USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 924 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 42 LYS NZ :NH3+ -137:sc= 0.252 (180deg=0.0147) USER MOD Set 1.2: A 46 MET CE :methyl -141:sc= -0.711 (180deg=-3.72!) USER MOD Set 1.3: A 79 HIS : no HE2:sc= 0.228 K(o=-0.23,f=-1.8) USER MOD Set 2.1: A 20 GLN :FLIP amide:sc= -3.96! C(o=-10!,f=-7!) USER MOD Set 2.2: A 52 ASN : amide:sc= -3.08! C(o=-7!,f=-7.2!) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0981 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -130:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 145:sc= -1.87! (180deg=-4.81!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc=-0.00665 K(o=-0.0067,f=-0.72) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.163 F(o=-0.77,f=-0.16) USER MOD Single : A 23 MET CE :methyl -109:sc= -4.22! (180deg=-8.63!) USER MOD Single : A 33 GLN : amide:sc= -3.01! C(o=-3!,f=-11!) USER MOD Single : A 35 MET CE :methyl -168:sc= -4.25 (180deg=-5!) USER MOD Single : A 36 HIS : no HD1:sc= -2.8! C(o=-2.8!,f=-4.3!) USER MOD Single : A 38 THR OG1 : rot 129:sc= -0.708 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.819 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl -139:sc= -5.3! (180deg=-8.48!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -102:sc= -5.83! (180deg=-8.12!) USER MOD Single : A 77 GLN :FLIP amide:sc= -0.277 F(o=-1.4,f=-0.28) USER MOD Single : A 80 GLN : amide:sc= -0.0305 X(o=-0.03,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.102) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0346 F(o=-0.74,f=-0.035) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : B 1 VAL N :NH3+ -161:sc= -0.163 (180deg=-0.707) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 SER OG : rot 180:sc= -1.11 USER MOD Single : B 5 ASN : amide:sc= -0.03 X(o=-0.03,f=0) USER MOD Single : B 7 ASN :FLIP amide:sc= -0.66 F(o=-4.4!,f=-0.66) USER MOD Single : B 9 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : B 11 LYS NZ :NH3+ -160:sc= 0.0848 (180deg=-0.017) USER MOD Single : B 18 LYS NZ :NH3+ 124:sc= -0.204 (180deg=-0.901) USER MOD Single : B 19 TYR OH : rot 150:sc= -0.341 USER MOD Single : B 21 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.016 -17.880 -22.858 1.00 0.00 N ATOM 2 CA GLY A 1 -4.789 -17.741 -22.026 1.00 0.00 C ATOM 3 C GLY A 1 -5.104 -17.375 -20.587 1.00 0.00 C ATOM 4 O GLY A 1 -6.253 -17.084 -20.257 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.051 -18.835 -23.269 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.857 -17.728 -22.265 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.999 -17.175 -23.622 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.232 -18.678 -22.046 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.144 -16.977 -22.460 1.00 0.00 H new ATOM 10 N PRO A 2 -4.093 -17.379 -19.698 1.00 0.00 N ATOM 11 CA PRO A 2 -4.283 -17.039 -18.285 1.00 0.00 C ATOM 12 C PRO A 2 -4.559 -15.553 -18.082 1.00 0.00 C ATOM 13 O PRO A 2 -3.692 -14.712 -18.319 1.00 0.00 O ATOM 14 CB PRO A 2 -2.951 -17.430 -17.642 1.00 0.00 C ATOM 15 CG PRO A 2 -1.956 -17.325 -18.746 1.00 0.00 C ATOM 16 CD PRO A 2 -2.687 -17.711 -20.002 1.00 0.00 C ATOM 0 HA PRO A 2 -5.144 -17.550 -17.854 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -2.699 -16.765 -16.816 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -2.988 -18.441 -17.237 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -1.561 -16.312 -18.820 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -1.107 -17.986 -18.570 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -2.321 -17.156 -20.866 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -2.565 -18.770 -20.228 1.00 0.00 H new ATOM 24 N LEU A 3 -5.775 -15.235 -17.646 1.00 0.00 N ATOM 25 CA LEU A 3 -6.168 -13.850 -17.414 1.00 0.00 C ATOM 26 C LEU A 3 -5.894 -13.441 -15.970 1.00 0.00 C ATOM 27 O LEU A 3 -5.679 -14.290 -15.105 1.00 0.00 O ATOM 28 CB LEU A 3 -7.651 -13.659 -17.739 1.00 0.00 C ATOM 29 CG LEU A 3 -8.094 -14.218 -19.093 1.00 0.00 C ATOM 30 CD1 LEU A 3 -9.039 -15.394 -18.902 1.00 0.00 C ATOM 31 CD2 LEU A 3 -8.751 -13.131 -19.930 1.00 0.00 C ATOM 0 H LEU A 3 -6.505 -15.919 -17.446 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.574 -13.214 -18.071 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.243 -14.133 -16.956 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.879 -12.594 -17.710 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.211 -14.572 -19.625 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.343 -15.778 -19.876 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.532 -16.181 -18.344 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.920 -15.067 -18.350 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.059 -13.547 -20.889 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.624 -12.745 -19.404 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.041 -12.321 -20.097 1.00 0.00 H new ATOM 43 N GLY A 4 -5.899 -12.135 -15.719 1.00 0.00 N ATOM 44 CA GLY A 4 -5.647 -11.635 -14.380 1.00 0.00 C ATOM 45 C GLY A 4 -6.914 -11.183 -13.680 1.00 0.00 C ATOM 46 O GLY A 4 -7.529 -10.193 -14.074 1.00 0.00 O ATOM 0 H GLY A 4 -6.073 -11.414 -16.419 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.168 -12.415 -13.789 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.948 -10.801 -14.433 1.00 0.00 H new ATOM 50 N SER A 5 -7.303 -11.912 -12.637 1.00 0.00 N ATOM 51 CA SER A 5 -8.504 -11.582 -11.878 1.00 0.00 C ATOM 52 C SER A 5 -8.255 -10.394 -10.950 1.00 0.00 C ATOM 53 O SER A 5 -7.209 -10.312 -10.306 1.00 0.00 O ATOM 54 CB SER A 5 -8.964 -12.791 -11.060 1.00 0.00 C ATOM 55 OG SER A 5 -8.107 -13.016 -9.956 1.00 0.00 O ATOM 0 H SER A 5 -6.804 -12.735 -12.299 1.00 0.00 H new ATOM 0 HA SER A 5 -9.286 -11.310 -12.587 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.982 -12.629 -10.707 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.984 -13.677 -11.695 1.00 0.00 H new ATOM 0 HG SER A 5 -8.424 -13.793 -9.449 1.00 0.00 H new ATOM 61 N PRO A 6 -9.214 -9.454 -10.868 1.00 0.00 N ATOM 62 CA PRO A 6 -9.087 -8.272 -10.010 1.00 0.00 C ATOM 63 C PRO A 6 -9.098 -8.632 -8.529 1.00 0.00 C ATOM 64 O PRO A 6 -9.971 -9.367 -8.065 1.00 0.00 O ATOM 65 CB PRO A 6 -10.316 -7.432 -10.368 1.00 0.00 C ATOM 66 CG PRO A 6 -11.303 -8.410 -10.905 1.00 0.00 C ATOM 67 CD PRO A 6 -10.496 -9.470 -11.599 1.00 0.00 C ATOM 0 HA PRO A 6 -8.143 -7.752 -10.171 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.709 -6.913 -9.493 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.072 -6.670 -11.108 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.904 -8.839 -10.103 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.993 -7.928 -11.598 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.979 -10.445 -11.542 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.359 -9.243 -12.656 1.00 0.00 H new ATOM 75 N LEU A 7 -8.119 -8.117 -7.793 1.00 0.00 N ATOM 76 CA LEU A 7 -8.011 -8.389 -6.364 1.00 0.00 C ATOM 77 C LEU A 7 -8.832 -7.392 -5.553 1.00 0.00 C ATOM 78 O LEU A 7 -9.916 -7.714 -5.071 1.00 0.00 O ATOM 79 CB LEU A 7 -6.545 -8.338 -5.925 1.00 0.00 C ATOM 80 CG LEU A 7 -6.141 -9.393 -4.893 1.00 0.00 C ATOM 81 CD1 LEU A 7 -4.628 -9.558 -4.865 1.00 0.00 C ATOM 82 CD2 LEU A 7 -6.665 -9.018 -3.514 1.00 0.00 C ATOM 0 H LEU A 7 -7.388 -7.509 -8.162 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.406 -9.388 -6.180 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.914 -8.453 -6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.339 -7.350 -5.512 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.585 -10.346 -5.181 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.358 -10.312 -4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.278 -9.872 -5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.163 -8.608 -4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.368 -9.779 -2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.250 -8.055 -3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.753 -8.951 -3.544 1.00 0.00 H new ATOM 94 N THR A 8 -8.325 -6.168 -5.443 1.00 0.00 N ATOM 95 CA THR A 8 -9.000 -5.124 -4.686 1.00 0.00 C ATOM 96 C THR A 8 -9.988 -4.377 -5.570 1.00 0.00 C ATOM 97 O THR A 8 -11.000 -3.870 -5.087 1.00 0.00 O ATOM 98 CB THR A 8 -7.981 -4.146 -4.099 1.00 0.00 C ATOM 99 OG1 THR A 8 -8.635 -3.070 -3.450 1.00 0.00 O ATOM 100 CG2 THR A 8 -7.046 -3.560 -5.132 1.00 0.00 C ATOM 0 H THR A 8 -7.446 -5.876 -5.871 1.00 0.00 H new ATOM 0 HA THR A 8 -9.547 -5.594 -3.869 1.00 0.00 H new ATOM 0 HB THR A 8 -7.392 -4.733 -3.395 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.259 -2.221 -3.765 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.350 -2.876 -4.646 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.488 -4.362 -5.615 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.624 -3.019 -5.881 1.00 0.00 H new ATOM 108 N ALA A 9 -9.699 -4.320 -6.867 1.00 0.00 N ATOM 109 CA ALA A 9 -10.604 -3.684 -7.814 1.00 0.00 C ATOM 110 C ALA A 9 -11.954 -4.385 -7.776 1.00 0.00 C ATOM 111 O ALA A 9 -13.005 -3.747 -7.828 1.00 0.00 O ATOM 112 CB ALA A 9 -10.025 -3.711 -9.218 1.00 0.00 C ATOM 0 H ALA A 9 -8.850 -4.704 -7.282 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.736 -2.640 -7.530 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.719 -3.230 -9.907 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.074 -3.178 -9.230 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.865 -4.744 -9.526 1.00 0.00 H new ATOM 118 N SER A 10 -11.909 -5.710 -7.650 1.00 0.00 N ATOM 119 CA SER A 10 -13.121 -6.504 -7.540 1.00 0.00 C ATOM 120 C SER A 10 -13.778 -6.250 -6.193 1.00 0.00 C ATOM 121 O SER A 10 -15.004 -6.204 -6.088 1.00 0.00 O ATOM 122 CB SER A 10 -12.806 -7.993 -7.704 1.00 0.00 C ATOM 123 OG SER A 10 -13.876 -8.674 -8.335 1.00 0.00 O ATOM 0 H SER A 10 -11.045 -6.252 -7.622 1.00 0.00 H new ATOM 0 HA SER A 10 -13.807 -6.211 -8.334 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.897 -8.113 -8.293 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.614 -8.437 -6.727 1.00 0.00 H new ATOM 0 HG SER A 10 -13.649 -9.623 -8.430 1.00 0.00 H new ATOM 129 N MET A 11 -12.953 -6.036 -5.168 1.00 0.00 N ATOM 130 CA MET A 11 -13.469 -5.729 -3.840 1.00 0.00 C ATOM 131 C MET A 11 -14.204 -4.399 -3.869 1.00 0.00 C ATOM 132 O MET A 11 -15.202 -4.219 -3.181 1.00 0.00 O ATOM 133 CB MET A 11 -12.341 -5.664 -2.810 1.00 0.00 C ATOM 134 CG MET A 11 -11.461 -6.903 -2.785 1.00 0.00 C ATOM 135 SD MET A 11 -11.050 -7.432 -1.111 1.00 0.00 S ATOM 136 CE MET A 11 -9.566 -6.477 -0.805 1.00 0.00 C ATOM 0 H MET A 11 -11.936 -6.070 -5.233 1.00 0.00 H new ATOM 0 HA MET A 11 -14.154 -6.526 -3.551 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.720 -4.793 -3.019 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.773 -5.517 -1.820 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.970 -7.715 -3.304 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.541 -6.701 -3.334 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.532 -6.183 0.244 1.00 0.00 H new ATOM 0 HE2 MET A 11 -8.690 -7.081 -1.041 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.572 -5.585 -1.431 1.00 0.00 H new ATOM 146 N LEU A 12 -13.705 -3.476 -4.688 1.00 0.00 N ATOM 147 CA LEU A 12 -14.323 -2.167 -4.840 1.00 0.00 C ATOM 148 C LEU A 12 -15.801 -2.321 -5.166 1.00 0.00 C ATOM 149 O LEU A 12 -16.662 -1.746 -4.500 1.00 0.00 O ATOM 150 CB LEU A 12 -13.625 -1.386 -5.955 1.00 0.00 C ATOM 151 CG LEU A 12 -12.742 -0.220 -5.499 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.735 -0.673 -4.449 1.00 0.00 C ATOM 153 CD2 LEU A 12 -12.027 0.390 -6.693 1.00 0.00 C ATOM 0 H LEU A 12 -12.870 -3.614 -5.258 1.00 0.00 H new ATOM 0 HA LEU A 12 -14.222 -1.619 -3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -13.011 -2.080 -6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -14.386 -0.998 -6.632 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.381 0.537 -5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.122 0.175 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.266 -1.068 -3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.096 -1.450 -4.869 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.402 1.218 -6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.403 -0.367 -7.169 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.762 0.757 -7.409 1.00 0.00 H new ATOM 165 N ALA A 13 -16.082 -3.120 -6.188 1.00 0.00 N ATOM 166 CA ALA A 13 -17.452 -3.391 -6.596 1.00 0.00 C ATOM 167 C ALA A 13 -18.196 -4.166 -5.513 1.00 0.00 C ATOM 168 O ALA A 13 -19.421 -4.098 -5.416 1.00 0.00 O ATOM 169 CB ALA A 13 -17.462 -4.165 -7.906 1.00 0.00 C ATOM 0 H ALA A 13 -15.375 -3.593 -6.751 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.964 -2.440 -6.744 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.492 -4.363 -8.204 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.967 -3.577 -8.680 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.934 -5.109 -7.775 1.00 0.00 H new ATOM 175 N SER A 14 -17.444 -4.912 -4.706 1.00 0.00 N ATOM 176 CA SER A 14 -18.029 -5.720 -3.642 1.00 0.00 C ATOM 177 C SER A 14 -17.871 -5.055 -2.276 1.00 0.00 C ATOM 178 O SER A 14 -18.074 -5.693 -1.243 1.00 0.00 O ATOM 179 CB SER A 14 -17.382 -7.107 -3.620 1.00 0.00 C ATOM 180 OG SER A 14 -18.228 -8.073 -4.219 1.00 0.00 O ATOM 0 H SER A 14 -16.428 -4.973 -4.770 1.00 0.00 H new ATOM 0 HA SER A 14 -19.095 -5.816 -3.848 1.00 0.00 H new ATOM 0 HB2 SER A 14 -16.429 -7.076 -4.148 1.00 0.00 H new ATOM 0 HB3 SER A 14 -17.167 -7.395 -2.591 1.00 0.00 H new ATOM 0 HG SER A 14 -17.792 -8.950 -4.194 1.00 0.00 H new ATOM 186 N ALA A 15 -17.551 -3.763 -2.273 1.00 0.00 N ATOM 187 CA ALA A 15 -17.369 -3.028 -1.025 1.00 0.00 C ATOM 188 C ALA A 15 -18.089 -1.676 -1.061 1.00 0.00 C ATOM 189 O ALA A 15 -17.475 -0.634 -0.826 1.00 0.00 O ATOM 190 CB ALA A 15 -15.888 -2.831 -0.752 1.00 0.00 C ATOM 0 H ALA A 15 -17.413 -3.206 -3.116 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.808 -3.615 -0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.760 -2.282 0.181 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.401 -3.803 -0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.439 -2.267 -1.570 1.00 0.00 H new ATOM 196 N PRO A 16 -19.412 -1.672 -1.331 1.00 0.00 N ATOM 197 CA PRO A 16 -20.203 -0.433 -1.418 1.00 0.00 C ATOM 198 C PRO A 16 -20.168 0.421 -0.140 1.00 0.00 C ATOM 199 O PRO A 16 -19.955 1.632 -0.220 1.00 0.00 O ATOM 200 CB PRO A 16 -21.626 -0.927 -1.698 1.00 0.00 C ATOM 201 CG PRO A 16 -21.454 -2.280 -2.293 1.00 0.00 C ATOM 202 CD PRO A 16 -20.229 -2.862 -1.646 1.00 0.00 C ATOM 0 HA PRO A 16 -19.802 0.228 -2.187 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -22.216 -0.971 -0.782 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -22.148 -0.258 -2.382 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -22.328 -2.903 -2.105 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -21.333 -2.219 -3.374 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -20.479 -3.427 -0.748 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.705 -3.543 -2.317 1.00 0.00 H new ATOM 210 N PRO A 17 -20.413 -0.165 1.056 1.00 0.00 N ATOM 211 CA PRO A 17 -20.426 0.600 2.312 1.00 0.00 C ATOM 212 C PRO A 17 -19.041 1.108 2.700 1.00 0.00 C ATOM 213 O PRO A 17 -18.164 1.252 1.849 1.00 0.00 O ATOM 214 CB PRO A 17 -20.937 -0.406 3.344 1.00 0.00 C ATOM 215 CG PRO A 17 -20.579 -1.736 2.783 1.00 0.00 C ATOM 216 CD PRO A 17 -20.695 -1.597 1.291 1.00 0.00 C ATOM 0 HA PRO A 17 -21.043 1.495 2.232 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -20.471 -0.248 4.316 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -22.013 -0.314 3.488 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -19.568 -2.022 3.071 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.248 -2.511 3.157 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -19.982 -2.237 0.771 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -21.688 -1.874 0.938 1.00 0.00 H new ATOM 224 N GLN A 18 -18.865 1.407 3.986 1.00 0.00 N ATOM 225 CA GLN A 18 -17.588 1.898 4.496 1.00 0.00 C ATOM 226 C GLN A 18 -16.560 0.772 4.569 1.00 0.00 C ATOM 227 O GLN A 18 -16.103 0.402 5.652 1.00 0.00 O ATOM 228 CB GLN A 18 -17.777 2.525 5.880 1.00 0.00 C ATOM 229 CG GLN A 18 -18.071 4.017 5.836 1.00 0.00 C ATOM 230 CD GLN A 18 -16.821 4.861 5.980 1.00 0.00 C ATOM 231 OE1 GLN A 18 -15.728 4.444 5.595 1.00 0.00 O ATOM 232 NE2 GLN A 18 -16.975 6.058 6.533 1.00 0.00 N ATOM 0 H GLN A 18 -19.593 1.317 4.695 1.00 0.00 H new ATOM 0 HA GLN A 18 -17.217 2.657 3.808 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -18.594 2.017 6.392 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -16.877 2.357 6.472 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -18.562 4.259 4.894 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -18.770 4.270 6.634 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -17.899 6.364 6.838 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.169 6.672 6.653 1.00 0.00 H new ATOM 241 N GLU A 19 -16.219 0.220 3.412 1.00 0.00 N ATOM 242 CA GLU A 19 -15.255 -0.869 3.332 1.00 0.00 C ATOM 243 C GLU A 19 -13.912 -0.367 2.811 1.00 0.00 C ATOM 244 O GLU A 19 -13.059 -1.155 2.405 1.00 0.00 O ATOM 245 CB GLU A 19 -15.793 -1.970 2.417 1.00 0.00 C ATOM 246 CG GLU A 19 -15.322 -3.366 2.787 1.00 0.00 C ATOM 247 CD GLU A 19 -16.336 -4.125 3.620 1.00 0.00 C ATOM 248 OE1 GLU A 19 -17.543 -3.819 3.513 1.00 0.00 O ATOM 249 OE2 GLU A 19 -15.924 -5.026 4.380 1.00 0.00 O ATOM 0 H GLU A 19 -16.598 0.511 2.511 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.104 -1.273 4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.883 -1.947 2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.491 -1.756 1.392 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.113 -3.927 1.876 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.385 -3.294 3.339 1.00 0.00 H new ATOM 256 N GLN A 20 -13.741 0.953 2.812 1.00 0.00 N ATOM 257 CA GLN A 20 -12.509 1.570 2.330 1.00 0.00 C ATOM 258 C GLN A 20 -11.285 0.982 3.024 1.00 0.00 C ATOM 259 O GLN A 20 -10.438 0.357 2.386 1.00 0.00 O ATOM 260 CB GLN A 20 -12.550 3.085 2.551 1.00 0.00 C ATOM 261 CG GLN A 20 -13.234 3.497 3.845 1.00 0.00 C