USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=15 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= -3.34! C(o=-3.3!,f=-4.3!) USER MOD Set 1.2: A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 41 SER OG : rot 165:sc= 0.963 USER MOD Set 2.2: A 102 CYS SG : rot 180:sc= 1.2 USER MOD Single : A 19 GLN : amide:sc= -0.0188 X(o=-0.019,f=-0.47) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.111) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.041 USER MOD Single : A 56 LYS NZ :NH3+ -162:sc= -0.0578 (180deg=-0.376) USER MOD Single : A 57 MET CE :methyl -167:sc= -0.175 (180deg=-0.342) USER MOD Single : A 60 MET CE :methyl -115:sc= -0.957 (180deg=-4.7!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 62 ASN : amide:sc= -6.4! C(o=-6.4!,f=-5.8!) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.421 USER MOD Single : A 67 ASN : amide:sc= -0.0853 X(o=-0.085,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.0184 K(o=-0.018,f=-2.5!) USER MOD Single : A 72 LYS NZ :NH3+ -104:sc= 0.96 (180deg=-2.41!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0.00741 K(o=0.0074,f=-2.1) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 82 LYS NZ :NH3+ 151:sc= -0.217 (180deg=-1.41!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.562 K(o=-0.56,f=-0.025) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0274) USER MOD Single : A 101 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.2!) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 122 GLN : amide:sc=-0.00818 K(o=-0.0082,f=-1) USER MOD ----------------------------------------------------------------- ATOM 220 N GLN A 19 7.530 14.798 1.705 1.00 0.00 N ATOM 221 CA GLN A 19 8.442 13.679 1.913 1.00 0.00 C ATOM 222 C GLN A 19 7.843 12.382 1.378 1.00 0.00 C ATOM 223 O GLN A 19 8.533 11.583 0.744 1.00 0.00 O ATOM 224 CB GLN A 19 8.767 13.528 3.400 1.00 0.00 C ATOM 225 CG GLN A 19 9.762 14.557 3.912 1.00 0.00 C ATOM 226 CD GLN A 19 11.182 14.270 3.463 1.00 0.00 C ATOM 227 OE1 GLN A 19 11.640 13.128 3.506 1.00 0.00 O ATOM 228 NE2 GLN A 19 11.886 15.309 3.028 1.00 0.00 N ATOM 0 HA GLN A 19 9.362 13.886 1.366 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.845 13.609 3.975 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.166 12.529 3.577 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.468 15.547 3.563 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.727 14.580 5.001 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.466 16.238 3.010 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.847 15.178 2.712 1.00 0.00 H new ATOM 237 N LEU A 20 6.556 12.180 1.636 1.00 0.00 N ATOM 238 CA LEU A 20 5.864 10.979 1.181 1.00 0.00 C ATOM 239 C LEU A 20 5.756 10.957 -0.341 1.00 0.00 C ATOM 240 O LEU A 20 5.745 9.891 -0.957 1.00 0.00 O ATOM 241 CB LEU A 20 4.468 10.904 1.803 1.00 0.00 C ATOM 242 CG LEU A 20 3.484 9.946 1.131 1.00 0.00 C ATOM 243 CD1 LEU A 20 3.665 8.534 1.665 1.00 0.00 C ATOM 244 CD2 LEU A 20 2.053 10.418 1.341 1.00 0.00 C ATOM 0 H LEU A 20 5.970 12.832 2.158 1.00 0.00 H new ATOM 0 HA LEU A 20 6.444 10.113 1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.573 10.611 2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.034 11.904 1.794 1.00 0.00 H new ATOM 0 HG LEU A 20 3.689 9.937 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.956 7.866 1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.681 8.196 1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.487 8.526 2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.366 9.724 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.836 10.457 2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.930 11.411 0.909 1.00 0.00 H new ATOM 256 N TYR A 21 5.679 12.140 -0.940 1.00 0.00 N ATOM 257 CA TYR A 21 5.572 12.257 -2.390 1.00 0.00 C ATOM 258 C TYR A 21 6.887 11.880 -3.065 1.00 0.00 C ATOM 259 O TYR A 21 6.915 11.530 -4.245 1.00 0.00 O ATOM 260 CB TYR A 21 5.176 13.682 -2.780 1.00 0.00 C ATOM 261 CG TYR A 21 3.681 13.899 -2.841 1.00 0.00 C ATOM 262 CD1 TYR A 21 2.909 13.886 -1.685 1.00 0.00 C ATOM 263 CD2 TYR A 21 3.040 14.116 -4.054 1.00 0.00 C ATOM 264 CE1 TYR A 21 1.543 14.083 -1.737 1.00 0.00 C ATOM 265 CE2 TYR A 21 1.674 14.316 -4.115 1.00 0.00 C ATOM 266 CZ TYR A 21 0.930 14.298 -2.953 1.00 0.00 C ATOM 267 OH TYR A 21 -0.431 14.496 -3.009 1.00 0.00 O ATOM 0 H TYR A 21 5.689 13.031 -0.444 1.00 0.00 H new ATOM 0 HA TYR A 21 4.799 11.567 -2.729 1.00 0.00 H new ATOM 0 HB2 TYR A 21 5.607 14.379 -2.062 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.609 13.917 -3.752 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.385 13.719 -0.730 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.619 14.129 -4.965 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.958 14.069 -0.829 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.192 14.485 -5.066 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.703 14.634 -3.940 1.00 0.00 H new ATOM 277 N LEU A 22 7.976 11.953 -2.307 1.00 0.00 N ATOM 278 CA LEU A 22 9.296 11.619 -2.830 1.00 0.00 C ATOM 279 C LEU A 22 9.509 10.109 -2.847 1.00 0.00 C ATOM 280 O LEU A 22 9.980 9.550 -3.837 1.00 0.00 O ATOM 281 CB LEU A 22 10.384 12.290 -1.989 1.00 0.00 C ATOM 282 CG LEU A 22 10.466 13.814 -2.089 1.00 0.00 C ATOM 283 CD1 LEU A 22 11.613 14.344 -1.243 1.00 0.00 C ATOM 284 CD2 LEU A 22 10.627 14.245 -3.540 1.00 0.00 C ATOM 0 H LEU A 22 7.971 12.240 -1.328 1.00 0.00 H new ATOM 0 HA LEU A 22 9.358 11.987 -3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.224 12.023 -0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.349 11.874 -2.281 1.00 0.00 H new ATOM 0 HG LEU A 22 9.536 14.235 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.655 15.430 -1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.455 14.066 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.552 13.916 -1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.684 15.332 -3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.541 13.814 -3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.772 13.898 -4.120 1.00 0.00 H new ATOM 296 N TRP A 23 9.159 9.456 -1.745 1.00 0.00 N ATOM 297 CA TRP A 23 9.310 8.009 -1.634 1.00 0.00 C ATOM 298 C TRP A 23 8.798 7.310 -2.889 1.00 0.00 C ATOM 299 O TRP A 23 9.551 6.625 -3.581 1.00 0.00 O ATOM 300 CB TRP A 23 8.561 7.490 -0.405 1.00 0.00 C ATOM 301 CG TRP A 23 8.220 6.033 -0.489 1.00 0.00 C ATOM 302 CD1 TRP A 23 9.043 5.021 -0.892 1.00 0.00 C ATOM 303 CD2 TRP A 23 6.965 5.427 -0.162 1.00 0.00 C ATOM 304 NE1 TRP A 23 8.375 3.821 -0.836 1.00 0.00 N ATOM 305 CE2 TRP A 23 7.099 4.043 -0.391 1.00 0.00 C ATOM 306 CE3 TRP A 23 5.742 5.917 0.303 1.00 0.00 C ATOM 307 CZ2 TRP A 23 6.055 3.148 -0.171 1.00 0.00 C ATOM 308 CZ3 TRP A 23 4.707 5.028 0.520 1.00 0.00 C ATOM 309 CH2 TRP A 23 4.869 3.656 0.284 1.00 0.00 C ATOM 0 H TRP A 23 8.769 9.905 -0.916 1.00 0.00 H new ATOM 0 HA TRP A 23 10.372 7.787 -1.525 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.170 7.663 0.482 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.643 8.064 -0.279 1.00 0.00 H new ATOM 0 HD1 TRP A 23 10.068 5.145 -1.208 1.00 0.00 H new ATOM 0 HE1 TRP A 23 8.766 2.913 -1.085 1.00 0.00 H new ATOM 0 HE3 TRP A 23 5.608 6.972 0.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 6.177 2.091 -0.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 3.757 5.397 0.878 1.00 0.00 H new ATOM 0 HH2 TRP A 23 4.041 2.986 0.465 1.00 0.00 H new ATOM 320 N VAL A 24 7.513 7.488 -3.178 1.00 0.00 N ATOM 321 CA VAL A 24 6.901 6.876 -4.351 1.00 0.00 C ATOM 322 C VAL A 24 7.769 7.071 -5.589 1.00 0.00 C ATOM 323 O VAL A 24 7.945 6.151 -6.387 1.00 0.00 O ATOM 324 CB VAL A 24 5.501 7.458 -4.622 1.00 0.00 C ATOM 325 CG1 VAL A 24 4.887 6.819 -5.859 1.00 0.00 C ATOM 326 CG2 VAL A 24 4.600 7.266 -3.410 1.00 0.00 C ATOM 0 H VAL A 24 6.875 8.051 -2.615 1.00 0.00 H new ATOM 0 HA VAL A 24 6.809 5.811 -4.140 1.00 0.00 H new ATOM 0 HB VAL A 24 5.601 8.528 -4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.898 7.243 -6.035 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.523 7.013 -6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.799 5.743 -5.707 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.615 7.683 -3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.505 6.202 -3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.034 7.775 -2.550 1.00 0.00 H new ATOM 336 N ASP A 25 8.308 8.275 -5.742 1.00 0.00 N ATOM 337 CA ASP A 25 9.160 8.592 -6.882 1.00 0.00 C ATOM 338 C ASP A 25 10.143 7.458 -7.158 1.00 0.00 C ATOM 339 O ASP A 25 10.320 7.042 -8.302 1.00 0.00 O ATOM 340 CB ASP A 25 9.922 9.894 -6.631 1.00 0.00 C ATOM 341 CG ASP A 25 10.466 10.503 -7.908 1.00 0.00 C ATOM 342 OD1 ASP A 25 9.735 11.285 -8.550 1.00 0.00 O ATOM 343 OD2 ASP A 25 11.623 10.196 -8.266 1.00 0.00 O ATOM 0 H ASP A 25 8.170 9.048 -5.091 1.00 0.00 H new ATOM 0 HA ASP A 25 8.522 8.717 -7.757 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.261 10.610 -6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.746 9.702 -5.944 1.00 0.00 H new ATOM 348 N ASN A 26 10.780 6.964 -6.101 1.00 0.00 N ATOM 349 CA ASN A 26 11.746 5.879 -6.230 1.00 0.00 C ATOM 350 C ASN A 26 11.137 4.693 -6.972 1.00 0.00 C ATOM 351 O ASN A 26 11.700 4.208 -7.954 1.00 0.00 O ATOM 352 CB ASN A 26 12.233 5.436 -4.849 1.00 0.00 C ATOM 353 CG ASN A 26 13.121 4.208 -4.916 1.00 0.00 C ATOM 354 OD1 ASN A 26 14.014 4.119 -5.759 1.00 0.00 O ATOM 355 ND2 ASN A 26 12.878 3.253 -4.025 1.00 0.00 N ATOM 0 H ASN A 26 10.645 7.297 -5.147 1.00 0.00 H new ATOM 0 HA ASN A 26 12.595 6.248 -6.806 1.00 0.00 H new ATOM 0 HB2 ASN A 26 12.782 6.253 -4.381 1.00 0.00 H new ATOM 0 HB3 ASN A 26 11.373 5.225 -4.214 1.00 0.00 H new ATOM 0 HD21 ASN A 26 13.442 2.403 -4.021 1.00 0.00 H new ATOM 0 HD22 ASN A 26 12.127 3.370 -3.344 1.00 0.00 H new ATOM 362 N ILE A 27 9.985 4.233 -6.496 1.00 0.00 N ATOM 363 CA ILE A 27 9.300 3.106 -7.116 1.00 0.00 C ATOM 364 C ILE A 27 8.634 3.519 -8.424 1.00 0.00 C ATOM 365 O ILE A 27 7.831 4.451 -8.473 1.00 0.00 O ATOM 366 CB ILE A 27 8.235 2.510 -6.176 1.00 0.00 C ATOM 367 CG1 ILE A 27 8.843 2.214 -4.803 1.00 0.00 C ATOM 368 CG2 ILE A 27 7.641 1.247 -6.782 1.00 0.00 C ATOM 369 CD1 ILE A 27 7.811 2.036 -3.711 1.00 0.00 C ATOM 0 H ILE A 27 9.507 4.623 -5.684 1.00 0.00 H new ATOM 0 HA ILE A 27 10.057 2.349 -7.321 1.00 0.00 H new ATOM 0 HB ILE A 27 7.435 3.239 -6.048 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.449 1.310 -4.870 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.514 3.028 -4.529 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.890 0.838 -6.106 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.176 1.486 -7.739 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.430 0.511 -6.936 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.313 1.829 -2.766 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.221 2.947 -3.616 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.155 1.203 -3.963 1.00 0.00 H new ATOM 577 N ASP A 39 -4.643 8.745 -7.715 1.00 0.00 N ATOM 578 CA ASP A 39 -4.434 7.311 -7.883 1.00 0.00 C ATOM 579 C ASP A 39 -4.516 6.590 -6.541 1.00 0.00 C ATOM 580 O ASP A 39 -5.369 5.725 -6.341 1.00 0.00 O ATOM 581 CB ASP A 39 -3.077 7.046 -8.537 1.00 0.00 C ATOM 582 CG ASP A 39 -3.057 7.427 -10.004 1.00 0.00 C ATOM 583 OD1 ASP A 39 -3.982 7.018 -10.737 1.00 0.00 O ATOM 584 OD2 ASP A 39 -2.116 8.136 -10.419 1.00 0.00 O ATOM 0 HA ASP A 39 -5.222 6.926 -8.530 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.306 7.607 -8.008 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.828 5.990 -8.436 1.00 0.00 H new ATOM 589 N PHE A 40 -3.622 6.950 -5.626 1.00 0.00 N ATOM 590 CA PHE A 40 -3.592 6.336 -4.304 1.00 0.00 C ATOM 591 C PHE A 40 -5.003 6.010 -3.823 1.00 0.00 C ATOM 592 O PHE A 40 -5.214 5.041 -3.093 1.00 0.00 O ATOM 593 CB PHE A 40 -2.902 7.264 -3.302 1.00 0.00 C ATOM 594 CG PHE A 40 -1.420 7.040 -3.201 1.00 0.00 C ATOM 595 CD1 PHE A 40 -0.907 5.762 -3.047 1.00 0.00 C ATOM 596 CD2 PHE A 40 -0.539 8.108 -3.260 1.00 0.00 C ATOM 597 CE1 PHE A 40 0.456 5.553 -2.954 1.00 0.00 C ATOM 598 CE2 PHE A 40 0.825 7.905 -3.168 1.00 0.00 C ATOM 599 CZ PHE A 40 1.323 6.626 -3.013 1.00 0.00 C ATOM 0 H PHE A 40 -2.909 7.664 -5.776 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.027 5.406 -4.376 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.086 8.299 -3.591 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.351 7.122 -2.319 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.580 4.919 -2.999 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.923 9.110 -3.379 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.843 4.552 -2.835 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.501 8.746 -3.217 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.388 6.466 -2.938 1.00 0.00 H new ATOM 609 N SER A 41 -5.967 6.827 -4.237 1.00 0.00 N ATOM 610 CA SER A 41 -7.357 6.629 -3.846 1.00 0.00 C ATOM 611 C SER A 41 -7.738 5.153 -3.922 1.00 0.00 C ATOM 612 O SER A 41 -8.327 4.604 -2.991 1.00 0.00 O ATOM 613 CB SER A 41 -8.283 7.453 -4.742 1.00 0.00 C ATOM 614 OG SER A 41 -9.629 7.362 -4.307 1.00 0.00 O ATOM 0 H SER A 41 -5.810 7.632 -4.843 1.00 0.00 H new ATOM 0 HA SER A 41 -7.470 6.963 -2.814 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.966 8.496 -4.737 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.206 7.102 -5.771 1.00 0.00 H new ATOM 0 HG SER A 41 -10.157 8.073 -4.727 1.00 0.00 H new ATOM 620 N ASP A 42 -7.398 4.518 -5.038 1.00 0.00 N ATOM 621 CA ASP A 42 -7.703 3.106 -5.237 1.00 0.00 C ATOM 622 C ASP A 42 -6.726 2.225 -4.465 1.00 0.00 C ATOM 623 O ASP A 42 -5.514 2.433 -4.516 1.00 0.00 O ATOM 624 CB ASP A 42 -7.658 2.757 -6.726 1.00 0.00 C ATOM 625 CG ASP A 42 -6.588 3.533 -7.469 1.00 0.00 C ATOM 626 OD1 ASP A 42 -5.395 3.366 -7.138 1.00 0.00 O ATOM 627 OD2 ASP A 42 -6.944 4.306 -8.383 1.00 0.00 O ATOM 0 H ASP A 42 -6.911 4.958 -5.819 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.708 2.920 -4.859 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.474 1.689 -6.841 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.630 2.963 -7.174 1.00 0.00 H new ATOM 632 N GLY A 43 -7.262 1.240 -3.750 1.00 0.00 N ATOM 633 CA GLY A 43 -6.423 0.343 -2.977 1.00 0.00 C ATOM 634 C GLY A 43 -5.656 -0.630 -3.850 1.00 0.00 C ATOM 635 O GLY A 43 -4.511 -0.971 -3.555 1.00 0.00 O ATOM 0 H GLY A 43 -8.262 1.048 -3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.719 0.928 -2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.043 -0.215 -2.275 1.00 0.00 H new ATOM 639 N VAL A 44 -6.290 -1.082 -4.928 1.00 0.00 N ATOM 640 CA VAL A 44 -5.660 -2.023 -5.847 1.00 0.00 C ATOM 641 C VAL A 44 -4.241 -1.587 -6.192 1.00 0.00 C ATOM 642 O VAL A 44 -3.322 -2.407 -6.240 1.00 0.00 O ATOM 643 CB VAL A 44 -6.473 -2.166 -7.148 1.00 0.00 C ATOM 644 CG1 VAL A 44 -5.841 -3.206 -8.060 1.00 0.00 C ATOM 645 CG2 VAL A 44 -7.918 -2.525 -6.836 1.00 0.00 C ATOM 0 H VAL A 44 -7.239 -0.812 -5.186 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.627 -2.987 -5.340 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.465 -1.208 -7.669 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.429 -3.294 -8.974 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.825 -2.901 -8.310 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.816 -4.169 -7.551 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.478 -2.622 -7.766 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.949 -3.470 -6.293 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.364 -1.741 -6.224 1.00 0.00 H new ATOM 655 N LEU A 45 -4.067 -0.293 -6.432 1.00 0.00 N ATOM 656 CA LEU A 45 -2.758 0.253 -6.773 1.00 0.00 C ATOM 657 C LEU A 45 -1.782 0.095 -5.611 1.00 0.00 C ATOM 658 O LEU A 45 -0.712 -0.494 -5.760 1.00 0.00 O ATOM 659 CB LEU A 45 -2.882 1.730 -7.152 1.00 0.00 C ATOM 660 CG LEU A 45 -1.567 2.482 -7.364 1.00 0.00 C ATOM 661 CD1 LEU A 45 -0.706 1.771 -8.397 1.00 0.00 C ATOM 662 CD2 LEU A 45 -1.836 3.918 -7.788 1.00 0.00 C ATOM 0 H LEU A 45 -4.816 0.399 -6.397 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.371 -0.304 -7.627 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.470 1.801 -8.067 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.446 2.239 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.024 2.499 -6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.225 2.320 -8.535 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.484 0.761 -8.053 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.242 1.721 -9.345 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.889 4.438 -7.934 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.400 3.922 -8.721 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.412 4.424 -7.013 1.00 0.00 H new ATOM 674 N VAL A 46 -2.161 0.625 -4.451 1.00 0.00 N ATOM 675 CA VAL A 46 -1.322 0.540 -3.262 1.00 0.00 C ATOM 676 C VAL A 46 -0.646 -0.823 -3.162 1.00 0.00 C ATOM 677 O VAL A 46 0.529 -0.921 -2.810 1.00 0.00 O ATOM 678 CB VAL A 46 -2.138 0.791 -1.980 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.242 0.715 -0.753 1.00 0.00 C ATOM 680 CG2 VAL A 46 -2.842 2.137 -2.053 1.00 0.00 C ATOM 0 H VAL A 46 -3.043 1.117 -4.310 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.560 1.314 -3.357 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.897 0.013 -1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.836 0.895 0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.788 -0.274 -0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.459 1.470 -0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.414 2.298 -1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.102 2.929 -2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.516 2.149 -2.910 1.00 0.00 H new ATOM 690 N ALA A 47 -1.397 -1.874 -3.476 1.00 0.00 N ATOM 691 CA ALA A 47 -0.870 -3.232 -3.424 1.00 0.00 C ATOM 692 C ALA A 47 0.464 -3.332 -4.157 1.00 0.00 C ATOM 693 O ALA A 47 1.411 -3.939 -3.658 1.00 0.00 O ATOM 694 CB ALA A 47 -1.874 -4.210 -4.016 1.00 0.00 C ATOM 0 H ALA A 47 -2.372 -1.811 -3.769 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.700 -3.490 -2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.468 -5.220 -3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.803 -4.167 -3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.072 -3.944 -5.055 1.00 0.00 H new ATOM 700 N GLU A 48 0.529 -2.733 -5.342 1.00 0.00 N ATOM 701 CA GLU A 48 1.748 -2.756 -6.142 1.00 0.00 C ATOM 702 C GLU A 48 2.917 -2.152 -5.371 1.00 0.00 C ATOM 703 O GLU A 48 4.048 -2.630 -5.461 1.00 0.00 O ATOM 704 CB GLU A 48 1.538 -1.995 -7.453 1.00 0.00 C ATOM 705 CG GLU A 48 0.465 -2.598 -8.343 1.00 0.00 C ATOM 706 CD GLU A 48 1.000 -3.701 -9.236 1.00 0.00 C ATOM 707 OE1 GLU A 48 1.778 -3.391 -10.161 1.00 0.00 O ATOM 708 OE2 GLU A 48 0.640 -4.875 -9.008 1.00 0.00 O ATOM 0 H GLU A 48 -0.247 -2.227 -5.769 1.00 0.00 H new ATOM 0 HA GLU A 48 1.984 -3.796 -6.368 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.271 -0.963 -7.225 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.479 -1.967 -8.002 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.337 -2.996 -7.721 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.029 -1.814 -8.962 1.00 0.00 H new ATOM 715 N VAL A 49 2.637 -1.097 -4.613 1.00 0.00 N ATOM 716 CA VAL A 49 3.664 -0.426 -3.826 1.00 0.00 C ATOM 717 C VAL A 49 4.364 -1.404 -2.888 1.00 0.00 C ATOM 718 O VAL A 49 5.554 -1.264 -2.604 1.00 0.00 O ATOM 719 CB VAL A 49 3.071 0.729 -2.996 1.00 0.00 C ATOM 720 CG1 VAL A 49 4.138 1.351 -2.108 1.00 0.00 C ATOM 721 CG2 VAL A 49 2.449 1.775 -3.909 1.00 0.00 C ATOM 0 H VAL A 49 1.706 -0.688 -4.527 1.00 0.00 H new ATOM 0 HA VAL A 49 4.389 -0.021 -4.532 1.00 0.00 H new ATOM 0 HB VAL A 49 2.287 0.328 -2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.701 2.165 -1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.533 0.595 -1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.946 1.740 -2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.035 2.584 -3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.212 2.174 -4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.654 1.317 -4.498 1.00 0.00 H new ATOM 731 N ILE A 50 3.617 -2.394 -2.411 1.00 0.00 N ATOM 732 CA ILE A 50 4.166 -3.396 -1.506 1.00 0.00 C ATOM 733 C ILE A 50 5.040 -4.395 -2.258 1.00 0.00 C ATOM 734 O ILE A 50 6.042 -4.879 -1.731 1.00 0.00 O ATOM 735 CB ILE A 50 3.051 -4.161 -0.769 1.00 0.00 C ATOM 736 CG1 ILE A 50 2.048 -3.180 -0.158 1.00 0.00 C ATOM 737 CG2 ILE A 50 3.645 -5.058 0.306 1.00 0.00 C ATOM 738 CD1 ILE A 50 0.780 -3.840 0.336 1.00 0.00 C ATOM 0 H ILE A 50 2.631 -2.524 -2.636 1.00 0.00 H new ATOM 0 HA ILE A 50 4.773 -2.862 -0.775 1.00 0.00 H new ATOM 0 HB ILE A 50 2.525 -4.789 -1.488 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.523 -2.658 0.672 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.790 -2.427 -0.902 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.844 -5.592 0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.324 -5.776 -0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.193 -4.450 1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.116 -3.084 0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.282 -4.339 -0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.027 -4.573 1.104 1.00 0.00 H new ATOM 750 N LYS A 51 4.655 -4.698 -3.493 1.00 0.00 N ATOM 751 CA LYS A 51 5.404 -5.636 -4.320 1.00 0.00 C ATOM 752 C LYS A 51 6.904 -5.375 -4.217 1.00 0.00 C ATOM 753 O LYS A 51 7.697 -6.304 -4.063 1.00 0.00 O ATOM 754 CB LYS A 51 4.957 -5.531 -5.779 1.00 0.00 C ATOM 755 CG LYS A 51 5.643 -6.526 -6.699 1.00 0.00 C ATOM 756 CD LYS A 51 4.890 -7.845 -6.756 1.00 0.00 C ATOM 757 CE LYS A 51 5.122 -8.563 -8.077 1.00 0.00 C ATOM 758 NZ LYS A 51 6.572 -8.759 -8.354 1.00 0.00 N ATOM 0 H LYS A 51 3.828 -4.307 -3.943 1.00 0.00 H new ATOM 0 HA LYS A 51 5.202 -6.643 -3.956 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.879 -5.684 -5.832 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.154 -4.521 -6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.717 -6.105 -7.702 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.661 -6.702 -6.351 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.210 -8.484 -5.933 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.824 -7.662 -6.622 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.622 -9.531 -8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.672 -7.989 -8.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.687 -9.381 -9.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.016 -7.839 -8.