USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 594 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: B 462 GLN : amide:sc= -4.43! K(o=-5.4!,f=-2.9) USER MOD Set 1.2: B 465 LYS NZ :NH3+ -168:sc= -0.996 (180deg=-1.19) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : B 411 MET CE :methyl 136:sc= -3.33! (180deg=-7.32!) USER MOD Single : B 413 LYS NZ :NH3+ -172:sc= -1.59! (180deg=-1.8) USER MOD Single : B 415 GLN : amide:sc= -3.21 K(o=-3.2,f=-0.66) USER MOD Single : B 417 GLN : amide:sc= -5.68! C(o=-5.7!,f=-7!) USER MOD Single : B 418 HIS : no HD1:sc= -0.689 X(o=-0.69,f=-0.24) USER MOD Single : B 420 TYR OH : rot 93:sc= 0.208 USER MOD Single : B 421 THR OG1 : rot 180:sc= 0 USER MOD Single : B 423 THR OG1 : rot 57:sc= 1.1 USER MOD Single : B 425 THR OG1 : rot -39:sc= 0.421 USER MOD Single : B 429 GLN : amide:sc= -0.0508 X(o=-0.051,f=0) USER MOD Single : B 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 453 MET CE :methyl -105:sc= -3.32! (180deg=-6.11!) USER MOD Single : B 456 LYS NZ :NH3+ -122:sc= -0.149 (180deg=-0.989) USER MOD Single : B 458 SER OG : rot 180:sc= 0 USER MOD Single : B 461 ASN : amide:sc= -0.536 K(o=-0.54,f=-0.00017) USER MOD Single : B 463 HIS : no HD1:sc= -0.722 K(o=-0.72,f=-2!) USER MOD Single : B 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 468 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 469 CYS SG : rot -55:sc= -2.62! USER MOD Single : B 476 ASN : amide:sc= -0.309 K(o=-0.31,f=-0.84) USER MOD Single : B 478 THR OG1 : rot -85:sc= -0.103 USER MOD ----------------------------------------------------------------- ATOM 67 N PRO A 59 3.298 -8.326 -8.715 1.00 0.00 N ATOM 68 CA PRO A 59 4.160 -9.461 -8.998 1.00 0.00 C ATOM 69 C PRO A 59 4.317 -9.667 -10.506 1.00 0.00 C ATOM 70 O PRO A 59 3.623 -9.032 -11.299 1.00 0.00 O ATOM 71 CB PRO A 59 3.498 -10.640 -8.304 1.00 0.00 C ATOM 72 CG PRO A 59 2.059 -10.222 -8.052 1.00 0.00 C ATOM 73 CD PRO A 59 1.967 -8.719 -8.263 1.00 0.00 C ATOM 0 HA PRO A 59 5.177 -9.319 -8.631 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.542 -11.534 -8.926 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.005 -10.877 -7.369 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.385 -10.745 -8.731 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.757 -10.484 -7.038 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.207 -8.469 -9.004 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.694 -8.206 -7.341 1.00 0.00 H new ATOM 81 N PRO A 60 5.259 -10.579 -10.867 1.00 0.00 N ATOM 82 CA PRO A 60 5.516 -10.877 -12.265 1.00 0.00 C ATOM 83 C PRO A 60 4.402 -11.743 -12.855 1.00 0.00 C ATOM 84 O PRO A 60 3.640 -12.368 -12.118 1.00 0.00 O ATOM 85 CB PRO A 60 6.872 -11.563 -12.279 1.00 0.00 C ATOM 86 CG PRO A 60 7.112 -12.041 -10.856 1.00 0.00 C ATOM 87 CD PRO A 60 6.102 -11.348 -9.956 1.00 0.00 C ATOM 0 HA PRO A 60 5.530 -9.984 -12.889 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.880 -12.399 -12.978 1.00 0.00 H new ATOM 0 HB3 PRO A 60 7.655 -10.874 -12.597 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.000 -13.123 -10.793 1.00 0.00 H new ATOM 0 HG3 PRO A 60 8.129 -11.806 -10.541 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.515 -12.071 -9.389 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.596 -10.700 -9.232 1.00 0.00 H new ATOM 95 N LEU A 61 4.341 -11.753 -14.179 1.00 0.00 N ATOM 96 CA LEU A 61 3.332 -12.532 -14.876 1.00 0.00 C ATOM 97 C LEU A 61 3.486 -14.008 -14.504 1.00 0.00 C ATOM 98 O LEU A 61 4.581 -14.563 -14.592 1.00 0.00 O ATOM 99 CB LEU A 61 3.397 -12.268 -16.382 1.00 0.00 C ATOM 100 CG LEU A 61 2.114 -11.736 -17.025 1.00 0.00 C ATOM 101 CD1 LEU A 61 0.958 -12.720 -16.837 1.00 0.00 C ATOM 102 CD2 LEU A 61 1.773 -10.342 -16.496 1.00 0.00 C ATOM 0 H LEU A 61 4.974 -11.234 -14.787 1.00 0.00 H new ATOM 0 HA LEU A 61 2.333 -12.227 -14.565 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.198 -11.554 -16.571 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.673 -13.196 -16.882 1.00 0.00 H new ATOM 0 HG LEU A 61 2.283 -11.640 -18.097 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.058 -12.318 -17.303 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.212 -13.673 -17.301 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.778 -12.871 -15.773 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.857 -9.987 -16.969 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.630 -10.388 -15.416 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.589 -9.656 -16.725 1.00 0.00 H new ATOM 114 N SER A 62 2.374 -14.602 -14.096 1.00 0.00 N ATOM 115 CA SER A 62 2.372 -16.003 -13.710 1.00 0.00 C ATOM 116 C SER A 62 1.985 -16.874 -14.907 1.00 0.00 C ATOM 117 O SER A 62 1.364 -16.394 -15.854 1.00 0.00 O ATOM 118 CB SER A 62 1.417 -16.251 -12.541 1.00 0.00 C ATOM 119 OG SER A 62 0.056 -16.288 -12.962 1.00 0.00 O ATOM 0 H SER A 62 1.468 -14.139 -14.024 1.00 0.00 H new ATOM 0 HA SER A 62 3.377 -16.270 -13.384 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.673 -17.194 -12.058 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.545 -15.466 -11.796 1.00 0.00 H new ATOM 0 HG SER A 62 -0.522 -16.450 -12.187 1.00 0.00 H new ATOM 125 N PRO A 63 2.376 -18.174 -14.822 1.00 0.00 N ATOM 126 CA PRO A 63 2.076 -19.116 -15.886 1.00 0.00 C ATOM 127 C PRO A 63 0.601 -19.523 -15.858 1.00 0.00 C ATOM 128 O PRO A 63 -0.124 -19.177 -14.927 1.00 0.00 O ATOM 129 CB PRO A 63 3.019 -20.286 -15.653 1.00 0.00 C ATOM 130 CG PRO A 63 3.483 -20.166 -14.211 1.00 0.00 C ATOM 131 CD PRO A 63 3.112 -18.778 -13.715 1.00 0.00 C ATOM 0 HA PRO A 63 2.227 -18.691 -16.879 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.512 -21.236 -15.822 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.865 -20.249 -16.340 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.011 -20.931 -13.594 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.560 -20.320 -14.143 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.501 -18.830 -12.814 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.999 -18.196 -13.465 1.00 0.00 H new ATOM 279 N LEU B 406 -20.628 -24.131 2.151 1.00 0.00 N ATOM 280 CA LEU B 406 -19.303 -23.547 2.038 1.00 0.00 C ATOM 281 C LEU B 406 -18.389 -24.509 1.276 1.00 0.00 C ATOM 282 O LEU B 406 -18.656 -25.708 1.217 1.00 0.00 O ATOM 283 CB LEU B 406 -18.770 -23.157 3.419 1.00 0.00 C ATOM 284 CG LEU B 406 -17.516 -23.898 3.888 1.00 0.00 C ATOM 285 CD1 LEU B 406 -16.778 -23.100 4.965 1.00 0.00 C ATOM 286 CD2 LEU B 406 -17.860 -25.313 4.357 1.00 0.00 C ATOM 0 HA LEU B 406 -19.343 -22.622 1.463 1.00 0.00 H new ATOM 0 HB2 LEU B 406 -18.556 -22.088 3.415 1.00 0.00 H new ATOM 0 HB3 LEU B 406 -19.560 -23.322 4.151 1.00 0.00 H new ATOM 0 HG LEU B 406 -16.839 -23.995 3.040 1.00 0.00 H new ATOM 0 HD11 LEU B 406 -15.891 -23.649 5.281 1.00 0.00 H new ATOM 0 HD12 LEU B 406 -16.481 -22.132 4.561 1.00 0.00 H new ATOM 0 HD13 LEU B 406 -17.436 -22.950 5.821 1.00 0.00 H new ATOM 0 HD21 LEU B 406 -16.952 -25.818 4.685 1.00 0.00 H new ATOM 0 HD22 LEU B 406 -18.566 -25.260 5.186 1.00 0.00 H new ATOM 0 HD23 LEU B 406 -18.308 -25.870 3.534 1.00 0.00 H new ATOM 298 N PRO B 407 -17.302 -23.932 0.697 1.00 0.00 N ATOM 299 CA PRO B 407 -16.348 -24.725 -0.059 1.00 0.00 C ATOM 300 C PRO B 407 -15.457 -25.547 0.874 1.00 0.00 C ATOM 301 O PRO B 407 -14.964 -25.036 1.878 1.00 0.00 O ATOM 302 CB PRO B 407 -15.569 -23.717 -0.889 1.00 0.00 C ATOM 303 CG PRO B 407 -15.795 -22.368 -0.226 1.00 0.00 C ATOM 304 CD PRO B 407 -16.954 -22.515 0.746 1.00 0.00 C ATOM 0 HA PRO B 407 -16.829 -25.463 -0.701 1.00 0.00 H new ATOM 0 HB2 PRO B 407 -14.508 -23.967 -0.913 1.00 0.00 H new ATOM 0 HB3 PRO B 407 -15.918 -23.708 -1.922 1.00 0.00 H new ATOM 0 HG2 PRO B 407 -14.896 -22.045 0.298 1.00 0.00 H new ATOM 0 HG3 PRO B 407 -16.018 -21.608 -0.974 1.00 0.00 H new ATOM 0 HD2 PRO B 407 -16.667 -22.212 1.753 1.00 0.00 H new ATOM 0 HD3 PRO B 407 -17.798 -21.890 0.454 1.00 0.00 H new ATOM 312 N PRO B 408 -15.273 -26.842 0.500 1.00 0.00 N ATOM 313 CA PRO B 408 -14.450 -27.740 1.291 1.00 0.00 C ATOM 314 C PRO B 408 -12.963 -27.436 1.096 1.00 0.00 C ATOM 315 O PRO B 408 -12.515 -27.203 -0.025 1.00 0.00 O ATOM 316 CB PRO B 408 -14.836 -29.136 0.831 1.00 0.00 C ATOM 317 CG PRO B 408 -15.515 -28.957 -0.517 1.00 0.00 C ATOM 318 CD PRO B 408 -15.842 -27.482 -0.683 1.00 0.00 C ATOM 0 HA PRO B 408 -14.616 -27.628 2.362 1.00 0.00 H new ATOM 0 HB2 PRO B 408 -13.958 -29.776 0.744 1.00 0.00 H new ATOM 0 HB3 PRO B 408 -15.507 -29.611 1.546 1.00 0.00 H new ATOM 0 HG2 PRO B 408 -14.862 -29.296 -1.321 1.00 0.00 H new ATOM 0 HG3 PRO B 408 -16.423 -29.557 -0.570 1.00 0.00 H new ATOM 0 HD2 PRO B 408 -15.407 -27.080 -1.598 1.00 0.00 H new ATOM 0 HD3 PRO B 408 -16.918 -27.319 -0.743 1.00 0.00 H new ATOM 326 N GLY B 409 -12.239 -27.448 2.206 1.00 0.00 N ATOM 327 CA GLY B 409 -10.812 -27.177 2.172 1.00 0.00 C ATOM 328 C GLY B 409 -10.535 -25.679 2.317 1.00 0.00 C ATOM 329 O GLY B 409 -9.443 -25.283 2.721 1.00 0.00 O ATOM 0 H GLY B 409 -12.614 -27.641 