USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 827 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 100 GLN : amide:sc= -0.0442 X(o=0.28,f=0.3) USER MOD Set 1.2: A 102 TYR OH : rot 109:sc= 0.323 USER MOD Set 2.1: A 37 SER OG : rot -108:sc= 1.17 USER MOD Set 2.2: A 42 ASN : amide:sc= -0.0163 K(o=1.2,f=-1.1!) USER MOD Set 3.1: A 27 GLN : amide:sc= 0.08 K(o=1.3,f=-7.6) USER MOD Set 3.2: A 31 LYS NZ :NH3+ 167:sc= 1.18 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -153:sc= -0.187 (180deg=-0.543) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 17:sc= -1.09 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -1.38 K(o=-1.4,f=-3.8) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -61:sc= 0.669 USER MOD Single : A 61 THR OG1 : rot 80:sc= -0.909! USER MOD Single : A 64 THR OG1 : rot 64:sc= 0.878 USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 68 THR OG1 : rot -22:sc= 0.98 USER MOD Single : A 69 MET CE :methyl 159:sc= -0.0249 (180deg=-0.352) USER MOD Single : A 72 ASN : amide:sc= -0.289 K(o=-0.29,f=-6.2!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -143:sc= 1.09 (180deg=0.016) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.427 X(o=-0.43,f=-0.11) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.278 K(o=-0.28,f=-0.99!) USER MOD Single : A 101 THR OG1 : rot 78:sc= 0.402 USER MOD Single : A 103 THR OG1 : rot -140:sc= 0 USER MOD Single : A 104 TYR OH : rot 62:sc= 0.446 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -175:sc= -0.718 (180deg=-0.791) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N PHE A 2 11.236 -11.600 5.226 1.00 0.00 N ATOM 14 CA PHE A 2 10.730 -10.223 5.198 1.00 0.00 C ATOM 15 C PHE A 2 11.032 -9.636 6.610 1.00 0.00 C ATOM 16 O PHE A 2 11.094 -8.410 6.704 1.00 0.00 O ATOM 17 CB PHE A 2 9.235 -10.136 5.020 1.00 0.00 C ATOM 18 CG PHE A 2 8.772 -9.956 3.598 1.00 0.00 C ATOM 19 CD1 PHE A 2 9.404 -10.476 2.493 1.00 0.00 C ATOM 20 CD2 PHE A 2 7.621 -9.202 3.435 1.00 0.00 C ATOM 21 CE1 PHE A 2 8.843 -10.207 1.270 1.00 0.00 C ATOM 22 CE2 PHE A 2 7.167 -9.009 2.151 1.00 0.00 C ATOM 23 CZ PHE A 2 7.706 -9.455 1.164 1.00 0.00 C ATOM 0 HA PHE A 2 11.198 -9.701 4.363 1.00 0.00 H new ATOM 0 HB2 PHE A 2 8.783 -11.043 5.421 1.00 0.00 H new ATOM 0 HB3 PHE A 2 8.861 -9.303 5.616 1.00 0.00 H new ATOM 0 HD1 PHE A 2 10.302 -11.070 2.584 1.00 0.00 H new ATOM 0 HD2 PHE A 2 7.101 -8.782 4.283 1.00 0.00 H new ATOM 0 HE1 PHE A 2 9.307 -10.596 0.376 1.00 0.00 H new ATOM 0 HE2 PHE A 2 6.271 -8.421 2.015 1.00 0.00 H new ATOM 0 HZ PHE A 2 7.285 -9.257 0.189 1.00 0.00 H new ATOM 33 N ASP A 3 11.183 -10.580 7.564 1.00 0.00 N ATOM 34 CA ASP A 3 11.464 -10.153 8.896 1.00 0.00 C ATOM 35 C ASP A 3 12.447 -8.997 9.028 1.00 0.00 C ATOM 36 O ASP A 3 13.660 -9.244 8.983 1.00 0.00 O ATOM 37 CB ASP A 3 12.147 -11.330 9.646 1.00 0.00 C ATOM 38 CG ASP A 3 12.909 -12.254 8.715 1.00 0.00 C ATOM 39 OD1 ASP A 3 12.336 -13.211 8.179 1.00 0.00 O ATOM 40 OD2 ASP A 3 14.096 -12.054 8.494 1.00 0.00 O ATOM 0 H ASP A 3 11.114 -11.588 7.421 1.00 0.00 H new ATOM 0 HA ASP A 3 10.501 -9.830 9.291 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.831 -10.930 10.395 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.389 -11.903 10.180 1.00 0.00 H new ATOM 45 N GLY A 4 11.889 -7.789 9.179 1.00 0.00 N ATOM 46 CA GLY A 4 12.855 -6.688 9.305 1.00 0.00 C ATOM 47 C GLY A 4 12.086 -5.429 9.018 1.00 0.00 C ATOM 48 O GLY A 4 11.236 -5.497 8.141 1.00 0.00 O ATOM 0 H GLY A 4 10.896 -7.560 9.215 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.288 -6.661 10.305 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.680 -6.810 8.603 1.00 0.00 H new ATOM 52 N THR A 5 12.337 -4.291 9.698 1.00 0.00 N ATOM 53 CA THR A 5 11.526 -3.147 9.325 1.00 0.00 C ATOM 54 C THR A 5 11.917 -2.750 7.912 1.00 0.00 C ATOM 55 O THR A 5 12.970 -3.222 7.490 1.00 0.00 O ATOM 56 CB THR A 5 12.018 -1.951 10.181 1.00 0.00 C ATOM 57 OG1 THR A 5 13.363 -1.716 10.015 1.00 0.00 O ATOM 58 CG2 THR A 5 11.725 -2.082 11.682 1.00 0.00 C ATOM 0 H THR A 5 13.028 -4.155 10.436 1.00 0.00 H new ATOM 0 HA THR A 5 10.466 -3.375 9.438 1.00 0.00 H new ATOM 0 HB THR A 5 11.440 -1.107 9.805 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.633 -0.954 10.569 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.103 -1.203 12.204 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.649 -2.162 11.837 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.215 -2.974 12.072 1.00 0.00 H new ATOM 66 N TRP A 6 11.072 -1.940 7.275 1.00 0.00 N ATOM 67 CA TRP A 6 11.220 -1.442 5.963 1.00 0.00 C ATOM 68 C TRP A 6 10.770 0.021 5.805 1.00 0.00 C ATOM 69 O TRP A 6 9.722 0.310 6.323 1.00 0.00 O ATOM 70 CB TRP A 6 10.348 -2.160 4.884 1.00 0.00 C ATOM 71 CG TRP A 6 10.618 -3.601 4.700 1.00 0.00 C ATOM 72 CD1 TRP A 6 10.125 -4.617 5.556 1.00 0.00 C ATOM 73 CD2 TRP A 6 11.346 -4.430 3.762 1.00 0.00 C ATOM 74 NE1 TRP A 6 10.518 -5.786 5.158 1.00 0.00 N ATOM 75 CE2 TRP A 6 11.301 -5.792 4.031 1.00 0.00 C ATOM 76 CE3 TRP A 6 12.088 -4.111 2.638 1.00 0.00 C ATOM 77 CZ2 TRP A 6 11.890 -6.775 3.325 1.00 0.00 C ATOM 78 CZ3 TRP A 6 12.703 -5.106 1.900 1.00 0.00 C ATOM 79 CH2 TRP A 6 12.625 -6.449 2.212 1.00 0.00 C ATOM 0 H TRP A 6 10.215 -1.608 7.718 1.00 0.00 H new ATOM 0 HA TRP A 6 12.288 -1.596 5.811 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.298 -2.037 5.150 1.00 0.00 H new ATOM 0 HB3 TRP A 6 10.496 -1.656 3.929 1.00 0.00 H new ATOM 0 HD1 TRP A 6 9.505 -4.441 6.423 1.00 0.00 H new ATOM 0 HE1 TRP A 6 10.263 -6.643 5.649 1.00 0.00 H new ATOM 0 HE3 TRP A 6 12.187 -3.079 2.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 11.786 -7.806 3.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 13.276 -4.817 1.032 1.00 0.00 H new ATOM 0 HH2 TRP A 6 13.116 -7.202 1.613 1.00 0.00 H new ATOM 90 N LYS A 7 11.533 0.853 5.123 1.00 0.00 N ATOM 91 CA LYS A 7 11.228 2.206 4.808 1.00 0.00 C ATOM 92 C LYS A 7 10.977 3.186 5.978 1.00 0.00 C ATOM 93 O LYS A 7 10.977 2.772 7.116 1.00 0.00 O ATOM 94 CB LYS A 7 9.889 2.262 3.988 1.00 0.00 C ATOM 95 CG LYS A 7 10.092 1.301 2.861 1.00 0.00 C ATOM 96 CD LYS A 7 8.786 1.055 2.044 1.00 0.00 C ATOM 97 CE LYS A 7 7.576 0.850 2.912 1.00 0.00 C ATOM 98 NZ LYS A 7 6.342 0.638 2.130 1.00 0.00 N ATOM 0 H LYS A 7 12.441 0.567 4.756 1.00 0.00 H new ATOM 0 HA LYS A 7 12.133 2.525 4.292 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.036 1.976 4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.693 3.269 3.619 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.866 1.684 2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.453 0.352 3.257 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.612 1.905 1.384 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.922 0.180 1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.742 -0.010 3.562 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.447 1.718 3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.521 0.950 2.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.392 1.186 1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.243 -0.372 1.904 1.00 0.00 H new ATOM 112 N VAL A 8 10.763 4.364 5.406 1.00 0.00 N ATOM 113 CA VAL A 8 10.381 5.593 6.046 1.00 0.00 C ATOM 114 C VAL A 8 10.533 5.769 7.510 1.00 0.00 C ATOM 115 O VAL A 8 9.838 5.420 8.437 1.00 0.00 O ATOM 116 CB VAL A 8 8.879 5.651 5.607 1.00 0.00 C ATOM 117 CG1 VAL A 8 7.897 6.233 6.590 1.00 0.00 C ATOM 118 CG2 VAL A 8 8.735 6.563 4.383 1.00 0.00 C ATOM 0 H VAL A 8 10.864 4.482 4.398 1.00 0.00 H new ATOM 0 HA VAL A 8 11.057 6.393 5.746 1.00 0.00 H new ATOM 0 HB VAL A 8 8.641 4.598 5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.896 6.213 6.159 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.909 5.645 7.508 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.174 7.263 6.815 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.689 6.602 4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.077 7.567 4.635 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.336 6.170 3.563 1.00 0.00 H new ATOM 300 N LEU A 21 4.377 5.448 7.065 1.00 0.00 N ATOM 301 CA LEU A 21 3.958 4.086 6.792 1.00 0.00 C ATOM 302 C LEU A 21 5.054 3.162 7.403 1.00 0.00 C ATOM 303 O LEU A 21 4.911 2.963 8.596 1.00 0.00 O ATOM 304 CB LEU A 21 3.638 3.803 5.329 1.00 0.00 C ATOM 305 CG LEU A 21 4.219 4.697 4.246 1.00 0.00 C ATOM 306 CD1 LEU A 21 3.386 5.997 4.125 1.00 0.00 C ATOM 307 CD2 LEU A 21 5.654 5.185 4.446 1.00 0.00 C ATOM 0 HA LEU A 21 2.994 3.889 7.260 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.959 2.783 5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.553 3.825 5.222 1.00 0.00 H new ATOM 0 HG LEU A 21 4.198 4.046 3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.811 6.630 3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.357 5.747 3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.403 6.530 5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.946 5.812 3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.717 5.763 5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.324 4.328 4.509 1.00 0.00 H new ATOM 319 N LYS A 22 5.916 2.766 6.492 1.00 0.00 N ATOM 320 CA LYS A 22 7.044 1.889 6.658 1.00 0.00 C ATOM 321 C LYS A 22 6.365 0.482 6.556 1.00 0.00 C ATOM 322 O LYS A 22 5.199 0.428 6.827 1.00 0.00 O ATOM 323 CB LYS A 22 7.607 1.791 8.093 1.00 0.00 C ATOM 324 CG LYS A 22 7.726 3.101 8.892 1.00 0.00 C ATOM 325 CD LYS A 22 7.487 2.990 10.365 1.00 0.00 C ATOM 326 CE LYS A 22 8.614 3.666 11.194 1.00 0.00 C ATOM 327 NZ LYS A 22 8.202 4.883 11.849 1.00 0.00 N ATOM 0 H LYS A 22 5.832 3.083 5.526 1.00 0.00 H new ATOM 0 HA LYS A 22 7.827 2.212 5.972 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.974 1.107 8.658 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.597 1.338 8.038 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.724 3.511 8.735 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.018 3.820 8.481 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.530 3.450 10.612 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.416 1.938 10.642 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.972 2.962 11.946 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.455 3.885 10.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.003 5.278 12.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.887 5.572 11.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.419 4.678 12.502 1.00 0.00 H new ATOM 341 N LEU A 23 7.232 -0.443 6.176 1.00 0.00 N ATOM 342 CA LEU A 23 6.733 -1.800 6.054 1.00 0.00 C ATOM 343 C LEU A 23 7.612 -2.483 7.112 1.00 0.00 C ATOM 344 O LEU A 23 8.474 -1.722 7.582 1.00 0.00 O ATOM 345 CB LEU A 23 6.819 -2.329 4.666 1.00 0.00 C ATOM 346 CG LEU A 23 5.564 -2.247 3.761 1.00 0.00 C ATOM 347 CD1 LEU A 23 5.928 -3.074 2.502 1.00 0.00 C ATOM 348 CD2 LEU A 23 4.336 -2.945 4.287 1.00 0.00 C ATOM 0 H LEU A 23 8.218 -0.296 5.960 1.00 0.00 H new ATOM 0 HA LEU A 23 5.667 -1.948 6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.627 -1.800 4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.114 -3.377 4.729 1.00 0.00 H new ATOM 0 HG LEU A 23 5.332 -1.189 3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.089 -3.067 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.802 -2.637 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.149 -4.101 2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.517 -2.826 3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.549 -4.006 4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.052 -2.509 5.245 1.00 0.00 H new ATOM 360 N THR A 24 7.402 -3.738 7.418 1.00 0.00 N ATOM 361 CA THR A 24 8.186 -4.481 8.418 1.00 0.00 C ATOM 362 C THR A 24 8.082 -5.969 8.083 1.00 0.00 C ATOM 363 O THR A 24 8.907 -6.633 7.523 1.00 0.00 O ATOM 364 CB THR A 24 7.793 -4.175 9.859 1.00 0.00 C ATOM 365 OG1 THR A 24 8.309 -2.902 10.244 1.00 0.00 O ATOM 366 CG2 THR A 24 8.161 -5.208 10.909 1.00 0.00 C ATOM 0 H THR A 24 6.671 -4.298 6.980 1.00 0.00 H new ATOM 0 HA THR A 24 9.225 -4.157 8.362 1.00 0.00 H new ATOM 0 HB THR A 24 6.703 -4.189 9.838 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.556 -2.393 9.444 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.825 -4.867 11.888 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.680 -6.157 10.670 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.243 -5.343 10.923 1.00 0.00 H new ATOM 374 N ILE A 25 6.923 -6.435 8.511 1.00 0.00 N ATOM 375 CA ILE A 25 6.608 -7.830 8.297 1.00 0.00 C ATOM 376 C ILE A 25 7.541 -8.798 8.978 1.00 0.00 C ATOM 377 O ILE A 25 8.629 -9.095 8.501 1.00 0.00 O ATOM 378 CB ILE A 25 6.545 -8.055 6.769 1.00 0.00 C ATOM 379 CG1 ILE A 25 5.886 -6.908 6.018 1.00 0.00 C ATOM 380 CG2 ILE A 25 5.780 -9.351 6.506 1.00 0.00 C ATOM 381 CD1 ILE A 25 6.899 -6.082 5.199 1.00 0.00 C ATOM 0 H ILE A 25 6.208 -5.889 8.992 1.00 0.00 H new ATOM 0 HA ILE A 25 5.647 -8.043 8.766 1.00 0.00 H new ATOM 0 HB ILE A 25 7.569 -8.114 6.399 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.122 -7.306 5.350 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.380 -6.255 6.729 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.724 -9.529 5.432 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.297 -10.182 6.985 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.772 -9.268 6.913 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.378 -5.276 4.682 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.649 -5.659 5.868 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.387 -6.726 4.468 1.00 0.00 H new ATOM 393 N THR A 26 7.066 -9.298 10.132 1.00 0.00 N ATOM 394 CA THR A 26 7.923 -10.231 10.824 1.00 0.00 C ATOM 395 C THR A 26 7.010 -11.262 11.497 1.00 0.00 C ATOM 396 O THR A 26 6.746 -11.220 12.675 1.00 0.00 O ATOM 397 CB THR A 26 8.827 -9.597 11.876 1.00 0.00 C ATOM 398 OG1 THR A 26 9.675 -8.573 11.431 1.00 0.00 O ATOM 399 CG2 THR A 26 9.706 -10.704 12.471 1.00 0.00 C ATOM 0 H THR A 26 6.167 -9.086 10.565 1.00 0.00 H new ATOM 0 HA THR A 26 8.598 -10.671 10.090 1.00 0.00 H new ATOM 0 HB THR A 26 8.151 -9.127 12.591 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.206 -8.238 12.183 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.364 -10.278 13.228 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.073 -11.465 12.927 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.306 -11.156 11.681 1.00 0.00 H new ATOM 407 N GLN A 27 6.569 -12.181 10.598 1.00 0.00 N ATOM 408 CA GLN A 27 5.693 -13.196 11.166 1.00 0.00 C ATOM 409 C GLN A 27 6.512 -14.387 11.622 1.00 0.00 C ATOM 410 O GLN A 27 7.251 -14.197 12.587 1.00 0.00 O ATOM 411 CB GLN A 27 4.519 -13.531 10.204 1.00 0.00 C ATOM 412 CG GLN A 27 3.295 -12.682 10.498 1.00 0.00 C ATOM 413 CD GLN A 27 2.805 -12.687 11.953 1.00 0.00 C ATOM 414 OE1 GLN A 27 2.238 -13.682 12.404 1.00 0.00 O ATOM 415 NE2 GLN A 27 3.094 -11.530 12.558 1.00 0.00 N ATOM 0 H GLN A 27 6.780 -12.233 9.601 1.00 0.00 H new ATOM 0 HA GLN A 27 5.204 -12.811 12.061 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.835 -13.370 9.173 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.261 -14.586 10.297 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.514 -11.653 10.213 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.480 -13.023 9.860 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.574 -10.791 12.044 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.835 -11.386 13.534 1.00 0.00 H new ATOM 424 N GLU A 28 6.351 -15.522 10.934 1.00 0.00 N ATOM 425 CA GLU A 28 7.153 -16.685 11.375 1.00 0.00 C ATOM 426 C GLU A 28 7.934 -17.032 10.098 1.00 0.00 C ATOM 427 O GLU A 28 8.643 -18.033 10.166 1.00 0.00 O ATOM 428 CB GLU A 28 6.176 -17.741 11.829 1.00 0.00 C ATOM 429 CG GLU A 28 5.452 -18.520 10.722 1.00 0.00 C ATOM 430 CD GLU A 28 4.464 -19.493 11.342 1.00 0.00 C ATOM 431 OE1 GLU A 28 4.749 -19.940 12.452 1.00 0.00 O ATOM 432 OE2 GLU A 28 3.460 -19.749 10.657 1.00 0.00 O ATOM 0 H GLU A 28 5.731 -15.666 10.137 1.00 0.00 H new ATOM 0 HA GLU A 28 7.840 -16.544 12.210 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.711 -18.455 12.456 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.425 -17.264 12.459 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.930 -17.829 10.060 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.175 -19.061 10.112 1.00 0.00 H new ATOM 439 N GLY A 29 7.780 -16.231 9.026 1.00 0.00 N ATOM 440 CA GLY A 29 8.538 -16.602 7.836 1.00 0.00 C ATOM 441 C GLY A 29 7.484 -17.274 6.902 1.00 0.00 C ATOM 442 O GLY A 29 7.788 -17.407 5.729 1.00 0.00 O ATOM 0 H GLY A 29 7.193 -15.399 8.963 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.989 -15.729 7.364 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.349 -17.288 8.079 1.00 0.00 H new ATOM 446 N ASN A 30 6.375 -17.610 7.564 1.00 0.00 N ATOM 447 CA ASN A 30 5.280 -18.249 6.891 1.00 0.00 C ATOM 448 C ASN A 30 4.044 -17.332 6.917 1.00 0.00 C ATOM 449 O ASN A 30 3.404 -17.380 5.847 1.00 0.00 O ATOM 450 CB ASN A 30 4.775 -19.546 7.520 1.00 0.00 C ATOM 451 CG ASN A 30 5.884 -20.429 8.031 1.00 0.00 C ATOM 452 OD1 ASN A 30 7.044 -20.287 7.660 1.00 0.00 O ATOM 453 ND2 ASN A 30 5.522 -21.360 8.910 1.00 0.00 N ATOM 0 H ASN A 30 6.227 -17.445 8.560 1.00 0.00 H new ATOM 0 HA ASN A 30 5.688 -18.460 5.903 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.102 -19.305 8.343 1.00 0.00 H new ATOM 0 HB3 ASN A 30 4.191 -20.097 6.782 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.221 -21.990 9.303 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.545 -21.443 9.191 1.00 0.00 H new ATOM 460 N LYS A 31 3.782 -16.614 7.995 1.00 0.00 N ATOM 461 CA LYS A 31 2.592 -15.765 7.900 1.00 0.00 C ATOM 462 C LYS A 31 3.314 -14.415 7.652 1.00 0.00 C ATOM 463 O LYS A 31 4.517 -14.541 7.436 1.00 0.00 O ATOM 464 CB LYS A 31 1.706 -15.690 9.101 1.00 0.00 C ATOM 465 CG LYS A 31 2.294 -16.558 10.234 1.00 0.00 C ATOM 466 CD LYS A 31 1.318 -16.726 11.376 1.00 0.00 C ATOM 467 CE LYS A 31 2.095 -16.722 12.684 1.00 0.00 C ATOM 468 NZ LYS A 31 1.495 -15.906 13.756 1.00 0.00 N ATOM 0 H LYS A 31 4.311 -16.590 8.867 1.00 0.00 H new ATOM 0 HA LYS A 31 1.876 -16.121 7.159 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.613 -14.656 9.433 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.704 -16.035 8.848 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.564 -17.538 9.839 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.211 -16.100 10.604 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.585 -15.919 11.369 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.766 -17.659 11.267 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.190 -17.749 13.038 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.104 -16.357 12.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.955 -16.130 14.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.628 -14.897 13.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.478 -16.115 13.823 1.00 0.00 H new ATOM 482 N PHE A 32 2.628 -13.301 7.689 1.00 0.00 N ATOM 483 CA PHE A 32 3.384 -12.067 7.464 1.00 0.00 C ATOM 484 C PHE A 32 2.193 -11.089 7.591 1.00 0.00 C ATOM 485 O PHE A 32 1.209 -11.240 6.930 1.00 0.00 O ATOM 486 CB PHE A 32 4.053 -11.959 6.117 1.00 0.00 C ATOM 487 CG PHE A 32 5.490 -12.419 6.211 1.00 0.00 C ATOM 488 CD1 PHE A 32 6.312 -12.126 7.282 1.00 0.00 C ATOM 489 CD2 PHE A 32 6.091 -13.182 5.231 1.00 0.00 C ATOM 490 CE1 PHE A 32 7.601 -12.581 7.312 1.00 0.00 C ATOM 491 CE2 PHE A 32 7.421 -13.604 5.353 1.00 0.00 C ATOM 492 CZ PHE A 32 8.138 -13.253 6.455 1.00 0.00 C ATOM 0 H PHE A 32 1.627 -13.206 7.858 1.00 0.00 H new ATOM 0 HA PHE A 32 4.236 -11.927 8.129 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.516 -12.564 5.386 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.016 -10.928 5.766 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.934 -11.533 8.102 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.525 -13.459 4.354 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.195 -12.319 8.175 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.874 -14.204 4.578 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.166 -13.566 6.565 1.00 0.00 H new ATOM 502 N THR A 33 2.530 -10.192 8.501 1.00 0.00 N ATOM 503 CA THR A 33 1.517 -9.149 8.768 1.00 0.00 C ATOM 504 C THR A 33 2.209 -8.015 8.022 1.00 0.00 C ATOM 505 O THR A 33 3.290 -7.531 8.427 1.00 0.00 O ATOM 506 CB THR A 33 1.235 -9.038 10.214 1.00 0.00 C ATOM 507 OG1 THR A 33 -0.161 -8.896 10.465 1.00 0.00 O ATOM 508 CG2 THR A 33 1.801 -7.747 10.754 1.00 0.00 C ATOM 0 H THR A 33 3.402 -10.146 9.029 1.00 0.00 H new ATOM 0 HA THR A 33 0.487 -9.273 8.433 1.00 0.00 H new ATOM 0 HB THR A 33 1.657 -9.935 10.668 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.314 -8.827 11.430 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.588 -7.674 11.821 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.880 -7.729 10.597 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.345 -6.904 10.235 1.00 0.00 H new ATOM 516 N VAL A 34 1.606 -7.597 6.942 1.00 0.00 N ATOM 517 CA VAL A 34 2.355 -6.505 6.310 1.00 0.00 C ATOM 518 C VAL A 34 2.089 -5.305 7.161 1.00 0.00 C ATOM 519 O VAL A 34 1.063 -5.065 7.753 1.00 0.00 O ATOM 520 CB VAL A 34 1.734 -6.484 4.929 1.00 0.00 C ATOM 521 CG1 VAL A 34 1.727 -5.186 4.157 1.00 0.00 C ATOM 522 CG2 VAL A 34 2.469 -7.452 3.963 1.00 0.00 C ATOM 0 H VAL A 34 0.736 -7.920 6.519 1.00 0.00 H new ATOM 0 HA VAL A 34 3.439 -6.576 6.223 1.00 0.00 H new ATOM 0 HB VAL A 34 0.707 -6.743 5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.248 -5.340 3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.176 -4.431 4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.752 -4.848 4.004 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.998 -7.413 2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.514 -7.156 3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.411 -8.468 4.353 1.00 0.00 H new ATOM 532 N LYS A 35 3.199 -4.520 7.154 1.00 0.00 N ATOM 533 CA LYS A 35 3.169 -3.290 7.908 1.00 0.00 C ATOM 534 C LYS A 35 2.622 -2.125 7.132 1.00 0.00 C ATOM 535 O LYS A 35 3.128 -1.061 6.931 1.00 0.00 O ATOM 536 CB LYS A 35 4.501 -3.018 8.655 1.00 0.00 C ATOM 537 CG LYS A 35 4.508 -1.674 9.383 1.00 0.00 C ATOM 538 CD LYS A 35 5.547 -1.500 10.491 1.00 0.00 C ATOM 539 CE LYS A 35 4.982 -1.345 11.926 1.00 0.00 C ATOM 540 NZ LYS A 35 5.359 -0.065 12.507 1.00 0.00 N ATOM 0 H LYS A 35 4.067 -4.720 6.658 1.00 0.00 H new ATOM 0 HA LYS A 35 2.435 -3.430 8.702 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.678 -3.817 9.375 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.324 -3.044 7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.663 -0.888 8.644 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.520 -1.516 9.815 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.216 -2.361 10.475 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.152 -0.622 10.262 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.896 -1.430 11.903 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.352 -2.155 12.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.966 0.010 13.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.396 0.005 12.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.985 0.707 11.919 1.00 0.00 H new ATOM 554 N GLU A 36 1.393 -2.388 6.627 1.00 0.00 N ATOM 555 CA GLU A 36 0.686 -1.404 5.846 1.00 0.00 C ATOM 556 C GLU A 36 0.207 -0.312 6.800 1.00 0.00 C ATOM 557 O GLU A 36 -0.993 -0.148 7.044 1.00 0.00 O ATOM 558 CB GLU A 36 -0.565 -2.147 5.335 1.00 0.00 C ATOM 559 CG GLU A 36 -1.300 -1.355 4.231 1.00 0.00 C ATOM 560 CD GLU A 36 -2.656 -2.058 4.024 1.00 0.00 C ATOM 561 OE1 GLU A 36 -3.468 -2.015 4.946 1.00 0.00 O ATOM 562 OE2 GLU A 36 -2.873 -2.632 2.951 1.00 0.00 O ATOM 0 H GLU A 36 0.895 -3.268 6.757 1.00 0.00 H new ATOM 0 HA GLU A 36 1.292 -0.975 5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.273 -3.123 4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.246 -2.325 6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.442 -0.316 4.527 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.721 -1.347 3.307 1.00 0.00 H new ATOM 569 N SER A 37 1.153 0.460 7.351 1.00 0.00 N ATOM 570 CA SER A 37 0.692 1.496 8.256 1.00 0.00 C ATOM 571 C SER A 37 0.187 2.650 7.428 1.00 0.00 C ATOM 572 O SER A 37 0.863 3.054 6.502 1.00 0.00 O ATOM 573 CB SER A 37 1.934 1.881 9.055 1.00 0.00 C ATOM 574 OG SER A 37 2.311 0.792 9.891 1.00 0.00 O ATOM 0 H SER A 37 2.159 0.393 7.199 1.00 0.00 H new ATOM 0 HA SER A 37 -0.118 1.187 8.917 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.751 2.136 8.380 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.732 2.766 9.659 1.00 0.00 H new ATOM 0 HG SER A 37 2.105 1.009 10.824 1.00 0.00 H new ATOM 580 N SER A 38 -1.013 3.129 7.821 1.00 0.00 N ATOM 581 CA SER A 38 -1.502 4.253 7.017 1.00 0.00 C ATOM 582 C SER A 38 -2.095 5.325 7.919 1.00 0.00 C ATOM 583 O SER A 38 -1.819 5.322 9.118 1.00 0.00 O ATOM 584 CB SER A 38 -2.518 3.682 6.024 1.00 0.00 C ATOM 585 OG SER A 38 -1.935 2.816 5.081 1.00 0.00 O ATOM 0 H SER A 38 -1.595 2.802 8.592 1.00 0.00 H new ATOM 0 HA SER A 38 -0.697 4.739 6.466 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.292 3.146 6.572 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.008 4.503 5.501 1.00 0.00 H new ATOM 0 HG SER A 38 -2.627 2.480 4.474 1.00 0.00 H new ATOM 591 N ASN A 39 -2.905 6.209 7.271 1.00 0.00 N ATOM 592 CA ASN A 39 -3.551 7.297 8.012 1.00 0.00 C ATOM 593 C ASN A 39 -4.990 6.859 8.266 1.00 0.00 C ATOM 594 O ASN A 39 -5.982 7.474 7.894 1.00 0.00 O ATOM 595 CB ASN A 39 -3.453 8.564 7.187 1.00 0.00 C ATOM 596 CG ASN A 39 -2.083 8.711 6.540 1.00 0.00 C ATOM 597 OD1 ASN A 39 -1.894 8.700 5.323 1.00 0.00 O ATOM 598 ND2 ASN A 39 -1.075 8.855 7.419 1.00 0.00 N ATOM 0 H ASN A 39 -3.113 6.182 6.273 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.076 7.506 8.970 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.221 8.555 6.414 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.650 9.428 7.822 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.117 8.960 7.084 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.268 8.860 8.420 1.00 0.00 H new ATOM 605 N PHE A 40 -4.947 5.690 8.956 1.00 0.00 N ATOM 606 CA PHE A 40 -6.222 5.101 9.294 1.00 0.00 C ATOM 607 C PHE A 40 -6.139 4.680 10.779 1.00 0.00 C ATOM 608 O PHE A 40 -6.789 5.340 11.573 1.00 0.00 O ATOM 609 CB PHE A 40 -6.483 3.882 8.399 1.00 0.00 C ATOM 610 CG PHE A 40 -6.800 4.227 6.973 1.00 0.00 C ATOM 611 CD1 PHE A 40 -7.646 5.238 6.635 1.00 0.00 C ATOM 612 CD2 PHE A 40 -6.251 3.544 5.928 1.00 0.00 C ATOM 613 CE1 PHE A 40 -7.881 5.496 5.321 1.00 0.00 C ATOM 614 CE2 PHE A 40 -6.545 3.872 4.630 1.00 0.00 C ATOM 615 CZ PHE A 40 -7.403 4.903 4.383 1.00 0.00 C ATOM 0 H PHE A 40 -4.111 5.189 9.258 1.00 0.00 H new ATOM 0 HA PHE A 40 -7.040 5.805 9.141 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.606 3.235 8.419 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -7.311 3.309 8.816 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -8.125 5.829 7.402 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -5.571 2.729 6.127 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -8.558 6.306 5.095 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.103 3.321 3.813 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.650 5.184 3.370 1.00 0.00 H new ATOM 625 N ARG A 41 -5.357 3.626 10.987 1.00 0.00 N ATOM 626 CA ARG A 41 -5.078 3.010 12.245 1.00 0.00 C ATOM 627 C ARG A 41 -3.768 2.216 12.335 1.00 0.00 C ATOM 628 O ARG A 41 -3.671 1.526 13.357 1.00 0.00 O ATOM 629 CB ARG A 41 -6.158 1.922 12.494 1.00 0.00 C ATOM 630 CG ARG A 41 -7.607 2.338 12.335 1.00 0.00 C ATOM 631 CD ARG A 41 -8.235 2.036 10.949 1.00 0.00 C ATOM 632 NE ARG A 41 -9.523 1.410 11.165 1.00 0.00 N ATOM 633 CZ ARG A 41 -10.663 2.102 11.348 1.00 0.00 C ATOM 634 NH1 ARG A 41 -10.649 3.417 11.341 1.00 0.00 N ATOM 635 NH2 ARG A 41 -11.848 1.526 11.546 1.00 0.00 N ATOM 0 H ARG A 41 -4.876 3.160 10.217 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.039 3.844 12.946 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.967 1.094 11.812 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.025 1.539 13.506 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.198 1.836 13.101 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.683 3.409 12.525 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.350 2.955 10.375 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.585 1.379 10.372 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.569 0.391 11.179 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.772 3.917 11.196 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.515 3.937 11.480 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.924 0.509 11.565 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.679 2.102 11.679 1.00 0.00 H new ATOM 649 N ASN A 42 -2.927 2.340 11.324 1.00 0.00 N ATOM 650 CA ASN A 42 -1.680 1.615 11.330 1.00 0.00 C ATOM 651 C ASN A 42 -1.950 0.127 10.998 1.00 0.00 C ATOM 652 O ASN A 42 -1.042 -0.677 11.101 1.00 0.00 O ATOM 653 CB ASN A 42 -0.910 1.797 12.630 1.00 0.00 C ATOM 654 CG ASN A 42 0.408 2.551 12.523 1.00 0.00 C ATOM 655 OD1 ASN A 42 1.382 2.253 11.864 1.00 0.00 O ATOM 656 ND2 ASN A 42 0.334 3.649 13.312 1.00 0.00 N ATOM 0 H ASN A 42 -3.085 2.926 10.504 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.032 2.027 10.557 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.550 2.323 13.338 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.710 0.812 13.052 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.129 4.284 13.378 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.517 3.841 13.841 1.00 0.00 H new ATOM 663 N ILE A 43 -3.208 0.023 10.636 1.00 0.00 N ATOM 664 CA ILE A 43 -3.807 -1.249 10.223 1.00 0.00 C ATOM 665 C ILE A 43 -2.774 -2.147 9.624 1.00 0.00 C ATOM 666 O ILE A 43 -1.851 -1.968 8.872 1.00 0.00 O ATOM 667 CB ILE A 43 -4.804 -0.738 9.157 1.00 0.00 C ATOM 668 CG1 ILE A 43 -5.346 -1.730 8.185 1.00 0.00 C ATOM 669 CG2 ILE A 43 -3.960 0.275 8.321 1.00 0.00 C ATOM 670 CD1 ILE A 43 -6.810 -1.414 7.766 1.00 0.00 C ATOM 0 H ILE A 43 -3.855 0.812 10.616 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.257 -1.839 11.021 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.681 -0.368 9.688 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.713 -1.748 7.298 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.305 -2.726 8.626 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.579 0.699 7.530 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.603 1.074 8.970 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.108 -0.240 7.878 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.156 -2.167 7.058 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.451 -1.424 8.648 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.850 -0.430 7.299 1.00 0.00 H new ATOM 682 N ASP A 44 -2.998 -3.422 10.081 1.00 0.00 N ATOM 683 CA ASP A 44 -2.147 -4.507 9.660 1.00 0.00 C ATOM 684 C ASP A 44 -2.945 -5.467 8.797 1.00 0.00 C ATOM 685 O ASP A 44 -4.074 -5.732 9.166 1.00 0.00 O ATOM 686 CB ASP A 44 -1.632 -5.244 10.910 1.00 0.00 C ATOM 687 CG ASP A 44 -1.912 -4.481 12.208 1.00 0.00 C ATOM 688 OD1 ASP A 44 -3.041 -4.486 12.728 1.00 0.00 O ATOM 689 OD2 ASP A 44 -0.965 -3.868 12.712 1.00 0.00 O ATOM 0 H ASP A 44 -3.747 -3.685 10.722 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.306 -4.121 9.084 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.099 -6.227 10.964 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.558 -5.406 10.814 1.00 0.00 H new ATOM 694 N VAL A 45 -2.250 -5.863 7.752 1.00 0.00 N ATOM 695 CA VAL A 45 -2.892 -6.795 6.810 1.00 0.00 C ATOM 696 C VAL A 45 -2.174 -8.140 7.059 1.00 0.00 C ATOM 697 O VAL A 45 -1.039 -8.236 6.658 1.00 0.00 O ATOM 698 CB VAL A 45 -2.855 -6.362 5.375 1.00 0.00 C ATOM 699 CG1 VAL A 45 -3.855 -7.079 4.417 1.00 0.00 C ATOM 700 CG2 VAL A 45 -3.274 -4.899 5.190 1.00 0.00 C ATOM 0 H VAL A 45 -1.295 -5.583 7.528 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.965 -6.854 6.991 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.818 -6.589 5.130 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.738 -6.685 3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.652 -8.150 4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.875 -6.904 4.759 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.229 -4.639 4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.292 -4.763 5.554 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.599 -4.253 5.752 1.00 0.00 H new ATOM 710 N VAL A 46 -2.938 -9.025 7.698 1.00 0.00 N ATOM 711 CA VAL A 46 -2.230 -10.284 7.924 1.00 0.00 C ATOM 712 C VAL A 46 -2.705 -11.462 7.126 1.00 0.00 C ATOM 713 O VAL A 46 -3.754 -11.353 6.531 1.00 0.00 O ATOM 714 CB VAL A 46 -2.610 -10.634 9.374 1.00 0.00 C ATOM 715 CG1 VAL A 46 -3.975 -11.288 9.511 1.00 0.00 C ATOM 716 CG2 VAL A 46 -1.639 -11.645 10.004 1.00 0.00 C ATOM 0 H VAL A 46 -3.899 -8.928 8.026 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.181 -10.132 7.668 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.588 -9.665 9.872 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.171 -11.504 10.561 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.742 -10.613 9.130 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.993 -12.216 8.940 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.950 -11.859 11.027 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.645 -12.567 9.422 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.632 -11.227 10.011 1.00 0.00 H new ATOM 726 N PHE A 47 -1.833 -12.488 7.225 1.00 0.00 N ATOM 727 CA PHE A 47 -2.231 -13.641 6.484 1.00 0.00 C ATOM 728 C PHE A 47 -1.301 -14.819 6.725 1.00 0.00 C ATOM 729 O PHE A 47 -0.393 -14.618 7.539 1.00 0.00 O ATOM 730 CB PHE A 47 -2.207 -13.322 4.966 1.00 0.00 C ATOM 731 CG PHE A 47 -0.988 -12.461 4.676 1.00 0.00 C ATOM 732 CD1 PHE A 47 0.236 -12.963 4.388 1.00 0.00 C ATOM 733 CD2 PHE A 47 -1.167 -11.075 4.720 1.00 0.00 C ATOM 734 CE1 PHE A 47 1.264 -12.053 4.149 1.00 0.00 C ATOM 735 CE2 PHE A 47 -0.105 -10.251 4.471 1.00 0.00 C ATOM 736 CZ PHE A 47 1.100 -10.847 4.192 1.00 0.00 C ATOM 0 H PHE A 47 -0.959 -12.526 7.749 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.235 -13.905 6.817 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.167 -14.244 4.385 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.118 -12.800 4.674 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.409 -14.028 4.345 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.137 -10.659 4.949 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.248 -12.433 3.916 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.209 -9.176 4.493 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.951 -10.210 4.000 1.00 0.00 H new ATOM 746 N GLU A 48 -1.548 -15.969 6.041 1.00 0.00 N ATOM 747 CA GLU A 48 -0.658 -17.054 6.295 1.00 0.00 C ATOM 748 C GLU A 48 -0.233 -17.852 5.023 1.00 0.00 C ATOM 749 O GLU A 48 -0.168 -19.073 5.112 1.00 0.00 O ATOM 750 CB GLU A 48 -1.457 -17.985 7.229 1.00 0.00 C ATOM 751 CG GLU A 48 -0.603 -18.461 8.376 1.00 0.00 C ATOM 752 CD GLU A 48 -1.258 -19.589 9.189 1.00 0.00 C ATOM 753 OE1 GLU A 48 -2.187 -19.344 9.951 1.00 0.00 O ATOM 754 OE2 GLU A 48 -0.859 -20.751 9.081 1.00 0.00 O ATOM 0 H GLU A 48 -2.299 -16.132 5.371 1.00 0.00 H new ATOM 0 HA GLU A 48 0.275 -16.674 6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.329 -17.458 7.615 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.826 -18.842 6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.354 -18.810 7.988 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.392 -17.620 9.037 1.00 0.00 H new ATOM 761 N LEU A 49 -0.005 -17.001 4.017 1.00 0.00 N ATOM 762 CA LEU A 49 0.407 -17.457 2.718 1.00 0.00 C ATOM 763 C LEU A 49 -0.574 -18.357 1.991 1.00 0.00 C ATOM 764 O LEU A 49 -0.917 -19.463 2.337 1.00 0.00 O ATOM 765 CB LEU A 49 1.723 -18.221 2.966 1.00 0.00 C ATOM 766 CG LEU A 49 2.850 -17.575 2.190 1.00 0.00 C ATOM 767 CD1 LEU A 49 4.260 -18.148 2.524 1.00 0.00 C ATOM 768 CD2 LEU A 49 2.729 -17.827 0.680 1.00 0.00 C ATOM 0 H LEU A 49 -0.104 -15.989 4.095 1.00 0.00 H new ATOM 0 HA LEU A 49 0.497 -16.592 2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.957 -18.222 4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.612 -19.262 2.663 1.00 0.00 H new ATOM 0 HG LEU A 49 2.761 -16.525 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.013 -17.633 1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.472 -17.999 3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.283 -19.214 2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.559 -17.345 0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.755 -18.899 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.787 -17.416 0.317 1.00 0.00 H new ATOM 780 N GLY A 50 -1.049 -17.811 0.892 1.00 0.00 N ATOM 781 CA GLY A 50 -2.008 -18.506 0.041 1.00 0.00 C ATOM 782 C GLY A 50 -3.266 -18.657 0.925 1.00 0.00 C ATOM 783 O GLY A 50 -3.754 -19.774 0.862 1.00 0.00 O ATOM 0 H GLY A 50 -0.788 -16.882 0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.223 -17.936 -0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.627 -19.476 -0.277 1.00 0.00 H new ATOM 787 N VAL A 51 -3.588 -17.548 1.591 1.00 0.00 N ATOM 788 CA VAL A 51 -4.729 -17.484 2.468 1.00 0.00 C ATOM 789 C VAL A 51 -5.817 -16.537 2.026 1.00 0.00 C ATOM 790 O VAL A 51 -5.780 -15.344 2.328 1.00 0.00 O ATOM 791 CB VAL A 51 -4.287 -17.132 3.915 1.00 0.00 C ATOM 792 CG1 VAL A 51 -5.361 -16.708 4.867 1.00 0.00 C ATOM 793 CG2 VAL A 51 -3.801 -18.443 4.562 1.00 0.00 C ATOM 0 H VAL A 51 -3.059 -16.678 1.530 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.167 -18.482 2.431 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.579 -16.313 3.787 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.920 -16.492 5.840 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.854 -15.814 4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.093 -17.509 4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.478 -18.246 5.584 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.615 -19.168 4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.965 -18.844 3.989 1.00 0.00 H new ATOM 803 N ASP A 52 -6.740 -17.216 1.305 1.00 0.00 N ATOM 804 CA ASP A 52 -7.842 -16.401 0.820 1.00 0.00 C ATOM 805 C ASP A 52 -8.886 -16.140 1.926 1.00 0.00 C ATOM 806 O ASP A 52 -9.067 -16.924 2.843 1.00 0.00 O ATOM 807 CB ASP A 52 -8.498 -16.975 -0.422 1.00 0.00 C ATOM 808 CG ASP A 52 -9.076 -18.354 -0.131 1.00 0.00 C ATOM 809 OD1 ASP A 52 -8.914 -18.911 0.959 1.00 0.00 O ATOM 810 OD2 ASP A 52 -9.727 -18.933 -1.005 1.00 0.00 O ATOM 0 H ASP A 52 -6.743 -18.209 1.073 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.406 -15.444 0.532 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.289 -16.308 -0.764 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.767 -17.043 -1.228 1.00 0.00 H new ATOM 815 N PHE A 53 -9.498 -14.963 1.671 1.00 0.00 N ATOM 816 CA PHE A 53 -10.503 -14.567 2.602 1.00 0.00 C ATOM 817 C PHE A 53 -11.277 -13.305 2.238 1.00 0.00 C ATOM 818 O PHE A 53 -11.098 -12.744 1.161 1.00 0.00 O ATOM 819 CB PHE A 53 -9.883 -14.381 4.002 1.00 0.00 C ATOM 820 CG PHE A 53 -8.689 -13.455 4.042 1.00 0.00 C ATOM 821 CD1 PHE A 53 -8.444 -12.496 3.079 1.00 0.00 C ATOM 822 CD2 PHE A 53 -7.744 -13.492 5.048 1.00 0.00 C ATOM 823 CE1 PHE A 53 -7.330 -11.672 3.168 1.00 0.00 C ATOM 824 CE2 PHE A 53 -6.650 -12.657 5.096 1.00 0.00 C ATOM 825 CZ PHE A 53 -6.509 -11.727 4.065 1.00 0.00 C ATOM 0 H PHE A 53 -9.316 -14.335 0.888 1.00 0.00 H new ATOM 0 HA PHE A 53 -11.229 -15.380 2.583 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.648 -13.996 4.676 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.583 -15.356 4.385 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -9.126 -12.386 2.249 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.870 -14.215 5.840 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.183 -10.935 2.392 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.930 -12.719 5.899 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.666 -11.052 4.063 1.00 0.00 H new ATOM 835 N ALA A 54 -12.159 -12.808 3.109 1.00 0.00 N ATOM 836 CA ALA A 54 -12.931 -11.598 2.820 1.00 0.00 C ATOM 837 C ALA A 54 -12.667 -10.732 4.089 1.00 0.00 C ATOM 838 O ALA A 54 -13.351 -10.948 5.068 1.00 0.00 O ATOM 839 CB ALA A 54 -14.420 -11.820 2.666 1.00 0.00 C ATOM 0 H ALA A 54 -12.356 -13.225 4.019 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.630 -11.161 1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.910 -10.870 2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.601 -12.513 1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -14.823 -12.238 3.589 1.00 0.00 H new ATOM 845 N TYR A 55 -11.706 -9.841 3.948 1.00 0.00 N ATOM 846 CA TYR A 55 -11.413 -8.996 5.110 1.00 0.00 C ATOM 847 C TYR A 55 -11.912 -7.567 4.948 1.00 0.00 C ATOM 848 O TYR A 55 -11.677 -6.934 3.954 1.00 0.00 O ATOM 849 CB TYR A 55 -9.925 -9.032 5.479 1.00 0.00 C ATOM 850 CG TYR A 55 -9.580 -10.187 6.412 1.00 0.00 C ATOM 851 CD1 TYR A 55 -10.439 -11.104 6.932 1.00 0.00 C ATOM 852 CD2 TYR A 55 -8.235 -10.341 6.788 1.00 0.00 C ATOM 853 CE1 TYR A 55 -10.020 -12.110 7.768 1.00 0.00 C ATOM 854 CE2 TYR A 55 -7.931 -11.380 7.631 1.00 0.00 C ATOM 855 CZ TYR A 55 -8.875 -12.267 8.110 1.00 0.00 C ATOM 856 OH TYR A 55 -8.541 -13.289 8.945 1.00 0.00 O ATOM 0 H TYR A 55 -11.146 -9.681 3.111 1.00 0.00 H new ATOM 0 HA TYR A 55 -11.972 -9.424 5.942 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.331 -9.115 4.569 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.650 -8.091 5.955 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.487 -11.039 6.679 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.471 -9.668 6.428 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -10.761 -12.802 8.141 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.903 -11.511 7.935 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.576 -13.269 9.117 1.00 0.00 H new ATOM 866 N SER A 56 -12.600 -7.181 6.020 1.00 0.00 N ATOM 867 CA SER A 56 -13.091 -5.811 5.908 1.00 0.00 C ATOM 868 C SER A 56 -12.005 -4.916 6.545 1.00 0.00 C ATOM 869 O SER A 56 -12.319 -4.406 7.633 1.00 0.00 O ATOM 870 CB SER A 56 -14.378 -5.774 6.698 1.00 0.00 C ATOM 871 OG SER A 56 -14.856 -4.465 6.918 1.00 0.00 O ATOM 0 H SER A 56 -12.810 -7.710 6.866 1.00 0.00 H new ATOM 0 HA SER A 56 -13.280 -5.474 4.889 1.00 0.00 H new ATOM 0 HB2 SER A 56 -15.139 -6.348 6.169 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.221 -6.263 7.659 1.00 0.00 H new ATOM 0 HG SER A 56 -14.192 -3.956 7.428 1.00 0.00 H new ATOM 877 N LEU A 57 -10.887 -4.821 5.819 1.00 0.00 N ATOM 878 CA LEU A 57 -9.736 -4.016 6.247 1.00 0.00 C ATOM 879 C LEU A 57 -10.139 -2.737 6.962 1.00 0.00 C ATOM 880 O LEU A 57 -10.206 -2.726 8.191 1.00 0.00 O ATOM 881 CB LEU A 57 -8.926 -3.715 4.991 1.00 0.00 C ATOM 882 CG LEU A 57 -7.695 -2.824 5.276 1.00 0.00 C ATOM 883 CD1 LEU A 57 -6.653 -3.669 5.978 1.00 0.00 C ATOM 884 CD2 LEU A 57 -7.002 -2.345 4.002 1.00 0.00 C ATOM 0 H LEU A 57 -10.753 -5.295 4.926 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.149 -4.572 6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.596 -4.652 4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.566 -3.221 4.260 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.054 -1.971 5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.774 -3.061 6.190 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.064 -4.051 6.913 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.371 -4.505 5.338 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.146 -1.724 4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.663 -3.206 3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.703 -1.762 3.404 1.00 0.00 H new ATOM 896 N ALA A 58 -10.409 -1.667 6.197 1.00 0.00 N ATOM 897 CA ALA A 58 -10.804 -0.419 6.819 1.00 0.00 C ATOM 898 C ALA A 58 -12.329 -0.409 7.006 1.00 0.00 C ATOM 899 O ALA A 58 -12.806 -1.457 7.429 1.00 0.00 O ATOM 900 CB ALA A 58 -10.370 0.721 5.911 1.00 0.00 C ATOM 0 H ALA A 58 -10.360 -1.650 5.178 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.335 -0.306 7.796 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.657 1.672 6.359 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.288 0.692 5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.854 0.617 4.940 1.00 0.00 H new ATOM 906 N ASP A 59 -12.995 0.724 6.689 1.00 0.00 N ATOM 907 CA ASP A 59 -14.458 0.791 6.848 1.00 0.00 C ATOM 908 C ASP A 59 -15.118 0.759 5.489 1.00 0.00 C ATOM 909 O ASP A 59 -15.846 1.648 5.109 1.00 0.00 O ATOM 910 CB ASP A 59 -14.859 2.107 7.515 1.00 0.00 C ATOM 911 CG ASP A 59 -13.915 2.484 8.653 1.00 0.00 C ATOM 912 OD1 ASP A 59 -13.639 1.607 9.463 1.00 0.00 O ATOM 913 OD2 ASP A 59 -13.460 3.623 8.730 1.00 0.00 O ATOM 0 H ASP A 59 -12.558 1.575 6.334 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.772 -0.056 7.457 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.865 2.903 6.771 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.875 2.023 7.900 1.00 0.00 H new ATOM 918 N GLY A 60 -14.801 -0.355 4.768 1.00 0.00 N ATOM 919 CA GLY A 60 -15.343 -0.552 3.450 1.00 0.00 C ATOM 920 C GLY A 60 -14.479 -1.700 2.852 1.00 0.00 C ATOM 921 O GLY A 60 -15.038 -2.803 2.928 1.00 0.00 O ATOM 0 H GLY A 60 -14.184 -1.098 5.095 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.397 -0.826 3.489 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.271 0.355 2.850 1.00 0.00 H new ATOM 925 N THR A 61 -13.313 -1.305 2.368 1.00 0.00 N ATOM 926 CA THR A 61 -12.313 -2.147 1.750 1.00 0.00 C ATOM 927 C THR A 61 -12.984 -3.428 1.210 1.00 0.00 C ATOM 928 O THR A 61 -13.472 -3.363 0.097 1.00 0.00 O ATOM 929 CB THR A 61 -11.179 -2.463 2.728 1.00 0.00 C ATOM 930 OG1 THR A 61 -11.602 -2.278 4.050 1.00 0.00 O ATOM 931 CG2 THR A 61 -9.933 -1.589 2.474 1.00 0.00 C ATOM 0 H THR A 61 -13.026 -0.327 2.400 1.00 0.00 H new ATOM 0 HA THR A 61 -11.862 -1.616 0.912 1.00 0.00 H new ATOM 0 HB THR A 61 -10.908 -3.506 2.566 1.00 0.00 H new ATOM 0 HG1 THR A 61 -12.119 -3.058 4.340 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.154 -1.848 3.191 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.567 -1.763 1.462 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.197 -0.538 2.589 1.00 0.00 H new ATOM 939 N GLU A 62 -12.974 -4.483 2.013 1.00 0.00 N ATOM 940 CA GLU A 62 -13.597 -5.728 1.565 1.00 0.00 C ATOM 941 C GLU A 62 -12.684 -6.391 0.536 1.00 0.00 C ATOM 942 O GLU A 62 -13.136 -7.106 -0.351 1.00 0.00 O ATOM 943 CB GLU A 62 -15.002 -5.478 1.030 1.00 0.00 C ATOM 944 CG GLU A 62 -16.103 -6.303 1.712 1.00 0.00 C ATOM 945 CD GLU A 62 -17.303 -6.204 0.754 1.00 0.00 C ATOM 946 OE1 GLU A 62 -18.054 -5.249 0.796 1.00 0.00 O ATOM 947 OE2 GLU A 62 -17.433 -7.149 -0.037 1.00 0.00 O ATOM 0 H GLU A 62 -12.559 -4.509 2.944 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.717 -6.409 2.407 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.237 -4.420 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.013 -5.694 -0.038 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.793 -7.338 1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.346 -5.904 2.697 1.00 0.00 H new ATOM 954 N LEU A 63 -11.397 -6.063 0.788 1.00 0.00 N ATOM 955 CA LEU A 63 -10.356 -6.580 -0.042 1.00 0.00 C ATOM 956 C LEU A 63 -10.339 -8.109 0.122 1.00 0.00 C ATOM 957 O LEU A 63 -9.707 -8.657 0.993 1.00 0.00 O ATOM 958 CB LEU A 63 -9.035 -6.050 0.547 1.00 0.00 C ATOM 959 CG LEU A 63 -8.507 -4.775 -0.115 1.00 0.00 C ATOM 960 CD1 LEU A 63 -9.509 -3.618 -0.116 1.00 0.00 C ATOM 961 CD2 LEU A 63 -7.258 -4.296 0.587 1.00 0.00 C ATOM 0 H LEU A 63 -11.088 -5.456 1.547 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.492 -6.299 -1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.178 -5.859 1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.277 -6.828 0.462 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.307 -5.052 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.062 -2.750 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.407 -3.915 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.772 -3.364 0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.895 -3.389 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.486 -4.085 1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.491 -5.068 0.532 1.00 0.00 H new ATOM 973 N THR A 64 -11.111 -8.697 -0.807 1.00 0.00 N ATOM 974 CA THR A 64 -11.315 -10.107 -0.935 1.00 0.00 C ATOM 975 C THR A 64 -10.244 -10.701 -1.851 1.00 0.00 C ATOM 976 O THR A 64 -10.339 -10.636 -3.063 1.00 0.00 O ATOM 977 CB THR A 64 -12.701 -10.395 -1.510 1.00 0.00 C ATOM 978 OG1 THR A 64 -13.670 -9.890 -0.624 1.00 0.00 O ATOM 979 CG2 THR A 64 -12.963 -11.864 -1.723 1.00 0.00 C ATOM 0 H THR A 64 -11.621 -8.160 -1.508 1.00 0.00 H new ATOM 0 HA THR A 64 -11.243 -10.563 0.053 1.00 0.00 H new ATOM 0 HB THR A 64 -12.751 -9.913 -2.486 1.00 0.00 H new ATOM 0 HG1 THR A 64 -13.587 -8.915 -0.570 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.964 -11.999 -2.133 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.228 -12.267 -2.420 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.887 -12.389 -0.771 1.00 0.00 H new ATOM 987 N GLY A 65 -9.242 -11.275 -1.202 1.00 0.00 N ATOM 988 CA GLY A 65 -8.219 -11.839 -2.083 1.00 0.00 C ATOM 989 C GLY A 65 -7.441 -12.863 -1.225 1.00 0.00 C ATOM 990 O GLY A 65 -8.049 -13.373 -0.298 1.00 0.00 O ATOM 0 H GLY A 65 -9.113 -11.362 -0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.672 -12.320 -2.950 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.556 -11.061 -2.460 1.00 0.00 H new ATOM 994 N THR A 66 -6.193 -13.023 -1.644 1.00 0.00 N ATOM 995 CA THR A 66 -5.225 -13.919 -1.031 1.00 0.00 C ATOM 996 C THR A 66 -3.802 -13.662 -1.408 1.00 0.00 C ATOM 997 O THR A 66 -3.371 -13.726 -2.571 1.00 0.00 O ATOM 998 CB THR A 66 -5.678 -15.323 -1.461 1.00 0.00 C ATOM 999 OG1 THR A 66 -5.050 -16.271 -0.646 1.00 0.00 O ATOM 1000 CG2 THR A 66 -5.347 -15.538 -2.939 1.00 0.00 C ATOM 0 H THR A 66 -5.816 -12.516 -2.445 1.00 0.00 H new ATOM 0 HA THR A 66 -5.216 -13.777 0.050 1.00 0.00 H new ATOM 0 HB THR A 66 -6.756 -15.430 -1.344 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.334 -17.170 -0.912 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.669 -16.534 -3.243 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.864 -14.790 -3.540 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.272 -15.443 -3.089 1.00 0.00 H new ATOM 1008 N TRP A 67 -2.891 -13.322 -0.463 1.00 0.00 N ATOM 1009 CA TRP A 67 -1.504 -13.050 -0.834 1.00 0.00 C ATOM 1010 C TRP A 67 -0.718 -14.348 -0.601 1.00 0.00 C ATOM 1011 O TRP A 67 -0.775 -14.831 0.511 1.00 0.00 O ATOM 1012 CB TRP A 67 -0.850 -11.915 -0.052 1.00 0.00 C ATOM 1013 CG TRP A 67 -1.631 -10.664 -0.458 1.00 0.00 C ATOM 1014 CD1 TRP A 67 -2.164 -9.731 0.429 1.00 0.00 C ATOM 1015 CD2 TRP A 67 -1.987 -10.179 -1.774 1.00 0.00 C ATOM 1016 NE1 TRP A 67 -2.760 -8.818 -0.246 1.00 0.00 N ATOM 1017 CE2 TRP A 67 -2.712 -9.001 -1.612 1.00 0.00 C ATOM 1018 CE3 TRP A 67 -1.788 -10.593 -3.057 1.00 0.00 C ATOM 1019 CZ2 TRP A 67 -3.202 -8.309 -2.669 1.00 0.00 C ATOM 1020 CZ3 TRP A 67 -2.272 -9.899 -4.134 1.00 0.00 C ATOM 1021 CH2 TRP A 67 -2.991 -8.744 -3.955 1.00 0.00 C ATOM 0 H TRP A 67 -3.095 -13.234 0.532 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.494 -12.724 -1.874 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.910 -12.088 1.022 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.207 -11.820 -0.301 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -2.088 -9.770 1.506 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -3.229 -8.024 0.190 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -1.229 -11.501 -3.