ATOM 262 CD GLN A 20 -12.443 4.536 4.616 1.00 0.00 C ATOM 263 OE1 GLN A 20 -11.336 4.112 5.215 1.00 0.00 O flip ATOM 264 NE2 GLN A 20 -12.822 5.706 4.672 1.00 0.00 N flip ATOM 0 H GLN A 20 -14.442 1.616 3.142 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.431 1.362 1.263 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.531 3.471 2.551 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.067 3.551 1.713 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.224 3.893 3.618 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.379 2.617 4.472 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.679 5.988 4.196 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.279 6.394 5.194 1.00 0.00 H new ATOM 273 N LYS A 21 -11.211 1.165 4.337 1.00 0.00 N ATOM 274 CA LYS A 21 -10.068 0.686 5.109 1.00 0.00 C ATOM 275 C LYS A 21 -9.848 -0.809 4.906 1.00 0.00 C ATOM 276 O LYS A 21 -8.765 -1.323 5.171 1.00 0.00 O ATOM 277 CB LYS A 21 -10.258 0.985 6.601 1.00 0.00 C ATOM 278 CG LYS A 21 -11.683 1.351 6.990 1.00 0.00 C ATOM 279 CD LYS A 21 -12.602 0.140 6.962 1.00 0.00 C ATOM 280 CE LYS A 21 -12.462 -0.696 8.222 1.00 0.00 C ATOM 281 NZ LYS A 21 -13.491 -0.348 9.239 1.00 0.00 N ATOM 0 H LYS A 21 -11.925 1.640 4.889 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.186 1.215 4.749 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.949 0.112 7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.595 1.803 6.883 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.687 1.788 7.989 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.063 2.112 6.308 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.636 0.469 6.856 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.371 -0.473 6.090 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.547 -1.752 7.967 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.469 -0.549 8.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.360 -0.942 10.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.395 0.654 9.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.439 -0.513 8.844 1.00 0.00 H new ATOM 295 N GLN A 22 -10.885 -1.508 4.463 1.00 0.00 N ATOM 296 CA GLN A 22 -10.780 -2.939 4.205 1.00 0.00 C ATOM 297 C GLN A 22 -9.987 -3.218 2.929 1.00 0.00 C ATOM 298 O GLN A 22 -8.818 -3.600 2.979 1.00 0.00 O ATOM 299 CB GLN A 22 -12.169 -3.570 4.102 1.00 0.00 C ATOM 300 CG GLN A 22 -12.143 -5.027 3.665 1.00 0.00 C ATOM 301 CD GLN A 22 -12.191 -5.987 4.837 1.00 0.00 C ATOM 302 OE1 GLN A 22 -13.061 -5.703 5.799 1.00 0.00 O flip ATOM 303 NE2 GLN A 22 -11.453 -6.972 4.879 1.00 0.00 N flip ATOM 0 H GLN A 22 -11.805 -1.110 4.275 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.246 -3.386 5.044 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.665 -3.498 5.070 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.768 -2.997 3.394 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -12.990 -5.220 3.007 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.239 -5.213 3.085 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.799 -7.152 4.117 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.496 -7.608 5.675 1.00 0.00 H new ATOM 312 N MET A 23 -10.649 -3.052 1.786 1.00 0.00 N ATOM 313 CA MET A 23 -10.047 -3.349 0.488 1.00 0.00 C ATOM 314 C MET A 23 -8.934 -2.368 0.110 1.00 0.00 C ATOM 315 O MET A 23 -7.772 -2.553 0.471 1.00 0.00 O ATOM 316 CB MET A 23 -11.117 -3.364 -0.618 1.00 0.00 C ATOM 317 CG MET A 23 -12.360 -2.534 -0.311 1.00 0.00 C ATOM 318 SD MET A 23 -12.405 -0.989 -1.240 1.00 0.00 S ATOM 319 CE MET A 23 -13.825 -0.181 -0.509 1.00 0.00 C ATOM 0 H MET A 23 -11.609 -2.711 1.733 1.00 0.00 H new ATOM 0 HA MET A 23 -9.597 -4.337 0.580 1.00 0.00 H new ATOM 0 HB2 MET A 23 -10.670 -2.997 -1.542 1.00 0.00 H new ATOM 0 HB3 MET A 23 -11.420 -4.395 -0.798 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.250 -3.119 -0.542 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.392 -2.314 0.756 1.00 0.00 H new ATOM 0 HE1 MET A 23 -14.646 -0.170 -1.226 1.00 0.00 H new ATOM 0 HE2 MET A 23 -14.132 -0.723 0.386 1.00 0.00 H new ATOM 0 HE3 MET A 23 -13.563 0.843 -0.241 1.00 0.00 H new ATOM 329 N LEU A 24 -9.302 -1.363 -0.678 1.00 0.00 N ATOM 330 CA LEU A 24 -8.361 -0.392 -1.226 1.00 0.00 C ATOM 331 C LEU A 24 -7.625 0.415 -0.162 1.00 0.00 C ATOM 332 O LEU A 24 -6.849 1.312 -0.495 1.00 0.00 O ATOM 333 CB LEU A 24 -9.127 0.560 -2.159 1.00 0.00 C ATOM 334 CG LEU A 24 -9.661 1.860 -1.539 1.00 0.00 C ATOM 335 CD1 LEU A 24 -10.573 2.574 -2.523 1.00 0.00 C ATOM 336 CD2 LEU A 24 -10.395 1.594 -0.239 1.00 0.00 C ATOM 0 H LEU A 24 -10.269 -1.198 -0.957 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.597 -0.951 -1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.470 0.824 -2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.970 0.014 -2.582 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.807 2.500 -1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.945 3.494 -2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.015 2.813 -3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.414 1.927 -2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.759 2.535 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.238 0.929 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.716 1.126 0.473 1.00 0.00 H new ATOM 348 N GLY A 25 -7.886 0.136 1.107 1.00 0.00 N ATOM 349 CA GLY A 25 -7.306 0.958 2.143 1.00 0.00 C ATOM 350 C GLY A 25 -7.878 2.345 2.023 1.00 0.00 C ATOM 351 O GLY A 25 -9.089 2.532 2.114 1.00 0.00 O ATOM 0 H GLY A 25 -8.477 -0.629 1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.525 0.541 3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.221 0.985 2.043 1.00 0.00 H new ATOM 355 N GLU A 26 -7.030 3.312 1.750 1.00 0.00 N ATOM 356 CA GLU A 26 -7.516 4.628 1.391 1.00 0.00 C ATOM 357 C GLU A 26 -8.017 4.564 -0.051 1.00 0.00 C ATOM 358 O GLU A 26 -9.213 4.664 -0.327 1.00 0.00 O ATOM 359 CB GLU A 26 -6.415 5.678 1.541 1.00 0.00 C ATOM 360 CG GLU A 26 -6.567 6.539 2.784 1.00 0.00 C ATOM 361 CD GLU A 26 -6.516 5.730 4.065 1.00 0.00 C ATOM 362 OE1 GLU A 26 -5.402 5.510 4.584 1.00 0.00 O ATOM 363 OE2 GLU A 26 -7.591 5.317 4.549 1.00 0.00 O ATOM 0 H GLU A 26 -6.015 3.216 1.769 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.327 4.922 2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.447 5.177 1.571 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.414 6.321 0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.776 7.289 2.801 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.514 7.076 2.736 1.00 0.00 H new ATOM 370 N ARG A 27 -7.064 4.355 -0.951 1.00 0.00 N ATOM 371 CA ARG A 27 -7.311 4.185 -2.379 1.00 0.00 C ATOM 372 C ARG A 27 -6.090 3.495 -2.988 1.00 0.00 C ATOM 373 O ARG A 27 -5.970 3.327 -4.201 1.00 0.00 O ATOM 374 CB ARG A 27 -7.543 5.554 -3.031 1.00 0.00 C ATOM 375 CG ARG A 27 -7.676 5.517 -4.546 1.00 0.00 C ATOM 376 CD ARG A 27 -8.657 4.451 -5.003 1.00 0.00 C ATOM 377 NE ARG A 27 -9.062 4.652 -6.390 1.00 0.00 N ATOM 378 CZ ARG A 27 -9.597 3.703 -7.149 1.00 0.00 C ATOM 379 NH1 ARG A 27 -9.796 2.490 -6.656 1.00 0.00 N ATOM 380 NH2 ARG A 27 -9.939 3.968 -8.403 1.00 0.00 N ATOM 0 H ARG A 27 -6.076 4.298 -0.704 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.200 3.578 -2.548 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.447 5.994 -2.610 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.715 6.213 -2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.006 6.492 -4.905 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.700 5.327 -4.992 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.201 3.467 -4.896 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.537 4.467 -4.361 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.926 5.576 -6.801 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.538 2.283 -5.691 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.207 1.763 -7.241 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.791 4.902 -8.785 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.350 3.238 -8.985 1.00 0.00 H new ATOM 394 N LEU A 28 -5.179 3.118 -2.099 1.00 0.00 N ATOM 395 CA LEU A 28 -3.875 2.588 -2.472 1.00 0.00 C ATOM 396 C LEU A 28 -3.929 1.325 -3.326 1.00 0.00 C ATOM 397 O LEU A 28 -3.599 1.365 -4.509 1.00 0.00 O ATOM 398 CB LEU A 28 -3.070 2.329 -1.203 1.00 0.00 C ATOM 399 CG LEU A 28 -2.213 3.513 -0.748 1.00 0.00 C ATOM 400 CD1 LEU A 28 -2.571 3.927 0.671 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.735 3.178 -0.853 1.00 0.00 C ATOM 0 H LEU A 28 -5.327 3.172 -1.091 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.397 3.340 -3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.756 2.062 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.422 1.468 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.420 4.355 -1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.949 4.770 0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.621 4.218 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.400 3.090 1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.144 4.033 -0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.511 