USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 523 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 25 HIS : no HD1:sc= -6.04! K(o=-11!,f=-13) USER MOD Set 1.2: A 57 CYS SG : rot 67:sc= -0.881 USER MOD Set 1.3: A 60 CYS SG : rot -41:sc= -1.07 USER MOD Set 1.4: A 79 CYS SG : rot 103:sc= -3.28! USER MOD Set 2.1: A 38 CYS SG : rot -133:sc= -1.07 USER MOD Set 2.2: A 41 CYS SG : rot 180:sc= -0.871 USER MOD Set 2.3: A 64 CYS SG : rot 42:sc= 0.349 USER MOD Set 2.4: A 65 HIS :FLIP no HD1:sc= -5.79! C(o=-19!,f=-13!) USER MOD Set 2.5: A 68 HIS : no HE2:sc= -5.85 K(o=-13,f=-19!) USER MOD Set 3.1: A 22 HIS : no HD1:sc= -0.996 X(o=-4.4,f=-4.7) USER MOD Set 3.2: A 69 MET CE :methyl 150:sc= -3.42 (180deg=-2.29) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -58:sc= 1.26 USER MOD Single : A 23 LYS NZ :NH3+ -125:sc= 0.582 (180deg=-0.00935) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0782 USER MOD Single : A 32 TYR OH : rot 127:sc= 1.15 USER MOD Single : A 33 HIS : no HE2:sc= -1.68 X(o=-1.7,f=-1.5) USER MOD Single : A 36 THR OG1 : rot 166:sc= 1.3 USER MOD Single : A 37 ASN : amide:sc= -0.0151 K(o=-0.015,f=-0.56) USER MOD Single : A 42 MET CE :methyl 165:sc= -0.0133 (180deg=-0.421) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 MET CE :methyl 162:sc= -0.0399 (180deg=-0.399) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 63 LYS NZ :NH3+ -140:sc= -0.125 (180deg=-0.979) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 267 N ASN A 18 7.084 -2.840 8.370 1.00 0.00 N ATOM 268 CA ASN A 18 6.056 -3.548 9.124 1.00 0.00 C ATOM 269 C ASN A 18 4.884 -3.924 8.223 1.00 0.00 C ATOM 270 O ASN A 18 4.844 -3.548 7.053 1.00 0.00 O ATOM 271 CB ASN A 18 5.568 -2.688 10.292 1.00 0.00 C ATOM 272 CG ASN A 18 5.959 -3.265 11.638 1.00 0.00 C ATOM 273 OD1 ASN A 18 5.133 -3.852 12.339 1.00 0.00 O ATOM 274 ND2 ASN A 18 7.224 -3.103 12.007 1.00 0.00 N ATOM 0 HA ASN A 18 6.494 -4.465 9.518 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.980 -1.683 10.197 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.483 -2.594 10.242 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.545 -3.471 12.902 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.875 -2.610 11.395 1.00 0.00 H new ATOM 281 N TYR A 19 3.935 -4.674 8.773 1.00 0.00 N ATOM 282 CA TYR A 19 2.768 -5.101 8.012 1.00 0.00 C ATOM 283 C TYR A 19 1.488 -4.932 8.828 1.00 0.00 C ATOM 284 O TYR A 19 1.322 -5.549 9.879 1.00 0.00 O ATOM 285 CB TYR A 19 2.909 -6.561 7.562 1.00 0.00 C ATOM 286 CG TYR A 19 4.303 -7.130 7.728 1.00 0.00 C ATOM 287 CD1 TYR A 19 4.685 -7.748 8.912 1.00 0.00 C ATOM 288 CD2 TYR A 19 5.234 -7.048 6.700 1.00 0.00 C ATOM 289 CE1 TYR A 19 5.956 -8.268 9.068 1.00 0.00 C ATOM 290 CE2 TYR A 19 6.507 -7.567 6.848 1.00 0.00 C ATOM 291 CZ TYR A 19 6.863 -8.175 8.033 1.00 0.00 C ATOM 292 OH TYR A 19 8.129 -8.691 8.183 1.00 0.00 O ATOM 0 H TYR A 19 3.951 -4.998 9.740 1.00 0.00 H new ATOM 0 HA TYR A 19 2.705 -4.466 7.128 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.209 -7.174 8.130 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.621 -6.636 6.513 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.977 -7.823 9.724 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.959 -6.571 5.771 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.238 -8.745 9.995 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.219 -7.496 6.039 1.00 0.00 H new ATOM 0 HH TYR A 19 8.642 -8.544 7.361 1.00 0.00 H new ATOM 302 N ILE A 20 0.588 -4.094 8.328 1.00 0.00 N ATOM 303 CA ILE A 20 -0.680 -3.837 8.996 1.00 0.00 C ATOM 304 C ILE A 20 -1.644 -5.004 8.798 1.00 0.00 C ATOM 305 O ILE A 20 -2.133 -5.238 7.692 1.00 0.00 O ATOM 306 CB ILE A 20 -1.332 -2.542 8.464 1.00 0.00 C ATOM 307 CG1 ILE A 20 -0.492 -1.326 8.859 1.00 0.00 C ATOM 308 CG2 ILE A 20 -2.759 -2.398 8.980 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.425 -0.842 7.758 1.00 0.00 C ATOM 0 H ILE A 20 0.715 -3.579 7.457 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.472 -3.720 10.060 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.373 -2.601 7.376 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.158 -0.513 9.150 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.106 -1.577 9.735 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.196 -1.478 8.591 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.353 -3.250 8.649 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.750 -2.363 10.069 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.990 0.022 8.108 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.115 -1.639 7.483 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.168 -0.559 6.888 1.00 0.00 H new ATOM 321 N CYS A 21 -1.919 -5.727 9.879 1.00 0.00 N ATOM 322 CA CYS A 21 -2.831 -6.863 9.825 1.00 0.00 C ATOM 323 C CYS A 21 -4.279 -6.386 9.865 1.00 0.00 C ATOM 324 O CYS A 21 -4.642 -5.548 10.690 1.00 0.00 O ATOM 325 CB CYS A 21 -2.561 -7.816 10.990 1.00 0.00 C ATOM 326 SG CYS A 21 -0.890 -8.506 11.008 1.00 0.00 S ATOM 0 H CYS A 21 -1.524 -5.546 10.802 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.664 -7.395 8.889 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.734 -7.286 11.927 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.280 -8.634 10.950 1.00 0.00 H new ATOM 0 HG CYS A 21 -0.669 -9.136 9.893 1.00 0.00 H new ATOM 332 N HIS A 22 -5.101 -6.920 8.969 1.00 0.00 N ATOM 333 CA HIS A 22 -6.506 -6.540 8.907 1.00 0.00 C ATOM 334 C HIS A 22 -7.307 -7.533 8.069 1.00 0.00 C ATOM 335 O HIS A 22 -7.143 -7.603 6.855 1.00 0.00 O ATOM 336 CB HIS A 22 -6.649 -5.134 8.323 1.00 0.00 C ATOM 337 CG HIS A 22 -7.872 -4.412 8.797 1.00 0.00 C ATOM 338 ND1 HIS A 22 -8.757 -3.788 7.942 1.00 0.00 N ATOM 339 CD2 HIS A 22 -8.358 -4.215 10.046 1.00 0.00 C ATOM 340 CE1 HIS A 22 -9.732 -3.238 8.645 1.00 0.00 C ATOM 341 NE2 HIS A 22 -9.514 -3.485 9.922 1.00 0.00 N ATOM 0 H HIS A 22 -4.819 -7.615 8.278 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.902 -6.549 9.923 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.767 -4.549 8.585 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.675 -5.202 7.235 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.918 -4.567 10.968 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.565 -2.681 8.242 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.109 -3.182 10.693 1.00 0.00 H new ATOM 350 N LYS A 23 -8.184 -8.283 8.735 1.00 0.00 N ATOM 351 CA LYS A 23 -9.044 -9.277 8.080 1.00 0.00 C ATOM 352 C LYS A 23 -8.399 -9.888 6.834 1.00 0.00 C ATOM 353 O LYS A 23 -8.717 -9.505 5.710 1.00 0.00 O ATOM 354 CB LYS A 23 -10.386 -8.645 7.708 1.00 0.00 C ATOM 355 CG LYS A 23 -10.274 -7.200 7.248 1.00 0.00 C ATOM 356 CD LYS A 23 -11.361 -6.849 6.252 1.00 0.00 C ATOM 357 CE LYS A 23 -12.747 -7.020 6.852 1.00 0.00 C ATOM 358 NZ LYS A 23 -13.708 -6.008 6.329 1.00 0.00 N ATOM 0 H LYS A 23 -8.321 -8.221 9.744 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.196 -10.085 8.795 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.848 -9.234 6.916 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.051 -8.692 8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.341 -6.536 8.110 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.297 -7.036 6.794 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.232 -5.819 5.920 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.265 -7.482 5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.117 -8.021 6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.686 -6.936 7.