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -3.766 -7.404 -2.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -2.086 -10.264 -5.133 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -3.379 -8.194 -4.799 1.00 0.00 H new ATOM 1032 N THR A 68 -0.109 -14.668 -1.733 1.00 0.00 N ATOM 1033 CA THR A 68 0.747 -15.827 -1.930 1.00 0.00 C ATOM 1034 C THR A 68 2.185 -15.348 -2.183 1.00 0.00 C ATOM 1035 O THR A 68 2.581 -15.034 -3.274 1.00 0.00 O ATOM 1036 CB THR A 68 0.315 -16.787 -2.994 1.00 0.00 C ATOM 1037 OG1 THR A 68 1.068 -16.818 -4.197 1.00 0.00 O ATOM 1038 CG2 THR A 68 -1.187 -16.727 -3.385 1.00 0.00 C ATOM 0 H THR A 68 -0.203 -14.102 -2.576 1.00 0.00 H new ATOM 0 HA THR A 68 0.674 -16.408 -1.010 1.00 0.00 H new ATOM 0 HB THR A 68 0.522 -17.709 -2.450 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.554 -15.973 -4.301 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.390 -17.463 -4.163 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.800 -16.945 -2.510 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.427 -15.731 -3.757 1.00 0.00 H new ATOM 1046 N MET A 69 2.876 -15.347 -1.033 1.00 0.00 N ATOM 1047 CA MET A 69 4.266 -14.938 -0.969 1.00 0.00 C ATOM 1048 C MET A 69 5.014 -16.065 -1.673 1.00 0.00 C ATOM 1049 O MET A 69 5.446 -17.003 -1.037 1.00 0.00 O ATOM 1050 CB MET A 69 4.726 -14.854 0.502 1.00 0.00 C ATOM 1051 CG MET A 69 5.948 -13.942 0.579 1.00 0.00 C ATOM 1052 SD MET A 69 7.405 -14.946 0.770 1.00 0.00 S ATOM 1053 CE MET A 69 8.513 -13.691 1.436 1.00 0.00 C ATOM 0 H MET A 69 2.482 -15.629 -0.136 1.00 0.00 H new ATOM 0 HA MET A 69 4.438 -13.961 -1.421 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.923 -14.464 1.128 1.00 0.00 H new ATOM 0 HB3 MET A 69 4.971 -15.847 0.879 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.024 -13.336 -0.324 1.00 0.00 H new ATOM 0 HG3 MET A 69 5.852 -13.253 1.418 1.00 0.00 H new ATOM 0 HE1 MET A 69 9.336 -14.175 1.962 1.00 0.00 H new ATOM 0 HE2 MET A 69 8.909 -13.086 0.621 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.965 -13.052 2.129 1.00 0.00 H new ATOM 1063 N GLU A 70 5.117 -15.886 -3.004 1.00 0.00 N ATOM 1064 CA GLU A 70 5.819 -16.929 -3.751 1.00 0.00 C ATOM 1065 C GLU A 70 7.265 -16.575 -3.945 1.00 0.00 C ATOM 1066 O GLU A 70 7.635 -16.073 -4.997 1.00 0.00 O ATOM 1067 CB GLU A 70 5.160 -17.102 -5.132 1.00 0.00 C ATOM 1068 CG GLU A 70 5.442 -18.396 -5.854 1.00 0.00 C ATOM 1069 CD GLU A 70 4.713 -18.446 -7.205 1.00 0.00 C ATOM 1070 OE1 GLU A 70 3.822 -17.618 -7.378 1.00 0.00 O ATOM 1071 OE2 GLU A 70 4.996 -19.273 -8.084 1.00 0.00 O ATOM 0 H GLU A 70 4.755 -15.098 -3.542 1.00 0.00 H new ATOM 0 HA GLU A 70 5.758 -17.856 -3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.081 -17.008 -5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.482 -16.278 -5.769 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.515 -18.501 -6.012 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.127 -19.237 -5.236 1.00 0.00 H new ATOM 1078 N GLY A 71 7.987 -16.875 -2.868 1.00 0.00 N ATOM 1079 CA GLY A 71 9.406 -16.596 -2.881 1.00 0.00 C ATOM 1080 C GLY A 71 9.641 -15.094 -3.026 1.00 0.00 C ATOM 1081 O GLY A 71 9.689 -14.319 -2.071 1.00 0.00 O ATOM 0 H GLY A 71 7.625 -17.294 -2.011 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.865 -16.957 -1.960 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.882 -17.128 -3.704 1.00 0.00 H new ATOM 1085 N ASN A 72 9.789 -14.757 -4.322 1.00 0.00 N ATOM 1086 CA ASN A 72 10.023 -13.377 -4.707 1.00 0.00 C ATOM 1087 C ASN A 72 8.808 -12.790 -5.422 1.00 0.00 C ATOM 1088 O ASN A 72 8.958 -11.985 -6.346 1.00 0.00 O ATOM 1089 CB ASN A 72 11.334 -13.282 -5.498 1.00 0.00 C ATOM 1090 CG ASN A 72 11.345 -14.352 -6.567 1.00 0.00 C ATOM 1091 OD1 ASN A 72 10.347 -14.977 -6.916 1.00 0.00 O ATOM 1092 ND2 ASN A 72 12.536 -14.588 -7.130 1.00 0.00 N ATOM 0 H ASN A 72 9.750 -15.418 -5.098 1.00 0.00 H new ATOM 0 HA ASN A 72 10.149 -12.755 -3.821 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.429 -12.296 -5.952 1.00 0.00 H new ATOM 0 HB3 ASN A 72 12.186 -13.409 -4.830 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.624 -15.295 -7.860 1.00 0.00 H new ATOM 0 HD22 ASN A 72 13.356 -14.061 -6.829 1.00 0.00 H new ATOM 1099 N LYS A 73 7.614 -13.237 -4.943 1.00 0.00 N ATOM 1100 CA LYS A 73 6.421 -12.693 -5.609 1.00 0.00 C ATOM 1101 C LYS A 73 5.343 -12.486 -4.564 1.00 0.00 C ATOM 1102 O LYS A 73 5.435 -13.216 -3.562 1.00 0.00 O ATOM 1103 CB LYS A 73 6.036 -13.473 -6.849 1.00 0.00 C ATOM 1104 CG LYS A 73 6.624 -12.935 -8.139 1.00 0.00 C ATOM 1105 CD LYS A 73 7.861 -13.728 -8.583 1.00 0.00 C ATOM 1106 CE LYS A 73 8.804 -12.792 -9.331 1.00 0.00 C ATOM 1107 NZ LYS A 73 9.312 -13.426 -10.544 1.00 0.00 N ATOM 0 H LYS A 73 7.465 -13.900 -4.182 1.00 0.00 H new ATOM 0 HA LYS A 73 6.624 -11.710 -6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.353 -14.508 -6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.949 -13.480 -6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.869 -12.972 -8.924 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.894 -11.887 -8.005 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.365 -14.158 -7.717 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.566 -14.558 -9.225 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.280 -11.871 -9.589 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.637 -12.515 -8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.952 -12.770 -11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.830 -14.292 -10.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.516 -13.668 -11.168 1.00 0.00 H new ATOM 1121 N LEU A 74 4.430 -11.564 -4.808 1.00 0.00 N ATOM 1122 CA LEU A 74 3.392 -11.332 -3.836 1.00 0.00 C ATOM 1123 C LEU A 74 1.998 -11.211 -4.404 1.00 0.00 C ATOM 1124 O LEU A 74 1.141 -10.456 -3.999 1.00 0.00 O ATOM 1125 CB LEU A 74 3.860 -10.154 -2.927 1.00 0.00 C ATOM 1126 CG LEU A 74 4.407 -10.839 -1.666 1.00 0.00 C ATOM 1127 CD1 LEU A 74 5.225 -9.996 -0.718 1.00 0.00 C ATOM 1128 CD2 LEU A 74 3.358 -11.582 -0.792 1.00 0.00 C ATOM 0 H LEU A 74 4.389 -10.983 -5.645 1.00 0.00 H new ATOM 0 HA LEU A 74 3.264 -12.221 -3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.626 -9.554 -3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.034 -9.484 -2.689 1.00 0.00 H new ATOM 0 HG LEU A 74 5.067 -11.549 -2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.546 -10.606 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.100 -9.608 -1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.620 -9.165 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.853 -12.028 0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.602 -10.875 -0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.882 -12.365 -1.382 1.00 0.00 H new ATOM 1140 N VAL A 75 1.888 -12.089 -5.422 1.00 0.00 N ATOM 1141 CA VAL A 75 0.708 -12.286 -6.221 1.00 0.00 C ATOM 1142 C VAL A 75 -0.513 -12.788 -5.474 1.00 0.00 C ATOM 1143 O VAL A 75 -0.482 -13.497 -4.490 1.00 0.00 O ATOM 1144 CB VAL A 75 1.141 -13.178 -7.394 1.00 0.00 C ATOM 1145 CG1 VAL A 75 0.133 -13.490 -8.456 1.00 0.00 C ATOM 1146 CG2 VAL A 75 2.220 -12.380 -8.182 1.00 0.00 C ATOM 0 H VAL A 75 2.660 -12.693 -5.704 1.00 0.00 H new ATOM 0 HA VAL A 75 0.339 -11.323 -6.574 1.00 0.00 H new ATOM 0 HB VAL A 75 1.419 -14.117 -6.915 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.588 -14.128 -9.213 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.717 -14.006 -8.010 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.207 -12.563 -8.919 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.563 -12.972 -9.030 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.790 -11.445 -8.542 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.063 -12.163 -7.526 1.00 0.00 H new ATOM 1156 N GLY A 76 -1.633 -12.333 -6.057 1.00 0.00 N ATOM 1157 CA GLY A 76 -2.953 -12.696 -5.503 1.00 0.00 C ATOM 1158 C GLY A 76 -3.862 -11.542 -6.000 1.00 0.00 C ATOM 1159 O GLY A 76 -3.506 -11.056 -7.054 1.00 0.00 O ATOM 0 H GLY A 76 -1.658 -11.734 -6.882 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.293 -13.665 -5.869 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.933 -12.755 -4.415 1.00 0.00 H new ATOM 1163 N LYS A 77 -4.913 -11.250 -5.174 1.00 0.00 N ATOM 1164 CA LYS A 77 -5.746 -10.176 -5.645 1.00 0.00 C ATOM 1165 C LYS A 77 -6.920 -9.867 -4.756 1.00 0.00 C ATOM 1166 O LYS A 77 -7.815 -10.687 -4.584 1.00 0.00 O ATOM 1167 CB LYS A 77 -6.261 -10.663 -7.023 1.00 0.00 C ATOM 1168 CG LYS A 77 -7.536 -9.975 -7.433 1.00 0.00 C ATOM 1169 CD LYS A 77 -8.288 -10.670 -8.558 1.00 0.00 C ATOM 1170 CE LYS A 77 -9.236 -9.674 -9.253 1.00 0.00 C ATOM 1171 NZ LYS A 77 -9.264 -9.869 -10.698 1.00 0.00 N ATOM 0 H LYS A 77 -5.160 -11.697 -4.291 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.169 -9.251 -5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.496 -10.484 -7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.427 -11.740 -6.986 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.191 -9.902 -6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.302 -8.956 -7.743 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.582 -11.077 -9.281 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.858 -11.510 -8.161 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.243 -9.790 -8.851 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.919 -8.655 -9.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.338 -8.946 -11.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.390 -10.344 -11.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.084 -10.456 -10.953 1.00 0.00 H new ATOM 1185 N PHE A 78 -6.802 -8.631 -4.242 1.00 0.00 N ATOM 1186 CA PHE A 78 -7.838 -8.125 -3.352 1.00 0.00 C ATOM 1187 C PHE A 78 -8.329 -6.880 -4.097 1.00 0.00 C ATOM 1188 O PHE A 78 -7.718 -6.095 -4.773 1.00 0.00 O ATOM 1189 CB PHE A 78 -7.286 -7.825 -1.977 1.00 0.00 C ATOM 1190 CG PHE A 78 -6.443 -8.814 -1.270 1.00 0.00 C ATOM 1191 CD1 PHE A 78 -5.630 -9.760 -1.796 1.00 0.00 C ATOM 1192 CD2 PHE A 78 -6.410 -8.860 0.137 1.00 0.00 C ATOM 1193 CE1 PHE A 78 -4.895 -10.629 -1.005 1.00 0.00 C ATOM 1194 CE2 PHE A 78 -5.650 -9.755 0.868 1.00 0.00 C ATOM 1195 CZ PHE A 78 -4.879 -10.659 0.197 1.00 0.00 C ATOM 0 H PHE A 78 -6.028 -7.992 -4.423 1.00 0.00 H new ATOM 0 HA PHE A 78 -8.643 -8.832 -3.152 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.704 -6.907 -2.058 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -8.136 -7.607 -1.330 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.551 -9.840 -2.870 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -7.017 -8.151 0.680 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.276 -11.350 -1.519 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.666 -9.739 1.948 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.274 -11.378 0.728 1.00 0.00 H new ATOM 1205 N LYS A 79 -9.653 -6.797 -3.850 1.00 0.00 N ATOM 1206 CA LYS A 79 -10.399 -5.722 -4.414 1.00 0.00 C ATOM 1207 C LYS A 79 -11.424 -5.092 -3.486 1.00 0.00 C ATOM 1208 O LYS A 79 -11.980 -5.814 -2.669 1.00 0.00 O ATOM 1209 CB LYS A 79 -11.172 -6.398 -5.593 1.00 0.00 C ATOM 1210 CG LYS A 79 -11.722 -5.375 -6.546 1.00 0.00 C ATOM 1211 CD LYS A 79 -13.053 -5.705 -7.267 1.00 0.00 C ATOM 1212 CE LYS A 79 -12.984 -7.079 -7.943 1.00 0.00 C ATOM 1213 NZ LYS A 79 -14.109 -7.447 -8.787 1.00 0.00 N ATOM 0 H LYS A 79 -10.187 -7.452 -3.279 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.721 -4.911 -4.679 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.504 -7.074 -6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.987 -7.003 -5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.860 -4.444 -5.996 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.966 -5.186 -7.308 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.873 -5.689 -6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.267 -4.939 -8.012 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.078 -7.116 -8.548 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.879 -7.836 -7.