USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 789 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 80 ASN : amide:sc= -3.29! C(o=-3.3!,f=-5.6!) USER MOD Set 1.2: A 96 MET CE :methyl -171:sc= -0.0433 (180deg=0) USER MOD Set 2.1: A 71 GLN : amide:sc= -0.615 K(o=-0.75,f=-1.4) USER MOD Set 2.2: A 75 ASN : amide:sc= -0.139 K(o=-0.75,f=-2.4) USER MOD Set 3.1: A 67 ASN : amide:sc= -0.0246 X(o=-0.025,f=-0.025) USER MOD Set 3.2: A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.29) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -2.53! K(o=-2.5!,f=-0.7) USER MOD Single : A 41 SER OG : rot 180:sc= -0.366 USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= -4.99! (180deg=-5.62!) USER MOD Single : A 53 TYR OH : rot -165:sc= 0.0491 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -111:sc= -1.53 (180deg=-4.35!) USER MOD Single : A 61 HIS : no HD1:sc= -0.0183 X(o=-0.018,f=-0.018) USER MOD Single : A 62 ASN : amide:sc= -0.84 K(o=-0.84,f=-0.024) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.253 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -138:sc= -0.0479 (180deg=-1.31) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.554 X(o=-0.55,f=-0.54) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -151:sc= -0.601 (180deg=-1.72!) USER MOD Single : A 88 ASN : amide:sc= -0.0219 K(o=-0.022,f=-1.2) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -3.45! K(o=-3.4!,f=-1.2) USER MOD Single : A 102 CYS SG : rot -23:sc= 0.00131 USER MOD Single : A 116 GLN : amide:sc= -0.802 K(o=-0.8,f=-5.3!) USER MOD Single : A 122 GLN : amide:sc= -0.034 K(o=-0.034,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 220 N GLN A 19 8.848 14.584 1.732 1.00 0.00 N ATOM 221 CA GLN A 19 9.626 13.387 2.031 1.00 0.00 C ATOM 222 C GLN A 19 8.870 12.129 1.616 1.00 0.00 C ATOM 223 O GLN A 19 9.448 11.206 1.040 1.00 0.00 O ATOM 224 CB GLN A 19 9.957 13.329 3.523 1.00 0.00 C ATOM 225 CG GLN A 19 10.901 14.429 3.980 1.00 0.00 C ATOM 226 CD GLN A 19 12.102 14.584 3.068 1.00 0.00 C ATOM 227 OE1 GLN A 19 13.048 13.798 3.128 1.00 0.00 O ATOM 228 NE2 GLN A 19 12.070 15.601 2.215 1.00 0.00 N ATOM 0 HA GLN A 19 10.554 13.435 1.462 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.031 13.395 4.095 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.403 12.361 3.750 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.358 15.373 4.023 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.244 14.211 4.992 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.266 16.228 2.199 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.850 15.755 1.576 1.00 0.00 H new ATOM 237 N LEU A 20 7.575 12.098 1.911 1.00 0.00 N ATOM 238 CA LEU A 20 6.740 10.952 1.569 1.00 0.00 C ATOM 239 C LEU A 20 6.562 10.840 0.058 1.00 0.00 C ATOM 240 O LEU A 20 6.553 9.740 -0.495 1.00 0.00 O ATOM 241 CB LEU A 20 5.374 11.072 2.247 1.00 0.00 C ATOM 242 CG LEU A 20 4.284 10.130 1.733 1.00 0.00 C ATOM 243 CD1 LEU A 20 4.295 8.825 2.513 1.00 0.00 C ATOM 244 CD2 LEU A 20 2.919 10.795 1.821 1.00 0.00 C ATOM 0 H LEU A 20 7.081 12.853 2.386 1.00 0.00 H new ATOM 0 HA LEU A 20 7.238 10.051 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.504 10.896 3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.023 12.098 2.133 1.00 0.00 H new ATOM 0 HG LEU A 20 4.489 9.905 0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.513 8.168 2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.264 8.340 2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.116 9.030 3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.156 10.110 1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.705 11.050 2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.916 11.702 1.216 1.00 0.00 H new ATOM 256 N TYR A 21 6.425 11.983 -0.603 1.00 0.00 N ATOM 257 CA TYR A 21 6.248 12.013 -2.050 1.00 0.00 C ATOM 258 C TYR A 21 7.455 11.405 -2.759 1.00 0.00 C ATOM 259 O TYR A 21 7.328 10.822 -3.836 1.00 0.00 O ATOM 260 CB TYR A 21 6.032 13.450 -2.529 1.00 0.00 C ATOM 261 CG TYR A 21 4.594 13.909 -2.435 1.00 0.00 C ATOM 262 CD1 TYR A 21 3.943 13.971 -1.209 1.00 0.00 C ATOM 263 CD2 TYR A 21 3.887 14.280 -3.572 1.00 0.00 C ATOM 264 CE1 TYR A 21 2.629 14.390 -1.119 1.00 0.00 C ATOM 265 CE2 TYR A 21 2.574 14.701 -3.491 1.00 0.00 C ATOM 266 CZ TYR A 21 1.949 14.754 -2.262 1.00 0.00 C ATOM 267 OH TYR A 21 0.641 15.171 -2.178 1.00 0.00 O ATOM 0 H TYR A 21 6.433 12.902 -0.160 1.00 0.00 H new ATOM 0 HA TYR A 21 5.368 11.419 -2.295 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.658 14.119 -1.938 1.00 0.00 H new ATOM 0 HB3 TYR A 21 6.364 13.533 -3.564 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.473 13.687 -0.312 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.372 14.238 -4.536 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.137 14.432 -0.158 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.039 14.987 -4.385 1.00 0.00 H new ATOM 0 HH TYR A 21 0.310 15.391 -3.074 1.00 0.00 H new ATOM 277 N LEU A 22 8.625 11.546 -2.146 1.00 0.00 N ATOM 278 CA LEU A 22 9.856 11.010 -2.717 1.00 0.00 C ATOM 279 C LEU A 22 9.847 9.485 -2.698 1.00 0.00 C ATOM 280 O LEU A 22 10.006 8.841 -3.734 1.00 0.00 O ATOM 281 CB LEU A 22 11.069 11.534 -1.945 1.00 0.00 C ATOM 282 CG LEU A 22 11.209 13.054 -1.867 1.00 0.00 C ATOM 283 CD1 LEU A 22 12.071 13.451 -0.678 1.00 0.00 C ATOM 284 CD2 LEU A 22 11.795 13.604 -3.159 1.00 0.00 C ATOM 0 H LEU A 22 8.747 12.026 -1.255 1.00 0.00 H new ATOM 0 HA LEU A 22 9.921 11.341 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.026 11.141 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.970 11.129 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 22 10.216 13.483 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.159 14.537 -0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.610 13.091 0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 22 13.062 13.010 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.887 14.688 -3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.779 13.167 -3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.139 13.352 -3.992 1.00 0.00 H new ATOM 296 N TRP A 23 9.657 8.915 -1.513 1.00 0.00 N ATOM 297 CA TRP A 23 9.625 7.465 -1.360 1.00 0.00 C ATOM 298 C TRP A 23 8.853 6.814 -2.502 1.00 0.00 C ATOM 299 O TRP A 23 9.361 5.919 -3.177 1.00 0.00 O ATOM 300 CB TRP A 23 8.992 7.087 -0.019 1.00 0.00 C ATOM 301 CG TRP A 23 8.403 5.709 -0.008 1.00 0.00 C ATOM 302 CD1 TRP A 23 9.053 4.537 -0.268 1.00 0.00 C ATOM 303 CD2 TRP A 23 7.043 5.361 0.276 1.00 0.00 C ATOM 304 NE1 TRP A 23 8.180 3.481 -0.163 1.00 0.00 N ATOM 305 CE2 TRP A 23 6.941 3.960 0.171 1.00 0.00 C ATOM 306 CE3 TRP A 23 5.903 6.096 0.610 1.00 0.00 C ATOM 307 CZ2 TRP A 23 5.744 3.283 0.387 1.00 0.00 C ATOM 308 CZ3 TRP A 23 4.715 5.423 0.824 1.00 0.00 C ATOM 309 CH2 TRP A 23 4.643 4.028 0.713 1.00 0.00 C ATOM 0 H TRP A 23 9.523 9.434 -0.645 1.00 0.00 H new ATOM 0 HA TRP A 23 10.651 7.099 -1.385 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.747 7.158 0.764 1.00 0.00 H new ATOM 0 HB3 TRP A 23 8.213 7.809 0.223 1.00 0.00 H new ATOM 0 HD1 TRP A 23 10.100 4.452 -0.519 1.00 0.00 H new ATOM 0 HE1 TRP A 23 8.416 2.500 -0.310 1.00 0.00 H new ATOM 0 HE3 TRP A 23 5.949 7.171 0.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 5.686 2.208 0.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 3.827 5.982 1.081 1.00 0.00 H new ATOM 0 HH2 TRP A 23 3.700 3.531 0.888 1.00 0.00 H new ATOM 320 N VAL A 24 7.622 7.268 -2.713 1.00 0.00 N ATOM 321 CA VAL A 24 6.780 6.730 -3.775 1.00 0.00 C ATOM 322 C VAL A 24 7.335 7.085 -5.150 1.00 0.00 C ATOM 323 O VAL A 24 7.578 6.207 -5.978 1.00 0.00 O ATOM 324 CB VAL A 24 5.336 7.254 -3.666 1.00 0.00 C ATOM 325 CG1 VAL A 24 4.479 6.696 -4.792 1.00 0.00 C ATOM 326 CG2 VAL A 24 4.743 6.904 -2.310 1.00 0.00 C ATOM 0 H VAL A 24 7.185 8.007 -2.162 1.00 0.00 H new ATOM 0 HA VAL A 24 6.776 5.646 -3.657 1.00 0.00 H new ATOM 0 HB VAL A 24 5.354 8.340 -3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.462 7.077 -4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.895 7.003 -5.752 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.465 5.608 -4.734 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.722 7.282 -2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.737 5.821 -2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.344 7.357 -1.522 1.00 0.00 H new ATOM 336 N ASP A 25 7.534 8.377 -5.386 1.00 0.00 N ATOM 337 CA ASP A 25 8.063 8.849 -6.660 1.00 0.00 C ATOM 338 C ASP A 25 9.143 7.907 -7.183 1.00 0.00 C ATOM 339 O ASP A 25 9.214 7.632 -8.380 1.00 0.00 O ATOM 340 CB ASP A 25 8.630 10.262 -6.509 1.00 0.00 C ATOM 341 CG ASP A 25 9.652 10.593 -7.580 1.00 0.00 C ATOM 342 OD1 ASP A 25 9.457 10.166 -8.737 1.00 0.00 O ATOM 343 OD2 ASP A 25 10.646 11.278 -7.260 1.00 0.00 O ATOM 0 H ASP A 25 7.337 9.116 -4.711 1.00 0.00 H new ATOM 0 HA ASP A 25 7.245 8.869 -7.380 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.815 10.984 -6.553 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.092 10.362 -5.527 1.00 0.00 H new ATOM 348 N ASN A 26 9.983 7.417 -6.276 1.00 0.00 N ATOM 349 CA ASN A 26 11.061 6.507 -6.646 1.00 0.00 C ATOM 350 C ASN A 26 10.503 5.198 -7.198 1.00 0.00 C ATOM 351 O ASN A 26 10.978 4.688 -8.213 1.00 0.00 O ATOM 352 CB ASN A 26 11.954 6.223 -5.437 1.00 0.00 C ATOM 353 CG ASN A 26 13.096 5.283 -5.770 1.00 0.00 C ATOM 354 OD1 ASN A 26 14.260 5.684 -5.793 1.00 0.00 O ATOM 355 ND2 ASN A 26 12.768 4.023 -6.031 1.00 0.00 N ATOM 0 H ASN A 26 9.938 7.635 -5.281 1.00 0.00 H new ATOM 0 HA ASN A 26 11.655 6.985 -7.425 1.00 0.00 H new ATOM 0 HB2 ASN A 26 12.358 7.162 -5.059 1.00 0.00 H new ATOM 0 HB3 ASN A 26 11.352 5.790 -4.638 1.00 0.00 H new ATOM 0 HD21 ASN A 26 13.494 3.344 -6.262 1.00 0.00 H new ATOM 0 HD22 ASN A 26 11.790 3.734 -6.001 1.00 0.00 H new ATOM 362 N ILE A 27 9.492 4.661 -6.523 1.00 0.00 N ATOM 363 CA ILE A 27 8.868 3.414 -6.946 1.00 0.00 C ATOM 364 C ILE A 27 8.237 3.555 -8.327 1.00 0.00 C ATOM 365 O ILE A 27 7.366 4.395 -8.556 1.00 0.00 O ATOM 366 CB ILE A 27 7.790 2.955 -5.946 1.00 0.00 C ATOM 367 CG1 ILE A 27 8.382 2.846 -4.539 1.00 0.00 C ATOM 368 CG2 ILE A 27 7.196 1.624 -6.381 1.00 0.00 C ATOM 369 CD1 ILE A 27 7.351 2.970 -3.439 1.00 0.00 C ATOM 0 H ILE A 27 9.088 5.070 -5.681 1.00 0.00 H new ATOM 0 HA ILE A 27 9.658 2.664 -6.985 1.00 0.00 H new ATOM 0 HB ILE A 27 6.992 3.698 -5.928 1.00 0.00 H new ATOM 0 HG12 ILE A 27 8.892 1.888 -4.441 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.135 3.623 -4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.436 1.313 -5.664 1.00 0.00 H new ATOM 0 HG22 ILE A 27 6.743 1.732 -7.366 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.983 0.871 -6.425 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.841 2.883 -2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.857 3.939 -3.511 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.611 2.177 -3.543 1.00 0.00 H new ATOM 577 N ASP A 39 -5.822 8.463 -7.960 1.00 0.00 N ATOM 578 CA ASP A 39 -5.325 7.094 -8.046 1.00 0.00 C ATOM 579 C ASP A 39 -5.210 6.470 -6.659 1.00 0.00 C ATOM 580 O ASP A 39 -5.891 5.492 -6.349 1.00 0.00 O ATOM 581 CB ASP A 39 -3.965 7.066 -8.746 1.00 0.00 C ATOM 582 CG ASP A 39 -3.878 8.066 -9.883 1.00 0.00 C ATOM 583 OD1 ASP A 39 -4.921 8.657 -10.235 1.00 0.00 O ATOM 584 OD2 ASP A 39 -2.768 8.258 -10.420 1.00 0.00 O ATOM 0 HA ASP A 39 -6.037 6.511 -8.629 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.181 7.278 -8.019 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.779 6.064 -9.132 1.00 0.00 H new ATOM 589 N PHE A 40 -4.343 7.040 -5.829 1.00 0.00 N ATOM 590 CA PHE A 40 -4.137 6.538 -4.475 1.00 0.00 C ATOM 591 C PHE A 40 -5.454 6.071 -3.862 1.00 0.00 C ATOM 592 O PHE A 40 -5.517 5.017 -3.229 1.00 0.00 O ATOM 593 CB PHE A 40 -3.508 7.621 -3.597 1.00 0.00 C ATOM 594 CG PHE A 40 -2.008 7.652 -3.665 1.00 0.00 C ATOM 595 CD1 PHE A 40 -1.258 6.589 -3.188 