3.135 1.00 0.00 H new ATOM 0 HA2 GLY B 409 -10.315 -27.722 2.975 1.00 0.00 H new ATOM 0 HA3 GLY B 409 -10.392 -27.539 1.234 1.00 0.00 H new ATOM 333 N PHE B 410 -11.543 -24.888 1.981 1.00 0.00 N ATOM 334 CA PHE B 410 -11.422 -23.443 2.069 1.00 0.00 C ATOM 335 C PHE B 410 -10.585 -23.036 3.284 1.00 0.00 C ATOM 336 O PHE B 410 -10.609 -23.710 4.313 1.00 0.00 O ATOM 337 CB PHE B 410 -12.837 -22.884 2.229 1.00 0.00 C ATOM 338 CG PHE B 410 -12.889 -21.494 2.867 1.00 0.00 C ATOM 339 CD1 PHE B 410 -12.660 -20.389 2.109 1.00 0.00 C ATOM 340 CD2 PHE B 410 -13.165 -21.364 4.193 1.00 0.00 C ATOM 341 CE1 PHE B 410 -12.708 -19.099 2.701 1.00 0.00 C ATOM 342 CE2 PHE B 410 -13.213 -20.075 4.785 1.00 0.00 C ATOM 343 CZ PHE B 410 -12.984 -18.969 4.026 1.00 0.00 C ATOM 0 H PHE B 410 -12.448 -25.221 1.647 1.00 0.00 H new ATOM 0 HA PHE B 410 -10.931 -23.056 1.176 1.00 0.00 H new ATOM 0 HB2 PHE B 410 -13.312 -22.841 1.249 1.00 0.00 H new ATOM 0 HB3 PHE B 410 -13.422 -23.574 2.837 1.00 0.00 H new ATOM 0 HD1 PHE B 410 -12.442 -20.492 1.056 1.00 0.00 H new ATOM 0 HD2 PHE B 410 -13.348 -22.242 4.795 1.00 0.00 H new ATOM 0 HE1 PHE B 410 -12.525 -18.221 2.099 1.00 0.00 H new ATOM 0 HE2 PHE B 410 -13.431 -19.972 5.838 1.00 0.00 H new ATOM 0 HZ PHE B 410 -13.021 -17.988 4.476 1.00 0.00 H new ATOM 353 N MET B 411 -9.865 -21.935 3.125 1.00 0.00 N ATOM 354 CA MET B 411 -9.024 -21.430 4.196 1.00 0.00 C ATOM 355 C MET B 411 -9.659 -20.208 4.863 1.00 0.00 C ATOM 356 O MET B 411 -10.117 -20.286 6.002 1.00 0.00 O ATOM 357 CB MET B 411 -7.653 -21.050 3.633 1.00 0.00 C ATOM 358 CG MET B 411 -7.025 -22.224 2.879 1.00 0.00 C ATOM 359 SD MET B 411 -5.261 -21.989 2.743 1.00 0.00 S ATOM 360 CE MET B 411 -5.044 -22.277 0.995 1.00 0.00 C ATOM 0 H MET B 411 -9.847 -21.379 2.270 1.00 0.00 H new ATOM 0 HA MET B 411 -8.914 -22.213 4.946 1.00 0.00 H new ATOM 0 HB2 MET B 411 -7.755 -20.196 2.963 1.00 0.00 H new ATOM 0 HB3 MET B 411 -6.995 -20.741 4.445 1.00 0.00 H new ATOM 0 HG2 MET B 411 -7.237 -23.157 3.401 1.00 0.00 H new ATOM 0 HG3 MET B 411 -7.467 -22.307 1.886 1.00 0.00 H new ATOM 0 HE1 MET B 411 -4.376 -21.521 0.582 1.00 0.00 H new ATOM 0 HE2 MET B 411 -4.613 -23.266 0.840 1.00 0.00 H new ATOM 0 HE3 MET B 411 -6.010 -22.220 0.494 1.00 0.00 H new ATOM 370 N PHE B 412 -9.666 -19.108 4.124 1.00 0.00 N ATOM 371 CA PHE B 412 -10.236 -17.871 4.630 1.00 0.00 C ATOM 372 C PHE B 412 -10.600 -16.926 3.483 1.00 0.00 C ATOM 373 O PHE B 412 -10.312 -17.213 2.322 1.00 0.00 O ATOM 374 CB PHE B 412 -9.167 -17.209 5.501 1.00 0.00 C ATOM 375 CG PHE B 412 -7.783 -17.151 4.851 1.00 0.00 C ATOM 376 CD1 PHE B 412 -7.506 -16.196 3.924 1.00 0.00 C ATOM 377 CD2 PHE B 412 -6.830 -18.056 5.201 1.00 0.00 C ATOM 378 CE1 PHE B 412 -6.222 -16.143 3.321 1.00 0.00 C ATOM 379 CE2 PHE B 412 -5.545 -18.002 4.598 1.00 0.00 C ATOM 380 CZ PHE B 412 -5.268 -17.047 3.670 1.00 0.00 C ATOM 0 H PHE B 412 -9.286 -19.048 3.179 1.00 0.00 H new ATOM 0 HA PHE B 412 -11.145 -18.083 5.193 1.00 0.00 H new ATOM 0 HB2 PHE B 412 -9.486 -16.195 5.743 1.00 0.00 H new ATOM 0 HB3 PHE B 412 -9.092 -17.753 6.443 1.00 0.00 H new ATOM 0 HD1 PHE B 412 -8.263 -15.477 3.646 1.00 0.00 H new ATOM 0 HD2 PHE B 412 -7.050 -18.815 5.937 1.00 0.00 H new ATOM 0 HE1 PHE B 412 -6.003 -15.384 2.585 1.00 0.00 H new ATOM 0 HE2 PHE B 412 -4.788 -18.720 4.877 1.00 0.00 H new ATOM 0 HZ PHE B 412 -4.291 -17.007 3.211 1.00 0.00 H new ATOM 390 N LYS B 413 -11.228 -15.818 3.849 1.00 0.00 N ATOM 391 CA LYS B 413 -11.635 -14.829 2.865 1.00 0.00 C ATOM 392 C LYS B 413 -10.561 -13.743 2.765 1.00 0.00 C ATOM 393 O LYS B 413 -9.982 -13.344 3.774 1.00 0.00 O ATOM 394 CB LYS B 413 -13.028 -14.288 3.193 1.00 0.00 C ATOM 395 CG LYS B 413 -14.021 -14.618 2.077 1.00 0.00 C ATOM 396 CD LYS B 413 -13.710 -13.816 0.811 1.00 0.00 C ATOM 397 CE LYS B 413 -13.383 -12.361 1.151 1.00 0.00 C ATOM 398 NZ LYS B 413 -14.422 -11.789 2.037 1.00 0.00 N ATOM 0 H LYS B 413 -11.465 -15.583 4.813 1.00 0.00 H new ATOM 0 HA LYS B 413 -11.720 -15.286 1.879 1.00 0.00 H new ATOM 0 HB2 LYS B 413 -13.376 -14.716 4.133 1.00 0.00 H new ATOM 0 HB3 LYS B 413 -12.979 -13.208 3.333 1.00 0.00 H new ATOM 0 HG2 LYS B 413 -13.983 -15.684 1.855 1.00 0.00 H new ATOM 0 HG3 LYS B 413 -15.035 -14.398 2.411 1.00 0.00 H new ATOM 0 HD2 LYS B 413 -12.868 -14.269 0.287 1.00 0.00 H new ATOM 0 HD3 LYS B 413 -14.564 -13.852 0.134 1.00 0.00 H new ATOM 0 HE2 LYS B 413 -12.410 -12.305 1.639 1.00 0.00 H new ATOM 0 HE3 LYS B 413 -13.314 -11.774 0.235 1.00 0.00 H new ATOM 0 HZ1 LYS B 413 -14.260 -10.768 2.148 1.00 0.00 H new ATOM 0 HZ2 LYS B 413 -15.361 -11.947 1.618 1.00 0.00 H new ATOM 0 HZ3 LYS B 413 -14.377 -12.250 2.968 1.00 0.00 H new ATOM 412 N VAL B 414 -10.329 -13.296 1.540 1.00 0.00 N ATOM 413 CA VAL B 414 -9.334 -12.265 1.295 1.00 0.00 C ATOM 414 C VAL B 414 -9.992 -11.089 0.573 1.00 0.00 C ATOM 415 O VAL B 414 -11.101 -11.215 0.055 1.00 0.00 O ATOM 416 CB VAL B 414 -8.150 -12.853 0.525 1.00 0.00 C ATOM 417 CG1 VAL B 414 -7.719 -14.194 1.123 1.00 0.00 C ATOM 418 CG2 VAL B 414 -8.479 -12.996 -0.962 1.00 0.00 C ATOM 0 H VAL B 414 -10.813 -13.629 0.706 1.00 0.00 H new ATOM 0 HA VAL B 414 -8.936 -11.887 2.237 1.00 0.00 H new ATOM 0 HB VAL B 414 -7.313 -12.160 0.617 1.00 0.00 H new ATOM 0 HG11 VAL B 414 -6.876 -14.590 0.557 1.00 0.00 H new ATOM 0 HG12 VAL B 414 -7.423 -14.051 2.162 1.00 0.00 H new ATOM 0 HG13 VAL B 414 -8.550 -14.897 1.076 1.00 0.00 H new ATOM 0 HG21 VAL B 414 -7.620 -13.416 -1.486 1.00 0.00 H new ATOM 0 HG22 VAL B 414 -9.337 -13.657 -1.083 1.00 0.00 H new ATOM 0 HG23 VAL B 414 -8.714 -12.017 -1.378 1.00 0.00 H new ATOM 428 N GLN B 415 -9.282 -9.970 0.560 1.00 0.00 N ATOM 429 CA GLN B 415 -9.783 -8.772 -0.091 1.00 0.00 C ATOM 430 C GLN B 415 -8.688 -8.139 -0.952 1.00 0.00 C ATOM 431 O GLN B 415 -7.624 -7.785 -0.448 1.00 0.00 O ATOM 432 CB GLN B 415 -10.318 -7.773 0.937 1.00 0.00 C ATOM 433 CG GLN B 415 -10.663 -6.437 0.275 1.00 0.00 C ATOM 434 CD GLN B 415 -12.174 -6.296 0.079 1.00 0.00 C ATOM 435 OE1 GLN B 415 -12.957 -6.377 1.010 1.00 0.00 O ATOM 436 NE2 GLN B 415 -12.538 -6.081 -1.182 1.00 0.00 N ATOM 0 H GLN B 415 -8.363 -9.868 0.991 1.00 0.00 H new ATOM 0 HA GLN B 415 -10.612 -9.054 -0.741 1.00 0.00 H new ATOM 0 HB2 GLN B 415 -11.205 -8.183 1.421 1.00 0.00 H new ATOM 0 HB3 GLN B 415 -9.574 -7.615 1.717 1.00 0.00 H new ATOM 0 HG2 GLN B 415 -10.294 -5.616 0.890 1.00 0.00 H new ATOM 0 HG3 GLN B 415 -10.159 -6.364 -0.689 1.00 0.00 H new ATOM 0 HE21 GLN B 415 -11.830 -6.024 -1.914 1.00 0.00 H new ATOM 0 HE22 GLN B 415 -13.525 -5.973 -1.417 1.00 0.00 H new ATOM 445 N ALA B 416 -8.989 -8.015 -2.237 1.00 0.00 N ATOM 446 CA ALA B 416 -8.044 -7.431 -3.173 1.00 0.00 C ATOM 447 C ALA B 416 -7.858 -5.948 -2.845 1.00 0.00 C ATOM 448 O ALA B 416 -8.769 -5.304 -2.328 1.00 0.00 O ATOM 449 CB ALA B 416 -8.538 -7.654 -4.604 1.00 0.00 C ATOM 0 H ALA B 416 -9.874 -8.309 -2.651 1.00 0.00 H new ATOM 0 HA ALA B 416 -7.070 -7.913 -3.086 1.00 0.00 H new ATOM 0 HB1 ALA B 416 -7.829 -7.216 -5.306 1.00 0.00 H new ATOM 0 HB2 ALA B 416 -8.625 -8.723 -4.796 1.00 0.00 H new ATOM 0 HB3 ALA B 416 -9.512 -7.182 -4.730 1.00 0.00 H new ATOM 455 N GLN B 417 -6.671 -5.449 -3.160 1.00 0.00 N ATOM 456 CA GLN B 417 -6.354 -4.054 -2.905 1.00 0.00 C ATOM 457 C GLN B 417 -5.949 -3.356 -4.205 1.00 0.00 C ATOM 458 O GLN B 417 -5.656 -2.162 -4.207 1.00 0.00 O ATOM 459 CB GLN B 417 -5.256 -3.926 -1.848 1.00 0.00 C ATOM 460 CG GLN B 417 -5.332 -5.071 -0.836 1.00 0.00 C ATOM 461 CD GLN B 417 -4.409 -4.811 0.356 1.00 0.00 C ATOM 462 OE1 GLN B 417 -4.560 -3.852 1.094 1.00 0.00 O ATOM 463 NE2 GLN B 417 -3.446 -5.717 0.502 1.00 0.00 N ATOM 0 H GLN B 417 -5.918 -5.986 -3.589 1.00 0.00 H new ATOM 0 HA GLN B 417 -7.246 -3.564 -2.515 1.00 0.00 H new ATOM 0 HB2 GLN B 417 -4.279 -3.928 -2.331 1.00 0.00 H new ATOM 0 HB3 GLN B 417 -5.354 -2.972 -1.331 1.00 0.00 H new ATOM 0 HG2 GLN B 417 -6.358 -5.186 -0.488 1.00 0.00 H new ATOM 0 HG3 GLN B 417 -5.053 -6.007 -1.319 1.00 0.00 H new ATOM 0 HE21 GLN B 417 -3.376 -6.497 -0.152 1.00 0.00 H new ATOM 0 HE22 GLN B 417 -2.778 -5.632 1.268 1.00 0.00 H new ATOM 472 N HIS B 418 -5.946 -4.132 -5.280 1.00 0.00 N ATOM 473 CA HIS B 418 -5.582 -3.602 -6.583 1.00 0.00 C ATOM 474 C HIS B 418 -6.455 -4.248 -7.661 1.00 0.00 C ATOM 475 O HIS B 418 -7.160 -5.220 -7.394 1.00 0.00 O ATOM 476 CB HIS B 418 -4.085 -3.784 -6.845 1.00 0.00 C ATOM 477 CG HIS B 418 -3.198 -3.020 -5.891 1.00 0.00 C ATOM 478 ND1 HIS B 418 -2.647 -1.789 -6.203 1.00 0.00 N ATOM 479 CD2 HIS B 418 -2.773 -3.324 -4.631 1.00 0.00 C ATOM 480 CE1 HIS B 418 -1.924 -1.381 -5.170 1.00 0.00 C ATOM 481 NE2 HIS B 418 -2.003 -2.334 -4.197 1.00 0.00 N ATOM 0 H HIS B 418 -6.190 -5.122 -5.275 1.00 0.00 H new ATOM 0 HA HIS B 418 -5.768 -2.528 -6.608 1.00 0.00 H new ATOM 0 HB2 HIS B 418 -3.842 -4.845 -6.781 1.00 0.00 H new ATOM 0 HB3 HIS B 418 -3.864 -3.467 -7.864 1.00 0.00 H new ATOM 0 HD2 HIS B 418 -3.021 -4.219 -4.080 1.00 0.00 H new ATOM 0 HE1 HIS B 418 -1.369 -0.456 -5.109 1.00 0.00 H new ATOM 0 HE2 HIS