USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 679 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 51 ASN : amide:sc= 0.49 K(o=0.49,f=-3.8!) USER MOD Set 1.2: A 54 CYS SG : rot -112:sc=0.000498 USER MOD Set 2.1: A 35 GLN : amide:sc= 1.16 K(o=1.9,f=-3.7) USER MOD Set 2.2: A 48 GLN : amide:sc= -0.226 K(o=1.9,f=-1.2!) USER MOD Set 2.3: A 49 ASN : amide:sc= 1.01 K(o=1.9,f=-4.7) USER MOD Set 3.1: A 25 TYR OH : rot -10:sc= 0.23 USER MOD Set 3.2: A 32 GLN :FLIP amide:sc= 0.11 F(o=-0.62!,f=0.35) USER MOD Set 3.3: A 39 ASN : amide:sc= 0.183 K(o=0.35,f=-5.1!) USER MOD Set 3.4: A 42 THR OG1 : rot -90:sc= -0.424 USER MOD Set 3.5: A 44 THR OG1 : rot 102:sc= 0.251 USER MOD Set 4.1: A 2 SER OG : rot 180:sc= 0.444 USER MOD Set 4.2: A 4 THR OG1 : rot -116:sc= 0.49 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= 1.1 (180deg=-0.441) USER MOD Single : A 5 SER OG : rot 180:sc= -0.243 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 168:sc= 1.22 (180deg=1.15) USER MOD Single : A 20 TYR OH : rot -166:sc= 0.0459 USER MOD Single : A 26 LYS NZ :NH3+ 159:sc= -0.0535 (180deg=-0.437) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0231 USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= 1.88 (180deg=1.53) USER MOD Single : A 41 MET CE :methyl -148:sc= 0 (180deg=-0.111) USER MOD Single : A 55 LYS NZ :NH3+ -150:sc= 1.55 (180deg=0.428) USER MOD Single : A 56 THR OG1 : rot 104:sc= 1.25 USER MOD Single : A 59 LYS NZ :NH3+ 172:sc= 1.19 (180deg=1.14) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0642 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 167:sc= -0.0665 (180deg=-0.298) USER MOD Single : A 72 THR OG1 : rot 102:sc= 0.983 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 82 HIS :FLIP no HD1:sc= -0.178 F(o=-0.73,f=-0.18) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.690 -3.470 6.734 1.00 0.00 N ATOM 2 CA MET A 1 -0.766 -3.254 5.277 1.00 0.00 C ATOM 3 C MET A 1 0.558 -2.693 4.778 1.00 0.00 C ATOM 4 O MET A 1 0.714 -1.479 4.696 1.00 0.00 O ATOM 5 CB MET A 1 -2.007 -2.436 4.866 1.00 0.00 C ATOM 6 CG MET A 1 -2.171 -1.063 5.540 1.00 0.00 C ATOM 7 SD MET A 1 -3.778 -0.295 5.221 1.00 0.00 S ATOM 8 CE MET A 1 -3.530 1.307 6.032 1.00 0.00 C ATOM 0 H1 MET A 1 -1.635 -3.353 7.152 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.343 -4.432 6.925 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.038 -2.777 7.154 1.00 0.00 H new ATOM 0 HA MET A 1 -0.914 -4.211 4.777 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.976 -2.286 3.787 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.895 -3.031 5.080 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.038 -1.176 6.616 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.382 -0.397 5.189 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.432 1.910 5.929 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.317 1.150 7.089 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.692 1.825 5.566 1.00 0.00 H new ATOM 20 N SER A 2 1.541 -3.551 4.499 1.00 0.00 N ATOM 21 CA SER A 2 2.874 -3.116 4.041 1.00 0.00 C ATOM 22 C SER A 2 3.646 -4.256 3.362 1.00 0.00 C ATOM 23 O SER A 2 3.472 -5.408 3.751 1.00 0.00 O ATOM 24 CB SER A 2 3.695 -2.563 5.221 1.00 0.00 C ATOM 25 OG SER A 2 3.640 -3.406 6.356 1.00 0.00 O ATOM 0 H SER A 2 1.443 -4.563 4.582 1.00 0.00 H new ATOM 0 HA SER A 2 2.720 -2.328 3.304 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.733 -2.440 4.912 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.323 -1.574 5.488 1.00 0.00 H new ATOM 0 HG SER A 2 4.176 -3.017 7.079 1.00 0.00 H new ATOM 31 N PRO A 3 4.516 -3.979 2.369 1.00 0.00 N ATOM 32 CA PRO A 3 5.332 -4.991 1.692 1.00 0.00 C ATOM 33 C PRO A 3 6.513 -5.426 2.583 1.00 0.00 C ATOM 34 O PRO A 3 7.662 -5.086 2.313 1.00 0.00 O ATOM 35 CB PRO A 3 5.758 -4.326 0.376 1.00 0.00 C ATOM 36 CG PRO A 3 5.901 -2.857 0.771 1.00 0.00 C ATOM 37 CD PRO A 3 4.777 -2.665 1.791 1.00 0.00 C ATOM 0 HA PRO A 3 4.796 -5.918 1.491 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.695 -4.737 -0.000 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.012 -4.464 -0.407 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.879 -2.649 1.204 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.785 -2.195 -0.087 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.070 -1.953 2.562 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.882 -2.267 1.313 1.00 0.00 H new ATOM 45 N THR A 4 6.225 -6.100 3.698 1.00 0.00 N ATOM 46 CA THR A 4 7.213 -6.392 4.762 1.00 0.00 C ATOM 47 C THR A 4 7.102 -7.780 5.390 1.00 0.00 C ATOM 48 O THR A 4 8.051 -8.233 6.024 1.00 0.00 O ATOM 49 CB THR A 4 7.087 -5.366 5.903 1.00 0.00 C ATOM 50 OG1 THR A 4 5.742 -5.254 6.339 1.00 0.00 O ATOM 51 CG2 THR A 4 7.513 -3.964 5.481 1.00 0.00 C ATOM 0 H THR A 4 5.294 -6.466 3.898 1.00 0.00 H new ATOM 0 HA THR A 4 8.176 -6.339 4.254 1.00 0.00 H new ATOM 0 HB THR A 4 7.740 -5.735 6.694 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.412 -4.350 6.154 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.404 -3.281 6.324 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.555 -3.981 5.161 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.885 -3.626 4.657 1.00 0.00 H new ATOM 59 N SER A 5 5.935 -8.416 5.275 1.00 0.00 N ATOM 60 CA SER A 5 5.541 -9.721 5.837 1.00 0.00 C ATOM 61 C SER A 5 4.210 -10.126 5.174 1.00 0.00 C ATOM 62 O SER A 5 3.761 -9.427 4.259 1.00 0.00 O ATOM 63 CB SER A 5 5.333 -9.641 7.364 1.00 0.00 C ATOM 64 OG SER A 5 6.346 -8.908 8.024 1.00 0.00 O ATOM 0 H SER A 5 5.172 -8.000 4.741 1.00 0.00 H new ATOM 0 HA SER A 5 6.330 -10.448 5.645 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.367 -9.180 7.569 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.298 -10.651 7.773 1.00 0.00 H new ATOM 0 HG SER A 5 6.162 -8.889 8.986 1.00 0.00 H new ATOM 70 N ILE A 6 3.524 -11.166 5.666 1.00 0.00 N ATOM 71 CA ILE A 6 2.145 -11.510 5.223 1.00 0.00 C ATOM 72 C ILE A 6 1.141 -11.460 6.366 1.00 0.00 C ATOM 73 O ILE A 6 -0.043 -11.230 6.142 1.00 0.00 O ATOM 74 CB ILE A 6 2.073 -12.870 4.482 1.00 0.00 C ATOM 75 CG1 ILE A 6 1.757 -14.105 5.381 1.00 0.00 C ATOM 76 CG2 ILE A 6 3.393 -13.071 3.717 1.00 0.00 C ATOM 77 CD1 ILE A 6 0.257 -14.443 5.544 1.00 0.00 C ATOM 0 H ILE A 6 3.896 -11.795 6.377 1.00 0.00 H new ATOM 0 HA ILE A 6 1.868 -10.738 4.505 1.00 0.00 H new ATOM 0 HB ILE A 6 1.220 -12.815 3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.264 -14.975 4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.182 -13.931 6.370 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.365 -14.023 3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.525 -12.261 3.000 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.225 -13.072 4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.149 -15.317 6.187 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.260 -13.595 5.994 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.176 -14.656 4.567 1.00 0.00 H new ATOM 89 N LEU A 7 1.628 -11.679 7.588 1.00 0.00 N ATOM 90 CA LEU A 7 0.878 -11.765 8.853 1.00 0.00 C ATOM 91 C LEU A 7 -0.038 -10.568 9.225 1.00 0.00 C ATOM 92 O LEU A 7 -0.551 -10.513 10.341 1.00 0.00 O ATOM 93 CB LEU A 7 1.866 -12.142 9.980 1.00 0.00 C ATOM 94 CG LEU A 7 3.135 -11.274 10.113 1.00 0.00 C ATOM 95 CD1 LEU A 7 2.863 -9.772 10.240 1.00 0.00 C ATOM 96 CD2 LEU A 7 3.927 -11.709 11.348 1.00 0.00 C ATOM 0 H LEU A 7 2.628 -11.811 7.736 1.00 0.00 H new ATOM 0 HA LEU A 7 0.133 -12.547 8.706 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.329 -12.106 10.928 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.176 -13.176 9.828 1.00 0.00 H new ATOM 0 HG LEU A 7 3.690 -11.428 9.188 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.809 -9.237 10.329 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.330 -9.423 9.356 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.256 -9.586 11.126 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.823 -11.095 11.441 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.310 -11.586 12.238 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.213 -12.756 11.246 1.00 0.00 H new ATOM 108 N ASP A 8 -0.245 -9.601 8.324 1.00 0.00 N ATOM 109 CA ASP A 8 -1.254 -8.544 8.454 1.00 0.00 C ATOM 110 C ASP A 8 -2.607 -8.915 7.815 1.00 0.00 C ATOM 111 O ASP A 8 -3.631 -8.299 8.131 1.00 0.00 O ATOM 112 CB ASP A 8 -0.708 -7.202 7.957 1.00 0.00 C ATOM 113 CG ASP A 8 -0.316 -7.092 6.482 1.00 0.00 C ATOM 114 OD1 ASP A 8 -0.214 -8.118 5.783 1.00 0.00 O ATOM 115 OD2 ASP A 8 -0.118 -5.925 6.064 1.00 0.00 O ATOM 0 H ASP A 8 0.298 -9.530 7.463 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.468 -8.435 9.517 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.459 -6.439 8.162 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.169 -6.955 8.556 1.00 0.00 H new ATOM 120 N ILE A 9 -2.632 -9.926 6.939 1.00 0.00 N ATOM 121 CA ILE A 9 -3.880 -10.587 6.537 1.00 0.00 C ATOM 122 C ILE A 9 -4.267 -11.607 7.619 1.00 0.00 C ATOM 123 O ILE A 9 -3.442 -12.032 8.431 1.00 0.00 O ATOM 124 CB ILE A 9 -3.833 -11.244 5.143 1.00 0.00 C ATOM 125 CG1 ILE A 9 -3.006 -12.546 5.050 1.00 0.00 C ATOM 126 CG2 ILE A 9 -3.408 -10.223 4.076 1.00 0.00 C ATOM 127 CD1 ILE A 9 -3.454 -13.396 3.851 1.00 0.00 C ATOM 0 H ILE A 9 -1.797 -10.306 6.493 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.641 -9.812 6.448 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.855 -11.568 4.947 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.948 -12.303 4.954 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.119 -13.120 5.970 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.381 -10.707 3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.123 -9.401 4.054 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.418 -9.836 4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.857 -14.307 3.807 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.506 -13.657 3.963 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.317 -12.828 2.931 1.00 0.00 H new ATOM 139 N ARG A 10 -5.515 -12.089 7.599 1.00 0.00 N ATOM 140 CA ARG A 10 -5.903 -13.217 8.452 1.00 0.00 C ATOM 141 C ARG A 10 -5.086 -14.471 8.156 1.00 0.00 C ATOM 142 O ARG A 10 -4.908 -14.839 7.001 1.00 0.00 O ATOM 143 CB ARG A 10 -7.410 -13.515 8.333 1.00 0.00 C ATOM 144 CG ARG A 10 -7.953 -13.886 6.934 1.00 0.00 C ATOM 145 CD ARG A 10 -7.774 -15.366 6.531 1.00 0.00 C ATOM 146 NE ARG A 10 -8.849 -15.858 5.645 1.00 0.00 N ATOM 147 CZ ARG A 10 -10.042 -16.300 5.998 1.00 0.00 C ATOM 148 NH1 ARG A 10 -10.462 -16.235 7.234 1.00 0.00 