1.00 0.00 C ATOM 596 CD2 PHE A 40 -1.348 8.744 -4.204 1.00 0.00 C ATOM 597 CE1 PHE A 40 0.123 6.614 -3.249 1.00 0.00 C ATOM 598 CE2 PHE A 40 0.032 8.774 -4.268 1.00 0.00 C ATOM 599 CZ PHE A 40 0.769 7.708 -3.789 1.00 0.00 C ATOM 0 H PHE A 40 -3.772 7.850 -6.070 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.460 5.686 -4.529 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.897 8.593 -3.898 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.814 7.462 -2.563 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.758 5.731 -2.764 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.918 9.581 -4.578 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.696 5.778 -2.875 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.534 9.631 -4.692 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.848 7.731 -3.837 1.00 0.00 H new ATOM 609 N SER A 41 -6.503 6.864 -4.054 1.00 0.00 N ATOM 610 CA SER A 41 -7.818 6.535 -3.517 1.00 0.00 C ATOM 611 C SER A 41 -8.059 5.029 -3.554 1.00 0.00 C ATOM 612 O SER A 41 -8.405 4.419 -2.541 1.00 0.00 O ATOM 613 CB SER A 41 -8.911 7.257 -4.307 1.00 0.00 C ATOM 614 OG SER A 41 -9.066 6.691 -5.597 1.00 0.00 O ATOM 0 H SER A 41 -6.468 7.739 -4.577 1.00 0.00 H new ATOM 0 HA SER A 41 -7.852 6.866 -2.479 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.855 7.198 -3.765 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.661 8.314 -4.398 1.00 0.00 H new ATOM 0 HG SER A 41 -9.771 7.169 -6.081 1.00 0.00 H new ATOM 620 N ASP A 42 -7.874 4.436 -4.728 1.00 0.00 N ATOM 621 CA ASP A 42 -8.070 3.001 -4.898 1.00 0.00 C ATOM 622 C ASP A 42 -6.946 2.215 -4.230 1.00 0.00 C ATOM 623 O ASP A 42 -5.768 2.443 -4.502 1.00 0.00 O ATOM 624 CB ASP A 42 -8.142 2.647 -6.385 1.00 0.00 C ATOM 625 CG ASP A 42 -8.807 1.307 -6.630 1.00 0.00 C ATOM 626 OD1 ASP A 42 -9.097 0.599 -5.642 1.00 0.00 O ATOM 627 OD2 ASP A 42 -9.038 0.967 -7.808 1.00 0.00 O ATOM 0 H ASP A 42 -7.589 4.926 -5.576 1.00 0.00 H new ATOM 0 HA ASP A 42 -9.012 2.730 -4.421 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.693 3.425 -6.914 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.135 2.631 -6.801 1.00 0.00 H new ATOM 632 N GLY A 43 -7.319 1.290 -3.351 1.00 0.00 N ATOM 633 CA GLY A 43 -6.330 0.486 -2.656 1.00 0.00 C ATOM 634 C GLY A 43 -5.464 -0.318 -3.606 1.00 0.00 C ATOM 635 O GLY A 43 -4.244 -0.373 -3.450 1.00 0.00 O ATOM 0 H GLY A 43 -8.288 1.083 -3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.696 1.136 -2.054 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.836 -0.192 -1.968 1.00 0.00 H new ATOM 639 N VAL A 44 -6.096 -0.944 -4.594 1.00 0.00 N ATOM 640 CA VAL A 44 -5.376 -1.750 -5.572 1.00 0.00 C ATOM 641 C VAL A 44 -4.017 -1.138 -5.894 1.00 0.00 C ATOM 642 O VAL A 44 -3.002 -1.836 -5.927 1.00 0.00 O ATOM 643 CB VAL A 44 -6.180 -1.899 -6.877 1.00 0.00 C ATOM 644 CG1 VAL A 44 -5.358 -2.624 -7.932 1.00 0.00 C ATOM 645 CG2 VAL A 44 -7.489 -2.629 -6.615 1.00 0.00 C ATOM 0 H VAL A 44 -7.105 -0.908 -4.738 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.233 -2.735 -5.127 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.414 -0.904 -7.255 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.943 -2.720 -8.847 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.450 -2.057 -8.139 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.091 -3.616 -7.567 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.045 -2.726 -7.548 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.279 -3.620 -6.213 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.083 -2.065 -5.896 1.00 0.00 H new ATOM 655 N LEU A 45 -4.003 0.169 -6.130 1.00 0.00 N ATOM 656 CA LEU A 45 -2.767 0.876 -6.448 1.00 0.00 C ATOM 657 C LEU A 45 -1.803 0.847 -5.266 1.00 0.00 C ATOM 658 O LEU A 45 -0.632 0.498 -5.416 1.00 0.00 O ATOM 659 CB LEU A 45 -3.071 2.324 -6.837 1.00 0.00 C ATOM 660 CG LEU A 45 -1.859 3.208 -7.132 1.00 0.00 C ATOM 661 CD1 LEU A 45 -1.038 2.624 -8.271 1.00 0.00 C ATOM 662 CD2 LEU A 45 -2.301 4.626 -7.464 1.00 0.00 C ATOM 0 H LEU A 45 -4.833 0.761 -6.107 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.295 0.371 -7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.712 2.315 -7.718 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.643 2.783 -6.031 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.233 3.243 -6.240 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.179 3.266 -8.467 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.691 1.628 -7.996 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.654 2.558 -9.168 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.425 5.241 -7.671 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.948 4.609 -8.341 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.846 5.045 -6.618 1.00 0.00 H new ATOM 674 N VAL A 46 -2.304 1.213 -4.091 1.00 0.00 N ATOM 675 CA VAL A 46 -1.488 1.225 -2.883 1.00 0.00 C ATOM 676 C VAL A 46 -0.692 -0.067 -2.744 1.00 0.00 C ATOM 677 O VAL A 46 0.522 -0.042 -2.545 1.00 0.00 O ATOM 678 CB VAL A 46 -2.354 1.420 -1.623 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.490 1.387 -0.371 1.00 0.00 C ATOM 680 CG2 VAL A 46 -3.133 2.723 -1.709 1.00 0.00 C ATOM 0 H VAL A 46 -3.271 1.505 -3.950 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.799 2.064 -2.975 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.069 0.599 -1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.119 1.526 0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.982 0.425 -0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.750 2.186 -0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.739 2.845 -0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.437 3.558 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.782 2.702 -2.585 1.00 0.00 H new ATOM 690 N ALA A 47 -1.384 -1.196 -2.851 1.00 0.00 N ATOM 691 CA ALA A 47 -0.741 -2.500 -2.741 1.00 0.00 C ATOM 692 C ALA A 47 0.541 -2.551 -3.565 1.00 0.00 C ATOM 693 O ALA A 47 1.587 -2.975 -3.075 1.00 0.00 O ATOM 694 CB ALA A 47 -1.697 -3.599 -3.179 1.00 0.00 C ATOM 0 H ALA A 47 -2.390 -1.234 -3.014 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.476 -2.660 -1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.203 -4.567 -3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.583 -3.585 -2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.991 -3.434 -4.216 1.00 0.00 H new ATOM 700 N GLU A 48 0.451 -2.118 -4.818 1.00 0.00 N ATOM 701 CA GLU A 48 1.605 -2.117 -5.710 1.00 0.00 C ATOM 702 C GLU A 48 2.835 -1.547 -5.008 1.00 0.00 C ATOM 703 O GLU A 48 3.945 -2.056 -5.164 1.00 0.00 O ATOM 704 CB GLU A 48 1.302 -1.305 -6.971 1.00 0.00 C ATOM 705 CG GLU A 48 0.070 -1.783 -7.721 1.00 0.00 C ATOM 706 CD GLU A 48 0.388 -2.861 -8.738 1.00 0.00 C ATOM 707 OE1 GLU A 48 1.438 -2.758 -9.405 1.00 0.00 O ATOM 708 OE2 GLU A 48 -0.415 -3.809 -8.867 1.00 0.00 O ATOM 0 H GLU A 48 -0.408 -1.764 -5.239 1.00 0.00 H new ATOM 0 HA GLU A 48 1.815 -3.149 -5.992 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.166 -0.259 -6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.163 -1.350 -7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.659 -2.166 -7.007 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.394 -0.936 -8.227 1.00 0.00 H new ATOM 715 N VAL A 49 2.628 -0.486 -4.234 1.00 0.00 N ATOM 716 CA VAL A 49 3.718 0.154 -3.507 1.00 0.00 C ATOM 717 C VAL A 49 4.399 -0.828 -2.560 1.00 0.00 C ATOM 718 O VAL A 49 5.616 -0.790 -2.379 1.00 0.00 O ATOM 719 CB VAL A 49 3.219 1.366 -2.699 1.00 0.00 C ATOM 720 CG1 VAL A 49 4.335 1.927 -1.831 1.00 0.00 C ATOM 721 CG2 VAL A 49 2.668 2.436 -3.630 1.00 0.00 C ATOM 0 H VAL A 49 1.716 -0.052 -4.094 1.00 0.00 H new ATOM 0 HA VAL A 49 4.437 0.494 -4.252 1.00 0.00 H new ATOM 0 HB VAL A 49 2.413 1.036 -2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.963 2.783 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.679 1.159 -1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.165 2.242 -2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.320 3.285 -3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.452 2.764 -4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.837 2.026 -4.203 1.00 0.00 H new ATOM 731 N ILE A 50 3.605 -1.708 -1.959 1.00 0.00 N ATOM 732 CA ILE A 50 4.131 -2.702 -1.032 1.00 0.00 C ATOM 733 C ILE A 50 4.875 -3.807 -1.774 1.00 0.00 C ATOM 734 O ILE A 50 5.914 -4.286 -1.320 1.00 0.00 O ATOM 735 CB ILE A 50 3.009 -3.332 -0.185 1.00 0.00 C ATOM 736 CG1 ILE A 50 2.144 -2.241 0.448 1.00 0.00 C ATOM 737 CG2 ILE A 50 3.599 -4.237 0.886 1.00 0.00 C ATOM 738 CD1 ILE A 50 0.709 -2.661 0.671 1.00 0.00 C ATOM 0 H ILE A 50 2.595 -1.753 -2.098 1.00 0.00 H new ATOM 0 HA ILE A 50 4.824 -2.181 -0.371 1.00 0.00 H new ATOM 0 HB ILE A 50 2.378 -3.937 -0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.582 -1.950 1.403 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.161 -1.359 -0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.794 -4.675 1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.176 -5.032 0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.250 -3.654 1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.155 -1.838 1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.254 -2.924 -0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.682 -3.525 1.336 1.00 0.00 H new ATOM 750 N LYS A 51 4.336 -4.208 -2.920 1.00 0.00 N ATOM 751 CA LYS A 51 4.948 -5.255 -3.730 1.00 0.00 C ATOM 752 C LYS A 51 6.466 -5.107 -3.752 1.00 0.00 C ATOM 753 O LYS A 51 7.196 -6.045 -3.430 1.00 0.00 O ATOM 754 CB LYS A 51 4.399 -5.212 -5.157 1.00 0.00 C ATOM 755 CG LYS A 51 4.464 -6.549 -5.875 1.00 0.00 C ATOM 756 CD LYS A 51 5.886 -6.892 -6.288 1.00 0.00 C ATOM 757 CE LYS A 51 6.371 -5.992 -7.415 1.00 0.00 C ATOM 758 NZ LYS A 51 6.966 -4.729 -6.899 1.00 0.00 N ATOM 0 H LYS A 51 3.475 -3.823 -3.309 1.00 0.00 H new ATOM 0 HA LYS A 51 4.701 -6.218 -3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.363 -4.875 -5.129 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.959 -4.474 -5.731 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.074 -7.332 -5.224 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.825 -6.521 -6.757 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.550 -6.792 -5.429 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.932 -7.933 -6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.111 -6.525 -8.012 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.537 -5.757 -8.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.506 -4.265 -7.