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.948 -8.393 -9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.981 -7.454 -8.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.204 -6.757 -9.559 1.00 0.00 H new ATOM 1227 N ARG A 80 -11.596 -3.778 -3.706 1.00 0.00 N ATOM 1228 CA ARG A 80 -12.570 -3.118 -2.851 1.00 0.00 C ATOM 1229 C ARG A 80 -13.958 -2.985 -3.546 1.00 0.00 C ATOM 1230 O ARG A 80 -14.638 -2.069 -3.111 1.00 0.00 O ATOM 1231 CB ARG A 80 -12.077 -1.794 -2.251 1.00 0.00 C ATOM 1232 CG ARG A 80 -10.604 -1.555 -2.584 1.00 0.00 C ATOM 1233 CD ARG A 80 -9.956 -0.718 -1.479 1.00 0.00 C ATOM 1234 NE ARG A 80 -10.101 0.699 -1.731 1.00 0.00 N ATOM 1235 CZ ARG A 80 -11.147 1.416 -1.274 1.00 0.00 C ATOM 1236 NH1 ARG A 80 -12.112 0.856 -0.554 1.00 0.00 N ATOM 1237 NH2 ARG A 80 -11.116 2.718 -1.605 1.00 0.00 N ATOM 0 H ARG A 80 -11.120 -3.204 -4.402 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.703 -3.777 -1.993 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.679 -0.970 -2.636 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.211 -1.809 -1.169 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -10.084 -2.508 -2.684 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -10.516 -1.042 -3.542 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -10.410 -0.966 -0.520 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.898 -0.969 -1.405 1.00 0.00 H new ATOM 0 HE ARG A 80 -9.383 1.175 -2.277 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -12.073 -0.139 -0.335 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -12.893 1.421 -0.220 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -10.342 3.085 -2.159 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -11.867 3.339 -1.303 1.00 0.00 H new ATOM 1251 N VAL A 81 -14.119 -3.904 -4.486 1.00 0.00 N ATOM 1252 CA VAL A 81 -15.278 -4.066 -5.331 1.00 0.00 C ATOM 1253 C VAL A 81 -16.384 -3.032 -5.109 1.00 0.00 C ATOM 1254 O VAL A 81 -16.717 -2.379 -6.093 1.00 0.00 O ATOM 1255 CB VAL A 81 -15.822 -5.489 -5.187 1.00 0.00 C ATOM 1256 CG1 VAL A 81 -14.954 -6.355 -4.277 1.00 0.00 C ATOM 1257 CG2 VAL A 81 -17.223 -5.644 -4.557 1.00 0.00 C ATOM 0 H VAL A 81 -13.396 -4.595 -4.686 1.00 0.00 H new ATOM 0 HA VAL A 81 -14.937 -3.890 -6.351 1.00 0.00 H new ATOM 0 HB VAL A 81 -15.841 -5.791 -6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -15.383 -7.355 -4.208 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -13.947 -6.420 -4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -14.911 -5.909 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -17.488 -6.700 -4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -17.216 -5.230 -3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -17.956 -5.111 -5.163 1.00 0.00 H new ATOM 1267 N ASP A 82 -16.850 -2.972 -3.877 1.00 0.00 N ATOM 1268 CA ASP A 82 -17.895 -2.046 -3.501 1.00 0.00 C ATOM 1269 C ASP A 82 -17.609 -0.671 -4.072 1.00 0.00 C ATOM 1270 O ASP A 82 -18.563 0.071 -4.300 1.00 0.00 O ATOM 1271 CB ASP A 82 -17.953 -1.972 -1.967 1.00 0.00 C ATOM 1272 CG ASP A 82 -19.228 -1.291 -1.498 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -20.163 -1.121 -2.252 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -19.240 -0.941 -0.326 1.00 0.00 O ATOM 0 H ASP A 82 -16.516 -3.561 -3.114 1.00 0.00 H new ATOM 0 HA ASP A 82 -18.851 -2.390 -3.896 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.900 -2.977 -1.549 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -17.087 -1.425 -1.594 1.00 0.00 H new ATOM 1279 N ASN A 83 -16.296 -0.349 -4.298 1.00 0.00 N ATOM 1280 CA ASN A 83 -16.097 0.964 -4.833 1.00 0.00 C ATOM 1281 C ASN A 83 -14.692 1.404 -5.143 1.00 0.00 C ATOM 1282 O ASN A 83 -14.479 2.467 -5.749 1.00 0.00 O ATOM 1283 CB ASN A 83 -16.594 1.967 -3.745 1.00 0.00 C ATOM 1284 CG ASN A 83 -15.466 2.812 -3.174 1.00 0.00 C ATOM 1285 OD1 ASN A 83 -15.365 3.994 -3.476 1.00 0.00 O ATOM 1286 ND2 ASN A 83 -14.608 2.217 -2.357 1.00 0.00 N ATOM 0 H ASN A 83 -15.473 -0.927 -4.131 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.623 0.944 -5.787 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -17.351 2.621 -4.177 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -17.074 1.414 -2.938 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -13.833 2.746 -1.958 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -14.723 1.230 -2.127 1.00 0.00 H new ATOM 1293 N GLY A 84 -13.690 0.620 -4.758 1.00 0.00 N ATOM 1294 CA GLY A 84 -12.330 1.047 -5.040 1.00 0.00 C ATOM 1295 C GLY A 84 -11.924 0.287 -6.328 1.00 0.00 C ATOM 1296 O GLY A 84 -11.381 0.893 -7.212 1.00 0.00 O ATOM 0 H GLY A 84 -13.786 -0.272 -4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.278 2.126 -5.187 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.662 0.805 -4.213 1.00 0.00 H new ATOM 1300 N LYS A 85 -12.295 -1.000 -6.155 1.00 0.00 N ATOM 1301 CA LYS A 85 -12.089 -2.018 -7.137 1.00 0.00 C ATOM 1302 C LYS A 85 -10.780 -2.729 -7.007 1.00 0.00 C ATOM 1303 O LYS A 85 -10.370 -2.773 -5.825 1.00 0.00 O ATOM 1304 CB LYS A 85 -12.160 -1.338 -8.528 1.00 0.00 C ATOM 1305 CG LYS A 85 -12.516 -2.506 -9.481 1.00 0.00 C ATOM 1306 CD LYS A 85 -13.962 -2.383 -9.892 1.00 0.00 C ATOM 1307 CE LYS A 85 -14.167 -1.854 -11.309 1.00 0.00 C ATOM 1308 NZ LYS A 85 -13.892 -2.907 -12.290 1.00 0.00 N ATOM 0 H LYS A 85 -12.751 -1.338 -5.307 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.859 -2.777 -6.998 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.917 -0.554 -8.554 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.211 -0.874 -8.798 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.872 -2.484 -10.360 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.346 -3.462 -8.985 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -14.436 -3.361 -9.809 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -14.472 -1.721 -9.192 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -15.190 -1.496 -11.426 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -13.510 -1.003 -11.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -14.035 -2.533 -13.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.908 -3.229 -12.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -14.537 -3.707 -12.130 1.00 0.00 H new ATOM 1322 N GLU A 86 -10.157 -3.247 -8.061 1.00 0.00 N ATOM 1323 CA GLU A 86 -8.918 -3.920 -7.739 1.00 0.00 C ATOM 1324 C GLU A 86 -7.810 -3.006 -7.147 1.00 0.00 C ATOM 1325 O GLU A 86 -7.668 -1.990 -7.765 1.00 0.00 O ATOM 1326 CB GLU A 86 -8.321 -4.804 -8.811 1.00 0.00 C ATOM 1327 CG GLU A 86 -9.216 -5.088 -10.050 1.00 0.00 C ATOM 1328 CD GLU A 86 -8.665 -6.105 -11.021 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -7.608 -5.965 -11.641 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -9.327 -7.132 -11.195 1.00 0.00 O ATOM 0 H GLU A 86 -10.450 -3.221 -9.038 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.276 -4.588 -6.955 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.395 -4.344 -9.157 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.053 -5.758 -8.357 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.191 -5.431 -9.703 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.379 -4.151 -10.583 1.00 0.00 H new ATOM 1337 N LEU A 87 -7.285 -3.589 -6.094 1.00 0.00 N ATOM 1338 CA LEU A 87 -6.180 -3.059 -5.281 1.00 0.00 C ATOM 1339 C LEU A 87 -5.230 -4.193 -4.968 1.00 0.00 C ATOM 1340 O LEU A 87 -4.823 -4.435 -3.863 1.00 0.00 O ATOM 1341 CB LEU A 87 -6.627 -2.211 -4.092 1.00 0.00 C ATOM 1342 CG LEU A 87 -6.911 -0.749 -4.555 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -8.424 -0.534 -4.538 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -6.334 0.342 -3.665 1.00 0.00 C ATOM 0 H LEU A 87 -7.623 -4.489 -5.753 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.626 -2.319 -5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.524 -2.640 -3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.855 -2.214 -3.322 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.441 -0.662 -5.534 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.651 0.483 -4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.900 -1.243 -5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.802 -0.689 -3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.588 1.319 -4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.750 0.251 -2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.250 0.239 -3.619 1.00 0.00 H new ATOM 1356 N ILE A 88 -4.970 -4.818 -6.119 1.00 0.00 N ATOM 1357 CA ILE A 88 -4.079 -5.970 -6.147 1.00 0.00 C ATOM 1358 C ILE A 88 -2.728 -5.416 -5.656 1.00 0.00 C ATOM 1359 O ILE A 88 -2.600 -4.233 -5.455 1.00 0.00 O ATOM 1360 CB ILE A 88 -4.097 -6.446 -7.592 1.00 0.00 C ATOM 1361 CG1 ILE A 88 -5.540 -6.957 -7.873 1.00 0.00 C ATOM 1362 CG2 ILE A 88 -3.202 -7.559 -8.061 1.00 0.00 C ATOM 1363 CD1 ILE A 88 -5.788 -7.351 -9.334 1.00 0.00 C ATOM 0 H ILE A 88 -5.357 -4.550 -7.024 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.338 -6.825 -5.522 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.726 -5.569 -8.122 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.740 -7.819 -7.236 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.251 -6.180 -7.591 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.373 -7.741 -9.122 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.160 -7.279 -7.904 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.423 -8.465 -7.497 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.816 -7.696 -9.448 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.622 -6.487 -9.977 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.103 -8.150 -9.617 1.00 0.00 H new ATOM 1375 N ALA A 89 -1.859 -6.423 -5.530 1.00 0.00 N ATOM 1376 CA ALA A 89 -0.524 -6.158 -5.071 1.00 0.00 C ATOM 1377 C ALA A 89 0.418 -6.996 -5.893 1.00 0.00 C ATOM 1378 O ALA A 89 1.170 -7.727 -5.288 1.00 0.00 O ATOM 1379 CB ALA A 89 -0.461 -6.471 -3.545 1.00 0.00 C ATOM 0 H ALA A 89 -2.063 -7.401 -5.737 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.233 -5.115 -5.196 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.546 -6.276 -3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.172 -5.838 -3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.713 -7.518 -3.378 1.00 0.00 H new ATOM 1385 N VAL A 90 0.261 -6.780 -7.188 1.00 0.00 N ATOM 1386 CA VAL A 90 1.144 -7.521 -8.063 1.00 0.00 C ATOM 1387 C VAL A 90 2.533 -7.101 -7.502 1.00 0.00 C ATOM 1388 O VAL A 90 2.843 -5.926 -7.635 1.00 0.00 O ATOM 1389 CB VAL A 90 1.053 -7.057 -9.495 1.00 0.00 C ATOM 1390 CG1 VAL A 90 2.442 -7.063 -10.185 1.00 0.00 C ATOM 1391 CG2 VAL A 90 0.261 -7.961 -10.435 1.00 0.00 C ATOM 0 H VAL A 90 -0.411 -6.152 -7.628 1.00 0.00 H new ATOM 0 HA VAL A 90 0.926 -8.589 -8.078 1.00 0.00 H new ATOM 0 HB VAL A 90 0.582 -6.082 -9.375 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.338 -6.723 -11.215 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.117 -6.396 -9.649 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.848 -8.074 -10.176 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.260 -7.532 -11.437 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.721 -8.949 -10.463 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.765 -8.049 -10.077 1.00 0.00 H new ATOM 1401 N ARG A 91 3.226 -8.085 -6.903 1.00 0.00 N ATOM 1402 CA ARG A 91 4.458 -7.553 -6.376 1.00 0.00 C ATOM 1403 C ARG A 91 5.559 -8.562 -6.302 1.00 0.00 C ATOM 1404 O ARG A 91 5.273 -9.735 -6.321 1.00 0.00 O ATOM 1405 CB ARG A 91 4.151 -7.005 -4.959 1.00 0.00 C ATOM 1406 CG ARG A 91 5.293 -6.910 -4.003 1.00 0.00 C ATOM 1407 CD ARG A 91 4.867 -6.881 -2.523 1.00 0.00 C ATOM 1408 NE ARG A 91 3.617 -6.160 -2.352 1.00 0.00 N ATOM 1409 CZ ARG A 91 2.825 -6.270 -1.298 1.00 0.00 C ATOM 1410 NH1 ARG A 91 3.189 -7.102 -0.300 1.00 0.00 N ATOM 1411 NH2 ARG A 91 1.687 -5.601 -1.177 1.00 0.00 N ATOM 0 H ARG A 91 3.002 -9.074 -6.788 1.00 0.00 H new ATOM 0 HA ARG A 91 4.815 -6.775 -7.051 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.718 -6.011 -5.068 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.386 -7.639 -4.510 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.959 -7.758 -4.163 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.865 -6.009 -4.224 