N ATOM 149 NH2 ARG A 10 -10.826 -16.835 5.102 1.00 0.00 N ATOM 0 H ARG A 10 -6.263 -11.722 7.011 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.689 -12.921 9.479 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.647 -14.333 9.014 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.955 -12.639 8.685 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.015 -13.642 6.897 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.456 -13.261 6.192 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.814 -15.486 6.029 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.743 -15.980 7.431 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.646 -15.856 4.645 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.863 -15.835 7.956 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.389 -16.585 7.477 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.516 -16.910 4.133 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.748 -17.178 5.371 1.00 0.00 H new ATOM 163 N GLN A 11 -4.693 -15.190 9.196 1.00 0.00 N ATOM 164 CA GLN A 11 -4.238 -16.563 9.075 1.00 0.00 C ATOM 165 C GLN A 11 -5.492 -17.459 9.044 1.00 0.00 C ATOM 166 O GLN A 11 -6.588 -17.076 9.462 1.00 0.00 O ATOM 167 CB GLN A 11 -3.291 -16.926 10.234 1.00 0.00 C ATOM 168 CG GLN A 11 -3.993 -17.045 11.599 1.00 0.00 C ATOM 169 CD GLN A 11 -3.006 -17.259 12.743 1.00 0.00 C ATOM 170 OE1 GLN A 11 -2.396 -16.336 13.244 1.00 0.00 O ATOM 171 NE2 GLN A 11 -2.829 -18.473 13.215 1.00 0.00 N ATOM 0 H GLN A 11 -4.681 -14.834 10.152 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.664 -16.708 8.160 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.799 -17.872 10.006 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.510 -16.169 10.303 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.572 -16.141 11.787 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.698 -17.876 11.571 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.334 -19.258 12.805 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.186 -18.630 13.992 1.00 0.00 H new ATOM 180 N GLY A 12 -5.318 -18.681 8.564 1.00 0.00 N ATOM 181 CA GLY A 12 -6.325 -19.755 8.655 1.00 0.00 C ATOM 182 C GLY A 12 -6.518 -20.592 7.389 1.00 0.00 C ATOM 183 O GLY A 12 -7.641 -20.691 6.901 1.00 0.00 O ATOM 0 H GLY A 12 -4.462 -18.970 8.090 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.045 -20.422 9.470 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.283 -19.308 8.923 1.00 0.00 H new ATOM 187 N PRO A 13 -5.455 -21.223 6.871 1.00 0.00 N ATOM 188 CA PRO A 13 -5.446 -21.929 5.583 1.00 0.00 C ATOM 189 C PRO A 13 -6.286 -23.219 5.505 1.00 0.00 C ATOM 190 O PRO A 13 -6.330 -23.831 4.444 1.00 0.00 O ATOM 191 CB PRO A 13 -3.968 -22.261 5.362 1.00 0.00 C ATOM 192 CG PRO A 13 -3.455 -22.453 6.788 1.00 0.00 C ATOM 193 CD PRO A 13 -4.160 -21.334 7.524 1.00 0.00 C ATOM 0 HA PRO A 13 -5.906 -21.293 4.826 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.840 -23.161 4.760 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.444 -21.456 4.847 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.715 -23.433 7.188 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.370 -22.362 6.848 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.269 -21.564 8.584 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.601 -20.401 7.456 1.00 0.00 H new ATOM 201 N LYS A 14 -6.924 -23.635 6.608 1.00 0.00 N ATOM 202 CA LYS A 14 -7.573 -24.959 6.779 1.00 0.00 C ATOM 203 C LYS A 14 -8.438 -25.453 5.601 1.00 0.00 C ATOM 204 O LYS A 14 -8.063 -26.390 4.904 1.00 0.00 O ATOM 205 CB LYS A 14 -8.286 -25.035 8.145 1.00 0.00 C ATOM 206 CG LYS A 14 -9.388 -23.985 8.405 1.00 0.00 C ATOM 207 CD LYS A 14 -9.779 -23.900 9.888 1.00 0.00 C ATOM 208 CE LYS A 14 -10.501 -25.158 10.392 1.00 0.00 C ATOM 209 NZ LYS A 14 -10.578 -25.172 11.875 1.00 0.00 N ATOM 0 H LYS A 14 -7.010 -23.047 7.437 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.760 -25.685 6.770 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.729 -26.026 8.244 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.534 -24.942 8.928 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.042 -23.008 8.067 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.269 -24.233 7.814 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.882 -23.739 10.486 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.423 -23.033 10.039 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.506 -25.197 9.972 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.975 -26.047 10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.238 -25.915 12.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.635 -25.363 12.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.915 -24.248 12.214 1.00 0.00 H new ATOM 223 N GLU A 15 -9.570 -24.797 5.359 1.00 0.00 N ATOM 224 CA GLU A 15 -10.452 -25.034 4.212 1.00 0.00 C ATOM 225 C GLU A 15 -9.924 -24.388 2.915 1.00 0.00 C ATOM 226 O GLU A 15 -9.818 -25.103 1.909 1.00 0.00 O ATOM 227 CB GLU A 15 -11.867 -24.542 4.588 1.00 0.00 C ATOM 228 CG GLU A 15 -12.929 -24.605 3.473 1.00 0.00 C ATOM 229 CD GLU A 15 -12.841 -23.474 2.432 1.00 0.00 C ATOM 230 OE1 GLU A 15 -12.580 -22.314 2.823 1.00 0.00 O ATOM 231 OE2 GLU A 15 -12.973 -23.789 1.224 1.00 0.00 O ATOM 0 H GLU A 15 -9.913 -24.060 5.975 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.485 -26.101 3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.222 -25.133 5.433 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.791 -23.510 4.931 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.838 -25.561 2.958 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.918 -24.582 3.931 1.00 0.00 H new ATOM 238 N PRO A 16 -9.530 -23.090 2.889 1.00 0.00 N ATOM 239 CA PRO A 16 -9.235 -22.393 1.636 1.00 0.00 C ATOM 240 C PRO A 16 -7.920 -22.838 0.986 1.00 0.00 C ATOM 241 O PRO A 16 -7.568 -22.301 -0.062 1.00 0.00 O ATOM 242 CB PRO A 16 -9.234 -20.898 1.974 1.00 0.00 C ATOM 243 CG PRO A 16 -8.793 -20.880 3.430 1.00 0.00 C ATOM 244 CD PRO A 16 -9.473 -22.127 3.988 1.00 0.00 C ATOM 0 HA PRO A 16 -9.989 -22.633 0.887 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.548 -20.340 1.337 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.221 -20.454 1.845 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.709 -20.929 3.528 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.118 -19.975 3.943 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.912 -22.531 4.831 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.473 -21.894 4.353 1.00 0.00 H new ATOM 252 N PHE A 17 -7.232 -23.829 1.569 1.00 0.00 N ATOM 253 CA PHE A 17 -5.872 -24.293 1.307 1.00 0.00 C ATOM 254 C PHE A 17 -5.317 -23.855 -0.051 1.00 0.00 C ATOM 255 O PHE A 17 -4.667 -22.827 -0.107 1.00 0.00 O ATOM 256 CB PHE A 17 -5.804 -25.809 1.570 1.00 0.00 C ATOM 257 CG PHE A 17 -4.415 -26.423 1.648 1.00 0.00 C ATOM 258 CD1 PHE A 17 -3.280 -25.635 1.918 1.00 0.00 C ATOM 259 CD2 PHE A 17 -4.269 -27.819 1.559 1.00 0.00 C ATOM 260 CE1 PHE A 17 -2.047 -26.243 2.193 1.00 0.00 C ATOM 261 CE2 PHE A 17 -3.011 -28.416 1.743 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.920 -27.631 2.134 1.00 0.00 C ATOM 0 H PHE A 17 -7.663 -24.379 2.312 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.193 -23.800 2.002 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.322 -26.016 2.507 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -6.358 -26.317 0.781 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.359 -24.558 1.913 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.130 -28.436 1.348 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.193 -25.635 2.451 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.886 -29.477 1.583 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.981 -28.099 2.390 1.00 0.00 H new ATOM 272 N ARG A 18 -5.645 -24.580 -1.126 1.00 0.00 N ATOM 273 CA ARG A 18 -5.460 -24.256 -2.561 1.00 0.00 C ATOM 274 C ARG A 18 -5.312 -22.752 -2.879 1.00 0.00 C ATOM 275 O ARG A 18 -4.259 -22.301 -3.330 1.00 0.00 O ATOM 276 CB ARG A 18 -6.614 -24.878 -3.402 1.00 0.00 C ATOM 277 CG ARG A 18 -7.633 -25.806 -2.698 1.00 0.00 C ATOM 278 CD ARG A 18 -8.584 -25.156 -1.675 1.00 0.00 C ATOM 279 NE ARG A 18 -9.587 -24.239 -2.245 1.00 0.00 N ATOM 280 CZ ARG A 18 -10.705 -23.910 -1.615 1.00 0.00 C ATOM 281 NH1 ARG A 18 -11.039 -24.431 -0.479 1.00 0.00 N ATOM 282 NH2 ARG A 18 -11.559 -23.057 -2.095 1.00 0.00 N ATOM 0 H ARG A 18 -6.087 -25.492 -1.013 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.503 -24.699 -2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.172 -24.058 -3.854 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.161 -25.443 -4.217 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.239 -26.287 -3.466 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.078 -26.595 -2.190 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.104 -25.946 -1.133 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.988 -24.608 -0.945 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.412 -23.839 -3.167 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.433 -25.122 -0.037 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.909 -24.151 -0.026 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.382 -22.609 -2.994 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.407 -22.835 -1.573 1.00 0.00 H new ATOM 296 N ASP A 19 -6.382 -22.004 -2.633 1.00 0.00 N ATOM 297 CA ASP A 19 -6.445 -20.573 -2.912 1.00 0.00 C ATOM 298 C ASP A 19 -5.505 -19.802 -1.991 1.00 0.00 C ATOM 299 O ASP A 19 -4.652 -19.067 -2.481 1.00 0.00 O ATOM 300 CB ASP A 19 -7.885 -20.066 -2.774 1.00 0.00 C ATOM 301 CG ASP A 19 -7.940 -18.595 -3.186 1.00 0.00 C ATOM 302 OD1 ASP A 19 -7.977 -18.345 -4.407 1.00 0.00 O ATOM 303 OD2 ASP A 19 -7.873 -17.717 -2.300 1.00 0.00 O ATOM 0 H ASP A 19 -7.241 -22.378 -2.229 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.120 -20.406 -3.939 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.553 -20.657 -3.400 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.227 -20.181 -1.746 1.00 0.00 H new ATOM 308 N TYR A 20 -5.578 -20.053 -0.676 1.00 0.00 N ATOM 309 CA TYR A 20 -4.667 -19.432 0.303 1.00 0.00 C ATOM 310 C TYR A 20 -3.189 -19.738 -0.008 1.00 0.00 C ATOM 311 O TYR A 20 -2.316 -18.937 0.324 1.00 0.00 O ATOM 312 CB TYR A 20 -5.048 -19.806 1.750 1.00 0.00 C ATOM 313 CG TYR A 20 -4.374 -18.954 2.828 1.00 0.00 C ATOM 314 CD1 TYR A 20 -3.060 -19.248 3.244 1.00 0.00 C ATOM 315 CD2 TYR A 20 -5.039 -17.845 3.395 1.00 0.00 C ATOM 316 CE1 TYR A 20 -2.406 -18.448 