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.028 -9.194 -7.527 1.00 0.00 H new ATOM 772 N PHE A 52 7.286 -4.105 -4.301 1.00 0.00 N ATOM 773 CA PHE A 52 8.690 -3.722 -4.217 1.00 0.00 C ATOM 774 C PHE A 52 9.334 -4.288 -2.954 1.00 0.00 C ATOM 775 O PHE A 52 10.474 -4.751 -2.980 1.00 0.00 O ATOM 776 CB PHE A 52 8.827 -2.198 -4.233 1.00 0.00 C ATOM 777 CG PHE A 52 10.250 -1.725 -4.322 1.00 0.00 C ATOM 778 CD1 PHE A 52 11.143 -1.976 -3.292 1.00 0.00 C ATOM 779 CD2 PHE A 52 10.694 -1.030 -5.435 1.00 0.00 C ATOM 780 CE1 PHE A 52 12.452 -1.540 -3.371 1.00 0.00 C ATOM 781 CE2 PHE A 52 12.003 -0.592 -5.520 1.00 0.00 C ATOM 782 CZ PHE A 52 12.883 -0.849 -4.487 1.00 0.00 C ATOM 0 H PHE A 52 6.643 -3.324 -4.427 1.00 0.00 H new ATOM 0 HA PHE A 52 9.206 -4.136 -5.084 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.267 -1.800 -5.079 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.373 -1.791 -3.330 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.812 -2.518 -2.418 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.010 -0.828 -6.246 1.00 0.00 H new ATOM 0 HE1 PHE A 52 13.138 -1.739 -2.561 1.00 0.00 H new ATOM 0 HE2 PHE A 52 12.337 -0.050 -6.393 1.00 0.00 H new ATOM 0 HZ PHE A 52 13.906 -0.510 -4.552 1.00 0.00 H new ATOM 792 N TYR A 53 8.594 -4.247 -1.852 1.00 0.00 N ATOM 793 CA TYR A 53 9.093 -4.752 -0.578 1.00 0.00 C ATOM 794 C TYR A 53 8.937 -6.268 -0.495 1.00 0.00 C ATOM 795 O TYR A 53 9.921 -7.000 -0.387 1.00 0.00 O ATOM 796 CB TYR A 53 8.352 -4.088 0.584 1.00 0.00 C ATOM 797 CG TYR A 53 8.706 -2.630 0.772 1.00 0.00 C ATOM 798 CD1 TYR A 53 8.033 -1.635 0.074 1.00 0.00 C ATOM 799 CD2 TYR A 53 9.713 -2.248 1.650 1.00 0.00 C ATOM 800 CE1 TYR A 53 8.354 -0.302 0.243 1.00 0.00 C ATOM 801 CE2 TYR A 53 10.039 -0.917 1.827 1.00 0.00 C ATOM 802 CZ TYR A 53 9.357 0.052 1.121 1.00 0.00 C ATOM 803 OH TYR A 53 9.679 1.379 1.293 1.00 0.00 O ATOM 0 H TYR A 53 7.647 -3.870 -1.815 1.00 0.00 H new ATOM 0 HA TYR A 53 10.153 -4.509 -0.510 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.278 -4.174 0.416 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.575 -4.629 1.503 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.245 -1.908 -0.613 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.250 -3.004 2.203 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.822 0.459 -0.309 1.00 0.00 H new ATOM 0 HE2 TYR A 53 10.824 -0.637 2.514 1.00 0.00 H new ATOM 0 HH TYR A 53 10.405 1.457 1.946 1.00 0.00 H new ATOM 813 N PHE A 54 7.692 -6.732 -0.547 1.00 0.00 N ATOM 814 CA PHE A 54 7.405 -8.160 -0.477 1.00 0.00 C ATOM 815 C PHE A 54 6.412 -8.568 -1.561 1.00 0.00 C ATOM 816 O PHE A 54 5.300 -8.046 -1.648 1.00 0.00 O ATOM 817 CB PHE A 54 6.851 -8.523 0.902 1.00 0.00 C ATOM 818 CG PHE A 54 7.650 -7.952 2.039 1.00 0.00 C ATOM 819 CD1 PHE A 54 8.973 -8.316 2.225 1.00 0.00 C ATOM 820 CD2 PHE A 54 7.076 -7.051 2.922 1.00 0.00 C ATOM 821 CE1 PHE A 54 9.711 -7.792 3.270 1.00 0.00 C ATOM 822 CE2 PHE A 54 7.809 -6.523 3.968 1.00 0.00 C ATOM 823 CZ PHE A 54 9.128 -6.895 4.143 1.00 0.00 C ATOM 0 H PHE A 54 6.866 -6.140 -0.637 1.00 0.00 H new ATOM 0 HA PHE A 54 8.337 -8.702 -0.640 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.823 -8.168 0.977 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.821 -9.608 0.998 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.434 -9.018 1.546 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.045 -6.758 2.791 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.742 -8.084 3.403 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.351 -5.820 4.648 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.702 -6.485 4.961 1.00 0.00 H new ATOM 833 N PRO A 55 6.821 -9.524 -2.407 1.00 0.00 N ATOM 834 CA PRO A 55 5.983 -10.025 -3.501 1.00 0.00 C ATOM 835 C PRO A 55 4.798 -10.841 -2.996 1.00 0.00 C ATOM 836 O PRO A 55 3.654 -10.597 -3.379 1.00 0.00 O ATOM 837 CB PRO A 55 6.939 -10.910 -4.304 1.00 0.00 C ATOM 838 CG PRO A 55 7.974 -11.338 -3.322 1.00 0.00 C ATOM 839 CD PRO A 55 8.133 -10.191 -2.362 1.00 0.00 C ATOM 0 HA PRO A 55 5.543 -9.214 -4.081 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.420 -11.768 -4.731 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.384 -10.361 -5.134 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.666 -12.244 -2.800 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.917 -11.563 -3.821 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.373 -10.538 -1.357 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.936 -9.520 -2.667 1.00 0.00 H new ATOM 847 N LYS A 56 5.079 -11.813 -2.134 1.00 0.00 N ATOM 848 CA LYS A 56 4.037 -12.665 -1.575 1.00 0.00 C ATOM 849 C LYS A 56 2.935 -11.828 -0.933 1.00 0.00 C ATOM 850 O LYS A 56 1.764 -11.945 -1.293 1.00 0.00 O ATOM 851 CB LYS A 56 4.633 -13.622 -0.540 1.00 0.00 C ATOM 852 CG LYS A 56 5.663 -14.578 -1.118 1.00 0.00 C ATOM 853 CD LYS A 56 6.709 -14.961 -0.085 1.00 0.00 C ATOM 854 CE LYS A 56 7.604 -16.084 -0.587 1.00 0.00 C ATOM 855 NZ LYS A 56 6.842 -17.345 -0.803 1.00 0.00 N ATOM 0 H LYS A 56 6.021 -12.030 -1.808 1.00 0.00 H new ATOM 0 HA LYS A 56 3.601 -13.244 -2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.097 -13.040 0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.828 -14.200 -0.086 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.164 -15.476 -1.482 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.150 -14.114 -1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.318 -14.090 0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.216 -15.272 0.836 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.078 -15.781 -1.521 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.403 -16.261 0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.503 -18.147 -0.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.175 -17.486 -0.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.315 -17.283 -1.698 1.00 0.00 H new ATOM 869 N MET A 57 3.319 -10.983 0.018 1.00 0.00 N ATOM 870 CA MET A 57 2.363 -10.124 0.708 1.00 0.00 C ATOM 871 C MET A 57 1.280 -9.637 -0.250 1.00 0.00 C ATOM 872 O MET A 57 0.115 -9.512 0.127 1.00 0.00 O ATOM 873 CB MET A 57 3.080 -8.927 1.335 1.00 0.00 C ATOM 874 CG MET A 57 3.866 -9.279 2.588 1.00 0.00 C ATOM 875 SD MET A 57 2.835 -9.313 4.068 1.00 0.00 S ATOM 876 CE MET A 57 3.060 -7.643 4.675 1.00 0.00 C ATOM 0 H MET A 57 4.285 -10.875 0.328 1.00 0.00 H new ATOM 0 HA MET A 57 1.890 -10.709 1.497 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.758 -8.494 0.600 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.345 -8.161 1.580 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.337 -10.253 2.455 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.668 -8.554 2.725 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.681 -7.572 5.694 1.00 0.00 H new ATOM 0 HE2 MET A 57 4.121 -7.392 4.664 1.00 0.00 H new ATOM 0 HE3 MET A 57 2.516 -6.947 4.036 1.00 0.00 H new ATOM 886 N VAL A 58 1.673 -9.363 -1.490 1.00 0.00 N ATOM 887 CA VAL A 58 0.735 -8.890 -2.502 1.00 0.00 C ATOM 888 C VAL A 58 -0.038 -10.050 -3.119 1.00 0.00 C ATOM 889 O VAL A 58 0.545 -11.063 -3.503 1.00 0.00 O ATOM 890 CB VAL A 58 1.459 -8.118 -3.621 1.00 0.00 C ATOM 891 CG1 VAL A 58 0.456 -7.549 -4.612 1.00 0.00 C ATOM 892 CG2 VAL A 58 2.323 -7.013 -3.031 1.00 0.00 C ATOM 0 H VAL A 58 2.634 -9.460 -1.818 1.00 0.00 H new ATOM 0 HA VAL A 58 0.039 -8.219 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 58 2.109 -8.811 -4.156 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.986 -7.007 -5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.117 -8.362 -5.057 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.221 -6.869 -4.095 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.828 -6.477 -3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.695 -6.320 -2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.066 -7.449 -2.364 1.00 0.00 H new ATOM 902 N GLU A 59 -1.355 -9.894 -3.211 1.00 0.00 N ATOM 903 CA GLU A 59 -2.209 -10.930 -3.781 1.00 0.00 C ATOM 904 C GLU A 59 -3.196 -10.332 -4.780 1.00 0.00 C ATOM 905 O GLU A 59 -4.228 -9.783 -4.396 1.00 0.00 O ATOM 906 CB GLU A 59 -2.968 -11.663 -2.674 1.00 0.00 C ATOM 907 CG GLU A 59 -3.346 -13.090 -3.037 1.00 0.00 C ATOM 908 CD GLU A 59 -2.149 -14.020 -3.069 1.00 0.00 C ATOM 909 OE1 GLU A 59 -1.669 -14.408 -1.983 1.00 0.00 O ATOM 910 OE2 GLU A 59 -1.692 -14.359 -4.180 1.00 0.00 O ATOM 0 H GLU A 59 -1.854 -9.061 -2.898 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.572 -11.641 -4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.355 -11.676 -1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.874 -11.106 -2.436 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.073 -13.464 -2.316 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.832 -13.096 -4.012 1.00 0.00 H new ATOM 917 N MET A 60 -2.870 -10.444 -6.064 1.00 0.00 N ATOM 918 CA MET A 60 -3.728 -9.915 -7.118 1.00 0.00 C ATOM 919 C MET A 60 -4.649 -11.001 -7.665 1.00 0.00 C ATOM 920 O MET A 60 -4.666 -11.267 -8.867 1.00 0.00 O ATOM 921 CB MET A 60 -2.880 -9.331 -8.250 1.00 0.00 C ATOM 922 CG MET A 60 -2.360 -7.933 -7.961 1.00 0.00 C ATOM 923 SD MET A 60 -3.498 -6.643 -8.502 1.00 0.00 S ATOM 924 CE MET A 60 -4.053 -5.998 -6.926 1.00 0.00 C ATOM 0 H MET A 60 -2.019 -10.896 -6.399 1.00 0.00 H new ATOM 0 HA MET A 60 -4.343 -9.124 -6.689 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.034 -9.993 -8.438 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.475 -9.307 -9.163 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.182 -7.830 -6.891 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.400 -7.797 -8.458 1.00 0.00 H new ATOM 0 HE1 MET A 60 -5.118 -6.196 -6.807 1.00 0.00 H new ATOM 0 HE2 MET A 60 -3.502 -6.482 -6.120 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.877 -4.923 -6.891 1.00 0.00 H new ATOM 934 N HIS A 61 -5.413 -11.626 -6.775 1.00 0.00 N ATOM 935 CA HIS A 61 -6.338 -12.683 -7.169 1.00 0.00 C ATOM 936 C HIS A 61 -7.736 -12.414 -6.622 1.00 0.00 C ATOM 937 O HIS A 61 -8.735 -12.798 -7.229 1.00 0.00 O ATOM 938 CB HIS A 61 -5.836 -14.039 -6.673 1.00 0.00 C ATOM 939 CG HIS A 61 -4.938 -14.739 -7.648 1.00 0.00 C ATOM 940 ND1 HIS A 61 -3.736 -14.215 -8.074 1.00 0.00 N ATOM 941 CD2 HIS A 61 -5.073 -15.928 -8.279 1.00 0.00 C ATOM 942 CE1 HIS A 61 -3.171 -15.051 -8.926 1.00 0.00 C ATOM 943 NE2 HIS A 61 -3.962 -16.099 -9.067 1.00 0.00 N ATOM 0 H HIS A 61 -5.410 -11.419 -5.776 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.390 -12.699 -8.258 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.300 -13.898 -5.735 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.693 -14.678 -6.457 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.901 -16.615 -8.181 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -2.224 -14.903 -9.423 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -3.777 -16.905 -9.664 1.00 0.00 H new ATOM 952 N ASN A 62 -7.799 -11.752 -5.471 1.00 0.00 N ATOM 953 CA ASN A 62 -9.075 -11.433 -4.841 1.00 0.00 C ATOM 954 C ASN A 62 -9.540 -10.034 -5.232 1.00 0.00 C ATOM 955 O ASN A 62 -10.627 -9.860 -5.783 1.00 0.00 O ATOM 956 CB ASN A 62 -8.957 -11.537 -3.320 1.00 0.00 C ATOM 957 CG ASN A 62 -7.845 -10.668 -2.765 1.00 0.00 C ATOM 958 OD1 ASN A 62 -8.080 -9.535 -2.343 1.00 0.00 O ATOM 959 ND2 ASN A 62 -6.626 -11.195 -2.765 1.00 0.00 N ATOM 0 H ASN A 62 -6.981 -11.426 -4.956 1.00 0.00 H new ATOM 0 HA ASN A 62 -9.814 -12.153 -5.191 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -9.903 -11.246 -2.864 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.776 -12.575 -3.043 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.838 -10.657 -2.405 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.478 -12.138 -3.125 1.00 0.00 H new ATOM 966 N TYR A 63 -8.708 -9.039 -4.944 1.00 0.00 N ATOM 967 CA TYR A 63 -9.034 -7.654 -5.263 1.00 0.00 C ATOM 968 C TYR A 63 -9.332 -7.493 -6.750 1.00 0.00 C ATOM 969 O TYR A 63 -8.869 -8.280 -7.577 1.00 0.00 O ATOM 970 CB TYR A 63 -7.883 -6.731 -4.859 1.00 0.00 C ATOM 971 CG TYR A 63 -7.331 -7.019 -3.481 1.00 0.00 C ATOM 972 CD1 TYR A 63 -8.100 -6.807 -2.344 1.00 0.00 C ATOM 973 CD2 TYR A 63 -6.039 -7.505 -3.317 1.00 0.00 C ATOM 974 CE1 TYR A 63 -7.599 -7.068 -1.083 1.00 0.00 C ATOM 975 CE2 TYR A 63 -5.530 -7.771 -2.060 1.00 0.00 C ATOM 976 CZ TYR A 63 -6.314 -7.550 -0.947 1.00 0.00 C ATOM 977 OH TYR A 63 -5.812 -7.813 0.307 1.00 0.00 O ATOM 0 H TYR A 63 -7.803 -9.166 -4.490 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.926 -7.379 -4.701 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.080 -6.825 -5.590 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.228 -5.697 -4.895 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.107 -6.432 -2.447 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.422 -7.678 -4.187 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -8.210 -6.896 -0.209 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.525 -8.150 -1.950 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.894 -8.147 0.228 1.00 0.00 H new ATOM 987 N VAL A 64 -10.107 -6.467 -7.085 1.00 0.00 N ATOM 988 CA VAL A 64 -10.466 -6.200 -8.472 1.00 0.00 C ATOM 989 C VAL A 64 -10.651 -4.706 -8.715 1.00 0.00 C ATOM 