USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 554 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 43 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 47 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.536) USER MOD Set 2.1: A 24 MET CE :methyl 167:sc= 0 (180deg=-0.158) USER MOD Set 2.2: A 28 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.00783) USER MOD Single : A 22 ASN : amide:sc=-0.00135 X(o=-0.0013,f=-0.2) USER MOD Single : A 23 SER OG : rot -110:sc= -0.604 USER MOD Single : A 25 ASN : amide:sc=-0.00565 K(o=-0.0056,f=-1.1) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -157:sc= -0.0469 (180deg=-0.344) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc=-0.00508 (180deg=-0.00508) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -3.25! C(o=-3.3!,f=-7.3!) USER MOD Single : A 50 THR OG1 : rot -102:sc= 0.964 USER MOD Single : A 54 CYS SG : rot 126:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.33) USER MOD Single : A 56 MET CE :methyl -147:sc= -0.526 (180deg=-2.8!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 67 LYS NZ :NH3+ 141:sc= -2.55 (180deg=-4.38!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.793 X(o=-0.79,f=-1.1) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -3.77! C(o=-3.8!,f=-8.2!) USER MOD Single : A 87 ASN : amide:sc= 0.118 X(o=0.12,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.945 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 246 N ASP A 19 1.322 1.028 -11.381 1.00 0.00 N ATOM 247 CA ASP A 19 -0.001 1.104 -10.772 1.00 0.00 C ATOM 248 C ASP A 19 0.078 1.717 -9.377 1.00 0.00 C ATOM 249 O ASP A 19 -0.697 2.610 -9.035 1.00 0.00 O ATOM 250 CB ASP A 19 -0.632 -0.287 -10.697 1.00 0.00 C ATOM 251 CG ASP A 19 -1.273 -0.704 -12.006 1.00 0.00 C ATOM 252 OD1 ASP A 19 -0.567 -1.290 -12.853 1.00 0.00 O ATOM 253 OD2 ASP A 19 -2.482 -0.444 -12.183 1.00 0.00 O ATOM 0 HA ASP A 19 -0.625 1.744 -11.396 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.132 -1.015 -10.422 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.384 -0.300 -9.908 1.00 0.00 H new ATOM 258 N PHE A 20 1.019 1.229 -8.575 1.00 0.00 N ATOM 259 CA PHE A 20 1.197 1.727 -7.216 1.00 0.00 C ATOM 260 C PHE A 20 1.567 3.208 -7.223 1.00 0.00 C ATOM 261 O PHE A 20 0.859 4.037 -6.653 1.00 0.00 O ATOM 262 CB PHE A 20 2.281 0.924 -6.494 1.00 0.00 C ATOM 263 CG PHE A 20 2.428 1.284 -5.043 1.00 0.00 C ATOM 264 CD1 PHE A 20 3.237 2.341 -4.657 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.759 0.566 -4.066 1.00 0.00 C ATOM 266 CE1 PHE A 20 3.374 2.675 -3.323 1.00 0.00 C ATOM 267 CE2 PHE A 20 1.892 0.896 -2.731 1.00 0.00 C ATOM 268 CZ PHE A 20 2.702 1.951 -2.358 1.00 0.00 C ATOM 0 H PHE A 20 1.669 0.490 -8.842 1.00 0.00 H new ATOM 0 HA PHE A 20 0.252 1.609 -6.686 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.050 -0.138 -6.575 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.235 1.082 -6.998 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.766 2.910 -5.407 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.126 -0.261 -4.351 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.006 3.502 -3.035 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.363 0.329 -1.979 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.809 2.209 -1.315 1.00 0.00 H new ATOM 278 N GLU A 21 2.680 3.531 -7.873 1.00 0.00 N ATOM 279 CA GLU A 21 3.144 4.911 -7.954 1.00 0.00 C ATOM 280 C GLU A 21 1.990 5.855 -8.278 1.00 0.00 C ATOM 281 O GLU A 21 1.998 7.020 -7.883 1.00 0.00 O ATOM 282 CB GLU A 21 4.239 5.043 -9.015 1.00 0.00 C ATOM 283 CG GLU A 21 5.624 4.678 -8.509 1.00 0.00 C ATOM 284 CD GLU A 21 6.727 5.148 -9.437 1.00 0.00 C ATOM 285 OE1 GLU A 21 6.735 6.345 -9.792 1.00 0.00 O ATOM 286 OE2 GLU A 21 7.584 4.317 -9.808 1.00 0.00 O ATOM 0 H GLU A 21 3.277 2.856 -8.351 1.00 0.00 H new ATOM 0 HA GLU A 21 3.554 5.187 -6.983 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.991 4.404 -9.862 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.255 6.069 -9.383 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.773 5.116 -7.522 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.690 3.596 -8.391 1.00 0.00 H new ATOM 293 N ASN A 22 0.999 5.342 -9.001 1.00 0.00 N ATOM 294 CA ASN A 22 -0.162 6.139 -9.379 1.00 0.00 C ATOM 295 C ASN A 22 -1.159 6.229 -8.228 1.00 0.00 C ATOM 296 O ASN A 22 -1.698 7.298 -7.942 1.00 0.00 O ATOM 297 CB ASN A 22 -0.841 5.536 -10.611 1.00 0.00 C ATOM 298 CG ASN A 22 -0.056 5.786 -11.884 1.00 0.00 C ATOM 299 OD1 ASN A 22 0.349 6.914 -12.165 1.00 0.00 O ATOM 300 ND2 ASN A 22 0.161 4.732 -12.662 1.00 0.00 N ATOM 0 H ASN A 22 0.977 4.379 -9.336 1.00 0.00 H new ATOM 0 HA ASN A 22 0.182 7.146 -9.617 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.962 4.462 -10.467 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.841 5.958 -10.715 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.682 4.839 -13.532 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.193 3.815 -12.389 1.00 0.00 H new ATOM 307 N SER A 23 -1.398 5.099 -7.570 1.00 0.00 N ATOM 308 CA SER A 23 -2.333 5.049 -6.452 1.00 0.00 C ATOM 309 C SER A 23 -1.864 5.948 -5.312 1.00 0.00 C ATOM 310 O SER A 23 -2.635 6.746 -4.779 1.00 0.00 O ATOM 311 CB SER A 23 -2.487 3.612 -5.952 1.00 0.00 C ATOM 312 OG SER A 23 -3.304 2.853 -6.827 1.00 0.00 O ATOM 0 H SER A 23 -0.957 4.206 -7.792 1.00 0.00 H new ATOM 0 HA SER A 23 -3.300 5.410 -6.803 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.506 3.145 -5.869 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.924 3.616 -4.953 1.00 0.00 H new ATOM 0 HG SER A 23 -4.158 2.656 -6.389 1.00 0.00 H new ATOM 318 N MET A 24 -0.595 5.812 -4.943 1.00 0.00 N ATOM 319 CA MET A 24 -0.022 6.612 -3.866 1.00 0.00 C ATOM 320 C MET A 24 -0.128 8.101 -4.181 1.00 0.00 C ATOM 321 O MET A 24 -0.345 8.919 -3.288 1.00 0.00 O ATOM 322 CB MET A 24 1.442 6.229 -3.641 1.00 0.00 C ATOM 323 CG MET A 24 2.279 6.252 -4.910 1.00 0.00 C ATOM 324 SD MET A 24 4.018 6.601 -4.589 1.00 0.00 S ATOM 325 CE MET A 24 4.352 7.839 -5.840 1.00 0.00 C ATOM 0 H MET A 24 0.056 5.156 -5.373 1.00 0.00 H new ATOM 0 HA MET A 24 -0.586 6.410 -2.956 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.880 6.913 -2.914 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.485 5.231 -3.205 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.193 5.290 -5.415 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.881 7.005 -5.590 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.307 8.321 -5.629 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.394 7.364 -6.820 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.559 8.587 -5.833 1.00 0.00 H new ATOM 335 N ASN A 25 0.028 8.445 -5.455 1.00 0.00 N ATOM 336 CA ASN A 25 -0.049 9.836 -5.886 1.00 0.00 C ATOM 337 C ASN A 25 -1.446 10.402 -5.648 1.00 0.00 C ATOM 338 O ASN A 25 -1.601 11.463 -5.043 1.00 0.00 O ATOM 339 CB ASN A 25 0.315 9.954 -7.367 1.00 0.00 C ATOM 340 CG ASN A 25 0.511 11.393 -7.802 1.00 0.00 C ATOM 341 OD1 ASN A 25 0.619 12.295 -6.971 1.00 0.00 O ATOM 342 ND2 ASN A 25 0.558 11.615 -9.111 1.00 0.00 N ATOM 0 H ASN A 25 0.208 7.780 -6.207 1.00 0.00 H new ATOM 0 HA ASN A 25 0.664 10.413 -5.297 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.229 9.392 -7.560 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.472 9.499 -7.969 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.688 12.563 -9.463 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.464 10.837 -9.764 1.00 0.00 H new ATOM 349 N GLN A 26 -2.458 9.687 -6.128 1.00 0.00 N ATOM 350 CA GLN A 26 -3.842 10.119 -5.967 1.00 0.00 C ATOM 351 C GLN A 26 -4.129 10.497 -4.518 1.00 0.00 C ATOM 352 O GLN A 26 -4.800 11.493 -4.247 1.00 0.00 O ATOM 353 CB GLN A 26 -4.798 9.014 -6.418 1.00 0.00 C ATOM 354 CG GLN A 26 -4.683 8.674 -7.895 1.00 0.00 C ATOM 355 CD GLN A 26 -5.683 7.620 -8.331 1.00 0.00 C ATOM 356 OE1 GLN A 26 -5.316 6.479 -8.612 1.00 0.00 O ATOM 357 NE2 GLN A 26 -6.954 7.998 -8.389 1.00 0.00 N ATOM 0 H GLN A 26 -2.346 8.807 -6.631 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.997 11.000 -6.590 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.605 8.116 -5.831 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.822 9.321 -6.203 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.833 9.578 -8.485 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.674 8.321 -8.105 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.213 8.954 -8.147 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.672 7.332 -8.675 1.00 