4.202 1.00 0.00 C ATOM 317 CE2 TYR A 20 -4.402 -17.061 4.380 1.00 0.00 C ATOM 318 CZ TYR A 20 -3.082 -17.353 4.777 1.00 0.00 C ATOM 319 OH TYR A 20 -2.476 -16.582 5.714 1.00 0.00 O ATOM 0 H TYR A 20 -6.262 -20.686 -0.261 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.785 -18.352 0.212 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.129 -19.720 1.861 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.793 -20.852 1.920 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -2.547 -20.099 2.822 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.039 -17.596 3.073 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.391 -18.673 4.494 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.929 -16.233 4.832 1.00 0.00 H new ATOM 0 HH TYR A 20 -3.146 -16.025 6.163 1.00 0.00 H new ATOM 329 N VAL A 21 -2.892 -20.861 -0.676 1.00 0.00 N ATOM 330 CA VAL A 21 -1.549 -21.145 -1.161 1.00 0.00 C ATOM 331 C VAL A 21 -1.102 -20.107 -2.174 1.00 0.00 C ATOM 332 O VAL A 21 -0.008 -19.569 -2.012 1.00 0.00 O ATOM 333 CB VAL A 21 -1.363 -22.532 -1.799 1.00 0.00 C ATOM 334 CG1 VAL A 21 0.141 -22.702 -1.951 1.00 0.00 C ATOM 335 CG2 VAL A 21 -1.989 -23.751 -1.112 1.00 0.00 C ATOM 0 H VAL A 21 -3.575 -21.588 -0.890 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.938 -21.118 -0.259 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.925 -22.526 -2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.354 -23.672 -2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.534 -21.911 -2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.614 -22.645 -0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.765 -24.648 -1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.578 -23.853 -0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.069 -23.619 -1.051 1.00 0.00 H new ATOM 345 N ASP A 22 -1.946 -19.824 -3.167 1.00 0.00 N ATOM 346 CA ASP A 22 -1.674 -18.750 -4.127 1.00 0.00 C ATOM 347 C ASP A 22 -1.490 -17.409 -3.426 1.00 0.00 C ATOM 348 O ASP A 22 -0.456 -16.741 -3.526 1.00 0.00 O ATOM 349 CB ASP A 22 -2.828 -18.646 -5.128 1.00 0.00 C ATOM 350 CG ASP A 22 -2.339 -18.249 -6.522 1.00 0.00 C ATOM 351 OD1 ASP A 22 -2.270 -17.020 -6.765 1.00 0.00 O ATOM 352 OD2 ASP A 22 -2.051 -19.169 -7.318 1.00 0.00 O ATOM 0 H ASP A 22 -2.822 -20.321 -3.329 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.748 -18.993 -4.648 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.347 -19.603 -5.184 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.551 -17.911 -4.774 1.00 0.00 H new ATOM 357 N ARG A 23 -2.509 -17.034 -2.644 1.00 0.00 N ATOM 358 CA ARG A 23 -2.567 -15.687 -2.058 1.00 0.00 C ATOM 359 C ARG A 23 -1.377 -15.412 -1.146 1.00 0.00 C ATOM 360 O ARG A 23 -0.925 -14.266 -1.118 1.00 0.00 O ATOM 361 CB ARG A 23 -3.889 -15.363 -1.334 1.00 0.00 C ATOM 362 CG ARG A 23 -5.185 -16.020 -1.801 1.00 0.00 C ATOM 363 CD ARG A 23 -5.340 -16.057 -3.317 1.00 0.00 C ATOM 364 NE ARG A 23 -6.299 -15.048 -3.763 1.00 0.00 N ATOM 365 CZ ARG A 23 -6.982 -15.111 -4.895 1.00 0.00 C ATOM 366 NH1 ARG A 23 -7.019 -16.172 -5.643 1.00 0.00 N ATOM 367 NH2 ARG A 23 -7.661 -14.080 -5.321 1.00 0.00 N ATOM 0 H ARG A 23 -3.297 -17.635 -2.403 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.519 -15.014 -2.914 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.755 -15.616 -0.282 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.033 -14.284 -1.386 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.225 -17.039 -1.415 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.030 -15.483 -1.371 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.374 -15.882 -3.791 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.674 -17.046 -3.629 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.452 -14.240 -3.160 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.506 -17.009 -5.367 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.561 -16.168 -6.507 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.668 -13.215 -4.780 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.184 -14.139 -6.195 1.00 0.00 H new ATOM 381 N PHE A 24 -0.871 -16.442 -0.457 1.00 0.00 N ATOM 382 CA PHE A 24 0.349 -16.348 0.342 1.00 0.00 C ATOM 383 C PHE A 24 1.652 -16.476 -0.455 1.00 0.00 C ATOM 384 O PHE A 24 2.516 -15.609 -0.309 1.00 0.00 O ATOM 385 CB PHE A 24 0.355 -17.441 1.407 1.00 0.00 C ATOM 386 CG PHE A 24 1.672 -17.514 2.160 1.00 0.00 C ATOM 387 CD1 PHE A 24 2.273 -16.389 2.750 1.00 0.00 C ATOM 388 CD2 PHE A 24 2.357 -18.726 2.195 1.00 0.00 C ATOM 389 CE1 PHE A 24 3.511 -16.517 3.415 1.00 0.00 C ATOM 390 CE2 PHE A 24 3.533 -18.873 2.925 1.00 0.00 C ATOM 391 CZ PHE A 24 4.113 -17.765 3.570 1.00 0.00 C ATOM 0 H PHE A 24 -1.301 -17.367 -0.440 1.00 0.00 H new ATOM 0 HA PHE A 24 0.327 -15.346 0.770 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.454 -17.259 2.114 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.156 -18.404 0.936 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.787 -15.426 2.694 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.968 -19.569 1.644 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.998 -15.637 3.809 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.003 -19.843 2.997 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.003 -17.879 4.171 1.00 0.00 H new ATOM 401 N TYR A 25 1.856 -17.531 -1.259 1.00 0.00 N ATOM 402 CA TYR A 25 3.164 -17.705 -1.912 1.00 0.00 C ATOM 403 C TYR A 25 3.481 -16.539 -2.868 1.00 0.00 C ATOM 404 O TYR A 25 4.642 -16.157 -3.032 1.00 0.00 O ATOM 405 CB TYR A 25 3.383 -19.106 -2.501 1.00 0.00 C ATOM 406 CG TYR A 25 4.209 -20.016 -1.603 1.00 0.00 C ATOM 407 CD1 TYR A 25 3.640 -20.522 -0.426 1.00 0.00 C ATOM 408 CD2 TYR A 25 5.561 -20.292 -1.887 1.00 0.00 C ATOM 409 CE1 TYR A 25 4.436 -21.213 0.511 1.00 0.00 C ATOM 410 CE2 TYR A 25 6.353 -21.010 -0.962 1.00 0.00 C ATOM 411 CZ TYR A 25 5.801 -21.468 0.252 1.00 0.00 C ATOM 412 OH TYR A 25 6.595 -22.133 1.146 1.00 0.00 O ATOM 0 H TYR A 25 1.164 -18.250 -1.468 1.00 0.00 H new ATOM 0 HA TYR A 25 3.919 -17.653 -1.128 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.414 -19.571 -2.684 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.880 -19.013 -3.467 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.586 -20.382 -0.236 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.995 -19.953 -2.816 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.997 -21.551 1.438 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.390 -21.210 -1.187 1.00 0.00 H new ATOM 0 HH TYR A 25 6.117 -22.234 1.996 1.00 0.00 H new ATOM 422 N LYS A 26 2.444 -15.866 -3.380 1.00 0.00 N ATOM 423 CA LYS A 26 2.493 -14.585 -4.100 1.00 0.00 C ATOM 424 C LYS A 26 3.153 -13.423 -3.326 1.00 0.00 C ATOM 425 O LYS A 26 3.839 -12.604 -3.953 1.00 0.00 O ATOM 426 CB LYS A 26 1.041 -14.291 -4.504 1.00 0.00 C ATOM 427 CG LYS A 26 0.753 -12.913 -5.099 1.00 0.00 C ATOM 428 CD LYS A 26 0.396 -11.888 -4.004 1.00 0.00 C ATOM 429 CE LYS A 26 -0.112 -10.590 -4.642 1.00 0.00 C ATOM 430 NZ LYS A 26 -1.408 -10.798 -5.341 1.00 0.00 N ATOM 0 H LYS A 26 1.491 -16.221 -3.299 1.00 0.00 H new ATOM 0 HA LYS A 26 3.149 -14.671 -4.966 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.732 -15.044 -5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.412 -14.418 -3.623 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.625 -12.566 -5.654 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.069 -12.988 -5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.367 -12.301 -3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.272 -11.681 -3.389 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.231 -9.827 -3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.629 -10.217 -5.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.895 -9.885 -5.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.234 -11.210 -6.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.003 -11.444 -4.784 1.00 0.00 H new ATOM 444 N THR A 27 2.983 -13.295 -2.003 1.00 0.00 N ATOM 445 CA THR A 27 3.746 -12.320 -1.184 1.00 0.00 C ATOM 446 C THR A 27 5.053 -12.932 -0.700 1.00 0.00 C ATOM 447 O THR A 27 6.079 -12.264 -0.773 1.00 0.00 O ATOM 448 CB THR A 27 2.980 -11.744 0.029 1.00 0.00 C ATOM 449 OG1 THR A 27 2.211 -12.719 0.681 1.00 0.00 O ATOM 450 CG2 THR A 27 2.008 -10.637 -0.373 1.00 0.00 C ATOM 0 H THR A 27 2.321 -13.855 -1.466 1.00 0.00 H new ATOM 0 HA THR A 27 3.930 -11.482 -1.857 1.00 0.00 H new ATOM 0 HB THR A 27 3.758 -11.357 0.687 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.745 -12.313 1.442 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.494 -10.265 0.513 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.559 -9.822 -0.842 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.276 -11.033 -1.077 1.00 0.00 H new ATOM 458 N LEU A 28 5.053 -14.223 -0.351 1.00 0.00 N ATOM 459 CA LEU A 28 6.267 -14.957 0.055 1.00 0.00 C ATOM 460 C LEU A 28 7.418 -14.824 -0.952 1.00 0.00 C ATOM 461 O LEU A 28 8.579 -14.671 -0.560 1.00 0.00 O ATOM 462 CB LEU A 28 5.947 -16.422 0.346 1.00 0.00 C ATOM 463 CG LEU A 28 7.155 -17.281 0.783 1.00 0.00 C ATOM 464 CD1 LEU A 28 6.685 -18.466 1.624 1.00 0.00 C ATOM 465 CD2 LEU A 28 7.898 -17.892 -0.415 1.00 0.00 C ATOM 0 H LEU A 28 4.209 -14.795 -0.341 1.00 0.00 H new ATOM 0 HA LEU A 28 6.618 -14.491 0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.189 -16.464 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.509 -16.867 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 28 7.812 -16.611 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.546 -19.063 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.169 -18.100 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.004 -19.082 1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.739 -18.487 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.217 -18.529 -0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.266 -17.094 -1.060 1.00 0.00 H new ATOM 477 N ARG A 29 7.126 -14.819 -2.262 1.00 0.00 N ATOM 478 CA ARG A 29 8.086 -14.474 -3.331 1.00 0.00 C ATOM 479 C ARG A 29 8.614 -13.015 -3.325 1.00 0.00 C ATOM 480 O ARG A 29 9.022 -12.491 -4.359 1.00 0.00 O ATOM 481 CB ARG A 29 7.625 -15.049 -4.686 1.00 0.00 C ATOM 482 CG ARG A 29 6.285 -14.588 -5.288 1.00 0.00 C ATOM 483 CD ARG A 29 6.368 -13.415 -6.275 1.00 0.00 C ATOM 484 NE ARG A 29 6.175 -12.117 -5.607 1.00 0.00 N ATOM 485 CZ ARG A 29 6.650 -10.948 -6.005 1.00 0.00 C ATOM 486 NH1 ARG A 29 7.270 -10.786 -7.143 1.00 0.00 N ATOM 487 NH2 ARG A 29 6.518 -9.905 -5.243 1.00 0.00 N ATOM 0 H ARG A 