990 O VAL A 64 -11.229 -3.986 -7.899 1.00 0.00 O ATOM 991 CB VAL A 64 -11.759 -6.937 -8.869 1.00 0.00 C ATOM 992 CG1 VAL A 64 -12.153 -6.593 -10.298 1.00 0.00 C ATOM 993 CG2 VAL A 64 -11.588 -8.439 -8.701 1.00 0.00 C ATOM 0 H VAL A 64 -10.499 -5.806 -6.414 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.644 -6.566 -9.087 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.561 -6.609 -8.208 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -13.069 -7.123 -10.561 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.319 -5.519 -10.381 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.354 -6.890 -10.977 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -12.511 -8.944 -8.986 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.773 -8.786 -9.337 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.357 -8.665 -7.660 1.00 0.00 H new ATOM 1003 N PRO A 65 -10.150 -4.226 -9.863 1.00 0.00 N ATOM 1004 CA PRO A 65 -10.248 -2.813 -10.240 1.00 0.00 C ATOM 1005 C PRO A 65 -11.677 -2.401 -10.578 1.00 0.00 C ATOM 1006 O PRO A 65 -12.217 -2.790 -11.613 1.00 0.00 O ATOM 1007 CB PRO A 65 -9.356 -2.714 -11.480 1.00 0.00 C ATOM 1008 CG PRO A 65 -9.350 -4.090 -12.053 1.00 0.00 C ATOM 1009 CD PRO A 65 -9.449 -5.027 -10.881 1.00 0.00 C ATOM 0 HA PRO A 65 -9.946 -2.153 -9.427 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.749 -1.990 -12.194 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -8.349 -2.390 -11.218 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -10.186 -4.231 -12.737 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.438 -4.272 -12.622 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -10.004 -5.930 -11.134 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.465 -5.344 -10.536 1.00 0.00 H new ATOM 1017 N ALA A 66 -12.284 -1.612 -9.698 1.00 0.00 N ATOM 1018 CA ALA A 66 -13.650 -1.146 -9.904 1.00 0.00 C ATOM 1019 C ALA A 66 -13.727 0.375 -9.834 1.00 0.00 C ATOM 1020 O ALA A 66 -12.826 1.028 -9.310 1.00 0.00 O ATOM 1021 CB ALA A 66 -14.582 -1.772 -8.877 1.00 0.00 C ATOM 0 H ALA A 66 -11.851 -1.282 -8.835 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.967 -1.454 -10.900 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.598 -1.415 -9.043 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.558 -2.857 -8.977 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -14.259 -1.493 -7.874 1.00 0.00 H new ATOM 1027 N ASN A 67 -14.810 0.933 -10.366 1.00 0.00 N ATOM 1028 CA ASN A 67 -15.003 2.379 -10.365 1.00 0.00 C ATOM 1029 C ASN A 67 -16.250 2.760 -9.572 1.00 0.00 C ATOM 1030 O ASN A 67 -16.849 3.810 -9.804 1.00 0.00 O ATOM 1031 CB ASN A 67 -15.118 2.900 -11.799 1.00 0.00 C ATOM 1032 CG ASN A 67 -13.770 3.252 -12.396 1.00 0.00 C ATOM 1033 OD1 ASN A 67 -13.342 2.658 -13.386 1.00 0.00 O ATOM 1034 ND2 ASN A 67 -13.092 4.223 -11.795 1.00 0.00 N ATOM 0 H ASN A 67 -15.567 0.407 -10.803 1.00 0.00 H new ATOM 0 HA ASN A 67 -14.136 2.836 -9.888 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -15.601 2.145 -12.419 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -15.759 3.781 -11.812 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.178 4.503 -12.152 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.485 4.688 -10.977 1.00 0.00 H new ATOM 1041 N SER A 68 -16.634 1.900 -8.634 1.00 0.00 N ATOM 1042 CA SER A 68 -17.810 2.144 -7.808 1.00 0.00 C ATOM 1043 C SER A 68 -17.427 2.253 -6.335 1.00 0.00 C ATOM 1044 O SER A 68 -16.715 1.402 -5.802 1.00 0.00 O ATOM 1045 CB SER A 68 -18.835 1.024 -7.999 1.00 0.00 C ATOM 1046 OG SER A 68 -20.145 1.477 -7.705 1.00 0.00 O ATOM 0 H SER A 68 -16.147 1.028 -8.427 1.00 0.00 H new ATOM 0 HA SER A 68 -18.253 3.090 -8.121 1.00 0.00 H new ATOM 0 HB2 SER A 68 -18.794 0.661 -9.026 1.00 0.00 H new ATOM 0 HB3 SER A 68 -18.584 0.183 -7.353 1.00 0.00 H new ATOM 0 HG SER A 68 -20.782 0.744 -7.836 1.00 0.00 H new ATOM 1052 N LEU A 69 -17.905 3.307 -5.683 1.00 0.00 N ATOM 1053 CA LEU A 69 -17.614 3.529 -4.271 1.00 0.00 C ATOM 1054 C LEU A 69 -17.655 2.218 -3.493 1.00 0.00 C ATOM 1055 O LEU A 69 -16.694 1.857 -2.816 1.00 0.00 O ATOM 1056 CB LEU A 69 -18.613 4.522 -3.674 1.00 0.00 C ATOM 1057 CG LEU A 69 -18.109 5.353 -2.493 1.00 0.00 C ATOM 1058 CD1 LEU A 69 -17.076 4.574 -1.694 1.00 0.00 C ATOM 1059 CD2 LEU A 69 -17.527 6.672 -2.980 1.00 0.00 C ATOM 0 H LEU A 69 -18.496 4.021 -6.109 1.00 0.00 H new ATOM 0 HA LEU A 69 -16.609 3.944 -4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -18.932 5.204 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -19.496 3.970 -3.353 1.00 0.00 H new ATOM 0 HG LEU A 69 -18.954 5.571 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -16.729 5.181 -0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -17.526 3.657 -1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -16.231 4.325 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.173 7.251 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.694 6.475 -3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -18.296 7.236 -3.507 1.00 0.00 H new ATOM 1071 N GLN A 70 -18.775 1.509 -3.598 1.00 0.00 N ATOM 1072 CA GLN A 70 -18.941 0.237 -2.905 1.00 0.00 C ATOM 1073 C GLN A 70 -17.690 -0.625 -3.043 1.00 0.00 C ATOM 1074 O GLN A 70 -17.071 -0.999 -2.048 1.00 0.00 O ATOM 1075 CB GLN A 70 -20.155 -0.513 -3.456 1.00 0.00 C ATOM 1076 CG GLN A 70 -21.476 0.190 -3.192 1.00 0.00 C ATOM 1077 CD GLN A 70 -22.631 -0.432 -3.952 1.00 0.00 C ATOM 1078 OE1 GLN A 70 -22.684 -0.373 -5.181 1.00 0.00 O ATOM 1079 NE2 GLN A 70 -23.564 -1.033 -3.223 1.00 0.00 N ATOM 0 H GLN A 70 -19.580 1.794 -4.156 1.00 0.00 H new ATOM 0 HA GLN A 70 -19.101 0.446 -1.847 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -20.032 -0.646 -4.531 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -20.188 -1.509 -3.013 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -21.691 0.161 -2.124 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -21.386 1.240 -3.471 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -23.480 -1.058 -2.207 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -24.365 -1.470 -3.679 1.00 0.00 H new ATOM 1088 N GLN A 71 -17.325 -0.936 -4.283 1.00 0.00 N ATOM 1089 CA GLN A 71 -16.149 -1.755 -4.550 1.00 0.00 C ATOM 1090 C GLN A 71 -14.897 -1.120 -3.954 1.00 0.00 C ATOM 1091 O GLN A 71 -14.109 -1.786 -3.282 1.00 0.00 O ATOM 1092 CB GLN A 71 -15.968 -1.950 -6.056 1.00 0.00 C ATOM 1093 CG GLN A 71 -16.698 -3.166 -6.603 1.00 0.00 C ATOM 1094 CD GLN A 71 -15.875 -4.435 -6.503 1.00 0.00 C ATOM 1095 OE1 GLN A 71 -15.104 -4.761 -7.406 1.00 0.00 O ATOM 1096 NE2 GLN A 71 -16.035 -5.159 -5.402 1.00 0.00 N ATOM 0 H GLN A 71 -17.827 -0.633 -5.118 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.300 -2.727 -4.081 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -16.323 -1.059 -6.575 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -14.905 -2.045 -6.277 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -17.632 -3.300 -6.058 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -16.960 -2.989 -7.646 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -16.685 -4.851 -4.679 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.508 -6.023 -5.279 1.00 0.00 H new ATOM 1105 N LYS A 72 -14.719 0.173 -4.204 1.00 0.00 N ATOM 1106 CA LYS A 72 -13.564 0.900 -3.692 1.00 0.00 C ATOM 1107 C LYS A 72 -13.280 0.520 -2.242 1.00 0.00 C ATOM 1108 O LYS A 72 -12.245 -0.074 -1.936 1.00 0.00 O ATOM 1109 CB LYS A 72 -13.797 2.409 -3.798 1.00 0.00 C ATOM 1110 CG LYS A 72 -14.014 2.892 -5.222 1.00 0.00 C ATOM 1111 CD LYS A 72 -12.696 3.146 -5.932 1.00 0.00 C ATOM 1112 CE LYS A 72 -12.144 1.873 -6.556 1.00 0.00 C ATOM 1113 NZ LYS A 72 -11.258 2.163 -7.717 1.00 0.00 N ATOM 0 H LYS A 72 -15.361 0.739 -4.759 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.699 0.628 -4.297 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.665 2.677 -3.196 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.940 2.931 -3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.589 2.149 -5.775 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.604 3.808 -5.210 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.838 3.900 -6.706 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.972 3.549 -5.224 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.587 1.313 -5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.970 1.239 -6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.766 1.958 -8.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.981 3.165 -7.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.407 1.568 -7.661 1.00 0.00 H new ATOM 1127 N LEU A 73 -14.206 0.864 -1.353 1.00 0.00 N ATOM 1128 CA LEU A 73 -14.056 0.557 0.065 1.00 0.00 C ATOM 1129 C LEU A 73 -13.953 -0.948 0.289 1.00 0.00 C ATOM 1130 O LEU A 73 -13.105 -1.417 1.048 1.00 0.00 O ATOM 1131 CB LEU A 73 -15.236 1.122 0.857 1.00 0.00 C ATOM 1132 CG LEU A 73 -15.103 2.575 1.315 1.00 0.00 C ATOM 1133 CD1 LEU A 73 -16.441 3.105 1.806 1.00 0.00 C ATOM 1134 CD2 LEU A 73 -14.047 2.697 2.404 1.00 0.00 C ATOM 0 H LEU A 73 -15.068 1.355 -1.589 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.135 1.022 0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.133 1.036 0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -15.390 0.497 1.737 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.788 3.177 0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -16.326 4.140 2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.171 3.055 0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -16.786 2.501 2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.966 3.738 2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.332 2.082 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.085 2.359 2.018 1.00 0.00 H new ATOM 1146 N SER A 74 -14.822 -1.701 -0.379 1.00 0.00 N ATOM 1147 CA SER A 74 -14.830 -3.154 -0.253 1.00 0.00 C ATOM 1148 C SER A 74 -13.408 -3.704 -0.212 1.00 0.00 C ATOM 1149 O SER A 74 -13.069 -4.517 0.647 1.00 0.00 O ATOM 1150 CB SER A 74 -15.599 -3.784 -1.415 1.00 0.00 C ATOM 1151 OG SER A 74 -15.993 -5.110 -1.107 1.00 0.00 O ATOM 0 H SER A 74 -15.529 -1.329 -1.013 1.00 0.00 H new ATOM 0 HA SER A 74 -15.327 -3.409 0.683 1.00 0.00 H new ATOM 0 HB2 SER A 74 -16.480 -3.183 -1.641 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.976 -3.785 -2.309 1.00 0.00 H new ATOM 0 HG SER A 74 -16.484 -5.490 -1.865 1.00 0.00 H new ATOM 1157 N ASN A 75 -12.579 -3.253 -1.148 1.00 0.00 N ATOM 1158 CA ASN A 75 -11.192 -3.700 -1.221 1.00 0.00 C ATOM 1159 C ASN A 75 -10.418 -3.277 0.025 1.00 0.00 C ATOM 1160 O ASN A 75 -9.795 -4.103 0.691 1.00 0.00 O ATOM 1161 CB ASN A 75 -10.517 -3.134 -2.471 1.00 0.00 C ATOM 1162 CG ASN A 75 -10.765 -3.988 -3.699 1.00 0.00 C ATOM 1163 OD1 ASN A 75 -10.781 -5.216 -3.622 1.00 0.00 O ATOM 1164 ND2 ASN A 75 -10.960 -3.339 -4.842 1.00 0.00 N ATOM 0 H ASN A 75 -12.843 -2.579 -1.866 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.190 -4.789 -1.277 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -10.885 -2.124 -2.654 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.444 -3.056 -2.297 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.132 -3.860 -5.702 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.938 -2.319 -4.860 1.00 0.00 H new ATOM 1171 N TRP A 76 -10.464 -1.986 0.332 1.00 0.00 N ATOM 1172 CA TRP A 76 -9.768 -1.453 1.497 1.00 0.00 C ATOM 1173 C TRP A 76 -10.019 -2.320 2.726 1.00 0.00 C ATOM 1174 O TRP A 76 -9.082 -2.743 3.401 1.00 0.00 O ATOM 1175 CB TRP A 76 -10.216 -0.016 1.772 1.00 0.00 C ATOM 1176 CG TRP A 76 -9.473 1.003 0.961 1.00 0.00 C ATOM 1177 CD1 TRP A 76 -9.908 1.619 -0.177 1.00 0.00 C ATOM 1178 CD2 TRP A 76 -8.166 1.522 1.227 1.00 0.00 C ATOM 1179 NE1 TRP A 76 -8.949 2.490 -0.636 1.00 0.00 N ATOM 1180 CE2 TRP A 76 -7.871 2.449 0.208 1.00 0.00 C ATOM 1181 CE3 TRP A 76 -7.216 1.295 2.226 1.00 0.00 C ATOM 1182 CZ2 TRP A 76 -6.667 3.146 0.162 1.00 0.00 C ATOM 1183 CZ3 TRP A 76 -6.021 1.987 2.179 1.00 0.00 C ATOM 1184 CH2 TRP A 76 -5.755 2.904 1.154 1.00 0.00 C ATOM 0 H TRP A 76 -10.976 -1.289 -0.209 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.699 -1.459 1.284 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -11.282 0.071 1.563 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -10.080 0.203 2.831 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -10.865 1.447 -0.647 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -9.027 3.072 -1.470 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -7.412 0.591 3.