B 418 -1.546 -2.292 -3.286 1.00 0.00 H new ATOM 489 N ASP B 419 -6.378 -3.682 -8.856 1.00 0.00 N ATOM 490 CA ASP B 419 -7.152 -4.190 -9.976 1.00 0.00 C ATOM 491 C ASP B 419 -6.209 -4.842 -10.989 1.00 0.00 C ATOM 492 O ASP B 419 -5.531 -4.150 -11.746 1.00 0.00 O ATOM 493 CB ASP B 419 -7.901 -3.061 -10.686 1.00 0.00 C ATOM 494 CG ASP B 419 -8.561 -3.454 -12.009 1.00 0.00 C ATOM 495 OD1 ASP B 419 -8.498 -4.659 -12.339 1.00 0.00 O ATOM 496 OD2 ASP B 419 -9.114 -2.542 -12.661 1.00 0.00 O ATOM 0 H ASP B 419 -5.791 -2.876 -9.073 1.00 0.00 H new ATOM 0 HA ASP B 419 -7.871 -4.911 -9.588 1.00 0.00 H new ATOM 0 HB2 ASP B 419 -8.669 -2.676 -10.015 1.00 0.00 H new ATOM 0 HB3 ASP B 419 -7.204 -2.245 -10.874 1.00 0.00 H new ATOM 501 N TYR B 420 -6.195 -6.167 -10.969 1.00 0.00 N ATOM 502 CA TYR B 420 -5.345 -6.920 -11.876 1.00 0.00 C ATOM 503 C TYR B 420 -6.183 -7.759 -12.843 1.00 0.00 C ATOM 504 O TYR B 420 -6.817 -8.732 -12.438 1.00 0.00 O ATOM 505 CB TYR B 420 -4.515 -7.856 -10.996 1.00 0.00 C ATOM 506 CG TYR B 420 -4.114 -9.164 -11.682 1.00 0.00 C ATOM 507 CD1 TYR B 420 -3.120 -9.164 -12.639 1.00 0.00 C ATOM 508 CD2 TYR B 420 -4.748 -10.342 -11.344 1.00 0.00 C ATOM 509 CE1 TYR B 420 -2.744 -10.395 -13.285 1.00 0.00 C ATOM 510 CE2 TYR B 420 -4.371 -11.573 -11.990 1.00 0.00 C ATOM 511 CZ TYR B 420 -3.387 -11.539 -12.929 1.00 0.00 C ATOM 512 OH TYR B 420 -3.032 -12.701 -13.539 1.00 0.00 O ATOM 0 H TYR B 420 -6.758 -6.738 -10.339 1.00 0.00 H new ATOM 0 HA TYR B 420 -4.727 -6.247 -12.471 1.00 0.00 H new ATOM 0 HB2 TYR B 420 -3.613 -7.333 -10.678 1.00 0.00 H new ATOM 0 HB3 TYR B 420 -5.083 -8.089 -10.095 1.00 0.00 H new ATOM 0 HD1 TYR B 420 -2.624 -8.242 -12.903 1.00 0.00 H new ATOM 0 HD2 TYR B 420 -5.527 -10.341 -10.595 1.00 0.00 H new ATOM 0 HE1 TYR B 420 -1.968 -10.409 -14.036 1.00 0.00 H new ATOM 0 HE2 TYR B 420 -4.859 -12.502 -11.735 1.00 0.00 H new ATOM 0 HH TYR B 420 -2.351 -13.158 -13.002 1.00 0.00 H new ATOM 522 N THR B 421 -6.158 -7.351 -14.103 1.00 0.00 N ATOM 523 CA THR B 421 -6.907 -8.054 -15.132 1.00 0.00 C ATOM 524 C THR B 421 -6.125 -9.275 -15.621 1.00 0.00 C ATOM 525 O THR B 421 -5.059 -9.135 -16.218 1.00 0.00 O ATOM 526 CB THR B 421 -7.232 -7.056 -16.245 1.00 0.00 C ATOM 527 OG1 THR B 421 -8.405 -6.391 -15.783 1.00 0.00 O ATOM 528 CG2 THR B 421 -7.678 -7.744 -17.536 1.00 0.00 C ATOM 0 H THR B 421 -5.631 -6.543 -14.435 1.00 0.00 H new ATOM 0 HA THR B 421 -7.846 -8.444 -14.740 1.00 0.00 H new ATOM 0 HB THR B 421 -6.356 -6.439 -16.446 1.00 0.00 H new ATOM 0 HG1 THR B 421 -8.685 -5.724 -16.444 1.00 0.00 H new ATOM 0 HG21 THR B 421 -7.896 -6.991 -18.293 1.00 0.00 H new ATOM 0 HG22 THR B 421 -6.882 -8.398 -17.893 1.00 0.00 H new ATOM 0 HG23 THR B 421 -8.574 -8.335 -17.343 1.00 0.00 H new ATOM 536 N ALA B 422 -6.685 -10.444 -15.348 1.00 0.00 N ATOM 537 CA ALA B 422 -6.054 -11.689 -15.753 1.00 0.00 C ATOM 538 C ALA B 422 -6.868 -12.326 -16.880 1.00 0.00 C ATOM 539 O ALA B 422 -8.030 -12.682 -16.687 1.00 0.00 O ATOM 540 CB ALA B 422 -5.917 -12.610 -14.539 1.00 0.00 C ATOM 0 H ALA B 422 -7.569 -10.556 -14.851 1.00 0.00 H new ATOM 0 HA ALA B 422 -5.051 -11.504 -16.136 1.00 0.00 H new ATOM 0 HB1 ALA B 422 -5.444 -13.544 -14.842 1.00 0.00 H new ATOM 0 HB2 ALA B 422 -5.305 -12.123 -13.780 1.00 0.00 H new ATOM 0 HB3 ALA B 422 -6.905 -12.820 -14.129 1.00 0.00 H new ATOM 546 N THR B 423 -6.227 -12.451 -18.033 1.00 0.00 N ATOM 547 CA THR B 423 -6.878 -13.039 -19.191 1.00 0.00 C ATOM 548 C THR B 423 -6.163 -14.325 -19.610 1.00 0.00 C ATOM 549 O THR B 423 -5.207 -14.285 -20.383 1.00 0.00 O ATOM 550 CB THR B 423 -6.923 -11.982 -20.296 1.00 0.00 C ATOM 551 OG1 THR B 423 -5.551 -11.712 -20.574 1.00 0.00 O ATOM 552 CG2 THR B 423 -7.473 -10.642 -19.802 1.00 0.00 C ATOM 0 H THR B 423 -5.264 -12.155 -18.190 1.00 0.00 H new ATOM 0 HA THR B 423 -7.902 -13.334 -18.961 1.00 0.00 H new ATOM 0 HB THR B 423 -7.536 -12.345 -21.121 1.00 0.00 H new ATOM 0 HG1 THR B 423 -5.096 -12.545 -20.818 1.00 0.00 H new ATOM 0 HG21 THR B 423 -7.484 -9.927 -20.625 1.00 0.00 H new ATOM 0 HG22 THR B 423 -8.488 -10.781 -19.429 1.00 0.00 H new ATOM 0 HG23 THR B 423 -6.840 -10.262 -19.000 1.00 0.00 H new ATOM 560 N ASP B 424 -6.654 -15.436 -19.081 1.00 0.00 N ATOM 561 CA ASP B 424 -6.073 -16.732 -19.389 1.00 0.00 C ATOM 562 C ASP B 424 -7.186 -17.778 -19.473 1.00 0.00 C ATOM 563 O ASP B 424 -8.367 -17.442 -19.390 1.00 0.00 O ATOM 564 CB ASP B 424 -5.094 -17.170 -18.298 1.00 0.00 C ATOM 565 CG ASP B 424 -3.913 -18.010 -18.789 1.00 0.00 C ATOM 566 OD1 ASP B 424 -2.988 -17.402 -19.370 1.00 0.00 O ATOM 567 OD2 ASP B 424 -3.961 -19.239 -18.571 1.00 0.00 O ATOM 0 H ASP B 424 -7.448 -15.466 -18.441 1.00 0.00 H new ATOM 0 HA ASP B 424 -5.542 -16.647 -20.337 1.00 0.00 H new ATOM 0 HB2 ASP B 424 -4.706 -16.281 -17.800 1.00 0.00 H new ATOM 0 HB3 ASP B 424 -5.641 -17.742 -17.548 1.00 0.00 H new ATOM 572 N THR B 425 -6.771 -19.026 -19.638 1.00 0.00 N ATOM 573 CA THR B 425 -7.719 -20.123 -19.734 1.00 0.00 C ATOM 574 C THR B 425 -7.979 -20.725 -18.351 1.00 0.00 C ATOM 575 O THR B 425 -8.647 -21.751 -18.233 1.00 0.00 O ATOM 576 CB THR B 425 -7.171 -21.134 -20.743 1.00 0.00 C ATOM 577 OG1 THR B 425 -8.285 -21.974 -21.033 1.00 0.00 O ATOM 578 CG2 THR B 425 -6.141 -22.080 -20.124 1.00 0.00 C ATOM 0 H THR B 425 -5.791 -19.301 -19.708 1.00 0.00 H new ATOM 0 HA THR B 425 -8.689 -19.778 -20.092 1.00 0.00 H new ATOM 0 HB THR B 425 -6.718 -20.602 -21.580 1.00 0.00 H new ATOM 0 HG1 THR B 425 -8.795 -22.137 -20.212 1.00 0.00 H new ATOM 0 HG21 THR B 425 -5.785 -22.777 -20.883 1.00 0.00 H new ATOM 0 HG22 THR B 425 -5.301 -21.502 -19.739 1.00 0.00 H new ATOM 0 HG23 THR B 425 -6.602 -22.637 -19.308 1.00 0.00 H new ATOM 586 N ASP B 426 -7.437 -20.062 -17.341 1.00 0.00 N ATOM 587 CA ASP B 426 -7.601 -20.520 -15.971 1.00 0.00 C ATOM 588 C ASP B 426 -6.921 -19.531 -15.023 1.00 0.00 C ATOM 589 O ASP B 426 -6.009 -19.900 -14.285 1.00 0.00 O ATOM 590 CB ASP B 426 -6.954 -21.891 -15.768 1.00 0.00 C ATOM 591 CG ASP B 426 -7.506 -22.698 -14.591 1.00 0.00 C ATOM 592 OD1 ASP B 426 -7.046 -22.437 -13.459 1.00 0.00 O ATOM 593 OD2 ASP B 426 -8.375 -23.558 -14.850 1.00 0.00 O ATOM 0 H ASP B 426 -6.884 -19.211 -17.443 1.00 0.00 H new ATOM 0 HA ASP B 426 -8.669 -20.591 -15.764 1.00 0.00 H new ATOM 0 HB2 ASP B 426 -7.080 -22.474 -16.680 1.00 0.00 H new ATOM 0 HB3 ASP B 426 -5.882 -21.753 -15.624 1.00 0.00 H new ATOM 598 N GLU B 427 -7.391 -18.293 -15.073 1.00 0.00 N ATOM 599 CA GLU B 427 -6.840 -17.248 -14.227 1.00 0.00 C ATOM 600 C GLU B 427 -7.922 -16.690 -13.300 1.00 0.00 C ATOM 601 O GLU B 427 -9.099 -17.015 -13.448 1.00 0.00 O ATOM 602 CB GLU B 427 -6.211 -16.136 -15.068 1.00 0.00 C ATOM 603 CG GLU B 427 -7.166 -15.675 -16.171 1.00 0.00 C ATOM 604 CD GLU B 427 -8.532 -15.302 -15.591 1.00 0.00 C ATOM 605 OE1 GLU B 427 -8.540 -14.531 -14.607 1.00 0.00 O ATOM 606 OE2 GLU B 427 -9.538 -15.794 -16.146 1.00 0.00 O ATOM 0 H GLU B 427 -8.148 -17.990 -15.687 1.00 0.00 H new ATOM 0 HA GLU B 427 -6.052 -17.683 -13.613 1.00 0.00 H new ATOM 0 HB2 GLU B 427 -5.955 -15.292 -14.428 1.00 0.00 H new ATOM 0 HB3 GLU B 427 -5.282 -16.493 -15.512 1.00 0.00 H new ATOM 0 HG2 GLU B 427 -6.740 -14.816 -16.690 1.00 0.00 H new ATOM 0 HG3 GLU B 427 -7.284 -16.468 -16.910 1.00 0.00 H new ATOM 613 N LEU B 428 -7.484 -15.859 -12.366 1.00 0.00 N ATOM 614 CA LEU B 428 -8.400 -15.252 -11.415 1.00 0.00 C ATOM 615 C LEU B 428 -8.285 -13.729 -11.504 1.00 0.00 C ATOM 616 O LEU B 428 -7.249 -13.160 -11.163 1.00 0.00 O ATOM 617 CB LEU B 428 -8.159 -15.806 -10.010 1.00 0.00 C ATOM 618 CG LEU B 428 -9.364 -15.793 -9.067 1.00 0.00 C ATOM 619 CD1 LEU B 428 -10.344 -16.915 -9.414 1.00 0.00 C ATOM 620 CD2 LEU B 428 -8.918 -15.853 -7.605 1.00 0.00 C ATOM 0 H LEU B 428 -6.507 -15.592 -12.247 1.00 0.00 H new ATOM 0 HA LEU B 428 -9.430 -15.509 -11.661 1.00 0.00 H new ATOM 0 HB2 LEU B 428 -7.806 -16.833 -10.102 1.00 0.00 H new ATOM 0 HB3 LEU B 428 -7.355 -15.233 -9.548 1.00 0.00 H new ATOM 0 HG LEU B 428 -9.893 -14.850 -9.203 1.00 0.00 H new ATOM 0 HD11 LEU B 428 -11.191 -16.883 -8.729 1.00 0.00 H new ATOM 0 HD12 LEU B 428 -10.699 -16.785 -10.436 1.00 0.00 H new ATOM 0 HD13 LEU B 428 -9.841 -17.878 -9.325 1.00 0.00 H new ATOM 0 HD21 LEU B 428 -9.794 -15.842 -6.957 1.00 0.00 H new ATOM 0 HD22 LEU B 428 -8.352 -16.769 -7.435 1.00 0.00 H new ATOM 0 HD23 LEU B 428 -8.290 -14.991 -7.380 1.00 0.00 H new ATOM 632 N GLN B 429 -9.364 -13.111 -11.963 1.00 0.00 N ATOM 633 CA GLN B 429 -9.397 -11.665 -12.099 1.00 0.00 C ATOM 634 C GLN B 429 -9.688 -11.012 -10.746 1.00 0.00 C ATOM 635 O GLN B 429 -10.578 -11.451 -10.019 1.00 0.00 O ATOM 636 CB GLN B 429 -10.426 -11.237 -13.147 1.00 0.00 C ATOM 637 CG GLN B 429 -10.102 -9.847 -13.698 1.00 0.00 C ATOM 638 CD GLN B 429 -10.688 -9.661 -15.099 1.00 0.00 C ATOM 639 OE1 GLN B 429 -11.562 -8.841 -15.330 1.00 0.00 O ATOM 640 NE2 GLN B 429 -10.161 -10.466 -16.017 1.00 0.00 N ATOM 0 H GLN B 429 -10.222 -13.586 -12.245 1.00 0.00 H new ATOM 0 HA GLN B 429 -8.418 -11.328 -12.440 1.00 