438 -68.711 -13.627 -40.159 1.00 0.00 C ATOM 1379 O LYS A 438 -68.306 -12.642 -40.785 1.00 0.00 O ATOM 1380 CB LYS A 438 -71.002 -14.312 -39.372 1.00 0.00 C ATOM 1381 CG LYS A 438 -71.334 -12.938 -38.840 1.00 0.00 C ATOM 1382 CD LYS A 438 -72.308 -13.031 -37.693 1.00 0.00 C ATOM 1383 CE LYS A 438 -72.602 -11.662 -37.107 1.00 0.00 C ATOM 1384 NZ LYS A 438 -73.576 -11.739 -35.996 1.00 0.00 N1+ ATOM 0 H LYS A 438 -69.581 -16.322 -40.288 1.00 0.00 H new ATOM 0 HA LYS A 438 -70.467 -13.728 -41.366 1.00 0.00 H new ATOM 0 HB2 LYS A 438 -71.925 -14.805 -39.676 1.00 0.00 H new ATOM 0 HB3 LYS A 438 -70.573 -14.908 -38.566 1.00 0.00 H new ATOM 0 HG2 LYS A 438 -70.422 -12.441 -38.510 1.00 0.00 H new ATOM 0 HG3 LYS A 438 -71.760 -12.327 -39.636 1.00 0.00 H new ATOM 0 HD2 LYS A 438 -73.236 -13.489 -38.037 1.00 0.00 H new ATOM 0 HD3 LYS A 438 -71.900 -13.681 -36.919 1.00 0.00 H new ATOM 0 HE2 LYS A 438 -71.676 -11.213 -36.748 1.00 0.00 H new ATOM 0 HE3 LYS A 438 -72.991 -11.008 -37.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 -73.752 -10.785 -35.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 -74.468 -12.144 -36.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 -73.194 -12.343 -35.240 1.00 0.00 H new ATOM 1398 N CYS A 439 -68.031 -14.156 -39.133 1.00 0.00 N ATOM 1399 CA CYS A 439 -66.783 -13.544 -38.656 1.00 0.00 C ATOM 1400 C CYS A 439 -65.540 -14.188 -39.265 1.00 0.00 C ATOM 1401 O CYS A 439 -64.418 -13.754 -38.991 1.00 0.00 O ATOM 1402 CB CYS A 439 -66.707 -13.561 -37.123 1.00 0.00 C ATOM 1403 SG CYS A 439 -67.093 -15.155 -36.352 1.00 0.00 S ATOM 0 H CYS A 439 -68.317 -14.992 -38.624 1.00 0.00 H new ATOM 0 HA CYS A 439 -66.801 -12.507 -38.992 1.00 0.00 H new ATOM 0 HB2 CYS A 439 -65.703 -13.263 -36.821 1.00 0.00 H new ATOM 0 HB3 CYS A 439 -67.394 -12.810 -36.732 1.00 0.00 H new ATOM 0 HG CYS A 439 -67.990 -15.774 -37.061 1.00 0.00 H new ATOM 1408 N ARG A 440 -65.741 -15.226 -40.069 1.00 0.00 N ATOM 1409 CA ARG A 440 -64.640 -15.912 -40.768 1.00 0.00 C ATOM 1410 C ARG A 440 -63.625 -16.511 -39.800 1.00 0.00 C ATOM 1411 O ARG A 440 -62.464 -16.712 -40.153 1.00 0.00 O ATOM 1412 CB ARG A 440 -63.948 -14.959 -41.755 1.00 0.00 C ATOM 1413 CG ARG A 440 -64.832 -14.535 -42.917 1.00 0.00 C ATOM 1414 CD ARG A 440 -65.178 -15.721 -43.802 1.00 0.00 C ATOM 1415 NE ARG A 440 -66.205 -15.399 -44.792 1.00 0.00 N ATOM 1416 CZ ARG A 440 -66.880 -16.318 -45.484 1.00 0.00 C ATOM 1417 NH1 ARG A 440 -66.575 -17.606 -45.350 1.00 0.00 N1+ ATOM 1418 NH2 ARG A 440 -67.847 -15.951 -46.323 1.00 0.00 N ATOM 0 H ARG A 440 -66.662 -15.620 -40.259 1.00 0.00 H new ATOM 0 HA ARG A 440 -65.080 -16.739 -41.325 1.00 0.00 H new ATOM 0 HB2 ARG A 440 -63.619 -14.070 -41.217 1.00 0.00 H new ATOM 0 HB3 ARG A 440 -63.054 -15.443 -42.148 1.00 0.00 H new ATOM 0 HG2 ARG A 440 -65.747 -14.083 -42.535 1.00 0.00 H new ATOM 0 HG3 ARG A 440 -64.322 -13.773 -43.507 1.00 0.00 H new ATOM 0 HD2 ARG A 440 -64.279 -16.063 -44.314 1.00 0.00 H new ATOM 0 HD3 ARG A 440 -65.524 -16.546 -43.180 1.00 0.00 H new ATOM 0 HE ARG A 440 -66.417 -14.416 -44.963 1.00 0.00 H new ATOM 0 HH11 ARG A 440 -65.826 -17.890 -44.719 1.00 0.00 H new ATOM 0 HH12 ARG A 440 -67.090 -18.310 -45.879 1.00 0.00 H new ATOM 0 HH21 ARG A 440 -68.074 -14.963 -46.439 1.00 0.00 H new ATOM 0 HH22 ARG A 440 -68.360 -16.658 -46.850 1.00 0.00 H new ATOM 1432 N THR A 441 -64.065 -16.822 -38.601 1.00 0.00 N ATOM 1433 CA THR A 441 -63.191 -17.398 -37.609 1.00 0.00 C ATOM 1434 C THR A 441 -63.147 -18.922 -37.745 1.00 0.00 C ATOM 1435 O THR A 441 -64.156 -19.549 -38.082 1.00 0.00 O ATOM 1436 CB THR A 441 -63.634 -17.002 -36.190 1.00 0.00 C ATOM 1437 OG1 THR A 441 -65.038 -17.233 -36.037 1.00 0.00 O ATOM 1438 CG2 THR A 441 -63.322 -15.537 -35.928 1.00 0.00 C ATOM 0 H THR A 441 -65.027 -16.684 -38.291 1.00 0.00 H new ATOM 0 HA THR A 441 -62.188 -17.005 -37.778 1.00 0.00 H new ATOM 0 HB THR A 441 -63.088 -17.612 -35.470 1.00 0.00 H new ATOM 0 HG1 THR A 441 -65.537 -16.478 -36.414 1.00 0.00 H new ATOM 0 HG21 THR A 441 -63.641 -15.272 -34.920 1.00 0.00 H new ATOM 0 HG22 THR A 441 -62.249 -15.371 -36.025 1.00 0.00 H new ATOM 0 HG23 THR A 441 -63.852 -14.917 -36.651 1.00 0.00 H new ATOM 1446 N PRO A 442 -61.966 -19.536 -37.519 1.00 0.00 N ATOM 1447 CA PRO A 442 -61.809 -20.990 -37.607 1.00 0.00 C ATOM 1448 C PRO A 442 -62.649 -21.707 -36.553 1.00 0.00 C ATOM 1449 O PRO A 442 -62.313 -21.705 -35.364 1.00 0.00 O ATOM 1450 CB PRO A 442 -60.309 -21.222 -37.349 1.00 0.00 C ATOM 1451 CG PRO A 442 -59.666 -19.888 -37.525 1.00 0.00 C ATOM 1452 CD PRO A 442 -60.706 -18.867 -37.168 1.00 0.00 C ATOM 0 HA PRO A 442 -62.141 -21.380 -38.569 1.00 0.00 H new ATOM 0 HB2 PRO A 442 -60.139 -21.611 -36.345 1.00 0.00 H new ATOM 0 HB3 PRO A 442 -59.898 -21.951 -38.047 1.00 0.00 H new ATOM 0 HG2 PRO A 442 -58.790 -19.791 -36.883 1.00 0.00 H new ATOM 0 HG3 PRO A 442 -59.326 -19.753 -38.552 1.00 0.00 H new ATOM 0 HD2 PRO A 442 -60.669 -18.607 -36.110 1.00 0.00 H new ATOM 0 HD3 PRO A 442 -60.571 -17.942 -37.728 1.00 0.00 H new ATOM 1460 N THR A 443 -63.743 -22.293 -36.989 1.00 0.00 N ATOM 1461 CA THR A 443 -64.649 -22.979 -36.099 1.00 0.00 C ATOM 1462 C THR A 443 -64.364 -24.474 -36.079 1.00 0.00 C ATOM 1463 O THR A 443 -64.176 -25.098 -37.134 1.00 0.00 O ATOM 1464 CB THR A 443 -66.106 -22.742 -36.536 1.00 0.00 C ATOM 1465 OG1 THR A 443 -66.347 -21.331 -36.639 1.00 0.00 O ATOM 1466 CG2 THR A 443 -67.094 -23.354 -35.546 1.00 0.00 C ATOM 0 H THR A 443 -64.027 -22.306 -37.968 1.00 0.00 H new ATOM 0 HA THR A 443 -64.500 -22.580 -35.096 1.00 0.00 H new ATOM 0 HB THR A 443 -66.254 -23.223 -37.503 1.00 0.00 H new ATOM 0 HG1 THR A 443 -67.273 -21.177 -36.919 1.00 0.00 H new ATOM 0 HG21 THR A 443 -68.113 -23.167 -35.886 1.00 0.00 H new ATOM 0 HG22 THR A 443 -66.924 -24.429 -35.480 1.00 0.00 H new ATOM 0 HG23 THR A 443 -66.951 -22.903 -34.564 1.00 0.00 H new ATOM 1474 N GLU A 444 -64.313 -25.037 -34.882 1.00 0.00 N ATOM 1475 CA GLU A 444 -64.096 -26.461 -34.715 1.00 0.00 C ATOM 1476 C GLU A 444 -65.385 -27.231 -34.935 1.00 0.00 C ATOM 1477 O GLU A 444 -66.480 -26.660 -34.909 1.00 0.00 O ATOM 1478 CB GLU A 444 -63.525 -26.762 -33.334 1.00 0.00 C ATOM 1479 CG GLU A 444 -62.015 -26.661 -33.266 1.00 0.00 C ATOM 1480 CD GLU A 444 -61.330 -27.744 -34.072 1.00 0.00 C ATOM 1481 OE1 GLU A 444 -61.917 -28.840 -34.229 1.00 0.00 O ATOM 1482 OE2 GLU A 444 -60.192 -27.514 -34.541 1.00 0.00 O1- ATOM 0 H GLU A 444 -64.420 -24.523 -34.007 1.00 0.00 H new ATOM 0 HA GLU A 444 -63.372 -26.782 -35.464 1.00 0.00 H new ATOM 0 HB2 GLU A 444 -63.960 -26.071 -32.612 1.00 0.00 H new ATOM 0 HB3 GLU A 444 -63.827 -27.766 -33.036 1.00 0.00 H new ATOM 0 HG2 GLU A 444 -61.701 -25.684 -33.634 1.00 0.00 H new ATOM 0 HG3 GLU A 444 -61.695 -26.728 -32.226 1.00 0.00 H new ATOM 1489 N ARG A 445 -65.261 -28.519 -35.133 1.00 0.00 N ATOM 1490 CA ARG A 445 -66.408 -29.351 -35.425 1.00 0.00 C ATOM 1491 C ARG A 445 -66.583 -30.443 -34.392 1.00 0.00 C ATOM 1492 O ARG A 445 -65.659 -30.759 -33.633 1.00 0.00 O ATOM 1493 CB ARG A 445 -66.260 -29.967 -36.812 1.00 0.00 C ATOM 1494 CG ARG A 445 -64.976 -30.756 -36.972 1.00 0.00 C ATOM 1495 CD ARG A 445 -64.741 -31.173 -38.403 1.00 0.00 C ATOM 1496 NE ARG A 445 -63.376 -31.651 -38.596 1.00 0.00 N ATOM 1497 CZ ARG A 445 -62.521 -31.138 -39.481 1.00 0.00 C ATOM 1498 NH1 ARG A 445 -62.909 -30.167 -40.302 1.00 0.00 N1+ ATOM 1499 NH2 ARG A 445 -61.277 -31.597 -39.545 1.00 0.00 N ATOM 0 H ARG A 445 -64.373 -29.020 -35.098 1.00 0.00 H new ATOM 0 HA ARG A 445 -67.296 -28.720 -35.396 1.00 0.00 H new ATOM 0 HB2 ARG A 445 -67.110 -30.622 -37.006 1.00 0.00 H new ATOM 0 HB3 ARG A 445 -66.290 -29.176 -37.561 1.00 0.00 H new ATOM 0 HG2 ARG A 445 -64.135 -30.154 -36.628 1.00 0.00 H new ATOM 0 HG3 ARG A 445 -65.014 -31.642 -36.338 1.00 0.00 H new ATOM 0 HD2 ARG A 445 -65.446 -31.958 -38.676 1.00 0.00 H new ATOM 0 HD3 ARG A 445 -64.931 -30.329 -39.066 1.00 0.00 H new ATOM 0 HE ARG A 445 -63.055 -32.427 -38.017 1.00 0.00 H new ATOM 0 HH11 ARG A 445 -63.864 -29.812 -40.256 1.00 0.00 H new ATOM 0 HH12 ARG A 445 -62.252 -29.777 -40.978 1.00 0.00 H new ATOM 0 HH21 ARG A 445 -60.975 -32.342 -38.917 1.00 0.00 H new ATOM 0 HH22 ARG A 445 -60.623 -31.205 -40.222 1.00 0.00 H new ATOM 1513 N ASP A 446 -67.767 -31.005 -34.367 1.00 0.00 N ATOM 1514 CA ASP A 446 -68.086 -32.094 -33.472 1.00 0.00 C ATOM 1515 C ASP A 446 -68.009 -33.413 -34.211 1.00 0.00 C ATOM 1516 O ASP A 446 -68.015 -33.438 -35.445 1.00 0.00 O ATOM 1517 CB ASP A 446 -69.473 -31.908 -32.859 1.00 0.00 C ATOM 1518 CG ASP A 446 -69.486 -30.856 -31.773 1.00 0.00 C ATOM 1519 OD1 ASP A 446 -69.124 -31.184 -30.625 1.00 0.00 O ATOM 1520 OD2 ASP A 446 -69.850 -29.694 -32.058 1.00 0.00 O1- ATOM 0 H ASP A 446 -68.540 -30.720 -34.968 1.00 0.00 H new ATOM 0 HA ASP A 446 -67.356 -32.099 -32.662 1.00 0.00 H new ATOM 0 HB2 ASP A 446 -70.178 -31.628 -33.641 1.00 0.00 H new ATOM 0 HB3 ASP A 446 -69.815 -32.857 -32.446 1.00 0.00 H new ATOM 1525 N GLY A 447 -67.923 -34.500 -33.464 1.00 0.00 N ATOM 1526 CA GLY A 447 -67.820 -35.814 -34.068 1.00 0.00 C ATOM 1527 C GLY A 447 -69.043 -36.183 -34.890 1.00 0.00 C ATOM 1528 O GLY A 447 -68.919 -36.589 -36.047 1.00 0.00 O ATOM 0 H GLY A 447 -67.923 -34.498 -32.444 1.00 0.00 H new ATOM 0 HA2 GLY A 447 -66.936 -35.847 -34.705 1.00 0.00 H new ATOM 0 HA3 GLY A 447 -67.676 -36.558 -33.285 1.00 0.00 H new ATOM 1532 N GLY A 448 -70.216 -36.041 -34.299 1.00 0.00 N ATOM 1533 CA GLY A 448 -71.438 -36.376 -34.995 1.00 0.00 C ATOM 1534 C GLY A 448 -72.616 -35.558 -34.515 1.00 0.00 C ATOM 1535 O GLY A 448 -73.655 -36.106 -34.144 1.00 0.00 O ATOM 0 H GLY A 448 -70.345 -35.699 -33.347 1.00 0.00 H new ATOM 0 HA2 GLY A 448 -71.300 -36.216 -36.064 1.00 0.00 H new ATOM 0 HA3 GLY A 448 -71.654 -37.435 -34.856 1.00 0.00 H new ATOM 1539 N CYS A 449 -72.458 -34.252 -34.513 1.00 0.00 N ATOM 1540 CA CYS A 449 -73.519 -33.360 -34.089 1.00 0.00 C ATOM 1541 C CYS A 449 -73.920 -32.440 -35.234 1.00 0.00 C ATOM 1542 O CYS A 449 -73.065 -31.925 -35.952 1.00 0.00 O ATOM 1543 CB CYS A 449 -73.075 -32.541 -32.876 1.00 0.00 C ATOM 1544 SG CYS A 449 -72.534 -33.543 -31.466 1.00 0.00 S ATOM 0 H CYS A 449 -71.601 -33.781 -34.802 1.00 0.00 H new ATOM 0 HA CYS A 449 -74.384 -33.958 -33.802 1.00 0.00 H new ATOM 0 HB2 CYS A 449 -72.259 -31.882 -33.174 1.00 0.00 H new ATOM 0 HB3 CYS A 449 -73.900 -31.903 -32.560 1.00 0.00 H new ATOM 0 HG CYS A 449 -72.176 -32.762 -30.490 1.00 0.00 H new ATOM 1550 N MET A 450 -75.217 -32.243 -35.404 1.00 0.00 N ATOM 1551 CA MET A 450 -75.733 -31.415 -36.487 1.00 0.00 C ATOM 1552 C MET A 450 -75.878 -29.962 -36.068 1.00 0.00 C ATOM 1553 O MET A 450 -75.992 -29.071 -36.913 1.00 0.00 O ATOM 1554 CB MET A 450 -77.076 -31.950 -36.999 1.00 0.00 C ATOM 1555 CG MET A 450 -76.961 -33.149 -37.929 1.00 0.00 C ATOM 1556 SD MET A 450 -76.281 -34.613 -37.125 1.00 0.00 S ATOM 1557 CE MET A 450 -76.108 -35.704 -38.534 1.00 0.00 C ATOM 0 H MET A 450 -75.937 -32.646 -34.804 1.00 0.00 H new ATOM 0 HA MET A 450 -75.004 -31.462 -37.296 1.00 0.00 H new ATOM 0 HB2 MET A 450 -77.693 -32.226 -36.144 1.00 0.00 H new ATOM 0 HB3 MET A 450 -77.597 -31.148 -37.522 1.00 0.00 H new ATOM 0 HG2 MET A 450 -77.947 -33.387 -38.327 1.00 0.00 H new ATOM 0 HG3 MET A 450 -76.330 -32.883 -38.777 1.00 0.00 H new ATOM 0 HE1 MET A 450 -76.223 -36.738 -38.210 1.00 0.00 H new ATOM 0 HE2 MET A 450 -76.874 -35.468 -39.273 1.00 0.00 H new ATOM 0 HE3 MET A 450 -75.122 -35.571 -38.978 1.00 0.00 H new ATOM 1567 N HIS A 451 -75.879 -29.717 -34.772 1.00 0.00 N ATOM 1568 CA HIS A 451 -76.002 -28.363 -34.274 1.00 0.00 C ATOM 1569 C HIS A 451 -74.618 -27.718 -34.185 1.00 0.00 C ATOM 1570 O HIS A 451 -73.886 -27.923 -33.220 1.00 0.00 O ATOM 1571 CB HIS A 451 -76.700 -28.347 -32.906 1.00 0.00 C ATOM 1572 CG HIS A 451 -77.345 -27.033 -32.576 1.00 0.00 C ATOM 1573 ND1 HIS A 451 -78.606 -26.969 -32.029 1.00 0.00 N ATOM 1574 CD2 HIS A 451 -76.875 -25.779 -32.751 1.00 0.00 C ATOM 1575 CE1 HIS A 451 -78.867 -25.677 -31.888 1.00 0.00 C ATOM 1576 NE2 HIS A 451 -77.849 -24.920 -32.314 1.00 0.00 N ATOM 0 H HIS A 451 -75.797 -30.433 -34.050 1.00 0.00 H new ATOM 0 HA HIS A 451 -76.615 -27.787 -34.967 1.00 0.00 H new ATOM 0 HB2 HIS A 451 -77.458 -29.130 -32.885 1.00 0.00 H new ATOM 0 HB3 HIS A 451 -75.971 -28.589 -32.133 1.00 0.00 H new ATOM 0 HD2 HIS A 451 -75.913 -25.505 -33.158 1.00 0.00 H new ATOM 0 HE1 HIS A 451 -79.787 -25.284 -31.480 1.00 0.00 H new ATOM 0 HE2 HIS A 451 -77.806 -23.901 -32.313 1.00 0.00 H new ATOM 1584 N MET A 452 -74.263 -26.956 -35.204 1.00 0.00 N ATOM 1585 CA MET A 452 -72.951 -26.321 -35.264 1.00 0.00 C ATOM 1586 C MET A 452 -73.054 -24.824 -34.999 1.00 0.00 C ATOM 1587 O MET A 452 -73.624 -24.077 -35.795 1.00 0.00 O ATOM 1588 CB MET A 452 -72.307 -26.579 -36.630 1.00 0.00 C ATOM 1589 CG MET A 452 -72.036 -28.053 -36.911 1.00 0.00 C ATOM 1590 SD MET A 452 -70.536 -28.665 -36.112 1.00 0.00 S ATOM 1591 CE MET A 452 -69.292 -27.983 -37.203 1.00 0.00 C ATOM 0 H MET A 452 -74.864 -26.759 -36.005 1.00 0.00 H new ATOM 0 HA MET A 452 -72.323 -26.756 -34.487 1.00 0.00 H new ATOM 0 HB2 MET A 452 -72.958 -26.183 -37.409 1.00 0.00 H new ATOM 0 HB3 MET A 452 -71.368 -26.028 -36.689 1.00 0.00 H new ATOM 0 HG2 MET A 452 -72.887 -28.643 -36.572 1.00 0.00 H new ATOM 0 HG3 MET A 452 -71.953 -28.202 -37.988 1.00 0.00 H new ATOM 0 HE1 MET A 452 -68.546 -28.746 -37.425 1.00 0.00 H new ATOM 0 HE2 MET A 452 -69.762 -27.654 -38.130 1.00 0.00 H new ATOM 0 HE3 MET A 452 -68.810 -27.134 -36.719 1.00 0.00 H new ATOM 1601 N VAL A 453 -72.506 -24.392 -33.874 1.00 0.00 N ATOM 1602 CA VAL A 453 -72.533 -22.983 -33.502 1.00 0.00 C ATOM 1603 C VAL A 453 -71.121 -22.429 -33.465 1.00 0.00 C ATOM 1604 O VAL A 453 -70.186 -23.117 -33.034 1.00 0.00 O ATOM 1605 CB VAL A 453 -73.190 -22.763 -32.112 1.00 0.00 C ATOM 1606 CG1 VAL A 453 -73.396 -21.278 -31.831 1.00 0.00 C ATOM 1607 CG2 VAL A 453 -74.503 -23.508 -32.015 1.00 0.00 C ATOM 0 H VAL A 453 -72.036 -24.997 -33.200 1.00 0.00 H new ATOM 0 HA VAL A 453 -73.128 -22.463 -34.253 1.00 0.00 H new ATOM 0 HB VAL A 453 -72.512 -23.160 -31.356 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -73.857 -21.154 -30.851 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -72.433 -20.768 -31.846 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -74.045 -20.850 -32.595 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -74.945 -23.340 -31.033 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -75.184 -23.148 -32.786 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -74.327 -24.575 -32.156 1.00 0.00 H new ATOM 1617 N CYS A 454 -70.964 -21.202 -33.920 1.00 0.00 N ATOM 1618 CA CYS A 454 -69.675 -20.548 -33.905 1.00 0.00 C ATOM 1619 C CYS A 454 -69.416 -19.941 -32.541 1.00 0.00 C ATOM 1620 O CYS A 454 -70.236 -19.166 -32.029 1.00 0.00 O ATOM 1621 CB CYS A 454 -69.610 -19.463 -34.984 1.00 0.00 C ATOM 1622 SG CYS A 454 -68.114 -18.421 -34.930 1.00 0.00 S ATOM 0 H CYS A 454 -71.720 -20.636 -34.307 1.00 0.00 H new ATOM 0 HA CYS A 454 -68.906 -21.292 -34.115 1.00 0.00 H new ATOM 0 HB2 CYS A 454 -69.669 -19.939 -35.963 1.00 0.00 H new ATOM 0 HB3 CYS A 454 -70.486 -18.822 -34.888 1.00 0.00 H new ATOM 0 HG CYS A 454 -68.459 -17.168 -34.885 1.00 0.00 H new ATOM 1627 N THR A 455 -68.303 -20.288 -31.947 1.00 0.00 N ATOM 1628 CA THR A 455 -67.963 -19.745 -30.668 1.00 0.00 C ATOM 1629 C THR A 455 -66.932 -18.638 -30.821 1.00 0.00 C ATOM 1630 O THR A 455 -65.716 -18.873 -30.819 1.00 0.00 O ATOM 1631 CB THR A 455 -67.441 -20.839 -29.725 1.00 