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -6.460 3.853 -0.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.279 1.818 2.946 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -4.812 3.430 1.146 1.00 0.00 H new ATOM 1195 N GLY A 77 -11.292 -2.582 3.009 1.00 0.00 N ATOM 1196 CA GLY A 77 -11.643 -3.399 4.157 1.00 0.00 C ATOM 1197 C GLY A 77 -10.906 -4.723 4.173 1.00 0.00 C ATOM 1198 O GLY A 77 -10.477 -5.191 5.229 1.00 0.00 O ATOM 0 H GLY A 77 -12.085 -2.244 2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.418 -2.851 5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.717 -3.585 4.152 1.00 0.00 H new ATOM 1202 N HIS A 78 -10.760 -5.332 3.000 1.00 0.00 N ATOM 1203 CA HIS A 78 -10.070 -6.612 2.884 1.00 0.00 C ATOM 1204 C HIS A 78 -8.571 -6.445 3.115 1.00 0.00 C ATOM 1205 O HIS A 78 -7.942 -7.259 3.791 1.00 0.00 O ATOM 1206 CB HIS A 78 -10.321 -7.227 1.507 1.00 0.00 C ATOM 1207 CG HIS A 78 -11.590 -8.017 1.426 1.00 0.00 C ATOM 1208 ND1 HIS A 78 -11.626 -9.351 1.076 1.00 0.00 N ATOM 1209 CD2 HIS A 78 -12.875 -7.655 1.653 1.00 0.00 C ATOM 1210 CE1 HIS A 78 -12.877 -9.774 1.090 1.00 0.00 C ATOM 1211 NE2 HIS A 78 -13.655 -8.764 1.437 1.00 0.00 N ATOM 0 H HIS A 78 -11.110 -4.960 2.117 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.465 -7.280 3.649 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -10.350 -6.431 0.763 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -9.483 -7.874 1.249 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -13.222 -6.676 1.949 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -13.208 -10.775 0.857 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -14.670 -8.802 1.529 1.00 0.00 H new ATOM 1220 N LEU A 79 -8.005 -5.385 2.548 1.00 0.00 N ATOM 1221 CA LEU A 79 -6.579 -5.111 2.691 1.00 0.00 C ATOM 1222 C LEU A 79 -6.221 -4.838 4.149 1.00 0.00 C ATOM 1223 O LEU A 79 -5.072 -5.000 4.556 1.00 0.00 O ATOM 1224 CB LEU A 79 -6.180 -3.916 1.824 1.00 0.00 C ATOM 1225 CG LEU A 79 -4.711 -3.854 1.403 1.00 0.00 C ATOM 1226 CD1 LEU A 79 -4.477 -4.694 0.157 1.00 0.00 C ATOM 1227 CD2 LEU A 79 -4.286 -2.412 1.164 1.00 0.00 C ATOM 0 H LEU A 79 -8.511 -4.701 1.985 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.029 -5.992 2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.795 -3.924 0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.421 -3.002 2.367 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.103 -4.262 2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.426 -4.638 -0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.742 -5.731 0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.094 -4.316 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.238 -2.386 0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.899 -1.978 0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.416 -1.838 2.081 1.00 0.00 H new ATOM 1239 N ASN A 80 -7.214 -4.425 4.929 1.00 0.00 N ATOM 1240 CA ASN A 80 -7.004 -4.131 6.342 1.00 0.00 C ATOM 1241 C ASN A 80 -6.843 -5.417 7.147 1.00 0.00 C ATOM 1242 O ASN A 80 -6.139 -5.445 8.157 1.00 0.00 O ATOM 1243 CB ASN A 80 -8.174 -3.314 6.894 1.00 0.00 C ATOM 1244 CG ASN A 80 -7.951 -2.883 8.332 1.00 0.00 C ATOM 1245 OD1 ASN A 80 -7.543 -3.683 9.174 1.00 0.00 O ATOM 1246 ND2 ASN A 80 -8.220 -1.615 8.617 1.00 0.00 N ATOM 0 H ASN A 80 -8.172 -4.286 4.607 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.087 -3.548 6.434 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.323 -2.431 6.272 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.088 -3.905 6.832 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.090 -1.267 9.567 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.556 -0.988 7.886 1.00 0.00 H new ATOM 1253 N ARG A 81 -7.499 -6.479 6.693 1.00 0.00 N ATOM 1254 CA ARG A 81 -7.429 -7.768 7.370 1.00 0.00 C ATOM 1255 C ARG A 81 -6.556 -8.746 6.590 1.00 0.00 C ATOM 1256 O ARG A 81 -6.420 -9.911 6.966 1.00 0.00 O ATOM 1257 CB ARG A 81 -8.832 -8.351 7.548 1.00 0.00 C ATOM 1258 CG ARG A 81 -9.613 -7.723 8.691 1.00 0.00 C ATOM 1259 CD ARG A 81 -10.988 -8.355 8.841 1.00 0.00 C ATOM 1260 NE ARG A 81 -11.858 -7.573 9.715 1.00 0.00 N ATOM 1261 CZ ARG A 81 -12.984 -8.041 10.240 1.00 0.00 C ATOM 1262 NH1 ARG A 81 -13.375 -9.282 9.982 1.00 0.00 N ATOM 1263 NH2 ARG A 81 -13.722 -7.268 11.027 1.00 0.00 N ATOM 0 H ARG A 81 -8.086 -6.472 5.859 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.981 -7.611 8.351 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -9.391 -8.219 6.622 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.751 -9.424 7.721 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.055 -7.838 9.620 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.721 -6.653 8.514 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -11.452 -8.451 7.859 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -10.882 -9.363 9.243 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.586 -6.615 9.934 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -12.810 -9.880 9.379 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -14.241 -9.639 10.387 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -13.424 -6.314 11.229 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -14.587 -7.628 11.430 1.00 0.00 H new ATOM 1277 N LYS A 82 -5.964 -8.265 5.502 1.00 0.00 N ATOM 1278 CA LYS A 82 -5.103 -9.094 4.668 1.00 0.00 C ATOM 1279 C LYS A 82 -3.680 -8.544 4.639 1.00 0.00 C ATOM 1280 O LYS A 82 -2.717 -9.295 4.483 1.00 0.00 O ATOM 1281 CB LYS A 82 -5.659 -9.174 3.245 1.00 0.00 C ATOM 1282 CG LYS A 82 -6.950 -9.967 3.140 1.00 0.00 C ATOM 1283 CD LYS A 82 -6.705 -11.457 3.313 1.00 0.00 C ATOM 1284 CE LYS A 82 -6.384 -12.127 1.986 1.00 0.00 C ATOM 1285 NZ LYS A 82 -4.941 -12.010 1.640 1.00 0.00 N ATOM 0 H LYS A 82 -6.065 -7.303 5.177 1.00 0.00 H new ATOM 0 HA LYS A 82 -5.078 -10.095 5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.832 -8.164 2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.910 -9.628 2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.652 -9.622 3.899 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.413 -9.784 2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.881 -11.613 4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -7.587 -11.923 3.753 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.662 -13.180 2.034 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.984 -11.675 1.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.656 -12.825 1.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.782 -11.132 1.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.375 -11.991 2.512 1.00 0.00 H new ATOM 1299 N VAL A 83 -3.556 -7.230 4.792 1.00 0.00 N ATOM 1300 CA VAL A 83 -2.251 -6.580 4.786 1.00 0.00 C ATOM 1301 C VAL A 83 -1.970 -5.898 6.121 1.00 0.00 C ATOM 1302 O VAL A 83 -1.177 -6.388 6.926 1.00 0.00 O ATOM 1303 CB VAL A 83 -2.148 -5.537 3.658 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -0.802 -4.831 3.703 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -2.370 -6.194 2.304 1.00 0.00 C ATOM 0 H VAL A 83 -4.343 -6.595 4.922 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.510 -7.361 4.617 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.927 -4.789 3.806 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.749 -4.098 2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.688 -4.326 4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.003 -5.563 3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.294 -5.443 1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.615 -6.964 2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.361 -6.647 2.278 1.00 0.00 H new ATOM 1315 N LEU A 84 -2.626 -4.765 6.349 1.00 0.00 N ATOM 1316 CA LEU A 84 -2.448 -4.015 7.588 1.00 0.00 C ATOM 1317 C LEU A 84 -2.259 -4.956 8.773 1.00 0.00 C ATOM 1318 O LEU A 84 -1.225 -4.932 9.441 1.00 0.00 O ATOM 1319 CB LEU A 84 -3.652 -3.104 7.832 1.00 0.00 C ATOM 1320 CG LEU A 84 -3.953 -2.080 6.737 1.00 0.00 C ATOM 1321 CD1 LEU A 84 -5.232 -1.320 7.053 1.00 0.00 C ATOM 1322 CD2 LEU A 84 -2.785 -1.117 6.573 1.00 0.00 C ATOM 0 H LEU A 84 -3.285 -4.346 5.693 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.551 -3.404 7.488 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.534 -3.730 7.968 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.493 -2.569 8.768 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.095 -2.613 5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.430 -0.596 6.263 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.064 -2.021 7.120 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.120 -0.798 8.003 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.016 -0.395 5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.612 -0.591 7.512 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.889 -1.675 6.300 1.00 0.00 H new ATOM 1334 N LYS A 85 -3.263 -5.788 9.027 1.00 0.00 N ATOM 1335 CA LYS A 85 -3.208 -6.741 10.129 1.00 0.00 C ATOM 1336 C LYS A 85 -1.793 -7.280 10.311 1.00 0.00 C ATOM 1337 O LYS A 85 -1.211 -7.171 11.391 1.00 0.00 O ATOM 1338 CB LYS A 85 -4.178 -7.898 9.879 1.00 0.00 C ATOM 1339 CG LYS A 85 -4.607 -8.617 11.146 1.00 0.00 C ATOM 1340 CD LYS A 85 -5.853 -7.991 11.748 1.00 0.00 C ATOM 1341 CE LYS A 85 -5.530 -6.694 12.474 1.00 0.00 C ATOM 1342 NZ LYS A 85 -6.471 -6.439 13.600 1.00 0.00 N ATOM 0 H LYS A 85 -4.126 -5.822 8.484 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.500 -6.221 11.041 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.063 -7.515 9.371 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.709 -8.615 9.205 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.798 -9.667 10.923 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.796 -8.588 11.874 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.581 -7.797 10.960 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.315 -8.693 12.443 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.510 -6.736 12.856 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.573 -5.863 11.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.217 -5.546 14.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.442 -6.374 13.