2.318 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.488 2.942 -1.888 1.00 0.00 H new ATOM 413 N PHE A 29 -4.255 0.199 -2.700 1.00 0.00 N ATOM 414 CA PHE A 29 -4.245 -1.103 -3.373 1.00 0.00 C ATOM 415 C PHE A 29 -4.632 -1.021 -4.863 1.00 0.00 C ATOM 416 O PHE A 29 -3.913 -1.552 -5.704 1.00 0.00 O ATOM 417 CB PHE A 29 -5.147 -2.094 -2.632 1.00 0.00 C ATOM 418 CG PHE A 29 -4.507 -3.441 -2.415 1.00 0.00 C ATOM 419 CD1 PHE A 29 -4.041 -4.188 -3.489 1.00 0.00 C ATOM 420 CD2 PHE A 29 -4.370 -3.959 -1.138 1.00 0.00 C ATOM 421 CE1 PHE A 29 -3.454 -5.423 -3.289 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.782 -5.193 -0.934 1.00 0.00 C ATOM 423 CZ PHE A 29 -3.331 -5.929 -2.011 1.00 0.00 C ATOM 0 H PHE A 29 -4.532 0.158 -1.719 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.216 -1.461 -3.345 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.422 -1.671 -1.666 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.070 -2.226 -3.197 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.138 -3.799 -4.492 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.727 -3.392 -0.291 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.092 -5.992 -4.132 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.675 -5.581 0.068 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.883 -6.899 -1.854 1.00 0.00 H new ATOM 433 N PRO A 30 -5.743 -0.341 -5.226 1.00 0.00 N ATOM 434 CA PRO A 30 -6.189 -0.241 -6.630 1.00 0.00 C ATOM 435 C PRO A 30 -5.185 0.459 -7.544 1.00 0.00 C ATOM 436 O PRO A 30 -4.969 0.027 -8.678 1.00 0.00 O ATOM 437 CB PRO A 30 -7.476 0.580 -6.547 1.00 0.00 C ATOM 438 CG PRO A 30 -7.939 0.414 -5.147 1.00 0.00 C ATOM 439 CD PRO A 30 -6.693 0.313 -4.316 1.00 0.00 C ATOM 0 HA PRO A 30 -6.315 -1.233 -7.065 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.293 1.629 -6.782 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.222 0.220 -7.256 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.551 1.260 -4.834 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.554 -0.480 -5.041 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.339 1.294 -3.999 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.857 -0.274 -3.413 1.00 0.00 H new ATOM 447 N LEU A 31 -4.554 1.525 -7.055 1.00 0.00 N ATOM 448 CA LEU A 31 -3.589 2.256 -7.876 1.00 0.00 C ATOM 449 C LEU A 31 -2.345 1.410 -8.075 1.00 0.00 C ATOM 450 O LEU A 31 -1.875 1.221 -9.200 1.00 0.00 O ATOM 451 CB LEU A 31 -3.204 3.589 -7.227 1.00 0.00 C ATOM 452 CG LEU A 31 -4.193 4.117 -6.196 1.00 0.00 C ATOM 453 CD1 LEU A 31 -3.457 4.722 -5.011 1.00 0.00 C ATOM 454 CD2 LEU A 31 -5.122 5.137 -6.828 1.00 0.00 C ATOM 0 H LEU A 31 -4.689 1.896 -6.115 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.053 2.467 -8.839 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.231 3.475 -6.749 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.087 4.337 -8.012 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.794 3.283 -5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.180 5.094 -4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.832 3.961 -4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.831 5.546 -5.354 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.823 5.505 -6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.537 5.970 -7.217 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.675 4.670 -7.643 1.00 0.00 H new ATOM 466 N ILE A 32 -1.844 0.854 -6.984 1.00 0.00 N ATOM 467 CA ILE A 32 -0.692 -0.017 -7.061 1.00 0.00 C ATOM 468 C ILE A 32 -1.093 -1.353 -7.671 1.00 0.00 C ATOM 469 O ILE A 32 -0.242 -2.152 -8.044 1.00 0.00 O ATOM 470 CB ILE A 32 -0.042 -0.259 -5.688 1.00 0.00 C ATOM 471 CG1 ILE A 32 -0.453 0.835 -4.695 1.00 0.00 C ATOM 472 CG2 ILE A 32 1.470 -0.313 -5.838 1.00 0.00 C ATOM 473 CD1 ILE A 32 0.200 0.704 -3.335 1.00 0.00 C ATOM 0 H ILE A 32 -2.216 0.991 -6.044 1.00 0.00 H new ATOM 0 HA ILE A 32 0.044 0.483 -7.691 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.390 -1.214 -5.295 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.201 1.808 -5.116 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.536 0.812 -4.571 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.926 -0.485 -4.863 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.740 -1.125 -6.513 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.829 0.632 -6.246 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.140 1.513 -2.689 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.072 -0.254 -2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.283 0.758 -3.445 1.00 0.00 H new ATOM 485 N GLN A 33 -2.401 -1.591 -7.761 1.00 0.00 N ATOM 486 CA GLN A 33 -2.906 -2.814 -8.375 1.00 0.00 C ATOM 487 C GLN A 33 -2.484 -2.853 -9.833 1.00 0.00 C ATOM 488 O GLN A 33 -2.062 -3.888 -10.347 1.00 0.00 O ATOM 489 CB GLN A 33 -4.427 -2.898 -8.259 1.00 0.00 C ATOM 490 CG GLN A 33 -5.012 -4.171 -8.845 1.00 0.00 C ATOM 491 CD GLN A 33 -6.523 -4.122 -8.956 1.00 0.00 C ATOM 492 OE1 GLN A 33 -7.184 -3.375 -8.235 1.00 0.00 O ATOM 493 NE2 GLN A 33 -7.076 -4.920 -9.861 1.00 0.00 N ATOM 0 H GLN A 33 -3.124 -0.957 -7.419 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.485 -3.672 -7.850 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.707 -2.830 -7.208 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.869 -2.039 -8.763 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.584 -4.342 -9.833 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.725 -5.018 -8.223 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.488 -5.523 -10.437 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.089 -4.931 -9.981 1.00 0.00 H new ATOM 502 N ALA A 34 -2.567 -1.701 -10.485 1.00 0.00 N ATOM 503 CA ALA A 34 -2.098 -1.576 -11.856 1.00 0.00 C ATOM 504 C ALA A 34 -0.584 -1.743 -11.872 1.00 0.00 C ATOM 505 O ALA A 34 -0.007 -2.263 -12.827 1.00 0.00 O ATOM 506 CB ALA A 34 -2.503 -0.233 -12.444 1.00 0.00 C ATOM 0 H ALA A 34 -2.953 -0.844 -10.088 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.555 -2.351 -12.471 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.142 -0.161 -13.470 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.589 -0.144 -12.435 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.068 0.570 -11.849 1.00 0.00 H new ATOM 512 N MET A 35 0.037 -1.344 -10.764 1.00 0.00 N ATOM 513 CA MET A 35 1.482 -1.466 -10.589 1.00 0.00 C ATOM 514 C MET A 35 1.807 -2.666 -9.703 1.00 0.00 C ATOM 515 O MET A 35 2.835 -2.695 -9.026 1.00 0.00 O ATOM 516 CB MET A 35 2.033 -0.188 -9.956 1.00 0.00 C ATOM 517 CG MET A 35 1.348 1.064 -10.466 1.00 0.00 C ATOM 518 SD MET A 35 2.010 2.578 -9.749 1.00 0.00 S ATOM 519 CE MET A 35 0.494 3.476 -9.432 1.00 0.00 C ATOM 0 H MET A 35 -0.445 -0.929 -9.966 1.00 0.00 H new ATOM 0 HA MET A 35 1.946 -1.615 -11.564 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.916 -0.245 -8.874 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.102 -0.120 -10.158 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.449 1.109 -11.550 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.282 1.002 -10.247 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.729 4.512 -9.188 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.139 3.446 -10.319 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.033 3.017 -8.595 1.00 0.00 H new ATOM 529 N HIS A 36 0.905 -3.647 -9.703 1.00 0.00 N ATOM 530 CA HIS A 36 1.039 -4.828 -8.856 1.00 0.00 C ATOM 531 C HIS A 36 2.288 -5.667 -9.172 1.00 0.00 C ATOM 532 O HIS A 36 2.844 -6.275 -8.257 1.00 0.00 O ATOM 533 CB HIS A 36 -0.227 -5.689 -8.934 1.00 0.00 C ATOM 534 CG HIS A 36 -0.158 -6.809 -9.927 1.00 0.00 C ATOM 535 ND1 HIS A 36 -0.508 -6.623 -11.243 1.00 0.00 N ATOM 536 CD2 HIS A 36 0.213 -8.099 -9.745 1.00 0.00 C ATOM 537 CE1 HIS A 36 -0.337 -7.793 -11.833 1.00 0.00 C ATOM 538 NE2 HIS A 36 0.100 -8.716 -10.964 1.00 0.00 N ATOM 0 H HIS A 36 0.068 -3.645 -10.286 1.00 0.00 H new ATOM 0 HA HIS A 36 1.167 -4.465 -7.836 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.428 -6.107 -7.948 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -1.072 -5.048 -9.187 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.535 -8.553 -8.820 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.525 -7.981 -12.880 1.00 0.00 H new ATOM 0 HE2 HIS A 36 0.309 -9.693 -11.171 1.00 0.00 H new ATOM 546 N PRO A 37 2.752 -5.737 -10.451 1.00 0.00 N ATOM 547 CA PRO A 37 3.948 -6.507 -10.806 1.00 0.00 C ATOM 548 C PRO A 37 5.021 -6.439 -9.722 1.00 0.00 C ATOM 549 O PRO A 37 5.772 -7.393 -9.514 1.00 0.00 O ATOM 550 CB PRO A 37 4.420 -5.821 -12.082 1.00 0.00 C ATOM 551 CG PRO A 37 3.162 -5.374 -12.745 1.00 0.00 C ATOM 552 CD PRO A 37 2.176 -5.071 -11.641 1.00 0.00 C ATOM 0 HA PRO A 37 3.743 -7.571 -10.926 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.075 -4.978 -11.862 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.983 -6.505 -12.717 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.340 -4.491 -13.358 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.776 -6.149 -13.407 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.070 -3.997 -11.485 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.184 -5.459 -11.874 1.00 0.00 H new ATOM 560 N THR A 38 5.057 -5.316 -9.012 1.00 0.00 N ATOM 561 CA THR A 38 5.976 -5.141 -7.898 1.00 0.00 C ATOM 562 C THR A 38 5.442 -5.874 -6.669 1.00 0.00 C ATOM 563 O THR A 38 5.742 -7.050 -6.463 1.00 0.00 O ATOM 564 CB THR A 38 6.156 -3.652 -7.594 1.00 0.00 C ATOM 565 OG1 THR A 38 6.252 -2.905 -8.795 1.00 0.00 O ATOM 566 CG2 THR A 38 7.384 -3.349 -6.763 1.00 0.00 C ATOM 0 H THR A 38 4.456 -4.511 -9.191 1.00 0.00 H new ATOM 0 HA THR A 38 6.946 -5.560 -8.165 1.00 0.00 H new ATOM 0 HB THR A 38 5.275 -3.368 -7.019 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.619 -2.158 -8.767 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.448 -2.275 -6.586 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.315 -3.870 -5.808 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.275 -3.683 -7.295 1.00 0.00 H new ATOM 574 N LEU A 39 4.631 -5.181 -5.869 1.00 0.00 N ATOM 575 CA LEU A 39 4.021 -5.783 -4.687 1.00 0.00 C ATOM 576 C LEU A 39 2.980 -4.849 -4.066 1.00 0.00 C ATOM 577 O LEU A 39 3.098 -4.469 -2.900 1.00 0.00 O ATOM 578 CB LEU A 39 5.093 -6.137 -3.650 1.00 0.00 C ATOM 579 CG LEU A 39 4.911 -7.490 -2.953 1.00 0.00 C ATOM 580 CD1 LEU A 39 3.571 -7.549 -2.234 1.00 0.00 C ATOM 581 CD2 LEU A 39 5.032 -8.629 -3.955 1.00 0.00 C ATOM 0 H LEU A 39 4.383 -4.203 -6.019 1.00 0.00 H new ATOM 0 HA LEU A 39 3.517 -6.697 -5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.066 -6.128 -4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.112 -5.356 -2.890 1.00 0.00 H new ATOM 0 HG LEU A 39 5.701 -7.601 -2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.462 -8.518 -1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.525 -6.758 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.765 -7.413 -2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.900 -9.581 -3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.265 -8.521 -4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.017 -8.601 -4.420 1.00 0.00 H new ATOM 593 N ALA A 40 1.960 -4.496 -4.848 1.00 0.00 N ATOM 594 CA ALA A 40 0.895 -3.607 -4.381 1.00 0.00 C ATOM 595 C ALA A 40 0.437 -3.971 -2.969 1.00 0.00 C ATOM 596 O ALA A 40 0.180 -3.093 -2.145 1.00 0.00 O ATOM 597 CB ALA A 40 -0.284 -3.655 -5.344 1.00 0.00 C ATOM 0 H ALA A 40 1.848 -4.813 -5.811 1.00 0.00 H new ATOM 0 HA ALA A 40 1.295 -2.594 -4.349 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.071 -2.991 -4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.041 -3.335 -6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.667 -4.674 -5.400 1.00 0.00 H new ATOM 603 N GLY A 41 0.354 -5.270 -2.699 1.00 0.00 N ATOM 604 CA GLY A 41 -0.086 -5.748 -1.398 1.00 0.00 C ATOM 605 C GLY A 41 0.615 -5.080 -0.231 1.00 0.00 C ATOM 606 O GLY A 41 -0.037 -4.539 0.662 1.00 0.00 O ATOM 0 H GLY A 41 0.586 -6.008 -3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.160 -5.586 -1.306 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.080 -6.824 -1.342 1.00 0.00 H new ATOM 610 N LYS A 42 1.939 -5.152 -0.208 1.00 0.00 N ATOM 611 CA LYS A 42 2.710 -4.580 0.891 1.00 0.00 C ATOM 612 C LYS A 42 2.828 -3.064 0.776 1.00 0.00 C ATOM 613 O LYS A 42 2.804 -2.357 1.784 1.00 0.00 O ATOM 614 CB LYS A 42 4.108 -5.202 0.963 1.00 0.00 C ATOM 615 CG LYS A 42 4.931 -4.719 2.153 1.00 0.00 C ATOM 616 CD LYS A 42 4.095 -4.624 3.423 1.00 0.00 C ATOM 617 CE LYS A 42 4.685 -3.631 4.410 1.00 0.00 C ATOM 618 NZ LYS A 42 5.711 -4.260 5.286 1.00 0.00 N ATOM 0 H LYS A 42 2.501 -5.598 -0.933 1.00 0.00 H new ATOM 0 HA LYS A 42 2.168 -4.810 1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.012 -6.287 1.015 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.646 -4.973 0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.765 -5.401 2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.358 -3.742 1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.079 -4.324 3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.030 -5.607 3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.133 -2.800 3.865 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.888 -3.215 5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.576 -3.937 6.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.615 -5.295 5.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.660 -3.988 4.960 1.00 0.00 H new ATOM 632 N ILE A 43 2.973 -2.569 -0.448 1.00 0.00 N ATOM 633 CA ILE A 43 3.122 -1.134 -0.672 1.00 0.00 C ATOM 634 C ILE A 43 1.982 -0.357 -0.019 1.00 0.00 C ATOM 635 O ILE A 43 2.223 0.503 0.829 1.00 0.00 O ATOM 636 CB ILE A 43 3.189 -0.796 -2.169 1.00 0.00 C ATOM 637 CG1 ILE A 43 4.246 -1.661 -2.860 1.00 0.00 C ATOM 638 CG2 ILE A 43 3.504 0.680 -2.358 1.00 0.00 C ATOM 639 CD1 ILE A 43 4.202 -1.578 -4.369 1.00 0.00 C ATOM 0 H ILE A 43 2.991 -3.135 -1.296 1.00 0.00 H new ATOM 0 HA ILE A 43 4.064 -0.837 -0.212 1.00 0.00 H new ATOM 0 HB ILE A 43 2.220 -1.006 -2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.234 -1.356 -2.516 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.109 -2.699 -2.557 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.549 0.909 -3.423 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.724 1.281 -1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.465 0.909 -1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.978 -2.216 -4.791 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.226 -1.911 -4.723 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.369 -0.547 -4.682 1.00 0.00 H new ATOM 651 N THR A 44 0.741 -0.681 -0.388 1.00 0.00 N ATOM 652 CA THR A 44 -0.420 -0.032 0.206 1.00 0.00 C ATOM 653 C THR A 44 -0.304 -0.041 1.724 1.00 0.00 C ATOM 654 O THR A 44 -0.599 0.950 2.387 1.00 0.00 O ATOM 655 CB THR A 44 -1.707 -0.740 -0.222 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.841 -0.104 0.340 1.00 0.00 O ATOM 657 CG2 THR A 44 -1.755 -2.192 0.187 1.00 0.00 C ATOM 0 H THR A 44 0.519 -1.385 -1.092 1.00 0.00 H new ATOM 0 HA THR A 44 -0.456 1.000 -0.143 1.00 0.00 H new ATOM 0 HB THR A 44 -1.717 -0.682 -1.310 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.654 -0.571 0.053 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.694 -2.633 -0.148 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.921 -2.726 -0.268 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.685 -2.267 1.272 1.00 0.00 H new ATOM 665 N GLY A 45 0.174 -1.163 2.257 1.00 0.00 N ATOM 666 CA GLY A 45 0.343 -1.302 3.690 1.00 0.00 C ATOM 667 C GLY A 45 1.099 -0.145 4.310 1.00 0.00 C ATOM 668 O GLY A 45 0.522 0.651 5.046 1.00 0.00 O ATOM 0 H GLY A 45 0.448 -1.983 1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.637 -1.382 4.160 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.874 -2.230 3.900 1.00 0.00 H new ATOM 672 N MET A 46 2.387 -0.039 4.002 1.00 0.00 N ATOM 673 CA MET A 46 3.223 1.020 4.568 1.00 0.00 C ATOM 674 C MET A 46 2.638 2.407 4.303 1.00 0.00 C ATOM 675 O MET A 46 2.574 3.240 5.209 1.00 0.00 O ATOM 676 CB MET A 46 4.650 0.942 4.012 1.00 0.00 C ATOM 677 CG MET A 46 4.748 0.313 2.630 1.00 0.00 C ATOM 678 SD MET A 46 5.932 -1.045 2.566 1.00 0.00 S ATOM 679 CE MET A 46 7.472 -0.169 2.821 1.00 0.00 C ATOM 0 H MET A 46 2.876 -0.669 3.366 1.00 0.00 H new ATOM 0 HA MET A 46 3.251 0.865 5.647 1.00 0.00 H new ATOM 0 HB2 MET A 46 5.067 1.948 3.971 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.267 0.369 4.704 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.766 -0.053 2.331 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.037 1.076 1.908 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.245 -0.598 2.183 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.338 0.883 2.571 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.773 -0.258 3.865 1.00 0.00 H new ATOM 689 N LEU A 47 2.219 2.661 3.066 1.00 0.00 N ATOM 690 CA LEU A 47 1.663 3.964 2.707 1.00 0.00 C ATOM 691 C LEU A 47 0.201 4.092 3.135 1.00 0.00 C ATOM 692 O LEU A 47 -0.463 5.072 2.795 1.00 0.00 O ATOM 693 CB LEU A 47 1.784 4.212 1.198 1.00 0.00 C ATOM 694 CG LEU A 47 3.213 4.375 0.660 1.00 0.00 C ATOM 695 CD1 LEU A 47 4.037 5.281 1.564 1.00 0.00 C ATOM 696 CD2 LEU A 47 3.886 3.020 0.505 1.00 0.00 C ATOM 0 H LEU A 47 2.253 1.988 2.300 1.00 0.00 H new ATOM 0 HA LEU A 47 2.242 4.717 3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.311 3.382 0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.218 5.110 0.950 1.00 0.00 H new ATOM 0 HG LEU A 47 3.151 4.844 -0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.045 5.379 1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.570 6.264 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.088 4.849 2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.897 3.158 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.929 2.522 1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.315 2.408 -0.193 1.00 0.00 H new ATOM 708 N LEU A 48 -0.301 3.108 3.880 1.00 0.00 N ATOM 709 CA LEU A 48 -1.686 3.144 4.346 1.00 0.00 C ATOM 710 C LEU A 48 -1.891 4.287 5.334 1.00 0.00 C ATOM 711 O LEU A 48 -3.023 4.671 5.631 1.00 0.00 O ATOM 712 CB LEU A 48 -2.091 1.806 4.981 1.00 0.00 C ATOM 713 CG LEU A 48 -3.470 1.275 