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.141 -5.497 7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.204 -5.334 5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.451 -6.486 5.780 1.00 0.00 H new ATOM 372 N GLY A 24 -7.507 -10.850 7.042 1.00 0.00 N ATOM 373 CA GLY A 24 -6.850 -11.508 5.927 1.00 0.00 C ATOM 374 C GLY A 24 -6.014 -10.571 5.074 1.00 0.00 C ATOM 375 O GLY A 24 -5.587 -10.945 3.983 1.00 0.00 O ATOM 0 H GLY A 24 -7.227 -11.186 7.963 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.211 -12.303 6.311 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.605 -11.981 5.299 1.00 0.00 H new ATOM 379 N HIS A 25 -5.773 -9.357 5.560 1.00 0.00 N ATOM 380 CA HIS A 25 -4.980 -8.390 4.808 1.00 0.00 C ATOM 381 C HIS A 25 -3.772 -7.909 5.602 1.00 0.00 C ATOM 382 O HIS A 25 -3.882 -7.566 6.779 1.00 0.00 O ATOM 383 CB HIS A 25 -5.846 -7.198 4.377 1.00 0.00 C ATOM 384 CG HIS A 25 -5.948 -7.079 2.894 1.00 0.00 C ATOM 385 ND1 HIS A 25 -6.892 -6.327 2.224 1.00 0.00 N ATOM 386 CD2 HIS A 25 -5.204 -7.674 1.942 1.00 0.00 C ATOM 387 CE1 HIS A 25 -6.688 -6.501 0.907 1.00 0.00 C ATOM 388 NE2 HIS A 25 -5.671 -7.313 0.698 1.00 0.00 N ATOM 0 H HIS A 25 -6.111 -9.022 6.462 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.609 -8.896 3.917 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.845 -7.306 4.800 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.424 -6.279 4.785 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.369 -8.333 2.126 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -7.276 -6.039 0.128 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -5.303 -7.614 -0.205 1.00 0.00 H new ATOM 396 N GLU A 26 -2.616 -7.885 4.943 1.00 0.00 N ATOM 397 CA GLU A 26 -1.380 -7.444 5.575 1.00 0.00 C ATOM 398 C GLU A 26 -0.777 -6.272 4.807 1.00 0.00 C ATOM 399 O GLU A 26 0.231 -6.418 4.117 1.00 0.00 O ATOM 400 CB GLU A 26 -0.378 -8.597 5.647 1.00 0.00 C ATOM 401 CG GLU A 26 0.535 -8.533 6.861 1.00 0.00 C ATOM 402 CD GLU A 26 0.504 -9.808 7.683 1.00 0.00 C ATOM 403 OE1 GLU A 26 -0.422 -9.960 8.508 1.00 0.00 O ATOM 404 OE2 GLU A 26 1.407 -10.653 7.503 1.00 0.00 O ATOM 0 H GLU A 26 -2.512 -8.167 3.968 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.610 -7.116 6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.923 -9.541 5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.232 -8.595 4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.557 -8.342 6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.239 -7.693 7.489 1.00 0.00 H new ATOM 411 N PHE A 27 -1.409 -5.111 4.931 1.00 0.00 N ATOM 412 CA PHE A 27 -0.947 -3.907 4.250 1.00 0.00 C ATOM 413 C PHE A 27 0.454 -3.523 4.710 1.00 0.00 C ATOM 414 O PHE A 27 0.912 -3.958 5.763 1.00 0.00 O ATOM 415 CB PHE A 27 -1.915 -2.746 4.484 1.00 0.00 C ATOM 416 CG PHE A 27 -3.362 -3.148 4.448 1.00 0.00 C ATOM 417 CD1 PHE A 27 -3.943 -3.588 3.269 1.00 0.00 C ATOM 418 CD2 PHE A 27 -4.141 -3.088 5.594 1.00 0.00 C ATOM 419 CE1 PHE A 27 -5.274 -3.958 3.233 1.00 0.00 C ATOM 420 CE2 PHE A 27 -5.472 -3.458 5.563 1.00 0.00 C ATOM 421 CZ PHE A 27 -6.040 -3.894 4.382 1.00 0.00 C ATOM 0 H PHE A 27 -2.246 -4.977 5.499 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.912 -4.122 3.182 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.697 -2.293 5.451 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.741 -1.981 3.727 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.349 -3.642 2.369 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.703 -2.748 6.521 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.716 -4.297 2.308 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.068 -3.406 6.462 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.080 -4.184 4.356 1.00 0.00 H new ATOM 431 N ILE A 28 1.132 -2.719 3.902 1.00 0.00 N ATOM 432 CA ILE A 28 2.486 -2.289 4.218 1.00 0.00 C ATOM 433 C ILE A 28 2.618 -0.773 4.125 1.00 0.00 C ATOM 434 O ILE A 28 2.195 -0.166 3.142 1.00 0.00 O ATOM 435 CB ILE A 28 3.514 -2.936 3.272 1.00 0.00 C ATOM 436 CG1 ILE A 28 3.150 -4.406 3.011 1.00 0.00 C ATOM 437 CG2 ILE A 28 4.919 -2.810 3.847 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.556 -5.345 4.125 1.00 0.00 C ATOM 0 H ILE A 28 0.766 -2.352 3.023 1.00 0.00 H new ATOM 0 HA ILE A 28 2.688 -2.608 5.241 1.00 0.00 H new ATOM 0 HB ILE A 28 3.493 -2.409 2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.073 -4.482 2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.626 -4.729 2.085 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.634 -3.272 3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.167 -1.756 3.973 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.963 -3.311 4.814 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.265 -6.363 3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.636 -5.300 4.263 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.059 -5.049 5.049 1.00 0.00 H new ATOM 450 N PRO A 29 3.212 -0.142 5.149 1.00 0.00 N ATOM 451 CA PRO A 29 3.399 1.309 5.173 1.00 0.00 C ATOM 452 C PRO A 29 4.409 1.775 4.137 1.00 0.00 C ATOM 453 O PRO A 29 5.596 1.463 4.229 1.00 0.00 O ATOM 454 CB PRO A 29 3.917 1.581 6.583 1.00 0.00 C ATOM 455 CG PRO A 29 4.549 0.304 7.013 1.00 0.00 C ATOM 456 CD PRO A 29 3.755 -0.790 6.357 1.00 0.00 C ATOM 0 HA PRO A 29 2.478 1.842 4.936 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.637 2.399 6.588 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.106 1.866 7.253 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.595 0.264 6.709 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.529 0.204 8.098 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.381 -1.646 6.106 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.961 -1.156 7.008 1.00 0.00 H new ATOM 464 N THR A 30 3.931 2.520 3.153 1.00 0.00 N ATOM 465 CA THR A 30 4.798 3.025 2.101 1.00 0.00 C ATOM 466 C THR A 30 4.193 4.263 1.443 1.00 0.00 C ATOM 467 O THR A 30 3.011 4.558 1.624 1.00 0.00 O ATOM 468 CB THR A 30 5.041 1.941 1.053 1.00 0.00 C ATOM 469 OG1 THR A 30 5.998 2.368 0.101 1.00 0.00 O ATOM 470 CG2 THR A 30 3.789 1.542 0.304 1.00 0.00 C ATOM 0 H THR A 30 2.951 2.788 3.061 1.00 0.00 H new ATOM 0 HA THR A 30 5.750 3.307 2.551 1.00 0.00 H new ATOM 0 HB THR A 30 5.401 1.076 1.610 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.141 1.659 -0.560 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.032 0.769 -0.425 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.051 1.158 1.008 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.381 2.411 -0.212 1.00 0.00 H new ATOM 478 N LEU A 31 5.007 4.982 0.678 1.00 0.00 N ATOM 479 CA LEU A 31 4.550 6.183 -0.007 1.00 0.00 C ATOM 480 C LEU A 31 4.508 5.960 -1.516 1.00 0.00 C ATOM 481 O LEU A 31 5.260 5.149 -2.054 1.00 0.00 O ATOM 482 CB LEU A 31 5.464 7.361 0.324 1.00 0.00 C ATOM 483 CG LEU A 31 5.681 7.614 1.818 1.00 0.00 C ATOM 484 CD1 LEU A 31 6.698 8.723 2.028 1.00 0.00 C ATOM 485 CD2 LEU A 31 4.363 7.961 2.496 1.00 0.00 C ATOM 0 H LEU A 31 5.988 4.753 0.517 1.00 0.00 H new ATOM 0 HA LEU A 31 3.541 6.411 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.433 7.192 -0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.046 8.262 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 31 6.070 6.702 2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.840 8.889 3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.648 8.436 1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.337 9.640 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.535 8.138 3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.946 8.860 2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.663 7.134 2.375 1.00 0.00 H new ATOM 497 N TYR A 32 3.623 6.686 -2.191 1.00 0.00 N ATOM 498 CA TYR A 32 3.483 6.565 -3.638 1.00 0.00 C ATOM 499 C TYR A 32 3.563 7.931 -4.311 1.00 0.00 C ATOM 500 O TYR A 32 2.645 8.743 -4.199 1.00 0.00 O ATOM 501 CB TYR A 32 2.157 5.885 -3.986 1.00 0.00 C ATOM 502 CG TYR A 32 2.299 4.416 -4.318 1.00 0.00 C ATOM 503 CD1 TYR A 32 2.681 4.005 -5.588 1.00 0.00 C ATOM 504 CD2 TYR A 32 2.053 3.442 -3.359 1.00 0.00 C ATOM 505 CE1 TYR A 32 2.812 2.664 -5.894 1.00 0.00 C ATOM 506 CE2 TYR A 32 2.183 2.100 -3.657 1.00 0.00 C ATOM 507 CZ TYR A 32 2.562 1.716 -4.925 1.00 0.00 C ATOM 508 OH TYR A 32 2.692 0.379 -5.227 1.00 0.00 O ATOM 0 H TYR A 32 2.993 7.363 -1.761 1.00 0.00 H new ATOM 0 HA TYR A 32 4.305 5.953 -4.008 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.471 5.995 -3.146 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.706 6.399 -4.835 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.879 4.745 -6.349 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.755 3.739 -2.364 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.109 2.360 -6.887 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.989 1.355 -2.900 1.00 0.00 H new ATOM 0 HH TYR A 32 3.284 -0.048 -4.573 1.00 0.00 H new ATOM 518 N HIS A 33 4.665 8.175 -5.011 1.00 0.00 N ATOM 519 CA HIS A 33 4.865 9.441 -5.707 1.00 0.00 C ATOM 520 C HIS A 33 4.136 9.455 -7.050 1.00 0.00 C ATOM 521 O HIS A 33 4.034 10.496 -7.697 1.00 0.00 O ATOM 522 CB HIS A 33 6.359 9.699 -5.917 1.00 0.00 C ATOM 523 CG HIS A 33 6.856 10.933 -5.229 1.00 0.00 C ATOM 524 ND1 HIS A 33 7.988 11.613 -5.626 1.00 0.00 N ATOM 525 CD2 HIS A 33 6.366 11.611 -4.164 1.00 0.00 C ATOM 526 CE1 HIS A 33 8.173 12.654 -4.835 1.00 0.00 C ATOM 527 NE2 HIS A 33 7.203 12.676 -3.940 1.00 0.00 N ATOM 0 H HIS A 33 5.434 7.513 -5.112 1.00 0.00 H new ATOM 0 HA HIS A 33 4.449 10.235 -5.087 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.922 8.839 -5.555 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.558 9.783 -6.985 1.00 0.00 H new ATOM 0 HD1 HIS A 33 8.588 11.353 -6.408 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.482 11.361 -3.597 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.981 13.367 -4.908 1.00 0.00 H new ATOM 536 N PHE A 34 3.631 8.295 -7.465 1.00 0.00 N ATOM 537 CA PHE A 34 2.914 8.185 -8.730 1.00 0.00 C ATOM 538 C PHE A 34 1.419 7.992 -8.488 1.00 0.00 C ATOM 539 O PHE A 34 0.997 7.709 -7.368 1.00 0.00 O ATOM 540 CB PHE A 34 3.458 7.019 -9.562 1.00 0.00 C ATOM 541 CG PHE A 34 4.927 6.764 -9.361 1.00 0.00 C ATOM 542 CD1 PHE A 34 5.869 7.683 -9.789 1.00 0.00 C ATOM 543 CD2 PHE A 34 5.362 5.603 -8.741 1.00 0.00 C ATOM 544 CE1 PHE A 34 7.218 7.453 -9.605 1.00 0.00 C ATOM 545 CE2 PHE A 34 6.709 5.365 -8.554 1.00 0.00 C ATOM 546 CZ PHE A 34 7.640 6.291 -8.986 1.00 0.00 C ATOM 0 H PHE A 34 3.706 7.421 -6.944 1.00 0.00 H new ATOM 0 HA PHE A 34 3.065 9.113 -9.282 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.904 6.115 -9.310 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.275 7.221 -10.617 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.545 8.592 -10.273 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.639 4.876 -8.400 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.942 8.179 -9.944 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.035 4.456 -8.071 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.694 6.107 -8.840 1.00 0.00 H new ATOM 556 N PRO A 35 0.599 8.147 -9.539 1.00 0.00 N ATOM 557 CA PRO A 35 -0.857 7.994 -9.438 1.00 0.00 C ATOM 558 C PRO A 35 -1.271 6.582 -9.033 1.00 0.00 C ATOM 559 O PRO A 35 -1.272 5.667 -9.857 1.00 0.00 O ATOM 560 CB PRO A 35 -1.359 8.310 -10.855 1.00 0.00 C ATOM 561 CG PRO A 35 -0.237 9.036 -11.515 1.00 0.00 C ATOM 562 CD PRO A 35 1.020 8.488 -10.907 1.00 0.00 C ATOM 0 HA PRO A 35 -1.274 8.645 -8.670 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.610 7.398 -11.396 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.261 8.922 -10.826 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.250 8.878 -12.593 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.315 10.110 -11.349 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.383 7.614 -11.448 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.825 9.223 -10.911 1.00 0.00 H new ATOM 570 N THR A 36 -1.629 6.414 -7.765 1.00 0.00 N ATOM 571 CA THR A 36 -2.054 5.116 -7.255 1.00 0.00 C ATOM 572 C THR A 36 -3.518 5.170 -6.830 1.00 0.00 C ATOM 573 O THR A 36 -3.931 6.073 -6.100 1.00 0.00 O ATOM 574 CB THR A 36 -1.160 4.688 -6.082 1.00 0.00 C ATOM 575 OG1 THR A 36 0.102 4.250 -6.552 1.00 0.00 O ATOM 576 CG2 THR A 36 -1.746 3.569 -5.243 1.00 0.00 C ATOM 0 H THR A 36 -1.633 7.161 -7.071 1.00 0.00 H new ATOM 0 HA THR A 36 -1.955 4.375 -8.048 1.00 0.00 H new ATOM 0 HB THR A 36 -1.071 5.576 -5.456 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.729 4.194 -5.801 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.058 3.322 -4.435 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.699 3.890 -4.823 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.903 2.690 -5.868 1.00 0.00 H new ATOM 584 N ASN A 37 -4.302 4.204 -7.294 1.00 0.00 N ATOM 585 CA ASN A 37 -5.721 4.146 -6.965 1.00 0.00 C ATOM 586 C ASN A 37 -5.967 3.260 -5.749 1.00 0.00 C ATOM 587 O ASN A 37 -5.602 2.084 -5.741 1.00 0.00 O ATOM 588 CB ASN A 37 -6.522 3.625 -8.160 1.00 0.00 C ATOM 589 CG ASN A 37 -6.139 4.310 -9.457 1.00 0.00 C ATOM 590 OD1 ASN A 37 -5.726 5.470 -9.461 1.00 0.00 O ATOM 591 ND2 ASN A 37 -6.275 3.595 -10.567 1.00 0.00 N ATOM 0 H ASN A 37 -3.979 3.450 -7.900 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.052 5.157 -6.725 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.364 2.551 -8.259 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.586 3.775 -7.974 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.033 4.004 -11.470 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.621 2.637 -10.517 1.00 0.00 H new ATOM 598 N CYS A 38 -6.591 3.831 -4.722 1.00 0.00 N ATOM 599 CA CYS A 38 -6.888 3.091 -3.504 1.00 0.00 C ATOM 600 C CYS A 38 -8.013 2.085 -3.750 1.00 0.00 C ATOM 601 O CYS A 38 -8.851 2.281 -4.631 1.00 0.00 O ATOM 602 CB CYS A 38 -7.244 4.065 -2.366 1.00 0.00 C ATOM 603 SG CYS A 38 -8.876 3.795 -1.584 1.00 0.00 S ATOM 0 H CYS A 38 -6.900 4.803 -4.711 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.003 2.530 -3.204 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.475 3.995 -1.597 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.211 5.082 -2.757 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.502 4.930 -1.484 1.00 0.00 H new ATOM 608 N GLU A 39 -8.023 1.008 -2.972 1.00 0.00 N ATOM 609 CA GLU A 39 -9.040 -0.029 -3.110 1.00 0.00 C ATOM 610 C GLU A 39 -10.273 0.289 -2.266 1.00 0.00 C ATOM 611 O GLU A 39 -11.390 -0.086 -2.617 1.00 0.00 O ATOM 612 CB GLU A 39 -8.467 -1.390 -2.704 1.00 0.00 C ATOM 613 CG GLU A 39 -8.230 -2.323 -3.880 1.00 0.00 C ATOM 614 CD GLU A 39 -9.505 -2.986 -4.363 1.00 0.00 C ATOM 615 OE1 GLU A 39 -10.554 -2.308 -4.386 1.00 0.00 O ATOM 616 OE2 GLU A 39 -9.456 -4.183 -4.718 1.00 0.00 O ATOM 0 H GLU A 39 -7.337 0.830 -2.238 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.343 -0.064 -4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.525 -1.236 -2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.151 -1.869 -2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.783 -1.761 -4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.512 -3.091 -3.591 1.00 0.00 H new ATOM 623 N ALA A 40 -10.058 0.974 -1.147 1.00 0.00 N ATOM 624 CA ALA A 40 -11.151 1.332 -0.249 1.00 0.00 C ATOM 625 C ALA A 40 -12.133 2.301 -0.912 1.00 0.00 C ATOM 626 O ALA A 40 -13.086 1.876 -1.564 1.00 0.00 O ATOM 627 CB ALA A 40 -10.598 1.917 1.045 1.00 0.00 C ATOM 0 H ALA A 40 -9.138 1.292 -0.841 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.705 0.423 -0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.423 2.180 1.707 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.961 1.180 1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.014 2.810 0.820 1.00 0.00 H new ATOM 633 N CYS A 41 -11.904 3.603 -0.740 1.00 0.00 N ATOM 634 CA CYS A 41 -12.780 4.616 -1.321 1.00 0.00 C ATOM 635 C CYS A 41 -12.487 4.816 -2.804 1.00 0.00 C ATOM 636 O CYS A 41 -11.745 4.045 -3.413 1.00 0.00 O ATOM 637 CB CYS A 41 -12.635 5.945 -0.569 1.00 0.00 C ATOM 638 SG CYS A 41 -11.104 6.865 -0.944 1.00 0.00 S ATOM 0 H CYS A 41 -11.121 3.979 -0.204 1.00 0.00 H new ATOM 0 HA CYS A 41 -13.807 4.264 -1.223 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -13.491 6.577 -0.806 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -12.672 5.747 0.502 1.00 0.00 H new ATOM 0 HG CYS A 41 -11.083 7.970 -0.259 1.00 0.00 H new ATOM 643 N MET A 42 -13.075 5.861 -3.379 1.00 0.00 N ATOM 644 CA MET A 42 -12.880 6.171 -4.790 1.00 0.00 C ATOM 645 C MET A 42 -11.807 7.241 -4.971 1.00 0.00 C ATOM 646 O MET A 42 -11.161 7.313 -6.017 1.00 0.00 O ATOM 647 CB MET A 42 -14.194 6.642 -5.415 1.00 0.00 C ATOM 648 CG MET A 42 -15.247 5.550 -5.518 1.00 0.00 C ATOM 649 SD MET A 42 -15.426 4.911 -7.195 1.00 0.00 S ATOM 650 CE MET A 42 -13.968 3.880 -7.323 1.00 0.00 C ATOM 0 H MET A 42 -13.692 6.508 -2.888 1.00 0.00 H new ATOM 0 HA MET A 42 -12.549 5.262 -5.293 1.00 0.00 H new ATOM 0 HB2 MET A 42 -14.593 7.465 -4.823 1.00 0.00 H new ATOM 0 HB3 MET A 42 -13.992 7.035 -6.411 1.00 0.00 H