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.412 -7.219 14.285 1.00 0.00 H new ATOM 1356 N ARG A 86 -1.244 -7.861 9.249 1.00 0.00 N ATOM 1357 CA ARG A 86 0.103 -8.416 9.292 1.00 0.00 C ATOM 1358 C ARG A 86 1.106 -7.373 9.774 1.00 0.00 C ATOM 1359 O ARG A 86 2.015 -7.680 10.546 1.00 0.00 O ATOM 1360 CB ARG A 86 0.510 -8.931 7.910 1.00 0.00 C ATOM 1361 CG ARG A 86 -0.215 -10.202 7.496 1.00 0.00 C ATOM 1362 CD ARG A 86 0.346 -11.421 8.211 1.00 0.00 C ATOM 1363 NE ARG A 86 1.540 -11.942 7.551 1.00 0.00 N ATOM 1364 CZ ARG A 86 2.114 -13.096 7.873 1.00 0.00 C ATOM 1365 NH1 ARG A 86 1.605 -13.845 8.841 1.00 0.00 N ATOM 1366 NH2 ARG A 86 3.199 -13.503 7.226 1.00 0.00 N ATOM 0 H ARG A 86 -1.712 -7.959 8.348 1.00 0.00 H new ATOM 0 HA ARG A 86 0.104 -9.248 9.997 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.315 -8.154 7.170 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.584 -9.116 7.902 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.278 -10.105 7.719 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.126 -10.338 6.418 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.587 -11.158 9.241 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.415 -12.200 8.251 1.00 0.00 H new ATOM 0 HE ARG A 86 1.956 -11.389 6.801 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.771 -13.536 9.340 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.047 -14.731 9.087 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.593 -12.929 6.480 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.639 -14.389 7.474 1.00 0.00 H new ATOM 1380 N LEU A 87 0.936 -6.139 9.312 1.00 0.00 N ATOM 1381 CA LEU A 87 1.826 -5.049 9.695 1.00 0.00 C ATOM 1382 C LEU A 87 1.363 -4.398 10.995 1.00 0.00 C ATOM 1383 O LEU A 87 1.587 -3.209 11.219 1.00 0.00 O ATOM 1384 CB LEU A 87 1.891 -4.002 8.582 1.00 0.00 C ATOM 1385 CG LEU A 87 2.492 -4.468 7.256 1.00 0.00 C ATOM 1386 CD1 LEU A 87 1.973 -3.619 6.106 1.00 0.00 C ATOM 1387 CD2 LEU A 87 4.012 -4.419 7.313 1.00 0.00 C ATOM 0 H LEU A 87 0.190 -5.868 8.671 1.00 0.00 H new ATOM 0 HA LEU A 87 2.821 -5.465 9.853 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.881 -3.639 8.392 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.472 -3.153 8.943 1.00 0.00 H new ATOM 0 HG LEU A 87 2.187 -5.500 7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.412 -3.966 5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.888 -3.705 6.051 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.247 -2.577 6.271 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.423 -4.754 6.361 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.336 -3.397 7.508 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.367 -5.071 8.111 1.00 0.00 H new ATOM 1399 N ASN A 88 0.718 -5.186 11.848 1.00 0.00 N ATOM 1400 CA ASN A 88 0.225 -4.687 13.127 1.00 0.00 C ATOM 1401 C ASN A 88 -0.363 -3.288 12.974 1.00 0.00 C ATOM 1402 O ASN A 88 -0.209 -2.439 13.852 1.00 0.00 O ATOM 1403 CB ASN A 88 1.353 -4.669 14.160 1.00 0.00 C ATOM 1404 CG ASN A 88 1.852 -6.061 14.496 1.00 0.00 C ATOM 1405 OD1 ASN A 88 1.633 -6.562 15.599 1.00 0.00 O ATOM 1406 ND2 ASN A 88 2.527 -6.693 13.543 1.00 0.00 N ATOM 0 H ASN A 88 0.524 -6.173 11.677 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.563 -5.357 13.472 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.181 -4.071 13.779 1.00 0.00 H new ATOM 0 HB3 ASN A 88 1.001 -4.183 15.070 1.00 0.00 H new ATOM 0 HD21 ASN A 88 2.887 -7.632 13.711 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.685 -6.239 12.643 1.00 0.00 H new ATOM 1413 N PHE A 89 -1.038 -3.054 11.853 1.00 0.00 N ATOM 1414 CA PHE A 89 -1.648 -1.757 11.585 1.00 0.00 C ATOM 1415 C PHE A 89 -3.171 -1.858 11.607 1.00 0.00 C ATOM 1416 O PHE A 89 -3.745 -2.846 11.149 1.00 0.00 O ATOM 1417 CB PHE A 89 -1.182 -1.221 10.230 1.00 0.00 C ATOM 1418 CG PHE A 89 -1.174 0.279 10.149 1.00 0.00 C ATOM 1419 CD1 PHE A 89 -2.324 0.973 9.806 1.00 0.00 C ATOM 1420 CD2 PHE A 89 -0.019 0.995 10.418 1.00 0.00 C ATOM 1421 CE1 PHE A 89 -2.319 2.353 9.731 1.00 0.00 C ATOM 1422 CE2 PHE A 89 -0.009 2.375 10.344 1.00 0.00 C ATOM 1423 CZ PHE A 89 -1.161 3.055 10.001 1.00 0.00 C ATOM 0 H PHE A 89 -1.176 -3.746 11.116 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.335 -1.067 12.369 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.178 -1.593 10.027 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.832 -1.616 9.449 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.233 0.430 9.595 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.884 0.469 10.689 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.221 2.882 9.461 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.899 2.921 10.554 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.156 4.133 9.944 1.00 0.00 H new ATOM 1433 N SER A 90 -3.818 -0.829 12.143 1.00 0.00 N ATOM 1434 CA SER A 90 -5.274 -0.803 12.230 1.00 0.00 C ATOM 1435 C SER A 90 -5.808 0.601 11.966 1.00 0.00 C ATOM 1436 O SER A 90 -5.157 1.597 12.284 1.00 0.00 O ATOM 1437 CB SER A 90 -5.732 -1.284 13.608 1.00 0.00 C ATOM 1438 OG SER A 90 -5.353 -0.368 14.621 1.00 0.00 O ATOM 0 H SER A 90 -3.358 -0.002 12.524 1.00 0.00 H new ATOM 0 HA SER A 90 -5.671 -1.474 11.468 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.815 -1.407 13.612 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.299 -2.262 13.817 1.00 0.00 H new ATOM 0 HG SER A 90 -5.659 -0.698 15.492 1.00 0.00 H new ATOM 1444 N VAL A 91 -7.000 0.674 11.380 1.00 0.00 N ATOM 1445 CA VAL A 91 -7.624 1.955 11.073 1.00 0.00 C ATOM 1446 C VAL A 91 -9.144 1.842 11.085 1.00 0.00 C ATOM 1447 O VAL A 91 -9.723 0.871 10.597 1.00 0.00 O ATOM 1448 CB VAL A 91 -7.170 2.486 9.700 1.00 0.00 C ATOM 1449 CG1 VAL A 91 -7.889 3.784 9.365 1.00 0.00 C ATOM 1450 CG2 VAL A 91 -5.662 2.680 9.677 1.00 0.00 C ATOM 0 H VAL A 91 -7.552 -0.140 11.109 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.308 2.655 11.847 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.430 1.749 8.940 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.555 4.144 8.392 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.964 3.608 9.338 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.663 4.532 10.125 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.358 3.055 8.700 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.376 3.397 10.446 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.170 1.727 9.868 1.00 0.00 H new ATOM 1460 N PRO A 92 -9.809 2.859 11.654 1.00 0.00 N ATOM 1461 CA PRO A 92 -11.271 2.898 11.742 1.00 0.00 C ATOM 1462 C PRO A 92 -11.929 3.102 10.381 1.00 0.00 C ATOM 1463 O PRO A 92 -11.267 3.466 9.410 1.00 0.00 O ATOM 1464 CB PRO A 92 -11.540 4.100 12.651 1.00 0.00 C ATOM 1465 CG PRO A 92 -10.345 4.975 12.485 1.00 0.00 C ATOM 1466 CD PRO A 92 -9.183 4.049 12.255 1.00 0.00 C ATOM 0 HA PRO A 92 -11.681 1.961 12.118 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.454 4.619 12.361 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -11.664 3.792 13.689 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -10.474 5.656 11.644 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -10.185 5.589 13.371 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.442 4.492 11.590 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.672 3.807 13.187 1.00 0.00 H new ATOM 1474 N ASP A 93 -13.235 2.865 10.319 1.00 0.00 N ATOM 1475 CA ASP A 93 -13.982 3.024 9.077 1.00 0.00 C ATOM 1476 C ASP A 93 -14.039 4.491 8.661 1.00 0.00 C ATOM 1477 O ASP A 93 -13.765 4.831 7.510 1.00 0.00 O ATOM 1478 CB ASP A 93 -15.399 2.471 9.236 1.00 0.00 C ATOM 1479 CG ASP A 93 -15.482 0.992 8.915 1.00 0.00 C ATOM 1480 OD1 ASP A 93 -15.036 0.178 9.750 1.00 0.00 O ATOM 1481 OD2 ASP A 93 -15.993 0.648 7.828 1.00 0.00 O ATOM 0 H ASP A 93 -13.798 2.562 11.114 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.466 2.464 8.297 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -15.738 2.638 10.258 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -16.076 3.020 8.582 1.00 0.00 H new ATOM 1486 N ASP A 94 -14.397 5.355 9.605 1.00 0.00 N ATOM 1487 CA ASP A 94 -14.490 6.785 9.337 1.00 0.00 C ATOM 1488 C ASP A 94 -13.303 7.260 8.504 1.00 0.00 C ATOM 1489 O ASP A 94 -13.462 8.044 7.568 1.00 0.00 O ATOM 1490 CB ASP A 94 -14.554 7.568 10.649 1.00 0.00 C ATOM 1491 CG ASP A 94 -13.729 6.927 11.747 1.00 0.00 C ATOM 1492 OD1 ASP A 94 -12.522 6.696 11.524 1.00 0.00 O ATOM 1493 OD2 ASP A 94 -14.290 6.655 12.829 1.00 0.00 O ATOM 0 H ASP A 94 -14.627 5.090 10.563 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.404 6.965 8.771 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -14.200 8.585 10.479 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -15.592 7.642 10.974 1.00 0.00 H new ATOM 1498 N VAL A 95 -12.113 6.781 8.852 1.00 0.00 N ATOM 1499 CA VAL A 95 -10.899 7.156 8.137 1.00 0.00 C ATOM 1500 C VAL A 95 -10.874 6.549 6.739 1.00 0.00 C ATOM 1501 O VAL A 95 -10.472 7.200 5.775 1.00 0.00 O ATOM 1502 CB VAL A 95 -9.637 6.711 8.900 1.00 0.00 C ATOM 1503 CG1 VAL A 95 -8.391 6.961 8.065 1.00 0.00 C ATOM 1504 CG2 VAL A 95 -9.545 7.427 10.239 1.00 0.00 C ATOM 0 H VAL A 95 -11.964 6.132 9.625 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.902 8.243 8.058 1.00 0.00 H new ATOM 0 HB VAL A 95 -9.707 5.640 9.090 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.510 6.640 8.621 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.458 6.398 7.134 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.311 8.025 7.840 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.648 7.101 10.765 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.498 8.503 10.074 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -10.424 7.190 10.839 1.00 0.00 H new ATOM 1514 N MET A 96 -11.308 5.297 6.636 1.00 0.00 N ATOM 1515 CA MET A 96 -11.337 4.601 5.355 1.00 0.00 C ATOM 1516 C MET A 96 -12.248 5.322 4.366 1.00 0.00 C ATOM 1517 O MET A 96 -11.835 5.653 3.255 1.00 0.00 O ATOM 1518 CB MET A 96 -11.810 3.159 5.544 1.00 0.00 C ATOM 1519 CG MET A 96 -10.833 2.296 6.326 1.00 0.00 C ATOM 1520 SD MET A 96 -10.934 0.552 5.880 1.00 0.00 S ATOM 1521 CE MET A 96 -11.390 -0.174 7.453 1.00 0.00 C ATOM 0 H MET A 96 -11.644 4.744 7.424 1.00 0.00 H new ATOM 0 HA MET A 96 -10.325 4.593 4.951 1.00 0.00 H new ATOM 0 HB2 MET A 96 -12.770 3.165 6.060 1.00 0.00 H new ATOM 0 HB3 MET A 96 -11.977 2.709 4.565 1.00 0.00 H new ATOM 0 HG2 MET A 96 -9.818 2.653 6.151 1.00 0.00 H new ATOM 0 HG3 MET A 96 -11.030 2.406 7.392 1.00 0.00 H new ATOM 0 HE1 MET A 96 -11.491 -1.253 7.340 1.00 0.00 H new ATOM 0 HE2 MET A 96 -10.618 0.043 8.191 1.00 0.00 H new ATOM 0 HE3 MET A 96 -12.339 0.246 7.786 1.00 0.00 H new ATOM 1531 N ARG A 97 -13.489 5.561 4.777 1.00 0.00 N ATOM 1532 CA ARG A 97 -14.459 6.241 3.926 1.00 0.00 C ATOM 1533 C ARG A 97 -13.819 7.429 3.216 1.00 0.00 C ATOM 1534 O ARG A 97 -13.904 7.556 1.994 1.00 0.00 O ATOM 1535 CB ARG A 97 -15.655 6.712 4.756 1.00 0.00 C ATOM 1536 CG ARG A 97 -16.717 5.644 4.954 1.00 0.00 C ATOM 1537 CD ARG A 97 -17.578 5.477 3.712 1.00 0.00 C ATOM 1538 NE ARG A 97 -18.617 6.500 3.624 1.00 0.00 N ATOM 1539 CZ ARG A 97 -19.789 6.413 4.243 1.00 0.00 C ATOM 1540 NH1 ARG A 97 -20.070 5.355 4.991 1.00 0.00 N ATOM 1541 NH2 ARG A 97 -20.683 7.385 4.114 1.00 0.00 N ATOM 0 H ARG A 97 -13.847 5.294 5.694 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.805 5.533 3.173 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -15.301 7.045 5.731 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -16.107 7.576 4.269 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -16.239 4.695 5.197 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -17.348 5.910 5.802 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -16.947 5.524 2.825 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -18.041 4.490 3.722 1.00 0.00 H new ATOM 0 HE ARG A 97 -18.432 7.327 3.056 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -19.385 4.606 5.092 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -20.971 5.290 5.465 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -20.471 8.200 3.539 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -21.583 7.317 4.590 1.00 0.00 H new ATOM 1555 N LYS A 98 -13.178 8.299 3.989 1.00 0.00 N ATOM 1556 CA LYS A 98 -12.522 9.478 3.435 1.00 0.00 C ATOM 1557 C LYS A 98 -11.537 9.087 2.338 1.00 0.00 C ATOM 1558 O LYS A 98 -11.503 9.704 1.273 1.00 0.00 O ATOM 1559 CB LYS A 98 -11.794 10.248 4.539 1.00 0.00 C ATOM 1560 CG LYS A 98 -12.729 10.958 5.503 1.00 0.00 C ATOM 1561 CD LYS A 98 -12.088 11.142 6.868 1.00 0.00 C ATOM 1562 CE LYS A 98 -12.939 12.022 7.770 1.00 0.00 C ATOM 1563 NZ LYS A 98 -12.857 13.458 7.383 1.00 0.00 N ATOM 0 H LYS A 98 -13.099 8.210 5.002 1.00 0.00 H new ATOM 0 HA LYS A 98 -13.288 10.119 2.999 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -11.165 9.556 5.099 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -11.131 10.982 4.082 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -13.004 11.931 5.095 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -13.650 10.384 5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -11.945 10.169 7.338 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -11.100 11.588 6.750 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -13.977 11.692 7.724 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.613 11.905 8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.368 14.035 8.