0.00 C ATOM 1632 OG1 THR A 455 -66.449 -21.625 -30.402 1.00 0.00 O ATOM 1633 CG2 THR A 455 -68.579 -21.740 -29.268 1.00 0.00 C ATOM 0 H THR A 455 -67.622 -20.943 -32.332 1.00 0.00 H new ATOM 0 HA THR A 455 -68.866 -19.324 -30.227 1.00 0.00 H new ATOM 0 HB THR A 455 -66.999 -20.363 -28.850 1.00 0.00 H new ATOM 0 HG1 THR A 455 -65.776 -21.032 -30.797 1.00 0.00 H new ATOM 0 HG21 THR A 455 -68.189 -22.509 -28.601 1.00 0.00 H new ATOM 0 HG22 THR A 455 -69.324 -21.145 -28.740 1.00 0.00 H new ATOM 0 HG23 THR A 455 -69.040 -22.212 -30.135 1.00 0.00 H new ATOM 1641 N ARG A 456 -67.428 -17.439 -30.984 1.00 0.00 N ATOM 1642 CA ARG A 456 -66.604 -16.266 -31.126 1.00 0.00 C ATOM 1643 C ARG A 456 -67.143 -15.204 -30.191 1.00 0.00 C ATOM 1644 O ARG A 456 -68.354 -15.018 -30.115 1.00 0.00 O ATOM 1645 CB ARG A 456 -66.648 -15.789 -32.591 1.00 0.00 C ATOM 1646 CG ARG A 456 -65.463 -14.935 -33.053 1.00 0.00 C ATOM 1647 CD ARG A 456 -65.478 -13.529 -32.471 1.00 0.00 C ATOM 1648 NE ARG A 456 -64.364 -12.722 -32.987 1.00 0.00 N ATOM 1649 CZ ARG A 456 -63.886 -11.610 -32.410 1.00 0.00 C ATOM 1650 NH1 ARG A 456 -64.440 -11.129 -31.302 1.00 0.00 N1+ ATOM 1651 NH2 ARG A 456 -62.859 -10.976 -32.960 1.00 0.00 N ATOM 0 H ARG A 456 -68.429 -17.247 -31.022 1.00 0.00 H new ATOM 0 HA ARG A 456 -65.566 -16.479 -30.872 1.00 0.00 H new ATOM 0 HB2 ARG A 456 -66.713 -16.665 -33.236 1.00 0.00 H new ATOM 0 HB3 ARG A 456 -67.563 -15.216 -32.739 1.00 0.00 H new ATOM 0 HG2 ARG A 456 -64.534 -15.429 -32.769 1.00 0.00 H new ATOM 0 HG3 ARG A 456 -65.471 -14.872 -34.141 1.00 0.00 H new ATOM 0 HD2 ARG A 456 -66.423 -13.044 -32.713 1.00 0.00 H new ATOM 0 HD3 ARG A 456 -65.417 -13.583 -31.384 1.00 0.00 H new ATOM 0 HE ARG A 456 -63.920 -13.032 -33.851 1.00 0.00 H new ATOM 0 HH11 ARG A 456 -65.237 -11.607 -30.882 1.00 0.00 H new ATOM 0 HH12 ARG A 456 -64.068 -10.282 -30.872 1.00 0.00 H new ATOM 0 HH21 ARG A 456 -62.438 -11.335 -33.817 1.00 0.00 H new ATOM 0 HH22 ARG A 456 -62.491 -10.130 -32.526 1.00 0.00 H new ATOM 1665 N ALA A 457 -66.270 -14.529 -29.472 1.00 0.00 N ATOM 1666 CA ALA A 457 -66.694 -13.486 -28.547 1.00 0.00 C ATOM 1667 C ALA A 457 -67.388 -12.346 -29.290 1.00 0.00 C ATOM 1668 O ALA A 457 -66.731 -11.480 -29.866 1.00 0.00 O ATOM 1669 CB ALA A 457 -65.504 -12.963 -27.758 1.00 0.00 C ATOM 0 H ALA A 457 -65.262 -14.680 -29.507 1.00 0.00 H new ATOM 0 HA ALA A 457 -67.411 -13.920 -27.850 1.00 0.00 H new ATOM 0 HB1 ALA A 457 -65.836 -12.185 -27.071 1.00 0.00 H new ATOM 0 HB2 ALA A 457 -65.056 -13.779 -27.192 1.00 0.00 H new ATOM 0 HB3 ALA A 457 -64.765 -12.550 -28.445 1.00 0.00 H new ATOM 1675 N GLY A 458 -68.710 -12.373 -29.303 1.00 0.00 N ATOM 1676 CA GLY A 458 -69.468 -11.340 -29.982 1.00 0.00 C ATOM 1677 C GLY A 458 -70.058 -11.819 -31.299 1.00 0.00 C ATOM 1678 O GLY A 458 -70.357 -11.014 -32.184 1.00 0.00 O ATOM 0 H GLY A 458 -69.276 -13.094 -28.854 1.00 0.00 H new ATOM 0 HA2 GLY A 458 -70.272 -10.997 -29.331 1.00 0.00 H new ATOM 0 HA3 GLY A 458 -68.821 -10.483 -30.168 1.00 0.00 H new ATOM 1682 N CYS A 459 -70.216 -13.131 -31.438 1.00 0.00 N ATOM 1683 CA CYS A 459 -70.790 -13.706 -32.646 1.00 0.00 C ATOM 1684 C CYS A 459 -72.125 -14.367 -32.337 1.00 0.00 C ATOM 1685 O CYS A 459 -73.188 -13.773 -32.546 1.00 0.00 O ATOM 1686 CB CYS A 459 -69.817 -14.716 -33.277 1.00 0.00 C ATOM 1687 SG CYS A 459 -70.392 -15.480 -34.834 1.00 0.00 S ATOM 0 H CYS A 459 -69.954 -13.815 -30.728 1.00 0.00 H new ATOM 0 HA CYS A 459 -70.962 -12.904 -33.363 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -68.868 -14.213 -33.466 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -69.620 -15.507 -32.554 1.00 0.00 H new ATOM 0 HG CYS A 459 -69.407 -15.534 -35.681 1.00 0.00 H new ATOM 1692 N GLY A 460 -72.067 -15.584 -31.819 1.00 0.00 N ATOM 1693 CA GLY A 460 -73.276 -16.309 -31.489 1.00 0.00 C ATOM 1694 C GLY A 460 -74.043 -16.737 -32.723 1.00 0.00 C ATOM 1695 O GLY A 460 -75.258 -16.935 -32.673 1.00 0.00 O ATOM 0 H GLY A 460 -71.201 -16.084 -31.621 1.00 0.00 H new ATOM 0 HA2 GLY A 460 -73.020 -17.189 -30.899 1.00 0.00 H new ATOM 0 HA3 GLY A 460 -73.914 -15.683 -30.866 1.00 0.00 H new ATOM 1699 N PHE A 461 -73.342 -16.859 -33.836 1.00 0.00 N ATOM 1700 CA PHE A 461 -73.964 -17.277 -35.073 1.00 0.00 C ATOM 1701 C PHE A 461 -73.824 -18.781 -35.235 1.00 0.00 C ATOM 1702 O PHE A 461 -72.785 -19.349 -34.926 1.00 0.00 O ATOM 1703 CB PHE A 461 -73.333 -16.549 -36.268 1.00 0.00 C ATOM 1704 CG PHE A 461 -74.042 -16.790 -37.571 1.00 0.00 C ATOM 1705 CD1 PHE A 461 -75.200 -16.096 -37.881 1.00 0.00 C ATOM 1706 CD2 PHE A 461 -73.552 -17.710 -38.484 1.00 0.00 C ATOM 1707 CE1 PHE A 461 -75.854 -16.314 -39.077 1.00 0.00 C ATOM 1708 CE2 PHE A 461 -74.203 -17.932 -39.680 1.00 0.00 C ATOM 1709 CZ PHE A 461 -75.354 -17.233 -39.977 1.00 0.00 C ATOM 0 H PHE A 461 -72.341 -16.674 -33.906 1.00 0.00 H new ATOM 0 HA PHE A 461 -75.023 -17.020 -35.039 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -73.322 -15.478 -36.064 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -72.295 -16.865 -36.367 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -75.596 -15.377 -37.179 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -72.650 -18.259 -38.257 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -76.756 -15.766 -39.308 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -73.812 -18.652 -40.383 1.00 0.00 H new ATOM 0 HZ PHE A 461 -75.864 -17.405 -40.913 1.00 0.00 H new ATOM 1719 N GLU A 462 -74.865 -19.417 -35.701 1.00 0.00 N ATOM 1720 CA GLU A 462 -74.851 -20.847 -35.892 1.00 0.00 C ATOM 1721 C GLU A 462 -75.255 -21.192 -37.312 1.00 0.00 C ATOM 1722 O GLU A 462 -75.904 -20.390 -37.994 1.00 0.00 O ATOM 1723 CB GLU A 462 -75.766 -21.522 -34.870 1.00 0.00 C ATOM 1724 CG GLU A 462 -77.166 -20.964 -34.853 1.00 0.00 C ATOM 1725 CD GLU A 462 -77.894 -21.239 -33.560 1.00 0.00 C ATOM 1726 OE1 GLU A 462 -78.142 -22.419 -33.240 1.00 0.00 O1- ATOM 1727 OE2 GLU A 462 -78.215 -20.270 -32.843 1.00 0.00 O ATOM 0 H GLU A 462 -75.742 -18.965 -35.958 1.00 0.00 H new ATOM 0 HA GLU A 462 -73.839 -21.220 -35.735 1.00 0.00 H new ATOM 0 HB2 GLU A 462 -75.812 -22.590 -35.085 1.00 0.00 H new ATOM 0 HB3 GLU A 462 -75.329 -21.415 -33.877 1.00 0.00 H new ATOM 0 HG2 GLU A 462 -77.124 -19.887 -35.018 1.00 0.00 H new ATOM 0 HG3 GLU A 462 -77.732 -21.392 -35.680 1.00 0.00 H new ATOM 1734 N TRP A 463 -74.864 -22.362 -37.760 1.00 0.00 N ATOM 1735 CA TRP A 463 -75.145 -22.793 -39.114 1.00 0.00 C ATOM 1736 C TRP A 463 -75.347 -24.300 -39.179 1.00 0.00 C ATOM 1737 O TRP A 463 -74.983 -25.026 -38.250 1.00 0.00 O ATOM 1738 CB TRP A 463 -74.029 -22.340 -40.074 1.00 0.00 C ATOM 1739 CG TRP A 463 -72.646 -22.390 -39.482 1.00 0.00 C ATOM 1740 CD1 TRP A 463 -72.012 -21.386 -38.803 1.00 0.00 C ATOM 1741 CD2 TRP A 463 -71.727 -23.486 -39.521 1.00 0.00 C ATOM 1742 NE1 TRP A 463 -70.764 -21.792 -38.416 1.00 0.00 N ATOM 1743 CE2 TRP A 463 -70.562 -23.076 -38.842 1.00 0.00 C ATOM 1744 CE3 TRP A 463 -71.775 -24.772 -40.059 1.00 0.00 C ATOM 1745 CZ2 TRP A 463 -69.459 -23.908 -38.689 1.00 0.00 C ATOM 1746 CZ3 TRP A 463 -70.678 -25.596 -39.907 1.00 0.00 C ATOM 1747 CH2 TRP A 463 -69.535 -25.162 -39.226 1.00 0.00 C ATOM 0 H TRP A 463 -74.345 -23.040 -37.202 1.00 0.00 H new ATOM 0 HA TRP A 463 -76.075 -22.321 -39.432 1.00 0.00 H new ATOM 0 HB2 TRP A 463 -74.054 -22.969 -40.964 1.00 0.00 H new ATOM 0 HB3 TRP A 463 -74.236 -21.320 -40.398 1.00 0.00 H new ATOM 0 HD1 TRP A 463 -72.435 -20.413 -38.601 1.00 0.00 H new ATOM 0 HE1 TRP A 463 -70.093 -21.228 -37.894 1.00 0.00 H new ATOM 0 HE3 TRP A 463 -72.654 -25.116 -40.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 -68.575 -23.576 -38.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 -70.702 -26.593 -40.321 1.00 0.00 H new ATOM 0 HH2 TRP A 463 -68.695 -25.833 -39.123 1.00 0.00 H new ATOM 1758 N CYS A 464 -75.935 -24.758 -40.273 1.00 0.00 N ATOM 1759 CA CYS A 464 -76.236 -26.167 -40.453 1.00 0.00 C ATOM 1760 C CYS A 464 -74.978 -26.986 -40.663 1.00 0.00 C ATOM 1761 O CYS A 464 -74.021 -26.539 -41.300 1.00 0.00 O ATOM 1762 CB CYS A 464 -77.183 -26.356 -41.631 1.00 0.00 C ATOM 1763 SG CYS A 464 -77.721 -28.084 -41.916 1.00 0.00 S ATOM 0 H CYS A 464 -76.215 -24.167 -41.056 1.00 0.00 H new ATOM 0 HA CYS A 464 -76.717 -26.521 -39.541 1.00 0.00 H new ATOM 0 HB2 CYS A 464 -78.066 -25.737 -41.472 1.00 0.00 H new ATOM 0 HB3 CYS A 464 -76.695 -25.989 -42.534 1.00 0.00 H new ATOM 0 HG CYS A 464 -78.598 -28.113 -42.875 1.00 0.00 H new ATOM 1768 N TRP A 465 -74.989 -28.174 -40.115 1.00 0.00 N ATOM 1769 CA TRP A 465 -73.889 -29.102 -40.243 1.00 0.00 C ATOM 1770 C TRP A 465 -73.858 -29.750 -41.625 1.00 0.00 C ATOM 1771 O TRP A 465 -72.794 -29.896 -42.233 1.00 0.00 O ATOM 1772 CB TRP A 465 -74.002 -30.183 -39.162 1.00 0.00 C ATOM 1773 CG TRP A 465 -73.233 -31.429 -39.471 1.00 0.00 C ATOM 1774 CD1 TRP A 465 -73.749 -32.622 -39.886 1.00 0.00 C ATOM 1775 CD2 TRP A 465 -71.819 -31.606 -39.405 1.00 0.00 C ATOM 1776 NE1 TRP A 465 -72.744 -33.523 -40.083 1.00 0.00 N ATOM 1777 CE2 TRP A 465 -71.550 -32.926 -39.795 1.00 0.00 C ATOM 1778 CE3 TRP A 465 -70.755 -30.776 -39.057 1.00 0.00 C ATOM 1779 CZ2 TRP A 465 -70.269 -33.436 -39.848 1.00 0.00 C ATOM 1780 CZ3 TRP A 465 -69.476 -31.282 -39.107 1.00 0.00 C ATOM 1781 CH2 TRP A 465 -69.240 -32.600 -39.501 1.00 0.00 C ATOM 0 H TRP A 465 -75.768 -28.530 -39.562 1.00 0.00 H new ATOM 0 HA TRP A 465 -72.960 -28.546 -40.116 1.00 0.00 H new ATOM 0 HB2 TRP A 465 -73.649 -29.775 -38.215 1.00 0.00 H new ATOM 0 HB3 TRP A 465 -75.053 -30.440 -39.027 1.00 0.00 H new ATOM 0 HD1 TRP A 465 -74.799 -32.823 -40.036 1.00 0.00 H new ATOM 0 HE1 TRP A 465 -72.865 -34.487 -40.395 1.00 0.00 H new ATOM 0 HE3 TRP A 465 -70.931 -29.754 -38.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 465 -70.084 -34.456 -40.