0.00 H new ATOM 366 N VAL A 27 -3.617 9.696 -3.590 1.00 0.00 N ATOM 367 CA VAL A 27 -3.818 9.947 -2.167 1.00 0.00 C ATOM 368 C VAL A 27 -3.148 11.248 -1.739 1.00 0.00 C ATOM 369 O VAL A 27 -3.529 11.856 -0.738 1.00 0.00 O ATOM 370 CB VAL A 27 -3.266 8.793 -1.310 1.00 0.00 C ATOM 371 CG1 VAL A 27 -3.543 9.043 0.165 1.00 0.00 C ATOM 372 CG2 VAL A 27 -3.864 7.466 -1.755 1.00 0.00 C ATOM 0 H VAL A 27 -3.060 8.867 -3.797 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.894 10.025 -2.008 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.186 8.745 -1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.146 8.217 0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.064 9.972 0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.618 9.119 0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.463 6.661 -1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.948 7.501 -1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.610 7.284 -2.799 1.00 0.00 H new ATOM 382 N LYS A 28 -2.148 11.672 -2.504 1.00 0.00 N ATOM 383 CA LYS A 28 -1.425 12.903 -2.207 1.00 0.00 C ATOM 384 C LYS A 28 -2.106 14.104 -2.854 1.00 0.00 C ATOM 385 O LYS A 28 -1.880 15.248 -2.455 1.00 0.00 O ATOM 386 CB LYS A 28 0.022 12.799 -2.695 1.00 0.00 C ATOM 387 CG LYS A 28 0.830 11.728 -1.983 1.00 0.00 C ATOM 388 CD LYS A 28 2.322 11.994 -2.087 1.00 0.00 C ATOM 389 CE LYS A 28 2.879 11.529 -3.424 1.00 0.00 C ATOM 390 NZ LYS A 28 3.060 10.051 -3.466 1.00 0.00 N ATOM 0 H LYS A 28 -1.819 11.181 -3.335 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.428 13.045 -1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.021 12.590 -3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.512 13.763 -2.559 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.539 11.689 -0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.602 10.753 -2.414 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.512 13.060 -1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.841 11.482 -1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.205 11.835 -4.224 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.836 12.017 -3.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.883 9.819 -4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.214 9.693 -2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.209 9.608 -3.868 1.00 0.00 H new ATOM 519 N ASN A 36 -7.425 9.503 10.387 1.00 0.00 N ATOM 520 CA ASN A 36 -6.271 8.750 10.863 1.00 0.00 C ATOM 521 C ASN A 36 -6.462 7.255 10.627 1.00 0.00 C ATOM 522 O ASN A 36 -5.497 6.491 10.607 1.00 0.00 O ATOM 523 CB ASN A 36 -6.039 9.017 12.351 1.00 0.00 C ATOM 524 CG ASN A 36 -5.217 10.268 12.593 1.00 0.00 C ATOM 525 OD1 ASN A 36 -5.691 11.385 12.384 1.00 0.00 O ATOM 526 ND2 ASN A 36 -3.978 10.086 13.035 1.00 0.00 N ATOM 0 HA ASN A 36 -5.397 9.080 10.301 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.001 9.115 12.854 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.532 8.161 12.796 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.377 10.891 13.215 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.627 9.142 13.194 1.00 0.00 H new ATOM 533 N GLU A 37 -7.714 6.844 10.448 1.00 0.00 N ATOM 534 CA GLU A 37 -8.031 5.440 10.214 1.00 0.00 C ATOM 535 C GLU A 37 -7.409 4.953 8.908 1.00 0.00 C ATOM 536 O GLU A 37 -6.776 3.898 8.865 1.00 0.00 O ATOM 537 CB GLU A 37 -9.547 5.236 10.177 1.00 0.00 C ATOM 538 CG GLU A 37 -9.961 3.824 9.798 1.00 0.00 C ATOM 539 CD GLU A 37 -10.000 2.888 10.989 1.00 0.00 C ATOM 540 OE1 GLU A 37 -8.923 2.399 11.394 1.00 0.00 O ATOM 541 OE2 GLU A 37 -11.104 2.643 11.517 1.00 0.00 O ATOM 0 H GLU A 37 -8.525 7.463 10.461 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.613 4.857 11.035 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.962 5.477 11.156 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.982 5.937 9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.945 3.851 9.330 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.266 3.432 9.056 1.00 0.00 H new ATOM 548 N VAL A 38 -7.595 5.729 7.845 1.00 0.00 N ATOM 549 CA VAL A 38 -7.053 5.378 6.538 1.00 0.00 C ATOM 550 C VAL A 38 -5.579 5.756 6.434 1.00 0.00 C ATOM 551 O VAL A 38 -4.774 5.014 5.871 1.00 0.00 O ATOM 552 CB VAL A 38 -7.830 6.070 5.403 1.00 0.00 C ATOM 553 CG1 VAL A 38 -8.030 7.546 5.715 1.00 0.00 C ATOM 554 CG2 VAL A 38 -7.108 5.891 4.076 1.00 0.00 C ATOM 0 H VAL A 38 -8.117 6.605 7.864 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.157 4.298 6.433 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.812 5.604 5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.581 8.018 4.902 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.593 7.649 6.643 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.059 8.030 5.825 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.672 6.387 3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.112 6.330 4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.022 4.828 3.849 1.00 0.00 H new ATOM 564 N LYS A 39 -5.232 6.915 6.982 1.00 0.00 N ATOM 565 CA LYS A 39 -3.855 7.393 6.955 1.00 0.00 C ATOM 566 C LYS A 39 -2.897 6.322 7.465 1.00 0.00 C ATOM 567 O LYS A 39 -1.694 6.376 7.207 1.00 0.00 O ATOM 568 CB LYS A 39 -3.716 8.661 7.800 1.00 0.00 C ATOM 569 CG LYS A 39 -4.375 9.881 7.179 1.00 0.00 C ATOM 570 CD LYS A 39 -4.872 10.847 8.241 1.00 0.00 C ATOM 571 CE LYS A 39 -4.945 12.271 7.709 1.00 0.00 C ATOM 572 NZ LYS A 39 -3.591 12.839 7.460 1.00 0.00 N ATOM 0 H LYS A 39 -5.886 7.542 7.451 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.598 7.623 5.921 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.153 8.483 8.782 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.658 8.870 7.955 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.663 10.389 6.528 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.210 9.566 6.553 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.858 10.535 8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.208 10.814 9.104 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.520 12.284 6.783 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.477 12.899 8.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.641 13.878 7.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.935 12.509 8.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.250 12.528 6.528 1.00 0.00 H new ATOM 586 N LEU A 40 -3.437 5.348 8.189 1.00 0.00 N ATOM 587 CA LEU A 40 -2.630 4.262 8.735 1.00 0.00 C ATOM 588 C LEU A 40 -2.605 3.071 7.783 1.00 0.00 C ATOM 589 O LEU A 40 -1.563 2.447 7.579 1.00 0.00 O ATOM 590 CB LEU A 40 -3.175 3.830 10.097 1.00 0.00 C ATOM 591 CG LEU A 40 -2.916 4.789 11.259 1.00 0.00 C ATOM 592 CD1 LEU A 40 -3.845 4.480 12.424 1.00 0.00 C ATOM 593 CD2 LEU A 40 -1.462 4.713 11.700 1.00 0.00 C ATOM 0 H LEU A 40 -4.431 5.288 8.412 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.610 4.626 8.858 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.251 3.684 10.006 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.743 2.862 10.348 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.119 5.804 10.918 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.646 5.173 13.242 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.881 4.587 12.102 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.675 3.459 12.764 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.296 5.402 12.528 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.232 3.697 12.022 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.814 4.985 10.866 1.00 0.00 H new ATOM 605 N LYS A 41 -3.758 2.761 7.200 1.00 0.00 N ATOM 606 CA LYS A 41 -3.869 1.647 6.266 1.00 0.00 C ATOM 607 C LYS A 41 -3.011 1.888 5.028 1.00 0.00 C ATOM 608 O LYS A 41 -2.499 0.946 4.422 1.00 0.00 O ATOM 609 CB LYS A 41 -5.329 1.442 5.856 1.00 0.00 C ATOM 610 CG LYS A 41 -5.729 2.225 4.618 1.00 0.00 C ATOM 611 CD LYS A 41 -7.236 2.234 4.426 1.00 0.00 C ATOM 612 CE LYS A 41 -7.750 0.870 3.990 1.00 0.00 C ATOM 613 NZ LYS A 41 -9.228 0.762 4.135 1.00 0.00 N ATOM 0 H LYS A 41 -4.630 3.266 7.358 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.509 0.748 6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.501 0.381 5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.975 1.734 6.684 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.366 3.249 4.701 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.252 1.788 3.740 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.721 2.526 5.357 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.504 2.981 3.679 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.473 0.693 2.951 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.269 0.094 4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.539 -0.182 3.