0.00 H new ATOM 0 HB2 GLN B 429 -10.443 -11.960 -13.962 1.00 0.00 H new ATOM 0 HB3 GLN B 429 -11.422 -11.233 -12.704 1.00 0.00 H new ATOM 0 HG2 GLN B 429 -10.501 -9.085 -13.029 1.00 0.00 H new ATOM 0 HG3 GLN B 429 -9.021 -9.708 -13.731 1.00 0.00 H new ATOM 0 HE21 GLN B 429 -9.432 -11.130 -15.755 1.00 0.00 H new ATOM 0 HE22 GLN B 429 -10.486 -10.420 -16.983 1.00 0.00 H new ATOM 649 N LEU B 430 -8.921 -9.973 -10.450 1.00 0.00 N ATOM 650 CA LEU B 430 -9.086 -9.254 -9.198 1.00 0.00 C ATOM 651 C LEU B 430 -9.277 -7.764 -9.491 1.00 0.00 C ATOM 652 O LEU B 430 -8.601 -7.206 -10.354 1.00 0.00 O ATOM 653 CB LEU B 430 -7.919 -9.550 -8.253 1.00 0.00 C ATOM 654 CG LEU B 430 -7.978 -10.888 -7.514 1.00 0.00 C ATOM 655 CD1 LEU B 430 -9.074 -10.877 -6.446 1.00 0.00 C ATOM 656 CD2 LEU B 430 -8.145 -12.050 -8.495 1.00 0.00 C ATOM 0 H LEU B 430 -8.184 -9.612 -11.055 1.00 0.00 H new ATOM 0 HA LEU B 430 -9.982 -9.594 -8.679 1.00 0.00 H new ATOM 0 HB2 LEU B 430 -6.994 -9.516 -8.828 1.00 0.00 H new ATOM 0 HB3 LEU B 430 -7.864 -8.751 -7.514 1.00 0.00 H new ATOM 0 HG LEU B 430 -7.029 -11.036 -6.999 1.00 0.00 H new ATOM 0 HD11 LEU B 430 -9.094 -11.840 -5.936 1.00 0.00 H new ATOM 0 HD12 LEU B 430 -8.869 -10.087 -5.723 1.00 0.00 H new ATOM 0 HD13 LEU B 430 -10.040 -10.696 -6.918 1.00 0.00 H new ATOM 0 HD21 LEU B 430 -8.184 -12.989 -7.943 1.00 0.00 H new ATOM 0 HD22 LEU B 430 -9.070 -11.921 -9.058 1.00 0.00 H new ATOM 0 HD23 LEU B 430 -7.301 -12.069 -9.184 1.00 0.00 H new ATOM 668 N LYS B 431 -10.201 -7.163 -8.756 1.00 0.00 N ATOM 669 CA LYS B 431 -10.489 -5.749 -8.926 1.00 0.00 C ATOM 670 C LYS B 431 -10.289 -5.029 -7.591 1.00 0.00 C ATOM 671 O LYS B 431 -10.889 -5.403 -6.584 1.00 0.00 O ATOM 672 CB LYS B 431 -11.882 -5.554 -9.528 1.00 0.00 C ATOM 673 CG LYS B 431 -12.971 -5.944 -8.527 1.00 0.00 C ATOM 674 CD LYS B 431 -13.969 -6.919 -9.155 1.00 0.00 C ATOM 675 CE LYS B 431 -14.914 -7.494 -8.097 1.00 0.00 C ATOM 676 NZ LYS B 431 -16.276 -6.938 -8.262 1.00 0.00 N ATOM 0 H LYS B 431 -10.760 -7.629 -8.041 1.00 0.00 H new ATOM 0 HA LYS B 431 -9.795 -5.301 -9.637 1.00 0.00 H new ATOM 0 HB2 LYS B 431 -12.011 -4.513 -9.825 1.00 0.00 H new ATOM 0 HB3 LYS B 431 -11.980 -6.157 -10.431 1.00 0.00 H new ATOM 0 HG2 LYS B 431 -12.516 -6.400 -7.648 1.00 0.00 H new ATOM 0 HG3 LYS B 431 -13.495 -5.050 -8.187 1.00 0.00 H new ATOM 0 HD2 LYS B 431 -14.547 -6.408 -9.925 1.00 0.00 H new ATOM 0 HD3 LYS B 431 -13.431 -7.730 -9.646 1.00 0.00 H new ATOM 0 HE2 LYS B 431 -14.946 -8.580 -8.181 1.00 0.00 H new ATOM 0 HE3 LYS B 431 -14.538 -7.262 -7.100 1.00 0.00 H new ATOM 0 HZ1 LYS B 431 -16.905 -7.338 -7.537 1.00 0.00 H new ATOM 0 HZ2 LYS B 431 -16.243 -5.904 -8.159 1.00 0.00 H new ATOM 0 HZ3 LYS B 431 -16.638 -7.181 -9.206 1.00 0.00 H new ATOM 690 N ALA B 432 -9.445 -4.008 -7.626 1.00 0.00 N ATOM 691 CA ALA B 432 -9.159 -3.232 -6.431 1.00 0.00 C ATOM 692 C ALA B 432 -10.416 -3.161 -5.562 1.00 0.00 C ATOM 693 O ALA B 432 -11.307 -2.352 -5.817 1.00 0.00 O ATOM 694 CB ALA B 432 -8.649 -1.847 -6.832 1.00 0.00 C ATOM 0 H ALA B 432 -8.950 -3.700 -8.463 1.00 0.00 H new ATOM 0 HA ALA B 432 -8.377 -3.709 -5.841 1.00 0.00 H new ATOM 0 HB1 ALA B 432 -8.434 -1.265 -5.936 1.00 0.00 H new ATOM 0 HB2 ALA B 432 -7.739 -1.951 -7.423 1.00 0.00 H new ATOM 0 HB3 ALA B 432 -9.409 -1.336 -7.423 1.00 0.00 H new ATOM 700 N GLY B 433 -10.448 -4.019 -4.553 1.00 0.00 N ATOM 701 CA GLY B 433 -11.581 -4.063 -3.643 1.00 0.00 C ATOM 702 C GLY B 433 -12.511 -5.230 -3.982 1.00 0.00 C ATOM 703 O GLY B 433 -13.727 -5.060 -4.050 1.00 0.00 O ATOM 0 H GLY B 433 -9.708 -4.689 -4.345 1.00 0.00 H new ATOM 0 HA2 GLY B 433 -11.225 -4.163 -2.618 1.00 0.00 H new ATOM 0 HA3 GLY B 433 -12.133 -3.125 -3.699 1.00 0.00 H new ATOM 707 N ASP B 434 -11.903 -6.390 -4.185 1.00 0.00 N ATOM 708 CA ASP B 434 -12.661 -7.584 -4.516 1.00 0.00 C ATOM 709 C ASP B 434 -12.624 -8.551 -3.331 1.00 0.00 C ATOM 710 O ASP B 434 -11.858 -8.355 -2.389 1.00 0.00 O ATOM 711 CB ASP B 434 -12.061 -8.299 -5.729 1.00 0.00 C ATOM 712 CG ASP B 434 -13.061 -9.092 -6.572 1.00 0.00 C ATOM 713 OD1 ASP B 434 -14.017 -9.624 -5.968 1.00 0.00 O ATOM 714 OD2 ASP B 434 -12.847 -9.148 -7.803 1.00 0.00 O ATOM 0 H ASP B 434 -10.894 -6.528 -4.127 1.00 0.00 H new ATOM 0 HA ASP B 434 -13.683 -7.282 -4.745 1.00 0.00 H new ATOM 0 HB2 ASP B 434 -11.578 -7.558 -6.366 1.00 0.00 H new ATOM 0 HB3 ASP B 434 -11.282 -8.978 -5.383 1.00 0.00 H new ATOM 719 N VAL B 435 -13.461 -9.575 -3.418 1.00 0.00 N ATOM 720 CA VAL B 435 -13.534 -10.573 -2.364 1.00 0.00 C ATOM 721 C VAL B 435 -13.164 -11.942 -2.939 1.00 0.00 C ATOM 722 O VAL B 435 -13.870 -12.470 -3.796 1.00 0.00 O ATOM 723 CB VAL B 435 -14.920 -10.550 -1.717 1.00 0.00 C ATOM 724 CG1 VAL B 435 -14.958 -9.576 -0.537 1.00 0.00 C ATOM 725 CG2 VAL B 435 -16.000 -10.209 -2.745 1.00 0.00 C ATOM 0 H VAL B 435 -14.094 -9.735 -4.202 1.00 0.00 H new ATOM 0 HA VAL B 435 -12.818 -10.348 -1.573 1.00 0.00 H new ATOM 0 HB VAL B 435 -15.127 -11.549 -1.334 1.00 0.00 H new ATOM 0 HG11 VAL B 435 -15.954 -9.579 -0.095 1.00 0.00 H new ATOM 0 HG12 VAL B 435 -14.228 -9.883 0.212 1.00 0.00 H new ATOM 0 HG13 VAL B 435 -14.719 -8.572 -0.886 1.00 0.00 H new ATOM 0 HG21 VAL B 435 -16.975 -10.199 -2.258 1.00 0.00 H new ATOM 0 HG22 VAL B 435 -15.798 -9.227 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL B 435 -15.997 -10.957 -3.538 1.00 0.00 H new ATOM 735 N VAL B 436 -12.059 -12.478 -2.443 1.00 0.00 N ATOM 736 CA VAL B 436 -11.588 -13.776 -2.895 1.00 0.00 C ATOM 737 C VAL B 436 -11.350 -14.678 -1.682 1.00 0.00 C ATOM 738 O VAL B 436 -10.894 -14.213 -0.639 1.00 0.00 O ATOM 739 CB VAL B 436 -10.343 -13.606 -3.767 1.00 0.00 C ATOM 740 CG1 VAL B 436 -9.552 -14.912 -3.855 1.00 0.00 C ATOM 741 CG2 VAL B 436 -10.715 -13.096 -5.161 1.00 0.00 C ATOM 0 H VAL B 436 -11.476 -12.037 -1.732 1.00 0.00 H new ATOM 0 HA VAL B 436 -12.341 -14.260 -3.517 1.00 0.00 H new ATOM 0 HB VAL B 436 -9.704 -12.859 -3.296 1.00 0.00 H new ATOM 0 HG11 VAL B 436 -8.672 -14.763 -4.481 1.00 0.00 H new ATOM 0 HG12 VAL B 436 -9.239 -15.216 -2.856 1.00 0.00 H new ATOM 0 HG13 VAL B 436 -10.180 -15.689 -4.291 1.00 0.00 H new ATOM 0 HG21 VAL B 436 -9.812 -12.984 -5.760 1.00 0.00 H new ATOM 0 HG22 VAL B 436 -11.384 -13.809 -5.643 1.00 0.00 H new ATOM 0 HG23 VAL B 436 -11.215 -12.131 -5.074 1.00 0.00 H new ATOM 751 N LEU B 437 -11.668 -15.951 -1.861 1.00 0.00 N ATOM 752 CA LEU B 437 -11.496 -16.923 -0.794 1.00 0.00 C ATOM 753 C LEU B 437 -10.317 -17.839 -1.130 1.00 0.00 C ATOM 754 O LEU B 437 -10.215 -18.339 -2.250 1.00 0.00 O ATOM 755 CB LEU B 437 -12.804 -17.673 -0.535 1.00 0.00 C ATOM 756 CG LEU B 437 -13.902 -17.488 -1.585 1.00 0.00 C ATOM 757 CD1 LEU B 437 -14.986 -18.558 -1.438 1.00 0.00 C ATOM 758 CD2 LEU B 437 -14.481 -16.073 -1.528 1.00 0.00 C ATOM 0 H LEU B 437 -12.044 -16.333 -2.729 1.00 0.00 H new ATOM 0 HA LEU B 437 -11.254 -16.421 0.143 1.00 0.00 H new ATOM 0 HB2 LEU B 437 -12.580 -18.737 -0.456 1.00 0.00 H new ATOM 0 HB3 LEU B 437 -13.196 -17.357 0.432 1.00 0.00 H new ATOM 0 HG LEU B 437 -13.457 -17.614 -2.572 1.00 0.00 H new ATOM 0 HD11 LEU B 437 -15.754 -18.404 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU B 437 -14.542 -19.545 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU B 437 -15.435 -18.488 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU B 437 -15.259 -15.968 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU B 437 -14.907 -15.894 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU B 437 -13.690 -15.348 -1.718 1.00 0.00 H new ATOM 770 N VAL B 438 -9.458 -18.032 -0.141 1.00 0.00 N ATOM 771 CA VAL B 438 -8.291 -18.879 -0.318 1.00 0.00 C ATOM 772 C VAL B 438 -8.691 -20.341 -0.109 1.00 0.00 C ATOM 773 O VAL B 438 -9.037 -20.741 1.002 1.00 0.00 O ATOM 774 CB VAL B 438 -7.169 -18.427 0.619 1.00 0.00 C ATOM 775 CG1 VAL B 438 -6.176 -19.563 0.873 1.00 0.00 C ATOM 776 CG2 VAL B 438 -6.458 -17.191 0.066 1.00 0.00 C ATOM 0 H VAL B 438 -9.547 -17.616 0.786 1.00 0.00 H new ATOM 0 HA VAL B 438 -7.905 -18.789 -1.333 1.00 0.00 H new ATOM 0 HB VAL B 438 -7.619 -18.155 1.574 1.00 0.00 H new ATOM 0 HG11 VAL B 438 -5.389 -19.215 1.542 1.00 0.00 H new ATOM 0 HG12 VAL B 438 -6.696 -20.405 1.331 1.00 0.00 H new ATOM 0 HG13 VAL B 438 -5.735 -19.879 -0.072 1.00 0.00 H new ATOM 0 HG21 VAL B 438 -5.665 -16.890 0.751 1.00 0.00 H new ATOM 0 HG22 VAL B 438 -6.027 -17.424 -0.908 1.00 0.00 H new ATOM 0 HG23 VAL B 438 -7.174 -16.376 -0.040 1.00 0.00 H new ATOM 786 N ILE B 439 -8.632 -21.099 -1.194 1.00 0.00 N ATOM 787 CA ILE B 439 -8.984 -22.508 -1.143 1.00 0.00 C ATOM 788 C ILE B 439 -7.765 -23.348 -1.530 1.00 0.00 C ATOM 789 O ILE B 439 -6.913 -22.897 -2.294 1.00 0.00 O ATOM 790 CB ILE B 439 -10.218 -22.783 -2.004 1.00 0.00 C ATOM 791 CG1 ILE B 439 -9.892 -22.638 -3.492 1.00 0.00 C ATOM 792 CG2 ILE B 439 -11.389 -21.891 -1.585 1.00 0.00 C ATOM 793 CD1 ILE B 439 -10.221 -21.230 -3.992 1.00 0.00 C ATOM 0 H ILE B 439 -8.346 -20.764 -2.114 1.00 0.00 H new ATOM 0 HA ILE B 439 -9.261 -22.795 -0.129 1.00 0.00 H new