4.576 1.00 0.00 C ATOM 714 CD1 LEU A 48 -4.489 2.399 4.481 1.00 0.00 C ATOM 715 CD2 LEU A 48 -3.379 0.529 3.256 1.00 0.00 C ATOM 0 H LEU A 48 0.225 2.284 4.171 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.326 3.315 3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.342 1.058 4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.067 1.916 6.065 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.806 0.585 5.350 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.457 1.989 4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.578 2.892 5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.164 3.123 3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.366 0.157 2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.016 1.204 2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.691 -0.310 3.359 1.00 0.00 H new ATOM 727 N GLU A 49 -0.790 4.858 5.809 1.00 0.00 N ATOM 728 CA GLU A 49 -0.852 5.985 6.731 1.00 0.00 C ATOM 729 C GLU A 49 -1.157 7.277 5.976 1.00 0.00 C ATOM 730 O GLU A 49 -0.927 8.375 6.483 1.00 0.00 O ATOM 731 CB GLU A 49 0.469 6.122 7.492 1.00 0.00 C ATOM 732 CG GLU A 49 0.752 4.958 8.428 1.00 0.00 C ATOM 733 CD GLU A 49 0.947 5.402 9.866 1.00 0.00 C ATOM 734 OE1 GLU A 49 1.054 6.624 10.102 1.00 0.00 O ATOM 735 OE2 GLU A 49 0.987 4.529 10.757 1.00 0.00 O ATOM 0 H GLU A 49 0.156 4.559 5.571 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.654 5.801 7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.285 6.208 6.775 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.453 7.047 8.069 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.074 4.248 8.379 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.645 4.432 8.089 1.00 0.00 H new ATOM 742 N ILE A 50 -1.693 7.132 4.767 1.00 0.00 N ATOM 743 CA ILE A 50 -2.031 8.276 3.929 1.00 0.00 C ATOM 744 C ILE A 50 -3.398 8.847 4.306 1.00 0.00 C ATOM 745 O ILE A 50 -4.183 8.198 4.996 1.00 0.00 O ATOM 746 CB ILE A 50 -2.019 7.888 2.432 1.00 0.00 C ATOM 747 CG1 ILE A 50 -1.469 9.036 1.582 1.00 0.00 C ATOM 748 CG2 ILE A 50 -3.409 7.489 1.957 1.00 0.00 C ATOM 749 CD1 ILE A 50 -0.960 8.590 0.228 1.00 0.00 C ATOM 0 H ILE A 50 -1.903 6.227 4.345 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.274 9.042 4.098 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.363 7.025 2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.252 9.781 1.440 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.659 9.524 2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.370 7.221 0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.760 6.634 2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -4.094 8.325 2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.585 9.453 -0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.155 7.867 0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.773 8.128 -0.332 1.00 0.00 H new ATOM 761 N ASP A 51 -3.664 10.070 3.861 1.00 0.00 N ATOM 762 CA ASP A 51 -4.926 10.739 4.158 1.00 0.00 C ATOM 763 C ASP A 51 -6.089 10.111 3.401 1.00 0.00 C ATOM 764 O ASP A 51 -5.898 9.476 2.364 1.00 0.00 O ATOM 765 CB ASP A 51 -4.832 12.217 3.788 1.00 0.00 C ATOM 766 CG ASP A 51 -4.118 13.037 4.843 1.00 0.00 C ATOM 767 OD1 ASP A 51 -4.792 13.522 5.776 1.00 0.00 O ATOM 768 OD2 ASP A 51 -2.883 13.192 4.739 1.00 0.00 O ATOM 0 H ASP A 51 -3.021 10.620 3.292 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.111 10.629 5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.307 12.317 2.838 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.836 12.616 3.641 1.00 0.00 H new ATOM 773 N ASN A 52 -7.298 10.336 3.906 1.00 0.00 N ATOM 774 CA ASN A 52 -8.504 9.854 3.246 1.00 0.00 C ATOM 775 C ASN A 52 -8.989 10.892 2.242 1.00 0.00 C ATOM 776 O ASN A 52 -9.595 10.562 1.224 1.00 0.00 O ATOM 777 CB ASN A 52 -9.602 9.556 4.270 1.00 0.00 C ATOM 778 CG ASN A 52 -9.533 8.133 4.794 1.00 0.00 C ATOM 779 OD1 ASN A 52 -8.918 7.870 5.828 1.00 0.00 O ATOM 780 ND2 ASN A 52 -10.166 7.207 4.081 1.00 0.00 N ATOM 0 H ASN A 52 -7.467 10.850 4.771 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.269 8.928 2.722 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.516 10.252 5.104 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.577 9.725 3.813 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.155 6.233 4.385 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.663 7.470 3.230 1.00 0.00 H new ATOM 787 N SER A 53 -8.700 12.156 2.528 1.00 0.00 N ATOM 788 CA SER A 53 -9.050 13.237 1.620 1.00 0.00 C ATOM 789 C SER A 53 -8.110 13.210 0.422 1.00 0.00 C ATOM 790 O SER A 53 -8.488 13.566 -0.696 1.00 0.00 O ATOM 791 CB SER A 53 -8.962 14.588 2.333 1.00 0.00 C ATOM 792 OG SER A 53 -10.229 15.222 2.385 1.00 0.00 O ATOM 0 H SER A 53 -8.225 12.455 3.380 1.00 0.00 H new ATOM 0 HA SER A 53 -10.076 13.100 1.280 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.582 14.445 3.345 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.251 15.231 1.814 1.00 0.00 H new ATOM 0 HG SER A 53 -10.146 16.082 2.847 1.00 0.00 H new ATOM 798 N GLU A 54 -6.889 12.747 0.669 1.00 0.00 N ATOM 799 CA GLU A 54 -5.883 12.631 -0.376 1.00 0.00 C ATOM 800 C GLU A 54 -6.158 11.414 -1.249 1.00 0.00 C ATOM 801 O GLU A 54 -5.824 11.401 -2.432 1.00 0.00 O ATOM 802 CB GLU A 54 -4.488 12.520 0.242 1.00 0.00 C ATOM 803 CG GLU A 54 -3.771 13.853 0.373 1.00 0.00 C ATOM 804 CD GLU A 54 -2.552 13.949 -0.522 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.710 13.028 -0.478 1.00 0.00 O ATOM 806 OE2 GLU A 54 -2.440 14.944 -1.268 1.00 0.00 O ATOM 0 H GLU A 54 -6.573 12.445 1.590 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.928 13.526 -0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.572 12.064 1.229 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.882 11.850 -0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.462 14.659 0.127 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.468 13.998 1.410 1.00 0.00 H new ATOM 813 N LEU A 55 -6.776 10.392 -0.659 1.00 0.00 N ATOM 814 CA LEU A 55 -7.098 9.175 -1.390 1.00 0.00 C ATOM 815 C LEU A 55 -8.005 9.491 -2.572 1.00 0.00 C ATOM 816 O LEU A 55 -7.751 9.063 -3.698 1.00 0.00 O ATOM 817 CB LEU A 55 -7.746 8.142 -0.451 1.00 0.00 C ATOM 818 CG LEU A 55 -9.277 8.195 -0.317 1.00 0.00 C ATOM 819 CD1 LEU A 55 -9.958 7.464 -1.466 1.00 0.00 C ATOM 820 CD2 LEU A 55 -9.711 7.598 1.012 1.00 0.00 C ATOM 0 H LEU A 55 -7.062 10.385 0.320 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.176 8.743 -1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.469 7.146 -0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.313 8.266 0.542 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.580 9.241 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.040 7.519 -1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.676 7.929 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.646 6.420 -1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.797 7.642 1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.385 6.559 1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.263 8.164 1.829 1.00 0.00 H new ATOM 832 N LEU A 56 -9.046 10.274 -2.311 1.00 0.00 N ATOM 833 CA LEU A 56 -9.985 10.670 -3.351 1.00 0.00 C ATOM 834 C LEU A 56 -9.269 11.453 -4.446 1.00 0.00 C ATOM 835 O LEU A 56 -9.514 11.242 -5.634 1.00 0.00 O ATOM 836 CB LEU A 56 -11.118 11.510 -2.753 1.00 0.00 C ATOM 837 CG LEU A 56 -12.432 11.513 -3.544 1.00 0.00 C ATOM 838 CD1 LEU A 56 -12.321 12.407 -4.769 1.00 0.00 C ATOM 839 CD2 LEU A 56 -12.825 10.099 -3.946 1.00 0.00 C ATOM 0 H LEU A 56 -9.260 10.647 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.412 9.769 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.322 11.147 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.771 12.539 -2.656 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.214 11.913 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -13.264 12.394 -5.315 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -12.097 13.427 -4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.523 12.042 -5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.760 10.126 -4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.042 9.667 -4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.955 9.489 -3.052 1.00 0.00 H new ATOM 851 N HIS A 57 -8.369 12.342 -4.038 1.00 0.00 N ATOM 852 CA HIS A 57 -7.602 13.141 -4.986 1.00 0.00 C ATOM 853 C HIS A 57 -6.749 12.244 -5.878 1.00 0.00 C ATOM 854 O HIS A 57 -6.653 12.464 -7.085 1.00 0.00 O ATOM 855 CB HIS A 57 -6.712 14.140 -4.243 1.00 0.00 C ATOM 856 CG HIS A 57 -7.151 15.562 -4.390 1.00 0.00 C ATOM 857 ND1 HIS A 57 -8.237 16.053 -3.704 1.00 0.00 N ATOM 858 CD2 HIS A 57 -6.622 16.554 -5.148 1.00 0.00 C ATOM 859 CE1 HIS A 57 -8.345 17.322 -4.056 1.00 0.00 C ATOM 860 NE2 HIS A 57 -7.389 17.669 -4.929 1.00 0.00 N ATOM 0 H HIS A 57 -8.153 12.527 -3.058 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.302 13.692 -5.614 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.696 13.882 -3.184 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.690 14.045 -4.609 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.763 