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.491 0.906 5.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.688 1.486 3.548 1.00 0.00 H new ATOM 627 N LEU A 42 -2.857 3.154 4.657 1.00 0.00 N ATOM 628 CA LEU A 42 -2.060 3.519 3.492 1.00 0.00 C ATOM 629 C LEU A 42 -0.569 3.413 3.797 1.00 0.00 C ATOM 630 O LEU A 42 0.240 3.145 2.908 1.00 0.00 O ATOM 631 CB LEU A 42 -2.400 4.941 3.041 1.00 0.00 C ATOM 632 CG LEU A 42 -3.523 5.068 2.011 1.00 0.00 C ATOM 633 CD1 LEU A 42 -3.217 4.226 0.782 1.00 0.00 C ATOM 634 CD2 LEU A 42 -4.855 4.659 2.622 1.00 0.00 C ATOM 0 H LEU A 42 -3.274 3.946 5.147 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.298 2.823 2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.673 5.524 3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.500 5.394 2.625 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.592 6.111 1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.027 4.329 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.284 4.565 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.120 3.180 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.643 4.756 1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.799 3.624 2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.079 5.304 3.471 1.00 0.00 H new ATOM 646 N TYR A 43 -0.213 3.623 5.059 1.00 0.00 N ATOM 647 CA TYR A 43 1.181 3.551 5.482 1.00 0.00 C ATOM 648 C TYR A 43 1.580 2.113 5.802 1.00 0.00 C ATOM 649 O TYR A 43 2.711 1.701 5.550 1.00 0.00 O ATOM 650 CB TYR A 43 1.411 4.440 6.705 1.00 0.00 C ATOM 651 CG TYR A 43 2.472 3.914 7.645 1.00 0.00 C ATOM 652 CD1 TYR A 43 2.145 3.041 8.675 1.00 0.00 C ATOM 653 CD2 TYR A 43 3.802 4.291 7.503 1.00 0.00 C ATOM 654 CE1 TYR A 43 3.111 2.559 9.536 1.00 0.00 C ATOM 655 CE2 TYR A 43 4.775 3.812 8.359 1.00 0.00 C ATOM 656 CZ TYR A 43 4.425 2.947 9.374 1.00 0.00 C ATOM 657 OH TYR A 43 5.391 2.468 10.229 1.00 0.00 O ATOM 0 H TYR A 43 -0.870 3.844 5.807 1.00 0.00 H new ATOM 0 HA TYR A 43 1.802 3.907 4.660 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.696 5.437 6.370 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.473 4.543 7.250 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.118 2.734 8.805 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.080 4.970 6.710 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.839 1.882 10.332 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.804 4.114 8.234 1.00 0.00 H new ATOM 0 HH TYR A 43 5.135 1.576 10.545 1.00 0.00 H new ATOM 667 N ALA A 44 0.640 1.356 6.359 1.00 0.00 N ATOM 668 CA ALA A 44 0.891 -0.036 6.712 1.00 0.00 C ATOM 669 C ALA A 44 1.386 -0.827 5.506 1.00 0.00 C ATOM 670 O ALA A 44 2.365 -1.569 5.596 1.00 0.00 O ATOM 671 CB ALA A 44 -0.368 -0.671 7.282 1.00 0.00 C ATOM 0 H ALA A 44 -0.302 1.683 6.575 1.00 0.00 H new ATOM 0 HA ALA A 44 1.671 -0.057 7.473 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.166 -1.710 7.541 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.677 -0.128 8.175 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.164 -0.631 6.539 1.00 0.00 H new ATOM 677 N LEU A 45 0.703 -0.666 4.378 1.00 0.00 N ATOM 678 CA LEU A 45 1.073 -1.366 3.153 1.00 0.00 C ATOM 679 C LEU A 45 2.383 -0.825 2.590 1.00 0.00 C ATOM 680 O LEU A 45 3.283 -1.589 2.239 1.00 0.00 O ATOM 681 CB LEU A 45 -0.037 -1.231 2.109 1.00 0.00 C ATOM 682 CG LEU A 45 -1.242 -2.155 2.288 1.00 0.00 C ATOM 683 CD1 LEU A 45 -0.788 -3.558 2.659 1.00 0.00 C ATOM 684 CD2 LEU A 45 -2.188 -1.601 3.344 1.00 0.00 C ATOM 0 H LEU A 45 -0.110 -0.057 4.286 1.00 0.00 H new ATOM 0 HA LEU A 45 1.210 -2.420 3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.391 -0.200 2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.393 -1.414 1.124 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.779 -2.208 1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.659 -4.202 2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.152 -3.956 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.227 -3.524 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.040 -2.272 3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.663 -1.517 4.295 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.540 -0.616 3.036 1.00 0.00 H new ATOM 696 N TYR A 46 2.485 0.497 2.509 1.00 0.00 N ATOM 697 CA TYR A 46 3.685 1.141 1.990 1.00 0.00 C ATOM 698 C TYR A 46 4.942 0.502 2.573 1.00 0.00 C ATOM 699 O TYR A 46 5.827 0.062 1.839 1.00 0.00 O ATOM 700 CB TYR A 46 3.666 2.637 2.308 1.00 0.00 C ATOM 701 CG TYR A 46 4.981 3.331 2.038 1.00 0.00 C ATOM 702 CD1 TYR A 46 5.361 3.662 0.743 1.00 0.00 C ATOM 703 CD2 TYR A 46 5.845 3.655 3.076 1.00 0.00 C ATOM 704 CE1 TYR A 46 6.562 4.296 0.490 1.00 0.00 C ATOM 705 CE2 TYR A 46 7.048 4.290 2.833 1.00 0.00 C ATOM 706 CZ TYR A 46 7.402 4.608 1.539 1.00 0.00 C ATOM 707 OH TYR A 46 8.600 5.239 1.293 1.00 0.00 O ATOM 0 H TYR A 46 1.750 1.144 2.796 1.00 0.00 H new ATOM 0 HA TYR A 46 3.699 1.007 0.908 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.885 3.115 1.717 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.402 2.773 3.357 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.706 3.419 -0.080 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.572 3.406 4.091 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.842 4.546 -0.523 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.707 4.536 3.652 1.00 0.00 H new ATOM 0 HH TYR A 46 9.071 5.388 2.139 1.00 0.00 H new ATOM 717 N LYS A 47 5.013 0.454 3.899 1.00 0.00 N ATOM 718 CA LYS A 47 6.159 -0.132 4.583 1.00 0.00 C ATOM 719 C LYS A 47 6.200 -1.643 4.380 1.00 0.00 C ATOM 720 O LYS A 47 7.228 -2.281 4.605 1.00 0.00 O ATOM 721 CB LYS A 47 6.106 0.190 6.078 1.00 0.00 C ATOM 722 CG LYS A 47 6.134 1.679 6.381 1.00 0.00 C ATOM 723 CD LYS A 47 7.517 2.267 6.156 1.00 0.00 C ATOM 724 CE LYS A 47 8.391 2.124 7.392 1.00 0.00 C ATOM 725 NZ LYS A 47 8.235 3.279 8.319 1.00 0.00 N ATOM 0 H LYS A 47 4.290 0.814 4.521 1.00 0.00 H new ATOM 0 HA LYS A 47 7.064 0.299 4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.199 -0.242 6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.950 -0.289 6.575 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.411 2.194 5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.830 1.847 7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.993 1.767 5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.427 3.321 5.893 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.134 1.202 7.914 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.435 2.039 7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.080 3.358 8.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.119 4.153 7.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.397 3.133 8.918 1.00 0.00 H new ATOM 739 N GLN A 48 5.075 -2.209 3.952 1.00 0.00 N ATOM 740 CA GLN A 48 4.984 -3.645 3.718 1.00 0.00 C ATOM 741 C GLN A 48 5.398 -3.991 2.292 1.00 0.00 C ATOM 742 O GLN A 48 5.827 -5.111 2.014 1.00 0.00 O ATOM 743 CB GLN A 48 3.560 -4.137 3.982 1.00 0.00 C ATOM 744 CG GLN A 48 3.456 -5.646 4.134 1.00 0.00 C ATOM 745 CD GLN A 48 3.714 -6.109 5.554 1.00 0.00 C ATOM 746 OE1 GLN A 48 3.776 -5.301 6.481 1.00 0.00 O ATOM 747 NE2 GLN A 48 3.866 -7.416 5.733 1.00 0.00 N ATOM 0 H GLN A 48 4.215 -1.695 3.761 1.00 0.00 H new ATOM 0 HA GLN A 48 5.666 -4.144 4.406 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.182 -3.662 4.888 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.916 -3.818 3.162 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.462 -5.971 3.825 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.170 -6.125 3.464 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.807 -8.050 4.936 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.042 -7.786 6.667 1.00 0.00 H new ATOM 756 N ALA A 49 5.266 -3.023 1.391 1.00 0.00 N ATOM 757 CA ALA A 49 5.629 -3.225 -0.006 1.00 0.00 C ATOM 758 C ALA A 49 7.000 -2.632 -0.309 1.00 0.00 C ATOM 759 O ALA A 49 7.449 -2.631 -1.456 1.00 0.00 O ATOM 760 CB ALA A 49 4.574 -2.616 -0.918 1.00 0.00 C ATOM 0 H ALA A 49 4.910 -2.091 1.604 1.00 0.00 H new ATOM 0 HA ALA A 49 5.679 -4.298 -0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.858 -2.774 -1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.611 -3.090 -0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.497 -1.547 -0.721 1.00 0.00 H new ATOM 766 N THR A 50 7.664 -2.127 0.726 1.00 0.00 N ATOM 767 CA THR A 50 8.983 -1.529 0.570 1.00 0.00 C ATOM 768 C THR A 50 9.999 -2.190 1.495 1.00 0.00 C ATOM 769 O THR A 50 11.130 -2.462 1.095 1.00 0.00 O ATOM 770 CB THR A 50 8.952 -0.016 0.859 1.00 0.00 C ATOM 771 OG1 THR A 50 8.393 0.224 2.155 1.00 0.00 O ATOM 772 CG2 THR A 50 8.137 0.719 -0.195 1.00 0.00 C ATOM 0 H THR A 50 7.309 -2.121 1.682 1.00 0.00 H new ATOM 0 HA THR A 50 9.281 -1.688 -0.466 1.00 0.00 H new ATOM 0 HB THR A 50 9.975 0.358 0.831 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.465 0.524 2.060 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.129 1.786 0.030 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.582 0.558 -1.177 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.115 0.340 -0.194 1.00 0.00 H new ATOM 780 N GLU A 51 9.587 -2.446 2.733 1.00 0.00 N ATOM 781 CA GLU A 51 10.464 -3.075 3.714 1.00 0.00 C ATOM 782 C GLU A 51 10.048 -4.522 3.965 1.00 0.00 C ATOM 783 O GLU A 51 10.892 -5.408 4.094 1.00 0.00 O ATOM 784 CB GLU A 51 10.441 -2.291 5.028 1.00 0.00 C ATOM 785 CG GLU A 51 10.599 -0.791 4.844 1.00 0.00 C ATOM 786 CD GLU A 51 11.271 -0.126 6.029 1.00 0.00 C ATOM 787 OE1 GLU A 51 11.893 -0.844 6.839 1.00 0.00 O ATOM 788 OE2 GLU A 51 11.175 1.114 6.146 1.00 0.00 O ATOM 0 H GLU A 51 8.653 -2.228 3.080 1.00 0.00 H new ATOM 0 HA GLU A 51 11.478 -3.070 3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.501 -2.488 5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.240 -2.656 5.673 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.184 -0.599 3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.618 -0.342 4.689 1.00 0.00 H new ATOM 795 N GLY A 52 8.741 -4.753 4.033 1.00 0.00 N ATOM 796 CA GLY A 52 8.236 -6.093 4.269 1.00 0.00 C ATOM 797 C GLY A 52 7.439 -6.194 5.554 1.00 0.00 C ATOM 798 O GLY A 52 6.738 -5.263 5.950 1.00 0.00 O ATOM 0 H GLY A 52 8.023 -4.036 3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.608 -6.394 3.431 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.072 -6.791 4.308 1.00 0.00 H new ATOM 802 N PRO A 53 7.541 -7.349 6.229 1.00 0.00 N ATOM 803 CA PRO A 53 6.830 -7.596 7.487 1.00 0.00 C ATOM 804 C PRO A 53 7.381 -6.762 8.638 1.00 0.00 C ATOM 805 O PRO A 53 8.594 -6.591 8.768 1.00 0.00 O ATOM 806 CB PRO A 53 7.071 -9.086 7.743 1.00 0.00 C ATOM 807 CG PRO A 53 8.340 -9.394 7.026 1.00 0.00 C ATOM 808 CD PRO A 53 8.359 -8.502 5.816 1.00 0.00 C ATOM 0 HA PRO A 53 5.776 -7.325 7.420 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.158 -9.295 8.809 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.246 -9.691 7.366 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.204 -9.206 7.663 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.380 -10.444 6.737 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.374 -8.202 5.554 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.939 -9.001 4.943 1.00 0.00 H new ATOM 816 N CYS A 54 6.484 -6.246 9.470 1.00 0.00 N ATOM 817 CA CYS A 54 6.881 -5.428 10.611 1.00 0.00 C ATOM 818 C CYS A 54 8.003 -6.099 11.397 1.00 0.00 C ATOM 819 O CYS A 54 7.772 -7.057 12.133 1.00 0.00 O ATOM 820 CB CYS A 54 5.682 -5.176 11.526 1.00 0.00 C ATOM 821 SG CYS A 54 6.115 -4.468 13.133 1.00 0.00 S ATOM 0 H CYS A 54 5.477 -6.379 9.376 1.00 0.00 H new ATOM 0 HA CYS A 54 7.247 -4.474 10.232 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.988 -4.505 11.021 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.156 -6.117 11.686 1.00 0.00 H new ATOM 0 HG CYS A 54 5.423 -3.385 13.331 1.00 0.00 H new ATOM 827 N ASN A 55 9.220 -5.590 11.232 1.00 0.00 N ATOM 828 CA ASN A 55 10.379 -6.142 11.925 1.00 0.00 C ATOM 829 C ASN A 55 10.993 -5.110 12.866 1.00 0.00 C ATOM 830 O ASN A 55 12.099 -5.297 13.371 1.00 0.00 O ATOM 831 CB ASN A 55 11.426 -6.613 10.913 1.00 0.00 C ATOM 832 CG ASN A 55 12.082 -5.459 10.180 1.00 0.00 C ATOM 833 OD1 ASN A 55 12.978 -4.802 10.710 1.00 0.00 O ATOM 834 ND2 ASN A 55 11.637 -5.207 8.955 1.00 0.00 N ATOM 0 H ASN A 55 9.429 -4.797 10.625 1.00 0.00 H new ATOM 0 HA ASN A 55 10.046 -6.994 12.518 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.191 -7.194 11.429 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.955 -7.278 10.190 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.040 -4.442 8.413 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.892 -5.778 8.555 1.00 0.00 H new ATOM 841 N MET A 56 10.265 -4.022 13.097 1.00 0.00 N ATOM 842 CA MET A 56 10.738 -2.961 13.980 1.00 0.00 C ATOM 843 C MET A 56 10.303 -3.218 15.419 1.00 0.00 C ATOM 844 O MET A 56 9.325 -3.918 15.682 1.00 0.00 O ATOM 845 CB MET A 56 10.210 -1.605 13.509 1.00 0.00 C ATOM 846 CG MET A 56 8.744 -1.629 13.107 1.00 0.00 C ATOM 847 SD MET A 56 8.095 0.015 12.749 1.00 0.00 S ATOM 848 CE MET A 56 8.522 0.883 14.256 1.00 0.00 C ATOM 0 H MET A 56 9.347 -3.852 12.686 1.00 0.00 H new ATOM 0 HA MET A 56 11.827 -2.951 13.945 1.00 0.00 H new ATOM 0 HB2 MET A 56 10.348 -0.874 14.306 1.00 0.00 H new ATOM 0 HB3 MET A 56 10.805 -1.267 12.661 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.623 -2.263 12.228 1.00 0.00 H new ATOM 0 HG3 MET A 56 8.159 -2.080 13.908 1.00 0.00 H new ATOM 0 HE1 MET A 56 7.761 1.633 14.472 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.576 0.173 15.082 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.489 1.371 14.133 1.00 0.00 H new ATOM 858 N PRO A 57 11.045 -2.639 16.374 1.00 0.00 N ATOM 859 CA PRO A 57 10.755 -2.790 17.803 1.00 0.00 C ATOM 860 C PRO A 57 9.480 -2.063 18.216 1.00 0.00 C ATOM 861 O PRO A 57 9.277 -0.899 17.870 1.00 0.00 O ATOM 862 CB PRO A 57 11.973 -2.160 18.482 1.00 0.00 C ATOM 863 CG PRO A 57 12.504 -1.190 17.483 1.00 0.00 C ATOM 864 CD PRO A 57 12.225 -1.791 16.134 1.00 0.00 C ATOM 0 HA PRO A 57 10.589 -3.832 18.076 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.695 -1.660 19.410 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.718 -2.914 18.737 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.019 -0.219 17.586 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.573 -1.029 17.625 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.023 -1.024 15.387 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.071 -2.374 15.771 1.00 0.00 H new ATOM 872 N LYS A 58 8.622 -2.755 18.958 1.00 0.00 N ATOM 873 CA LYS A 58 7.367 -2.175 19.420 1.00 0.00 C ATOM 874 C LYS A 58 7.621 -0.931 20.265 1.00 0.00 C ATOM 875 O LYS A 58 8.349 -0.963 21.258 1.00 0.00 O ATOM 876 CB LYS A 58 6.575 -3.203 20.232 1.00 0.00 C ATOM 877 CG LYS A 58 5.123 -2.816 20.451 1.00 0.00 C ATOM 878 CD LYS A 58 4.276 -4.020 20.828 1.00 0.00 C ATOM 879 CE LYS A 58 2.826 -3.629 21.068 1.00 0.00 C ATOM 880 NZ LYS A 58 1.999 -4.794 21.486 1.00 0.00 N ATOM 0 H LYS A 58 8.774 -3.720 19.252 1.00 0.00 H new ATOM 0 HA LYS A 58 6.785 -1.886 18.545 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.613 -4.165 19.721 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.057 -3.338 21.201 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.060 -2.065 21.239 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.726 -2.360 19.544 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.326 -4.765 20.034 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.682 -4.485 21.727 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.781 -2.857 21.836 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.411 -3.197 20.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.018 -4.486 21.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.021 -5.520 20.