new ATOM 0 HG2 MET A 42 -14.983 4.732 -4.848 1.00 0.00 H new ATOM 0 HG3 MET A 42 -16.206 5.942 -5.179 1.00 0.00 H new ATOM 0 HE1 MET A 42 -14.066 3.216 -8.182 1.00 0.00 H new ATOM 0 HE2 MET A 42 -13.087 4.509 -7.450 1.00 0.00 H new ATOM 0 HE3 MET A 42 -13.861 3.286 -6.415 1.00 0.00 H new ATOM 660 N LYS A 43 -11.620 8.070 -3.946 1.00 0.00 N ATOM 661 CA LYS A 43 -10.625 9.137 -3.995 1.00 0.00 C ATOM 662 C LYS A 43 -9.261 8.596 -4.427 1.00 0.00 C ATOM 663 O LYS A 43 -8.940 7.432 -4.187 1.00 0.00 O ATOM 664 CB LYS A 43 -10.512 9.820 -2.629 1.00 0.00 C ATOM 665 CG LYS A 43 -10.849 11.303 -2.663 1.00 0.00 C ATOM 666 CD LYS A 43 -9.831 12.126 -1.889 1.00 0.00 C ATOM 667 CE LYS A 43 -10.498 13.239 -1.095 1.00 0.00 C ATOM 668 NZ LYS A 43 -9.986 14.582 -1.486 1.00 0.00 N ATOM 0 H LYS A 43 -12.144 8.023 -3.072 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.951 9.870 -4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.178 9.320 -1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.497 9.695 -2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.884 11.645 -3.697 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.842 11.461 -2.241 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.277 11.477 -1.211 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.107 12.556 -2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.576 13.201 -1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.325 13.080 -0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.465 15.314 -0.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.962 14.627 -1.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.174 14.745 -2.496 1.00 0.00 H new ATOM 682 N PRO A 44 -8.442 9.440 -5.079 1.00 0.00 N ATOM 683 CA PRO A 44 -7.111 9.042 -5.551 1.00 0.00 C ATOM 684 C PRO A 44 -6.115 8.851 -4.411 1.00 0.00 C ATOM 685 O PRO A 44 -6.276 9.411 -3.328 1.00 0.00 O ATOM 686 CB PRO A 44 -6.687 10.212 -6.440 1.00 0.00 C ATOM 687 CG PRO A 44 -7.440 11.383 -5.909 1.00 0.00 C ATOM 688 CD PRO A 44 -8.751 10.843 -5.409 1.00 0.00 C ATOM 0 HA PRO A 44 -7.135 8.081 -6.065 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.611 10.378 -6.390 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.932 10.024 -7.485 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.887 11.870 -5.106 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.597 12.130 -6.687 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.105 11.392 -4.536 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.530 10.915 -6.168 1.00 0.00 H new ATOM 696 N LEU A 45 -5.080 8.056 -4.670 1.00 0.00 N ATOM 697 CA LEU A 45 -4.048 7.787 -3.674 1.00 0.00 C ATOM 698 C LEU A 45 -2.664 8.105 -4.234 1.00 0.00 C ATOM 699 O LEU A 45 -2.094 7.312 -4.984 1.00 0.00 O ATOM 700 CB LEU A 45 -4.105 6.321 -3.232 1.00 0.00 C ATOM 701 CG LEU A 45 -3.559 6.036 -1.829 1.00 0.00 C ATOM 702 CD1 LEU A 45 -3.490 4.538 -1.574 1.00 0.00 C ATOM 703 CD2 LEU A 45 -2.188 6.667 -1.649 1.00 0.00 C ATOM 0 H LEU A 45 -4.934 7.586 -5.563 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.232 8.427 -2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.141 5.986 -3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.546 5.721 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.241 6.479 -1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.100 4.357 -0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.488 4.108 -1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.832 4.074 -2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.818 6.453 -0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.498 6.255 -2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.263 7.746 -1.785 1.00 0.00 H new ATOM 715 N TRP A 46 -2.127 9.269 -3.868 1.00 0.00 N ATOM 716 CA TRP A 46 -0.804 9.689 -4.336 1.00 0.00 C ATOM 717 C TRP A 46 -0.536 11.150 -3.991 1.00 0.00 C ATOM 718 O TRP A 46 -1.374 11.823 -3.390 1.00 0.00 O ATOM 719 CB TRP A 46 -0.669 9.487 -5.849 1.00 0.00 C ATOM 720 CG TRP A 46 -1.807 10.068 -6.632 1.00 0.00 C ATOM 721 CD1 TRP A 46 -2.942 9.422 -7.030 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.920 11.413 -7.114 1.00 0.00 C ATOM 723 NE1 TRP A 46 -3.752 10.282 -7.733 1.00 0.00 N ATOM 724 CE2 TRP A 46 -3.147 11.510 -7.797 1.00 0.00 C ATOM 725 CE3 TRP A 46 -1.101 12.543 -7.036 1.00 0.00 C ATOM 726 CZ2 TRP A 46 -3.575 12.692 -8.395 1.00 0.00 C ATOM 727 CZ3 TRP A 46 -1.527 13.716 -7.630 1.00 0.00 C ATOM 728 CH2 TRP A 46 -2.754 13.783 -8.302 1.00 0.00 C ATOM 0 H TRP A 46 -2.586 9.938 -3.250 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.067 9.067 -3.827 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.263 9.940 -6.187 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.600 8.420 -6.061 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -3.170 8.387 -6.823 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.656 10.045 -8.141 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.153 12.500 -6.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.521 12.746 -8.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -0.903 14.596 -7.575 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.058 14.714 -8.756 1.00 0.00 H new ATOM 739 N HIS A 47 0.641 11.632 -4.381 1.00 0.00 N ATOM 740 CA HIS A 47 1.033 13.014 -4.124 1.00 0.00 C ATOM 741 C HIS A 47 2.454 13.271 -4.621 1.00 0.00 C ATOM 742 O HIS A 47 3.384 12.547 -4.270 1.00 0.00 O ATOM 743 CB HIS A 47 0.935 13.329 -2.629 1.00 0.00 C ATOM 744 CG HIS A 47 0.042 14.492 -2.320 1.00 0.00 C ATOM 745 ND1 HIS A 47 0.299 15.775 -2.755 1.00 0.00 N ATOM 746 CD2 HIS A 47 -1.113 14.559 -1.616 1.00 0.00 C ATOM 747 CE1 HIS A 47 -0.657 16.582 -2.331 1.00 0.00 C ATOM 748 NE2 HIS A 47 -1.527 15.868 -1.639 1.00 0.00 N ATOM 0 H HIS A 47 1.342 11.083 -4.878 1.00 0.00 H new ATOM 0 HA HIS A 47 0.350 13.668 -4.666 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.566 12.448 -2.104 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.933 13.535 -2.243 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.615 13.737 -1.128 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.717 17.644 -2.518 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -2.370 16.231 -1.194 1.00 0.00 H new ATOM 757 N MET A 48 2.611 14.304 -5.442 1.00 0.00 N ATOM 758 CA MET A 48 3.918 14.653 -5.988 1.00 0.00 C ATOM 759 C MET A 48 4.751 15.414 -4.969 1.00 0.00 C ATOM 760 O MET A 48 5.931 15.123 -4.769 1.00 0.00 O ATOM 761 CB MET A 48 3.759 15.499 -7.252 1.00 0.00 C ATOM 762 CG MET A 48 3.110 16.851 -7.005 1.00 0.00 C ATOM 763 SD MET A 48 2.755 17.742 -8.532 1.00 0.00 S ATOM 764 CE MET A 48 1.418 16.753 -9.198 1.00 0.00 C ATOM 0 H MET A 48 1.851 14.913 -5.744 1.00 0.00 H new ATOM 0 HA MET A 48 4.433 13.725 -6.236 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.740 15.654 -7.701 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.161 14.946 -7.976 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.184 16.708 -6.449 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.767 17.456 -6.380 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.880 17.328 -9.952 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.825 15.850 -9.653 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.734 16.478 -8.395 1.00 0.00 H new ATOM 774 N PHE A 49 4.135 16.401 -4.331 1.00 0.00 N ATOM 775 CA PHE A 49 4.825 17.213 -3.340 1.00 0.00 C ATOM 776 C PHE A 49 5.107 16.414 -2.072 1.00 0.00 C ATOM 777 O PHE A 49 6.260 16.113 -1.761 1.00 0.00 O ATOM 778 CB PHE A 49 4.002 18.456 -3.005 1.00 0.00 C ATOM 779 CG PHE A 49 3.967 19.472 -4.111 1.00 0.00 C ATOM 780 CD1 PHE A 49 4.968 20.422 -4.228 1.00 0.00 C ATOM 781 CD2 PHE A 49 2.934 19.474 -5.034 1.00 0.00 C ATOM 782 CE1 PHE A 49 4.939 21.357 -5.245 1.00 0.00 C ATOM 783 CE2 PHE A 49 2.900 20.405 -6.055 1.00 0.00 C ATOM 784 CZ PHE A 49 3.904 21.348 -6.159 1.00 0.00 C ATOM 0 H PHE A 49 3.160 16.658 -4.483 1.00 0.00 H new ATOM 0 HA PHE A 49 5.779 17.522 -3.766 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.982 18.153 -2.769 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.411 18.922 -2.109 1.00 0.00 H new ATOM 0 HD1 PHE A 49 5.780 20.432 -3.516 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.146 18.740 -4.955 