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.860 13.753 7.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.286 13.590 6.445 1.00 0.00 H new ATOM 1577 N ILE A 99 -10.737 8.060 2.606 1.00 0.00 N ATOM 1578 CA ILE A 99 -9.753 7.587 1.640 1.00 0.00 C ATOM 1579 C ILE A 99 -10.407 7.271 0.299 1.00 0.00 C ATOM 1580 O ILE A 99 -10.009 7.802 -0.737 1.00 0.00 O ATOM 1581 CB ILE A 99 -9.023 6.331 2.151 1.00 0.00 C ATOM 1582 CG1 ILE A 99 -8.268 6.644 3.444 1.00 0.00 C ATOM 1583 CG2 ILE A 99 -8.069 5.804 1.089 1.00 0.00 C ATOM 1584 CD1 ILE A 99 -7.777 5.411 4.171 1.00 0.00 C ATOM 0 H ILE A 99 -10.751 7.540 3.483 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.028 8.390 1.507 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.763 5.559 2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.416 7.283 3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.920 7.212 4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.560 4.916 1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.630 5.547 0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.332 6.570 0.850 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.251 5.709 5.078 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -8.627 4.781 4.434 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.099 4.853 3.525 1.00 0.00 H new ATOM 1596 N ALA A 100 -11.414 6.404 0.327 1.00 0.00 N ATOM 1597 CA ALA A 100 -12.126 6.020 -0.885 1.00 0.00 C ATOM 1598 C ALA A 100 -12.799 7.226 -1.532 1.00 0.00 C ATOM 1599 O ALA A 100 -13.222 7.167 -2.686 1.00 0.00 O ATOM 1600 CB ALA A 100 -13.155 4.943 -0.575 1.00 0.00 C ATOM 0 H ALA A 100 -11.755 5.954 1.177 1.00 0.00 H new ATOM 0 HA ALA A 100 -11.399 5.620 -1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -13.679 4.666 -1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -12.652 4.067 -0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -13.872 5.323 0.153 1.00 0.00 H new ATOM 1606 N GLN A 101 -12.895 8.318 -0.780 1.00 0.00 N ATOM 1607 CA GLN A 101 -13.518 9.538 -1.281 1.00 0.00 C ATOM 1608 C GLN A 101 -12.469 10.501 -1.827 1.00 0.00 C ATOM 1609 O GLN A 101 -12.764 11.663 -2.105 1.00 0.00 O ATOM 1610 CB GLN A 101 -14.322 10.217 -0.171 1.00 0.00 C ATOM 1611 CG GLN A 101 -15.750 9.708 -0.055 1.00 0.00 C ATOM 1612 CD GLN A 101 -16.697 10.400 -1.015 1.00 0.00 C ATOM 1613 OE1 GLN A 101 -16.547 11.588 -1.305 1.00 0.00 O ATOM 1614 NE2 GLN A 101 -17.679 9.660 -1.515 1.00 0.00 N ATOM 0 H GLN A 101 -12.550 8.383 0.178 1.00 0.00 H new ATOM 0 HA GLN A 101 -14.191 9.265 -2.094 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -13.812 10.065 0.780 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -14.342 11.291 -0.353 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -15.766 8.635 -0.246 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -16.102 9.855 0.966 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -17.766 8.680 -1.247 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -18.347 10.072 -2.167 1.00 0.00 H new ATOM 1623 N CYS A 102 -11.244 10.009 -1.978 1.00 0.00 N ATOM 1624 CA CYS A 102 -10.150 10.827 -2.490 1.00 0.00 C ATOM 1625 C CYS A 102 -9.947 12.067 -1.626 1.00 0.00 C ATOM 1626 O CYS A 102 -9.954 13.192 -2.126 1.00 0.00 O ATOM 1627 CB CYS A 102 -10.427 11.238 -3.937 1.00 0.00 C ATOM 1628 SG CYS A 102 -10.802 9.855 -5.039 1.00 0.00 S ATOM 0 H CYS A 102 -10.984 9.049 -1.753 1.00 0.00 H new ATOM 0 HA CYS A 102 -9.238 10.231 -2.457 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -11.263 11.937 -3.951 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -9.559 11.772 -4.324 1.00 0.00 H new ATOM 0 HG CYS A 102 -11.023 10.304 -6.239 1.00 0.00 H new ATOM 1634 N ALA A 103 -9.769 11.854 -0.327 1.00 0.00 N ATOM 1635 CA ALA A 103 -9.564 12.954 0.607 1.00 0.00 C ATOM 1636 C ALA A 103 -8.082 13.279 0.756 1.00 0.00 C ATOM 1637 O ALA A 103 -7.261 12.417 1.073 1.00 0.00 O ATOM 1638 CB ALA A 103 -10.171 12.617 1.961 1.00 0.00 C ATOM 0 H ALA A 103 -9.763 10.929 0.103 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.064 13.836 0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.010 13.447 2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.241 12.442 1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.697 11.720 2.359 1.00 0.00 H new ATOM 1644 N PRO A 104 -7.727 14.551 0.523 1.00 0.00 N ATOM 1645 CA PRO A 104 -6.342 15.018 0.625 1.00 0.00 C ATOM 1646 C PRO A 104 -5.842 15.041 2.066 1.00 0.00 C ATOM 1647 O PRO A 104 -6.524 15.537 2.961 1.00 0.00 O ATOM 1648 CB PRO A 104 -6.404 16.439 0.058 1.00 0.00 C ATOM 1649 CG PRO A 104 -7.813 16.872 0.274 1.00 0.00 C ATOM 1650 CD PRO A 104 -8.652 15.631 0.141 1.00 0.00 C ATOM 0 HA PRO A 104 -5.651 14.362 0.095 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -5.704 17.100 0.569 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.143 16.455 -1.000 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.936 17.323 1.259 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.107 17.623 -0.459 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.524 15.663 0.795 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.021 15.503 -0.877 1.00 0.00 H new ATOM 1658 N GLY A 105 -4.647 14.501 2.282 1.00 0.00 N ATOM 1659 CA GLY A 105 -4.077 14.470 3.616 1.00 0.00 C ATOM 1660 C GLY A 105 -4.590 13.305 4.439 1.00 0.00 C ATOM 1661 O GLY A 105 -4.036 12.987 5.491 1.00 0.00 O ATOM 0 H GLY A 105 -4.063 14.084 1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.991 14.409 3.542 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.309 15.403 4.129 1.00 0.00 H new ATOM 1665 N VAL A 106 -5.654 12.668 3.960 1.00 0.00 N ATOM 1666 CA VAL A 106 -6.243 11.532 4.659 1.00 0.00 C ATOM 1667 C VAL A 106 -5.449 10.256 4.401 1.00 0.00 C ATOM 1668 O VAL A 106 -4.744 9.761 5.281 1.00 0.00 O ATOM 1669 CB VAL A 106 -7.706 11.308 4.234 1.00 0.00 C ATOM 1670 CG1 VAL A 106 -8.285 10.088 4.933 1.00 0.00 C ATOM 1671 CG2 VAL A 106 -8.541 12.546 4.526 1.00 0.00 C ATOM 0 H VAL A 106 -6.125 12.919 3.091 1.00 0.00 H new ATOM 0 HA VAL A 106 -6.214 11.766 5.723 1.00 0.00 H new ATOM 0 HB VAL A 106 -7.730 11.126 3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.319 9.946 4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.702 9.206 4.669 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -8.250 10.236 6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -9.572 12.370 4.219 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.512 12.761 5.594 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.138 13.395 3.974 1.00 0.00 H new ATOM 1681 N VAL A 107 -5.569 9.727 3.187 1.00 0.00 N ATOM 1682 CA VAL A 107 -4.862 8.509 2.811 1.00 0.00 C ATOM 1683 C VAL A 107 -3.383 8.599 3.171 1.00 0.00 C ATOM 1684 O VAL A 107 -2.778 7.617 3.600 1.00 0.00 O ATOM 1685 CB VAL A 107 -4.996 8.225 1.303 1.00 0.00 C ATOM 1686 CG1 VAL A 107 -4.598 9.448 0.492 1.00 0.00 C ATOM 1687 CG2 VAL A 107 -4.154 7.019 0.912 1.00 0.00 C ATOM 0 H VAL A 107 -6.149 10.123 2.448 1.00 0.00 H new ATOM 0 HA VAL A 107 -5.320 7.692 3.369 1.00 0.00 H new ATOM 0 HB VAL A 107 -6.039 7.998 1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.699 9.228 -0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.246 10.284 0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.563 9.709 0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.260 6.832 -0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.107 7.216 1.144 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.491 6.144 1.468 1.00 0.00 H new ATOM 1697 N GLU A 108 -2.807 9.784 2.993 1.00 0.00 N ATOM 1698 CA GLU A 108 -1.398 10.001 3.299 1.00 0.00 C ATOM 1699 C GLU A 108 -1.094 9.640 4.750 1.00 0.00 C ATOM 1700 O GLU A 108 -0.104 8.967 5.041 1.00 0.00 O ATOM 1701 CB GLU A 108 -1.015 11.458 3.034 1.00 0.00 C ATOM 1702 CG GLU A 108 -0.942 11.809 1.557 1.00 0.00 C ATOM 1703 CD GLU A 108 -0.473 13.231 1.318 1.00 0.00 C ATOM 1704 OE1 GLU A 108 0.732 13.499 1.513 1.00 0.00 O ATOM 1705 OE2 GLU A 108 -1.309 14.076 0.936 1.00 0.00 O ATOM 0 H GLU A 108 -3.294 10.607 2.639 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.808 9.353 2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.742 12.110 3.518 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -0.048 11.660 3.495 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.264 11.118 1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.925 11.674 1.106 1.00 0.00 H new ATOM 1712 N LEU A 109 -1.953 10.092 5.658 1.00 0.00 N ATOM 1713 CA LEU A 109 -1.777 9.818 7.080 1.00 0.00 C ATOM 1714 C LEU A 109 -1.505 8.336 7.320 1.00 0.00 C ATOM 1715 O LEU A 109 -0.903 7.960 8.325 1.00 0.00 O ATOM 1716 CB LEU A 109 -3.019 10.253 7.860 1.00 0.00 C ATOM 1717 CG LEU A 109 -3.192 11.759 8.061 1.00 0.00 C ATOM 1718 CD1 LEU A 109 -4.665 12.115 8.186 1.00 0.00 C ATOM 1719 CD2 LEU A 109 -2.423 12.225 9.289 1.00 0.00 C ATOM 0 H LEU A 109 -2.778 10.649 5.435 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.916 10.388 7.431 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.900 9.872 7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.993 9.776 8.840 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.788 12.271 7.188 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.769 13.191 8.329 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.190 11.817 7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.094 11.593 9.041 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.557 13.299 9.417 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.797 11.705 10.171 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.363 12.005 9.160 1.00 0.00 H new ATOM 1731 N VAL A 110 -1.951 7.500 6.388 1.00 0.00 N ATOM 1732 CA VAL A 110 -1.753 6.059 6.495 1.00 0.00 C ATOM 1733 C VAL A 110 -0.534 5.611 5.698 1.00 0.00 C ATOM 1734 O VAL A 110 0.058 4.568 5.980 1.00 0.00 O ATOM 1735 CB VAL A 110 -2.989 5.285 6.001 1.00 0.00 C ATOM 1736 CG1 VAL A 110 -2.889 3.817 6.389 1.00 0.00 C ATOM 1737 CG2 VAL A 110 -4.263 5.905 6.555 1.00 0.00 C ATOM 0 H VAL A 110 -2.452 7.796 5.550 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.594 5.839 7.551 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.025 5.348 4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.771 3.285 6.032 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.996 3.382 5.940 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.828 3.731 7.474 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.126 5.345 6.195 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.239 5.874 7.644 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.338 6.940 6.223 1.00 0.00 H new ATOM 1747 N LEU A 111 -0.161 6.406 4.700 1.00 0.00 N ATOM 1748 CA LEU A 111 0.989 6.092 3.861 1.00 0.00 C ATOM 1749 C LEU A 111 2.293 6.449 4.568 1.00 0.00 C ATOM 1750 O LEU A 111 3.260 5.688 4.529 1.00 0.00 O ATOM 1751 CB LEU A 111 0.895 6.842 2.531 1.00 0.00 C ATOM 1752 CG LEU A 111 -0.333 6.534 1.673 1.00 0.00 C ATOM 1753 CD1 LEU A 111 -0.331 7.387 0.414 1.00 0.00 C ATOM 1754 CD2 LEU A 111 -0.378 5.055 1.317 1.00 0.00 C ATOM 0 H LEU A 111 -0.639 7.273 4.453 1.00 0.00 H new ATOM 0 HA LEU A 111 0.984 5.019 3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.910 7.912 2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.787 6.618 1.947 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.226 6.775 2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.212 7.154 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.347 8.442 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.568 7.177 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -1.258 4.854 0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.519 4.788 