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.379 -5.191 22.369 1.00 0.00 H new ATOM 894 N PRO A 59 7.008 0.193 19.864 1.00 0.00 N ATOM 895 CA PRO A 59 7.151 1.468 20.572 1.00 0.00 C ATOM 896 C PRO A 59 6.459 1.458 21.931 1.00 0.00 C ATOM 897 O PRO A 59 5.772 0.500 22.281 1.00 0.00 O ATOM 898 CB PRO A 59 6.474 2.472 19.635 1.00 0.00 C ATOM 899 CG PRO A 59 5.500 1.661 18.852 1.00 0.00 C ATOM 900 CD PRO A 59 6.126 0.304 18.690 1.00 0.00 C ATOM 0 HA PRO A 59 8.194 1.700 20.786 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.972 3.261 20.196 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.200 2.957 18.983 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.544 1.590 19.372 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.302 2.118 17.882 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.375 -0.486 18.675 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.686 0.228 17.758 1.00 0.00 H new ATOM 908 N GLY A 60 6.646 2.532 22.693 1.00 0.00 N ATOM 909 CA GLY A 60 6.032 2.626 24.005 1.00 0.00 C ATOM 910 C GLY A 60 4.762 3.453 23.993 1.00 0.00 C ATOM 911 O GLY A 60 4.539 4.248 23.081 1.00 0.00 O ATOM 0 H GLY A 60 7.211 3.338 22.425 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.806 1.624 24.369 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.742 3.067 24.704 1.00 0.00 H new ATOM 915 N VAL A 61 3.926 3.264 25.009 1.00 0.00 N ATOM 916 CA VAL A 61 2.670 3.998 25.112 1.00 0.00 C ATOM 917 C VAL A 61 2.874 5.480 24.817 1.00 0.00 C ATOM 918 O VAL A 61 2.267 6.031 23.899 1.00 0.00 O ATOM 919 CB VAL A 61 2.044 3.846 26.511 1.00 0.00 C ATOM 920 CG1 VAL A 61 1.360 2.495 26.646 1.00 0.00 C ATOM 921 CG2 VAL A 61 3.101 4.028 27.590 1.00 0.00 C ATOM 0 H VAL A 61 4.096 2.609 25.772 1.00 0.00 H new ATOM 0 HA VAL A 61 1.993 3.573 24.371 1.00 0.00 H new ATOM 0 HB VAL A 61 1.290 4.622 26.639 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.924 2.406 27.641 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.574 2.409 25.896 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.091 1.700 26.498 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.641 3.917 28.572 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.880 3.275 27.467 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.540 5.022 27.505 1.00 0.00 H new ATOM 931 N PHE A 62 3.734 6.121 25.602 1.00 0.00 N ATOM 932 CA PHE A 62 4.019 7.540 25.425 1.00 0.00 C ATOM 933 C PHE A 62 4.112 7.896 23.944 1.00 0.00 C ATOM 934 O PHE A 62 3.622 8.940 23.514 1.00 0.00 O ATOM 935 CB PHE A 62 5.323 7.913 26.134 1.00 0.00 C ATOM 936 CG PHE A 62 5.188 8.007 27.627 1.00 0.00 C ATOM 937 CD1 PHE A 62 5.194 6.863 28.410 1.00 0.00 C ATOM 938 CD2 PHE A 62 5.054 9.238 28.248 1.00 0.00 C ATOM 939 CE1 PHE A 62 5.070 6.946 29.784 1.00 0.00 C ATOM 940 CE2 PHE A 62 4.930 9.327 29.621 1.00 0.00 C ATOM 941 CZ PHE A 62 4.937 8.180 30.390 1.00 0.00 C ATOM 0 H PHE A 62 4.245 5.680 26.367 1.00 0.00 H new ATOM 0 HA PHE A 62 3.199 8.107 25.866 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.084 7.171 25.892 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.676 8.869 25.748 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.297 5.896 27.941 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.046 10.139 27.652 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.077 6.047 30.383 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.828 10.293 30.093 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.839 8.248 31.463 1.00 0.00 H new ATOM 951 N ASP A 63 4.745 7.021 23.171 1.00 0.00 N ATOM 952 CA ASP A 63 4.903 7.242 21.738 1.00 0.00 C ATOM 953 C ASP A 63 3.659 6.791 20.978 1.00 0.00 C ATOM 954 O ASP A 63 3.703 5.832 20.207 1.00 0.00 O ATOM 955 CB ASP A 63 6.132 6.494 21.218 1.00 0.00 C ATOM 956 CG ASP A 63 7.418 7.263 21.449 1.00 0.00 C ATOM 957 OD1 ASP A 63 7.579 8.345 20.846 1.00 0.00 O ATOM 958 OD2 ASP A 63 8.265 6.782 22.232 1.00 0.00 O ATOM 0 H ASP A 63 5.157 6.152 23.512 1.00 0.00 H new ATOM 0 HA ASP A 63 5.040 8.311 21.573 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.199 5.524 21.710 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.013 6.303 20.152 1.00 0.00 H new ATOM 963 N LEU A 64 2.551 7.489 21.203 1.00 0.00 N ATOM 964 CA LEU A 64 1.293 7.160 20.540 1.00 0.00 C ATOM 965 C LEU A 64 1.425 7.290 19.026 1.00 0.00 C ATOM 966 O LEU A 64 0.718 6.622 18.272 1.00 0.00 O ATOM 967 CB LEU A 64 0.174 8.072 21.046 1.00 0.00 C ATOM 968 CG LEU A 64 0.098 8.263 22.561 1.00 0.00 C ATOM 969 CD1 LEU A 64 -0.979 9.276 22.918 1.00 0.00 C ATOM 970 CD2 LEU A 64 -0.167 6.934 23.254 1.00 0.00 C ATOM 0 H LEU A 64 2.498 8.285 21.838 1.00 0.00 H new ATOM 0 HA LEU A 64 1.045 6.125 20.777 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.293 9.051 20.582 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.779 7.670 20.702 1.00 0.00 H new ATOM 0 HG LEU A 64 1.058 8.646 22.908 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.018 9.399 24.000 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.746 10.234 22.452 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.945 8.922 22.558 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.218 7.089 24.332 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.113 6.522 22.902 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.640 6.237 23.026 1.00 0.00 H new ATOM 982 N ILE A 65 2.337 8.152 18.589 1.00 0.00 N ATOM 983 CA ILE A 65 2.564 8.367 17.165 1.00 0.00 C ATOM 984 C ILE A 65 3.088 7.101 16.495 1.00 0.00 C ATOM 985 O ILE A 65 2.551 6.655 15.482 1.00 0.00 O ATOM 986 CB ILE A 65 3.561 9.514 16.921 1.00 0.00 C ATOM 987 CG1 ILE A 65 3.056 10.805 17.568 1.00 0.00 C ATOM 988 CG2 ILE A 65 3.783 9.715 15.429 1.00 0.00 C ATOM 989 CD1 ILE A 65 1.760 11.312 16.974 1.00 0.00 C ATOM 0 H ILE A 65 2.931 8.713 19.200 1.00 0.00 H new ATOM 0 HA ILE A 65 1.602 8.635 16.729 1.00 0.00 H new ATOM 0 HB ILE A 65 4.514 9.250 17.378 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.915 10.636 18.636 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.820 11.576 17.465 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.490 10.529 15.273 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.183 8.799 14.994 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.835 9.961 14.950 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.462 12.230 17.481 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.901 11.513 15.912 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.982 10.559 17.101 1.00 0.00 H new ATOM 1001 N ASN A 66 4.139 6.526 17.070 1.00 0.00 N ATOM 1002 CA ASN A 66 4.736 5.310 16.529 1.00 0.00 C ATOM 1003 C ASN A 66 3.860 4.096 16.824 1.00 0.00 C ATOM 1004 O ASN A 66 3.768 3.171 16.017 1.00 0.00 O ATOM 1005 CB ASN A 66 6.133 5.099 17.114 1.00 0.00 C ATOM 1006 CG ASN A 66 7.163 6.028 16.502 1.00 0.00 C ATOM 1007 OD1 ASN A 66 7.384 6.017 15.291 1.00 0.00 O ATOM 1008 ND2 ASN A 66 7.800 6.839 17.339 1.00 0.00 N ATOM 0 H ASN A 66 4.595 6.882 17.910 1.00 0.00 H new ATOM 0 HA ASN A 66 4.816 5.424 15.448 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.100 5.257 18.192 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.439 4.065 16.953 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.504 7.486 16.985 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.585 6.814 18.336 1.00 0.00 H new ATOM 1015 N LYS A 67 3.215 4.107 17.986 1.00 0.00 N ATOM 1016 CA LYS A 67 2.344 3.010 18.389 1.00 0.00 C ATOM 1017 C LYS A 67 1.178 2.857 17.419 1.00 0.00 C ATOM 1018 O LYS A 67 0.752 1.743 17.116 1.00 0.00 O ATOM 1019 CB LYS A 67 1.816 3.244 19.806 1.00 0.00 C ATOM 1020 CG LYS A 67 1.501 1.963 20.558 1.00 0.00 C ATOM 1021 CD LYS A 67 2.768 1.213 20.936 1.00 0.00 C ATOM 1022 CE LYS A 67 2.578 0.406 22.211 1.00 0.00 C ATOM 1023 NZ LYS A 67 2.927 1.196 23.425 1.00 0.00 N ATOM 0 H LYS A 67 3.280 4.865 18.666 1.00 0.00 H new ATOM 0 HA LYS A 67 2.929 2.090 18.374 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.554 3.814 20.370 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.915 3.855 19.752 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.934 2.199 21.459 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.869 1.324 19.941 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.055 0.547 20.122 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.585 1.922 21.071 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.542 0.074 22.279 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.198 -0.489 22.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.251 0.981 24.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.888 0.949 23.