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.208 -4.095 -6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.601 -4.944 -6.104 1.00 0.00 H new ATOM 772 N PHE A 52 6.935 -3.924 -4.134 1.00 0.00 N ATOM 773 CA PHE A 52 8.366 -3.654 -4.198 1.00 0.00 C ATOM 774 C PHE A 52 9.082 -4.217 -2.974 1.00 0.00 C ATOM 775 O PHE A 52 10.197 -4.729 -3.074 1.00 0.00 O ATOM 776 CB PHE A 52 8.618 -2.148 -4.302 1.00 0.00 C ATOM 777 CG PHE A 52 10.052 -1.798 -4.581 1.00 0.00 C ATOM 778 CD1 PHE A 52 10.571 -1.913 -5.861 1.00 0.00 C ATOM 779 CD2 PHE A 52 10.881 -1.354 -3.564 1.00 0.00 C ATOM 780 CE1 PHE A 52 11.889 -1.591 -6.121 1.00 0.00 C ATOM 781 CE2 PHE A 52 12.200 -1.030 -3.818 1.00 0.00 C ATOM 782 CZ PHE A 52 12.705 -1.150 -5.098 1.00 0.00 C ATOM 0 H PHE A 52 6.345 -3.137 -4.404 1.00 0.00 H new ATOM 0 HA PHE A 52 8.763 -4.145 -5.087 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.991 -1.737 -5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.310 -1.671 -3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.938 -2.258 -6.665 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.492 -1.260 -2.561 1.00 0.00 H new ATOM 0 HE1 PHE A 52 12.281 -1.684 -7.123 1.00 0.00 H new ATOM 0 HE2 PHE A 52 12.835 -0.683 -3.017 1.00 0.00 H new ATOM 0 HZ PHE A 52 13.736 -0.899 -5.298 1.00 0.00 H new ATOM 792 N TYR A 53 8.432 -4.119 -1.820 1.00 0.00 N ATOM 793 CA TYR A 53 9.007 -4.616 -0.575 1.00 0.00 C ATOM 794 C TYR A 53 8.686 -6.094 -0.379 1.00 0.00 C ATOM 795 O TYR A 53 9.527 -6.870 0.076 1.00 0.00 O ATOM 796 CB TYR A 53 8.482 -3.807 0.612 1.00 0.00 C ATOM 797 CG TYR A 53 9.028 -2.398 0.673 1.00 0.00 C ATOM 798 CD1 TYR A 53 10.381 -2.165 0.887 1.00 0.00 C ATOM 799 CD2 TYR A 53 8.191 -1.300 0.519 1.00 0.00 C ATOM 800 CE1 TYR A 53 10.884 -0.880 0.945 1.00 0.00 C ATOM 801 CE2 TYR A 53 8.686 -0.011 0.573 1.00 0.00 C ATOM 802 CZ TYR A 53 10.033 0.194 0.787 1.00 0.00 C ATOM 803 OH TYR A 53 10.529 1.476 0.843 1.00 0.00 O ATOM 0 H TYR A 53 7.507 -3.700 -1.720 1.00 0.00 H new ATOM 0 HA TYR A 53 10.089 -4.502 -0.633 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.394 -3.764 0.559 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.736 -4.327 1.536 1.00 0.00 H new ATOM 0 HD1 TYR A 53 11.051 -3.003 1.010 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.135 -1.457 0.354 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.938 -0.717 1.113 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.022 0.831 0.448 1.00 0.00 H new ATOM 0 HH TYR A 53 9.789 2.109 0.953 1.00 0.00 H new ATOM 813 N PHE A 54 7.462 -6.478 -0.726 1.00 0.00 N ATOM 814 CA PHE A 54 7.027 -7.863 -0.588 1.00 0.00 C ATOM 815 C PHE A 54 6.085 -8.253 -1.724 1.00 0.00 C ATOM 816 O PHE A 54 4.917 -7.865 -1.756 1.00 0.00 O ATOM 817 CB PHE A 54 6.333 -8.071 0.759 1.00 0.00 C ATOM 818 CG PHE A 54 7.162 -7.636 1.934 1.00 0.00 C ATOM 819 CD1 PHE A 54 8.246 -8.390 2.351 1.00 0.00 C ATOM 820 CD2 PHE A 54 6.856 -6.472 2.621 1.00 0.00 C ATOM 821 CE1 PHE A 54 9.011 -7.992 3.432 1.00 0.00 C ATOM 822 CE2 PHE A 54 7.617 -6.068 3.702 1.00 0.00 C ATOM 823 CZ PHE A 54 8.695 -6.830 4.108 1.00 0.00 C ATOM 0 H PHE A 54 6.754 -5.849 -1.105 1.00 0.00 H new ATOM 0 HA PHE A 54 7.910 -8.501 -0.636 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.393 -7.519 0.763 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.084 -9.126 0.871 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.497 -9.300 1.826 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.013 -5.874 2.308 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.854 -8.589 3.747 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.369 -5.158 4.228 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.290 -6.517 4.953 1.00 0.00 H new ATOM 833 N PRO A 55 6.604 -9.039 -2.679 1.00 0.00 N ATOM 834 CA PRO A 55 5.827 -9.499 -3.834 1.00 0.00 C ATOM 835 C PRO A 55 4.756 -10.512 -3.446 1.00 0.00 C ATOM 836 O PRO A 55 3.711 -10.604 -4.091 1.00 0.00 O ATOM 837 CB PRO A 55 6.881 -10.153 -4.732 1.00 0.00 C ATOM 838 CG PRO A 55 7.967 -10.568 -3.801 1.00 0.00 C ATOM 839 CD PRO A 55 7.989 -9.540 -2.704 1.00 0.00 C ATOM 0 HA PRO A 55 5.286 -8.683 -4.312 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.469 -11.009 -5.267 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.249 -9.455 -5.484 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.777 -11.563 -3.399 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.927 -10.610 -4.316 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.275 -9.978 -1.748 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.701 -8.742 -2.915 1.00 0.00 H new ATOM 847 N LYS A 56 5.020 -11.270 -2.387 1.00 0.00 N ATOM 848 CA LYS A 56 4.078 -12.276 -1.911 1.00 0.00 C ATOM 849 C LYS A 56 2.861 -11.620 -1.266 1.00 0.00 C ATOM 850 O LYS A 56 1.722 -11.914 -1.627 1.00 0.00 O ATOM 851 CB LYS A 56 4.760 -13.208 -0.907 1.00 0.00 C ATOM 852 CG LYS A 56 5.803 -14.118 -1.533 1.00 0.00 C ATOM 853 CD LYS A 56 6.873 -14.513 -0.529 1.00 0.00 C ATOM 854 CE LYS A 56 6.369 -15.578 0.433 1.00 0.00 C ATOM 855 NZ LYS A 56 6.509 -16.948 -0.134 1.00 0.00 N ATOM 0 H LYS A 56 5.880 -11.206 -1.842 1.00 0.00 H new ATOM 0 HA LYS A 56 3.743 -12.859 -2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.233 -12.608 -0.130 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.002 -13.820 -0.419 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.319 -15.014 -1.922 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.267 -13.613 -2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.750 -14.885 -1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.189 -13.634 0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.924 -15.514 1.369 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.322 -15.388 0.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.155 -17.645 0.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.959 -17.017 -1.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.511 -17.139 -0.336 1.00 0.00 H new ATOM 869 N MET A 57 3.111 -10.728 -0.313 1.00 0.00 N ATOM 870 CA MET A 57 2.035 -10.028 0.379 1.00 0.00 C ATOM 871 C MET A 57 0.942 -9.609 -0.598 1.00 0.00 C ATOM 872 O MET A 57 -0.236 -9.898 -0.388 1.00 0.00 O ATOM 873 CB MET A 57 2.583 -8.800 1.108 1.00 0.00 C ATOM 874 CG MET A 57 3.602 -9.135 2.184 1.00 0.00 C ATOM 875 SD MET A 57 2.835 -9.549 3.763 1.00 0.00 S ATOM 876 CE MET A 57 2.554 -7.915 4.441 1.00 0.00 C ATOM 0 H MET A 57 4.049 -10.473 -0.003 1.00 0.00 H new ATOM 0 HA MET A 57 1.601 -10.711 1.109 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.042 -8.131 0.380 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.754 -8.257 1.561 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.214 -9.973 1.851 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.272 -8.286 2.321 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.083 -8.003 5.420 1.00 0.00 H new ATOM 0 HE2 MET A 57 3.506 -7.394 4.542 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.902 -7.352 3.774 1.00 0.00 H new ATOM 886 N VAL A 58 1.340 -8.927 -1.667 1.00 0.00 N ATOM 887 CA VAL A 58 0.394 -8.470 -2.678 1.00 0.00 C ATOM 888 C VAL A 58 -0.195 -9.644 -3.452 1.00 0.00 C ATOM 889 O VAL A 58 0.535 -10.499 -3.951 1.00 0.00 O ATOM 890 CB VAL A 58 1.059 -7.497 -3.670 1.00 0.00 C ATOM 891 CG1 VAL A 58 0.029 -6.933 -4.637 1.00 0.00 C ATOM 892 CG2 VAL A 58 1.770 -6.379 -2.923 1.00 0.00 C ATOM 0 H VAL A 58 2.311 -8.679 -1.855 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.405 -7.950 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 58 1.802 -8.046 -4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.517 -6.248 -5.330 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.430 -7.748 -5.196 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.739 -6.398 -4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.234 -5.701 -3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.049 -5.830 -2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.537 -6.804 -2.276 1.00 0.00 H new ATOM 902 N GLU A 59 -1.521 -9.678 -3.547 1.00 0.00 N ATOM 903 CA GLU A 59 -2.208 -10.748 -4.260 1.00 0.00 C ATOM 904 C GLU A 59 -3.258 -10.181 -5.211 1.00 0.00 C ATOM 905 O GLU A 59 -4.431 -10.063 -4.857 1.00 0.00 O ATOM 906 CB GLU A 59 -2.866 -11.710 -3.269 1.00 0.00 C ATOM 907 CG GLU A 59 -1.880 -12.393 -2.337 1.00 0.00 C ATOM 908 CD GLU A 59 -2.384 -13.732 -1.834 1.00 0.00 C ATOM 909 OE1 GLU A 59 -2.992 -14.475 -2.631 1.00 0.00 O ATOM 910 OE2 GLU A 59 -2.168 -14.036 -0.642 1.00 0.00 O ATOM 0 H GLU A 59 -2.140 -8.977 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.469 -11.293 -4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.596 -11.162 -2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.415 -12.471 -3.824 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.934 -12.538 -2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.679 -11.742 -1.486 1.00 0.00 H new ATOM 917 N MET A 60 -2.828 -9.832 -6.419 1.00 0.00 N ATOM 918 CA MET A 60 -3.731 -9.279 -7.421 1.00 0.00 C ATOM 919 C MET A 60 -4.768 -10.313 -7.849 1.00 0.00 C ATOM 920 O MET A 60 -5.938 -9.986 -8.052 1.00 0.00 O ATOM 921 CB MET A 60 -2.941 -8.797 -8.639 1.00 0.00 C ATOM 922 CG MET A 60 -1.882 -7.759 -8.305 1.00 0.00 C ATOM 923 SD MET A 60 -2.554 -6.089 -8.203 1.00 0.00 S ATOM 924 CE MET A 60 -3.255 -6.106 -6.555 1.00 0.00 C ATOM 0 H MET A 60 -1.860 -9.922 -6.728 1.00 0.00 H new ATOM 0 HA MET A 60 -4.252 -8.431 -6.976 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.462 -9.654 -9.113 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.634 -8.376 -9.368 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.413 -8.016 -7.355 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.100 -7.786 -9.064 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.343 -6.075 -6.622 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.949 -7.016 -6.039 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.901 -5.237 -6.000 1.00 0.00 H new ATOM 934 N HIS A 61 -4.331 -11.561 -7.984 1.00 0.00 N ATOM 935 CA HIS A 61 -5.222 -12.643 -8.388 1.00 0.00 C ATOM 936 C HIS A 61 -6.600 -12.478 -7.753 1.00 0.00 C ATOM 937 O HIS A 61 -7.605 -12.924 -8.304 1.00 0.00 O ATOM 938 CB HIS A 61 -4.627 -13.996 -7.996 1.00 0.00 C ATOM 939 CG HIS A 61 -3.338 -14.307 -8.693 1.00 0.00 C ATOM 940 ND1 HIS A 61 -2.145 -14.485 -8.025 1.00 0.00 N ATOM 941 CD2 HIS A 61 -3.060 -14.473 -10.007 1.00 0.00 C ATOM 942 CE1 HIS A 61 -1.189 -14.746 -8.898 1.00 0.00 C ATOM 943 NE2 HIS A 61 -1.718 -14.745 -10.108 1.00 0.00 N ATOM 0 H HIS A 61 -3.366 -11.848 -7.820 1.00 0.00 H new ATOM 0 HA HIS A 61 -5.333 -12.603 -9.472 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -4.461 -14.013 -6.919 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -5.350 -14.780 -8.220 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -3.763 -14.404 -10.824 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.151 -14.929 -8.662 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -1.212 -14.918 -10.976 1.00 0.00 H new ATOM 952 N ASN A 62 -6.637 -11.834 -6.591 1.00 0.00 N ATOM 953 CA ASN A 62 -7.891 -11.611 -5.881 1.00 0.00 C ATOM 954 C ASN A 62 -8.361 -10.168 -6.045 1.00 0.00 C ATOM 955 O ASN A 62 -9.408 -9.909 -6.639 1.00 0.00 O ATOM 956 CB ASN A 62 -7.726 -11.939 -4.395 1.00 0.00 C ATOM 957 CG ASN A 62 -7.076 -13.290 -4.171 1.00 0.00 C ATOM 958 OD1 ASN A 62 -7.711 -14.332 -4.335 1.00 0.00 O ATOM 959 ND2 ASN A 62 -5.802 -13.279 -3.794 1.00 0.00 N ATOM 0 H ASN A 62 -5.813 -11.458 -6.121 1.00 0.00 H new ATOM 0 HA ASN A 62 -8.644 -12.271 -6.311 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.123 -11.165 -3.920 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.703 -11.924 -3.912 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.312 -14.158 -3.629 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.314 -12.392 -3.670 1.00 0.00 H new ATOM 966 N TYR A 63 -7.579 -9.234 -5.516 1.00 0.00 N ATOM 967 CA TYR A 63 -7.915 -7.818 -5.602 1.00 0.00 C ATOM 968 C TYR A 63 -8.237 -7.421 -7.039 1.00 0.00 C ATOM 969 O TYR A 63 -7.605 -7.894 -7.983 1.00 0.00 O ATOM 970 CB TYR A 63 -6.761 -6.965 -5.072 1.00 0.00 C ATOM 971 CG TYR A 63 -6.448 -7.209 -3.613 1.00 0.00 C ATOM 972 CD1 TYR A 63 -7.434 -7.092 -2.641 1.00 0.00 C ATOM 973 CD2 TYR A 63 -5.166 -7.558 -3.206 1.00 0.00 C ATOM 974 CE1 TYR A 63 -7.152 -7.313 -1.307 1.00 0.00 C ATOM 975 CE2 TYR A 63 -4.875 -7.782 -1.874 1.00 0.00 C ATOM 976 CZ TYR A 63 -5.872 -7.658 -0.929 1.00 0.00 C ATOM 977 OH TYR A 63 -5.587 -7.881 0.399 1.00 0.00 O ATOM 0 H TYR A 63 -6.708 -9.432 -5.023 1.00 0.00 H new ATOM 0 HA TYR A 63 -8.799 -7.643 -4.989 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -5.869 -7.167 -5.665 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.005 -5.912 -5.211 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.438 -6.824 -2.934 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.383 -7.656 -3.944 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -7.930 -7.216 -0.564 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.873 -8.052 -1.575 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.640 -8.116 0.495 1.00 0.00 H new ATOM 987 N VAL A 64 -9.226 -6.546 -7.197 1.00 0.00 N ATOM 988 CA VAL A 64 -9.633 -6.083 -8.518 1.00 0.00 C ATOM 989 C VAL A 64 -10.044 -4.615 -8.483 1.00 0.00 C ATOM 990 O VAL A 64 -10.801 -4.177 -7.617 1.00 0.00 