0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.427 4.462 2.230 1.00 0.00 H new ATOM 1766 N ILE A 112 2.310 7.610 5.214 1.00 0.00 N ATOM 1767 CA ILE A 112 3.494 8.066 5.933 1.00 0.00 C ATOM 1768 C ILE A 112 4.127 6.928 6.727 1.00 0.00 C ATOM 1769 O ILE A 112 5.293 6.580 6.538 1.00 0.00 O ATOM 1770 CB ILE A 112 3.159 9.223 6.893 1.00 0.00 C ATOM 1771 CG1 ILE A 112 3.327 10.568 6.183 1.00 0.00 C ATOM 1772 CG2 ILE A 112 4.041 9.156 8.130 1.00 0.00 C ATOM 1773 CD1 ILE A 112 2.571 11.699 6.844 1.00 0.00 C ATOM 0 H ILE A 112 1.518 8.252 5.254 1.00 0.00 H new ATOM 0 HA ILE A 112 4.202 8.420 5.183 1.00 0.00 H new ATOM 0 HB ILE A 112 2.120 9.127 7.207 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.387 10.821 6.148 1.00 0.00 H new ATOM 0 HG13 ILE A 112 2.989 10.470 5.151 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.793 9.980 8.799 1.00 0.00 H new ATOM 0 HG22 ILE A 112 3.876 8.209 8.644 1.00 0.00 H new ATOM 0 HG23 ILE A 112 5.088 9.231 7.835 1.00 0.00 H new ATOM 0 HD11 ILE A 112 2.736 12.621 6.287 1.00 0.00 H new ATOM 0 HD12 ILE A 112 1.506 11.467 6.855 1.00 0.00 H new ATOM 0 HD13 ILE A 112 2.925 11.824 7.867 1.00 0.00 H new ATOM 1785 N PRO A 113 3.341 6.333 7.636 1.00 0.00 N ATOM 1786 CA PRO A 113 3.803 5.223 8.476 1.00 0.00 C ATOM 1787 C PRO A 113 4.017 3.942 7.678 1.00 0.00 C ATOM 1788 O PRO A 113 4.937 3.172 7.956 1.00 0.00 O ATOM 1789 CB PRO A 113 2.664 5.042 9.482 1.00 0.00 C ATOM 1790 CG PRO A 113 1.457 5.572 8.787 1.00 0.00 C ATOM 1791 CD PRO A 113 1.941 6.696 7.914 1.00 0.00 C ATOM 0 HA PRO A 113 4.768 5.435 8.937 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.537 3.994 9.752 1.00 0.00 H new ATOM 0 HB3 PRO A 113 2.861 5.587 10.405 1.00 0.00 H new ATOM 0 HG2 PRO A 113 0.977 4.795 8.192 1.00 0.00 H new ATOM 0 HG3 PRO A 113 0.718 5.926 9.505 1.00 0.00 H new ATOM 0 HD2 PRO A 113 1.356 6.773 6.997 1.00 0.00 H new ATOM 0 HD3 PRO A 113 1.868 7.658 8.421 1.00 0.00 H new ATOM 1799 N LEU A 114 3.163 3.719 6.685 1.00 0.00 N ATOM 1800 CA LEU A 114 3.259 2.530 5.845 1.00 0.00 C ATOM 1801 C LEU A 114 4.713 2.224 5.499 1.00 0.00 C ATOM 1802 O LEU A 114 5.247 1.184 5.883 1.00 0.00 O ATOM 1803 CB LEU A 114 2.447 2.721 4.563 1.00 0.00 C ATOM 1804 CG LEU A 114 2.019 1.441 3.844 1.00 0.00 C ATOM 1805 CD1 LEU A 114 0.749 0.879 4.465 1.00 0.00 C ATOM 1806 CD2 LEU A 114 1.816 1.706 2.359 1.00 0.00 C ATOM 0 H LEU A 114 2.396 4.346 6.442 1.00 0.00 H new ATOM 0 HA LEU A 114 2.852 1.687 6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 114 1.552 3.295 4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.035 3.324 3.871 1.00 0.00 H new ATOM 0 HG LEU A 114 2.812 0.702 3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.460 -0.032 3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.928 0.651 5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.052 1.614 4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.512 0.784 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.042 2.462 2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.749 2.062 1.922 1.00 0.00 H new ATOM 1818 N ARG A 115 5.348 3.139 4.773 1.00 0.00 N ATOM 1819 CA ARG A 115 6.741 2.967 4.377 1.00 0.00 C ATOM 1820 C ARG A 115 7.621 2.687 5.591 1.00 0.00 C ATOM 1821 O ARG A 115 8.466 1.792 5.563 1.00 0.00 O ATOM 1822 CB ARG A 115 7.242 4.214 3.646 1.00 0.00 C ATOM 1823 CG ARG A 115 8.709 4.141 3.253 1.00 0.00 C ATOM 1824 CD ARG A 115 9.616 4.531 4.409 1.00 0.00 C ATOM 1825 NE ARG A 115 10.950 4.912 3.954 1.00 0.00 N ATOM 1826 CZ ARG A 115 11.206 6.031 3.285 1.00 0.00 C ATOM 1827 NH1 ARG A 115 10.225 6.874 2.996 1.00 0.00 N ATOM 1828 NH2 ARG A 115 12.447 6.308 2.905 1.00 0.00 N ATOM 0 H ARG A 115 4.920 4.006 4.447 1.00 0.00 H new ATOM 0 HA ARG A 115 6.799 2.112 3.704 1.00 0.00 H new ATOM 0 HB2 ARG A 115 6.641 4.365 2.749 1.00 0.00 H new ATOM 0 HB3 ARG A 115 7.088 5.085 4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 115 8.949 3.129 2.926 1.00 0.00 H new ATOM 0 HG3 ARG A 115 8.893 4.802 2.406 1.00 0.00 H new ATOM 0 HD2 ARG A 115 9.169 5.361 4.956 1.00 0.00 H new ATOM 0 HD3 ARG A 115 9.695 3.696 5.105 1.00 0.00 H new ATOM 0 HE ARG A 115 11.728 4.285 4.161 1.00 0.00 H new ATOM 0 HH11 ARG A 115 9.270 6.665 3.287 1.00 0.00 H new ATOM 0 HH12 ARG A 115 10.425 7.732 2.482 1.00 0.00 H new ATOM 0 HH21 ARG A 115 13.204 5.662 3.127 1.00 0.00 H new ATOM 0 HH22 ARG A 115 12.643 7.167 2.391 1.00 0.00 H new ATOM 1842 N GLN A 116 7.418 3.459 6.654 1.00 0.00 N ATOM 1843 CA GLN A 116 8.194 3.294 7.877 1.00 0.00 C ATOM 1844 C GLN A 116 8.106 1.860 8.388 1.00 0.00 C ATOM 1845 O GLN A 116 9.073 1.323 8.931 1.00 0.00 O ATOM 1846 CB GLN A 116 7.702 4.263 8.953 1.00 0.00 C ATOM 1847 CG GLN A 116 8.183 5.691 8.752 1.00 0.00 C ATOM 1848 CD GLN A 116 8.340 6.443 10.059 1.00 0.00 C ATOM 1849 OE1 GLN A 116 7.481 6.369 10.938 1.00 0.00 O ATOM 1850 NE2 GLN A 116 9.441 7.173 10.194 1.00 0.00 N ATOM 0 H GLN A 116 6.723 4.205 6.693 1.00 0.00 H new ATOM 0 HA GLN A 116 9.237 3.515 7.649 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.612 4.254 8.967 1.00 0.00 H new ATOM 0 HB3 GLN A 116 8.036 3.910 9.928 1.00 0.00 H new ATOM 0 HG2 GLN A 116 9.138 5.678 8.228 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.476 6.222 8.114 1.00 0.00 H new ATOM 0 HE21 GLN A 116 10.127 7.206 9.440 1.00 0.00 H new ATOM 0 HE22 GLN A 116 9.601 7.701 11.052 1.00 0.00 H new ATOM 1859 N ARG A 117 6.942 1.244 8.212 1.00 0.00 N ATOM 1860 CA ARG A 117 6.727 -0.128 8.657 1.00 0.00 C ATOM 1861 C ARG A 117 7.417 -1.117 7.723 1.00 0.00 C ATOM 1862 O ARG A 117 8.179 -1.978 8.165 1.00 0.00 O ATOM 1863 CB ARG A 117 5.231 -0.435 8.728 1.00 0.00 C ATOM 1864 CG ARG A 117 4.561 0.084 9.990 1.00 0.00 C ATOM 1865 CD ARG A 117 4.853 -0.811 11.184 1.00 0.00 C ATOM 1866 NE ARG A 117 6.094 -0.437 11.858 1.00 0.00 N ATOM 1867 CZ ARG A 117 6.201 0.604 12.676 1.00 0.00 C ATOM 1868 NH1 ARG A 117 5.147 1.370 12.920 1.00 0.00 N ATOM 1869 NH2 ARG A 117 7.364 0.880 13.251 1.00 0.00 N ATOM 0 H ARG A 117 6.132 1.673 7.764 1.00 0.00 H new ATOM 0 HA ARG A 117 7.160 -0.233 9.652 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.738 0.001 7.859 1.00 0.00 H new ATOM 0 HB3 ARG A 117 5.087 -1.514 8.668 1.00 0.00 H new ATOM 0 HG2 ARG A 117 4.909 1.096 10.198 1.00 0.00 H new ATOM 0 HG3 ARG A 117 3.484 0.144 9.833 1.00 0.00 H new ATOM 0 HD2 ARG A 117 4.025 -0.754 11.891 1.00 0.00 H new ATOM 0 HD3 ARG A 117 4.918 -1.847 10.853 1.00 0.00 H new ATOM 0 HE ARG A 117 6.924 -1.006 11.691 1.00 0.00 H new ATOM 0 HH11 ARG A 117 4.251 1.161 12.479 1.00 0.00 H new ATOM 0 HH12 ARG A 117 5.232 2.169 13.549 1.00 0.00 H new ATOM 0 HH21 ARG A 117 8.177 0.293 13.065 1.00 0.00 H new ATOM 0 HH22 ARG A 117 7.445 1.680 13.879 1.00 0.00 H new ATOM 1883 N LEU A 118 7.145 -0.988 6.429 1.00 0.00 N ATOM 1884 CA LEU A 118 7.740 -1.871 5.431 1.00 0.00 C ATOM 1885 C LEU A 118 9.251 -1.962 5.615 1.00 0.00 C ATOM 1886 O LEU A 118 9.846 -3.023 5.425 1.00 0.00 O ATOM 1887 CB LEU A 118 7.415 -1.371 4.022 1.00 0.00 C ATOM 1888 CG LEU A 118 5.959 -1.515 3.577 1.00 0.00 C ATOM 1889 CD1 LEU A 118 5.690 -0.659 2.349 1.00 0.00 C ATOM 1890 CD2 LEU A 118 5.628 -2.973 3.297 1.00 0.00 C ATOM 0 H LEU A 118 6.517 -0.281 6.046 1.00 0.00 H new ATOM 0 HA LEU A 118 7.317 -2.867 5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 118 7.691 -0.318 3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 118 8.045 -1.908 3.313 1.00 0.00 H new ATOM 0 HG LEU A 118 5.316 -1.167 4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.649 -0.774 2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 118 5.886 0.387 2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 118 6.342 -0.976 1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.588 -3.056 2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.278 -3.348 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 118 5.781 -3.561 4.202 1.00 0.00 H new ATOM 1902 N GLU A 119 9.865 -0.844 5.988 1.00 0.00 N ATOM 1903 CA GLU A 119 11.307 -0.799 6.199 1.00 0.00 C ATOM 1904 C GLU A 119 11.738 -1.838 7.230 1.00 0.00 C ATOM 1905 O GLU A 119 12.634 -2.643 6.977 1.00 0.00 O ATOM 1906 CB GLU A 119 11.735 0.597 6.656 1.00 0.00 C ATOM 1907 CG GLU A 119 11.771 1.621 5.533 1.00 0.00 C ATOM 1908 CD GLU A 119 12.743 2.752 5.806 1.00 0.00 C ATOM 1909 OE1 GLU A 119 12.685 3.330 6.912 1.00 0.00 O ATOM 1910 OE2 GLU A 119 13.561 3.060 4.914 1.00 0.00 O ATOM 0 H GLU A 119 9.387 0.042 6.150 1.00 0.00 H new ATOM 0 HA GLU A 119 11.794 -1.028 5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.050 0.943 7.430 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.724 0.534 7.111 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.048 1.125 4.603 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.772 2.032 5.389 1.00 0.00 H new ATOM 1917 N GLU A 120 11.095 -1.812 8.393 1.00 0.00 N ATOM 1918 CA GLU A 120 11.413 -2.750 9.463 1.00 0.00 C ATOM 1919 C GLU A 120 11.174 -4.189 9.013 1.00 0.00 C ATOM 1920 O GLU A 120 12.009 -5.066 9.236 1.00 0.00 O ATOM 1921 CB GLU A 120 10.572 -2.446 10.704 1.00 0.00 C ATOM 1922 CG GLU A 120 11.091 -3.111 11.968 1.00 0.00 C ATOM 1923 CD GLU A 120 12.193 -2.312 12.637 1.00 0.00 C ATOM 1924 OE1 GLU A 120 13.314 -2.274 12.087 1.00 0.00 O ATOM 1925 OE2 GLU A 120 11.935 -1.726 13.709 1.00 0.00 O ATOM 0 H GLU A 120 10.351 -1.152 8.618 1.00 0.00 H new ATOM 0 HA GLU A 120 12.468 -2.635 9.711 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.542 -1.367 10.857 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.547 -2.771 10.527 1.00 0.00 H new ATOM 0 HG2 GLU A 120 10.267 -3.244 12.669 1.00 0.00 H new ATOM 0 HG3 GLU A 120 11.465 -4.105 11.724 1.00 0.00 H new ATOM 1932 N ARG A 121 10.030 -4.423 8.380 1.00 0.00 N ATOM 1933 CA ARG A 121 9.680 -5.754 7.900 1.00 0.00 C ATOM 1934 C ARG A 121 10.798 -6.333 7.038 1.00 0.00 C ATOM 1935 O ARG A 121 11.109 -7.520 7.123 1.00 0.00 O ATOM 1936 CB ARG A 121 8.377 -5.705 7.100 1.00 0.00 C ATOM 1937 CG ARG A 121 7.134 -5.585 7.966 1.00 0.00 C ATOM 1938 CD ARG A 121 6.648 -6.947 8.436 1.00 0.00 C ATOM 1939 NE ARG A 121 6.063 -7.725 7.347 1.00 0.00 N ATOM 1940 CZ ARG A 121 5.368 -8.842 7.532 1.00 0.00 C ATOM 1941 NH1 ARG A 121 5.172 -9.309 8.758 1.00 0.00 N ATOM 1942 NH2 ARG A 121 4.866 -9.493 6.491 1.00 0.00 N ATOM 0 H ARG A 121 9.329 -3.708 8.187 1.00 0.00 H new ATOM 0 HA ARG A 121 9.542 -6.400 8.767 1.00 0.00 H new ATOM 0 HB2 ARG A 121 8.414 -4.859 6.413 1.00 0.00 H new ATOM 0 HB3 ARG A 121 8.300 -6.606 6.492 1.00 0.00 H new ATOM 0 HG2 ARG A 121 7.351 -4.957 8.830 1.00 0.00 H new ATOM 0 HG3 ARG A 121 6.343 -5.090 7.402 1.00 0.00 H new ATOM 0 HD2 ARG A 121 7.482 -7.500 8.869 1.00 0.00 H new ATOM 0 HD3 ARG A 121 5.908 -6.815 9.226 1.00 0.00 H new ATOM 0 HE ARG A 121 6.195 -7.392 6.392 1.00 0.00 H new ATOM 0 HH11 ARG A 121 5.555 -8.810 9.561 1.00 0.00 H new ATOM 0 HH12 ARG A 121 4.638 -10.167 8.898 1.00 0.00 H new ATOM 0 HH21 ARG A 121 5.013 -9.136 5.547 1.00 0.00 H new ATOM 0 HH22 ARG A 121 4.333 -10.350 6.635 1.00 0.00 H new ATOM 1956 N GLN A 122 11.398 -5.485 6.208 1.00 0.00 N ATOM 1957 CA GLN A 122 12.480 -5.913 5.330 1.00 0.00 C ATOM 1958 C GLN A 122 13.685 -6.380 6.139 1.00 0.00 C ATOM 1959 O GLN A 122 13.950 -7.578 6.241 1.00 0.00 O ATOM 1960 CB GLN A 122 12.888 -4.772 4.396 1.00 0.00 C ATOM 1961 CG GLN A 122 14.134 -5.072 3.578 1.00 0.00 C ATOM 1962 CD GLN A 122 14.424 -4.003 2.543 1.00 0.00 C ATOM 1963 OE1 GLN A 122 13.517 -3.316 2.072 1.00 0.00 O ATOM 1964 NE2 GLN A 122 15.694 -3.856 2.183 1.00 0.00 N ATOM 0 H GLN A 122 11.153 -4.498 6.126 1.00 0.00 H new ATOM 0 HA GLN A 122 12.120 -6.751 4.733 1.00 0.00 H new ATOM 0 HB2 GLN A 122 12.062 -4.555 3.719 1.00 0.00 H new ATOM 0 HB3 GLN A 122 13.060 -3.873 4.988 1.00 0.00 H new ATOM 0 HG2 GLN A 122 14.989 -5.166 4.247 1.00 0.00 H new ATOM 0 HG3 GLN A 122 14.013 -6.033 3.078 1.00 0.00 H new ATOM 0 HE21 GLN A 122 16.414 -4.447 2.599 1.00 0.00 H new ATOM 0 HE22 GLN A 122 15.950 -3.152 1.491 1.00 0.00 H new