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 465 -68.643 -30.650 -38.837 1.00 0.00 H new ATOM 0 HH2 TRP A 465 -68.225 -32.969 -39.533 1.00 0.00 H new ATOM 1792 N VAL A 466 -75.021 -30.125 -42.120 1.00 0.00 N ATOM 1793 CA VAL A 466 -75.102 -30.870 -43.361 1.00 0.00 C ATOM 1794 C VAL A 466 -74.918 -29.976 -44.586 1.00 0.00 C ATOM 1795 O VAL A 466 -74.130 -30.300 -45.483 1.00 0.00 O ATOM 1796 CB VAL A 466 -76.423 -31.671 -43.460 1.00 0.00 C ATOM 1797 CG1 VAL A 466 -76.425 -32.545 -44.701 1.00 0.00 C ATOM 1798 CG2 VAL A 466 -76.604 -32.526 -42.211 1.00 0.00 C ATOM 0 H VAL A 466 -75.921 -29.927 -41.683 1.00 0.00 H new ATOM 0 HA VAL A 466 -74.275 -31.580 -43.349 1.00 0.00 H new ATOM 0 HB VAL A 466 -77.254 -30.969 -43.534 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -77.361 -33.100 -44.753 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -76.325 -31.919 -45.587 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -75.590 -33.245 -44.655 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -77.535 -33.087 -42.286 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -75.768 -33.220 -42.121 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -76.638 -31.883 -41.332 1.00 0.00 H new ATOM 1808 N CYS A 467 -75.621 -28.860 -44.628 1.00 0.00 N ATOM 1809 CA CYS A 467 -75.495 -27.947 -45.751 1.00 0.00 C ATOM 1810 C CYS A 467 -74.995 -26.595 -45.283 1.00 0.00 C ATOM 1811 O CYS A 467 -75.339 -26.144 -44.195 1.00 0.00 O ATOM 1812 CB CYS A 467 -76.829 -27.801 -46.494 1.00 0.00 C ATOM 1813 SG CYS A 467 -78.201 -27.159 -45.487 1.00 0.00 S ATOM 0 H CYS A 467 -76.279 -28.565 -43.907 1.00 0.00 H new ATOM 0 HA CYS A 467 -74.766 -28.364 -46.446 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -76.682 -27.138 -47.347 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -77.115 -28.775 -46.892 1.00 0.00 H new ATOM 0 HG CYS A 467 -78.747 -28.135 -44.825 1.00 0.00 H new ATOM 1818 N GLN A 468 -74.175 -25.954 -46.085 1.00 0.00 N ATOM 1819 CA GLN A 468 -73.674 -24.651 -45.719 1.00 0.00 C ATOM 1820 C GLN A 468 -74.748 -23.618 -45.953 1.00 0.00 C ATOM 1821 O GLN A 468 -75.112 -23.325 -47.094 1.00 0.00 O ATOM 1822 CB GLN A 468 -72.415 -24.301 -46.512 1.00 0.00 C ATOM 1823 CG GLN A 468 -71.197 -25.122 -46.128 1.00 0.00 C ATOM 1824 CD GLN A 468 -69.970 -24.750 -46.933 1.00 0.00 C ATOM 1825 OE1 GLN A 468 -69.698 -25.333 -47.984 1.00 0.00 O ATOM 1826 NE2 GLN A 468 -69.229 -23.769 -46.459 1.00 0.00 N ATOM 0 H GLN A 468 -73.845 -26.308 -46.983 1.00 0.00 H new ATOM 0 HA GLN A 468 -73.406 -24.663 -44.663 1.00 0.00 H new ATOM 0 HB2 GLN A 468 -72.616 -24.442 -47.574 1.00 0.00 H new ATOM 0 HB3 GLN A 468 -72.189 -23.245 -46.368 1.00 0.00 H new ATOM 0 HG2 GLN A 468 -70.988 -24.982 -45.067 1.00 0.00 H new ATOM 0 HG3 GLN A 468 -71.416 -26.180 -46.273 1.00 0.00 H new ATOM 0 HE21 GLN A 468 -69.488 -23.311 -45.585 1.00 0.00 H new ATOM 0 HE22 GLN A 468 -68.397 -23.468 -46.966 1.00 0.00 H new ATOM 1835 N THR A 469 -75.245 -23.067 -44.871 1.00 0.00 N ATOM 1836 CA THR A 469 -76.308 -22.093 -44.911 1.00 0.00 C ATOM 1837 C THR A 469 -76.222 -21.181 -43.701 1.00 0.00 C ATOM 1838 O THR A 469 -75.374 -21.375 -42.824 1.00 0.00 O ATOM 1839 CB THR A 469 -77.695 -22.787 -44.909 1.00 0.00 C ATOM 1840 OG1 THR A 469 -77.684 -23.894 -43.997 1.00 0.00 O ATOM 1841 CG2 THR A 469 -78.089 -23.270 -46.300 1.00 0.00 C ATOM 0 H THR A 469 -74.919 -23.285 -43.929 1.00 0.00 H new ATOM 0 HA THR A 469 -76.196 -21.514 -45.828 1.00 0.00 H new ATOM 0 HB THR A 469 -78.433 -22.051 -44.590 1.00 0.00 H new ATOM 0 HG1 THR A 469 -77.816 -24.728 -44.494 1.00 0.00 H new ATOM 0 HG21 THR A 469 -79.066 -23.750 -46.255 1.00 0.00 H new ATOM 0 HG22 THR A 469 -78.133 -22.420 -46.981 1.00 0.00 H new ATOM 0 HG23 THR A 469 -77.350 -23.985 -46.660 1.00 0.00 H new ATOM 1849 N GLU A 470 -77.072 -20.184 -43.668 1.00 0.00 N ATOM 1850 CA GLU A 470 -77.173 -19.303 -42.535 1.00 0.00 C ATOM 1851 C GLU A 470 -78.310 -19.775 -41.640 1.00 0.00 C ATOM 1852 O GLU A 470 -79.254 -20.416 -42.122 1.00 0.00 O ATOM 1853 CB GLU A 470 -77.402 -17.853 -42.978 1.00 0.00 C ATOM 1854 CG GLU A 470 -78.632 -17.661 -43.833 1.00 0.00 C ATOM 1855 CD GLU A 470 -78.387 -17.926 -45.307 1.00 0.00 C ATOM 1856 OE1 GLU A 470 -78.356 -19.111 -45.713 1.00 0.00 O1- ATOM 1857 OE2 GLU A 470 -78.226 -16.955 -46.069 1.00 0.00 O ATOM 0 H GLU A 470 -77.714 -19.962 -44.429 1.00 0.00 H new ATOM 0 HA GLU A 470 -76.235 -19.329 -41.981 1.00 0.00 H new ATOM 0 HB2 GLU A 470 -77.485 -17.222 -42.093 1.00 0.00 H new ATOM 0 HB3 GLU A 470 -76.529 -17.511 -43.533 1.00 0.00 H new ATOM 0 HG2 GLU A 470 -79.420 -18.325 -43.478 1.00 0.00 H new ATOM 0 HG3 GLU A 470 -78.996 -16.641 -43.710 1.00 0.00 H new ATOM 1864 N TRP A 471 -78.212 -19.484 -40.348 1.00 0.00 N ATOM 1865 CA TRP A 471 -79.229 -19.894 -39.385 1.00 0.00 C ATOM 1866 C TRP A 471 -80.624 -19.429 -39.802 1.00 0.00 C ATOM 1867 O TRP A 471 -80.863 -18.232 -40.005 1.00 0.00 O ATOM 1868 CB TRP A 471 -78.887 -19.372 -37.982 1.00 0.00 C ATOM 1869 CG TRP A 471 -79.965 -19.621 -36.968 1.00 0.00 C ATOM 1870 CD1 TRP A 471 -80.558 -18.692 -36.166 1.00 0.00 C ATOM 1871 CD2 TRP A 471 -80.591 -20.875 -36.659 1.00 0.00 C ATOM 1872 NE1 TRP A 471 -81.506 -19.288 -35.376 1.00 0.00 N ATOM 1873 CE2 TRP A 471 -81.547 -20.626 -35.660 1.00 0.00 C ATOM 1874 CE3 TRP A 471 -80.435 -22.181 -37.130 1.00 0.00 C ATOM 1875 CZ2 TRP A 471 -82.344 -21.632 -35.126 1.00 0.00 C ATOM 1876 CZ3 TRP A 471 -81.226 -23.178 -36.597 1.00 0.00 C ATOM 1877 CH2 TRP A 471 -82.170 -22.898 -35.606 1.00 0.00 C ATOM 0 H TRP A 471 -77.435 -18.963 -39.941 1.00 0.00 H new ATOM 0 HA TRP A 471 -79.237 -20.984 -39.363 1.00 0.00 H new ATOM 0 HB2 TRP A 471 -77.965 -19.844 -37.643 1.00 0.00 H new ATOM 0 HB3 TRP A 471 -78.694 -18.301 -38.039 1.00 0.00 H new ATOM 0 HD1 TRP A 471 -80.316 -17.640 -36.155 1.00 0.00 H new ATOM 0 HE1 TRP A 471 -82.088 -18.811 -34.687 1.00 0.00 H new ATOM 0 HE3 TRP A 471 -79.709 -22.406 -37.