1.00 0.00 H new ATOM 0 HE1 PHE A 49 5.725 22.094 -5.325 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.090 20.395 -6.770 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.879 22.078 -6.955 1.00 0.00 H new ATOM 794 N LYS A 50 4.049 16.077 -1.343 1.00 0.00 N ATOM 795 CA LYS A 50 4.188 15.318 -0.105 1.00 0.00 C ATOM 796 C LYS A 50 3.309 14.067 -0.126 1.00 0.00 C ATOM 797 O LYS A 50 2.135 14.121 0.238 1.00 0.00 O ATOM 798 CB LYS A 50 3.817 16.193 1.094 1.00 0.00 C ATOM 799 CG LYS A 50 4.722 17.401 1.268 1.00 0.00 C ATOM 800 CD LYS A 50 6.062 17.013 1.873 1.00 0.00 C ATOM 801 CE LYS A 50 6.880 18.236 2.250 1.00 0.00 C ATOM 802 NZ LYS A 50 7.632 18.033 3.518 1.00 0.00 N ATOM 0 H LYS A 50 3.088 16.316 -1.587 1.00 0.00 H new ATOM 0 HA LYS A 50 5.228 15.006 -0.015 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.788 16.534 0.980 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.854 15.588 2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.883 17.878 0.301 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.232 18.135 1.908 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.898 16.397 2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.621 16.406 1.161 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.579 18.466 1.446 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.219 19.097 2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.177 18.891 3.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.964 17.838 4.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.282 17.228 3.411 1.00 0.00 H new ATOM 816 N PRO A 51 3.869 12.920 -0.548 1.00 0.00 N ATOM 817 CA PRO A 51 3.125 11.655 -0.607 1.00 0.00 C ATOM 818 C PRO A 51 2.709 11.169 0.780 1.00 0.00 C ATOM 819 O PRO A 51 3.554 10.949 1.647 1.00 0.00 O ATOM 820 CB PRO A 51 4.118 10.676 -1.240 1.00 0.00 C ATOM 821 CG PRO A 51 5.460 11.270 -0.979 1.00 0.00 C ATOM 822 CD PRO A 51 5.263 12.758 -0.999 1.00 0.00 C ATOM 0 HA PRO A 51 2.197 11.756 -1.169 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.032 9.684 -0.797 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.936 10.564 -2.309 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.852 10.941 -0.017 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.178 10.961 -1.738 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.963 13.266 -0.335 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.414 13.171 -1.997 1.00 0.00 H new ATOM 830 N PRO A 52 1.395 10.991 1.008 1.00 0.00 N ATOM 831 CA PRO A 52 0.876 10.527 2.297 1.00 0.00 C ATOM 832 C PRO A 52 1.201 9.060 2.554 1.00 0.00 C ATOM 833 O PRO A 52 1.446 8.298 1.619 1.00 0.00 O ATOM 834 CB PRO A 52 -0.635 10.727 2.163 1.00 0.00 C ATOM 835 CG PRO A 52 -0.897 10.651 0.699 1.00 0.00 C ATOM 836 CD PRO A 52 0.317 11.228 0.030 1.00 0.00 C ATOM 0 HA PRO A 52 1.317 11.067 3.135 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.186 9.958 2.705 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.945 11.689 2.572 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.062 9.620 0.385 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.793 11.213 0.433 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.523 10.737 -0.921 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.192 12.290 -0.180 1.00 0.00 H new ATOM 844 N PRO A 53 1.205 8.641 3.830 1.00 0.00 N ATOM 845 CA PRO A 53 1.500 7.254 4.204 1.00 0.00 C ATOM 846 C PRO A 53 0.455 6.280 3.671 1.00 0.00 C ATOM 847 O PRO A 53 -0.565 6.039 4.314 1.00 0.00 O ATOM 848 CB PRO A 53 1.480 7.278 5.735 1.00 0.00 C ATOM 849 CG PRO A 53 0.668 8.475 6.092 1.00 0.00 C ATOM 850 CD PRO A 53 0.920 9.482 5.006 1.00 0.00 C ATOM 0 HA PRO A 53 2.448 6.914 3.787 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.038 6.367 6.138 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.489 7.350 6.142 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.391 8.224 6.154 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.960 8.869 7.065 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.054 10.124 4.842 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.759 10.134 5.248 1.00 0.00 H new ATOM 858 N ALA A 54 0.718 5.720 2.496 1.00 0.00 N ATOM 859 CA ALA A 54 -0.201 4.770 1.882 1.00 0.00 C ATOM 860 C ALA A 54 0.141 3.345 2.297 1.00 0.00 C ATOM 861 O ALA A 54 1.289 3.041 2.615 1.00 0.00 O ATOM 862 CB ALA A 54 -0.178 4.907 0.367 1.00 0.00 C ATOM 0 H ALA A 54 1.559 5.907 1.950 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.209 4.994 2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.870 4.190 -0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.477 5.918 0.088 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.829 4.712 -0.001 1.00 0.00 H new ATOM 868 N LEU A 55 -0.863 2.476 2.303 1.00 0.00 N ATOM 869 CA LEU A 55 -0.663 1.086 2.692 1.00 0.00 C ATOM 870 C LEU A 55 -0.889 0.143 1.516 1.00 0.00 C ATOM 871 O LEU A 55 -1.993 0.057 0.981 1.00 0.00 O ATOM 872 CB LEU A 55 -1.596 0.719 3.848 1.00 0.00 C ATOM 873 CG LEU A 55 -1.646 1.735 4.988 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.535 1.228 6.113 1.00 0.00 C ATOM 875 CD2 LEU A 55 -0.245 2.026 5.503 1.00 0.00 C ATOM 0 H LEU A 55 -1.822 2.709 2.043 1.00 0.00 H new ATOM 0 HA LEU A 55 0.371 0.976 3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.604 0.589 3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.285 -0.244 4.254 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.071 2.663 4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.560 1.964 6.917 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.545 1.069 5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.138 0.287 6.494 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.299 2.752 6.315 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.207 1.104 5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.363 2.431 4.694 1.00 0.00 H new ATOM 887 N GLU A 56 0.166 -0.566 1.123 1.00 0.00 N ATOM 888 CA GLU A 56 0.083 -1.507 0.012 1.00 0.00 C ATOM 889 C GLU A 56 0.027 -2.944 0.515 1.00 0.00 C ATOM 890 O GLU A 56 0.741 -3.314 1.447 1.00 0.00 O ATOM 891 CB GLU A 56 1.283 -1.337 -0.921 1.00 0.00 C ATOM 892 CG GLU A 56 1.116 -2.048 -2.256 1.00 0.00 C ATOM 893 CD GLU A 56 2.392 -2.057 -3.076 1.00 0.00 C ATOM 894 OE1 GLU A 56 3.040 -0.996 -3.178 1.00 0.00 O ATOM 895 OE2 GLU A 56 2.742 -3.127 -3.617 1.00 0.00 O ATOM 0 H GLU A 56 1.087 -0.506 1.557 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.834 -1.294 -0.537 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.446 -0.274 -1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.176 -1.717 -0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.795 -3.075 -2.079 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.325 -1.561 -2.827 1.00 0.00 H new ATOM 902 N CYS A 57 -0.817 -3.755 -0.113 1.00 0.00 N ATOM 903 CA CYS A 57 -0.956 -5.153 0.269 1.00 0.00 C ATOM 904 C CYS A 57 0.208 -5.972 -0.277 1.00 0.00 C ATOM 905 O CYS A 57 0.594 -5.825 -1.437 1.00 0.00 O ATOM 906 CB CYS A 57 -2.285 -5.719 -0.244 1.00 0.00 C ATOM 907 SG CYS A 57 -2.488 -7.512 0.014 1.00 0.00 S ATOM 0 H CYS A 57 -1.414 -3.467 -0.888 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.947 -5.214 1.357 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.104 -5.198 0.252 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.370 -5.505 -1.309 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.575 -7.760 1.287 1.00 0.00 H new ATOM 912 N ARG A 58 0.763 -6.836 0.565 1.00 0.00 N ATOM 913 CA ARG A 58 1.884 -7.679 0.165 1.00 0.00 C ATOM 914 C ARG A 58 1.395 -9.043 -0.315 1.00 0.00 C ATOM 915 O ARG A 58 2.076 -10.054 -0.146 1.00 0.00 O ATOM 916 CB ARG A 58 2.861 -7.846 1.331 1.00 0.00 C ATOM 917 CG ARG A 58 2.274 -8.595 2.516 1.00 0.00 C ATOM 918 CD ARG A 58 3.321 -8.854 3.589 1.00 0.00 C ATOM 919 NE ARG A 58 3.488 -10.281 3.855 1.00 0.00 N ATOM 920 CZ ARG A 58 4.441 -10.783 4.639 1.00 0.00 C ATOM 921 NH1 ARG A 58 5.312 -9.978 5.234 1.00 0.00 N ATOM 922 NH2 ARG A 58 4.521 -12.092 4.829 1.00 0.00 N ATOM 0 H ARG A 58 0.456 -6.971 1.528 1.00 0.00 H new ATOM 0 HA ARG A 58 2.400 -7.192 -0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.746 -8.376 0.979 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.190 -6.861 1.662 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.452 -8.019 2.940 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.857 -9.543 2.177 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.275 -8.429 3.276 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.032 -8.345 4.508 1.00 0.00 H new ATOM 0 HE ARG A 58 2.837 -10.931 3.415 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.254 -8.970 5.092 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.040 -10.368 5.833 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.853 -12.715 4.375 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.251 -12.477 5.429 1.00 0.00 H new ATOM 936 N ARG A 59 0.207 -9.059 -0.915 1.00 0.00 N ATOM 937 CA ARG A 59 -0.381 -10.293 -1.424 1.00 0.00 C ATOM 938 C ARG A 59 -1.035 -10.067 -2.790 1.00 0.00 C ATOM 939 O ARG A 59 -0.456 -10.399 -3.823 1.00 0.00 O ATOM 940 CB ARG A 59 -1.407 -10.839 -0.428 1.00 0.00 C ATOM 941 CG ARG A 59 -0.841 -11.057 0.967 1.00 0.00 C ATOM 942 CD ARG A 59 -1.510 -10.154 1.992 1.00 0.00 C ATOM 943 NE ARG A 59 -1.772 -10.855 3.247 1.00 0.00 N ATOM 944 CZ ARG A 59 -2.633 -11.863 3.368 1.00 0.00 C ATOM 945 NH1 ARG A 59 -3.313 -12.293 2.313 1.00 0.00 N ATOM 946 NH2 ARG A 59 -2.813 -12.442 4.547 1.00 0.00 N ATOM 0 H ARG A 59 -0.367 -8.229 -1.060 1.00 0.00 H new ATOM 0 HA ARG A 59 0.417 -11.025 -1.548 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.247 -10.147 -0.367 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.800 -11.784 -0.804 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.977 -12.099 1.256 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.232 -10.866 0.959 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.874 -9.290 2.185 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.448 -9.775 1.585 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.265 -10.554 4.080 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.177 -11.851 1.404 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.972 -13.066 2.411 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.292 -12.115 5.361 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.473 -13.214 4.640 1.00 0.00 H new ATOM 960 N CYS A 60 -2.242 -9.500 -2.792 1.00 0.00 N ATOM 961 CA CYS A 60 -2.962 -9.232 -4.036 1.00 0.00 C ATOM 962 C CYS A 60 -2.511 -7.914 -4.669 1.00 0.00 C ATOM 963 O CYS A 60 -2.884 -7.603 -5.799 1.00 0.00 O ATOM 964 CB CYS A 60 -4.473 -9.203 -3.787 1.00 0.00 C ATOM 965 SG CYS A 60 -5.057 -7.748 -2.856 1.00 0.00 S ATOM 0 H CYS A 60 -2.740 -9.218 -1.948 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.731 -10.040 -4.731 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.988 -9.235 -4.747 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.756 -10.104 -3.244 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.228 -7.491 -1.888 1.00 0.00 H new ATOM 970 N HIS A 61 -1.706 -7.146 -3.936 1.00 0.00 N ATOM 971 CA HIS A 61 -1.203 -5.864 -4.426 1.00 0.00 C ATOM 972 C HIS A 61 -2.314 -4.819 -4.494 1.00 0.00 C ATOM 973 O HIS A 61 -3.011 -4.700 -5.502 1.00 0.00 O ATOM 974 CB HIS A 61 -0.554 -6.033 -5.804 1.00 0.00 C ATOM 975 CG HIS A 61 0.938 -5.912 -5.781 1.00 0.00 C ATOM 976 ND1 HIS A 61 1.737 -6.622 -4.911 1.00 0.00 N ATOM 977 CD2 HIS A 61 1.777 -5.158 -6.531 1.00 0.00 C ATOM 978 CE1 HIS A 61 3.003 -6.310 -5.125 1.00 0.00 C ATOM 979 NE2 HIS A 61 3.055 -5.425 -6.103 1.00 0.00 N ATOM 0 H HIS A 61 -1.388 -7.390 -2.998 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.451 -5.513 -3.720 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.825 -7.009 -6.207 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.961 -5.283 -6.483 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.494 -4.475 -7.318 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.851 -6.711 -4.590 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.906 -5.007 -6.480 1.00 0.00 H new ATOM 988 N ILE A 62 -2.462 -4.052 -3.417 1.00 0.00 N ATOM 989 CA ILE A 62 -3.473 -3.002 -3.349 1.00 0.00 C ATOM 990 C ILE A 62 -3.042 -1.907 -2.386 1.00 0.00 C ATOM 991 O ILE A 62 -2.600 -2.188 -1.275 1.00 0.00 O ATOM 992 CB ILE A 62 -4.845 -3.544 -2.901 1.00 0.00 C ATOM 993 CG1 ILE A 62 -4.753 -4.174 -1.509 1.00 0.00 C ATOM 994 CG2 ILE A 62 -5.369 -4.548 -3.908 1.00 0.00 C ATOM 995 CD1 ILE A 62 -5.785 -3.645 -0.537 1.00 0.00 C ATOM 0 H ILE A 62 -1.891 -4.139 -2.576 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.572 -2.599 -4.357 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.543 -2.709 -2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.871 -5.254 -1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.758 -3.995 -1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.338 -4.922 -3.578 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.477 -4.066 -4.880 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.669 -5.379 -3.991 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.661 -4.136 0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.654 -2.570 -0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.785 -3.848 -0.921 1.00 0.00 H new ATOM 1007 N LYS A 63 -3.163 -0.658 -2.815 1.00 0.00 N ATOM 1008 CA LYS A 63 -2.770 0.460 -1.971 1.00 0.00 C ATOM 1009 C LYS A 63 -3.974 1.096 -1.288 1.00 0.00 C ATOM 1010 O LYS A 63 -5.074 1.121 -1.837 1.00 0.00 O ATOM 1011 CB LYS A 63 -2.019 1.514 -2.783 1.00 0.00 C ATOM 1012 CG LYS A 63 -0.936 0.936 -3.678 1.00 0.00 C ATOM 1013 CD LYS A 63 -1.523 0.319 -4.938 1.00 0.00 C ATOM 1014 CE LYS A 63 -0.533 0.358 -6.092 1.00 0.00 C ATOM 1015 NZ LYS A 63 -1.199 0.689 -7.382 1.00 0.00 N ATOM 0 H LYS A 63 -3.526 -0.396 -3.732 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.108 0.066 -1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.732 2.063 -3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.568 2.233 -2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.231 1.721 -3.951 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.374 0.180 -3.129 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.810 -0.713 -4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.430 0.854 -5.218 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.240 1.097 -5.882 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.036 -0.608 -6.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.793 0.107 -8.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.218 0.497 -7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.052 1.695 -7.600 1.00 0.00 H new ATOM 1029 N CYS A 64 -3.748 1.613 -0.086 1.00 0.00 N ATOM 1030 CA CYS A 64 -4.802 2.258 0.687 1.00 0.00 C ATOM 1031 C CYS A 64 -4.207 3.201 1.728 1.00 0.00 C ATOM 1032 O CYS A 64 -3.468 2.770 2.612 1.00 0.00 O ATOM 1033 CB CYS A 64 -5.670 1.207 1.378 1.00 0.00 C ATOM 1034 SG CYS A 64 -6.913 0.448 0.306 1.00 0.00 S ATOM 0 H CYS A 64 -2.839 1.598 0.376 1.00 0.00 H new ATOM 0 HA CYS A 64 -5.420 2.838 0.002 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -5.024 0.425 1.777 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -6.173 1.669 2.227 1.00 0.00 H new ATOM 0 HG CYS A 64 -6.388 0.195 -0.856 1.00 0.00 H new ATOM 1040 N HIS A 65 -4.531 4.490 1.618 1.00 0.00 N ATOM 1041 CA HIS A 65 -4.020 5.497 2.559 1.00 0.00 C ATOM 1042 C HIS A 65 -4.053 4.979 3.986 1.00 0.00 C ATOM 1043 O HIS A 65 -5.053 4.419 4.432 1.00 0.00 O ATOM 1044 CB HIS A 65 -4.821 6.811 2.510 1.00 0.00 C ATOM 1045 CG HIS A 65 -5.826 6.892 1.408 1.00 0.00 C ATOM 1046 ND1 HIS A 65 -6.960 6.193 1.266 1.00 0.00 N flip ATOM 1047 CD2 HIS A 65 -5.755 7.731 0.315 1.00 0.00 C flip ATOM 1048 CE1 HIS A 65 -7.609 6.573 0.104 1.00 0.00 C flip ATOM 1049 NE2 HIS A 65 -6.847 7.504 -0.441 1.00 0.00 N flip ATOM 0 H HIS A 65 -5.142 4.864 0.892 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.994 5.696 2.250 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.335 6.942 3.462 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.123 7.642 2.408 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.968 8.440 0.104 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -8.543 6.188 -0.277 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -7.057 7.986 -1.315 1.00 0.00 H new ATOM 1057 N LYS A 66 -2.967 5.207 4.710 1.00 0.00 N ATOM 1058 CA LYS A 66 -2.891 4.800 6.101 1.00 0.00 C ATOM 1059 C LYS A 66 -4.115 5.328 6.842 1.00 0.00 C ATOM 1060 O LYS A 66 -4.592 4.719 7.800 1.00 0.00 O ATOM 1061 CB LYS A 66 -1.606 5.328 6.741 1.00 0.00 C ATOM 1062 CG LYS A 66 -1.516 5.065 8.237 1.00 0.00 C ATOM 1063 CD LYS A 66 -0.232 4.335 8.607 1.00 0.00 C ATOM 1064 CE LYS A 66 -0.516 3.070 9.401 1.00 0.00 C ATOM 1065 NZ LYS A 66 0.717 2.515 10.022 1.00 0.00 N ATOM 0 H LYS A 66 -2.130 5.670 4.357 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.874 3.712 6.162 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.749 4.868 6.248 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.537 6.401 6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.564 6.011 8.776 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.375 4.473 8.554 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.317 4.081 7.700 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.408 4.996 9.192 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.248 3.287 10.179 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.960 2.322 8.