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.886 2.211 23.202 1.00 0.00 H new ATOM 1037 N ALA A 68 0.666 3.983 16.933 1.00 0.00 N ATOM 1038 CA ALA A 68 -0.449 3.974 15.994 1.00 0.00 C ATOM 1039 C ALA A 68 -0.058 3.297 14.685 1.00 0.00 C ATOM 1040 O ALA A 68 -0.811 2.487 14.144 1.00 0.00 O ATOM 1041 CB ALA A 68 -0.931 5.393 15.734 1.00 0.00 C ATOM 0 H ALA A 68 1.006 4.914 17.174 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.263 3.402 16.439 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.764 5.371 15.031 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.259 5.843 16.671 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.116 5.983 15.313 1.00 0.00 H new ATOM 1047 N LYS A 69 1.123 3.634 14.180 1.00 0.00 N ATOM 1048 CA LYS A 69 1.615 3.059 12.933 1.00 0.00 C ATOM 1049 C LYS A 69 2.016 1.600 13.128 1.00 0.00 C ATOM 1050 O LYS A 69 1.659 0.736 12.327 1.00 0.00 O ATOM 1051 CB LYS A 69 2.810 3.861 12.414 1.00 0.00 C ATOM 1052 CG LYS A 69 2.421 4.998 11.485 1.00 0.00 C ATOM 1053 CD LYS A 69 2.117 6.271 12.258 1.00 0.00 C ATOM 1054 CE LYS A 69 1.555 7.353 11.349 1.00 0.00 C ATOM 1055 NZ LYS A 69 0.837 8.406 12.119 1.00 0.00 N ATOM 0 H LYS A 69 1.758 4.303 14.615 1.00 0.00 H new ATOM 0 HA LYS A 69 0.810 3.102 12.200 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.360 4.268 13.262 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.488 3.188 11.888 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.230 5.185 10.779 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.548 4.709 10.901 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.403 6.054 13.052 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.026 6.633 12.737 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.367 7.808 10.781 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.874 6.903 10.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.469 9.125 11.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.047 7.976 12.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.493 8.853 12.791 1.00 0.00 H new ATOM 1069 N TRP A 70 2.756 1.332 14.198 1.00 0.00 N ATOM 1070 CA TRP A 70 3.203 -0.023 14.498 1.00 0.00 C ATOM 1071 C TRP A 70 2.046 -1.011 14.405 1.00 0.00 C ATOM 1072 O TRP A 70 2.203 -2.119 13.891 1.00 0.00 O ATOM 1073 CB TRP A 70 3.827 -0.079 15.894 1.00 0.00 C ATOM 1074 CG TRP A 70 4.716 -1.268 16.100 1.00 0.00 C ATOM 1075 CD1 TRP A 70 6.034 -1.374 15.761 1.00 0.00 C ATOM 1076 CD2 TRP A 70 4.349 -2.520 16.691 1.00 0.00 C ATOM 1077 NE1 TRP A 70 6.509 -2.617 16.105 1.00 0.00 N ATOM 1078 CE2 TRP A 70 5.496 -3.338 16.678 1.00 0.00 C ATOM 1079 CE3 TRP A 70 3.165 -3.028 17.231 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 5.490 -4.635 17.184 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 3.160 -4.316 17.732 1.00 0.00 C ATOM 1082 CH2 TRP A 70 4.316 -5.108 17.706 1.00 0.00 C ATOM 0 H TRP A 70 3.059 2.035 14.872 1.00 0.00 H new ATOM 0 HA TRP A 70 3.955 -0.303 13.760 1.00 0.00 H new ATOM 0 HB2 TRP A 70 4.404 0.830 16.063 1.00 0.00 H new ATOM 0 HB3 TRP A 70 3.032 -0.095 16.639 1.00 0.00 H new ATOM 0 HD1 TRP A 70 6.618 -0.596 15.292 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.462 -2.949 15.957 1.00 0.00 H new ATOM 0 HE3 TRP A 70 2.269 -2.425 17.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 6.380 -5.246 17.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 2.250 -4.719 18.151 1.00 0.00 H new ATOM 0 HH2 TRP A 70 4.280 -6.111 18.105 1.00 0.00 H new ATOM 1093 N ASP A 71 0.884 -0.604 14.904 1.00 0.00 N ATOM 1094 CA ASP A 71 -0.300 -1.454 14.875 1.00 0.00 C ATOM 1095 C ASP A 71 -0.848 -1.575 13.457 1.00 0.00 C ATOM 1096 O ASP A 71 -1.506 -2.558 13.117 1.00 0.00 O ATOM 1097 CB ASP A 71 -1.378 -0.895 15.805 1.00 0.00 C ATOM 1098 CG ASP A 71 -1.177 -1.321 17.246 1.00 0.00 C ATOM 1099 OD1 ASP A 71 -0.013 -1.359 17.697 1.00 0.00 O ATOM 1100 OD2 ASP A 71 -2.184 -1.617 17.924 1.00 0.00 O ATOM 0 H ASP A 71 0.737 0.309 15.333 1.00 0.00 H new ATOM 0 HA ASP A 71 -0.012 -2.447 15.220 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.375 0.193 15.747 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.358 -1.230 15.463 1.00 0.00 H new ATOM 1105 N ALA A 72 -0.573 -0.569 12.634 1.00 0.00 N ATOM 1106 CA ALA A 72 -1.037 -0.563 11.252 1.00 0.00 C ATOM 1107 C ALA A 72 -0.151 -1.439 10.372 1.00 0.00 C ATOM 1108 O ALA A 72 -0.647 -2.245 9.584 1.00 0.00 O ATOM 1109 CB ALA A 72 -1.076 0.859 10.714 1.00 0.00 C ATOM 0 H ALA A 72 -0.031 0.253 12.900 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.046 -0.975 11.232 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.424 0.848 9.681 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.755 1.459 11.320 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.076 1.291 10.755 1.00 0.00 H new ATOM 1115 N TRP A 73 1.159 -1.276 10.511 1.00 0.00 N ATOM 1116 CA TRP A 73 2.113 -2.052 9.727 1.00 0.00 C ATOM 1117 C TRP A 73 2.246 -3.468 10.277 1.00 0.00 C ATOM 1118 O TRP A 73 2.461 -4.418 9.526 1.00 0.00 O ATOM 1119 CB TRP A 73 3.479 -1.364 9.722 1.00 0.00 C ATOM 1120 CG TRP A 73 4.500 -2.077 8.887 1.00 0.00 C ATOM 1121 CD1 TRP A 73 4.265 -3.053 7.961 1.00 0.00 C ATOM 1122 CD2 TRP A 73 5.917 -1.870 8.904 1.00 0.00 C ATOM 1123 NE1 TRP A 73 5.450 -3.465 7.401 1.00 0.00 N ATOM 1124 CE2 TRP A 73 6.478 -2.754 7.962 1.00 0.00 C ATOM 1125 CE3 TRP A 73 6.765 -1.022 9.621 1.00 0.00 C ATOM 1126 CZ2 TRP A 73 7.848 -2.814 7.722 1.00 0.00 C ATOM 1127 CZ3 TRP A 73 8.125 -1.083 9.382 1.00 0.00 C ATOM 1128 CH2 TRP A 73 8.656 -1.973 8.438 1.00 0.00 C ATOM 0 H TRP A 73 1.585 -0.614 11.159 1.00 0.00 H new ATOM 0 HA TRP A 73 1.740 -2.113 8.704 1.00 0.00 H new ATOM 0 HB2 TRP A 73 3.364 -0.346 9.351 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.845 -1.291 10.746 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.291 -3.444 7.706 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.548 -4.184 6.684 1.00 0.00 H new ATOM 0 HE3 TRP A 73 6.365 -0.331 10.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.259 -3.500 6.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 8.790 -0.434 9.932 1.00 0.00 H new ATOM 0 HH2 TRP A 73 9.723 -1.995 8.273 1.00 0.00 H new ATOM 1139 N ASN A 74 2.115 -3.601 11.593 1.00 0.00 N ATOM 1140 CA ASN A 74 2.221 -4.902 12.243 1.00 0.00 C ATOM 1141 C ASN A 74 1.074 -5.816 11.822 1.00 0.00 C ATOM 1142 O ASN A 74 1.294 -6.950 11.397 1.00 0.00 O ATOM 1143 CB ASN A 74 2.223 -4.737 13.765 1.00 0.00 C ATOM 1144 CG ASN A 74 2.199 -6.068 14.491 1.00 0.00 C ATOM 1145 OD1 ASN A 74 2.623 -7.090 13.951 1.00 0.00 O ATOM 1146 ND2 ASN A 74 1.702 -6.061 15.722 1.00 0.00 N ATOM 0 H ASN A 74 1.935 -2.824 12.230 1.00 0.00 H new ATOM 0 HA ASN A 74 3.160 -5.360 11.932 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.109 -4.178 14.066 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.357 -4.147 14.065 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.660 -6.927 16.260 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.362 -5.190 16.130 1.00 0.00 H new ATOM 1153 N ALA A 75 -0.150 -5.313 11.942 1.00 0.00 N ATOM 1154 CA ALA A 75 -1.332 -6.082 11.571 1.00 0.00 C ATOM 1155 C ALA A 75 -1.069 -6.928 10.330 1.00 0.00 C ATOM 1156 O ALA A 75 -1.495 -8.081 10.250 1.00 0.00 O ATOM 1157 CB ALA A 75 -2.514 -5.154 11.338 1.00 0.00 C ATOM 0 H ALA A 75 -0.349 -4.376 12.293 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.570 -6.755 12.394 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.389 -5.742 11.062 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.725 -4.597 12.251 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.277 -4.457 10.534 1.00 0.00 H new ATOM 1163 N LEU A 76 -0.365 -6.349 9.364 1.00 0.00 N ATOM 1164 CA LEU A 76 -0.045 -7.050 8.125 1.00 0.00 C ATOM 1165 C LEU A 76 0.569 -8.416 8.415 1.00 0.00 C ATOM 1166 O LEU A 76 0.085 -9.441 7.936 1.00 0.00 O ATOM 1167 CB LEU A 76 0.916 -6.216 7.277 1.00 0.00 C ATOM 1168 CG LEU A 76 0.280 -5.108 6.436 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.314 -5.681 5.159 1.00 0.00 C ATOM 1170 CD2 LEU A 76 -0.784 -4.374 7.239 1.00 0.00 C ATOM 0 H LEU A 76 -0.005 -5.396 9.414 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.972 -7.199 7.571 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.654 -5.764 7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.456 -6.887 6.609 1.00 0.00 H new ATOM 0 HG LEU A 76 1.057 -4.394 6.162 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.762 -4.878 4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.472 -6.161 4.575 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.078 -6.416 5.411 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.226 -3.589 6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.560 -5.077 7.543 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.330 -3.930 8.124 1.00 0.00 H new ATOM 1182 N GLY A 77 1.639 -8.422 9.205 1.00 0.00 N ATOM 1183 CA GLY A 77 2.301 -9.668 9.547 1.00 0.00 C ATOM 1184 C GLY A 77 3.313 -10.092 8.502 1.00 0.00 C ATOM 1185 O GLY A 77 4.150 -9.295 8.079 1.00 0.00 O ATOM 0 H GLY A 77 2.059 -7.587 9.614 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.801 -9.558 10.509 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.554 -10.453 9.664 1.00 0.00 H new ATOM 1189 N SER A 78 3.238 -11.352 8.086 1.00 0.00 N ATOM 1190 CA SER A 78 4.159 -11.884 7.088 1.00 0.00 C ATOM 1191 C SER A 78 3.633 -11.635 5.677 1.00 0.00 C ATOM 1192 O SER