29 6.201 -15.058 -2.618 1.00 0.00 H new ATOM 0 HA ARG A 29 9.020 -14.987 -3.099 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.404 -14.829 -5.416 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.581 -16.133 -4.583 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.825 -15.435 -5.797 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.619 -14.306 -4.472 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.339 -13.427 -6.771 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.612 -13.540 -7.050 1.00 0.00 H new ATOM 0 HE ARG A 29 5.619 -12.119 -4.752 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.405 -11.581 -7.768 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.619 -9.865 -7.407 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.049 -9.988 -4.341 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.883 -9.002 -5.547 1.00 0.00 H new ATOM 501 N ALA A 30 8.616 -12.376 -2.153 1.00 0.00 N ATOM 502 CA ALA A 30 9.263 -11.108 -1.790 1.00 0.00 C ATOM 503 C ALA A 30 9.904 -11.122 -0.369 1.00 0.00 C ATOM 504 O ALA A 30 10.469 -10.111 0.034 1.00 0.00 O ATOM 505 CB ALA A 30 8.246 -9.966 -1.930 1.00 0.00 C ATOM 0 H ALA A 30 8.117 -12.770 -1.355 1.00 0.00 H new ATOM 0 HA ALA A 30 10.094 -10.954 -2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.720 -9.022 -1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.895 -9.916 -2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.400 -10.149 -1.267 1.00 0.00 H new ATOM 511 N GLU A 31 9.865 -12.249 0.363 1.00 0.00 N ATOM 512 CA GLU A 31 10.419 -12.417 1.730 1.00 0.00 C ATOM 513 C GLU A 31 11.200 -13.739 1.909 1.00 0.00 C ATOM 514 O GLU A 31 12.290 -13.725 2.470 1.00 0.00 O ATOM 515 CB GLU A 31 9.308 -12.302 2.803 1.00 0.00 C ATOM 516 CG GLU A 31 8.065 -13.121 2.430 1.00 0.00 C ATOM 517 CD GLU A 31 7.178 -13.597 3.586 1.00 0.00 C ATOM 518 OE1 GLU A 31 6.760 -12.755 4.412 1.00 0.00 O ATOM 519 OE2 GLU A 31 6.879 -14.816 3.567 1.00 0.00 O ATOM 0 H GLU A 31 9.432 -13.103 0.011 1.00 0.00 H new ATOM 0 HA GLU A 31 11.132 -11.604 1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.694 -12.645 3.763 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.030 -11.255 2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.453 -12.521 1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.391 -13.997 1.869 1.00 0.00 H new ATOM 526 N GLN A 32 10.735 -14.860 1.338 1.00 0.00 N ATOM 527 CA GLN A 32 11.490 -16.126 1.267 1.00 0.00 C ATOM 528 C GLN A 32 11.808 -16.548 -0.185 1.00 0.00 C ATOM 529 O GLN A 32 12.474 -17.558 -0.398 1.00 0.00 O ATOM 530 CB GLN A 32 10.793 -17.258 2.047 1.00 0.00 C ATOM 531 CG GLN A 32 10.312 -16.935 3.478 1.00 0.00 C ATOM 532 CD GLN A 32 9.969 -18.209 4.252 1.00 0.00 C ATOM 533 OE1 GLN A 32 9.208 -19.110 3.669 1.00 0.00 O flip ATOM 534 NE2 GLN A 32 10.399 -18.450 5.370 1.00 0.00 N flip ATOM 0 H GLN A 32 9.813 -14.917 0.906 1.00 0.00 H new ATOM 0 HA GLN A 32 12.447 -15.937 1.754 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.931 -17.587 1.467 1.00 0.00 H new ATOM 0 HB3 GLN A 32 11.480 -18.102 2.104 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.088 -16.383 4.008 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.436 -16.288 3.432 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.991 -17.770 5.846 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.166 -19.331 5.827 1.00 0.00 H new ATOM 543 N ALA A 33 11.376 -15.764 -1.183 1.00 0.00 N ATOM 544 CA ALA A 33 11.756 -15.860 -2.602 1.00 0.00 C ATOM 545 C ALA A 33 11.752 -17.268 -3.263 1.00 0.00 C ATOM 546 O ALA A 33 12.555 -17.510 -4.161 1.00 0.00 O ATOM 547 CB ALA A 33 13.095 -15.121 -2.760 1.00 0.00 C ATOM 0 H ALA A 33 10.716 -15.004 -1.014 1.00 0.00 H new ATOM 0 HA ALA A 33 10.956 -15.389 -3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.416 -15.167 -3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 33 12.973 -14.079 -2.464 1.00 0.00 H new ATOM 0 HB3 ALA A 33 13.847 -15.592 -2.127 1.00 0.00 H new ATOM 553 N SER A 34 10.877 -18.200 -2.864 1.00 0.00 N ATOM 554 CA SER A 34 10.882 -19.577 -3.401 1.00 0.00 C ATOM 555 C SER A 34 9.488 -20.223 -3.431 1.00 0.00 C ATOM 556 O SER A 34 8.521 -19.636 -2.959 1.00 0.00 O ATOM 557 CB SER A 34 11.872 -20.420 -2.582 1.00 0.00 C ATOM 558 OG SER A 34 12.144 -21.652 -3.231 1.00 0.00 O ATOM 0 H SER A 34 10.151 -18.029 -2.168 1.00 0.00 H new ATOM 0 HA SER A 34 11.199 -19.533 -4.443 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.800 -19.865 -2.442 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.461 -20.609 -1.590 1.00 0.00 H new ATOM 0 HG SER A 34 12.777 -22.172 -2.694 1.00 0.00 H new ATOM 564 N GLN A 35 9.390 -21.432 -3.986 1.00 0.00 N ATOM 565 CA GLN A 35 8.205 -22.303 -4.067 1.00 0.00 C ATOM 566 C GLN A 35 8.598 -23.777 -3.806 1.00 0.00 C ATOM 567 O GLN A 35 7.805 -24.696 -3.991 1.00 0.00 O ATOM 568 CB GLN A 35 7.586 -22.086 -5.466 1.00 0.00 C ATOM 569 CG GLN A 35 6.204 -22.721 -5.692 1.00 0.00 C ATOM 570 CD GLN A 35 5.614 -22.349 -7.051 1.00 0.00 C ATOM 571 OE1 GLN A 35 5.224 -21.221 -7.299 1.00 0.00 O ATOM 572 NE2 GLN A 35 5.452 -23.279 -7.960 1.00 0.00 N ATOM 0 H GLN A 35 10.200 -21.867 -4.428 1.00 0.00 H new ATOM 0 HA GLN A 35 7.468 -22.056 -3.303 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.506 -21.014 -5.645 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.274 -22.483 -6.212 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.288 -23.805 -5.619 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.525 -22.400 -4.902 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.769 -24.231 -7.778 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.009 -23.051 -8.850 1.00 0.00 H new ATOM 581 N GLU A 36 9.852 -24.004 -3.404 1.00 0.00 N ATOM 582 CA GLU A 36 10.428 -25.312 -3.101 1.00 0.00 C ATOM 583 C GLU A 36 9.679 -26.014 -1.954 1.00 0.00 C ATOM 584 O GLU A 36 9.464 -25.414 -0.906 1.00 0.00 O ATOM 585 CB GLU A 36 11.896 -25.059 -2.733 1.00 0.00 C ATOM 586 CG GLU A 36 12.748 -26.330 -2.674 1.00 0.00 C ATOM 587 CD GLU A 36 14.130 -26.081 -2.038 1.00 0.00 C ATOM 588 OE1 GLU A 36 14.397 -24.943 -1.574 1.00 0.00 O ATOM 589 OE2 GLU A 36 14.868 -27.066 -1.851 1.00 0.00 O ATOM 0 H GLU A 36 10.521 -23.245 -3.276 1.00 0.00 H new ATOM 0 HA GLU A 36 10.344 -25.979 -3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.331 -24.375 -3.462 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.937 -24.560 -1.765 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.220 -27.092 -2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.880 -26.723 -3.682 1.00 0.00 H new ATOM 596 N VAL A 37 9.357 -27.303 -2.126 1.00 0.00 N ATOM 597 CA VAL A 37 8.684 -28.177 -1.131 1.00 0.00 C ATOM 598 C VAL A 37 9.443 -28.273 0.214 1.00 0.00 C ATOM 599 O VAL A 37 8.902 -28.693 1.238 1.00 0.00 O ATOM 600 CB VAL A 37 8.431 -29.556 -1.779 1.00 0.00 C ATOM 601 CG1 VAL A 37 7.821 -30.597 -0.841 1.00 0.00 C ATOM 602 CG2 VAL A 37 7.469 -29.429 -2.971 1.00 0.00 C ATOM 0 H VAL A 37 9.563 -27.795 -2.996 1.00 0.00 H new ATOM 0 HA VAL A 37 7.728 -27.728 -0.861 1.00 0.00 H new ATOM 0 HB VAL A 37 9.423 -29.895 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.678 -31.533 -1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.490 -30.763 0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.859 -30.238 -0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.305 -30.412 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.518 -29.021 -2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.901 -28.763 -3.718 1.00 0.00 H new ATOM 612 N LYS A 38 10.720 -27.871 0.237 1.00 0.00 N ATOM 613 CA LYS A 38 11.565 -27.610 1.384 1.00 0.00 C ATOM 614 C LYS A 38 11.177 -26.276 2.059 1.00 0.00 C ATOM 615 O LYS A 38 12.005 -25.359 2.164 1.00 0.00 O ATOM 616 CB LYS A 38 12.985 -27.592 0.814 1.00 0.00 C ATOM 617 CG LYS A 38 14.013 -27.730 1.922 1.00 0.00 C ATOM 618 CD LYS A 38 15.380 -27.102 1.600 1.00 0.00 C ATOM 619 CE LYS A 38 15.471 -25.596 1.912 1.00 0.00 C ATOM 620 NZ LYS A 38 14.553 -24.767 1.095 1.00 0.00 N ATOM 0 H LYS A 38 11.224 -27.708 -0.634 1.00 0.00 H new ATOM 0 HA LYS A 38 11.464 -28.360 2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 38 13.104 -28.405 0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.152 -26.662 0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.618 -27.268 2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.155 -28.788 2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.151 -27.626 2.165 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.599 -27.257 0.543 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.249 -25.437 2.967 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.495 -25.260 1.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.792 -23.762 1.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.649 -25.027 0.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.573 -24.929 1.402 1.00 0.00 H new ATOM 634 N ASN A 39 9.908 -26.146 2.437 1.00 0.00 N ATOM 635 CA ASN A 39 9.380 -25.022 3.204 1.00 0.00 C ATOM 636 C ASN A 39 10.079 -24.933 4.588 1.00 0.00 C ATOM 637 O ASN A 39 10.825 -25.833 4.976 1.00 0.00 O ATOM 638 CB ASN A 39 7.847 -25.157 3.322 1.00 0.00 C ATOM 639 CG ASN A 39 7.068 -25.396 2.045 1.00 0.00 C ATOM 640 OD1 ASN A 39 7.423 -26.114 1.135 1.00 0.00 O ATOM 641 ND2 ASN A 39 5.925 -24.769 1.961 1.00 0.00 N ATOM 0 H ASN A 39 9.197 -26.842 2.211 1.00 0.00 H new ATOM 0 HA ASN A 39 9.592 -24.086 2.687 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.633 -25.978 4.006 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.463 -24.248 3.785 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.339 -24.886 1.134 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.619 -24.163 2.722 1.00 0.00 H new ATOM 648 N ALA A 40 9.853 -23.843 5.328 1.00 0.00 N ATOM 649 CA ALA A 40 10.596 -23.489 6.550 1.00 0.00 C ATOM 650 C ALA A 40 9.716 -23.512 7.829 1.00 0.00 C ATOM 651 O ALA A 40 8.775 -24.292 7.914 1.00 0.00 O ATOM 652 CB ALA A 40 11.283 -22.137 6.278 1.00 0.00 C ATOM 0 H ALA A 40 9.131 -23.163 5.091 1.00 0.00 H new ATOM 0 HA ALA A 40 11.352 -24.242 6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.848 -21.832 7.159 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.960 -22.237 5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.528 -21.384 6.053 1.00 0.00 H new ATOM 658 N MET A 41 10.010 -22.645 8.809 1.00 0.00 N ATOM 659 CA MET A 41 9.287 -22.501 10.088 1.00 0.00 C ATOM 660 C MET A 41 8.757 -21.065 10.274 1.00 0.00 C ATOM 661 O MET A 41 9.232 -20.290 11.101 1.00 0.00 O ATOM 662 CB MET A 41 10.135 -23.015 