16.480 -5.798 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -9.106 17.994 -3.687 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -7.257 18.588 -5.351 1.00 0.00 H new ATOM 868 N MET A 58 -6.137 11.229 -5.274 1.00 0.00 N ATOM 869 CA MET A 58 -5.312 10.278 -6.013 1.00 0.00 C ATOM 870 C MET A 58 -6.158 9.539 -7.042 1.00 0.00 C ATOM 871 O MET A 58 -5.707 9.261 -8.153 1.00 0.00 O ATOM 872 CB MET A 58 -4.665 9.279 -5.048 1.00 0.00 C ATOM 873 CG MET A 58 -3.601 9.880 -4.133 1.00 0.00 C ATOM 874 SD MET A 58 -3.528 11.685 -4.186 1.00 0.00 S ATOM 875 CE MET A 58 -2.383 11.950 -5.537 1.00 0.00 C ATOM 0 H MET A 58 -6.197 11.044 -4.273 1.00 0.00 H new ATOM 0 HA MET A 58 -4.525 10.825 -6.532 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.445 8.831 -4.432 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.215 8.473 -5.628 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.796 9.564 -3.108 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.627 9.478 -4.411 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.702 12.763 -5.283 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.811 11.039 -5.713 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.938 12.210 -6.439 1.00 0.00 H new ATOM 885 N LEU A 59 -7.397 9.250 -6.667 1.00 0.00 N ATOM 886 CA LEU A 59 -8.331 8.571 -7.553 1.00 0.00 C ATOM 887 C LEU A 59 -8.769 9.502 -8.678 1.00 0.00 C ATOM 888 O LEU A 59 -9.242 9.053 -9.723 1.00 0.00 O ATOM 889 CB LEU A 59 -9.549 8.092 -6.750 1.00 0.00 C ATOM 890 CG LEU A 59 -10.733 7.577 -7.573 1.00 0.00 C ATOM 891 CD1 LEU A 59 -11.415 6.422 -6.854 1.00 0.00 C ATOM 892 CD2 LEU A 59 -11.730 8.697 -7.838 1.00 0.00 C ATOM 0 H LEU A 59 -7.780 9.477 -5.749 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.836 7.708 -7.997 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.226 7.298 -6.077 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.896 8.916 -6.127 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.355 7.218 -8.531 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -12.255 6.067 -7.451 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.702 5.610 -6.711 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -11.778 6.761 -5.884 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -12.564 8.311 -8.424 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -12.102 9.085 -6.890 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -11.239 9.498 -8.390 1.00 0.00 H new ATOM 904 N GLU A 60 -8.596 10.802 -8.460 1.00 0.00 N ATOM 905 CA GLU A 60 -8.980 11.796 -9.451 1.00 0.00 C ATOM 906 C GLU A 60 -7.753 12.386 -10.144 1.00 0.00 C ATOM 907 O GLU A 60 -7.877 13.215 -11.047 1.00 0.00 O ATOM 908 CB GLU A 60 -9.809 12.907 -8.792 1.00 0.00 C ATOM 909 CG GLU A 60 -8.986 14.089 -8.299 1.00 0.00 C ATOM 910 CD GLU A 60 -9.836 15.312 -8.011 1.00 0.00 C ATOM 911 OE1 GLU A 60 -10.839 15.178 -7.278 1.00 0.00 O ATOM 912 OE2 GLU A 60 -9.498 16.402 -8.516 1.00 0.00 O ATOM 0 H GLU A 60 -8.193 11.189 -7.607 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.588 11.303 -10.209 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.548 13.266 -9.508 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.359 12.485 -7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.451 13.802 -7.394 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.235 14.341 -9.047 1.00 0.00 H new ATOM 919 N SER A 61 -6.572 11.955 -9.714 1.00 0.00 N ATOM 920 CA SER A 61 -5.324 12.442 -10.290 1.00 0.00 C ATOM 921 C SER A 61 -4.483 11.287 -10.824 1.00 0.00 C ATOM 922 O SER A 61 -3.533 10.858 -10.179 1.00 0.00 O ATOM 923 CB SER A 61 -4.522 13.219 -9.244 1.00 0.00 C ATOM 924 OG SER A 61 -5.033 14.530 -9.077 1.00 0.00 O ATOM 0 H SER A 61 -6.453 11.269 -8.968 1.00 0.00 H new ATOM 0 HA SER A 61 -5.574 13.105 -11.118 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.553 12.690 -8.292 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.476 13.269 -9.547 1.00 0.00 H new ATOM 0 HG SER A 61 -4.504 15.004 -8.402 1.00 0.00 H new ATOM 930 N PRO A 62 -4.818 10.767 -12.014 1.00 0.00 N ATOM 931 CA PRO A 62 -4.074 9.657 -12.617 1.00 0.00 C ATOM 932 C PRO A 62 -2.587 9.973 -12.758 1.00 0.00 C ATOM 933 O PRO A 62 -1.739 9.095 -12.607 1.00 0.00 O ATOM 934 CB PRO A 62 -4.720 9.495 -13.996 1.00 0.00 C ATOM 935 CG PRO A 62 -6.080 10.089 -13.854 1.00 0.00 C ATOM 936 CD PRO A 62 -5.939 11.210 -12.863 1.00 0.00 C ATOM 0 HA PRO A 62 -4.121 8.755 -12.006 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.143 10.008 -14.765 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.775 8.446 -14.286 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.447 10.458 -14.812 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.796 9.346 -13.504 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.722 12.158 -13.355 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.851 11.353 -12.284 1.00 0.00 H new ATOM 944 N GLU A 63 -2.283 11.230 -13.067 1.00 0.00 N ATOM 945 CA GLU A 63 -0.902 11.665 -13.252 1.00 0.00 C ATOM 946 C GLU A 63 -0.190 11.890 -11.914 1.00 0.00 C ATOM 947 O GLU A 63 0.950 11.461 -11.732 1.00 0.00 O ATOM 948 CB GLU A 63 -0.865 12.937 -14.115 1.00 0.00 C ATOM 949 CG GLU A 63 -0.218 14.140 -13.444 1.00 0.00 C ATOM 950 CD GLU A 63 -0.362 15.409 -14.260 1.00 0.00 C ATOM 951 OE1 GLU A 63 0.071 15.414 -15.432 1.00 0.00 O ATOM 952 OE2 GLU A 63 -0.906 16.399 -13.728 1.00 0.00 O ATOM 0 H GLU A 63 -2.976 11.967 -13.195 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.364 10.870 -13.768 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.326 12.719 -15.037 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.885 13.199 -14.396 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.668 14.290 -12.463 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.840 13.935 -13.281 1.00 0.00 H new ATOM 959 N SER A 64 -0.851 12.588 -10.992 1.00 0.00 N ATOM 960 CA SER A 64 -0.251 12.899 -9.697 1.00 0.00 C ATOM 961 C SER A 64 -0.141 11.654 -8.824 1.00 0.00 C ATOM 962 O SER A 64 0.920 11.357 -8.276 1.00 0.00 O ATOM 963 CB SER A 64 -1.075 13.967 -8.975 1.00 0.00 C ATOM 964 OG SER A 64 -1.325 15.076 -9.820 1.00 0.00 O ATOM 0 H SER A 64 -1.797 12.947 -11.117 1.00 0.00 H new ATOM 0 HA SER A 64 0.754 13.279 -9.878 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.021 13.538 -8.643 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.544 14.298 -8.082 1.00 0.00 H new ATOM 0 HG SER A 64 -1.855 15.743 -9.336 1.00 0.00 H new ATOM 970 N LEU A 65 -1.249 10.937 -8.701 1.00 0.00 N ATOM 971 CA LEU A 65 -1.305 9.730 -7.887 1.00 0.00 C ATOM 972 C LEU A 65 -0.276 8.708 -8.359 1.00 0.00 C ATOM 973 O LEU A 65 0.567 8.272 -7.576 1.00 0.00 O ATOM 974 CB LEU A 65 -2.734 9.159 -7.929 1.00 0.00 C ATOM 975 CG LEU A 65 -2.934 7.665 -7.611 1.00 0.00 C ATOM 976 CD1 LEU A 65 -2.867 6.838 -8.881 1.00 0.00 C ATOM 977 CD2 LEU A 65 -1.952 7.151 -6.567 1.00 0.00 C ATOM 0 H LEU A 65 -2.129 11.173 -9.159 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.057 9.975 -6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.342 9.732 -7.229 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.136 9.344 -8.925 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.928 7.559 -7.177 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.010 5.785 -8.638 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.649 7.161 -9.568 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.893 6.972 -9.352 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.138 6.093 -6.382 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.933 7.282 -6.931 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.081 7.710 -5.640 1.00 0.00 H new ATOM 989 N ARG A 66 -0.345 8.325 -9.626 1.00 0.00 N ATOM 990 CA ARG A 66 0.583 7.336 -10.157 1.00 0.00 C ATOM 991 C ARG A 66 2.026 7.726 -9.845 1.00 0.00 C ATOM 992 O ARG A 66 2.883 6.864 -9.654 1.00 0.00 O ATOM 993 CB ARG A 66 0.398 7.163 -11.663 1.00 0.00 C ATOM 994 CG ARG A 66 0.800 5.783 -12.161 1.00 0.00 C ATOM 995 CD ARG A 66 -0.278 5.170 -13.038 1.00 0.00 C ATOM 996 NE ARG A 66 -1.454 4.778 -12.267 1.00 0.00 N ATOM 997 CZ ARG A 66 -2.687 4.755 -12.763 1.00 0.00 C ATOM 998 NH1 ARG A 66 -2.906 5.101 -14.025 1.00 0.00 N ATOM 999 NH2 ARG A 66 -3.705 4.386 -11.996 1.00 0.00 N ATOM 0 H ARG A 66 -1.025 8.679 -10.299 1.00 0.00 H new ATOM 0 HA ARG A 66 0.366 6.384 -9.673 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.646 7.344 -11.918 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.988 7.917 -12.184 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.731 5.855 -12.724 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.992 5.130 -11.310 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.570 5.886 -13.806 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.126 4.298 -13.552 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.322 4.506 -11.293 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.127 5.386 -14.618 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.854 5.082 -14.402 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.542 4.120 -11.025 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.651 4.369 -12.377 1.00 0.00 