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 471 -83.074 -21.420 -34.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 471 -81.113 -24.192 -36.952 1.00 0.00 H new ATOM 0 HH2 TRP A 471 -82.775 -23.701 -35.211 1.00 0.00 H new ATOM 1888 N THR A 472 -81.532 -20.383 -39.933 1.00 0.00 N ATOM 1889 CA THR A 472 -82.894 -20.099 -40.312 1.00 0.00 C ATOM 1890 C THR A 472 -83.811 -21.257 -39.927 1.00 0.00 C ATOM 1891 O THR A 472 -83.375 -22.414 -39.831 1.00 0.00 O ATOM 1892 CB THR A 472 -83.021 -19.830 -41.835 1.00 0.00 C ATOM 1893 OG1 THR A 472 -84.380 -19.512 -42.162 1.00 0.00 O ATOM 1894 CG2 THR A 472 -82.580 -21.043 -42.642 1.00 0.00 C ATOM 0 H THR A 472 -81.339 -21.373 -39.778 1.00 0.00 H new ATOM 0 HA THR A 472 -83.195 -19.199 -39.776 1.00 0.00 H new ATOM 0 HB THR A 472 -82.374 -18.990 -42.086 1.00 0.00 H new ATOM 0 HG1 THR A 472 -84.454 -19.342 -43.124 1.00 0.00 H new ATOM 0 HG21 THR A 472 -82.679 -20.828 -43.706 1.00 0.00 H new ATOM 0 HG22 THR A 472 -81.539 -21.273 -42.414 1.00 0.00 H new ATOM 0 HG23 THR A 472 -83.205 -21.898 -42.385 1.00 0.00 H new ATOM 1902 N ARG A 473 -85.074 -20.937 -39.712 1.00 0.00 N ATOM 1903 CA ARG A 473 -86.087 -21.921 -39.371 1.00 0.00 C ATOM 1904 C ARG A 473 -86.327 -22.863 -40.547 1.00 0.00 C ATOM 1905 O ARG A 473 -86.742 -24.009 -40.362 1.00 0.00 O ATOM 1906 CB ARG A 473 -87.383 -21.201 -38.991 1.00 0.00 C ATOM 1907 CG ARG A 473 -88.566 -22.114 -38.731 1.00 0.00 C ATOM 1908 CD ARG A 473 -89.843 -21.312 -38.536 1.00 0.00 C ATOM 1909 NE ARG A 473 -90.146 -20.469 -39.696 1.00 0.00 N ATOM 1910 CZ ARG A 473 -91.336 -19.912 -39.937 1.00 0.00 C ATOM 1911 NH1 ARG A 473 -92.368 -20.151 -39.131 1.00 0.00 N1+ ATOM 1912 NH2 ARG A 473 -91.495 -19.128 -40.992 1.00 0.00 N ATOM 0 H ARG A 473 -85.428 -19.982 -39.769 1.00 0.00 H new ATOM 0 HA ARG A 473 -85.744 -22.514 -38.524 1.00 0.00 H new ATOM 0 HB2 ARG A 473 -87.201 -20.602 -38.098 1.00 0.00 H new ATOM 0 HB3 ARG A 473 -87.645 -20.509 -39.791 1.00 0.00 H new ATOM 0 HG2 ARG A 473 -88.689 -22.802 -39.567 1.00 0.00 H new ATOM 0 HG3 ARG A 473 -88.374 -22.720 -37.845 1.00 0.00 H new ATOM 0 HD2 ARG A 473 -90.675 -21.993 -38.356 1.00 0.00 H new ATOM 0 HD3 ARG A 473 -89.746 -20.686 -37.649 1.00 0.00 H new ATOM 0 HE ARG A 473 -89.396 -20.296 -40.366 1.00 0.00 H new ATOM 0 HH11 ARG A 473 -92.253 -20.763 -38.323 1.00 0.00 H new ATOM 0 HH12 ARG A 473 -93.274 -19.722 -39.321 1.00 0.00 H new ATOM 0 HH21 ARG A 473 -90.710 -18.951 -41.618 1.00 0.00 H new ATOM 0 HH22 ARG A 473 -92.403 -18.701 -41.178 1.00 0.00 H new ATOM 1926 N ASP A 474 -86.043 -22.374 -41.753 1.00 0.00 N ATOM 1927 CA ASP A 474 -86.218 -23.166 -42.972 1.00 0.00 C ATOM 1928 C ASP A 474 -85.407 -24.451 -42.922 1.00 0.00 C ATOM 1929 O ASP A 474 -85.836 -25.486 -43.436 1.00 0.00 O ATOM 1930 CB ASP A 474 -85.836 -22.355 -44.214 1.00 0.00 C ATOM 1931 CG ASP A 474 -86.852 -21.287 -44.545 1.00 0.00 C ATOM 1932 OD1 ASP A 474 -86.783 -20.191 -43.958 1.00 0.00 O1- ATOM 1933 OD2 ASP A 474 -87.731 -21.539 -45.390 1.00 0.00 O ATOM 0 H ASP A 474 -85.690 -21.431 -41.914 1.00 0.00 H new ATOM 0 HA ASP A 474 -87.274 -23.429 -43.036 1.00 0.00 H new ATOM 0 HB2 ASP A 474 -84.864 -21.889 -44.054 1.00 0.00 H new ATOM 0 HB3 ASP A 474 -85.731 -23.028 -45.065 1.00 0.00 H new ATOM 1938 N CYS A 475 -84.237 -24.393 -42.301 1.00 0.00 N ATOM 1939 CA CYS A 475 -83.399 -25.570 -42.175 1.00 0.00 C ATOM 1940 C CYS A 475 -83.624 -26.223 -40.817 1.00 0.00 C ATOM 1941 O CYS A 475 -83.475 -27.440 -40.667 1.00 0.00 O ATOM 1942 CB CYS A 475 -81.921 -25.205 -42.352 1.00 0.00 C ATOM 1943 SG CYS A 475 -80.920 -26.537 -43.058 1.00 0.00 S ATOM 0 H CYS A 475 -83.851 -23.548 -41.880 1.00 0.00 H new ATOM 0 HA CYS A 475 -83.671 -26.277 -42.959 1.00 0.00 H new ATOM 0 HB2 CYS A 475 -81.847 -24.328 -42.995 1.00 0.00 H new ATOM 0 HB3 CYS A 475 -81.507 -24.926 -41.383 1.00 0.00 H new ATOM 0 HG CYS A 475 -79.888 -26.754 -42.298 1.00 0.00 H new ATOM 1948 N MET A 476 -84.015 -25.402 -39.839 1.00 0.00 N ATOM 1949 CA MET A 476 -84.263 -25.865 -38.475 1.00 0.00 C ATOM 1950 C MET A 476 -85.255 -27.028 -38.451 1.00 0.00 C ATOM 1951 O MET A 476 -85.046 -28.020 -37.758 1.00 0.00 O ATOM 1952 CB MET A 476 -84.785 -24.722 -37.601 1.00 0.00 C ATOM 1953 CG MET A 476 -84.980 -25.111 -36.144 1.00 0.00 C ATOM 1954 SD MET A 476 -85.587 -23.750 -35.126 1.00 0.00 S ATOM 1955 CE MET A 476 -85.677 -24.559 -33.527 1.00 0.00 C ATOM 0 H MET A 476 -84.168 -24.402 -39.971 1.00 0.00 H new ATOM 0 HA MET A 476 -83.312 -26.216 -38.073 1.00 0.00 H new ATOM 0 HB2 MET A 476 -84.087 -23.886 -37.655 1.00 0.00 H new ATOM 0 HB3 MET A 476 -85.735 -24.371 -38.005 1.00 0.00 H new ATOM 0 HG2 MET A 476 -85.683 -25.942 -36.087 1.00 0.00 H new ATOM 0 HG3 MET A 476 -84.033 -25.466 -35.739 1.00 0.00 H new ATOM 0 HE1 MET A 476 -86.037 -23.851 -32.781 1.00 0.00 H new ATOM 0 HE2 MET A 476 -86.362 -25.405 -33.585 1.00 0.00 H new ATOM 0 HE3 MET A 476 -84.686 -24.914 -33.242 1.00 0.00 H new ATOM 1965 N GLY A 477 -86.326 -26.901 -39.213 1.00 0.00 N ATOM 1966 CA GLY A 477 -87.324 -27.949 -39.252 1.00 0.00 C ATOM 1967 C GLY A 477 -87.199 -28.829 -40.479 1.00 0.00 C ATOM 1968 O GLY A 477 -88.147 -29.512 -40.858 1.00 0.00 O ATOM 0 H GLY A 477 -86.524 -26.094 -39.805 1.00 0.00 H new ATOM 0 HA2 GLY A 477 -87.234 -28.565 -38.357 1.00 0.00 H new ATOM 0 HA3 GLY A 477 -88.317 -27.500 -39.231 1.00 0.00 H new ATOM 1972 N ALA A 478 -86.031 -28.822 -41.099 1.00 0.00 N ATOM 1973 CA ALA A 478 -85.813 -29.609 -42.301 1.00 0.00 C ATOM 1974 C ALA A 478 -84.957 -30.834 -42.016 1.00 0.00 C ATOM 1975 O ALA A 478 -85.423 -31.971 -42.141 1.00 0.00 O ATOM 1976 CB ALA A 478 -85.174 -28.759 -43.383 1.00 0.00 C ATOM 0 H ALA A 478 -85.222 -28.282 -40.791 1.00 0.00 H new ATOM 0 HA ALA A 478 -86.785 -29.955 -42.652 1.00 0.00 H new ATOM 0 HB1 ALA A 478 -85.018 -29.364 -44.276 1.00 0.00 H new ATOM 0 HB2 ALA A 478 -85.829 -27.921 -43.622 1.00 0.00 H new ATOM 0 HB3 ALA A 478 -84.215 -28.380 -43.029 1.00 0.00 H new ATOM 1982 N HIS A 479 -83.708 -30.605 -41.634 1.00 0.00 N ATOM 1983 CA HIS A 479 -82.785 -31.698 -41.347 1.00 0.00 C ATOM 1984 C HIS A 479 -81.782 -31.306 -40.269 1.00 0.00 C ATOM 1985 O HIS A 479 -80.659 -31.825 -40.231 1.00 0.00 O ATOM 1986 CB HIS A 479 -82.053 -32.156 -42.633 1.00 0.00 C ATOM 1987 CG HIS A 479 -81.296 -31.073 -43.363 1.00 0.00 C ATOM 1988 ND1 HIS A 479 -81.537 -30.724 -44.671 1.00 0.00 N ATOM 1989 CD2 HIS A 479 -80.274 -30.281 -42.949 1.00 0.00 C ATOM 1990 CE1 HIS A 479 -80.678 -29.758 -45.009 1.00 0.00 C ATOM 1991 NE2 HIS A 479 -79.886 -29.450 -43.998 1.00 0.00 N ATOM 0 H HIS A 479 -83.310 -29.674 -41.515 1.00 0.00 H new ATOM 0 HA HIS A 479 -83.372 -32.536 -40.971 1.00 0.00 H new ATOM 0 HB2 HIS A 479 -81.355 -32.951 -42.371 1.00 0.00 H new ATOM 0 HB3 HIS A 479 -82.786 -32.587 -43.315 1.00 0.00 H new ATOM 0 HD1 HIS A 479 -82.248 -31.132 -45.278 1.00 0.00 H new ATOM 0 HD2 HIS A 479 -79.832 -30.293 -41.964 1.00 0.00 H new ATOM 0 HE1 HIS A 479 -80.637 -29.290 -45.982 1.00 0.00 H new ATOM 1999 N TRP A 480 -82.192 -30.409 -39.385 1.00 0.00 N ATOM 2000 CA TRP A 480 -81.326 -29.950 -38.309 1.00 0.00 C ATOM 2001 C TRP A 480 -81.108 -31.075 -37.303 1.00 0.00 C ATOM 2002 O TRP A 480 -80.070 -31.151 -36.648 1.00 0.00 O ATOM 2003 CB TRP A 480 -81.936 -28.727 -37.619 1.00 0.00 C ATOM 2004 CG TRP A 480 -80.988 -28.015 -36.701 1.00 0.00 C ATOM 2005 CD1 TRP A 480 -80.826 -28.221 -35.362 1.00 0.00 C ATOM 2006 CD2 TRP A 480 -80.070 -26.978 -37.061 1.00 0.00 C ATOM 2007 NE1 TRP A 480 -79.865 -27.376 -34.869 1.00 0.00 N ATOM 2008 CE2 TRP A 480 -79.384 -26.603 -35.891 1.00 0.00 C ATOM 2009 CE3 TRP A 480 -79.760 -26.331 -38.259 1.00 0.00 C ATOM 2010 CZ2 TRP A 480 -78.408 -25.610 -35.884 1.00 0.00 C ATOM 2011 CZ3 TRP A 480 -78.793 -25.346 -38.251 1.00 0.00 C ATOM 2012 CH2 TRP A 480 -78.127 -24.995 -37.071 1.00 0.00 C ATOM 0 H TRP A 480 -83.119 -29.984 -39.391 1.00 0.00 H new ATOM 0 HA TRP A 480 -80.363 -29.662 -38.729 1.00 0.00 H new ATOM 0 HB2 TRP A 480 -82.284 -28.028 -38.380 1.00 0.00 H new ATOM 0 HB3 TRP A 480 -82.811 -29.041 -37.050 1.00 0.00 H new ATOM 0 HD1 TRP A 480 -81.374 -28.944 -34.776 1.00 0.00 H new ATOM 0 HE1 TRP A 480 -79.558 -27.331 -33.897 1.00 0.00 H new ATOM 0 HE3 TRP A 480 -80.267 -26.596 -39.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 480 -77.893 -25.336 -34.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 480 -78.546 -24.837 -39.171 1.00 0.00 H new ATOM 0 HH2 TRP A 480 -77.374 -24.221 -37.100 1.00 0.00 H new ATOM 2023 N PHE A 481 -82.097 -31.940 -37.182 1.00 0.00 N ATOM 2024 CA PHE A 481 -81.992 -33.091 -36.317 1.00 0.00 C ATOM 2025 C PHE A 481 -81.485 -34.281 -37.117 1.00 0.00 C ATOM 2026 O PHE A 481 -82.177 -34.789 -38.006 1.00 0.00 O ATOM 2027 CB PHE A 481 -83.345 -33.415 -35.670 1.00 0.00 C ATOM 2028 CG PHE A 481 -83.304 -34.607 -34.748 1.00 0.00 C ATOM 2029 CD1 PHE A 481 -82.708 -34.515 -33.501 1.00 0.00 C ATOM 2030 CD2 PHE A 481 -83.860 -35.817 -35.133 1.00 0.00 C ATOM 2031 CE1 PHE A 481 -82.666 -35.607 -32.654 1.00 0.00 C ATOM 2032 CE2 PHE A 481 -83.821 -36.912 -34.291 1.00 0.00 C ATOM 2033 CZ PHE A 481 -83.224 -36.806 -33.050 1.00 0.00 C ATOM 0 H PHE A 481 -82.986 -31.863 -37.677 1.00 0.00 H new ATOM 0 HA PHE A 481 -81.286 -32.868 -35.517 1.00 0.00 H new ATOM 0 HB2 PHE A 481 -83.688 -32.545 -35.110 1.00 0.00 H new ATOM 0 HB3 PHE A 481 -84.079 -33.599 -36.455 1.00 0.00 H new ATOM 0 HD1 PHE A 481 -82.271 -33.579 -33.187 1.00 0.00 H new ATOM 0 HD2 PHE A 481 -84.329 -35.905 -36.102 1.00 0.00 H new ATOM 0 HE1 PHE A 481 -82.198 -35.522 -31.685 1.00 0.00 H new ATOM 0 HE2 PHE A 481 -84.257 -37.850 -34.603 1.00 0.00 H new ATOM 0 HZ PHE A 481 -83.194 -37.660 -32.390 1.00 0.00 H new ATOM 2043 N GLY A 482 -80.278 -34.707 -36.823 1.00 0.00 N ATOM 2044 CA GLY A 482 -79.701 -35.817 -37.537 1.00 0.00 C ATOM 2045 C GLY A 482 -79.773 -37.093 -36.749 1.00 0.00 C ATOM 2046 O GLY A 482 -79.709 -37.028 -35.508 1.00 0.00 O ATOM 2047 OXT GLY A 482 -79.903 -38.169 -37.365 1.00 0.00 O ATOM 0 H GLY A 482 -79.682 -34.304 -36.100 1.00 0.00 H new ATOM 0 HA2 GLY A 482 -80.221 -35.947 -38.486 1.00 0.00 H new ATOM 0 HA3 GLY A 482 -78.660 -35.595 -37.772 1.00 0.00 H new