11.266 1.00 0.00 C ATOM 663 CG MET A 41 11.538 -22.396 11.365 1.00 0.00 C ATOM 664 SD MET A 41 12.447 -22.824 12.875 1.00 0.00 S ATOM 665 CE MET A 41 11.551 -21.810 14.084 1.00 0.00 C ATOM 0 H MET A 41 10.792 -21.995 8.732 1.00 0.00 H new ATOM 0 HA MET A 41 8.402 -23.136 10.064 1.00 0.00 H new ATOM 0 HB2 MET A 41 9.599 -22.818 12.195 1.00 0.00 H new ATOM 0 HB3 MET A 41 10.235 -24.097 11.179 1.00 0.00 H new ATOM 0 HG2 MET A 41 12.123 -22.714 10.502 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.447 -21.311 11.306 1.00 0.00 H new ATOM 0 HE1 MET A 41 12.236 -21.490 14.869 1.00 0.00 H new ATOM 0 HE2 MET A 41 11.135 -20.934 13.587 1.00 0.00 H new ATOM 0 HE3 MET A 41 10.744 -22.396 14.523 1.00 0.00 H new ATOM 675 N THR A 42 7.796 -20.728 9.421 1.00 0.00 N ATOM 676 CA THR A 42 7.177 -19.419 9.162 1.00 0.00 C ATOM 677 C THR A 42 5.733 -19.627 8.693 1.00 0.00 C ATOM 678 O THR A 42 5.253 -20.749 8.561 1.00 0.00 O ATOM 679 CB THR A 42 7.962 -18.672 8.037 1.00 0.00 C ATOM 680 OG1 THR A 42 8.764 -19.532 7.250 1.00 0.00 O ATOM 681 CG2 THR A 42 8.962 -17.729 8.681 1.00 0.00 C ATOM 0 H THR A 42 7.380 -21.442 8.823 1.00 0.00 H new ATOM 0 HA THR A 42 7.197 -18.829 10.078 1.00 0.00 H new ATOM 0 HB THR A 42 7.205 -18.186 7.421 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.657 -19.600 7.647 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.517 -17.201 7.905 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.433 -17.007 9.303 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.656 -18.300 9.298 1.00 0.00 H new ATOM 689 N GLU A 43 5.054 -18.547 8.317 1.00 0.00 N ATOM 690 CA GLU A 43 3.806 -18.550 7.537 1.00 0.00 C ATOM 691 C GLU A 43 3.917 -19.360 6.223 1.00 0.00 C ATOM 692 O GLU A 43 2.909 -19.600 5.567 1.00 0.00 O ATOM 693 CB GLU A 43 3.368 -17.104 7.224 1.00 0.00 C ATOM 694 CG GLU A 43 4.522 -16.129 6.922 1.00 0.00 C ATOM 695 CD GLU A 43 4.943 -15.388 8.200 1.00 0.00 C ATOM 696 OE1 GLU A 43 4.361 -14.308 8.456 1.00 0.00 O ATOM 697 OE2 GLU A 43 5.779 -15.961 8.942 1.00 0.00 O ATOM 0 H GLU A 43 5.365 -17.605 8.554 1.00 0.00 H new ATOM 0 HA GLU A 43 3.054 -19.042 8.154 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.693 -17.121 6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.800 -16.720 8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.372 -16.676 6.514 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.211 -15.411 6.163 1.00 0.00 H new ATOM 704 N THR A 44 5.127 -19.807 5.855 1.00 0.00 N ATOM 705 CA THR A 44 5.552 -20.757 4.787 1.00 0.00 C ATOM 706 C THR A 44 4.668 -22.004 4.535 1.00 0.00 C ATOM 707 O THR A 44 4.940 -22.765 3.609 1.00 0.00 O ATOM 708 CB THR A 44 6.982 -21.209 5.096 1.00 0.00 C ATOM 709 OG1 THR A 44 7.660 -21.707 3.960 1.00 0.00 O ATOM 710 CG2 THR A 44 7.051 -22.258 6.197 1.00 0.00 C ATOM 0 H THR A 44 5.947 -19.472 6.360 1.00 0.00 H new ATOM 0 HA THR A 44 5.456 -20.190 3.861 1.00 0.00 H new ATOM 0 HB THR A 44 7.479 -20.302 5.439 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.278 -21.025 3.623 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.091 -22.537 6.369 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.628 -21.850 7.115 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.484 -23.139 5.896 1.00 0.00 H new ATOM 718 N LEU A 45 3.634 -22.218 5.344 1.00 0.00 N ATOM 719 CA LEU A 45 2.773 -23.395 5.539 1.00 0.00 C ATOM 720 C LEU A 45 1.997 -24.048 4.360 1.00 0.00 C ATOM 721 O LEU A 45 1.197 -24.940 4.609 1.00 0.00 O ATOM 722 CB LEU A 45 1.901 -23.140 6.796 1.00 0.00 C ATOM 723 CG LEU A 45 1.236 -21.768 7.045 1.00 0.00 C ATOM 724 CD1 LEU A 45 0.369 -21.232 5.902 1.00 0.00 C ATOM 725 CD2 LEU A 45 0.365 -21.818 8.300 1.00 0.00 C ATOM 0 H LEU A 45 3.335 -21.468 5.967 1.00 0.00 H new ATOM 0 HA LEU A 45 3.486 -24.211 5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.103 -23.883 6.786 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.524 -23.354 7.664 1.00 0.00 H new ATOM 0 HG LEU A 45 2.080 -21.085 7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.048 -20.265 6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.979 -21.117 5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.442 -21.932 5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.096 -20.844 8.462 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.413 -22.571 8.173 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.982 -22.075 9.161 1.00 0.00 H new ATOM 737 N LEU A 46 2.214 -23.695 3.089 1.00 0.00 N ATOM 738 CA LEU A 46 1.613 -24.370 1.912 1.00 0.00 C ATOM 739 C LEU A 46 2.643 -24.444 0.763 1.00 0.00 C ATOM 740 O LEU A 46 3.719 -23.893 0.883 1.00 0.00 O ATOM 741 CB LEU A 46 0.324 -23.703 1.383 1.00 0.00 C ATOM 742 CG LEU A 46 -0.490 -22.590 2.067 1.00 0.00 C ATOM 743 CD1 LEU A 46 -1.154 -22.886 3.390 1.00 0.00 C ATOM 744 CD2 LEU A 46 0.343 -21.335 2.137 1.00 0.00 C ATOM 0 H LEU A 46 2.823 -22.918 2.834 1.00 0.00 H new ATOM 0 HA LEU A 46 1.332 -25.364 2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.584 -23.309 0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.380 -24.520 1.223 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.359 -22.472 1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.686 -22.000 3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.859 -23.708 3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.397 -23.164 4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.230 -20.544 2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.248 -21.531 2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.614 -21.022 1.129 1.00 0.00 H new ATOM 756 N VAL A 47 2.325 -25.016 -0.399 1.00 0.00 N ATOM 757 CA VAL A 47 3.184 -24.985 -1.597 1.00 0.00 C ATOM 758 C VAL A 47 2.342 -24.816 -2.867 1.00 0.00 C ATOM 759 O VAL A 47 1.428 -25.607 -3.079 1.00 0.00 O ATOM 760 CB VAL A 47 4.000 -26.292 -1.740 1.00 0.00 C ATOM 761 CG1 VAL A 47 5.287 -25.924 -2.467 1.00 0.00 C ATOM 762 CG2 VAL A 47 4.377 -27.052 -0.463 1.00 0.00 C ATOM 0 H VAL A 47 1.452 -25.523 -0.543 1.00 0.00 H new ATOM 0 HA VAL A 47 3.861 -24.139 -1.476 1.00 0.00 H new ATOM 0 HB VAL A 47 3.340 -26.983 -2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.901 -26.816 -2.594 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.046 -25.507 -3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.836 -25.185 -1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.946 -27.944 -0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.983 -26.410 0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.471 -27.343 0.068 1.00 0.00 H new ATOM 772 N GLN A 48 2.601 -23.835 -3.741 1.00 0.00 N ATOM 773 CA GLN A 48 1.856 -23.693 -5.015 1.00 0.00 C ATOM 774 C GLN A 48 2.040 -24.899 -5.952 1.00 0.00 C ATOM 775 O GLN A 48 1.171 -25.199 -6.762 1.00 0.00 O ATOM 776 CB GLN A 48 2.230 -22.379 -5.716 1.00 0.00 C ATOM 777 CG GLN A 48 1.689 -21.175 -4.929 1.00 0.00 C ATOM 778 CD GLN A 48 2.088 -19.797 -5.455 1.00 0.00 C ATOM 779 OE1 GLN A 48 1.604 -18.767 -5.023 1.00 0.00 O ATOM 780 NE2 GLN A 48 3.060 -19.668 -6.326 1.00 0.00 N ATOM 0 H GLN A 48 3.319 -23.125 -3.597 1.00 0.00 H new ATOM 0 HA GLN A 48 0.796 -23.664 -4.762 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.314 -22.304 -5.807 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.824 -22.372 -6.728 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.601 -21.235 -4.914 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.027 -21.260 -3.896 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.503 -20.497 -6.722 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.373 -18.739 -6.607 1.00 0.00 H new ATOM 789 N ASN A 49 3.130 -25.655 -5.776 1.00 0.00 N ATOM 790 CA ASN A 49 3.375 -26.947 -6.407 1.00 0.00 C ATOM 791 C ASN A 49 2.471 -28.104 -5.926 1.00 0.00 C ATOM 792 O ASN A 49 2.574 -29.203 -6.466 1.00 0.00 O ATOM 793 CB ASN A 49 4.854 -27.284 -6.144 1.00 0.00 C ATOM 794 CG ASN A 49 5.698 -27.009 -7.355 1.00 0.00 C ATOM 795 OD1 ASN A 49 6.262 -25.944 -7.541 1.00 0.00 O ATOM 796 ND2 ASN A 49 5.766 -27.974 -8.229 1.00 0.00 N ATOM 0 H ASN A 49 3.894 -25.367 -5.164 1.00 0.00 H new ATOM 0 HA ASN A 49 3.135 -26.852 -7.466 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.219 -26.696 -5.302 1.00 0.00 H new ATOM 0 HB3 ASN A 49 4.946 -28.333 -5.864 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.299 -27.846 -9.089 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.286 -28.857 -8.053 1.00 0.00 H new ATOM 803 N ALA A 50 1.655 -27.905 -4.886 1.00 0.00 N ATOM 804 CA ALA A 50 0.922 -28.967 -4.201 1.00 0.00 C ATOM 805 C ALA A 50 0.011 -29.833 -5.102 1.00 0.00 C ATOM 806 O ALA A 50 -0.626 -29.383 -6.059 1.00 0.00 O ATOM 807 CB ALA A 50 0.174 -28.350 -3.016 1.00 0.00 C ATOM 0 H ALA A 50 1.484 -26.980 -4.491 1.00 0.00 H new ATOM 0 HA ALA A 50 1.655 -29.692 -3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.380 -29.128 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.889 -27.890 -2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.520 -27.592 -3.379 1.00 0.00 H new ATOM 813 N ASN A 51 -0.094 -31.089 -4.685 1.00 0.00 N ATOM 814 CA ASN A 51 -0.640 -32.281 -5.337 1.00 0.00 C ATOM 815 C ASN A 51 -2.182 -32.326 -5.390 1.00 0.00 C ATOM 816 O ASN A 51 -2.846 -31.455 -4.828 1.00 0.00 O ATOM 817 CB ASN A 51 -0.149 -33.488 -4.495 1.00 0.00 C ATOM 818 CG ASN A 51 1.317 -33.473 -4.106 1.00 0.00 C ATOM 819 OD1 ASN A 51 1.812 -32.591 -3.424 1.00 0.00 O ATOM 820 ND2 ASN A 51 2.037 -34.492 -4.478 1.00 0.00 N ATOM 0 H ASN A 51 0.248 -31.330 -3.755 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.303 -32.289 -6.374 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.746 -33.537 -3.584 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.347 -34.402 -5.056 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.016 -34.554 -4.199 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.622 -35.229 -5.048 1.00 0.00 H new ATOM 827 N PRO A 52 -2.803 -33.322 -6.052 1.00 0.00 N ATOM 828 CA PRO A 52 -4.231 -33.576 -5.849 1.00 0.00 C ATOM 829 C PRO A 52 -4.482 -34.100 -4.419 1.00 0.00 C ATOM 830 O PRO A 52 -5.464 -33.695 -3.798 1.00 0.00 O ATOM 831 CB PRO A 52 -4.628 -34.597 -6.922 1.00 0.00 C ATOM 832 CG PRO A 52 -3.314 -35.294 -7.279 1.00 0.00 C ATOM 833 CD PRO A 52 -2.268 -34.194 -7.092 1.00 0.00 C ATOM 0 HA PRO A 52 -4.832 -32.672 -5.945 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.365 -35.306 -6.544 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.070 -34.110 -7.791 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.121 -36.147 -6.628 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.323 -35.670 -8.302 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.306 -34.613 -6.797 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.105 -33.645 -8.019 1.00 0.00 H new ATOM 841 N ASP A 53 -3.562 -34.933 -3.908 1.00 0.00 N ATOM 842 CA ASP A 53 -3.565 -35.574 -2.581 1.00 0.00 C ATOM 843 C ASP A 53 -3.660 -34.580 -1.410 1.00 0.00 C ATOM 844 O ASP A 53 -4.779 -34.307 -0.962 1.00 0.00 O ATOM 845 CB ASP A 53 -2.332 -36.491 -2.487 1.00 0.00 C ATOM 846 CG ASP A 53 -2.274 -37.244 -1.156 1.00 0.00 C ATOM 847 OD1 ASP A 53 -2.916 -38.308 -1.075 1.00 0.00 O ATOM 848 OD2 ASP A 53 -1.586 -36.742 -0.239 1.00 0.00 O ATOM 0 H ASP A 53 -2.738 -35.196 -4.448 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.473 -36.169 -2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.351 -37.208 -3.308 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.427 -35.894 -2.605 1.00 0.00 H new ATOM 853 N CYS A 54 -2.533 -33.991 -0.969 1.00 0.00 N ATOM 854 CA CYS A 54 -2.475 -33.064 0.162 1.00 0.00 C ATOM 855 C CYS A 54 -3.678 -32.124 0.195 1.00 0.00 C ATOM 856 O CYS A 54 -4.506 -32.161 1.100 1.00 0.00 O ATOM 857 CB CYS A 54 -1.158 -32.251 0.140 1.00 0.00 C ATOM 858 SG CYS A 54 -0.694 -31.649 -1.509 1.00 0.00 S ATOM 0 H CYS A 54 -1.623 -34.153 -1.401 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.503 -33.666 1.070 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.257 -31.399 0.813 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.352 -32.873 0.529 1.00 0.00 H new ATOM 0 HG CYS A 54 0.376 -32.267 -1.911 1.00 0.00 H new ATOM 864 N LYS A 55 -3.813 -31.316 -0.848 1.00 0.00 N ATOM 865 CA LYS A 55 -4.866 -30.307 -0.994 1.00 0.00 C ATOM 866 C LYS A 55 -6.248 -30.823 -0.636 1.00 0.00 C ATOM 867 O LYS A 55 -6.903 -30.226 0.214 1.00 0.00 O ATOM 868 CB LYS A 55 -4.849 -29.788 -2.425 1.00 0.00 C ATOM 869 CG LYS A 55 -3.926 -28.557 -2.566 1.00 0.00 C ATOM 870 CD LYS A 55 -3.176 -28.468 -3.900 1.00 0.00 C ATOM 871 CE LYS A 55 -4.077 -28.567 -5.141 1.00 0.00 C ATOM 872 NZ LYS A 55 -3.310 -29.090 -6.294 1.00 0.00 N ATOM 0 H LYS A 55 -3.175 -31.342 -1.643 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.655 -29.504 -0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.511 -30.577 -3.096 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.861 -29.523 -2.730 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.525 -27.655 -2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.197 -28.571 -1.755 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.632 -27.524 -3.935 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.434 -29.265 -3.940 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.924 -29.221 -4.932 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.484 -27.585 -5.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.701 -28.702 -7.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.313 -28.808 -6.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.376 -30.128 -6.313 1.00 0.00 H new ATOM 886 N THR A 56 -6.661 -31.927 -1.255 1.00 0.00 N ATOM 887 CA THR A 56 -7.968 -32.555 -1.055 1.00 0.00 C ATOM 888 C THR A 56 -8.170 -33.041 0.379 1.00 0.00 C ATOM 889 O THR A 56 -9.315 -33.057 0.839 1.00 0.00 O ATOM 890 CB THR A 56 -8.149 -33.718 -2.041 1.00 0.00 C ATOM 891 OG1 THR A 56 -8.049 -33.194 -3.343 1.00 0.00 O ATOM 892 CG2 THR A 56 -9.510 -34.408 -1.976 1.00 0.00 C ATOM 0 H THR A 56 -6.080 -32.425 -1.929 1.00 0.00 H new ATOM 0 HA THR A 56 -8.725 -31.794 -1.243 1.00 0.00 H new ATOM 0 HB THR A 56 -7.388 -34.453 -1.780 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.176 -33.427 -3.723 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.544 -35.215 -2.708 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.663 -34.817 -0.977 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.295 -33.685 -2.196 1.00 0.00 H new ATOM 900 N ILE A 57 -7.083 -33.375 1.074 1.00 0.00 N ATOM 901 CA ILE A 57 -7.099 -34.040 2.395 1.00 0.00 C ATOM 902 C ILE A 57 -6.990 -33.024 3.535 1.00 0.00 C ATOM 903 O ILE A 57 -7.910 -32.896 4.348 1.00 0.00 O ATOM 904 CB ILE A 57 -5.960 -35.082 2.456 1.00 0.00 C ATOM 905 CG1 ILE A 57 -6.245 -36.221 1.456 1.00 0.00 C ATOM 906 CG2 ILE A 57 -5.761 -35.666 3.868 1.00 0.00 C ATOM 907 CD1 ILE A 57 -4.975 -37.002 1.129 1.00 0.00 C ATOM 0 H ILE A 57 -6.139 -33.190 0.734 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.053 -34.551 2.522 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.037 -34.566 2.190 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.992 -36.896 1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.666 -35.807 0.540 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.948 -36.392 3.850 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.515 -34.863 4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.679 -36.157 4.191 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.209 -37.798 0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.238 -36.330 0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.570 -37.436 2.043 1.00 0.00 H new ATOM 919 N LEU A 58 -5.914 -32.232 3.577 1.00 0.00 N ATOM 920 CA LEU A 58 -5.735 -31.152 4.529 1.00 0.00 C ATOM 921 C LEU A 58 -6.892 -30.170 4.573 1.00 0.00 C ATOM 922 O LEU A 58 -7.109 -29.618 5.649 1.00 0.00 O ATOM 923 CB LEU A 58 -4.474 -30.394 4.195 1.00 0.00 C ATOM 924 CG LEU A 58 -3.219 -31.212 4.491 1.00 0.00 C ATOM 925 CD1 LEU A 58 -2.751 -32.124 3.380 1.00 0.00 C ATOM 926 CD2 LEU A 58 -2.137 -30.180 4.727 1.00 0.00 C ATOM 0 H LEU A 58 -5.130 -32.333 2.932 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.678 -31.621 5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.486 -30.117 3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.446 -29.467 4.768 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.438 -31.876 5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.854 -32.655 3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.535 -32.844 3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.526 -31.531 2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.196 -30.684 4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.019 -29.566 3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.416 -29.547 5.569 1.00 0.00 H new ATOM 938 N LYS A 59 -7.666 -30.072 3.474 1.00 0.00 N ATOM 939 CA LYS A 59 -8.995 -29.383 3.465 1.00 0.00 C ATOM 940 C LYS A 59 -9.749 -29.527 4.803 1.00 0.00 C ATOM 941 O LYS A 59 -10.434 -28.614 5.253 1.00 0.00 O ATOM 942 CB LYS A 59 -9.984 -29.934 2.426 1.00 0.00 C ATOM 943 CG LYS A 59 -9.755 -29.585 0.954 1.00 0.00 C ATOM 944 CD LYS A 59 -11.066 -29.405 0.170 1.00 0.00 C ATOM 945 CE LYS A 59 -12.101 -30.515 0.421 1.00 0.00 C ATOM 946 NZ LYS A 59 -11.665 -31.854 -0.057 1.00 0.00 N ATOM 0 H LYS A 59 -7.401 -30.461 2.569 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.719 -28.352 3.242 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.988 -31.020 2.514 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.981 -29.588 2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.171 -28.667 0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.164 -30.373 0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.507 -28.444 0.435 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.838 -29.368 -0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.310 -30.570 1.489 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.035 -30.248 -0.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.344 -32.574 0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.622 -31.855 -1.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.724 -32.071 0.328 1.00 0.00 H new ATOM 960 N ALA A 60 -9.634 -30.720 5.389 1.00 0.00 N ATOM 961 CA ALA A 60 -10.088 -31.062 6.732 1.00 0.00 C ATOM 962 C ALA A 60 -8.934 -31.394 7.710 1.00 0.00 C ATOM 963 O ALA A 60 -9.036 -31.116 8.905 1.00 0.00 O ATOM 964 CB ALA A 60 -11.031 -32.262 6.570 1.00 0.00 C ATOM 0 H ALA A 60 -9.200 -31.511 4.914 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.587 -30.202 7.178 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.405 -32.565 7.548 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.869 -31.983 5.931 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.489 -33.092 6.115 1.00 0.00 H new ATOM 970 N LEU A 61 -7.812 -31.941 7.222 1.00 0.00 N ATOM 971 CA LEU A 61 -6.738 -32.535 8.041 1.00 0.00 C ATOM 972 C LEU A 61 -5.607 -31.589 8.468 1.00 0.00 C ATOM 973 O LEU A 61 -4.675 -31.952 9.178 1.00 0.00 O ATOM 974 CB LEU A 61 -6.232 -33.815 7.351 1.00 0.00 C ATOM 975 CG LEU A 61 -6.325 -35.061 8.249 1.00 0.00 C ATOM 976 CD1 LEU A 61 -7.781 -35.450 8.544 1.00 0.00 C ATOM 977 CD2 LEU A 61 -5.659 -36.257 7.566 1.00 0.00 C ATOM 0 H LEU A 61 -7.618 -31.985 6.222 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.186 -32.784 9.003 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.811 -33.985 6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.196 -33.671 7.046 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.821 -34.810 9.182 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.799 -36.334 9.181 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.282 -34.626 9.052 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.297 -35.666 7.608 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.732 -37.132 8.212 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.161 -36.462 6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.609 -36.031 7.379 1.00 0.00 H new ATOM 989 N GLY A 62 -5.776 -30.328 8.112 1.00 0.00 N ATOM 990 CA GLY A 62 -4.949 -29.181 8.492 1.00 0.00 C ATOM 991 C GLY A 62 -5.781 -28.112 9.188 1.00 0.00 C ATOM 992 O GLY A 62 -5.768 -26.963 8.745 1.00 0.00 O ATOM 0 H GLY A 62 -6.549 -30.052 7.506 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.147 -29.510 9.153 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.477 -28.759 7.605 1.00 0.00 H new ATOM 996 N PRO A 63 -6.479 -28.431 10.301 1.00 0.00 N ATOM 997 CA PRO A 63 -7.501 -27.579 10.915 1.00 0.00 C ATOM 998 C PRO A 63 -7.043 -26.251 11.538 1.00 0.00 C ATOM 999 O PRO A 63 -7.866 -25.608 12.192 1.00 0.00 O ATOM 1000 CB PRO A 63 -8.230 -28.487 11.919 1.00 0.00 C ATOM 1001 CG PRO A 63 -7.136 -29.457 12.353 1.00 0.00 C ATOM 1002 CD PRO A 63 -6.387 -29.685 11.046 1.00 0.00 C ATOM 0 HA PRO A 63 -8.146 -27.198 10.123 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.627 -27.921 12.762 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.071 -29.005 11.459 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.494 -29.031 13.124 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.546 -30.383 12.756 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.347 -29.951 11.234 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.829 -30.506 10.482 1.00 0.00 H new ATOM 1010 N ALA A 64 -5.799 -25.846 11.267 1.00 0.00 N ATOM 1011 CA ALA A 64 -5.115 -24.554 11.520 1.00 0.00 C ATOM 1012 C ALA A 64 -3.712 -24.666 12.165 1.00 0.00 C ATOM 1013 O ALA A 64 -3.123 -23.632 12.458 1.00 0.00 O ATOM 1014 CB ALA A 64 -5.981 -23.509 12.253 1.00 0.00 C ATOM 0 H ALA A 64 -5.158 -26.492 10.806 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.952 -24.181 10.509 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.404 -22.595 12.397 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.867 -23.289 11.658 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.284 -23.904 13.223 1.00 0.00 H new ATOM 1020 N ALA A 65 -3.167 -25.875 12.362 1.00 0.00 N ATOM 1021 CA ALA A 65 -1.793 -26.073 12.855 1.00 0.00 C ATOM 1022 C ALA A 65 -1.111 -27.259 12.159 1.00 0.00 C ATOM 1023 O ALA A 65 -0.173 -27.054 11.405 1.00 0.00 O ATOM 1024 CB ALA A 65 -1.833 -26.237 14.381 1.00 0.00 C ATOM 0 H ALA A 65 -3.666 -26.746 12.184 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.189 -25.198 12.613 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.821 -26.384 14.758 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.261 -25.342 14.832 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.445 -27.101 14.638 1.00 0.00 H new ATOM 1030 N THR A 66 -1.657 -28.479 12.263 1.00 0.00 N ATOM 1031 CA THR A 66 -1.054 -29.719 11.713 1.00 0.00 C ATOM 1032 C THR A 66 -0.669 -29.672 10.227 1.00 0.00 C ATOM 1033 O THR A 66 0.140 -30.467 9.768 1.00 0.00 O ATOM 1034 CB THR A 66 -1.979 -30.933 11.930 1.00 0.00 C ATOM 1035 OG1 THR A 66 -2.818 -30.751 13.055 1.00 0.00 O ATOM 1036 CG2 THR A 66 -1.196 -32.223 12.166 1.00 0.00 C ATOM 0 H THR A 66 -2.545 -28.643 12.738 1.00 0.00 H new ATOM 0 HA THR A 66 -0.125 -29.815 12.274 1.00 0.00 H new ATOM 0 HB THR A 66 -2.567 -31.014 11.016 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.393 -31.537 13.165 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.892 -33.049 12.313 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.566 -32.429 11.301 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.571 -32.112 13.052 1.00 0.00 H new ATOM 1044 N LEU A 67 -1.209 -28.733 9.452 1.00 0.00 N ATOM 1045 CA LEU A 67 -0.772 -28.489 8.079 1.00 0.00 C ATOM 1046 C LEU A 67 0.753 -28.285 7.969 1.00 0.00 C ATOM 1047 O LEU A 67 1.379 -28.825 7.072 1.00 0.00 O ATOM 1048 CB LEU A 67 -1.559 -27.277 7.578 1.00 0.00 C ATOM 1049 CG LEU A 67 -1.610 -26.980 6.057 1.00 0.00 C ATOM 1050 CD1 LEU A 67 -1.769 -25.475 5.903 1.00 0.00 C ATOM 1051 CD2 LEU A 67 -0.368 -27.432 5.340 1.00 0.00 C ATOM 0 H LEU A 67 -1.963 -28.119 9.759 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.973 -29.361 7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.586 -27.388 7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.150 -26.395 8.070 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.441 -27.528 5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.810 -25.220 4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.691 -25.155 6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.921 -24.970 6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.456 -27.200 4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.499 -26.916 5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.245 -28.508 5.468 1.00 0.00 H new ATOM 1063 N GLU A 68 1.366 -27.554 8.883 1.00 0.00 N ATOM 1064 CA GLU A 68 2.829 -27.338 8.945 1.00 0.00 C ATOM 1065 C GLU A 68 3.680 -28.603 8.736 1.00 0.00 C ATOM 1066 O GLU A 68 4.796 -28.519 8.234 1.00 0.00 O ATOM 1067 CB GLU A 68 3.203 -26.650 10.273 1.00 0.00 C ATOM 1068 CG GLU A 68 2.484 -25.311 10.391 1.00 0.00 C ATOM 1069 CD GLU A 68 2.832 -24.520 11.671 1.00 0.00 C ATOM 1070 OE1 GLU A 68 3.842 -23.779 11.649 1.00 0.00 O ATOM 1071 OE2 GLU A 68 2.056 -24.637 12.648 1.00 0.00 O ATOM 0 H GLU A 68 0.861 -27.075 9.629 1.00 0.00 H new ATOM 0 HA GLU A 68 3.067 -26.693 8.099 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.933 -27.291 11.112 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.281 -26.498 10.322 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.729 -24.701 9.522 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.408 -25.485 10.365 1.00 0.00 H new ATOM 1078 N GLU A 69 3.137 -29.773 9.066 1.00 0.00 N ATOM 1079 CA GLU A 69 3.733 -31.052 8.618 1.00 0.00 C ATOM 1080 C GLU A 69 3.176 -31.534 7.261 1.00 0.00 C ATOM 1081 O GLU A 69 3.921 -31.900 6.347 1.00 0.00 O ATOM 1082 CB GLU A 69 3.630 -32.156 9.682 1.00 0.00 C ATOM 1083 CG GLU A 69 2.227 -32.596 10.123 1.00 0.00 C ATOM 1084 CD GLU A 69 2.231 -34.034 10.646 1.00 0.00 C ATOM 1085 OE1 GLU A 69 2.122 -34.942 9.790 1.00 0.00 O ATOM 1086 OE2 GLU A 69 2.325 -34.198 11.885 1.00 0.00 O ATOM 0 H GLU A 69 2.296 -29.873 9.634 1.00 0.00 H new ATOM 0 HA GLU A 69 4.792 -30.839 8.470 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.153 -33.035 9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.169 -31.819 10.567 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.862 -31.925 10.901 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.538 -32.515 9.283 1.00 0.00 H new ATOM 1093 N MET A 70 1.852 -31.507 7.093 1.00 0.00 N ATOM 1094 CA MET A 70 1.135 -32.072 5.938 1.00 0.00 C ATOM 1095 C MET A 70 1.338 -31.351 4.590 1.00 0.00 C ATOM 1096 O MET A 70 1.151 -31.954 3.532 1.00 0.00 O ATOM 1097 CB MET A 70 -0.336 -32.199 6.298 1.00 0.00 C ATOM 1098 CG MET A 70 -0.660 -32.900 7.593 1.00 0.00 C ATOM 1099 SD MET A 70 -2.207 -33.846 7.570 1.00 0.00 S ATOM 1100 CE MET A 70 -1.993 -34.738 9.132 1.00 0.00 C ATOM 0 H MET A 70 1.226 -31.079 7.776 1.00 0.00 H new ATOM 0 HA MET A 70 1.580 -33.049 5.750 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.764 -31.197 6.337 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.839 -32.729 5.489 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.160 -33.574 7.841 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.715 -32.158 8.389 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.854 -35.385 9.303 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.088 -35.344 9.084 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.908 -34.023 9.951 1.00 0.00 H new ATOM 1110 N MET A 71 1.763 -30.084 4.622 1.00 0.00 N ATOM 1111 CA MET A 71 2.126 -29.214 3.481 1.00 0.00 C ATOM 1112 C MET A 71 3.070 -29.901 2.489 1.00 0.00 C ATOM 1113 O MET A 71 2.986 -29.690 1.279 1.00 0.00 O ATOM 1114 CB MET A 71 2.657 -27.845 3.993 1.00 0.00 C ATOM 1115 CG MET A 71 4.053 -27.379 3.541 1.00 0.00 C ATOM 1116 SD MET A 71 5.404 -27.863 4.647 1.00 0.00 S ATOM 1117 CE MET A 71 5.301 -26.541 5.883 1.00 0.00 C ATOM 0 H MET A 71 1.873 -29.596 5.511 1.00 0.00 H new ATOM 0 HA MET A 71 1.221 -29.016 2.906 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.940 -27.080 3.695 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.655 -27.876 5.083 1.00 0.00 H new ATOM 0 HG2 MET A 71 4.252 -27.781 2.548 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.047 -26.293 3.450 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.902 -26.808 6.752 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.676 -25.612 5.454 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.263 -26.407 6.187 1.00 0.00 H new ATOM 1127 N THR A 72 3.898 -30.770 3.053 1.00 0.00 N ATOM 1128 CA THR A 72 4.990 -31.493 2.424 1.00 0.00 C ATOM 1129 C THR A 72 4.991 -32.968 2.793 1.00 0.00 C ATOM 1130 O THR A 72 5.418 -33.763 1.962 1.00 0.00 O ATOM 1131 CB THR A 72 6.288 -30.831 2.871 1.00 0.00 C ATOM 1132 OG1 THR A 72 6.386 -29.625 2.152 1.00 0.00 O ATOM 1133 CG2 THR A 72 7.588 -31.606 2.668 1.00 0.00 C ATOM 0 H THR A 72 3.815 -31.005 4.042 1.00 0.00 H new ATOM 0 HA THR A 72 4.877 -31.450 1.341 1.00 0.00 H new ATOM 0 HB THR A 72 6.208 -30.733 3.954 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.121 -28.878 2.728 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.426 -31.012 3.032 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.542 -32.545 3.220 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.725 -31.815 1.607 1.00 0.00 H new ATOM 1141 N ALA A 73 4.472 -33.396 3.953 1.00 0.00 N ATOM 1142 CA ALA A 73 4.310 -34.827 4.207 1.00 0.00 C ATOM 1143 C ALA A 73 3.351 -35.440 3.174 1.00 0.00 C ATOM 1144 O ALA A 73 3.580 -36.538 2.661 1.00 0.00 O ATOM 1145 CB ALA A 73 3.846 -35.071 5.647 1.00 0.00 C ATOM 0 H ALA A 73 4.165 -32.786 4.711 1.00 0.00 H new ATOM 0 HA ALA A 73 5.274 -35.324 4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.731 -36.142 5.816 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.586 -34.671 6.340 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.890 -34.574 5.810 1.00 0.00 H new ATOM 1151 N CYS A 74 2.355 -34.667 2.732 1.00 0.00 N ATOM 1152 CA CYS A 74 1.330 -35.174 1.822 1.00 0.00 C ATOM 1153 C CYS A 74 1.707 -34.894 0.353 1.00 0.00 C ATOM 1154 O CYS A 74 0.860 -34.735 -0.523 1.00 0.00 O ATOM 1155 CB CYS A 74 -0.053 -34.738 2.314 1.00 0.00 C ATOM 1156 SG CYS A 74 -0.288 -35.384 3.999 1.00 0.00 S ATOM 0 H CYS A 74 2.239 -33.687 2.991 1.00 0.00 H new ATOM 0 HA CYS A 74 1.273 -36.262 1.833 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.133 -33.651 2.309 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.830 -35.117 1.650 1.00 0.00 H new ATOM 0 HG CYS A 74 -1.456 -35.025 4.442 1.00 0.00 H new ATOM 1162 N GLN A 75 3.022 -34.839 0.084 1.00 0.00 N ATOM 1163 CA GLN A 75 3.598 -34.848 -1.263 1.00 0.00 C ATOM 1164 C GLN A 75 3.455 -36.219 -1.948 1.00 0.00 C ATOM 1165 O GLN A 75 3.720 -36.333 -3.141 1.00 0.00 O ATOM 1166 CB GLN A 75 5.086 -34.454 -1.208 1.00 0.00 C ATOM 1167 CG GLN A 75 6.013 -35.543 -0.629 1.00 0.00 C ATOM 1168 CD GLN A 75 7.452 -35.057 -0.507 1.00 0.00 C ATOM 1169 OE1 GLN A 75 8.304 -35.326 -1.335 1.00 0.00 O ATOM 1170 NE2 GLN A 75 7.782 -34.341 0.543 1.00 0.00 N ATOM 0 H GLN A 75 3.728 -34.786 0.818 1.00 0.00 H new ATOM 0 HA GLN A 75 3.042 -34.120 -1.854 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.421 -34.207 -2.215 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.188 -33.550 -0.607 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.648 -35.847 0.352 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.981 -36.425 -1.268 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.078 -34.109 1.244 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.742 -34.017 0.658 1.00 0.00 H new ATOM 1179 N GLY A 76 3.113 -37.265 -1.189 1.00 0.00 N