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.756 -7.900 -2.153 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.647 -6.409 -1.926 1.00 0.00 H new ATOM 0 HE ARG A 91 3.330 -5.525 -3.097 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.059 -7.630 -0.368 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.594 -7.203 0.522 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.387 -4.967 -1.917 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.111 -5.721 -0.344 1.00 0.00 H new ATOM 1425 N GLU A 92 6.757 -7.931 -6.229 1.00 0.00 N ATOM 1426 CA GLU A 92 7.932 -8.782 -6.164 1.00 0.00 C ATOM 1427 C GLU A 92 9.113 -7.976 -5.617 1.00 0.00 C ATOM 1428 O GLU A 92 9.236 -6.854 -6.074 1.00 0.00 O ATOM 1429 CB GLU A 92 8.169 -9.168 -7.620 1.00 0.00 C ATOM 1430 CG GLU A 92 7.208 -8.523 -8.665 1.00 0.00 C ATOM 1431 CD GLU A 92 7.775 -8.777 -10.042 1.00 0.00 C ATOM 1432 OE1 GLU A 92 8.634 -9.654 -10.128 1.00 0.00 O ATOM 1433 OE2 GLU A 92 7.343 -8.095 -10.989 1.00 0.00 O ATOM 0 H GLU A 92 6.915 -6.923 -6.215 1.00 0.00 H new ATOM 0 HA GLU A 92 7.813 -9.650 -5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.192 -8.901 -7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.091 -10.252 -7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.209 -8.951 -8.579 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.112 -7.452 -8.484 1.00 0.00 H new ATOM 1440 N ILE A 93 9.801 -8.677 -4.718 1.00 0.00 N ATOM 1441 CA ILE A 93 10.951 -8.081 -4.083 1.00 0.00 C ATOM 1442 C ILE A 93 12.068 -7.874 -5.097 1.00 0.00 C ATOM 1443 O ILE A 93 12.429 -8.889 -5.723 1.00 0.00 O ATOM 1444 CB ILE A 93 11.439 -8.841 -2.823 1.00 0.00 C ATOM 1445 CG1 ILE A 93 10.264 -9.207 -1.919 1.00 0.00 C ATOM 1446 CG2 ILE A 93 12.307 -7.902 -1.992 1.00 0.00 C ATOM 1447 CD1 ILE A 93 9.725 -8.101 -0.997 1.00 0.00 C ATOM 0 H ILE A 93 9.583 -9.630 -4.426 1.00 0.00 H new ATOM 0 HA ILE A 93 10.632 -7.107 -3.711 1.00 0.00 H new ATOM 0 HB ILE A 93 11.969 -9.733 -3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.445 -9.552 -2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.564 -10.051 -1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.658 -8.423 -1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 93 13.163 -7.579 -2.584 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.721 -7.032 -1.696 1.00 0.00 H new ATOM 0 HD11 ILE A 93 8.894 -8.490 -0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.518 -7.767 -0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.381 -7.260 -1.600 1.00 0.00 H new ATOM 1459 N SER A 94 12.510 -6.625 -5.179 1.00 0.00 N ATOM 1460 CA SER A 94 13.569 -6.409 -6.135 1.00 0.00 C ATOM 1461 C SER A 94 14.911 -6.878 -5.647 1.00 0.00 C ATOM 1462 O SER A 94 15.489 -7.808 -6.195 1.00 0.00 O ATOM 1463 CB SER A 94 13.609 -4.910 -6.523 1.00 0.00 C ATOM 1464 OG SER A 94 14.606 -4.596 -7.440 1.00 0.00 O ATOM 0 H SER A 94 12.185 -5.818 -4.646 1.00 0.00 H new ATOM 0 HA SER A 94 13.348 -7.013 -7.015 1.00 0.00 H new ATOM 0 HB2 SER A 94 12.642 -4.626 -6.939 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.756 -4.314 -5.622 1.00 0.00 H new ATOM 0 HG SER A 94 14.574 -3.638 -7.642 1.00 0.00 H new ATOM 1470 N GLY A 95 15.404 -6.214 -4.600 1.00 0.00 N ATOM 1471 CA GLY A 95 16.703 -6.661 -4.137 1.00 0.00 C ATOM 1472 C GLY A 95 17.016 -5.860 -2.843 1.00 0.00 C ATOM 1473 O GLY A 95 17.757 -4.914 -2.754 1.00 0.00 O ATOM 0 H GLY A 95 14.969 -5.438 -4.101 1.00 0.00 H new ATOM 0 HA2 GLY A 95 16.695 -7.732 -3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 95 17.466 -6.485 -4.895 1.00 0.00 H new ATOM 1477 N ASN A 96 16.307 -6.431 -1.858 1.00 0.00 N ATOM 1478 CA ASN A 96 16.353 -5.952 -0.489 1.00 0.00 C ATOM 1479 C ASN A 96 15.440 -4.704 -0.375 1.00 0.00 C ATOM 1480 O ASN A 96 15.702 -3.863 0.483 1.00 0.00 O ATOM 1481 CB ASN A 96 17.785 -5.712 -0.073 1.00 0.00 C ATOM 1482 CG ASN A 96 18.030 -6.143 1.380 1.00 0.00 C ATOM 1483 OD1 ASN A 96 17.515 -7.132 1.859 1.00 0.00 O ATOM 1484 ND2 ASN A 96 18.860 -5.297 2.006 1.00 0.00 N ATOM 0 H ASN A 96 15.692 -7.233 -1.998 1.00 0.00 H new ATOM 0 HA ASN A 96 15.969 -6.696 0.209 1.00 0.00 H new ATOM 0 HB2 ASN A 96 18.454 -6.263 -0.734 1.00 0.00 H new ATOM 0 HB3 ASN A 96 18.025 -4.655 -0.185 1.00 0.00 H new ATOM 0 HD21 ASN A 96 19.113 -5.459 2.981 1.00 0.00 H new ATOM 0 HD22 ASN A 96 19.239 -4.492 1.508 1.00 0.00 H new ATOM 1491 N GLU A 97 14.454 -4.752 -1.278 1.00 0.00 N ATOM 1492 CA GLU A 97 13.440 -3.730 -1.395 1.00 0.00 C ATOM 1493 C GLU A 97 12.320 -4.269 -2.345 1.00 0.00 C ATOM 1494 O GLU A 97 12.660 -4.929 -3.288 1.00 0.00 O ATOM 1495 CB GLU A 97 13.888 -2.324 -1.650 1.00 0.00 C ATOM 1496 CG GLU A 97 15.239 -2.209 -2.355 1.00 0.00 C ATOM 1497 CD GLU A 97 15.180 -2.701 -3.799 1.00 0.00 C ATOM 1498 OE1 GLU A 97 14.580 -1.964 -4.597 1.00 0.00 O ATOM 1499 OE2 GLU A 97 15.694 -3.754 -4.129 1.00 0.00 O ATOM 0 H GLU A 97 14.348 -5.513 -1.948 1.00 0.00 H new ATOM 0 HA GLU A 97 13.032 -3.568 -0.398 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.133 -1.819 -2.253 1.00 0.00 H new ATOM 0 HB3 GLU A 97 13.942 -1.795 -0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.567 -1.170 -2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 97 15.983 -2.786 -1.806 1.00 0.00 H new ATOM 1506 N LEU A 98 11.149 -3.834 -1.862 1.00 0.00 N ATOM 1507 CA LEU A 98 9.858 -4.105 -2.437 1.00 0.00 C ATOM 1508 C LEU A 98 9.255 -2.887 -3.148 1.00 0.00 C ATOM 1509 O LEU A 98 9.231 -1.775 -2.659 1.00 0.00 O ATOM 1510 CB LEU A 98 9.017 -4.506 -1.190 1.00 0.00 C ATOM 1511 CG LEU A 98 7.803 -5.338 -1.540 1.00 0.00 C ATOM 1512 CD1 LEU A 98 7.481 -6.279 -0.399 1.00 0.00 C ATOM 1513 CD2 LEU A 98 6.638 -4.307 -1.636 1.00 0.00 C ATOM 0 H LEU A 98 11.091 -3.259 -1.021 1.00 0.00 H new ATOM 0 HA LEU A 98 9.896 -4.869 -3.214 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.647 -5.065 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.695 -3.604 -0.670 1.00 0.00 H new ATOM 0 HG LEU A 98 7.958 -5.919 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.606 -6.876 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.330 -6.938 -0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.274 -5.701 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.713 -4.826 -1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.521 -3.800 -0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.864 -3.573 -2.410 1.00 0.00 H new ATOM 1525 N ILE A 99 8.779 -3.262 -4.366 1.00 0.00 N ATOM 1526 CA ILE A 99 8.155 -2.372 -5.284 1.00 0.00 C ATOM 1527 C ILE A 99 6.739 -2.114 -4.712 1.00 0.00 C ATOM 1528 O ILE A 99 6.598 -0.970 -4.353 1.00 0.00 O ATOM 1529 CB ILE A 99 8.110 -3.074 -6.656 1.00 0.00 C ATOM 1530 CG1 ILE A 99 9.565 -2.948 -7.187 1.00 0.00 C ATOM 1531 CG2 ILE A 99 7.230 -2.252 -7.581 1.00 0.00 C ATOM 1532 CD1 ILE A 99 9.715 -3.148 -8.671 1.00 0.00 C ATOM 0 H ILE A 99 8.837 -4.221 -4.710 1.00 0.00 H new ATOM 0 HA ILE A 99 8.678 -1.425 -5.413 1.00 0.00 H new ATOM 0 HB ILE A 99 7.743 -4.099 -6.598 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.947 -1.961 -6.927 1.00 0.00 H new ATOM 0 HG13 ILE A 99 10.189 -3.678 -6.671 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.183 -2.730 -8.559 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.226 -2.184 -7.162 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.648 -1.251 -7.686 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.764 -3.041 -8.948 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.368 -4.145 -8.941 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.122 -2.402 -9.200 1.00 0.00 H new ATOM 1544 N GLN A 100 5.949 -3.208 -4.729 1.00 0.00 N ATOM 1545 CA GLN A 100 4.586 -3.146 -4.237 1.00 0.00 C ATOM 1546 C GLN A 100 3.877 -2.368 -5.377 1.00 0.00 C ATOM 1547 O GLN A 100 3.826 -1.169 -5.419 1.00 0.00 O ATOM 1548 CB GLN A 100 4.453 -2.382 -2.928 1.00 0.00 C ATOM 1549 CG GLN A 100 3.580 -2.924 -1.811 1.00 0.00 C ATOM 1550 CD GLN A 100 2.636 -1.767 -1.371 1.00 0.00 C ATOM 1551 OE1 GLN A 100 1.415 -1.871 -1.286 1.00 0.00 O ATOM 1552 NE2 GLN A 100 3.307 -0.619 -1.086 1.00 0.00 N ATOM 0 H GLN A 100 6.239 -4.123 -5.075 1.00 0.00 H new ATOM 0 HA GLN A 100 4.180 -4.133 -4.018 1.00 0.00 H new ATOM 0 HB2 GLN A 100 5.457 -2.259 -2.522 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.084 -1.386 -3.172 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.004 -3.783 -2.154 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.190 -3.263 -0.974 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.323 -0.587 -1.173 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.795 0.210 -0.785 1.00 0.00 H new ATOM 1561 N THR A 101 3.372 -3.263 -6.231 1.00 0.00 N ATOM 1562 CA THR A 101 2.656 -2.845 -7.390 1.00 0.00 C ATOM 1563 C THR A 101 1.183 -3.169 -7.335 1.00 0.00 C ATOM 1564 O THR A 101 0.788 -4.288 -7.157 1.00 0.00 O ATOM 1565 CB THR A 101 3.204 -3.393 -8.728 1.00 0.00 C ATOM 1566 OG1 THR A 101 4.482 -3.920 -8.652 1.00 0.00 O ATOM 1567 CG2 THR A 101 3.051 -2.423 -9.914 1.00 0.00 C ATOM 0 H THR A 101 3.457 -4.274 -6.123 1.00 0.00 H new ATOM 0 HA THR A 101 2.805 -1.765 -7.371 1.00 0.00 H new ATOM 0 HB THR A 101 2.548 -4.237 -8.938 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.444 -4.816 -8.256 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.459 -2.882 -10.814 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.995 -2.200 -10.067 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.590 -1.500 -9.701 1.00 0.00 H new ATOM 1575 N TYR A 102 0.436 -2.072 -7.503 1.00 0.00 N ATOM 1576 CA TYR A 102 -1.003 -2.284 -7.464 1.00 0.00 C ATOM 1577 C TYR A 102 -1.398 -2.523 -8.957 1.00 0.00 C ATOM 1578 O TYR A 102 -0.663 -1.968 -9.741 1.00 0.00 O ATOM 1579 CB TYR A 102 -1.692 -1.061 -6.965 1.00 0.00 C ATOM 1580 CG TYR A 102 -1.608 -0.855 -5.486 1.00 0.00 C ATOM 1581 CD1 TYR A 102 -2.478 -1.326 -4.541 1.00 0.00 C ATOM 1582 CD2 TYR A 102 -0.540 -0.114 -4.998 1.00 0.00 C ATOM 1583 CE1 TYR A 102 -2.288 -1.066 -3.203 1.00 0.00 C ATOM 1584 CE2 TYR A 102 -0.384 0.125 -3.658 1.00 0.00 C ATOM 1585 CZ TYR A 102 -1.170 -0.298 -2.839 1.00 0.00 C ATOM 1586 OH TYR A 102 -0.966 -0.028 -1.490 1.00 0.00 O ATOM 0 H TYR A 102 0.766 -1.119 -7.653 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.281 -3.109 -6.808 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.265 -0.191 -7.464 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -2.742 -1.110 -7.252 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -3.330 -1.913 -4.851 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.186 0.284 -5.692 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.975 -1.440 -2.458 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.462 0.706 -3.323 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.197 -0.542 -1.166 1.00 0.00 H new ATOM 1596 N THR A 103 -2.485 -3.296 -9.138 1.00 0.00 N ATOM 1597 CA THR A 103 -2.947 -3.591 -10.491 1.00 0.00 C ATOM 1598 C THR A 103 -4.466 -3.394 -10.459 1.00 0.00 C ATOM 1599 O THR A 103 -5.335 -4.238 -10.533 1.00 0.00 O ATOM 1600 CB THR A 103 -2.491 -4.953 -10.978 1.00 0.00 C ATOM 1601 OG1 THR A 103 -1.225 -4.988 -11.619 1.00 0.00 O ATOM 1602 CG2 THR A 103 -3.389 -5.696 -11.986 1.00 0.00 C ATOM 0 H THR A 103 -3.038 -3.711 -8.388 1.00 0.00 H new ATOM 0 HA THR A 103 -2.506 -2.922 -11.230 1.00 0.00 H new ATOM 0 HB THR A 103 -2.502 -5.439 -10.003 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.264 -5.596 -12.387 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.935 -6.653 -12.242 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.370 -5.867 -11.542 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.499 -5.094 -12.888 1.00 0.00 H new ATOM 1610 N TYR A 104 -4.686 -2.063 -10.334 1.00 0.00 N ATOM 1611 CA TYR A 104 -6.066 -1.585 -10.275 1.00 0.00 C ATOM 1612 C TYR A 104 -6.603 -1.303 -11.644 1.00 0.00 C ATOM 1613 O TYR A 104 -6.047 -0.476 -12.393 1.00 0.00 O ATOM 1614 CB TYR A 104 -5.971 -0.393 -9.297 1.00 0.00 C ATOM 1615 CG TYR A 104 -7.178 0.476 -9.170 1.00 0.00 C ATOM 1616 CD1 TYR A 104 -8.428 0.175 -9.663 1.00 0.00 C ATOM 1617 CD2 TYR A 104 -7.093 1.701 -8.508 1.00 0.00 C ATOM 1618 CE1 TYR A 104 -9.500 1.050 -9.492 1.00 0.00 C ATOM 1619 CE2 TYR A 104 -8.206 2.498 -8.389 1.00 0.00 C ATOM 1620 CZ TYR A 104 -9.286 2.231 -8.817 1.00 0.00 C ATOM 1621 OH TYR A 104 -10.325 3.120 -8.627 1.00 0.00 O ATOM 0 H TYR A 104 -3.963 -1.345 -10.276 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.800 -2.303 -9.910 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.729 -0.784 -8.309 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -5.134 0.233 -9.606 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.581 -0.755 -10.191 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.151 2.023 -8.089 