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.480 1.653 10.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.407 2.284 9.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.127 3.219 10.668 1.00 0.00 H new ATOM 1079 N ASP A 67 -4.616 6.474 6.379 1.00 0.00 N ATOM 1080 CA ASP A 67 -5.783 7.108 6.976 1.00 0.00 C ATOM 1081 C ASP A 67 -6.945 6.127 7.129 1.00 0.00 C ATOM 1082 O ASP A 67 -7.586 6.081 8.179 1.00 0.00 O ATOM 1083 CB ASP A 67 -6.224 8.305 6.133 1.00 0.00 C ATOM 1084 CG ASP A 67 -5.225 9.444 6.177 1.00 0.00 C ATOM 1085 OD1 ASP A 67 -4.008 9.166 6.159 1.00 0.00 O ATOM 1086 OD2 ASP A 67 -5.660 10.613 6.230 1.00 0.00 O ATOM 0 H ASP A 67 -4.225 6.982 5.586 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.497 7.448 7.971 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.362 7.987 5.100 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.191 8.660 6.489 1.00 0.00 H new ATOM 1091 N HIS A 68 -7.227 5.346 6.082 1.00 0.00 N ATOM 1092 CA HIS A 68 -8.338 4.384 6.149 1.00 0.00 C ATOM 1093 C HIS A 68 -8.197 3.466 7.361 1.00 0.00 C ATOM 1094 O HIS A 68 -9.156 3.253 8.103 1.00 0.00 O ATOM 1095 CB HIS A 68 -8.433 3.538 4.875 1.00 0.00 C ATOM 1096 CG HIS A 68 -9.060 4.263 3.727 1.00 0.00 C ATOM 1097 ND1 HIS A 68 -10.094 5.166 3.856 1.00 0.00 N ATOM 1098 CD2 HIS A 68 -8.719 4.270 2.418 1.00 0.00 C ATOM 1099 CE1 HIS A 68 -10.337 5.690 2.645 1.00 0.00 C ATOM 1100 NE2 HIS A 68 -9.527 5.180 1.738 1.00 0.00 N ATOM 0 H HIS A 68 -6.718 5.356 5.198 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.254 4.966 6.246 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -7.433 3.213 4.588 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -9.011 2.639 5.087 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -10.587 5.395 4.719 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.943 3.666 1.970 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -11.095 6.431 2.440 1.00 0.00 H new ATOM 1108 N MET A 69 -6.999 2.925 7.556 1.00 0.00 N ATOM 1109 CA MET A 69 -6.741 2.031 8.678 1.00 0.00 C ATOM 1110 C MET A 69 -6.847 2.775 10.006 1.00 0.00 C ATOM 1111 O MET A 69 -7.536 2.329 10.925 1.00 0.00 O ATOM 1112 CB MET A 69 -5.356 1.397 8.544 1.00 0.00 C ATOM 1113 CG MET A 69 -5.010 0.443 9.675 1.00 0.00 C ATOM 1114 SD MET A 69 -6.129 -0.971 9.759 1.00 0.00 S ATOM 1115 CE MET A 69 -6.231 -1.426 8.030 1.00 0.00 C ATOM 0 H MET A 69 -6.193 3.090 6.953 1.00 0.00 H new ATOM 0 HA MET A 69 -7.496 1.245 8.663 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.302 0.859 7.597 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.606 2.187 8.505 1.00 0.00 H new ATOM 0 HG2 MET A 69 -3.989 0.086 9.544 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.040 0.982 10.622 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.402 -2.499 7.946 1.00 0.00 H new ATOM 0 HE2 MET A 69 -7.055 -0.889 7.561 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.298 -1.167 7.530 1.00 0.00 H new ATOM 1125 N ASP A 70 -6.163 3.910 10.101 1.00 0.00 N ATOM 1126 CA ASP A 70 -6.178 4.716 11.316 1.00 0.00 C ATOM 1127 C ASP A 70 -7.601 5.139 11.674 1.00 0.00 C ATOM 1128 O ASP A 70 -7.932 5.310 12.847 1.00 0.00 O ATOM 1129 CB ASP A 70 -5.295 5.954 11.144 1.00 0.00 C ATOM 1130 CG ASP A 70 -4.408 6.202 12.350 1.00 0.00 C ATOM 1131 OD1 ASP A 70 -3.472 5.405 12.574 1.00 0.00 O ATOM 1132 OD2 ASP A 70 -4.649 7.195 13.069 1.00 0.00 O ATOM 0 H ASP A 70 -5.590 4.293 9.349 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.784 4.106 12.129 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.673 5.833 10.257 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.926 6.827 10.974 1.00 0.00 H new ATOM 1137 N LYS A 71 -8.436 5.307 10.655 1.00 0.00 N ATOM 1138 CA LYS A 71 -9.823 5.712 10.861 1.00 0.00 C ATOM 1139 C LYS A 71 -10.722 4.501 11.106 1.00 0.00 C ATOM 1140 O LYS A 71 -11.823 4.637 11.640 1.00 0.00 O ATOM 1141 CB LYS A 71 -10.328 6.501 9.652 1.00 0.00 C ATOM 1142 CG LYS A 71 -9.526 7.762 9.373 1.00 0.00 C ATOM 1143 CD LYS A 71 -10.240 9.003 9.888 1.00 0.00 C ATOM 1144 CE LYS A 71 -9.265 9.984 10.519 1.00 0.00 C ATOM 1145 NZ LYS A 71 -9.815 10.588 11.766 1.00 0.00 N ATOM 0 H LYS A 71 -8.178 5.169 9.678 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.859 6.348 11.746 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.299 5.859 8.771 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.371 6.772 9.815 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.546 7.683 9.844 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.357 7.857 8.300 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.766 9.489 9.066 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.992 8.713 10.621 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.330 9.472 10.745 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.031 10.774 9.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.121 11.251 12.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.694 11.098 11.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.014 9.837 12.457 1.00 0.00 H new ATOM 1159 N LYS A 72 -10.250 3.320 10.715 1.00 0.00 N ATOM 1160 CA LYS A 72 -11.016 2.094 10.897 1.00 0.00 C ATOM 1161 C LYS A 72 -12.311 2.135 10.088 1.00 0.00 C ATOM 1162 O LYS A 72 -13.393 1.863 10.609 1.00 0.00 O ATOM 1163 CB LYS A 72 -11.323 1.875 12.380 1.00 0.00 C ATOM 1164 CG LYS A 72 -11.003 0.471 12.863 1.00 0.00 C ATOM 1165 CD LYS A 72 -11.771 -0.577 12.073 1.00 0.00 C ATOM 1166 CE LYS A 72 -13.210 -0.688 12.548 1.00 0.00 C ATOM 1167 NZ LYS A 72 -13.967 -1.723 11.791 1.00 0.00 N ATOM 0 H LYS A 72 -9.341 3.188 10.271 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.415 1.260 10.535 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.754 2.593 12.971 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.378 2.081 12.559 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.933 0.288 12.769 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.249 0.384 13.921 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.755 -0.320 11.014 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.278 -1.544 12.174 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.224 -0.933 13.610 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.704 0.277 12.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.944 -1.767 12.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.976 -1.477 10.