ATOM 1180 CA GLY A 76 3.083 -38.650 -1.657 1.00 0.00 C ATOM 1181 C GLY A 76 2.977 -39.703 -0.550 1.00 0.00 C ATOM 1182 O GLY A 76 2.799 -40.873 -0.868 1.00 0.00 O ATOM 0 H GLY A 76 2.844 -37.167 -0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.238 -38.771 -2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.986 -38.842 -2.236 1.00 0.00 H new ATOM 1186 N VAL A 77 3.069 -39.325 0.737 1.00 0.00 N ATOM 1187 CA VAL A 77 2.759 -40.257 1.846 1.00 0.00 C ATOM 1188 C VAL A 77 1.261 -40.591 1.906 1.00 0.00 C ATOM 1189 O VAL A 77 0.903 -41.698 2.301 1.00 0.00 O ATOM 1190 CB VAL A 77 3.236 -39.702 3.208 1.00 0.00 C ATOM 1191 CG1 VAL A 77 2.951 -40.641 4.388 1.00 0.00 C ATOM 1192 CG2 VAL A 77 4.754 -39.455 3.201 1.00 0.00 C ATOM 0 H VAL A 77 3.352 -38.392 1.037 1.00 0.00 H new ATOM 0 HA VAL A 77 3.306 -41.178 1.641 1.00 0.00 H new ATOM 0 HB VAL A 77 2.674 -38.778 3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.313 -40.186 5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.877 -40.813 4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.460 -41.591 4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.064 -39.065 4.171 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.274 -40.392 3.004 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.001 -38.732 2.423 1.00 0.00 H new ATOM 1202 N GLY A 78 0.390 -39.662 1.489 1.00 0.00 N ATOM 1203 CA GLY A 78 -1.061 -39.760 1.657 1.00 0.00 C ATOM 1204 C GLY A 78 -1.495 -39.823 3.128 1.00 0.00 C ATOM 1205 O GLY A 78 -0.718 -39.555 4.046 1.00 0.00 O ATOM 0 H GLY A 78 0.683 -38.806 1.017 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.534 -38.901 1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.421 -40.649 1.140 1.00 0.00 H new ATOM 1209 N GLY A 79 -2.754 -40.203 3.355 1.00 0.00 N ATOM 1210 CA GLY A 79 -3.299 -40.462 4.690 1.00 0.00 C ATOM 1211 C GLY A 79 -4.336 -41.593 4.681 1.00 0.00 C ATOM 1212 O GLY A 79 -4.856 -41.934 3.619 1.00 0.00 O ATOM 0 H GLY A 79 -3.433 -40.341 2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.486 -40.721 5.369 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.759 -39.552 5.076 1.00 0.00 H new ATOM 1216 N PRO A 80 -4.665 -42.181 5.848 1.00 0.00 N ATOM 1217 CA PRO A 80 -5.475 -43.405 5.941 1.00 0.00 C ATOM 1218 C PRO A 80 -6.959 -43.229 5.572 1.00 0.00 C ATOM 1219 O PRO A 80 -7.676 -44.217 5.438 1.00 0.00 O ATOM 1220 CB PRO A 80 -5.301 -43.887 7.387 1.00 0.00 C ATOM 1221 CG PRO A 80 -5.012 -42.602 8.162 1.00 0.00 C ATOM 1222 CD PRO A 80 -4.196 -41.778 7.166 1.00 0.00 C ATOM 0 HA PRO A 80 -5.130 -44.132 5.206 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.199 -44.384 7.755 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -4.483 -44.601 7.476 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.930 -42.091 8.453 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.453 -42.799 9.077 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.345 -40.710 7.326 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.129 -41.971 7.278 1.00 0.00 H new ATOM 1230 N GLY A 81 -7.429 -41.989 5.417 1.00 0.00 N ATOM 1231 CA GLY A 81 -8.779 -41.659 4.965 1.00 0.00 C ATOM 1232 C GLY A 81 -9.269 -40.321 5.518 1.00 0.00 C ATOM 1233 O GLY A 81 -8.684 -39.758 6.446 1.00 0.00 O ATOM 0 H GLY A 81 -6.862 -41.163 5.609 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.797 -41.627 3.876 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.465 -42.449 5.272 1.00 0.00 H new ATOM 1237 N HIS A 82 -10.368 -39.806 4.963 1.00 0.00 N ATOM 1238 CA HIS A 82 -11.074 -38.648 5.531 1.00 0.00 C ATOM 1239 C HIS A 82 -11.991 -39.052 6.700 1.00 0.00 C ATOM 1240 O HIS A 82 -12.150 -40.238 6.994 1.00 0.00 O ATOM 1241 CB HIS A 82 -11.848 -37.910 4.422 1.00 0.00 C ATOM 1242 CG HIS A 82 -13.195 -38.474 4.021 1.00 0.00 C ATOM 1243 ND1 HIS A 82 -13.660 -39.750 4.198 1.00 0.00 N flip ATOM 1244 CD2 HIS A 82 -14.193 -37.722 3.402 1.00 0.00 C flip ATOM 1245 CE1 HIS A 82 -14.937 -39.778 3.687 1.00 0.00 C flip ATOM 1246 NE2 HIS A 82 -15.228 -38.552 3.215 1.00 0.00 N flip ATOM 0 H HIS A 82 -10.794 -40.175 4.113 1.00 0.00 H new ATOM 0 HA HIS A 82 -10.334 -37.964 5.947 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -11.996 -36.879 4.743 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -11.217 -37.880 3.534 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -14.142 -36.679 3.128 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -15.593 -40.636 3.668 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -16.111 -38.291 2.777 1.00 0.00 H new ATOM 1254 N LYS A 83 -12.658 -38.084 7.338 1.00 0.00 N ATOM 1255 CA LYS A 83 -13.702 -38.336 8.336 1.00 0.00 C ATOM 1256 C LYS A 83 -14.739 -37.214 8.325 1.00 0.00 C ATOM 1257 O LYS A 83 -14.419 -36.082 8.679 1.00 0.00 O ATOM 1258 CB LYS A 83 -13.013 -38.460 9.696 1.00 0.00 C ATOM 1259 CG LYS A 83 -13.994 -38.780 10.838 1.00 0.00 C ATOM 1260 CD LYS A 83 -13.295 -38.849 12.204 1.00 0.00 C ATOM 1261 CE LYS A 83 -12.261 -39.983 12.262 1.00 0.00 C ATOM 1262 NZ LYS A 83 -11.566 -40.026 13.573 1.00 0.00 N ATOM 0 H LYS A 83 -12.486 -37.092 7.174 1.00 0.00 H new ATOM 0 HA LYS A 83 -14.242 -39.256 8.112 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.256 -39.243 9.644 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.493 -37.529 9.921 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.773 -38.018 10.869 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -14.486 -39.731 10.636 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.803 -37.898 12.408 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -14.040 -38.997 12.986 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.757 -40.937 12.081 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.529 -39.849 11.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.876 -40.804 13.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.072 -39.125 13.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.262 -40.179 14.330 1.00 0.00 H new ATOM 1276 N ALA A 84 -15.965 -37.527 7.908 1.00 0.00 N ATOM 1277 CA ALA A 84 -17.065 -36.568 7.915 1.00 0.00 C ATOM 1278 C ALA A 84 -17.459 -36.172 9.352 1.00 0.00 C ATOM 1279 O ALA A 84 -17.522 -37.024 10.243 1.00 0.00 O ATOM 1280 CB ALA A 84 -18.250 -37.184 7.162 1.00 0.00 C ATOM 0 H ALA A 84 -16.222 -38.450 7.557 1.00 0.00 H new ATOM 0 HA ALA A 84 -16.751 -35.651 7.416 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -19.083 -36.481 7.157 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -17.954 -37.404 6.136 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -18.556 -38.106 7.657 1.00 0.00 H new ATOM 1286 N ARG A 85 -17.756 -34.884 9.558 1.00 0.00 N ATOM 1287 CA ARG A 85 -18.358 -34.304 10.772 1.00 0.00 C ATOM 1288 C ARG A 85 -18.937 -32.922 10.420 1.00 0.00 C ATOM 1289 O ARG A 85 -18.684 -32.423 9.326 1.00 0.00 O ATOM 1290 CB ARG A 85 -17.291 -34.230 11.890 1.00 0.00 C ATOM 1291 CG ARG A 85 -17.877 -34.353 13.307 1.00 0.00 C ATOM 1292 CD ARG A 85 -16.747 -34.518 14.333 1.00 0.00 C ATOM 1293 NE ARG A 85 -17.238 -34.418 15.726 1.00 0.00 N ATOM 1294 CZ ARG A 85 -16.852 -33.519 16.620 1.00 0.00 C ATOM 1295 NH1 ARG A 85 -15.903 -32.669 16.393 1.00 0.00 N ATOM 1296 NH2 ARG A 85 -17.444 -33.422 17.775 1.00 0.00 N ATOM 0 H ARG A 85 -17.574 -34.177 8.846 1.00 0.00 H new ATOM 0 HA ARG A 85 -19.172 -34.927 11.144 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -16.561 -35.025 11.737 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -16.755 -33.284 11.808 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -18.467 -33.467 13.543 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -18.552 -35.208 13.357 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -16.265 -35.485 14.188 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -15.988 -33.755 14.161 1.00 0.00 H new ATOM 0 HE ARG A 85 -17.935 -35.101 16.024 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -15.418 -32.673 15.495 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -15.640 -31.995 17.112 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -18.219 -34.044 18.005 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -17.133 -32.724 18.450 1.00 0.00 H new ATOM 1310 N VAL A 86 -19.702 -32.315 11.331 1.00 0.00 N ATOM 1311 CA VAL A 86 -20.320 -30.971 11.179 1.00 0.00 C ATOM 1312 C VAL A 86 -20.206 -30.113 12.454 1.00 0.00 C ATOM 1313 O VAL A 86 -20.883 -29.098 12.591 1.00 0.00 O ATOM 1314 CB VAL A 86 -21.797 -31.063 10.721 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -21.935 -31.744 9.354 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -22.697 -31.802 11.725 1.00 0.00 C ATOM 0 H VAL A 86 -19.923 -32.749 12.227 1.00 0.00 H new ATOM 0 HA VAL A 86 -19.748 -30.470 10.398 1.00 0.00 H new ATOM 0 HB VAL A 86 -22.130 -30.027 10.653 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -22.987 -31.786 9.073 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -21.383 -31.175 8.606 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -21.533 -32.756 9.409 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -23.718 -31.832 11.345 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -22.331 -32.820 11.862 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -22.681 -31.279 12.681 1.00 0.00 H new ATOM 1326 N LEU A 87 -19.379 -30.566 13.402 1.00 0.00 N ATOM 1327 CA LEU A 87 -19.088 -30.013 14.731 1.00 0.00 C ATOM 1328 C LEU A 87 -17.747 -30.609 15.205 1.00 0.00 C ATOM 1329 O LEU A 87 -17.376 -30.447 16.387 1.00 0.00 O ATOM 1330 CB LEU A 87 -20.292 -30.331 15.659 1.00 0.00 C ATOM 1331 CG LEU A 87 -20.270 -29.587 17.012 1.00 0.00 C ATOM 1332 CD1 LEU A 87 -21.533 -28.743 17.191 1.00 0.00 C ATOM 1333 CD2 LEU A 87 -20.206 -30.577 18.177 1.00 0.00 C ATOM 1334 OXT LEU A 87 -17.117 -31.339 14.397 1.00 0.00 O ATOM 0 H LEU A 87 -18.841 -31.417 13.241 1.00 0.00 H new ATOM 0 HA LEU A 87 -18.972 -28.929 14.731 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -21.215 -30.080 15.135 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -20.315 -31.404 15.849 1.00 0.00 H new ATOM 0 HG LEU A 87 -19.387 -28.948 17.010 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -21.494 -28.229 18.151 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -21.596 -28.008 16.388 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -22.410 -29.390 17.161 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -20.191 -30.029 19.119 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -21.079 -31.228 18.149 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -19.301 -31.179 18.093 1.00 0.00 H new TER 1346 LEU A 87