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -10.478 0.807 -9.881 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.094 3.437 -7.868 1.00 0.00 H new ATOM 0 HH TYR A 104 -11.029 2.692 -8.097 1.00 0.00 H new ATOM 1631 N GLU A 105 -7.698 -1.974 -12.018 1.00 0.00 N ATOM 1632 CA GLU A 105 -8.334 -1.811 -13.317 1.00 0.00 C ATOM 1633 C GLU A 105 -7.319 -2.072 -14.428 1.00 0.00 C ATOM 1634 O GLU A 105 -7.246 -3.196 -14.925 1.00 0.00 O ATOM 1635 CB GLU A 105 -8.902 -0.395 -13.405 1.00 0.00 C ATOM 1636 CG GLU A 105 -10.262 -0.397 -12.647 1.00 0.00 C ATOM 1637 CD GLU A 105 -11.245 0.563 -13.245 1.00 0.00 C ATOM 1638 OE1 GLU A 105 -11.442 0.647 -14.467 1.00 0.00 O ATOM 1639 OE2 GLU A 105 -11.859 1.273 -12.428 1.00 0.00 O ATOM 0 H GLU A 105 -8.167 -2.651 -11.417 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.147 -2.528 -13.437 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.214 0.324 -12.960 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.042 -0.100 -14.445 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.683 -1.402 -12.663 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.094 -0.138 -11.602 1.00 0.00 H new ATOM 1646 N GLY A 106 -6.531 -1.031 -14.819 1.00 0.00 N ATOM 1647 CA GLY A 106 -5.569 -1.285 -15.871 1.00 0.00 C ATOM 1648 C GLY A 106 -4.324 -0.425 -15.811 1.00 0.00 C ATOM 1649 O GLY A 106 -3.753 0.027 -16.809 1.00 0.00 O ATOM 0 H GLY A 106 -6.552 -0.084 -14.441 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -5.273 -2.333 -15.828 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -6.055 -1.130 -16.834 1.00 0.00 H new ATOM 1653 N VAL A 107 -3.891 -0.189 -14.553 1.00 0.00 N ATOM 1654 CA VAL A 107 -2.718 0.614 -14.297 1.00 0.00 C ATOM 1655 C VAL A 107 -1.779 0.053 -13.233 1.00 0.00 C ATOM 1656 O VAL A 107 -2.293 -0.608 -12.339 1.00 0.00 O ATOM 1657 CB VAL A 107 -3.229 1.980 -13.788 1.00 0.00 C ATOM 1658 CG1 VAL A 107 -2.052 2.878 -13.461 1.00 0.00 C ATOM 1659 CG2 VAL A 107 -4.079 2.672 -14.845 1.00 0.00 C ATOM 0 H VAL A 107 -4.347 -0.550 -13.715 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.143 0.657 -15.222 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.833 1.801 -12.899 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.417 3.840 -13.102 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.441 2.411 -12.688 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.450 3.029 -14.357 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.426 3.631 -14.462 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.482 2.834 -15.743 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.938 2.046 -15.088 1.00 0.00 H new ATOM 1669 N GLU A 108 -0.479 0.364 -13.418 1.00 0.00 N ATOM 1670 CA GLU A 108 0.529 -0.112 -12.455 1.00 0.00 C ATOM 1671 C GLU A 108 1.253 1.145 -11.980 1.00 0.00 C ATOM 1672 O GLU A 108 2.059 1.642 -12.758 1.00 0.00 O ATOM 1673 CB GLU A 108 1.487 -1.122 -13.052 1.00 0.00 C ATOM 1674 CG GLU A 108 0.740 -2.472 -13.248 1.00 0.00 C ATOM 1675 CD GLU A 108 0.131 -2.552 -14.622 1.00 0.00 C ATOM 1676 OE1 GLU A 108 -0.279 -1.506 -15.133 1.00 0.00 O ATOM 1677 OE2 GLU A 108 0.070 -3.661 -15.174 1.00 0.00 O ATOM 0 H GLU A 108 -0.115 0.919 -14.192 1.00 0.00 H new ATOM 0 HA GLU A 108 0.057 -0.648 -11.632 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.869 -0.761 -14.007 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.347 -1.259 -12.396 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.433 -3.301 -13.104 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.040 -2.574 -12.493 1.00 0.00 H new ATOM 1684 N ALA A 109 0.912 1.562 -10.744 1.00 0.00 N ATOM 1685 CA ALA A 109 1.594 2.728 -10.324 1.00 0.00 C ATOM 1686 C ALA A 109 2.797 2.439 -9.367 1.00 0.00 C ATOM 1687 O ALA A 109 3.703 3.235 -9.489 1.00 0.00 O ATOM 1688 CB ALA A 109 0.617 3.376 -9.334 1.00 0.00 C ATOM 0 H ALA A 109 0.239 1.141 -10.103 1.00 0.00 H new ATOM 0 HA ALA A 109 1.918 3.271 -11.212 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.051 4.297 -8.944 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -0.319 3.604 -9.843 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.424 2.689 -8.510 1.00 0.00 H new ATOM 1694 N LYS A 110 2.527 1.379 -8.643 1.00 0.00 N ATOM 1695 CA LYS A 110 3.445 0.883 -7.684 1.00 0.00 C ATOM 1696 C LYS A 110 3.995 1.995 -6.817 1.00 0.00 C ATOM 1697 O LYS A 110 3.500 2.153 -5.694 1.00 0.00 O ATOM 1698 CB LYS A 110 4.684 0.149 -8.273 1.00 0.00 C ATOM 1699 CG LYS A 110 4.849 0.484 -9.743 1.00 0.00 C ATOM 1700 CD LYS A 110 5.909 -0.426 -10.410 1.00 0.00 C ATOM 1701 CE LYS A 110 6.332 0.002 -11.811 1.00 0.00 C ATOM 1702 NZ LYS A 110 7.742 0.385 -11.930 1.00 0.00 N ATOM 0 H LYS A 110 1.660 0.846 -8.713 1.00 0.00 H new ATOM 0 HA LYS A 110 2.847 0.167 -7.120 1.00 0.00 H new ATOM 0 HB2 LYS A 110 5.581 0.439 -7.725 1.00 0.00 H new ATOM 0 HB3 LYS A 110 4.569 -0.928 -8.150 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.893 0.368 -10.254 1.00 0.00 H new ATOM 0 HG3 LYS A 110 5.143 1.528 -9.850 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.793 -0.457 -9.773 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.516 -1.441 -10.459 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.131 -0.816 -12.503 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.713 0.843 -12.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.945 0.661 -12.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.939 1.186 -11.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.344 -0.421 -11.666 1.00 0.00 H new ATOM 1716 N ARG A 111 4.971 2.689 -7.374 1.00 0.00 N ATOM 1717 CA ARG A 111 5.590 3.794 -6.622 1.00 0.00 C ATOM 1718 C ARG A 111 6.499 2.971 -5.656 1.00 0.00 C ATOM 1719 O ARG A 111 6.099 2.630 -4.575 1.00 0.00 O ATOM 1720 CB ARG A 111 4.615 4.696 -5.924 1.00 0.00 C ATOM 1721 CG ARG A 111 3.243 4.823 -6.607 1.00 0.00 C ATOM 1722 CD ARG A 111 2.772 6.277 -6.489 1.00 0.00 C ATOM 1723 NE ARG A 111 2.240 6.457 -5.151 1.00 0.00 N ATOM 1724 CZ ARG A 111 2.101 7.654 -4.561 1.00 0.00 C ATOM 1725 NH1 ARG A 111 2.469 8.762 -5.228 1.00 0.00 N ATOM 1726 NH2 ARG A 111 1.611 7.773 -3.342 1.00 0.00 N ATOM 0 H ARG A 111 5.349 2.526 -8.307 1.00 0.00 H new ATOM 0 HA ARG A 111 6.115 4.522 -7.240 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.466 4.329 -4.909 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.057 5.689 -5.842 1.00 0.00 H new ATOM 0 HG2 ARG A 111 3.314 4.532 -7.655 1.00 0.00 H new ATOM 0 HG3 ARG A 111 2.523 4.153 -6.138 1.00 0.00 H new ATOM 0 HD2 ARG A 111 3.599 6.964 -6.668 1.00 0.00 H new ATOM 0 HD3 ARG A 111 2.010 6.495 -7.237 1.00 0.00 H new ATOM 0 HE ARG A 111 1.956 5.627 -4.630 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.849 8.687 -6.172 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.368 9.678 -4.790 1.00 0.00 H new ATOM 0 HH21 ARG A 111 1.327 6.942 -2.823 1.00 0.00 H new ATOM 0 HH22 ARG A 111 1.517 8.696 -2.918 1.00 0.00 H new ATOM 1740 N ILE A 112 7.693 2.758 -6.256 1.00 0.00 N ATOM 1741 CA ILE A 112 8.634 2.004 -5.477 1.00 0.00 C ATOM 1742 C ILE A 112 9.097 2.709 -4.209 1.00 0.00 C ATOM 1743 O ILE A 112 8.986 3.905 -4.106 1.00 0.00 O ATOM 1744 CB ILE A 112 9.823 1.564 -6.334 1.00 0.00 C ATOM 1745 CG1 ILE A 112 10.532 2.819 -6.851 1.00 0.00 C ATOM 1746 CG2 ILE A 112 9.426 0.791 -7.577 1.00 0.00 C ATOM 1747 CD1 ILE A 112 12.051 2.652 -6.905 1.00 0.00 C ATOM 0 H ILE A 112 7.987 3.070 -7.182 1.00 0.00 H new ATOM 0 HA ILE A 112 8.097 1.119 -5.136 1.00 0.00 H new ATOM 0 HB ILE A 112 10.437 0.927 -5.697 1.00 0.00 H new ATOM 0 HG12 ILE A 112 10.160 3.058 -7.847 1.00 0.00 H new ATOM 0 HG13 ILE A 112 10.285 3.663 -6.207 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.321 0.513 -8.134 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.884 -0.109 -7.288 1.00 0.00 H new ATOM 0 HG23 ILE A 112 8.787 1.413 -8.204 1.00 0.00 H new ATOM 0 HD11 ILE A 112 12.505 3.570 -7.278 1.00 0.00 H new ATOM 0 HD12 ILE A 112 12.430 2.441 -5.905 1.00 0.00 H new ATOM 0 HD13 ILE A 112 12.303 1.826 -7.570 1.00 0.00 H new ATOM 1759 N PHE A 113 9.578 1.803 -3.361 1.00 0.00 N ATOM 1760 CA PHE A 113 10.099 2.179 -2.070 1.00 0.00 C ATOM 1761 C PHE A 113 11.270 1.212 -1.812 1.00 0.00 C ATOM 1762 O PHE A 113 11.850 0.855 -2.827 1.00 0.00 O ATOM 1763 CB PHE A 113 9.138 2.135 -0.913 1.00 0.00 C ATOM 1764 CG PHE A 113 7.804 2.764 -1.105 1.00 0.00 C ATOM 1765 CD1 PHE A 113 6.739 2.017 -1.595 1.00 0.00 C ATOM 1766 CD2 PHE A 113 7.466 4.076 -0.838 1.00 0.00 C ATOM 1767 CE1 PHE A 113 5.527 2.638 -1.754 1.00 0.00 C ATOM 1768 CE2 PHE A 113 6.189 4.615 -1.039 1.00 0.00 C ATOM 1769 CZ PHE A 113 5.273 3.951 -1.468 1.00 0.00 C ATOM 0 H PHE A 113 9.613 0.802 -3.555 1.00 0.00 H new ATOM 0 HA PHE A 113 10.374 3.233 -2.117 1.00 0.00 H new ATOM 0 HB2 PHE A 113 8.982 1.090 -0.645 1.00 0.00 H new ATOM 0 HB3 PHE A 113 9.617 2.615 -0.059 1.00 0.00 H new ATOM 0 HD1 PHE A 113 6.863 0.974 -1.844 1.00 0.00 H new ATOM 0 HD2 PHE A 113 8.235 4.728 -0.450 1.00 0.00 H new ATOM 0 HE1 PHE A 113 4.709 2.044 -2.135 1.00 0.00 H new ATOM 0 HE2 PHE A 113 6.017 5.655 -0.804 1.00 0.00 H new ATOM 0 HZ PHE A 113 4.293 4.379 -1.619 1.00 0.00 H new ATOM 1779 N LYS A 114 11.463 0.916 -0.542 1.00 0.00 N ATOM 1780 CA LYS A 114 12.553 0.021 -0.205 1.00 0.00 C ATOM 1781 C LYS A 114 12.480 -0.455 1.246 1.00 0.00 C ATOM 1782 O LYS A 114 11.468 -0.757 1.807 1.00 0.00 O ATOM 1783 CB LYS A 114 13.881 0.644 -0.625 1.00 0.00 C ATOM 1784 CG LYS A 114 14.393 1.773 0.281 1.00 0.00 C ATOM 1785 CD LYS A 114 13.188 2.501 0.947 1.00 0.00 C ATOM 1786 CE LYS A 114 13.491 3.936 1.479 1.00 0.00 C ATOM 1787 NZ LYS A 114 13.085 4.252 2.824 1.00 0.00 N ATOM 0 H LYS A 114 10.909 1.262 0.241 1.00 0.00 H new ATOM 0 HA LYS A 114 12.461 -0.903 -0.776 1.00 0.00 H new ATOM 0 HB2 LYS A 114 14.636 -0.141 -0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 114 13.777 1.033 -1.638 1.00 0.00 H new ATOM 0 HG2 LYS A 114 15.053 1.366 1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 114 14.981 2.482 -0.302 1.00 0.00 H new ATOM 0 HD2 LYS A 114 12.376 2.563 0.222 1.00 0.00 H new ATOM 0 HD3 LYS A 114 12.829 1.892 1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 114 14.566 4.100 1.406 1.00 0.00 H new ATOM 0 HE3 LYS A 114 13.013 4.650 0.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.270 5.257 3.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 12.069 4.060 2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 13.622 3.667 3.495 1.00 0.00 H new ATOM 1801 N LYS A 115 13.669 -0.540 1.844 1.00 0.00 N ATOM 1802 CA LYS A 115 13.903 -0.954 3.206 1.00 0.00 C ATOM 1803 C LYS A 115 14.844 0.010 3.909 1.00 0.00 C ATOM 1804 O LYS A 115 15.649 0.679 3.299 1.00 0.00 O ATOM 1805 CB LYS A 115 14.506 -2.356 3.125 1.00 0.00 C ATOM 1806 CG LYS A 115 14.304 -3.047 4.499 1.00 0.00 C ATOM 1807 CD LYS A 115 15.374 -4.144 4.641 1.00 0.00 C ATOM 1808 CE LYS A 115 14.790 -5.535 4.815 1.00 0.00 C ATOM 1809 NZ LYS A 115 15.771 -6.577 4.980 1.00 0.00 N ATOM 0 H LYS A 115 14.533 -0.307 1.355 1.00 0.00 H new ATOM 0 HA LYS A 115 12.980 -0.958 3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 115 14.025 -2.932 2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.566 -2.301 2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.393 -2.321 5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.305 -3.478 4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 115 16.014 -4.134 3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.008 -3.914 5.497 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.131 -5.533 5.683 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.173 -5.768 3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.290 -7.492 5.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.387 -6.610 4.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.346 -6.382 5.825 1.00 0.00 H new ATOM 1823 N GLU A 116 14.645 -0.001 5.239 1.00 0.00 N ATOM 1824 CA GLU A 116 15.457 0.847 6.069 1.00 0.00 C ATOM 1825 C GLU A 116 16.723 0.059 6.471 1.00 0.00 C ATOM 1826 O GLU A 116 17.140 0.034 7.611 1.00 0.00 O ATOM 1827 CB GLU A 116 14.630 1.109 7.332 1.00 0.00 C ATOM 1828 CG GLU A 116 15.159 2.280 8.151 1.00 0.00 C ATOM 1829 CD GLU A 116 14.747 3.637 7.573 1.00 0.00 C ATOM 1830 OE1 GLU A 116 13.634 3.740 7.031 1.00 0.00 O ATOM 1831 OE2 GLU A 116 15.570 4.553 7.691 1.00 0.00 O ATOM 1832 OXT GLU A 116 17.301 -0.553 5.586 1.00 0.00 O ATOM 0 H GLU A 116 13.954 -0.569 5.728 1.00 0.00 H new ATOM 0 HA GLU A 116 15.740 1.771 5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 116 13.596 1.307 7.049 1.00 0.00 H new ATOM 0 HB3 GLU A 116 14.625 0.211 7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 116 14.792 2.198 9.174 1.00 0.00 H new ATOM 0 HG3 GLU A 116 16.247 2.224 8.197 1.00 0.00 H new