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.511 -2.649 11.918 1.00 0.00 H new ATOM 1181 N GLU A 73 -12.190 2.476 8.810 1.00 0.00 N ATOM 1182 CA GLU A 73 -13.344 2.554 7.925 1.00 0.00 C ATOM 1183 C GLU A 73 -13.857 1.164 7.580 1.00 0.00 C ATOM 1184 O GLU A 73 -13.084 0.212 7.472 1.00 0.00 O ATOM 1185 CB GLU A 73 -12.978 3.303 6.641 1.00 0.00 C ATOM 1186 CG GLU A 73 -12.573 4.749 6.872 1.00 0.00 C ATOM 1187 CD GLU A 73 -13.120 5.684 5.811 1.00 0.00 C ATOM 1188 OE1 GLU A 73 -14.358 5.782 5.687 1.00 0.00 O ATOM 1189 OE2 GLU A 73 -12.308 6.319 5.104 1.00 0.00 O ATOM 0 H GLU A 73 -11.301 2.703 8.364 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.133 3.097 8.445 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.159 2.780 6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.829 3.278 5.961 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.928 5.070 7.852 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.485 4.820 6.888 1.00 0.00 H new ATOM 1196 N GLU A 74 -15.166 1.056 7.393 1.00 0.00 N ATOM 1197 CA GLU A 74 -15.789 -0.215 7.043 1.00 0.00 C ATOM 1198 C GLU A 74 -15.894 -0.351 5.528 1.00 0.00 C ATOM 1199 O GLU A 74 -16.891 -0.845 5.002 1.00 0.00 O ATOM 1200 CB GLU A 74 -17.177 -0.324 7.678 1.00 0.00 C ATOM 1201 CG GLU A 74 -18.161 0.716 7.171 1.00 0.00 C ATOM 1202 CD GLU A 74 -19.604 0.339 7.449 1.00 0.00 C ATOM 1203 OE1 GLU A 74 -19.974 0.247 8.638 1.00 0.00 O ATOM 1204 OE2 GLU A 74 -20.363 0.136 6.478 1.00 0.00 O ATOM 0 H GLU A 74 -15.819 1.835 7.478 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.166 -1.023 7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.579 -1.318 7.483 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -17.081 -0.225 8.759 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.943 1.676 7.640 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.024 0.847 6.098 1.00 0.00 H new ATOM 1211 N ILE A 75 -14.854 0.101 4.834 1.00 0.00 N ATOM 1212 CA ILE A 75 -14.813 0.046 3.380 1.00 0.00 C ATOM 1213 C ILE A 75 -13.748 -0.934 2.895 1.00 0.00 C ATOM 1214 O ILE A 75 -13.870 -1.515 1.816 1.00 0.00 O ATOM 1215 CB ILE A 75 -14.535 1.442 2.788 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -13.160 1.950 3.243 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -15.633 2.411 3.204 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -12.943 3.431 3.004 1.00 0.00 C ATOM 0 H ILE A 75 -14.024 0.512 5.261 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.789 -0.300 3.039 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.528 1.371 1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.040 1.742 4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.385 1.390 2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -15.429 3.395 2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.594 2.051 2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -15.663 2.482 4.291 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.949 3.714 3.352 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -13.029 3.644 1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -13.694 4.002 3.550 1.00 0.00 H new ATOM 1230 N ILE A 76 -12.708 -1.115 3.702 1.00 0.00 N ATOM 1231 CA ILE A 76 -11.622 -2.026 3.362 1.00 0.00 C ATOM 1232 C ILE A 76 -12.060 -3.479 3.524 1.00 0.00 C ATOM 1233 O ILE A 76 -12.575 -3.869 4.572 1.00 0.00 O ATOM 1234 CB ILE A 76 -10.383 -1.773 4.246 1.00 0.00 C ATOM 1235 CG1 ILE A 76 -9.924 -0.321 4.115 1.00 0.00 C ATOM 1236 CG2 ILE A 76 -9.255 -2.727 3.878 1.00 0.00 C ATOM 1237 CD1 ILE A 76 -9.146 0.178 5.313 1.00 0.00 C ATOM 0 H ILE A 76 -12.595 -0.641 4.598 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.361 -1.840 2.320 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.658 -1.957 5.285 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.304 -0.223 3.223 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.797 0.315 3.968 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.391 -2.531 4.513 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.586 -3.755 4.023 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -8.979 -2.578 2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.853 1.215 5.150 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.770 0.113 6.205 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.254 -0.434 5.448 1.00 0.00 H new ATOM 1249 N ALA A 77 -11.851 -4.277 2.481 1.00 0.00 N ATOM 1250 CA ALA A 77 -12.224 -5.685 2.519 1.00 0.00 C ATOM 1251 C ALA A 77 -11.001 -6.579 2.666 1.00 0.00 C ATOM 1252 O ALA A 77 -9.871 -6.148 2.430 1.00 0.00 O ATOM 1253 CB ALA A 77 -12.997 -6.073 1.268 1.00 0.00 C ATOM 0 H ALA A 77 -11.428 -3.974 1.604 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.863 -5.829 3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.265 -7.128 1.318 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.903 -5.471 1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.378 -5.898 0.388 1.00 0.00 H new ATOM 1259 N PRO A 78 -11.217 -7.843 3.054 1.00 0.00 N ATOM 1260 CA PRO A 78 -10.134 -8.811 3.231 1.00 0.00 C ATOM 1261 C PRO A 78 -9.433 -9.149 1.918 1.00 0.00 C ATOM 1262 O PRO A 78 -9.948 -8.862 0.837 1.00 0.00 O ATOM 1263 CB PRO A 78 -10.842 -10.050 3.784 1.00 0.00 C ATOM 1264 CG PRO A 78 -12.267 -9.899 3.380 1.00 0.00 C ATOM 1265 CD PRO A 78 -12.538 -8.424 3.350 1.00 0.00 C ATOM 0 HA PRO A 78 -9.352 -8.422 3.883 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.412 -10.964 3.375 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -10.744 -10.108 4.868 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.444 -10.348 2.403 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -12.928 -10.402 4.086 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.272 -8.165 2.586 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.930 -8.068 4.303 1.00 0.00 H new ATOM 1273 N CYS A 79 -8.259 -9.764 2.022 1.00 0.00 N ATOM 1274 CA CYS A 79 -7.492 -10.150 0.842 1.00 0.00 C ATOM 1275 C CYS A 79 -8.186 -11.288 0.097 1.00 0.00 C ATOM 1276 O CYS A 79 -8.825 -12.141 0.710 1.00 0.00 O ATOM 1277 CB CYS A 79 -6.077 -10.571 1.241 1.00 0.00 C ATOM 1278 SG CYS A 79 -4.857 -10.433 -0.111 1.00 0.00 S ATOM 0 H CYS A 79 -7.818 -10.006 2.910 1.00 0.00 H new ATOM 0 HA CYS A 79 -7.429 -9.287 0.178 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.748 -9.956 2.079 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.101 -11.603 1.592 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.134 -9.367 0.064 1.00 0.00 H new ATOM 1283 N LYS A 80 -8.063 -11.288 -1.226 1.00 0.00 N ATOM 1284 CA LYS A 80 -8.687 -12.319 -2.049 1.00 0.00 C ATOM 1285 C LYS A 80 -7.693 -13.421 -2.408 1.00 0.00 C ATOM 1286 O LYS A 80 -8.024 -14.606 -2.359 1.00 0.00 O ATOM 1287 CB LYS A 80 -9.263 -11.702 -3.325 1.00 0.00 C ATOM 1288 CG LYS A 80 -8.212 -11.089 -4.236 1.00 0.00 C ATOM 1289 CD LYS A 80 -8.797 -9.979 -5.093 1.00 0.00 C ATOM 1290 CE LYS A 80 -9.334 -10.517 -6.410 1.00 0.00 C ATOM 1291 NZ LYS A 80 -10.430 -9.668 -6.952 1.00 0.00 N ATOM 0 H LYS A 80 -7.539 -10.588 -1.751 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.494 -12.765 -1.468 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.806 -12.470 -3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.987 -10.934 -3.052 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.394 -10.693 -3.634 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.790 -11.862 -4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.599 -9.481 -4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.032 -9.228 -5.290 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.524 -10.571 -7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.700 -11.533 -6.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.768 -10.069 -7.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.214 -9.636 -6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.074 -8.704 -7.115 1.00 0.00 H new ATOM 1305 N VAL A 81 -6.478 -13.026 -2.772 1.00 0.00 N ATOM 1306 CA VAL A 81 -5.443 -13.985 -3.143 1.00 0.00 C ATOM 1307 C VAL A 81 -5.132 -14.945 -1.996 1.00 0.00 C ATOM 1308 O VAL A 81 -4.579 -16.023 -2.213 1.00 0.00 O ATOM 1309 CB VAL A 81 -4.145 -13.275 -3.571 1.00 0.00 C ATOM 1310 CG1 VAL A 81 -4.406 -12.349 -4.749 1.00 0.00 C ATOM 1311 CG2 VAL A 81 -3.536 -12.510 -2.403 1.00 0.00 C ATOM 0 H VAL A 81 -6.185 -12.050 -2.818 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.834 -14.554 -3.987 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.428 -14.033 -3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.477 -11.856 -5.037 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.785 -12.929 -5.590 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.142 -11.597 -4.465 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.620 -12.017 -2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.245 -11.762 -2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.306 -13.203 -1.594 1.00 0.00 H new