O ATOM 991 CB VAL A 64 -10.802 -6.919 -9.071 1.00 0.00 C ATOM 992 CG1 VAL A 64 -11.496 -6.181 -10.206 1.00 0.00 C ATOM 993 CG2 VAL A 64 -10.310 -8.282 -9.533 1.00 0.00 C ATOM 0 H VAL A 64 -9.760 -6.144 -6.426 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.770 -6.201 -9.174 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.527 -7.072 -8.272 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.319 -6.787 -10.584 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.884 -5.231 -9.839 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.783 -5.996 -11.009 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.149 -8.859 -9.921 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.565 -8.153 -10.318 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.863 -8.812 -8.692 1.00 0.00 H new ATOM 1003 N PRO A 65 -9.534 -3.834 -9.447 1.00 0.00 N ATOM 1004 CA PRO A 65 -9.835 -2.403 -9.549 1.00 0.00 C ATOM 1005 C PRO A 65 -11.279 -2.143 -9.966 1.00 0.00 C ATOM 1006 O PRO A 65 -11.726 -2.610 -11.013 1.00 0.00 O ATOM 1007 CB PRO A 65 -8.869 -1.914 -10.631 1.00 0.00 C ATOM 1008 CG PRO A 65 -8.584 -3.120 -11.458 1.00 0.00 C ATOM 1009 CD PRO A 65 -8.624 -4.289 -10.513 1.00 0.00 C ATOM 0 HA PRO A 65 -9.719 -1.892 -8.593 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.315 -1.120 -11.230 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.956 -1.509 -10.193 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.324 -3.233 -12.251 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -7.610 -3.041 -11.940 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.996 -5.189 -11.002 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.634 -4.525 -10.123 1.00 0.00 H new ATOM 1017 N ALA A 66 -12.002 -1.395 -9.140 1.00 0.00 N ATOM 1018 CA ALA A 66 -13.395 -1.070 -9.425 1.00 0.00 C ATOM 1019 C ALA A 66 -13.568 0.421 -9.688 1.00 0.00 C ATOM 1020 O ALA A 66 -12.639 1.206 -9.502 1.00 0.00 O ATOM 1021 CB ALA A 66 -14.285 -1.512 -8.273 1.00 0.00 C ATOM 0 H ALA A 66 -11.647 -1.002 -8.268 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.691 -1.607 -10.326 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.322 -1.264 -8.498 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.192 -2.589 -8.134 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.980 -1.000 -7.360 1.00 0.00 H new ATOM 1027 N ASN A 67 -14.763 0.806 -10.124 1.00 0.00 N ATOM 1028 CA ASN A 67 -15.058 2.204 -10.414 1.00 0.00 C ATOM 1029 C ASN A 67 -16.261 2.686 -9.609 1.00 0.00 C ATOM 1030 O ASN A 67 -16.831 3.739 -9.895 1.00 0.00 O ATOM 1031 CB ASN A 67 -15.322 2.391 -11.910 1.00 0.00 C ATOM 1032 CG ASN A 67 -16.036 1.202 -12.524 1.00 0.00 C ATOM 1033 OD1 ASN A 67 -17.207 0.951 -12.237 1.00 0.00 O ATOM 1034 ND2 ASN A 67 -15.332 0.464 -13.373 1.00 0.00 N ATOM 0 H ASN A 67 -15.543 0.169 -10.284 1.00 0.00 H new ATOM 0 HA ASN A 67 -14.191 2.799 -10.127 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -15.921 3.289 -12.061 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -14.375 2.549 -12.426 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -15.759 -0.349 -13.817 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.364 0.710 -13.581 1.00 0.00 H new ATOM 1041 N SER A 68 -16.641 1.907 -8.601 1.00 0.00 N ATOM 1042 CA SER A 68 -17.779 2.252 -7.757 1.00 0.00 C ATOM 1043 C SER A 68 -17.362 2.335 -6.291 1.00 0.00 C ATOM 1044 O SER A 68 -16.953 1.339 -5.693 1.00 0.00 O ATOM 1045 CB SER A 68 -18.896 1.220 -7.923 1.00 0.00 C ATOM 1046 OG SER A 68 -19.341 1.163 -9.267 1.00 0.00 O ATOM 0 H SER A 68 -16.178 1.034 -8.349 1.00 0.00 H new ATOM 0 HA SER A 68 -18.148 3.229 -8.069 1.00 0.00 H new ATOM 0 HB2 SER A 68 -18.538 0.238 -7.613 1.00 0.00 H new ATOM 0 HB3 SER A 68 -19.731 1.475 -7.270 1.00 0.00 H new ATOM 0 HG SER A 68 -20.054 0.495 -9.348 1.00 0.00 H new ATOM 1052 N LEU A 69 -17.468 3.529 -5.719 1.00 0.00 N ATOM 1053 CA LEU A 69 -17.102 3.744 -4.324 1.00 0.00 C ATOM 1054 C LEU A 69 -17.460 2.529 -3.473 1.00 0.00 C ATOM 1055 O LEU A 69 -16.591 1.917 -2.853 1.00 0.00 O ATOM 1056 CB LEU A 69 -17.806 4.988 -3.777 1.00 0.00 C ATOM 1057 CG LEU A 69 -17.711 5.204 -2.267 1.00 0.00 C ATOM 1058 CD1 LEU A 69 -16.273 5.485 -1.857 1.00 0.00 C ATOM 1059 CD2 LEU A 69 -18.623 6.342 -1.832 1.00 0.00 C ATOM 0 H LEU A 69 -17.805 4.363 -6.200 1.00 0.00 H new ATOM 0 HA LEU A 69 -16.023 3.893 -4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.392 5.864 -4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -18.860 4.934 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 69 -18.038 4.292 -1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -16.225 5.636 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -15.644 4.639 -2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -15.918 6.382 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -18.542 6.481 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -18.327 7.260 -2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -19.654 6.101 -2.090 1.00 0.00 H new ATOM 1071 N GLN A 70 -18.744 2.186 -3.452 1.00 0.00 N ATOM 1072 CA GLN A 70 -19.216 1.043 -2.679 1.00 0.00 C ATOM 1073 C GLN A 70 -18.251 -0.132 -2.800 1.00 0.00 C ATOM 1074 O GLN A 70 -17.810 -0.690 -1.796 1.00 0.00 O ATOM 1075 CB GLN A 70 -20.610 0.623 -3.149 1.00 0.00 C ATOM 1076 CG GLN A 70 -20.644 0.129 -4.586 1.00 0.00 C ATOM 1077 CD GLN A 70 -22.054 -0.125 -5.082 1.00 0.00 C ATOM 1078 OE1 GLN A 70 -22.443 -1.267 -5.325 1.00 0.00 O ATOM 1079 NE2 GLN A 70 -22.830 0.943 -5.234 1.00 0.00 N ATOM 0 H GLN A 70 -19.475 2.683 -3.961 1.00 0.00 H new ATOM 0 HA GLN A 70 -19.268 1.341 -1.632 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -20.983 -0.164 -2.494 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -21.289 1.470 -3.049 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -20.163 0.865 -5.231 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -20.064 -0.791 -4.664 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -22.467 1.872 -5.021 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -23.789 0.834 -5.564 1.00 0.00 H new ATOM 1088 N GLN A 71 -17.927 -0.501 -4.035 1.00 0.00 N ATOM 1089 CA GLN A 71 -17.015 -1.610 -4.286 1.00 0.00 C ATOM 1090 C GLN A 71 -15.647 -1.340 -3.669 1.00 0.00 C ATOM 1091 O GLN A 71 -15.121 -2.160 -2.915 1.00 0.00 O ATOM 1092 CB GLN A 71 -16.871 -1.849 -5.790 1.00 0.00 C ATOM 1093 CG GLN A 71 -15.876 -2.945 -6.139 1.00 0.00 C ATOM 1094 CD GLN A 71 -16.112 -4.219 -5.352 1.00 0.00 C ATOM 1095 OE1 GLN A 71 -17.241 -4.525 -4.967 1.00 0.00 O ATOM 1096 NE2 GLN A 71 -15.044 -4.970 -5.109 1.00 0.00 N ATOM 0 H GLN A 71 -18.283 -0.048 -4.877 1.00 0.00 H new ATOM 0 HA GLN A 71 -17.433 -2.503 -3.822 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -17.845 -2.109 -6.203 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -16.559 -0.921 -6.269 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -15.941 -3.164 -7.205 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -14.864 -2.587 -5.948 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -14.127 -4.678 -5.447 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.140 -5.839 -4.584 1.00 0.00 H new ATOM 1105 N LYS A 72 -15.075 -0.186 -3.992 1.00 0.00 N ATOM 1106 CA LYS A 72 -13.767 0.194 -3.469 1.00 0.00 C ATOM 1107 C LYS A 72 -13.658 -0.138 -1.985 1.00 0.00 C ATOM 1108 O LYS A 72 -12.859 -0.985 -1.584 1.00 0.00 O ATOM 1109 CB LYS A 72 -13.522 1.689 -3.688 1.00 0.00 C ATOM 1110 CG LYS A 72 -13.910 2.172 -5.075 1.00 0.00 C ATOM 1111 CD LYS A 72 -13.343 1.269 -6.159 1.00 0.00 C ATOM 1112 CE LYS A 72 -11.854 1.507 -6.359 1.00 0.00 C ATOM 1113 NZ LYS A 72 -11.582 2.833 -6.978 1.00 0.00 N ATOM 0 H LYS A 72 -15.496 0.504 -4.614 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.009 -0.375 -4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.085 2.254 -2.945 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.467 1.904 -3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.996 2.205 -5.159 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.548 3.190 -5.222 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.513 0.226 -5.891 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.870 1.448 -7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.344 1.444 -5.398 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.442 0.720 -6.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.840 2.733 -7.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.451 3.194 -7.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.265 3.500 -6.245 1.00 0.00 H new ATOM 1127 N LEU A 73 -14.467 0.534 -1.172 1.00 0.00 N ATOM 1128 CA LEU A 73 -14.462 0.309 0.269 1.00 0.00 C ATOM 1129 C LEU A 73 -14.409 -1.182 0.588 1.00 0.00 C ATOM 1130 O LEU A 73 -13.655 -1.614 1.460 1.00 0.00 O ATOM 1131 CB LEU A 73 -15.705 0.934 0.907 1.00 0.00 C ATOM 1132 CG LEU A 73 -15.620 2.428 1.218 1.00 0.00 C ATOM 1133 CD1 LEU A 73 -17.004 2.997 1.489 1.00 0.00 C ATOM 1134 CD2 LEU A 73 -14.698 2.675 2.403 1.00 0.00 C ATOM 0 H LEU A 73 -15.134 1.239 -1.487 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.571 0.782 0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.552 0.769 0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -15.920 0.402 1.834 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.205 2.937 0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -16.923 4.062 1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.634 2.854 0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -17.448 2.483 2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.650 3.744 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -15.083 2.153 3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.699 2.305 2.170 1.00 0.00 H new ATOM 1146 N SER A 74 -15.212 -1.964 -0.127 1.00 0.00 N ATOM 1147 CA SER A 74 -15.257 -3.406 0.081 1.00 0.00 C ATOM 1148 C SER A 74 -13.854 -4.005 0.045 1.00 0.00 C ATOM 1149 O SER A 74 -13.423 -4.660 0.993 1.00 0.00 O ATOM 1150 CB SER A 74 -16.133 -4.069 -0.984 1.00 0.00 C ATOM 1151 OG SER A 74 -16.598 -5.334 -0.547 1.00 0.00 O ATOM 0 H SER A 74 -15.840 -1.623 -0.855 1.00 0.00 H new ATOM 0 HA SER A 74 -15.688 -3.592 1.065 1.00 0.00 H new ATOM 0 HB2 SER A 74 -16.982 -3.425 -1.213 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.564 -4.186 -1.906 1.00 0.00 H new ATOM 0 HG SER A 74 -17.157 -5.736 -1.245 1.00 0.00 H new ATOM 1157 N ASN A 75 -13.147 -3.773 -1.056 1.00 0.00 N ATOM 1158 CA ASN A 75 -11.792 -4.289 -1.217 1.00 0.00 C ATOM 1159 C ASN A 75 -10.908 -3.870 -0.047 1.00 0.00 C ATOM 1160 O ASN A 75 -10.322 -4.712 0.634 1.00 0.00 O ATOM 1161 CB ASN A 75 -11.187 -3.791 -2.531 1.00 0.00 C ATOM 1162 CG ASN A 75 -11.872 -4.388 -3.746 1.00 0.00 C ATOM 1163 OD1 ASN A 75 -12.650 -5.336 -3.630 1.00 0.00 O ATOM 1164 ND2 ASN A 75 -11.586 -3.835 -4.918 1.00 0.00 N ATOM 0 H ASN A 75 -13.489 -3.231 -1.850 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.845 -5.378 -1.238 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.261 -2.704 -2.573 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.126 -4.040 -2.557 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -12.017 -4.194 -5.770 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.935 -3.051 -4.967 1.00 0.00 H new ATOM 1171 N TRP A 76 -10.817 -2.565 0.182 1.00 0.00 N ATOM 1172 CA TRP A 76 -10.005 -2.034 1.270 1.00 0.00 C ATOM 1173 C TRP A 76 -10.191 -2.858 2.540 1.00 0.00 C ATOM 1174 O TRP A 76 -9.228 -3.152 3.247 1.00 0.00 O ATOM 1175 CB TRP A 76 -10.367 -0.573 1.539 1.00 0.00 C ATOM 1176 CG TRP A 76 -9.554 0.397 0.736 1.00 0.00 C ATOM 1177 CD1 TRP A 76 -9.887 0.945 -0.470 1.00 0.00 C ATOM 1178 CD2 TRP A 76 -8.271 0.932 1.081 1.00 0.00 C ATOM 1179 NE1 TRP A 76 -8.889 1.788 -0.895 1.00 0.00 N ATOM 1180 CE2 TRP A 76 -7.887 1.799 0.038 1.00 0.00 C ATOM 1181 CE3 TRP A 76 -7.411 0.765 2.169 1.00 0.00 C ATOM 1182 CZ2 TRP A 76 -6.681 2.493 0.055 1.00 0.00 C ATOM 1183 CZ3 TRP A 76 -6.214 1.455 2.184 1.00 0.00 C ATOM 1184 CH2 TRP A 76 -5.858 2.311 1.133 1.00 0.00 C ATOM 0 H TRP A 76 -11.296 -1.855 -0.372 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.959 -2.092 0.970 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -11.423 -0.421 1.318 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -10.229 -0.361 2.599 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -10.801 0.745 -1.010 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -8.894 2.320 -1.765 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -7.677 0.108 2.