A 78 3.873 -12.427 4.764 1.00 0.00 O ATOM 1193 CB SER A 78 4.374 -13.382 7.307 1.00 0.00 C ATOM 1194 OG SER A 78 5.086 -13.625 8.508 1.00 0.00 O ATOM 0 H SER A 78 2.549 -12.024 8.424 1.00 0.00 H new ATOM 0 HA SER A 78 5.113 -11.368 7.199 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.410 -13.889 7.343 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.923 -13.801 6.464 1.00 0.00 H new ATOM 0 HG SER A 78 5.209 -14.590 8.626 1.00 0.00 H new ATOM 1200 N LEU A 79 2.915 -10.531 5.506 1.00 0.00 N ATOM 1201 CA LEU A 79 2.355 -10.176 4.207 1.00 0.00 C ATOM 1202 C LEU A 79 3.458 -9.808 3.220 1.00 0.00 C ATOM 1203 O LEU A 79 4.245 -8.888 3.446 1.00 0.00 O ATOM 1204 CB LEU A 79 1.376 -9.010 4.353 1.00 0.00 C ATOM 1205 CG LEU A 79 0.397 -8.806 3.196 1.00 0.00 C ATOM 1206 CD1 LEU A 79 1.141 -8.404 1.932 1.00 0.00 C ATOM 1207 CD2 LEU A 79 -0.418 -10.069 2.958 1.00 0.00 C ATOM 0 H LEU A 79 2.707 -9.866 6.251 1.00 0.00 H new ATOM 0 HA LEU A 79 1.822 -11.044 3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.801 -9.157 5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.951 -8.093 4.482 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.287 -8.000 3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.428 -8.263 1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.680 -7.473 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.849 -9.187 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.109 -9.906 2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.252 -10.893 2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.981 -10.314 3.859 1.00 0.00 H new ATOM 1219 N PRO A 80 3.517 -10.540 2.098 1.00 0.00 N ATOM 1220 CA PRO A 80 4.518 -10.307 1.052 1.00 0.00 C ATOM 1221 C PRO A 80 4.281 -9.000 0.304 1.00 0.00 C ATOM 1222 O PRO A 80 3.178 -8.453 0.322 1.00 0.00 O ATOM 1223 CB PRO A 80 4.335 -11.502 0.114 1.00 0.00 C ATOM 1224 CG PRO A 80 2.923 -11.933 0.319 1.00 0.00 C ATOM 1225 CD PRO A 80 2.611 -11.652 1.763 1.00 0.00 C ATOM 0 HA PRO A 80 5.524 -10.220 1.462 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.517 -11.222 -0.924 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.033 -12.304 0.354 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.248 -11.386 -0.340 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.801 -12.992 0.092 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.566 -11.375 1.902 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.795 -12.524 2.391 1.00 0.00 H new ATOM 1233 N LYS A 81 5.322 -8.504 -0.355 1.00 0.00 N ATOM 1234 CA LYS A 81 5.228 -7.262 -1.113 1.00 0.00 C ATOM 1235 C LYS A 81 4.252 -7.407 -2.276 1.00 0.00 C ATOM 1236 O LYS A 81 3.427 -6.527 -2.519 1.00 0.00 O ATOM 1237 CB LYS A 81 6.606 -6.854 -1.637 1.00 0.00 C ATOM 1238 CG LYS A 81 7.661 -6.739 -0.551 1.00 0.00 C ATOM 1239 CD LYS A 81 8.979 -6.226 -1.105 1.00 0.00 C ATOM 1240 CE LYS A 81 9.987 -5.966 0.004 1.00 0.00 C ATOM 1241 NZ LYS A 81 11.390 -6.081 -0.482 1.00 0.00 N ATOM 0 H LYS A 81 6.242 -8.944 -0.380 1.00 0.00 H new ATOM 0 HA LYS A 81 4.856 -6.485 -0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.935 -7.585 -2.376 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.521 -5.897 -2.152 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.308 -6.067 0.231 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.815 -7.714 -0.088 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.388 -6.953 -1.806 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.806 -5.306 -1.664 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.826 -4.969 0.415 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.825 -6.675 0.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.046 -5.897 0.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.552 -7.040 -0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.553 -5.387 -1.239 1.00 0.00 H new ATOM 1255 N GLU A 82 4.352 -8.523 -2.991 1.00 0.00 N ATOM 1256 CA GLU A 82 3.477 -8.782 -4.128 1.00 0.00 C ATOM 1257 C GLU A 82 2.016 -8.540 -3.757 1.00 0.00 C ATOM 1258 O GLU A 82 1.212 -8.130 -4.594 1.00 0.00 O ATOM 1259 CB GLU A 82 3.657 -10.219 -4.622 1.00 0.00 C ATOM 1260 CG GLU A 82 3.897 -11.221 -3.506 1.00 0.00 C ATOM 1261 CD GLU A 82 3.692 -12.655 -3.954 1.00 0.00 C ATOM 1262 OE1 GLU A 82 3.139 -12.859 -5.055 1.00 0.00 O ATOM 1263 OE2 GLU A 82 4.086 -13.572 -3.204 1.00 0.00 O ATOM 0 H GLU A 82 5.030 -9.262 -2.803 1.00 0.00 H new ATOM 0 HA GLU A 82 3.750 -8.093 -4.928 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.769 -10.516 -5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.497 -10.253 -5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.913 -11.104 -3.130 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.224 -11.004 -2.677 1.00 0.00 H new ATOM 1270 N ALA A 83 1.681 -8.798 -2.497 1.00 0.00 N ATOM 1271 CA ALA A 83 0.319 -8.607 -2.015 1.00 0.00 C ATOM 1272 C ALA A 83 0.163 -7.250 -1.336 1.00 0.00 C ATOM 1273 O ALA A 83 -0.877 -6.603 -1.453 1.00 0.00 O ATOM 1274 CB ALA A 83 -0.063 -9.726 -1.057 1.00 0.00 C ATOM 0 H ALA A 83 2.334 -9.140 -1.792 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.352 -8.634 -2.874 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.083 -9.571 -0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.001 -10.684 -1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.619 -9.725 -0.207 1.00 0.00 H new ATOM 1280 N ALA A 84 1.203 -6.826 -0.625 1.00 0.00 N ATOM 1281 CA ALA A 84 1.180 -5.546 0.072 1.00 0.00 C ATOM 1282 C ALA A 84 1.025 -4.389 -0.910 1.00 0.00 C ATOM 1283 O ALA A 84 0.473 -3.343 -0.569 1.00 0.00 O ATOM 1284 CB ALA A 84 2.446 -5.373 0.898 1.00 0.00 C ATOM 0 H ALA A 84 2.071 -7.350 -0.517 1.00 0.00 H new ATOM 0 HA ALA A 84 0.319 -5.539 0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.416 -4.413 1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.515 -6.176 1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.316 -5.405 0.242 1.00 0.00 H new ATOM 1290 N ARG A 85 1.516 -4.584 -2.129 1.00 0.00 N ATOM 1291 CA ARG A 85 1.433 -3.556 -3.160 1.00 0.00 C ATOM 1292 C ARG A 85 0.044 -3.530 -3.791 1.00 0.00 C ATOM 1293 O ARG A 85 -0.436 -2.478 -4.213 1.00 0.00 O ATOM 1294 CB ARG A 85 2.491 -3.798 -4.238 1.00 0.00 C ATOM 1295 CG ARG A 85 3.892 -3.382 -3.821 1.00 0.00 C ATOM 1296 CD ARG A 85 4.767 -3.081 -5.028 1.00 0.00 C ATOM 1297 NE ARG A 85 5.307 -4.298 -5.629 1.00 0.00 N ATOM 1298 CZ ARG A 85 6.165 -4.298 -6.643 1.00 0.00 C ATOM 1299 NH1 ARG A 85 6.579 -3.152 -7.166 1.00 0.00 N ATOM 1300 NH2 ARG A 85 6.612 -5.447 -7.135 1.00 0.00 N ATOM 0 H ARG A 85 1.976 -5.444 -2.427 1.00 0.00 H new ATOM 0 HA ARG A 85 1.618 -2.590 -2.690 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.498 -4.857 -4.497 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.212 -3.251 -5.138 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.836 -2.501 -3.182 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.347 -4.176 -3.229 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.184 -2.537 -5.772 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.588 -2.430 -4.727 1.00 0.00 H new ATOM 0 HE ARG A 85 5.009 -5.197 -5.249 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.239 -2.267 -6.790 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.238 -3.155 -7.945 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.297 -6.330 -6.734 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.271 -5.446 -7.914 1.00 0.00 H new ATOM 1314 N GLN A 86 -0.594 -4.694 -3.853 1.00 0.00 N ATOM 1315 CA GLN A 86 -1.927 -4.804 -4.435 1.00 0.00 C ATOM 1316 C GLN A 86 -2.978 -4.211 -3.502 1.00 0.00 C ATOM 1317 O GLN A 86 -3.937 -3.585 -3.951 1.00 0.00 O ATOM 1318 CB GLN A 86 -2.258 -6.268 -4.730 1.00 0.00 C ATOM 1319 CG GLN A 86 -3.217 -6.452 -5.895 1.00 0.00 C ATOM 1320 CD GLN A 86 -4.494 -5.652 -5.731 1.00 0.00 C ATOM 1321 OE1 GLN A 86 -5.280 -5.896 -4.815 1.00 0.00 O ATOM 1322 NE2 GLN A 86 -4.709 -4.689 -6.620 1.00 0.00 N ATOM 0 H GLN A 86 -0.210 -5.574 -3.508 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.937 -4.241 -5.369 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.334 -6.805 -4.943 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.692 -6.721 -3.838 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -2.722 -6.153 -6.819 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.465 -7.509 -5.993 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.031 -4.521 -7.363 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.552 -4.118 -6.559 1.00 0.00 H new ATOM 1331 N ASN A 87 -2.791 -4.414 -2.202 1.00 0.00 N ATOM 1332 CA ASN A 87 -3.724 -3.900 -1.206 1.00 0.00 C ATOM 1333 C ASN A 87 -3.724 -2.375 -1.197 1.00 0.00 C ATOM 1334 O ASN A 87 -4.780 -1.743 -1.254 1.00 0.00 O ATOM 1335 CB ASN A 87 -3.362 -4.430 0.183 1.00 0.00 C ATOM 1336 CG ASN A 87 -3.915 -5.819 0.434 1.00 0.00 C ATOM 1337 OD1 ASN A 87 -5.127 -6.006 0.545 1.00 0.00 O ATOM 1338 ND2 ASN A 87 -3.027 -6.802 0.526 1.00 0.00 N ATOM 0 H ASN A 87 -2.002 -4.931 -1.814 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.724 -4.244 -1.469 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.277 -4.449 0.290 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.745 -3.747 0.941 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.340 -7.758 0.695 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.032 -6.601 0.428 1.00 0.00 H new ATOM 1345 N TYR A 88 -2.534 -1.789 -1.126 1.00 0.00 N ATOM 1346 CA TYR A 88 -2.396 -0.338 -1.108 1.00 0.00 C ATOM 1347 C TYR A 88 -3.214 0.301 -2.226 1.00 0.00 C ATOM 1348 O TYR A 88 -4.000 1.219 -1.990 1.00 0.00 O ATOM 1349 CB TYR A 88 -0.925 0.058 -1.247 1.00 0.00 C ATOM 1350 CG TYR A 88 -0.688 1.549 -1.160 1.00 0.00 C ATOM 1351 CD1 TYR A 88 -1.110 2.400 -2.174 1.00 0.00 C ATOM 1352 CD2 TYR A 88 -0.044 2.106 -0.063 1.00 0.00 C ATOM 1353 CE1 TYR A 88 -0.895 3.762 -2.099 1.00 0.00 C ATOM 1354 CE2 TYR A 88 0.175 3.468 0.022 1.00 0.00 C ATOM 1355 CZ TYR A 88 -0.252 4.291 -0.999 1.00 0.00 C ATOM 1356 OH TYR A 88 -0.037 5.648 -0.919 1.00 0.00 O ATOM 0 H TYR A 88 -1.651 -2.297 -1.080 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.774 0.025 -0.152 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.348 -0.439 -0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.548 -0.306 -2.203 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.615 1.989 -3.036 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.292 1.464 0.738 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.228 4.409 -2.897 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.677 3.885 0.882 1.00 0.00 H new ATOM 0 HH TYR A 88 0.427 5.857 -0.081 1.00 0.00 H new ATOM 1366 N VAL A 89 -3.025 -0.192 -3.446 1.00 0.00 N ATOM 1367 CA VAL A 89 -3.745 0.327 -4.602 1.00 0.00 C ATOM 1368 C VAL A 89 -5.242 0.068 -4.479 1.00 0.00 C ATOM 1369 O VAL A 89 -6.060 0.936 -4.782 1.00 0.00 O ATOM 1370 CB VAL A 89 -3.232 -0.300 -5.912 1.00 0.00 C ATOM 1371 CG1 VAL A 89 -1.810 0.155 -6.201 1.00 0.00 C ATOM 1372 CG2 VAL A 89 -3.311 -1.818 -5.841 1.00 0.00 C ATOM 0 H VAL A 89 -2.378 -0.951 -3.659 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.566 1.402 -4.629 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.868 0.037 -6.730 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.465 -0.298 -7.130 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.788 1.241 -6.297 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.157 -0.151 -5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.945 -2.245 -6.774 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.699 -2.176 -5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.346 -2.122 -5.684 1.00 0.00 H new ATOM 1382 N ASP A 90 -5.594 -1.133 -4.031 1.00 0.00 N ATOM 1383 CA ASP A 90 -6.993 -1.507 -3.866 1.00 0.00 C ATOM 1384 C ASP A 90 -7.756 -0.433 -3.097 1.00 0.00 C ATOM 1385 O ASP A 90 -8.939 -0.197 -3.347 1.00 0.00 O ATOM 1386 CB ASP A 90 -7.102 -2.848 -3.138 1.00 0.00 C ATOM 1387 CG ASP A 90 -7.051 -4.028 -4.088 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -6.826 -3.808 -5.297 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -7.235 -5.172 -3.623 1.00 0.00 O ATOM 0 H ASP A 90 -4.929 -1.863 -3.776 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.437 -1.603 -4.857 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.291 -2.932 -2.415 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.035 -2.878 -2.576 1.00 0.00 H new ATOM 1394 N LEU A 91 -7.073 0.213 -2.159 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.686 1.262 -1.351 1.00 0.00 C ATOM 1396 C LEU A 91 -7.864 2.541 -2.163 1.00 0.00 C ATOM 1397 O LEU A 91 -8.983 3.014 -2.359 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.833 1.545 -0.114 1.00 0.00 C ATOM 1399 CG LEU A 91 -7.403 2.560 0.877 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -7.163 3.979 0.386 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -8.888 2.314 1.097 1.00 0.00 C ATOM 0 H LEU A 91 -6.094 0.029 -1.939 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.669 0.914 -1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.670 0.605 0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.856 1.899 -0.444 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.889 2.436 1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.576 4.687 1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.092 4.151 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.649 4.117 -0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.277 3.046 1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.417 2.410 0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.035 1.310 1.495 1.00 0.00 H new ATOM 1413 N VAL A 92 -6.752 3.095 -2.636 1.00 0.00 N ATOM 1414 CA VAL A 92 -6.785 4.317 -3.430 1.00 0.00 C ATOM 1415 C VAL A 92 -7.862 4.244 -4.506 1.00 0.00 C ATOM 1416 O VAL A 92 -8.470 5.254 -4.860 1.00 0.00 O ATOM 1417 CB VAL A 92 -5.424 4.589 -4.098 1.00 0.00 C ATOM 1418 CG1 VAL A 92 -5.469 5.885 -4.893 1.00 0.00 C ATOM 1419 CG2 VAL A 92 -4.317 4.631 -3.055 1.00 0.00 C ATOM 0 H VAL A 92 -5.817 2.717 -2.483 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.015 5.134 -2.745 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.209 3.774 -4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.499 6.061 -5.358 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.234 5.811 -5.666 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.707 6.713 -4.225 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.363 4.824 -3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.524 5.425 -2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.271 3.674 -2.535 1.00 0.00 H new ATOM 1429 N SER A 93 -8.093 3.042 -5.024 1.00 0.00 N ATOM 1430 CA SER A 93 -9.095 2.837 -6.063 1.00 0.00 C ATOM 1431 C SER A 93 -10.504 2.947 -5.488 1.00 0.00 C ATOM 1432 O SER A 93 -11.436 3.366 -6.176 1.00 0.00 O ATOM 1433 CB SER A 93 -8.906 1.469 -6.720 1.00 0.00 C ATOM 1434 OG SER A 93 -9.948 1.198 -7.642 1.00 0.00 O ATOM 0 H SER A 93 -7.600 2.195 -4.741 1.00 0.00 H new ATOM 0 HA SER A 93 -8.967 3.615 -6.816 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.945 1.438 -7.233 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.883 0.694 -5.954 1.00 0.00 H new ATOM 0 HG SER A 93 -9.804 0.319 -8.050 1.00 0.00 H new ATOM 1440 N SER A 94 -10.652 2.569 -4.223 1.00 0.00 N ATOM 1441 CA SER A 94 -11.947 2.621 -3.556 1.00 0.00 C ATOM 1442 C SER A 94 -12.426 4.062 -3.411 1.00 0.00 C ATOM 1443 O SER A 94 -13.599 4.365 -3.634 1.00 0.00 O ATOM 1444 CB SER A 94 -11.863 1.959 -2.179 1.00 0.00 C ATOM 1445 OG SER A 94 -13.149 1.593 -1.709 1.00 0.00 O ATOM 0 H SER A 94 -9.891 2.223 -3.639 1.00 0.00 H new ATOM 0 HA SER A 94 -12.665 2.077 -4.169 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.228 1.075 -2.235 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.395 2.643 -1.471 1.00 0.00 H new ATOM 0 HG SER A 94 -13.067 1.171 -0.828 1.00 0.00 H new ATOM 1451 N LEU A 95 -11.510 4.948 -3.035 1.00 0.00 N ATOM 1452 CA LEU A 95 -11.837 6.359 -2.859 1.00 0.00 C ATOM 1453 C LEU A 95 -12.322 6.972 -4.169 1.00 0.00 C ATOM 1454 O LEU A 95 -13.304 7.714 -4.192 1.00 0.00 O ATOM 1455 CB LEU A 95 -10.617 7.125 -2.345 1.00 0.00 C ATOM 1456 CG LEU A 95 -10.071 6.684 -0.987 1.00 0.00 C ATOM 1457 CD1 LEU A 95 -8.662 7.218 -0.780 1.00 0.00 C ATOM 1458 CD2 LEU A 95 -10.989 7.149 0.134 1.00 0.00 C ATOM 0 H LEU A 95 -10.535 4.714 -2.846 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.640 6.432 -2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.819 7.034 -3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.876 8.182 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 95 -10.032 5.595 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.289 6.894 0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.009 6.836 -1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.676 8.307 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.584 6.826 1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -11.061 8.237 0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.980 6.718 -0.005 1.00 0.00 H new