ATOM 0 HB ILE B 439 -10.525 -23.816 -1.840 1.00 0.00 H new ATOM 0 HG12 ILE B 439 -8.836 -22.849 -3.659 1.00 0.00 H new ATOM 0 HG13 ILE B 439 -10.458 -23.372 -4.065 1.00 0.00 H new ATOM 0 HG21 ILE B 439 -12.253 -22.107 -2.213 1.00 0.00 H new ATOM 0 HG22 ILE B 439 -11.640 -22.086 -0.542 1.00 0.00 H new ATOM 0 HG23 ILE B 439 -11.109 -20.844 -1.701 1.00 0.00 H new ATOM 0 HD11 ILE B 439 -9.980 -21.155 -5.052 1.00 0.00 H new ATOM 0 HD12 ILE B 439 -11.283 -21.031 -3.847 1.00 0.00 H new ATOM 0 HD13 ILE B 439 -9.635 -20.500 -3.434 1.00 0.00 H new ATOM 805 N PRO B 440 -7.719 -24.586 -0.970 1.00 0.00 N ATOM 806 CA PRO B 440 -6.619 -25.493 -1.249 1.00 0.00 C ATOM 807 C PRO B 440 -6.744 -26.094 -2.650 1.00 0.00 C ATOM 808 O PRO B 440 -7.701 -26.811 -2.939 1.00 0.00 O ATOM 809 CB PRO B 440 -6.682 -26.539 -0.147 1.00 0.00 C ATOM 810 CG PRO B 440 -8.084 -26.447 0.434 1.00 0.00 C ATOM 811 CD PRO B 440 -8.710 -25.154 -0.061 1.00 0.00 C ATOM 0 HA PRO B 440 -5.651 -24.991 -1.250 1.00 0.00 H new ATOM 0 HB2 PRO B 440 -6.488 -27.536 -0.543 1.00 0.00 H new ATOM 0 HB3 PRO B 440 -5.929 -26.347 0.617 1.00 0.00 H new ATOM 0 HG2 PRO B 440 -8.682 -27.304 0.124 1.00 0.00 H new ATOM 0 HG3 PRO B 440 -8.047 -26.461 1.523 1.00 0.00 H new ATOM 0 HD2 PRO B 440 -9.654 -25.342 -0.572 1.00 0.00 H new ATOM 0 HD3 PRO B 440 -8.924 -24.476 0.765 1.00 0.00 H new ATOM 819 N PHE B 441 -5.764 -25.778 -3.484 1.00 0.00 N ATOM 820 CA PHE B 441 -5.753 -26.277 -4.849 1.00 0.00 C ATOM 821 C PHE B 441 -5.792 -27.807 -4.874 1.00 0.00 C ATOM 822 O PHE B 441 -5.789 -28.448 -3.825 1.00 0.00 O ATOM 823 CB PHE B 441 -4.447 -25.801 -5.488 1.00 0.00 C ATOM 824 CG PHE B 441 -3.263 -25.749 -4.521 1.00 0.00 C ATOM 825 CD1 PHE B 441 -3.169 -26.656 -3.512 1.00 0.00 C ATOM 826 CD2 PHE B 441 -2.305 -24.795 -4.669 1.00 0.00 C ATOM 827 CE1 PHE B 441 -2.070 -26.606 -2.613 1.00 0.00 C ATOM 828 CE2 PHE B 441 -1.207 -24.745 -3.771 1.00 0.00 C ATOM 829 CZ PHE B 441 -1.112 -25.652 -2.762 1.00 0.00 C ATOM 0 H PHE B 441 -4.972 -25.183 -3.241 1.00 0.00 H new ATOM 0 HA PHE B 441 -6.627 -25.910 -5.387 1.00 0.00 H new ATOM 0 HB2 PHE B 441 -4.197 -26.464 -6.316 1.00 0.00 H new ATOM 0 HB3 PHE B 441 -4.602 -24.808 -5.910 1.00 0.00 H new ATOM 0 HD1 PHE B 441 -3.929 -27.414 -3.394 1.00 0.00 H new ATOM 0 HD2 PHE B 441 -2.380 -24.075 -5.470 1.00 0.00 H new ATOM 0 HE1 PHE B 441 -1.995 -27.326 -1.811 1.00 0.00 H new ATOM 0 HE2 PHE B 441 -0.447 -23.987 -3.889 1.00 0.00 H new ATOM 0 HZ PHE B 441 -0.276 -25.615 -2.079 1.00 0.00 H new ATOM 931 N ASP B 448 1.462 -21.216 -8.297 1.00 0.00 N ATOM 932 CA ASP B 448 2.505 -20.368 -8.849 1.00 0.00 C ATOM 933 C ASP B 448 3.193 -19.609 -7.713 1.00 0.00 C ATOM 934 O ASP B 448 2.626 -19.453 -6.633 1.00 0.00 O ATOM 935 CB ASP B 448 1.921 -19.339 -9.819 1.00 0.00 C ATOM 936 CG ASP B 448 2.922 -18.310 -10.349 1.00 0.00 C ATOM 937 OD1 ASP B 448 3.891 -18.747 -11.005 1.00 0.00 O ATOM 938 OD2 ASP B 448 2.694 -17.110 -10.084 1.00 0.00 O ATOM 0 HA ASP B 448 3.212 -21.005 -9.381 1.00 0.00 H new ATOM 0 HB2 ASP B 448 1.483 -19.868 -10.666 1.00 0.00 H new ATOM 0 HB3 ASP B 448 1.109 -18.810 -9.319 1.00 0.00 H new ATOM 943 N GLU B 449 4.406 -19.158 -7.995 1.00 0.00 N ATOM 944 CA GLU B 449 5.178 -18.418 -7.011 1.00 0.00 C ATOM 945 C GLU B 449 4.645 -16.990 -6.882 1.00 0.00 C ATOM 946 O GLU B 449 4.775 -16.189 -7.806 1.00 0.00 O ATOM 947 CB GLU B 449 6.666 -18.418 -7.368 1.00 0.00 C ATOM 948 CG GLU B 449 7.503 -19.000 -6.228 1.00 0.00 C ATOM 949 CD GLU B 449 8.261 -17.897 -5.485 1.00 0.00 C ATOM 950 OE1 GLU B 449 7.619 -16.865 -5.196 1.00 0.00 O ATOM 951 OE2 GLU B 449 9.464 -18.112 -5.224 1.00 0.00 O ATOM 0 H GLU B 449 4.874 -19.291 -8.892 1.00 0.00 H new ATOM 0 HA GLU B 449 5.070 -18.914 -6.046 1.00 0.00 H new ATOM 0 HB2 GLU B 449 6.826 -19.000 -8.275 1.00 0.00 H new ATOM 0 HB3 GLU B 449 6.993 -17.400 -7.581 1.00 0.00 H new ATOM 0 HG2 GLU B 449 6.855 -19.533 -5.532 1.00 0.00 H new ATOM 0 HG3 GLU B 449 8.210 -19.727 -6.626 1.00 0.00 H new ATOM 958 N GLY B 450 4.055 -16.715 -5.728 1.00 0.00 N ATOM 959 CA GLY B 450 3.502 -15.397 -5.466 1.00 0.00 C ATOM 960 C GLY B 450 1.998 -15.368 -5.745 1.00 0.00 C ATOM 961 O GLY B 450 1.340 -14.355 -5.513 1.00 0.00 O ATOM 0 H GLY B 450 3.948 -17.382 -4.964 1.00 0.00 H new ATOM 0 HA2 GLY B 450 3.688 -15.120 -4.428 1.00 0.00 H new ATOM 0 HA3 GLY B 450 4.005 -14.657 -6.089 1.00 0.00 H new ATOM 965 N TRP B 451 1.499 -16.491 -6.240 1.00 0.00 N ATOM 966 CA TRP B 451 0.085 -16.607 -6.554 1.00 0.00 C ATOM 967 C TRP B 451 -0.405 -17.960 -6.034 1.00 0.00 C ATOM 968 O TRP B 451 0.322 -18.951 -6.091 1.00 0.00 O ATOM 969 CB TRP B 451 -0.162 -16.417 -8.051 1.00 0.00 C ATOM 970 CG TRP B 451 0.659 -15.288 -8.679 1.00 0.00 C ATOM 971 CD1 TRP B 451 1.977 -15.071 -8.574 1.00 0.00 C ATOM 972 CD2 TRP B 451 0.160 -14.226 -9.518 1.00 0.00 C ATOM 973 NE1 TRP B 451 2.363 -13.950 -9.282 1.00 0.00 N ATOM 974 CE2 TRP B 451 1.222 -13.420 -9.874 1.00 0.00 C ATOM 975 CE3 TRP B 451 -1.146 -13.954 -9.962 1.00 0.00 C ATOM 976 CZ2 TRP B 451 1.088 -12.290 -10.689 1.00 0.00 C ATOM 977 CZ3 TRP B 451 -1.264 -12.821 -10.776 1.00 0.00 C ATOM 978 CH2 TRP B 451 -0.204 -12.000 -11.143 1.00 0.00 C ATOM 0 H TRP B 451 2.049 -17.329 -6.431 1.00 0.00 H new ATOM 0 HA TRP B 451 -0.485 -15.818 -6.063 1.00 0.00 H new ATOM 0 HB2 TRP B 451 0.066 -17.349 -8.568 1.00 0.00 H new ATOM 0 HB3 TRP B 451 -1.221 -16.215 -8.211 1.00 0.00 H new ATOM 0 HD1 TRP B 451 2.652 -15.694 -8.007 1.00 0.00 H new ATOM 0 HE1 TRP B 451 3.310 -13.579 -9.357 1.00 0.00 H new ATOM 0 HE3 TRP B 451 -1.992 -14.571 -9.696 1.00 0.00 H new ATOM 0 HZ2 TRP B 451 1.936 -11.675 -10.953 1.00 0.00 H new ATOM 0 HZ3 TRP B 451 -2.247 -12.567 -11.144 1.00 0.00 H new ATOM 0 HH2 TRP B 451 -0.377 -11.142 -11.776 1.00 0.00 H new ATOM 989 N LEU B 452 -1.634 -17.958 -5.540 1.00 0.00 N ATOM 990 CA LEU B 452 -2.230 -19.174 -5.012 1.00 0.00 C ATOM 991 C LEU B 452 -3.608 -19.378 -5.645 1.00 0.00 C ATOM 992 O LEU B 452 -4.113 -18.496 -6.339 1.00 0.00 O ATOM 993 CB LEU B 452 -2.256 -19.137 -3.483 1.00 0.00 C ATOM 994 CG LEU B 452 -1.561 -17.941 -2.829 1.00 0.00 C ATOM 995 CD1 LEU B 452 -2.118 -17.682 -1.427 1.00 0.00 C ATOM 996 CD2 LEU B 452 -0.043 -18.129 -2.816 1.00 0.00 C ATOM 0 H LEU B 452 -2.234 -17.134 -5.494 1.00 0.00 H new ATOM 0 HA LEU B 452 -1.625 -20.041 -5.277 1.00 0.00 H new ATOM 0 HB2 LEU B 452 -3.296 -19.151 -3.157 1.00 0.00 H new ATOM 0 HB3 LEU B 452 -1.793 -20.050 -3.109 1.00 0.00 H new ATOM 0 HG LEU B 452 -1.771 -17.055 -3.428 1.00 0.00 H new ATOM 0 HD11 LEU B 452 -1.607 -16.827 -0.985 1.00 0.00 H new ATOM 0 HD12 LEU B 452 -3.186 -17.472 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU B 452 -1.959 -18.562 -0.804 1.00 0.00 H new ATOM 0 HD21 LEU B 452 0.427 -17.265 -2.346 1.00 0.00 H new ATOM 0 HD22 LEU B 452 0.207 -19.029 -2.254 1.00 0.00 H new ATOM 0 HD23 LEU B 452 0.320 -18.227 -3.839 1.00 0.00 H new ATOM 1008 N MET B 453 -4.178 -20.545 -5.383 1.00 0.00 N ATOM 1009 CA MET B 453 -5.488 -20.875 -5.918 1.00 0.00 C ATOM 1010 C MET B 453 -6.600 -20.360 -5.002 1.00 0.00 C ATOM 1011 O MET B 453 -6.756 -20.837 -3.880 1.00 0.00 O ATOM 1012 CB MET B 453 -5.611 -22.393 -6.066 1.00 0.00 C ATOM 1013 CG MET B 453 -7.064 -22.804 -6.309 1.00 0.00 C ATOM 1014 SD MET B 453 -7.182 -23.777 -7.801 1.00 0.00 S ATOM 1015 CE MET B 453 -6.423 -22.655 -8.964 1.00 0.00 C ATOM 0 H MET B 453 -3.757 -21.274 -4.807 1.00 0.00 H new ATOM 0 HA MET B 453 -5.594 -20.396 -6.891 1.00 0.00 H new ATOM 0 HB2 MET B 453 -4.990 -22.733 -6.895 1.00 0.00 H new ATOM 0 HB3 MET B 453 -5.237 -22.881 -5.166 1.00 0.00 H new ATOM 0 HG2 MET B 453 -7.435 -23.378 -5.460 1.00 0.00 H new ATOM 0 HG3 MET B 453 -7.692 -21.917 -6.393 1.00 0.00 H new ATOM 0 HE1 MET B 453 -7.193 -22.201 -9.588 1.00 0.00 H new ATOM 0 HE2 MET B 453 -5.889 -21.875 -8.421 1.00 0.00 H new ATOM 0 HE3 MET B 453 -5.722 -23.203 -9.594 1.00 0.00 H new ATOM 1025 N GLY B 454 -7.344 -19.391 -5.516 1.00 0.00 N ATOM 1026 CA GLY B 454 -8.437 -18.805 -4.759 1.00 0.00 C ATOM 1027 C GLY B 454 -9.697 -18.684 -5.618 1.00 0.00 C ATOM 1028 O GLY B 454 -9.674 -19.001 -6.806 1.00 0.00 O ATOM 0 H GLY B 454 -7.211 -18.997 -6.448 1.00 0.00 H new ATOM 0 HA2 GLY B 454 -8.647 -19.419 -3.883 1.00 0.00 H new ATOM 0 HA3 GLY B 454 -8.145 -17.820 -4.395 1.00 0.00 H new ATOM 1032 N VAL B 455 -10.765 -18.224 -4.984 1.00 0.00 N ATOM 1033 CA VAL B 455 -12.031 -18.056 -5.676 1.00 0.00 C ATOM 1034 C VAL B 455 -12.673 -16.736 -5.242 1.00 0.00 C ATOM 1035 O VAL B 455 -12.547 -16.331 -4.087 1.00 0.00 O ATOM 1036 CB VAL B 455 -12.930 -19.268 -5.426 1.00 0.00 C ATOM 1037 CG1 VAL B 455 -13.077 -19.542 -3.927 1.00 0.00 C ATOM 1038 CG2 VAL B 455 -14.298 -19.083 -6.086 1.00 0.00 C ATOM 0 H VAL B 455 -10.780 -17.962 -3.998 1.00 0.00 H new ATOM 0 HA VAL B 455 -11.873 -18.003 -6.753 1.00 0.00 H new ATOM 0 HB VAL B 455 -12.454 -20.137 -5.881 1.00 0.00 H new ATOM 0 HG11 VAL B 455 -13.721 -20.409 -3.777 1.00 0.00 H new ATOM 0 HG12 VAL B 455 -12.096 -19.740 -3.495 1.00 0.00 H new ATOM 0 HG13 VAL B 455 -13.519 -18.673 -3.440 1.00 0.00 H new ATOM 0 HG21 VAL B 455 -14.917 -19.959 -5.892 1.00 0.00 H new ATOM 0 HG22 VAL B 455 -14.784 -18.198 -5.675 1.00 0.00 H new ATOM 0 HG23 VAL B 455 -14.169 -18.960 -7.161 1.00 0.00 H new ATOM 1048 N LYS B 456 -13.347 -16.103 -6.191 1.00 0.00 N ATOM 1049 CA LYS B 456 -14.009 -14.837 -5.921 1.00 0.00 C ATOM 1050 C LYS B 456 -15.317 -15.100 -5.173 1.00 0.00 C ATOM 1051 O LYS B 456 -15.819 -16.224 -5.169 1.00 0.00 O ATOM 1052 CB LYS B 456 -14.189 -14.041 -7.214 1.00 0.00 C ATOM 1053 CG LYS B 456 -13.026 -13.069 -7.427 1.00 0.00 C ATOM 1054 CD LYS B 456 -13.371 -12.024 -8.490 1.00 0.00 C ATOM 1055 CE LYS B 456 -13.649 -12.687 -9.840 1.00 0.00 C ATOM 1056 NZ LYS B 456 -15.093 -12.974 -9.989 1.00 0.00 N ATOM 0 H LYS B 456 -13.449 -16.443 -7.147 1.00 0.00 H new ATOM 0 HA LYS B 456 -13.391 -14.214 -5.274 1.00 0.00 H new ATOM 0 HB2 LYS B 456 -14.255 -14.725 -8.060 1.00 0.00 H new ATOM 0 HB3 LYS B 456 -15.128 -13.488 -7.177 1.00 0.00 H new ATOM 0 HG2 LYS B 456 -12.787 -12.571 -6.487 1.00 0.00 H new ATOM 0 HG3 LYS B 456 -12.137 -13.622 -7.730 1.00 0.00 H new ATOM 0 HD2 LYS B 456 -14.244 -11.453 -8.174 1.00 0.00 H new ATOM 0 HD3 LYS B 456 -12.548 -11.317 -8.591 1.00 0.00 H new ATOM 0 HE2 LYS B 456 -13.317 -12.035 -10.647 1.00 0.00 H new ATOM 0 HE3 LYS B 456 -13.078 -13.612 -9.922 1.00 0.00 H new ATOM 0 HZ1 LYS B 456 -15.230 -13.992 -10.150 1.00 0.00 H new ATOM 0 HZ2 LYS B 456 -15.595 -12.690 -9.123 1.00 0.00 H new ATOM 0 HZ3 LYS B 456 -15.471 -12.442 -10.799 1.00 0.00 H new ATOM 1070 N GLU B 457 -15.833 -14.046 -4.559 1.00 0.00 N ATOM 1071 CA GLU B 457 -17.074 -14.149 -3.810 1.00 0.00 C ATOM 1072 C GLU B 457 -18.210 -14.611 -4.725 1.00 0.00 C ATOM 1073 O GLU B 457 -18.988 -15.490 -4.358 1.00 0.00 O ATOM 1074 CB GLU B 457 -17.419 -12.819 -3.136 1.00 0.00 C ATOM 1075 CG GLU B 457 -18.824 -12.859 -2.532 1.00 0.00 C ATOM 1076 CD GLU B 457 -18.853 -12.173 -1.164 1.00 0.00 C ATOM 1077 OE1 GLU B 457 -18.360 -12.803 -0.203 1.00 0.00 O ATOM 1078 OE2 GLU B 457 -19.367 -11.035 -1.111 1.00 0.00 O ATOM 0 H GLU B 457 -15.414 -13.116 -4.565 1.00 0.00 H new ATOM 0 HA GLU B 457 -16.941 -14.893 -3.025 1.00 0.00 H new ATOM 0 HB2 GLU B 457 -16.690 -12.603 -2.355 1.00 0.00 H new ATOM 0 HB3 GLU B 457 -17.355 -12.011 -3.864 1.00 0.00 H new ATOM 0 HG2 GLU B 457 -19.527 -12.367 -3.204 1.00 0.00 H new ATOM 0 HG3 GLU B 457 -19.151 -13.894 -2.431 1.00 0.00 H new ATOM 1085 N SER B 458 -18.268 -13.998 -5.898 1.00 0.00 N ATOM 1086 CA SER B 458 -19.296 -14.336 -6.868 1.00 0.00 C ATOM 1087 C SER B 458 -19.220 -15.824 -7.214 1.00 0.00 C ATOM 1088 O SER B 458 -20.245 -16.499 -7.298 1.00 0.00 O ATOM 1089 CB SER B 458 -19.158 -13.489 -8.134 1.00 0.00 C ATOM 1090 OG SER B 458 -20.405 -12.936 -8.546 1.00 0.00 O ATOM 0 H SER B 458 -17.620 -13.270 -6.199 1.00 0.00 H new ATOM 0 HA SER B 458 -20.268 -14.122 -6.424 1.00 0.00 H new ATOM 0 HB2 SER B 458 -18.446 -12.683 -7.955 1.00 0.00 H new ATOM 0 HB3 SER B 458 -18.750 -14.102 -8.938 1.00 0.00 H new ATOM 0 HG SER B 458 -20.274 -12.401 -9.356 1.00 0.00 H new ATOM 1096 N ASP B 459 -17.996 -16.293 -7.406 1.00 0.00 N ATOM 1097 CA ASP B 459 -17.772 -17.689 -7.740 1.00 0.00 C ATOM 1098 C ASP B 459 -18.327 -18.572 -6.621 1.00 0.00 C ATOM 1099 O ASP B 459 -18.791 -19.683 -6.874 1.00 0.00 O ATOM 1100 CB ASP B 459 -16.279 -17.989 -7.883 1.00 0.00 C ATOM 1101 CG ASP B 459 -15.662 -17.581 -9.222 1.00 0.00 C ATOM 1102 OD1 ASP B 459 -16.415 -17.016 -10.045 1.00 0.00 O ATOM 1103 OD2 ASP B 459 -14.452 -17.843 -9.393 1.00 0.00 O ATOM 0 H ASP B 459 -17.148 -15.730 -7.337 1.00 0.00 H new ATOM 0 HA ASP B 459 -18.273 -17.893 -8.686 1.00 0.00 H new ATOM 0 HB2 ASP B 459 -15.743 -17.479 -7.083 1.00 0.00 H new ATOM 0 HB3 ASP B 459 -16.123 -19.058 -7.739 1.00 0.00 H new ATOM 1108 N TRP B 460 -18.262 -18.045 -5.407 1.00 0.00 N ATOM 1109 CA TRP B 460 -18.752 -18.772 -4.248 1.00 0.00 C ATOM 1110 C TRP B 460 -20.186 -19.218 -4.541 1.00 0.00 C ATOM 1111 O TRP B 460 -20.540 -20.373 -4.311 1.00 0.00 O ATOM 1112 CB TRP B 460 -18.637 -17.923 -2.980 1.00 0.00 C ATOM 1113 CG TRP B 460 -18.748 -18.726 -1.682 1.00 0.00 C ATOM 1114 CD1 TRP B 460 -19.433 -19.858 -1.468 1.00 0.00 C ATOM 1115 CD2 TRP B 460 -18.125 -18.409 -0.420 1.00 0.00 C ATOM 1116 NE1 TRP B 460 -19.297 -20.292 -0.166 1.00 0.00 N ATOM 1117 CE2 TRP B 460 -18.477 -19.383 0.492 1.00 0.00 C ATOM 1118 CE3 TRP B 460 -17.292 -17.336 -0.060 1.00 0.00 C ATOM 1119 CZ2 TRP B 460 -18.041 -19.381 1.823 1.00 0.00 C ATOM 1120 CZ3 TRP B 460 -16.865 -17.348 1.273 1.00 0.00 C ATOM 1121 CH2 TRP B 460 -17.210 -18.321 2.204 1.00 0.00 C ATOM 0 H TRP B 460 -17.877 -17.123 -5.201 1.00 0.00 H new ATOM 0 HA TRP B 460 -18.144 -19.657 -4.062 1.00 0.00 H new ATOM 0 HB2 TRP B 460 -17.681 -17.400 -2.991 1.00 0.00 H new ATOM 0 HB3 TRP B 460 -19.417 -17.162 -2.992 1.00 0.00 H new ATOM 0 HD1 TRP B 460 -20.018 -20.366 -2.220 1.00 0.00 H new ATOM 0 HE1 TRP B 460 -19.720 -21.127 0.240 1.00 0.00 H new ATOM 0 HE3 TRP B 460 -17.004 -16.563 -0.757 1.00 0.00 H new ATOM 0 HZ2 TRP B 460 -18.330 -20.156 2.518 1.00 0.00 H new ATOM 0 HZ3 TRP B 460 -16.222 -16.545 1.601 1.00 0.00 H new ATOM 0 HH2 TRP B 460 -16.839 -18.259 3.216 1.00 0.00 H new ATOM 1132 N ASN B 461 -20.973 -18.278 -5.044 1.00 0.00 N ATOM 1133 CA ASN B 461 -22.360 -18.559 -5.371 1.00 0.00 C ATOM 1134 C ASN B 461 -22.414 -19.536 -6.547 1.00 0.00 C ATOM 1135 O ASN B 461 -23.398 -20.256 -6.717 1.00 0.00 O ATOM 1136 CB ASN B 461 -23.099 -17.284 -5.781 1.00 0.00 C ATOM 1137 CG ASN B 461 -23.037 -16.233 -4.671 1.00 0.00 C ATOM 1138 OD1 ASN B 461 -23.865 -16.189 -3.776 1.00 0.00 O ATOM 1139 ND2 ASN B 461 -22.013 -15.393 -4.778 1.00 0.00 N ATOM 0 H ASN B 461 -20.676 -17.321 -5.233 1.00 0.00 H new ATOM 0 HA ASN B 461 -22.836 -18.982 -4.486 1.00 0.00 H new ATOM 0 HB2 ASN B 461 -22.658 -16.881 -6.693 1.00 0.00 H new ATOM 0 HB3 ASN B 461 -24.139 -17.519 -6.007 1.00 0.00 H new ATOM 0 HD21 ASN B 461 -21.884 -14.655 -4.085 1.00 0.00 H new ATOM 0 HD22 ASN B 461 -21.356 -15.486 -5.553 1.00 0.00 H new ATOM 1146 N GLN B 462 -21.345 -19.530 -7.330 1.00 0.00 N ATOM 1147 CA GLN B 462 -21.259 -20.406 -8.486 1.00 0.00 C ATOM 1148 C GLN B 462 -20.757 -21.790 -8.068 1.00 0.00 C ATOM 1149 O GLN B 462 -20.304 -22.569 -8.905 1.00 0.00 O ATOM 1150 CB GLN B 462 -20.361 -19.801 -9.567 1.00 0.00 C ATOM 1151 CG GLN B 462 -21.191 -19.294 -10.749 1.00 0.00 C ATOM 1152 CD GLN B 462 -22.429 -18.537 -10.264 1.00 0.00 C ATOM 1153 OE1 GLN B 462 -23.485 -18.565 -10.876 1.00 0.00 O ATOM 1154 NE2 GLN B 462 -22.242 -17.859 -9.135 1.00 0.00 N ATOM 0 H GLN B 462 -20.531 -18.932 -7.186 1.00 0.00 H new ATOM 0 HA GLN B 462 -22.258 -20.516 -8.909 1.00 0.00 H new ATOM 0 HB2 GLN B 462 -19.782 -18.979 -9.146 1.00 0.00 H new ATOM 0 HB3 GLN B 462 -19.648 -20.549 -9.913 1.00 0.00 H new ATOM 0 HG2 GLN B 462 -20.581 -18.640 -11.372 1.00 0.00 H new ATOM 0 HG3 GLN B 462 -21.495 -20.135 -11.372 1.00 0.00 H new ATOM 0 HE21 GLN B 462 -21.333 -17.878 -8.673 1.00 0.00 H new ATOM 0 HE22 GLN B 462 -23.008 -17.320 -8.731 1.00 0.00 H new ATOM 1163 N HIS B 463 -20.855 -22.053 -6.773 1.00 0.00 N ATOM 1164 CA HIS B 463 -20.416 -23.328 -6.233 1.00 0.00 C ATOM 1165 C HIS B 463 -20.914 -24.464 -7.129 1.00 0.00 C ATOM 1166 O HIS B 463 -20.339 -25.551 -7.137 1.00 0.00 O ATOM 1167 CB HIS B 463 -20.859 -23.484 -4.777 1.00 0.00 C ATOM 1168 CG HIS B 463 -21.254 -24.892 -4.403 1.00 0.00 C ATOM 1169 ND1 HIS B 463 -20.380 -25.962 -4.479 1.00 0.00 N ATOM 1170 CD2 HIS B 463 -22.438 -25.394 -3.948 1.00 0.00 C ATOM 1171 CE1 HIS B 463 -21.019 -27.054 -4.087 1.00 0.00 C ATOM 1172 NE2 HIS B 463 -22.295 -26.700 -3.759 1.00 0.00 N ATOM 0 H HIS B 463 -21.232 -21.404 -6.082 1.00 0.00 H new ATOM 0 HA HIS B 463 -19.327 -23.368 -6.226 1.00 0.00 H new ATOM 0 HB2 HIS B 463 -20.048 -23.160 -4.125 1.00 0.00 H new ATOM 0 HB3 HIS B 463 -21.703 -22.819 -4.591 1.00 0.00 H new ATOM 0 HD2 HIS B 463 -23.339 -24.825 -3.771 1.00 0.00 H new ATOM 0 HE1 HIS B 463 -20.603 -28.049 -4.036 1.00 0.00 H new ATOM 0 HE2 HIS B 463 -23.020 -27.334 -3.424 1.00 0.00 H new ATOM 1180 N LYS B 464 -21.978 -24.172 -7.863 1.00 0.00 N ATOM 1181 CA LYS B 464 -22.561 -25.155 -8.761 1.00 0.00 C ATOM 1182 C LYS B 464 -21.495 -25.631 -9.749 1.00 0.00 C ATOM 1183 O LYS B 464 -21.534 -26.771 -10.208 1.00 0.00 O ATOM 1184 CB LYS B 464 -23.814 -24.591 -9.432 1.00 0.00 C ATOM 1185 CG LYS B 464 -24.853 -25.690 -9.665 1.00 0.00 C ATOM 1186 CD LYS B 464 -26.082 -25.480 -8.778 1.00 0.00 C ATOM 1187 CE LYS B 464 -25.867 -26.088 -7.391 1.00 0.00 C ATOM 1188 NZ LYS B 464 -26.595 -25.309 -6.365 1.00 0.00 N ATOM 0 H LYS B 464 -22.452 -23.269 -7.854 1.00 0.00 H new ATOM 0 HA LYS B 464 -22.894 -26.031 -8.204 1.00 0.00 H new ATOM 0 HB2 LYS B 464 -24.243 -23.806 -8.809 1.00 0.00 H new ATOM 0 HB3 LYS B 464 -23.546 -24.131 -10.383 1.00 0.00 H new ATOM 0 HG2 LYS B 464 -25.153 -25.695 -10.713 1.00 0.00 H new ATOM 0 HG3 LYS B 464 -24.411 -26.664 -9.455 1.00 0.00 H new ATOM 0 HD2 LYS B 464 -26.289 -24.414 -8.684 1.00 0.00 H new ATOM 0 HD3 LYS B 464 -26.955 -25.934 -9.247 1.00 0.00 H new ATOM 0 HE2 LYS B 464 -26.212 -27.122 -7.383 1.00 0.00 H new ATOM 0 HE3 LYS B 464 -24.803 -26.105 -7.156 1.00 0.00 H new ATOM 0 HZ1 LYS B 464 -26.438 -25.735 -5.429 1.00 0.00 H new ATOM 0 HZ2 LYS B 464 -26.247 -24.329 -6.362 1.00 0.00 H new ATOM 0 HZ3 LYS B 464 -27.612 -25.314 -6.582 1.00 0.00 H new ATOM 1202 N LYS B 465 -20.568 -24.733 -10.049 1.00 0.00 N ATOM 1203 CA LYS B 465 -19.493 -25.047 -10.975 1.00 0.00 C ATOM 1204 C LYS B 465 -18.191 -24.422 -10.469 1.00 0.00 C ATOM 1205 O LYS B 465 -17.490 -23.745 -11.219 1.00 0.00 O ATOM 1206 CB LYS B 465 -19.868 -24.620 -12.396 1.00 0.00 C ATOM 1207 CG LYS B 465 -20.312 -23.156 -12.429 1.00 0.00 C ATOM 1208 CD LYS B 465 -21.289 -22.906 -13.580 1.00 0.00 C ATOM 1209 CE LYS B 465 -22.374 -21.908 -13.171 1.00 0.00 C ATOM 1210 NZ LYS B 465 -22.038 -20.550 -13.656 1.00 0.00 N ATOM 0 H LYS B 465 -20.539 -23.788 -9.667 1.00 0.00 H new ATOM 0 HA LYS B 465 -19.333 -26.124 -11.022 1.00 0.00 H new ATOM 0 HB2 LYS B 465 -19.014 -24.760 -13.059 1.00 0.00 H new ATOM 0 HB3 LYS B 465 -20.670 -25.256 -12.771 1.00 0.00 H new ATOM 0 HG2 LYS B 465 -20.785 -22.894 -11.482 1.00 0.00 H new ATOM 0 HG3 LYS B 465 -19.441 -22.510 -12.540 1.00 0.00 H new ATOM 0 HD2 LYS B 465 -20.747 -22.525 -14.446 1.00 0.00 H new ATOM 0 HD3 LYS B 465 -21.750 -23.847 -13.881 1.00 0.00 H new ATOM 0 HE2 LYS B 465 -23.335 -22.219 -13.580 1.00 0.00 H new ATOM 0 HE3 LYS B 465 -22.477 -21.898 -12.086 1.00 0.00 H new ATOM 0 HZ1 LYS B 465 -22.667 -19.855 -13.205 1.00 0.00 H new ATOM 0 HZ2 LYS B 465 -21.050 -20.330 -13.416 1.00 0.00 H new ATOM 0 HZ3 LYS B 465 -22.161 -20.510 -14.688 1.00 0.00 H new ATOM 1224 N LEU B 466 -17.907 -24.673 -9.199 1.00 0.00 N ATOM 1225 CA LEU B 466 -16.701 -24.144 -8.584 1.00 0.00 C ATOM 1226 C LEU B 466 -15.476 -24.698 -9.315 1.00 0.00 C ATOM 1227 O LEU B 466 -14.444 -24.033 -9.397 1.00 0.00 O ATOM 1228 CB LEU B 466 -16.699 -24.426 -7.080 1.00 0.00 C ATOM 1229 CG LEU B 466 -16.021 -25.726 -6.642 1.00 0.00 C ATOM 1230 CD1 LEU B 466 -14.739 -25.438 -5.859 1.00 0.00 C ATOM 1231 CD2 LEU B 466 -16.989 -26.609 -5.853 1.00 0.00 C ATOM 0 H LEU B 466 -18.491 -25.235 -8.580 1.00 0.00 H new ATOM 0 HA LEU B 466 -16.668 -23.059 -8.682 1.00 0.00 H new ATOM 0 HB2 LEU B 466 -16.207 -23.595 -6.575 1.00 0.00 H new ATOM 0 HB3 LEU B 466 -17.732 -24.443 -6.732 1.00 0.00 H new ATOM 0 HG LEU B 466 -15.734 -26.281 -7.535 1.00 0.00 H new ATOM 0 HD11 LEU B 466 -14.277 -26.378 -5.559 1.00 0.00 H new ATOM 0 HD12 LEU B 466 -14.047 -24.877 -6.487 1.00 0.00 H new ATOM 0 HD13 LEU B 466 -14.979 -24.853 -4.971 1.00 0.00 H new ATOM 0 HD21 LEU B 466 -16.483 -27.527 -5.553 1.00 0.00 H new ATOM 0 HD22 LEU B 466 -17.327 -26.075 -4.965 1.00 0.00 H new ATOM 0 HD23 LEU B 466 -17.848 -26.856 -6.477 1.00 0.00 H new ATOM 1243 N GLU B 467 -15.630 -25.911 -9.827 1.00 0.00 N ATOM 1244 CA GLU B 467 -14.549 -26.562 -10.548 1.00 0.00 C ATOM 1245 C GLU B 467 -14.075 -25.679 -11.704 1.00 0.00 C ATOM 1246 O GLU B 467 -12.909 -25.734 -12.094 1.00 0.00 O ATOM 1247 CB GLU B 467 -14.979 -27.941 -11.052 1.00 0.00 C ATOM 1248 CG GLU B 467 -14.049 -29.033 -10.520 1.00 0.00 C ATOM 1249 CD GLU B 467 -14.651 -30.422 -10.743 1.00 0.00 C ATOM 1250 OE1 GLU B 467 -15.723 -30.677 -10.153 1.00 0.00 O ATOM 1251 OE2 GLU B 467 -14.025 -31.198 -11.498 1.00 0.00 O ATOM 0 H GLU B 467 -16.487 -26.460 -9.757 1.00 0.00 H new ATOM 0 HA GLU B 467 -13.715 -26.706 -9.861 1.00 0.00 H new ATOM 0 HB2 GLU B 467 -16.002 -28.145 -10.737 1.00 0.00 H new ATOM 0 HB3 GLU B 467 -14.973 -27.952 -12.142 1.00 0.00 H new ATOM 0 HG2 GLU B 467 -13.082 -28.967 -11.019 1.00 0.00 H new ATOM 0 HG3 GLU B 467 -13.870 -28.877 -9.456 1.00 0.00 H new ATOM 1258 N LYS B 468 -15.001 -24.885 -12.219 1.00 0.00 N ATOM 1259 CA LYS B 468 -14.692 -23.992 -13.323 1.00 0.00 C ATOM 1260 C LYS B 468 -14.532 -22.566 -12.790 1.00 0.00 C ATOM 1261 O LYS B 468 -14.420 -21.619 -13.567 1.00 0.00 O ATOM 1262 CB LYS B 468 -15.743 -24.121 -14.427 1.00 0.00 C ATOM 1263 CG LYS B 468 -16.913 -23.164 -14.186 1.00 0.00 C ATOM 1264 CD LYS B 468 -16.885 -22.002 -15.180 1.00 0.00 C ATOM 1265 CE LYS B 468 -17.321 -22.461 -16.573 1.00 0.00 C ATOM 1266 NZ LYS B 468 -17.864 -21.323 -17.348 1.00 0.00 N ATOM 0 H LYS B 468 -15.966 -24.841 -11.892 1.00 0.00 H new ATOM 0 HA LYS B 468 -13.744 -24.270 -13.784 1.00 0.00 H new ATOM 0 HB2 LYS B 468 -15.288 -23.908 -15.394 1.00 0.00 H new ATOM 0 HB3 LYS B 468 -16.110 -25.147 -14.467 1.00 0.00 H new ATOM 0 HG2 LYS B 468 -17.855 -23.705 -14.280 1.00 0.00 H new ATOM 0 HG3 LYS B 468 -16.867 -22.777 -13.168 1.00 0.00 H new ATOM 0 HD2 LYS B 468 -17.544 -21.206 -14.833 1.00 0.00 H new ATOM 0 HD3 LYS B 468 -15.879 -21.585 -15.229 1.00 0.00 H new ATOM 0 HE2 LYS B 468 -16.472 -22.896 -17.101 1.00 0.00 H new ATOM 0 HE3 LYS B 468 -18.076 -23.242 -16.485 1.00 0.00 H new ATOM 0 HZ1 LYS B 468 -18.155 -21.652 -18.291 1.00 0.00 H new ATOM 0 HZ2 LYS B 468 -18.686 -20.925 -16.851 1.00 0.00 H new ATOM 0 HZ3 LYS B 468 -17.133 -20.590 -17.448 1.00 0.00 H new ATOM 1280 N CYS B 469 -14.526 -22.459 -11.470 1.00 0.00 N ATOM 1281 CA CYS B 469 -14.382 -21.165 -10.825 1.00 0.00 C ATOM 1282 C CYS B 469 -12.943 -21.038 -10.320 1.00 0.00 C ATOM 1283 O CYS B 469 -12.448 -19.930 -10.119 1.00 0.00 O ATOM 1284 CB CYS B 469 -15.400 -20.978 -9.698 1.00 0.00 C ATOM 1285 SG CYS B 469 -14.699 -21.574 -8.116 1.00 0.00 S ATOM 0 H CYS B 469 -14.619 -23.247 -10.829 1.00 0.00 H new ATOM 0 HA CYS B 469 -14.585 -20.372 -11.545 1.00 0.00 H new ATOM 0 HB2 CYS B 469 -15.670 -19.926 -9.612 1.00 0.00 H new ATOM 0 HB3 CYS B 469 -16.315 -21.524 -9.929 1.00 0.00 H new ATOM 0 HG CYS B 469 -14.308 -22.806 -8.251 1.00 0.00 H new ATOM 1291 N ARG B 470 -12.312 -22.188 -10.131 1.00 0.00 N ATOM 1292 CA ARG B 470 -10.940 -22.219 -9.654 1.00 0.00 C ATOM 1293 C ARG B 470 -10.062 -21.297 -10.503 1.00 0.00 C ATOM 1294 O ARG B 470 -10.184 -21.271 -11.727 1.00 0.00 O ATOM 1295 CB ARG B 470 -10.372 -23.639 -9.702 1.00 0.00 C ATOM 1296 CG ARG B 470 -11.338 -24.637 -9.061 1.00 0.00 C ATOM 1297 CD ARG B 470 -10.621 -25.509 -8.029 1.00 0.00 C ATOM 1298 NE ARG B 470 -10.681 -26.931 -8.438 1.00 0.00 N ATOM 1299 CZ ARG B 470 -9.994 -27.914 -7.841 1.00 0.00 C ATOM 1300 NH1 ARG B 470 -9.191 -27.637 -6.805 1.00 0.00 N ATOM 1301 NH2 ARG B 470 -10.111 -29.175 -8.279 1.00 0.00 N ATOM 0 H ARG B 470 -12.726 -23.105 -10.300 1.00 0.00 H new ATOM 0 HA ARG B 470 -10.941 -21.875 -8.620 1.00 0.00 H new ATOM 0 HB2 ARG B 470 -10.182 -23.924 -10.737 1.00 0.00 H new ATOM 0 HB3 ARG B 470 -9.414 -23.669 -9.183 1.00 0.00 H new ATOM 0 HG2 ARG B 470 -12.157 -24.100 -8.582 1.00 0.00 H new ATOM 0 HG3 ARG B 470 -11.779 -25.268 -9.832 1.00 0.00 H new ATOM 0 HD2 ARG B 470 -9.582 -25.193 -7.933 1.00 0.00 H new ATOM 0 HD3 ARG B 470 -11.084 -25.384 -7.050 1.00 0.00 H new ATOM 0 HE ARG B 470 -11.283 -27.177 -9.224 1.00 0.00 H new ATOM 0 HH11 ARG B 470 -9.103 -26.677 -6.471 1.00 0.00 H new ATOM 0 HH12 ARG B 470 -8.668 -28.386 -6.351 1.00 0.00 H new ATOM 0 HH21 ARG B 470 -10.723 -29.386 -9.067 1.00 0.00 H new ATOM 0 HH22 ARG B 470 -9.588 -29.923 -7.824 1.00 0.00 H new ATOM 1315 N GLY B 471 -9.196 -20.562 -9.820 1.00 0.00 N ATOM 1316 CA GLY B 471 -8.300 -19.640 -10.495 1.00 0.00 C ATOM 1317 C GLY B 471 -7.066 -19.349 -9.639 1.00 0.00 C ATOM 1318 O GLY B 471 -6.941 -19.862 -8.528 1.00 0.00 O ATOM 0 H GLY B 471 -9.096 -20.587 -8.805 1.00 0.00 H new ATOM 0 HA2 GLY B 471 -7.992 -20.062 -11.452 1.00 0.00 H new ATOM 0 HA3 GLY B 471 -8.825 -18.709 -10.711 1.00 0.00 H new ATOM 1322 N VAL B 472 -6.185 -18.526 -10.189 1.00 0.00 N ATOM 1323 CA VAL B 472 -4.965 -18.160 -9.489 1.00 0.00 C ATOM 1324 C VAL B 472 -4.903 -16.638 -9.341 1.00 0.00 C ATOM 1325 O VAL B 472 -5.318 -15.907 -10.239 1.00 0.00 O ATOM 1326 CB VAL B 472 -3.750 -18.739 -10.218 1.00 0.00 C ATOM 1327 CG1 VAL B 472 -2.470 -18.000 -9.822 1.00 0.00 C ATOM 1328 CG2 VAL B 472 -3.619 -20.241 -9.957 1.00 0.00 C ATOM 0 H VAL B 472 -6.292 -18.102 -11.111 1.00 0.00 H new ATOM 0 HA VAL B 472 -4.959 -18.585 -8.485 1.00 0.00 H new ATOM 0 HB VAL B 472 -3.902 -18.597 -11.288 1.00 0.00 H new ATOM 0 HG11 VAL B 472 -1.622 -18.431 -10.354 1.00 0.00 H new ATOM 0 HG12 VAL B 472 -2.564 -16.946 -10.082 1.00 0.00 H new ATOM 0 HG13 VAL B 472 -2.312 -18.096 -8.748 1.00 0.00 H new ATOM 0 HG21 VAL B 472 -2.748 -20.628 -10.486 1.00 0.00 H new ATOM 0 HG22 VAL B 472 -3.501 -20.416 -8.888 1.00 0.00 H new ATOM 0 HG23 VAL B 472 -4.515 -20.751 -10.311 1.00 0.00 H new ATOM 1338 N PHE B 473 -4.383 -16.207 -8.202 1.00 0.00 N ATOM 1339 CA PHE B 473 -4.261 -14.786 -7.925 1.00 0.00 C ATOM 1340 C PHE B 473 -3.041 -14.501 -7.048 1.00 0.00 C ATOM 1341 O PHE B 473 -2.659 -15.328 -6.222 1.00 0.00 O ATOM 1342 CB PHE B 473 -5.525 -14.366 -7.172 1.00 0.00 C ATOM 1343 CG PHE B 473 -5.598 -14.893 -5.737 1.00 0.00 C ATOM 1344 CD1 PHE B 473 -5.861 -16.207 -5.508 1.00 0.00 C ATOM 1345 CD2 PHE B 473 -5.399 -14.046 -4.691 1.00 0.00 C ATOM 1346 CE1 PHE B 473 -5.929 -16.696 -4.176 1.00 0.00 C ATOM 1347 CE2 PHE B 473 -5.467 -14.535 -3.360 1.00 0.00 C ATOM 1348 CZ PHE B 473 -5.730 -15.849 -3.130 1.00 0.00 C ATOM 0 H PHE B 473 -4.041 -16.817 -7.460 1.00 0.00 H new ATOM 0 HA PHE B 473 -4.141 -14.235 -8.858 1.00 0.00 H new ATOM 0 HB2 PHE B 473 -5.579 -13.278 -7.152 1.00 0.00 H new ATOM 0 HB3 PHE B 473 -6.397 -14.718 -7.722 1.00 0.00 H new ATOM 0 HD1 PHE B 473 -6.018 -16.879 -6.339 1.00 0.00 H new ATOM 0 HD2 PHE B 473 -5.189 -13.002 -4.873 1.00 0.00 H new ATOM 0 HE1 PHE B 473 -6.139 -17.740 -3.994 1.00 0.00 H new ATOM 0 HE2 PHE B 473 -5.310 -13.863 -2.529 1.00 0.00 H new ATOM 0 HZ PHE B 473 -5.781 -16.220 -2.117 1.00 0.00 H new ATOM 1358 N PRO B 474 -2.447 -13.296 -7.263 1.00 0.00 N ATOM 1359 CA PRO B 474 -1.278 -12.892 -6.501 1.00 0.00 C ATOM 1360 C PRO B 474 -1.664 -12.486 -5.078 1.00 0.00 C ATOM 1361 O PRO B 474 -2.388 -11.511 -4.881 1.00 0.00 O ATOM 1362 CB PRO B 474 -0.664 -11.752 -7.298 1.00 0.00 C ATOM 1363 CG PRO B 474 -1.761 -11.253 -8.225 1.00 0.00 C ATOM 1364 CD PRO B 474 -2.872 -12.291 -8.233 1.00 0.00 C ATOM 0 HA PRO B 474 -0.560 -13.702 -6.371 1.00 0.00 H new ATOM 0 HB2 PRO B 474 -0.318 -10.956 -6.638 1.00 0.00 H new ATOM 0 HB3 PRO B 474 0.201 -12.094 -7.866 1.00 0.00 H new ATOM 0 HG2 PRO B 474 -2.141 -10.290 -7.884 1.00 0.00 H new ATOM 0 HG3 PRO B 474 -1.371 -11.103 -9.232 1.00 0.00 H new ATOM 0 HD2 PRO B 474 -3.828 -11.850 -7.953 1.00 0.00 H new ATOM 0 HD3 PRO B 474 -3.000 -12.726 -9.224 1.00 0.00 H new ATOM 1372 N GLU B 475 -1.163 -13.254 -4.121 1.00 0.00 N ATOM 1373 CA GLU B 475 -1.447 -12.987 -2.721 1.00 0.00 C ATOM 1374 C GLU B 475 -0.771 -11.687 -2.281 1.00 0.00 C ATOM 1375 O GLU B 475 -1.262 -11.000 -1.387 1.00 0.00 O ATOM 1376 CB GLU B 475 -1.010 -14.159 -1.840 1.00 0.00 C ATOM 1377 CG GLU B 475 -0.836 -13.716 -0.386 1.00 0.00 C ATOM 1378 CD GLU B 475 -1.270 -14.821 0.579 1.00 0.00 C ATOM 1379 OE1 GLU B 475 -2.499 -14.995 0.726 1.00 0.00 O ATOM 1380 OE2 GLU B 475 -0.363 -15.465 1.149 1.00 0.00 O ATOM 0 H GLU B 475 -0.562 -14.061 -4.288 1.00 0.00 H new ATOM 0 HA GLU B 475 -2.524 -12.870 -2.604 1.00 0.00 H new ATOM 0 HB2 GLU B 475 -1.751 -14.956 -1.895 1.00 0.00 H new ATOM 0 HB3 GLU B 475 -0.072 -14.570 -2.214 1.00 0.00 H new ATOM 0 HG2 GLU B 475 0.207 -13.457 -0.203 1.00 0.00 H new ATOM 0 HG3 GLU B 475 -1.424 -12.817 -0.203 1.00 0.00 H new ATOM 1387 N ASN B 476 0.345 -11.389 -2.930 1.00 0.00 N ATOM 1388 CA ASN B 476 1.095 -10.184 -2.616 1.00 0.00 C ATOM 1389 C ASN B 476 0.333 -8.965 -3.139 1.00 0.00 C ATOM 1390 O ASN B 476 0.727 -7.827 -2.885 1.00 0.00 O ATOM 1391 CB ASN B 476 2.472 -10.203 -3.282 1.00 0.00 C ATOM 1392 CG ASN B 476 3.059 -11.616 -3.288 1.00 0.00 C ATOM 1393 OD1 ASN B 476 2.860 -12.403 -2.377 1.00 0.00 O ATOM 1394 ND2 ASN B 476 3.791 -11.893 -4.363 1.00 0.00 N ATOM 0 H ASN B 476 0.748 -11.961 -3.672 1.00 0.00 H new ATOM 0 HA ASN B 476 1.219 -10.136 -1.534 1.00 0.00 H new ATOM 0 HB2 ASN B 476 2.390 -9.835 -4.305 1.00 0.00 H new ATOM 0 HB3 ASN B 476 3.145 -9.528 -2.753 1.00 0.00 H new ATOM 0 HD21 ASN B 476 4.226 -12.810 -4.461 1.00 0.00 H new ATOM 0 HD22 ASN B 476 3.918 -11.188 -5.089 1.00 0.00 H new ATOM 1401 N PHE B 477 -0.744 -9.243 -3.859 1.00 0.00 N ATOM 1402 CA PHE B 477 -1.564 -8.183 -4.419 1.00 0.00 C ATOM 1403 C PHE B 477 -2.942 -8.146 -3.755 1.00 0.00 C ATOM 1404 O PHE B 477 -3.785 -7.325 -4.112 1.00 0.00 O ATOM 1405 CB PHE B 477 -1.737 -8.491 -5.908 1.00 0.00 C ATOM 1406 CG PHE B 477 -3.123 -8.148 -6.457 1.00 0.00 C ATOM 1407 CD1 PHE B 477 -4.202 -8.895 -6.099 1.00 0.00 C ATOM 1408 CD2 PHE B 477 -3.277 -7.095 -7.304 1.00 0.00 C ATOM 1409 CE1 PHE B 477 -5.488 -8.575 -6.608 1.00 0.00 C ATOM 1410 CE2 PHE B 477 -4.563 -6.775 -7.814 1.00 0.00 C ATOM 1411 CZ PHE B 477 -5.642 -7.522 -7.455 1.00 0.00 C ATOM 0 H PHE B 477 -1.068 -10.188 -4.067 1.00 0.00 H new ATOM 0 HA PHE B 477 -1.086 -7.217 -4.256 1.00 0.00 H new ATOM 0 HB2 PHE B 477 -0.987 -7.938 -6.473 1.00 0.00 H new ATOM 0 HB3 PHE B 477 -1.544 -9.551 -6.074 1.00 0.00 H new ATOM 0 HD1 PHE B 477 -4.080 -9.732 -5.427 1.00 0.00 H new ATOM 0 HD2 PHE B 477 -2.421 -6.502 -7.589 1.00 0.00 H new ATOM 0 HE1 PHE B 477 -6.344 -9.168 -6.323 1.00 0.00 H new ATOM 0 HE2 PHE B 477 -4.685 -5.939 -8.487 1.00 0.00 H new ATOM 0 HZ PHE B 477 -6.620 -7.279 -7.842 1.00 0.00 H new ATOM 1421 N THR B 478 -3.127 -9.045 -2.799 1.00 0.00 N ATOM 1422 CA THR B 478 -4.387 -9.124 -2.080 1.00 0.00 C ATOM 1423 C THR B 478 -4.144 -9.063 -0.571 1.00 0.00 C ATOM 1424 O THR B 478 -3.001 -9.114 -0.120 1.00 0.00 O ATOM 1425 CB THR B 478 -5.108 -10.397 -2.528 1.00 0.00 C ATOM 1426 OG1 THR B 478 -4.053 -11.310 -2.818 1.00 0.00 O ATOM 1427 CG2 THR B 478 -5.827 -10.222 -3.867 1.00 0.00 C ATOM 0 H THR B 478 -2.425 -9.725 -2.506 1.00 0.00 H new ATOM 0 HA THR B 478 -5.028 -8.272 -2.309 1.00 0.00 H new ATOM 0 HB THR B 478 -5.828 -10.694 -1.765 1.00 0.00 H new ATOM 0 HG1 THR B 478 -3.745 -11.173 -3.738 1.00 0.00 H new ATOM 0 HG21 THR B 478 -6.322 -11.154 -4.139 1.00 0.00 H new ATOM 0 HG22 THR B 478 -6.569 -9.429 -3.780 1.00 0.00 H new ATOM 0 HG23 THR B 478 -5.102 -9.958 -4.637 1.00 0.00 H new ATOM 1435 N GLU B 479 -5.238 -8.955 0.168 1.00 0.00 N ATOM 1436 CA GLU B 479 -5.159 -8.886 1.618 1.00 0.00 C ATOM 1437 C GLU B 479 -6.043 -9.963 2.249 1.00 0.00 C ATOM 1438 O GLU B 479 -7.112 -10.279 1.728 1.00 0.00 O ATOM 1439 CB GLU B 479 -5.544 -7.495 2.123 1.00 0.00 C ATOM 1440 CG GLU B 479 -4.688 -7.091 3.325 1.00 0.00 C ATOM 1441 CD GLU B 479 -4.454 -5.580 3.350 1.00 0.00 C ATOM 1442 OE1 GLU B 479 -5.435 -4.850 3.091 1.00 0.00 O ATOM 1443 OE2 GLU B 479 -3.300 -5.188 3.627 1.00 0.00 O ATOM 0 H GLU B 479 -6.185 -8.914 -0.210 1.00 0.00 H new ATOM 0 HA GLU B 479 -4.127 -9.071 1.915 1.00 0.00 H new ATOM 0 HB2 GLU B 479 -5.419 -6.766 1.322 1.00 0.00 H new ATOM 0 HB3 GLU B 479 -6.598 -7.485 2.402 1.00 0.00 H new ATOM 0 HG2 GLU B 479 -5.180 -7.401 4.247 1.00 0.00 H new ATOM 0 HG3 GLU B 479 -3.730 -7.610 3.285 1.00 0.00 H new ATOM 1450 N ARG B 480 -5.565 -10.498 3.363 1.00 0.00 N ATOM 1451 CA ARG B 480 -6.300 -11.533 4.071 1.00 0.00 C ATOM 1452 C ARG B 480 -7.366 -10.905 4.971 1.00 0.00 C ATOM 1453 O ARG B 480 -7.105 -9.915 5.652 1.00 0.00 O ATOM 1454 CB ARG B 480 -5.361 -12.388 4.925 1.00 0.00 C ATOM 1455 CG ARG B 480 -4.207 -12.940 4.085 1.00 0.00 C ATOM 1456 CD ARG B 480 -3.809 -14.341 4.554 1.00 0.00 C ATOM 1457 NE ARG B 480 -2.372 -14.367 4.908 1.00 0.00 N ATOM 1458 CZ ARG B 480 -1.877 -13.926 6.072 1.00 0.00 C ATOM 1459 NH1 ARG B 480 -2.700 -13.422 7.002 1.00 0.00 N ATOM 1460 NH2 ARG B 480 -0.559 -13.989 6.307 1.00 0.00 N ATOM 0 H ARG B 480 -4.678 -10.234 3.793 1.00 0.00 H new ATOM 0 HA ARG B 480 -6.777 -12.170 3.326 1.00 0.00 H new ATOM 0 HB2 ARG B 480 -4.965 -11.790 5.746 1.00 0.00 H new ATOM 0 HB3 ARG B 480 -5.918 -13.212 5.371 1.00 0.00 H new ATOM 0 HG2 ARG B 480 -4.500 -12.973 3.036 1.00 0.00 H new ATOM 0 HG3 ARG B 480 -3.349 -12.272 4.155 1.00 0.00 H new ATOM 0 HD2 ARG B 480 -4.410 -14.629 5.417 1.00 0.00 H new ATOM 0 HD3 ARG B 480 -4.011 -15.068 3.767 1.00 0.00 H new ATOM 0 HE ARG B 480 -1.718 -14.744 4.223 1.00 0.00 H new ATOM 0 HH11 ARG B 480 -3.703 -13.374 6.823 1.00 0.00 H new ATOM 0 HH12 ARG B 480 -2.323 -13.086 7.888 1.00 0.00 H new ATOM 0 HH21 ARG B 480 0.067 -14.373 5.599 1.00 0.00 H new ATOM 0 HH22 ARG B 480 -0.182 -13.653 7.193 1.00 0.00 H new ATOM 1474 N VAL B 481 -8.546 -11.508 4.946 1.00 0.00 N ATOM 1475 CA VAL B 481 -9.653 -11.020 5.750 1.00 0.00 C ATOM 1476 C VAL B 481 -9.969 -12.040 6.846 1.00 0.00 C ATOM 1477 O VAL B 481 -10.345 -13.174 6.554 1.00 0.00 O ATOM 1478 CB VAL B 481 -10.855 -10.713 4.855 1.00 0.00 C ATOM 1479 CG1 VAL B 481 -11.979 -10.051 5.654 1.00 0.00 C ATOM 1480 CG2 VAL B 481 -10.444 -9.844 3.664 1.00 0.00 C ATOM 0 H VAL B 481 -8.759 -12.330 4.381 1.00 0.00 H new ATOM 0 HA VAL B 481 -9.385 -10.085 6.242 1.00 0.00 H new ATOM 0 HB VAL B 481 -11.233 -11.659 4.466 1.00 0.00 H new ATOM 0 HG11 VAL B 481 -12.821 -9.843 4.994 1.00 0.00 H new ATOM 0 HG12 VAL B 481 -12.300 -10.720 6.453 1.00 0.00 H new ATOM 0 HG13 VAL B 481 -11.618 -9.118 6.086 1.00 0.00 H new ATOM 0 HG21 VAL B 481 -11.317 -9.640 3.044 1.00 0.00 H new ATOM 0 HG22 VAL B 481 -10.029 -8.903 4.026 1.00 0.00 H new ATOM 0 HG23 VAL B 481 -9.693 -10.368 3.073 1.00 0.00 H new ATOM 1490 N PRO B 482 -9.802 -11.587 8.118 1.00 0.00 N ATOM 1491 CA PRO B 482 -10.064 -12.448 9.259 1.00 0.00 C ATOM 1492 C PRO B 482 -11.568 -12.620 9.482 1.00 0.00 C ATOM 1493 O PRO B 482 -12.109 -12.152 10.483 1.00 0.00 O ATOM 1494 CB PRO B 482 -9.364 -11.774 10.428 1.00 0.00 C ATOM 1495 CG PRO B 482 -9.132 -10.334 10.002 1.00 0.00 C ATOM 1496 CD PRO B 482 -9.360 -10.250 8.501 1.00 0.00 C ATOM 0 HA PRO B 482 -9.689 -13.461 9.117 1.00 0.00 H new ATOM 0 HB2 PRO B 482 -9.976 -11.821 11.329 1.00 0.00 H new ATOM 0 HB3 PRO B 482 -8.421 -12.270 10.657 1.00 0.00 H new ATOM 0 HG2 PRO B 482 -9.812 -9.665 10.530 1.00 0.00 H new ATOM 0 HG3 PRO B 482 -8.119 -10.020 10.252 1.00 0.00 H new ATOM 0 HD2 PRO B 482 -10.111 -9.499 8.256 1.00 0.00 H new ATOM 0 HD3 PRO B 482 -8.446 -9.970 7.977 1.00 0.00 H new