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -6.404 3.152 -0.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.541 1.333 3.020 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -4.916 2.837 1.175 1.00 0.00 H new ATOM 1195 N GLY A 77 -11.436 -3.229 2.823 1.00 0.00 N ATOM 1196 CA GLY A 77 -11.725 -4.016 4.008 1.00 0.00 C ATOM 1197 C GLY A 77 -10.855 -5.253 4.108 1.00 0.00 C ATOM 1198 O GLY A 77 -10.370 -5.594 5.188 1.00 0.00 O ATOM 0 H GLY A 77 -12.250 -2.999 2.253 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.578 -3.399 4.895 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.774 -4.313 3.996 1.00 0.00 H new ATOM 1202 N HIS A 78 -10.658 -5.929 2.981 1.00 0.00 N ATOM 1203 CA HIS A 78 -9.841 -7.137 2.946 1.00 0.00 C ATOM 1204 C HIS A 78 -8.370 -6.805 3.183 1.00 0.00 C ATOM 1205 O HIS A 78 -7.731 -7.371 4.071 1.00 0.00 O ATOM 1206 CB HIS A 78 -10.005 -7.851 1.604 1.00 0.00 C ATOM 1207 CG HIS A 78 -9.725 -9.321 1.670 1.00 0.00 C ATOM 1208 ND1 HIS A 78 -8.891 -9.969 0.783 1.00 0.00 N ATOM 1209 CD2 HIS A 78 -10.173 -10.270 2.525 1.00 0.00 C ATOM 1210 CE1 HIS A 78 -8.840 -11.253 1.089 1.00 0.00 C ATOM 1211 NE2 HIS A 78 -9.609 -11.462 2.142 1.00 0.00 N ATOM 0 H HIS A 78 -11.053 -5.661 2.080 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.179 -7.798 3.744 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -11.022 -7.699 1.243 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -9.336 -7.394 0.875 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -10.848 -10.118 3.354 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -8.267 -12.004 0.567 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -9.760 -12.362 2.597 1.00 0.00 H new ATOM 1220 N LEU A 79 -7.840 -5.887 2.384 1.00 0.00 N ATOM 1221 CA LEU A 79 -6.444 -5.480 2.506 1.00 0.00 C ATOM 1222 C LEU A 79 -6.124 -5.054 3.935 1.00 0.00 C ATOM 1223 O LEU A 79 -4.961 -4.996 4.330 1.00 0.00 O ATOM 1224 CB LEU A 79 -6.140 -4.334 1.540 1.00 0.00 C ATOM 1225 CG LEU A 79 -4.663 -3.981 1.360 1.00 0.00 C ATOM 1226 CD1 LEU A 79 -4.054 -4.795 0.229 1.00 0.00 C ATOM 1227 CD2 LEU A 79 -4.498 -2.492 1.097 1.00 0.00 C ATOM 0 H LEU A 79 -8.355 -5.410 1.644 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.818 -6.336 2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.553 -4.589 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.666 -3.444 1.887 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.136 -4.227 2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.003 -4.530 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.138 -5.857 0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.584 -4.582 -0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.440 -2.260 0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.039 -2.220 0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.896 -1.927 1.940 1.00 0.00 H new ATOM 1239 N ASN A 80 -7.165 -4.759 4.707 1.00 0.00 N ATOM 1240 CA ASN A 80 -6.995 -4.340 6.093 1.00 0.00 C ATOM 1241 C ASN A 80 -6.666 -5.533 6.985 1.00 0.00 C ATOM 1242 O ASN A 80 -5.785 -5.456 7.842 1.00 0.00 O ATOM 1243 CB ASN A 80 -8.262 -3.646 6.597 1.00 0.00 C ATOM 1244 CG ASN A 80 -8.132 -3.177 8.033 1.00 0.00 C ATOM 1245 OD1 ASN A 80 -7.631 -3.902 8.892 1.00 0.00 O ATOM 1246 ND2 ASN A 80 -8.583 -1.957 8.300 1.00 0.00 N ATOM 0 H ASN A 80 -8.135 -4.803 4.396 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.163 -3.637 6.135 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.484 -2.792 5.957 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.105 -4.332 6.517 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.521 -1.587 9.248 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.991 -1.390 7.557 1.00 0.00 H new ATOM 1253 N ARG A 81 -7.379 -6.635 6.778 1.00 0.00 N ATOM 1254 CA ARG A 81 -7.163 -7.844 7.563 1.00 0.00 C ATOM 1255 C ARG A 81 -6.186 -8.782 6.860 1.00 0.00 C ATOM 1256 O ARG A 81 -5.910 -9.882 7.340 1.00 0.00 O ATOM 1257 CB ARG A 81 -8.491 -8.563 7.807 1.00 0.00 C ATOM 1258 CG ARG A 81 -9.474 -7.760 8.643 1.00 0.00 C ATOM 1259 CD ARG A 81 -10.826 -8.450 8.730 1.00 0.00 C ATOM 1260 NE ARG A 81 -10.830 -9.522 9.722 1.00 0.00 N ATOM 1261 CZ ARG A 81 -11.892 -10.274 9.987 1.00 0.00 C ATOM 1262 NH1 ARG A 81 -13.030 -10.073 9.336 1.00 0.00 N ATOM 1263 NH2 ARG A 81 -11.818 -11.230 10.904 1.00 0.00 N ATOM 0 H ARG A 81 -8.112 -6.715 6.073 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.734 -7.553 8.522 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -8.950 -8.796 6.846 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.294 -9.512 8.305 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.071 -7.620 9.646 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.598 -6.768 8.208 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -11.591 -7.717 8.985 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -11.088 -8.858 7.754 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.970 -9.703 10.240 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -13.091 -9.339 8.630 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.844 -10.652 9.541 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -10.945 -11.388 11.407 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.635 -11.807 11.106 1.00 0.00 H new ATOM 1277 N LYS A 82 -5.666 -8.340 5.720 1.00 0.00 N ATOM 1278 CA LYS A 82 -4.720 -9.138 4.950 1.00 0.00 C ATOM 1279 C LYS A 82 -3.329 -8.512 4.980 1.00 0.00 C ATOM 1280 O LYS A 82 -2.320 -9.213 4.908 1.00 0.00 O ATOM 1281 CB LYS A 82 -5.197 -9.277 3.502 1.00 0.00 C ATOM 1282 CG LYS A 82 -6.214 -10.387 3.301 1.00 0.00 C ATOM 1283 CD LYS A 82 -5.537 -11.729 3.078 1.00 0.00 C ATOM 1284 CE LYS A 82 -6.451 -12.884 3.459 1.00 0.00 C ATOM 1285 NZ LYS A 82 -5.681 -14.110 3.806 1.00 0.00 N ATOM 0 H LYS A 82 -5.884 -7.432 5.309 1.00 0.00 H new ATOM 0 HA LYS A 82 -4.664 -10.127 5.404 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.635 -8.332 3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.336 -9.464 2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.865 -10.447 4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.847 -10.151 2.446 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.248 -11.822 2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.621 -11.778 3.667 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.071 -12.592 4.307 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.126 -13.101 2.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -6.340 -14.874 4.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.109 -14.404 2.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.055 -13.910 4.613 1.00 0.00 H new ATOM 1299 N VAL A 83 -3.284 -7.188 5.087 1.00 0.00 N ATOM 1300 CA VAL A 83 -2.017 -6.467 5.129 1.00 0.00 C ATOM 1301 C VAL A 83 -1.853 -5.721 6.448 1.00 0.00 C ATOM 1302 O VAL A 83 -1.080 -6.133 7.315 1.00 0.00 O ATOM 1303 CB VAL A 83 -1.903 -5.464 3.967 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -0.662 -4.598 4.128 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -1.884 -6.194 2.632 1.00 0.00 C ATOM 0 H VAL A 83 -4.110 -6.593 5.146 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.226 -7.211 5.035 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.777 -4.812 3.986 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.598 -3.895 3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.723 -4.046 5.066 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.225 -5.231 4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.803 -5.469 1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.030 -6.871 2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.805 -6.765 2.517 1.00 0.00 H new ATOM 1315 N LEU A 84 -2.584 -4.622 6.595 1.00 0.00 N ATOM 1316 CA LEU A 84 -2.520 -3.817 7.810 1.00 0.00 C ATOM 1317 C LEU A 84 -2.403 -4.704 9.045 1.00 0.00 C ATOM 1318 O LEU A 84 -1.501 -4.529 9.865 1.00 0.00 O ATOM 1319 CB LEU A 84 -3.761 -2.928 7.922 1.00 0.00 C ATOM 1320 CG LEU A 84 -4.091 -2.079 6.694 1.00 0.00 C ATOM 1321 CD1 LEU A 84 -5.435 -1.389 6.868 1.00 0.00 C ATOM 1322 CD2 LEU A 84 -2.993 -1.056 6.442 1.00 0.00 C ATOM 0 H LEU A 84 -3.228 -4.268 5.888 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.633 -3.187 7.753 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.620 -3.563 8.141 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.631 -2.262 8.775 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.153 -2.737 5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.653 -0.789 5.984 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.215 -2.139 6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.402 -0.743 7.746 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.245 -0.461 5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.899 -0.402 7.309 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.048 -1.571 6.272 1.00 0.00 H new ATOM 1334 N LYS A 85 -3.319 -5.658 9.171 1.00 0.00 N ATOM 1335 CA LYS A 85 -3.318 -6.576 10.304 1.00 0.00 C ATOM 1336 C LYS A 85 -1.983 -7.306 10.411 1.00 0.00 C ATOM 1337 O LYS A 85 -1.425 -7.442 11.500 1.00 0.00 O ATOM 1338 CB LYS A 85 -4.456 -7.589 10.167 1.00 0.00 C ATOM 1339 CG LYS A 85 -5.742 -7.155 10.849 1.00 0.00 C ATOM 1340 CD LYS A 85 -6.654 -8.339 11.125 1.00 0.00 C ATOM 1341 CE LYS A 85 -6.336 -8.987 12.463 1.00 0.00 C ATOM 1342 NZ LYS A 85 -5.159 -9.895 12.374 1.00 0.00 N ATOM 0 H LYS A 85 -4.072 -5.816 8.502 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.467 -5.993 11.213 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.655 -7.758 9.109 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.135 -8.542 10.588 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.506 -6.650 11.786 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.262 -6.432 10.220 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.693 -8.009 11.117 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.547 -9.075 10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.142 -8.212 13.205 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.203 -9.549 12.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.251 -10.653 13.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.113 -10.312 11.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.289 -9.355 12.558 1.00 0.00 H new ATOM 1356 N ARG A 86 -1.476 -7.772 9.274 1.00 0.00 N ATOM 1357 CA ARG A 86 -0.206 -8.488 9.241 1.00 0.00 C ATOM 1358 C ARG A 86 0.946 -7.570 9.638 1.00 0.00 C ATOM 1359 O ARG A 86 2.016 -8.034 10.034 1.00 0.00 O ATOM 1360 CB ARG A 86 0.043 -9.063 7.845 1.00 0.00 C ATOM 1361 CG ARG A 86 -0.978 -10.108 7.426 1.00 0.00 C ATOM 1362 CD ARG A 86 -0.669 -11.465 8.038 1.00 0.00 C ATOM 1363 NE ARG A 86 -1.661 -12.471 7.667 1.00 0.00 N ATOM 1364 CZ ARG A 86 -1.631 -13.146 6.523 1.00 0.00 C ATOM 1365 NH1 ARG A 86 -0.665 -12.923 5.643 1.00 0.00 N ATOM 1366 NH2 ARG A 86 -2.570 -14.045 6.258 1.00 0.00 N ATOM 0 H ARG A 86 -1.925 -7.667 8.364 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.260 -9.306 9.959 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.036 -8.249 7.120 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.038 -9.507 7.816 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.974 -9.788 7.732 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.990 -10.192 6.339 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.319 -11.793 7.713 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.634 -11.374 9.124 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.418 -12.666 8.322 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.058 -12.232 5.843 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.644 -13.443 4.766 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.315 -14.218 6.933 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.547 -14.563 5.380 1.00 0.00 H new ATOM 1380 N LEU A 87 0.721 -6.265 9.529 1.00 0.00 N ATOM 1381 CA LEU A 87 1.740 -5.281 9.876 1.00 0.00 C ATOM 1382 C LEU A 87 1.412 -4.602 11.202 1.00 0.00 C ATOM 1383 O LEU A 87 1.804 -3.460 11.439 1.00 0.00 O ATOM 1384 CB LEU A 87 1.862 -4.232 8.769 1.00 0.00 C ATOM 1385 CG LEU A 87 2.461 -4.717 7.448 1.00 0.00 C ATOM 1386 CD1 LEU A 87 1.931 -3.890 6.287 1.00 0.00 C ATOM 1387 CD2 LEU A 87 3.980 -4.659 7.497 1.00 0.00 C ATOM 0 H LEU A 87 -0.158 -5.864 9.203 1.00 0.00 H new ATOM 0 HA LEU A 87 2.692 -5.802 9.981 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.870 -3.828 8.568 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.472 -3.409 9.141 1.00 0.00 H new ATOM 0 HG LEU A 87 2.163 -5.754 7.295 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.368 -4.249 5.355 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.846 -3.984 6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.199 -2.844 6.434 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.388 -5.008 6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.299 -3.632 7.674 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.343 -5.296 8.304 1.00 0.00 H new ATOM 1399 N ASN A 88 0.692 -5.313 12.063 1.00 0.00 N ATOM 1400 CA ASN A 88 0.313 -4.780 13.366 1.00 0.00 C ATOM 1401 C ASN A 88 -0.252 -3.369 13.233 1.00 0.00 C ATOM 1402 O ASN A 88 -0.039 -2.519 14.098 1.00 0.00 O ATOM 1403 CB ASN A 88 1.519 -4.772 14.308 1.00 0.00 C ATOM 1404 CG ASN A 88 1.117 -4.907 15.764 1.00 0.00 C ATOM 1405 OD1 ASN A 88 -0.054 -4.756 16.112 1.00 0.00 O ATOM 1406 ND2 ASN A 88 2.089 -5.191 16.622 1.00 0.00 N ATOM 0 H ASN A 88 0.359 -6.260 11.882 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.461 -5.424 13.783 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.190 -5.589 14.042 1.00 0.00 H new ATOM 0 HB3 ASN A 88 2.076 -3.845 14.172 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.879 -5.293 17.615 1.00 0.00 H new ATOM 0 HD22 ASN A 88 3.046 -5.308 16.288 1.00 0.00 H new ATOM 1413 N PHE A 89 -0.972 -3.126 12.143 1.00 0.00 N ATOM 1414 CA PHE A 89 -1.568 -1.818 11.895 1.00 0.00 C ATOM 1415 C PHE A 89 -3.091 -1.901 11.918 1.00 0.00 C ATOM 1416 O PHE A 89 -3.674 -2.922 11.553 1.00 0.00 O ATOM 1417 CB PHE A 89 -1.096 -1.266 10.548 1.00 0.00 C ATOM 1418 CG PHE A 89 -1.144 0.232 10.465 1.00 0.00 C ATOM 1419 CD1 PHE A 89 -0.085 1.000 10.923 1.00 0.00 C ATOM 1420 CD2 PHE A 89 -2.249 0.874 9.928 1.00 0.00 C ATOM 1421 CE1 PHE A 89 -0.126 2.379 10.848 1.00 0.00 C ATOM 1422 CE2 PHE A 89 -2.295 2.254 9.849 1.00 0.00 C ATOM 1423 CZ PHE A 89 -1.233 3.007 10.311 1.00 0.00 C ATOM 0 H PHE A 89 -1.157 -3.818 11.417 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.247 -1.144 12.689 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.074 -1.600 10.365 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.715 -1.686 9.755 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.783 0.514 11.344 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.083 0.290 9.567 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.706 2.965 11.209 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.161 2.743 9.426 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.268 4.085 10.252 1.00 0.00 H new ATOM 1433 N SER A 90 -3.730 -0.819 12.351 1.00 0.00 N ATOM 1434 CA SER A 90 -5.186 -0.769 12.426 1.00 0.00 C ATOM 1435 C SER A 90 -5.712 0.562 11.899 1.00 0.00 C ATOM 1436 O SER A 90 -5.121 1.615 12.138 1.00 0.00 O ATOM 1437 CB SER A 90 -5.650 -0.980 13.869 1.00 0.00 C ATOM 1438 OG SER A 90 -5.174 0.054 14.713 1.00 0.00 O ATOM 0 H SER A 90 -3.263 0.035 12.655 1.00 0.00 H new ATOM 0 HA SER A 90 -5.586 -1.569 11.803 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.739 -1.010 13.904 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.293 -1.944 14.232 1.00 0.00 H new ATOM 0 HG SER A 90 -5.485 -0.102 15.629 1.00 0.00 H new ATOM 1444 N VAL A 91 -6.829 0.507 11.180 1.00 0.00 N ATOM 1445 CA VAL A 91 -7.437 1.708 10.620 1.00 0.00 C ATOM 1446 C VAL A 91 -8.954 1.677 10.771 1.00 0.00 C ATOM 1447 O VAL A 91 -9.614 0.687 10.456 1.00 0.00 O ATOM 1448 CB VAL A 91 -7.084 1.872 9.129 1.00 0.00 C ATOM 1449 CG1 VAL A 91 -8.071 2.808 8.447 1.00 0.00 C ATOM 1450 CG2 VAL A 91 -5.659 2.380 8.972 1.00 0.00 C ATOM 0 H VAL A 91 -7.331 -0.356 10.972 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.036 2.555 11.176 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.153 0.897 8.647 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.806 2.912 7.395 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.078 2.398 8.529 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.037 3.786 8.928 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.427 2.490 7.913 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.560 3.346 9.467 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.967 1.669 9.423 1.00 0.00 H new ATOM 1460 N PRO A 92 -9.521 2.788 11.265 1.00 0.00 N ATOM 1461 CA PRO A 92 -10.967 2.914 11.469 1.00 0.00 C ATOM 1462 C PRO A 92 -11.734 2.990 10.153 1.00 0.00 C ATOM 1463 O PRO A 92 -11.199 3.434 9.137 1.00 0.00 O ATOM 1464 CB PRO A 92 -11.103 4.228 12.244 1.00 0.00 C ATOM 1465 CG PRO A 92 -9.892 5.012 11.874 1.00 0.00 C ATOM 1466 CD PRO A 92 -8.795 4.006 11.662 1.00 0.00 C ATOM 0 HA PRO A 92 -11.382 2.051 11.990 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.016 4.757 11.970 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -11.147 4.051 13.319 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -10.066 5.595 10.970 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.628 5.717 12.662 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.098 4.328 10.888 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.213 3.849 12.570 1.00 0.00 H new ATOM 1474 N ASP A 93 -12.989 2.555 10.179 1.00 0.00 N ATOM 1475 CA ASP A 93 -13.830 2.575 8.988 1.00 0.00 C ATOM 1476 C ASP A 93 -14.076 4.006 8.521 1.00 0.00 C ATOM 1477 O ASP A 93 -14.370 4.246 7.350 1.00 0.00 O ATOM 1478 CB ASP A 93 -15.163 1.879 9.267 1.00 0.00 C ATOM 1479 CG ASP A 93 -15.024 0.372 9.346 1.00 0.00 C ATOM 1480 OD1 ASP A 93 -15.058 -0.284 8.283 1.00 0.00 O ATOM 1481 OD2 ASP A 93 -14.880 -0.153 10.469 1.00 0.00 O ATOM 0 H ASP A 93 -13.446 2.184 11.012 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.308 2.038 8.196 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -15.575 2.252 10.204 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -15.874 2.135 8.482 1.00 0.00 H new ATOM 1486 N ASP A 94 -13.957 4.953 9.445 1.00 0.00 N ATOM 1487 CA ASP A 94 -14.167 6.361 9.129 1.00 0.00 C ATOM 1488 C ASP A 94 -13.059 6.885 8.221 1.00 0.00 C ATOM 1489 O ASP A 94 -13.296 7.734 7.361 1.00 0.00 O ATOM 1490 CB ASP A 94 -14.227 7.191 10.412 1.00 0.00 C ATOM 1491 CG ASP A 94 -14.959 6.475 11.530 1.00 0.00 C ATOM 1492 OD1 ASP A 94 -16.208 6.503 11.535 1.00 0.00 O ATOM 1493 OD2 ASP A 94 -14.283 5.887 12.400 1.00 0.00 O ATOM 0 H ASP A 94 -13.716 4.771 10.419 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.117 6.452 8.603 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.214 7.426 10.737 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -14.723 8.139 10.205 1.00 0.00 H new ATOM 1498 N VAL A 95 -11.848 6.374 8.419 1.00 0.00 N ATOM 1499 CA VAL A 95 -10.702 6.791 7.618 1.00 0.00 C ATOM 1500 C VAL A 95 -10.750 6.170 6.226 1.00 0.00 C ATOM 1501 O VAL A 95 -10.466 6.834 5.230 1.00 0.00 O ATOM 1502 CB VAL A 95 -9.374 6.404 8.295 1.00 0.00 C ATOM 1503 CG1 VAL A 95 -8.218 6.534 7.315 1.00 0.00 C ATOM 1504 CG2 VAL A 95 -9.137 7.261 9.529 1.00 0.00 C ATOM 0 H VAL A 95 -11.635 5.671 9.127 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.754 7.876 7.531 1.00 0.00 H new ATOM 0 HB VAL A 95 -9.436 5.362 8.610 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.288 6.257 7.811 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.386 5.874 6.464 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.150 7.565 6.967 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.194 6.975 9.995 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.094 8.311 9.240 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -9.952 7.112 10.237 1.00 0.00 H new ATOM 1514 N MET A 96 -11.112 4.893 6.166 1.00 0.00 N ATOM 1515 CA MET A 96 -11.199 4.183 4.895 1.00 0.00 C ATOM 1516 C MET A 96 -12.163 4.886 3.945 1.00 0.00 C ATOM 1517 O MET A 96 -11.869 5.055 2.761 1.00 0.00 O ATOM 1518 CB MET A 96 -11.650 2.739 5.123 1.00 0.00 C ATOM 1519 CG MET A 96 -10.619 1.886 5.844 1.00 0.00 C ATOM 1520 SD MET A 96 -10.736 0.140 5.410 1.00 0.00 S ATOM 1521 CE MET A 96 -11.398 -0.543 6.928 1.00 0.00 C ATOM 0 H MET A 96 -11.350 4.329 6.982 1.00 0.00 H new ATOM 0 HA MET A 96 -10.208 4.179 4.441 1.00 0.00 H new ATOM 0 HB2 MET A 96 -12.574 2.743 5.701 1.00 0.00 H new ATOM 0 HB3 MET A 96 -11.878 2.282 4.160 1.00 0.00 H new ATOM 0 HG2 MET A 96 -9.620 2.250 5.604 1.00 0.00 H new ATOM 0 HG3 MET A 96 -10.749 1.998 6.920 1.00 0.00 H new ATOM 0 HE1 MET A 96 -11.378 -1.632 6.876 1.00 0.00 H new ATOM 0 HE2 MET A 96 -10.794 -0.208 7.771 1.00 0.00 H new ATOM 0 HE3 MET A 96 -12.426 -0.205 7.061 1.00 0.00 H new ATOM 1531 N ARG A 97 -13.314 5.292 4.470 1.00 0.00 N ATOM 1532 CA ARG A 97 -14.321 5.975 3.667 1.00 0.00 C ATOM 1533 C ARG A 97 -13.722 7.185 2.957 1.00 0.00 C ATOM 1534 O ARG A 97 -13.934 7.386 1.761 1.00 0.00 O ATOM 1535 CB ARG A 97 -15.493 6.414 4.547 1.00 0.00 C ATOM 1536 CG ARG A 97 -16.429 5.278 4.927 1.00 0.00 C ATOM 1537 CD ARG A 97 -17.815 5.793 5.282 1.00 0.00 C ATOM 1538 NE ARG A 97 -17.804 6.603 6.497 1.00 0.00 N ATOM 1539 CZ ARG A 97 -18.895 6.894 7.196 1.00 0.00 C ATOM 1540 NH1 ARG A 97 -20.078 6.443 6.803 1.00 0.00 N ATOM 1541 NH2 ARG A 97 -18.804 7.637 8.292 1.00 0.00 N ATOM 0 H ARG A 97 -13.573 5.160 5.448 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.683 5.277 2.913 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -15.102 6.871 5.456 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -16.062 7.182 4.023 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -16.503 4.573 4.099 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -16.015 4.732 5.774 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -18.204 6.386 4.454 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -18.492 4.949 5.415 1.00 0.00 H new ATOM 0 HE ARG A 97 -16.909 6.965 6.827 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -20.152 5.871 5.962 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -20.914 6.668 7.342 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -17.895 7.985 8.598 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -19.643 7.860 8.828 1.00 0.00 H new ATOM 1555 N LYS A 98 -12.972 7.990 3.703 1.00 0.00 N ATOM 1556 CA LYS A 98 -12.341 9.181 3.147 1.00 0.00 C ATOM 1557 C LYS A 98 -11.410 8.816 1.995 1.00 0.00 C ATOM 1558 O LYS A 98 -11.443 9.442 0.935 1.00 0.00 O ATOM 1559 CB LYS A 98 -11.559 9.923 4.233 1.00 0.00 C ATOM 1560 CG LYS A 98 -12.445 10.612 5.256 1.00 0.00 C ATOM 1561 CD LYS A 98 -11.749 10.737 6.602 1.00 0.00 C ATOM 1562 CE LYS A 98 -12.721 11.150 7.696 1.00 0.00 C ATOM 1563 NZ LYS A 98 -13.161 12.565 7.542 1.00 0.00 N ATOM 0 H LYS A 98 -12.787 7.839 4.695 1.00 0.00 H new ATOM 0 HA LYS A 98 -13.126 9.833 2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -10.907 9.216 4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -10.916 10.666 3.762 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -12.719 11.603 4.893 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -13.371 10.049 5.375 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -11.288 9.785 6.864 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.946 11.471 6.531 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -13.592 10.495 7.675 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.248 11.021 8.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.823 12.808 8.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.333 13.193 7.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.635 12.683 6.624 1.00 0.00 H new ATOM 1577 N ILE A 99 -10.582 7.799 2.209 1.00 0.00 N ATOM 1578 CA ILE A 99 -9.645 7.349 1.188 1.00 0.00 C ATOM 1579 C ILE A 99 -10.361 7.059 -0.127 1.00 0.00 C ATOM 1580 O ILE A 99 -10.071 7.673 -1.153 1.00 0.00 O ATOM 1581 CB ILE A 99 -8.886 6.086 1.636 1.00 0.00 C ATOM 1582 CG1 ILE A 99 -8.087 6.370 2.910 1.00 0.00 C ATOM 1583 CG2 ILE A 99 -7.968 5.597 0.526 1.00 0.00 C ATOM 1584 CD1 ILE A 99 -7.767 5.128 3.711 1.00 0.00 C ATOM 0 H ILE A 99 -10.541 7.271 3.081 1.00 0.00 H new ATOM 0 HA ILE A 99 -8.930 8.158 1.039 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.611 5.302 1.852 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.156 6.869 2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.651 7.061 3.536 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.439 4.704 0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.560 5.360 -0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.246 6.376 0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.200 5.404 4.600 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -8.694 4.639 4.010 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.176 4.444 3.102 1.00 0.00 H new ATOM 1596 N ALA A 100 -11.300 6.119 -0.087 1.00 0.00 N ATOM 1597 CA ALA A 100 -12.062 5.749 -1.274 1.00 0.00 C ATOM 1598 C ALA A 100 -12.759 6.963 -1.878 1.00 0.00 C ATOM 1599 O ALA A 100 -13.151 6.947 -3.045 1.00 0.00 O ATOM 1600 CB ALA A 100 -13.078 4.669 -0.934 1.00 0.00 C ATOM 0 H ALA A 100 -11.551 5.600 0.754 1.00 0.00 H new ATOM 0 HA ALA A 100 -11.366 5.356 -2.015 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -13.639 4.403 -1.830 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -12.560 3.788 -0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -13.764 5.041 -0.173 1.00 0.00 H new ATOM 1606 N GLN A 101 -12.911 8.013 -1.077 1.00 0.00 N ATOM 1607 CA GLN A 101 -13.563 9.234 -1.535 1.00 0.00 C ATOM 1608 C GLN A 101 -12.547 10.203 -2.131 1.00 0.00 C ATOM 1609 O GLN A 101 -12.794 11.407 -2.207 1.00 0.00 O ATOM 1610 CB GLN A 101 -14.306 9.904 -0.378 1.00 0.00 C ATOM 1611 CG GLN A 101 -15.735 9.414 -0.208 1.00 0.00 C ATOM 1612 CD GLN A 101 -16.685 10.024 -1.220 1.00 0.00 C ATOM 1613 OE1 GLN A 101 -16.868 11.241 -1.263 1.00 0.00 O ATOM 1614 NE2 GLN A 101 -17.297 9.179 -2.042 1.00 0.00 N ATOM 0 H GLN A 101 -12.592 8.043 -0.109 1.00 0.00 H new ATOM 0 HA GLN A 101 -14.279 8.965 -2.311 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -13.757 9.726 0.547 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -14.317 10.982 -0.540 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -15.757 8.328 -0.303 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -16.080 9.653 0.798 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -17.116 8.178 -1.972 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -17.948 9.531 -2.744 1.00 0.00 H new ATOM 1623 N CYS A 102 -11.406 9.670 -2.552 1.00 0.00 N ATOM 1624 CA CYS A 102 -10.351 10.489 -3.141 1.00 0.00 C ATOM 1625 C CYS A 102 -10.159 11.778 -2.351 1.00 0.00 C ATOM 1626 O CYS A 102 -9.988 12.852 -2.928 1.00 0.00 O ATOM 1627 CB CYS A 102 -10.683 10.814 -4.598 1.00 0.00 C ATOM 1628 SG CYS A 102 -11.932 12.106 -4.800 1.00 0.00 S ATOM 0 H CYS A 102 -11.187 8.675 -2.497 1.00 0.00 H new ATOM 0 HA CYS A 102 -9.421 9.921 -3.106 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -9.770 11.123 -5.107 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -11.031 9.907 -5.091 1.00 0.00 H new ATOM 0 HG CYS A 102 -12.653 12.185 -3.721 1.00 0.00 H new ATOM 1634 N ALA A 103 -10.189 11.665 -1.027 1.00 0.00 N ATOM 1635 CA ALA A 103 -10.017 12.822 -0.157 1.00 0.00 C ATOM 1636 C ALA A 103 -8.550 13.020 0.211 1.00 0.00 C ATOM 1637 O ALA A 103 -7.941 12.198 0.896 1.00 0.00 O ATOM 1638 CB ALA A 103 -10.862 12.668 1.099 1.00 0.00 C ATOM 0 H ALA A 103 -10.331 10.784 -0.533 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.350 13.706 -0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.724 13.539 1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.913 12.584 0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.555 11.770 1.636 1.00 0.00 H new ATOM 1644 N PRO A 104 -7.968 14.135 -0.255 1.00 0.00 N ATOM 1645 CA PRO A 104 -6.565 14.466 0.013 1.00 0.00 C ATOM 1646 C PRO A 104 -6.325 14.832 1.474 1.00 0.00 C ATOM 1647 O PRO A 104 -7.118 15.548 2.083 1.00 0.00 O ATOM 1648 CB PRO A 104 -6.307 15.674 -0.891 1.00 0.00 C ATOM 1649 CG PRO A 104 -7.648 16.294 -1.086 1.00 0.00 C ATOM 1650 CD PRO A 104 -8.634 15.158 -1.077 1.00 0.00 C ATOM 0 HA PRO A 104 -5.902 13.622 -0.181 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -5.611 16.373 -0.428 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.869 15.371 -1.842 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.867 17.008 -0.292 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -7.692 16.841 -2.028 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.590 15.459 -0.648 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -8.837 14.794 -2.084 1.00 0.00 H new ATOM 1658 N GLY A 105 -5.224 14.336 2.030 1.00 0.00 N ATOM 1659 CA GLY A 105 -4.898 14.622 3.415 1.00 0.00 C ATOM 1660 C GLY A 105 -5.315 13.505 4.351 1.00 0.00 C ATOM 1661 O GLY A 105 -5.068 13.570 5.556 1.00 0.00 O ATOM 0 H GLY A 105 -4.552 13.741 1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.824 14.786 3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.389 15.547 3.717 1.00 0.00 H new ATOM 1665 N VAL A 106 -5.950 12.477 3.798 1.00 0.00 N ATOM 1666 CA VAL A 106 -6.402 11.341 4.592 1.00 0.00 C ATOM 1667 C VAL A 106 -5.526 10.117 4.350 1.00 0.00 C ATOM 1668 O VAL A 106 -4.818 9.659 5.247 1.00 0.00 O ATOM 1669 CB VAL A 106 -7.866 10.982 4.274 1.00 0.00 C ATOM 1670 CG1 VAL A 106 -8.384 9.939 5.253 1.00 0.00 C ATOM 1671 CG2 VAL A 106 -8.738 12.228 4.299 1.00 0.00 C ATOM 0 H VAL A 106 -6.163 12.407 2.803 1.00 0.00 H new ATOM 0 HA VAL A 106 -6.326 11.636 5.639 1.00 0.00 H new ATOM 0 HB VAL A 106 -7.908 10.557 3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.420 9.698 5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.775 9.038 5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -8.329 10.333 6.268 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -9.769 11.955 4.072 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.693 12.684 5.288 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.379 12.939 3.555 1.00 0.00 H new ATOM 1681 N VAL A 107 -5.577 9.592 3.130 1.00 0.00 N ATOM 1682 CA VAL A 107 -4.787 8.421 2.768 1.00 0.00 C ATOM 1683 C VAL A 107 -3.328 8.596 3.175 1.00 0.00 C ATOM 1684 O VAL A 107 -2.695 7.662 3.667 1.00 0.00 O ATOM 1685 CB VAL A 107 -4.856 8.143 1.254 1.00 0.00 C ATOM 1686 CG1 VAL A 107 -4.356 9.345 0.467 1.00 0.00 C ATOM 1687 CG2 VAL A 107 -4.057 6.897 0.905 1.00 0.00 C ATOM 0 H VAL A 107 -6.157 9.959 2.376 1.00 0.00 H new ATOM 0 HA VAL A 107 -5.213 7.573 3.305 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.897 7.968 0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.412 9.130 -0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.975 10.213 0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.322 9.555 0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.117 6.715 -0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.015 7.041 1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.466 6.041 1.441 1.00 0.00 H new ATOM 1697 N GLU A 108 -2.801 9.798 2.967 1.00 0.00 N ATOM 1698 CA GLU A 108 -1.416 10.095 3.312 1.00 0.00 C ATOM 1699 C GLU A 108 -1.124 9.718 4.762 1.00 0.00 C ATOM 1700 O GLU A 108 -0.141 9.036 5.053 1.00 0.00 O ATOM 1701 CB GLU A 108 -1.118 11.579 3.090 1.00 0.00 C ATOM 1702 CG GLU A 108 -0.809 11.928 1.643 1.00 0.00 C ATOM 1703 CD GLU A 108 -2.059 12.060 0.795 1.00 0.00 C ATOM 1704 OE1 GLU A 108 -3.063 12.603 1.301 1.00 0.00 O ATOM 1705 OE2 GLU A 108 -2.033 11.620 -0.373 1.00 0.00 O ATOM 0 H GLU A 108 -3.312 10.582 2.561 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.772 9.502 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.974 12.166 3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -0.272 11.868 3.713 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.252 12.864 1.610 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.165 11.158 1.217 1.00 0.00 H new ATOM 1712 N LEU A 109 -1.985 10.168 5.668 1.00 0.00 N ATOM 1713 CA LEU A 109 -1.821 9.879 7.089 1.00 0.00 C ATOM 1714 C LEU A 109 -1.540 8.397 7.315 1.00 0.00 C ATOM 1715 O LEU A 109 -1.003 8.007 8.352 1.00 0.00 O ATOM 1716 CB LEU A 109 -3.074 10.296 7.862 1.00 0.00 C ATOM 1717 CG LEU A 109 -3.482 11.764 7.738 1.00 0.00 C ATOM 1718 CD1 LEU A 109 -4.904 11.967 8.237 1.00 0.00 C ATOM 1719 CD2 LEU A 109 -2.513 12.654 8.503 1.00 0.00 C ATOM 0 H LEU A 109 -2.803 10.734 5.444 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.968 10.451 7.455 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.907 9.679 7.525 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.917 10.071 8.917 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.446 12.043 6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -5.177 13.018 8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.588 11.359 7.645 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.968 11.670 9.284 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.819 13.695 8.403 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.516 12.374 9.556 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.509 12.531 8.098 1.00 0.00 H new ATOM 1731 N VAL A 110 -1.904 7.575 6.335 1.00 0.00 N ATOM 1732 CA VAL A 110 -1.688 6.136 6.425 1.00 0.00 C ATOM 1733 C VAL A 110 -0.431 5.721 5.670 1.00 0.00 C ATOM 1734 O VAL A 110 0.216 4.732 6.016 1.00 0.00 O ATOM 1735 CB VAL A 110 -2.891 5.352 5.868 1.00 0.00 C ATOM 1736 CG1 VAL A 110 -2.899 3.930 6.409 1.00 0.00 C ATOM 1737 CG2 VAL A 110 -4.193 6.066 6.202 1.00 0.00 C ATOM 0 H VAL A 110 -2.350 7.881 5.470 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.568 5.899 7.482 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.799 5.302 4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.756 3.392 6.004 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.980 3.423 6.114 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.967 3.955 7.497 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.033 5.498 5.801 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.295 6.149 7.284 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.185 7.063 5.761 1.00 0.00 H new ATOM 1747 N LEU A 111 -0.090 6.483 4.637 1.00 0.00 N ATOM 1748 CA LEU A 111 1.092 6.195 3.831 1.00 0.00 C ATOM 1749 C LEU A 111 2.368 6.518 4.601 1.00 0.00 C ATOM 1750 O LEU A 111 3.360 5.795 4.509 1.00 0.00 O ATOM 1751 CB LEU A 111 1.052 6.995 2.528 1.00 0.00 C ATOM 1752 CG LEU A 111 -0.144 6.730 1.614 1.00 0.00 C ATOM 1753 CD1 LEU A 111 -0.241 7.801 0.538 1.00 0.00 C ATOM 1754 CD2 LEU A 111 -0.039 5.348 0.985 1.00 0.00 C ATOM 0 H LEU A 111 -0.615 7.305 4.337 1.00 0.00 H new ATOM 0 HA LEU A 111 1.091 5.131 3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.066 8.056 2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.964 6.786 1.969 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.052 6.765 2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.098 7.596 -0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.364 8.777 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.669 7.798 -0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.899 5.177 0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.876 5.285 0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.019 4.592 1.770 1.00 0.00 H new ATOM 1766 N ILE A 112 2.334 7.607 5.362 1.00 0.00 N ATOM 1767 CA ILE A 112 3.487 8.023 6.151 1.00 0.00 C ATOM 1768 C ILE A 112 4.007 6.877 7.012 1.00 0.00 C ATOM 1769 O ILE A 112 5.166 6.473 6.917 1.00 0.00 O ATOM 1770 CB ILE A 112 3.145 9.218 7.060 1.00 0.00 C ATOM 1771 CG1 ILE A 112 3.423 10.536 6.334 1.00 0.00 C ATOM 1772 CG2 ILE A 112 3.940 9.143 8.355 1.00 0.00 C ATOM 1773 CD1 ILE A 112 2.764 11.734 6.981 1.00 0.00 C ATOM 0 H ILE A 112 1.521 8.217 5.449 1.00 0.00 H new ATOM 0 HA ILE A 112 4.261 8.323 5.444 1.00 0.00 H new ATOM 0 HB ILE A 112 2.084 9.177 7.305 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.500 10.700 6.296 1.00 0.00 H new ATOM 0 HG13 ILE A 112 3.077 10.454 5.304 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.687 9.994 8.987 1.00 0.00 H new ATOM 0 HG22 ILE A 112 3.697 8.218 8.878 1.00 0.00 H new ATOM 0 HG23 ILE A 112 5.006 9.163 8.129 1.00 0.00 H new ATOM 0 HD11 ILE A 112 3.005 12.633 6.413 1.00 0.00 H new ATOM 0 HD12 ILE A 112 1.683 11.592 6.995 1.00 0.00 H new ATOM 0 HD13 ILE A 112 3.128 11.842 8.003 1.00 0.00 H new ATOM 1785 N PRO A 113 3.130 6.337 7.872 1.00 0.00 N ATOM 1786 CA PRO A 113 3.478 5.228 8.764 1.00 0.00 C ATOM 1787 C PRO A 113 3.691 3.920 8.009 1.00 0.00 C ATOM 1788 O PRO A 113 4.702 3.242 8.194 1.00 0.00 O ATOM 1789 CB PRO A 113 2.261 5.120 9.687 1.00 0.00 C ATOM 1790 CG PRO A 113 1.134 5.687 8.895 1.00 0.00 C ATOM 1791 CD PRO A 113 1.732 6.769 8.038 1.00 0.00 C ATOM 0 HA PRO A 113 4.415 5.408 9.290 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.067 4.085 9.967 1.00 0.00 H new ATOM 0 HB3 PRO A 113 2.415 5.676 10.612 1.00 0.00 H new ATOM 0 HG2 PRO A 113 0.663 4.919 8.281 1.00 0.00 H new ATOM 0 HG3 PRO A 113 0.361 6.090 9.550 1.00 0.00 H new ATOM 0 HD2 PRO A 113 1.220 6.852 7.079 1.00 0.00 H new ATOM 0 HD3 PRO A 113 1.667 7.745 8.519 1.00 0.00 H new ATOM 1799 N LEU A 114 2.732 3.572 7.157 1.00 0.00 N ATOM 1800 CA LEU A 114 2.815 2.345 6.372 1.00 0.00 C ATOM 1801 C LEU A 114 4.250 2.080 5.927 1.00 0.00 C ATOM 1802 O LEU A 114 4.845 1.065 6.290 1.00 0.00 O ATOM 1803 CB LEU A 114 1.898 2.435 5.151 1.00 0.00 C ATOM 1804 CG LEU A 114 1.904 1.224 4.217 1.00 0.00 C ATOM 1805 CD1 LEU A 114 0.871 0.201 4.664 1.00 0.00 C ATOM 1806 CD2 LEU A 114 1.643 1.657 2.782 1.00 0.00 C ATOM 0 H LEU A 114 1.889 4.122 6.992 1.00 0.00 H new ATOM 0 HA LEU A 114 2.491 1.516 7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 114 0.878 2.595 5.499 1.00 0.00 H new ATOM 0 HB3 LEU A 114 2.180 3.315 4.574 1.00 0.00 H new ATOM 0 HG LEU A 114 2.889 0.759 4.261 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.889 -0.654 3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.103 -0.132 5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.120 0.654 4.649 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.651 0.783 2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.671 2.146 2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.420 2.352 2.465 1.00 0.00 H new ATOM 1818 N ARG A 115 4.799 2.999 5.140 1.00 0.00 N ATOM 1819 CA ARG A 115 6.164 2.864 4.646 1.00 0.00 C ATOM 1820 C ARG A 115 7.140 2.639 5.798 1.00 0.00 C ATOM 1821 O ARG A 115 7.980 1.742 5.745 1.00 0.00 O ATOM 1822 CB ARG A 115 6.569 4.111 3.857 1.00 0.00 C ATOM 1823 CG ARG A 115 8.018 4.098 3.399 1.00 0.00 C ATOM 1824 CD ARG A 115 8.570 5.508 3.255 1.00 0.00 C ATOM 1825 NE ARG A 115 9.969 5.508 2.837 1.00 0.00 N ATOM 1826 CZ ARG A 115 10.744 6.586 2.868 1.00 0.00 C ATOM 1827 NH1 ARG A 115 10.260 7.744 3.294 1.00 0.00 N ATOM 1828 NH2 ARG A 115 12.008 6.507 2.471 1.00 0.00 N ATOM 0 H ARG A 115 4.320 3.845 4.831 1.00 0.00 H new ATOM 0 HA ARG A 115 6.201 1.997 3.987 1.00 0.00 H new ATOM 0 HB2 ARG A 115 5.922 4.205 2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 115 6.400 4.993 4.475 1.00 0.00 H new ATOM 0 HG2 ARG A 115 8.622 3.541 4.115 1.00 0.00 H new ATOM 0 HG3 ARG A 115 8.094 3.577 2.445 1.00 0.00 H new ATOM 0 HD2 ARG A 115 7.974 6.058 2.527 1.00 0.00 H new ATOM 0 HD3 ARG A 115 8.476 6.033 4.206 1.00 0.00 H new ATOM 0 HE ARG A 115 10.373 4.633 2.503 1.00 0.00 H new ATOM 0 HH11 ARG A 115 9.289 7.809 3.600 1.00 0.00 H new ATOM 0 HH12 ARG A 115 10.858 8.570 3.316 1.00 0.00 H new ATOM 0 HH21 ARG A 115 12.385 5.618 2.142 1.00 0.00 H new ATOM 0 HH22 ARG A 115 12.603 7.335 2.495 1.00 0.00 H new ATOM 1842 N GLN A 116 7.020 3.461 6.836 1.00 0.00 N ATOM 1843 CA GLN A 116 7.893 3.352 7.999 1.00 0.00 C ATOM 1844 C GLN A 116 7.892 1.929 8.549 1.00 0.00 C ATOM 1845 O GLN A 116 8.943 1.382 8.884 1.00 0.00 O ATOM 1846 CB GLN A 116 7.451 4.332 9.088 1.00 0.00 C ATOM 1847 CG GLN A 116 7.742 5.785 8.752 1.00 0.00 C ATOM 1848 CD GLN A 116 7.225 6.743 9.807 1.00 0.00 C ATOM 1849 OE1 GLN A 116 6.061 6.678 10.204 1.00 0.00 O ATOM 1850 NE2 GLN A 116 8.089 7.640 10.268 1.00 0.00 N ATOM 0 H GLN A 116 6.328 4.208 6.895 1.00 0.00 H new ATOM 0 HA GLN A 116 8.907 3.600 7.685 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.381 4.214 9.259 1.00 0.00 H new ATOM 0 HB3 GLN A 116 7.953 4.076 10.021 1.00 0.00 H new ATOM 0 HG2 GLN A 116 8.818 5.920 8.640 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.289 6.030 7.791 1.00 0.00 H new ATOM 0 HE21 GLN A 116 9.044 7.658 9.911 1.00 0.00 H new ATOM 0 HE22 GLN A 116 7.797 8.311 10.979 1.00 0.00 H new ATOM 1859 N ARG A 117 6.706 1.336 8.640 1.00 0.00 N ATOM 1860 CA ARG A 117 6.568 -0.023 9.150 1.00 0.00 C ATOM 1861 C ARG A 117 7.203 -1.030 8.196 1.00 0.00 C ATOM 1862 O ARG A 117 8.032 -1.847 8.599 1.00 0.00 O ATOM 1863 CB ARG A 117 5.092 -0.365 9.361 1.00 0.00 C ATOM 1864 CG ARG A 117 4.411 0.497 10.411 1.00 0.00 C ATOM 1865 CD ARG A 117 4.872 0.134 11.814 1.00 0.00 C ATOM 1866 NE ARG A 117 4.450 -1.210 12.198 1.00 0.00 N ATOM 1867 CZ ARG A 117 4.989 -1.891 13.203 1.00 0.00 C ATOM 1868 NH1 ARG A 117 5.966 -1.356 13.922 1.00 0.00 N ATOM 1869 NH2 ARG A 117 4.550 -3.110 13.491 1.00 0.00 N ATOM 0 H ARG A 117 5.827 1.775 8.367 1.00 0.00 H new ATOM 0 HA ARG A 117 7.087 -0.078 10.107 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.563 -0.255 8.414 1.00 0.00 H new ATOM 0 HB3 ARG A 117 5.009 -1.412 9.653 1.00 0.00 H new ATOM 0 HG2 ARG A 117 4.626 1.548 10.216 1.00 0.00 H new ATOM 0 HG3 ARG A 117 3.330 0.375 10.339 1.00 0.00 H new ATOM 0 HD2 ARG A 117 5.959 0.202 11.867 1.00 0.00 H new ATOM 0 HD3 ARG A 117 4.472 0.857 12.525 1.00 0.00 H new ATOM 0 HE ARG A 117 3.700 -1.650 11.665 1.00 0.00 H new ATOM 0 HH11 ARG A 117 6.306 -0.419 13.704 1.00 0.00 H new ATOM 0 HH12 ARG A 117 6.378 -1.881 14.693 1.00 0.00 H new ATOM 0 HH21 ARG A 117 3.798 -3.525 12.940 1.00 0.00 H new ATOM 0 HH22 ARG A 117 4.965 -3.632 14.263 1.00 0.00 H new ATOM 1883 N LEU A 118 6.809 -0.965 6.929 1.00 0.00 N ATOM 1884 CA LEU A 118 7.339 -1.871 5.916 1.00 0.00 C ATOM 1885 C LEU A 118 8.839 -2.076 6.099 1.00 0.00 C ATOM 1886 O LEU A 118 9.313 -3.207 6.204 1.00 0.00 O ATOM 1887 CB LEU A 118 7.054 -1.325 4.515 1.00 0.00 C ATOM 1888 CG LEU A 118 5.661 -1.610 3.954 1.00 0.00 C ATOM 1889 CD1 LEU A 118 5.404 -0.771 2.712 1.00 0.00 C ATOM 1890 CD2 LEU A 118 5.506 -3.091 3.640 1.00 0.00 C ATOM 0 H LEU A 118 6.125 -0.295 6.579 1.00 0.00 H new ATOM 0 HA LEU A 118 6.843 -2.835 6.031 1.00 0.00 H new ATOM 0 HB2 LEU A 118 7.204 -0.245 4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 118 7.792 -1.739 3.828 1.00 0.00 H new ATOM 0 HG LEU A 118 4.923 -1.339 4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.408 -0.987 2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 118 5.473 0.287 2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 118 6.147 -1.010 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.508 -3.276 3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.252 -3.387 2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 118 5.646 -3.673 4.551 1.00 0.00 H new ATOM 1902 N GLU A 119 9.581 -0.973 6.138 1.00 0.00 N ATOM 1903 CA GLU A 119 11.028 -1.032 6.311 1.00 0.00 C ATOM 1904 C GLU A 119 11.408 -2.070 7.364 1.00 0.00 C ATOM 1905 O GLU A 119 12.101 -3.043 7.068 1.00 0.00 O ATOM 1906 CB GLU A 119 11.573 0.340 6.711 1.00 0.00 C ATOM 1907 CG GLU A 119 11.328 1.420 5.670 1.00 0.00 C ATOM 1908 CD GLU A 119 12.366 2.523 5.719 1.00 0.00 C ATOM 1909 OE1 GLU A 119 12.179 3.479 6.501 1.00 0.00 O ATOM 1910 OE2 GLU A 119 13.365 2.432 4.975 1.00 0.00 O ATOM 0 H GLU A 119 9.204 -0.029 6.052 1.00 0.00 H new ATOM 0 HA GLU A 119 11.470 -1.326 5.359 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.114 0.644 7.652 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.645 0.257 6.891 1.00 0.00 H new ATOM 0 HG2 GLU A 119 11.329 0.970 4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.338 1.850 5.824 1.00 0.00 H new ATOM 1917 N GLU A 120 10.950 -1.853 8.593 1.00 0.00 N ATOM 1918 CA GLU A 120 11.244 -2.768 9.689 1.00 0.00 C ATOM 1919 C GLU A 120 11.033 -4.217 9.260 1.00 0.00 C ATOM 1920 O GLU A 120 11.778 -5.110 9.663 1.00 0.00 O ATOM 1921 CB GLU A 120 10.363 -2.449 10.899 1.00 0.00 C ATOM 1922 CG GLU A 120 10.701 -3.270 12.132 1.00 0.00 C ATOM 1923 CD GLU A 120 10.114 -2.685 13.401 1.00 0.00 C ATOM 1924 OE1 GLU A 120 8.930 -2.959 13.690 1.00 0.00 O ATOM 1925 OE2 GLU A 120 10.839 -1.952 14.107 1.00 0.00 O ATOM 0 H GLU A 120 10.375 -1.052 8.854 1.00 0.00 H new ATOM 0 HA GLU A 120 12.290 -2.638 9.966 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.461 -1.390 11.140 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.320 -2.621 10.633 1.00 0.00 H new ATOM 0 HG2 GLU A 120 10.331 -4.287 12.000 1.00 0.00 H new ATOM 0 HG3 GLU A 120 11.784 -3.336 12.234 1.00 0.00 H new ATOM 1932 N ARG A 121 10.011 -4.442 8.440 1.00 0.00 N ATOM 1933 CA ARG A 121 9.700 -5.782 7.957 1.00 0.00 C ATOM 1934 C ARG A 121 10.655 -6.193 6.840 1.00 0.00 C ATOM 1935 O ARG A 121 10.988 -7.369 6.697 1.00 0.00 O ATOM 1936 CB ARG A 121 8.256 -5.844 7.457 1.00 0.00 C ATOM 1937 CG ARG A 121 7.244 -6.137 8.553 1.00 0.00 C ATOM 1938 CD ARG A 121 7.181 -7.623 8.870 1.00 0.00 C ATOM 1939 NE ARG A 121 6.751 -7.872 10.243 1.00 0.00 N ATOM 1940 CZ ARG A 121 6.534 -9.086 10.737 1.00 0.00 C ATOM 1941 NH1 ARG A 121 6.707 -10.156 9.974 1.00 0.00 N ATOM 1942 NH2 ARG A 121 6.144 -9.231 11.997 1.00 0.00 N ATOM 0 H ARG A 121 9.385 -3.714 8.097 1.00 0.00 H new ATOM 0 HA ARG A 121 9.820 -6.477 8.788 1.00 0.00 H new ATOM 0 HB2 ARG A 121 8.003 -4.895 6.985 1.00 0.00 H new ATOM 0 HB3 ARG A 121 8.179 -6.613 6.688 1.00 0.00 H new ATOM 0 HG2 ARG A 121 7.510 -5.583 9.453 1.00 0.00 H new ATOM 0 HG3 ARG A 121 6.259 -5.788 8.243 1.00 0.00 H new ATOM 0 HD2 ARG A 121 6.493 -8.112 8.180 1.00 0.00 H new ATOM 0 HD3 ARG A 121 8.163 -8.070 8.711 1.00 0.00 H new ATOM 0 HE ARG A 121 6.609 -7.070 10.857 1.00 0.00 H new ATOM 0 HH11 ARG A 121 7.007 -10.048 9.005 1.00 0.00 H new ATOM 0 HH12 ARG A 121 6.540 -11.087 10.356 1.00 0.00 H new ATOM 0 HH21 ARG A 121 6.011 -8.410 12.587 1.00 0.00 H new ATOM 0 HH22 ARG A 121 5.978 -10.164 12.375 1.00 0.00 H new ATOM 1956 N GLN A 122 11.090 -5.215 6.051 1.00 0.00 N ATOM 1957 CA GLN A 122 12.005 -5.476 4.946 1.00 0.00 C ATOM 1958 C GLN A 122 13.313 -6.074 5.453 1.00 0.00 C ATOM 1959 O GLN A 122 13.573 -7.264 5.273 1.00 0.00 O ATOM 1960 CB GLN A 122 12.285 -4.186 4.174 1.00 0.00 C ATOM 1961 CG GLN A 122 13.355 -4.338 3.104 1.00 0.00 C ATOM 1962 CD GLN A 122 13.011 -5.402 2.081 1.00 0.00 C ATOM 1963 OE1 GLN A 122 12.050 -5.264 1.324 1.00 0.00 O ATOM 1964 NE2 GLN A 122 13.796 -6.473 2.053 1.00 0.00 N ATOM 0 H GLN A 122 10.824 -4.236 6.156 1.00 0.00 H new ATOM 0 HA GLN A 122 11.533 -6.196 4.277 1.00 0.00 H new ATOM 0 HB2 GLN A 122 11.361 -3.844 3.707 1.00 0.00 H new ATOM 0 HB3 GLN A 122 12.593 -3.411 4.876 1.00 0.00 H new ATOM 0 HG2 GLN A 122 13.494 -3.383 2.597 1.00 0.00 H new ATOM 0 HG3 GLN A 122 14.304 -4.588 3.578 1.00 0.00 H new ATOM 0 HE21 GLN A 122 14.582 -6.546 2.699 1.00 0.00 H new ATOM 0 HE22 GLN A 122 13.613 -7.222 1.386 1.00 0.00 H new