H new ATOM 1013 N SER A 67 2.280 9.031 -9.771 1.00 0.00 N ATOM 1014 CA SER A 67 3.610 9.535 -9.444 1.00 0.00 C ATOM 1015 C SER A 67 3.945 9.239 -7.986 1.00 0.00 C ATOM 1016 O SER A 67 5.075 8.875 -7.655 1.00 0.00 O ATOM 1017 CB SER A 67 3.688 11.041 -9.703 1.00 0.00 C ATOM 1018 OG SER A 67 5.033 11.473 -9.800 1.00 0.00 O ATOM 0 H SER A 67 1.582 9.757 -9.933 1.00 0.00 H new ATOM 0 HA SER A 67 4.336 9.031 -10.082 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.158 11.283 -10.624 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.188 11.578 -8.897 1.00 0.00 H new ATOM 0 HG SER A 67 5.055 12.438 -9.967 1.00 0.00 H new ATOM 1024 N LYS A 68 2.942 9.368 -7.123 1.00 0.00 N ATOM 1025 CA LYS A 68 3.114 9.094 -5.703 1.00 0.00 C ATOM 1026 C LYS A 68 3.415 7.621 -5.486 1.00 0.00 C ATOM 1027 O LYS A 68 4.453 7.260 -4.934 1.00 0.00 O ATOM 1028 CB LYS A 68 1.848 9.464 -4.930 1.00 0.00 C ATOM 1029 CG LYS A 68 1.910 10.830 -4.263 1.00 0.00 C ATOM 1030 CD LYS A 68 0.527 11.325 -3.859 1.00 0.00 C ATOM 1031 CE LYS A 68 -0.177 10.354 -2.930 1.00 0.00 C ATOM 1032 NZ LYS A 68 -0.030 10.760 -1.507 1.00 0.00 N ATOM 0 H LYS A 68 2.001 9.661 -7.384 1.00 0.00 H new ATOM 0 HA LYS A 68 3.947 9.695 -5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.998 9.442 -5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.665 8.706 -4.168 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.549 10.775 -3.381 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.368 11.547 -4.944 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.618 12.294 -3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.079 11.476 -4.752 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.235 10.304 -3.188 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.233 9.354 -3.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.698 10.173 -1.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.251 11.760 -1.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.937 10.631 -1.014 1.00 0.00 H new ATOM 1046 N VAL A 69 2.496 6.774 -5.936 1.00 0.00 N ATOM 1047 CA VAL A 69 2.657 5.338 -5.795 1.00 0.00 C ATOM 1048 C VAL A 69 3.882 4.856 -6.568 1.00 0.00 C ATOM 1049 O VAL A 69 4.446 3.807 -6.261 1.00 0.00 O ATOM 1050 CB VAL A 69 1.398 4.578 -6.258 1.00 0.00 C ATOM 1051 CG1 VAL A 69 1.667 3.086 -6.375 1.00 0.00 C ATOM 1052 CG2 VAL A 69 0.252 4.834 -5.295 1.00 0.00 C ATOM 0 H VAL A 69 1.634 7.060 -6.400 1.00 0.00 H new ATOM 0 HA VAL A 69 2.804 5.127 -4.736 1.00 0.00 H new ATOM 0 HB VAL A 69 1.123 4.946 -7.246 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.760 2.577 -6.703 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.462 2.915 -7.101 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.972 2.694 -5.405 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.633 4.293 -5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.531 4.491 -4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.034 5.902 -5.264 1.00 0.00 H new ATOM 1062 N ASP A 70 4.313 5.645 -7.550 1.00 0.00 N ATOM 1063 CA ASP A 70 5.511 5.313 -8.311 1.00 0.00 C ATOM 1064 C ASP A 70 6.673 5.103 -7.351 1.00 0.00 C ATOM 1065 O ASP A 70 7.365 4.084 -7.402 1.00 0.00 O ATOM 1066 CB ASP A 70 5.846 6.422 -9.310 1.00 0.00 C ATOM 1067 CG ASP A 70 7.163 6.181 -10.020 1.00 0.00 C ATOM 1068 OD1 ASP A 70 7.432 5.021 -10.397 1.00 0.00 O ATOM 1069 OD2 ASP A 70 7.926 7.153 -10.201 1.00 0.00 O ATOM 0 H ASP A 70 3.854 6.511 -7.834 1.00 0.00 H new ATOM 0 HA ASP A 70 5.330 4.397 -8.873 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.047 6.496 -10.048 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.888 7.378 -8.787 1.00 0.00 H new ATOM 1074 N GLU A 71 6.843 6.054 -6.438 1.00 0.00 N ATOM 1075 CA GLU A 71 7.871 5.946 -5.414 1.00 0.00 C ATOM 1076 C GLU A 71 7.510 4.831 -4.444 1.00 0.00 C ATOM 1077 O GLU A 71 8.382 4.142 -3.918 1.00 0.00 O ATOM 1078 CB GLU A 71 8.023 7.269 -4.662 1.00 0.00 C ATOM 1079 CG GLU A 71 9.308 7.363 -3.853 1.00 0.00 C ATOM 1080 CD GLU A 71 9.658 8.790 -3.482 1.00 0.00 C ATOM 1081 OE1 GLU A 71 8.736 9.555 -3.127 1.00 0.00 O ATOM 1082 OE2 GLU A 71 10.853 9.144 -3.548 1.00 0.00 O ATOM 0 H GLU A 71 6.283 6.905 -6.388 1.00 0.00 H new ATOM 0 HA GLU A 71 8.822 5.714 -5.893 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.993 8.090 -5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.172 7.398 -3.993 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.206 6.770 -2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.127 6.929 -4.427 1.00 0.00 H new ATOM 1089 N ALA A 72 6.208 4.649 -4.235 1.00 0.00 N ATOM 1090 CA ALA A 72 5.706 3.596 -3.363 1.00 0.00 C ATOM 1091 C ALA A 72 6.182 2.232 -3.849 1.00 0.00 C ATOM 1092 O ALA A 72 6.480 1.342 -3.053 1.00 0.00 O ATOM 1093 CB ALA A 72 4.189 3.647 -3.298 1.00 0.00 C ATOM 0 H ALA A 72 5.480 5.222 -4.662 1.00 0.00 H new ATOM 0 HA ALA A 72 6.098 3.755 -2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.826 2.855 -2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.874 4.614 -2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.777 3.508 -4.298 1.00 0.00 H new ATOM 1099 N VAL A 73 6.270 2.084 -5.167 1.00 0.00 N ATOM 1100 CA VAL A 73 6.759 0.852 -5.766 1.00 0.00 C ATOM 1101 C VAL A 73 8.238 0.673 -5.437 1.00 0.00 C ATOM 1102 O VAL A 73 8.716 -0.447 -5.249 1.00 0.00 O ATOM 1103 CB VAL A 73 6.564 0.857 -7.299 1.00 0.00 C ATOM 1104 CG1 VAL A 73 7.401 -0.225 -7.963 1.00 0.00 C ATOM 1105 CG2 VAL A 73 5.091 0.692 -7.652 1.00 0.00 C ATOM 0 H VAL A 73 6.008 2.805 -5.840 1.00 0.00 H new ATOM 0 HA VAL A 73 6.185 0.022 -5.353 1.00 0.00 H new ATOM 0 HB VAL A 73 6.904 1.821 -7.678 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.243 -0.197 -9.041 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.455 -0.054 -7.746 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.105 -1.201 -7.578 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.974 0.698 -8.736 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.725 -0.254 -7.253 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.519 1.514 -7.221 1.00 0.00 H new ATOM 1115 N ALA A 74 8.946 1.794 -5.338 1.00 0.00 N ATOM 1116 CA ALA A 74 10.368 1.777 -5.017 1.00 0.00 C ATOM 1117 C ALA A 74 10.598 1.387 -3.561 1.00 0.00 C ATOM 1118 O ALA A 74 11.552 0.674 -3.249 1.00 0.00 O ATOM 1119 CB ALA A 74 10.993 3.133 -5.308 1.00 0.00 C ATOM 0 H ALA A 74 8.557 2.727 -5.476 1.00 0.00 H new ATOM 0 HA ALA A 74 10.847 1.027 -5.646 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.055 3.104 -5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.870 3.371 -6.365 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.502 3.897 -4.705 1.00 0.00 H new ATOM 1125 N VAL A 75 9.725 1.860 -2.670 1.00 0.00 N ATOM 1126 CA VAL A 75 9.842 1.533 -1.252 1.00 0.00 C ATOM 1127 C VAL A 75 9.830 0.018 -1.065 1.00 0.00 C ATOM 1128 O VAL A 75 10.502 -0.521 -0.186 1.00 0.00 O ATOM 1129 CB VAL A 75 8.716 2.175 -0.401 1.00 0.00 C ATOM 1130 CG1 VAL A 75 8.260 3.490 -1.013 1.00 0.00 C ATOM 1131 CG2 VAL A 75 7.536 1.228 -0.231 1.00 0.00 C ATOM 0 H VAL A 75 8.937 2.465 -2.904 1.00 0.00 H new ATOM 0 HA VAL A 75 10.789 1.945 -0.903 1.00 0.00 H new ATOM 0 HB VAL A 75 9.127 2.377 0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.470 3.922 -0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.102 4.181 -1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.881 3.311 -2.019 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.766 1.711 0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 75 7.127 0.976 -1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.869 0.318 0.268 1.00 0.00 H new ATOM 1141 N LEU A 76 9.080 -0.659 -1.928 1.00 0.00 N ATOM 1142 CA LEU A 76 8.983 -2.111 -1.895 1.00 0.00 C ATOM 1143 C LEU A 76 10.300 -2.744 -2.324 1.00 0.00 C ATOM 1144 O LEU A 76 10.820 -3.634 -1.651 1.00 0.00 O ATOM 1145 CB LEU A 76 7.849 -2.579 -2.816 1.00 0.00 C ATOM 1146 CG LEU A 76 7.577 -4.090 -2.830 1.00 0.00 C ATOM 1147 CD1 LEU A 76 8.525 -4.799 -3.787 1.00 0.00 C ATOM 1148 CD2 LEU A 76 7.683 -4.678 -1.430 1.00 0.00 C ATOM 0 H LEU A 76 8.527 -0.220 -2.664 1.00 0.00 H new ATOM 0 HA LEU A 76 8.766 -2.423 -0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.933 -2.067 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.078 -2.261 -3.833 1.00 0.00 H new ATOM 0 HG LEU A 76 6.557 -4.245 -3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.315 -5.869 -3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.385 -4.407 -4.794 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.554 -4.630 -3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.486 -5.749 -1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.686 -4.508 -1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.953 -4.198 -0.778 1.00 0.00 H new ATOM 1160 N GLN A 77 10.826 -2.287 -3.457 1.00 0.00 N ATOM 1161 CA GLN A 77 12.083 -2.804 -3.982 1.00 0.00 C ATOM 1162 C GLN A 77 13.183 -2.710 -2.930 1.00 0.00 C ATOM 1163 O GLN A 77 14.045 -3.583 -2.840 1.00 0.00 O ATOM 1164 CB GLN A 77 12.490 -2.036 -5.241 1.00 0.00 C ATOM 1165 CG GLN A 77 11.648 -2.377 -6.459 1.00 0.00 C ATOM 1166 CD GLN A 77 12.002 -3.725 -7.054 1.00 0.00 C ATOM 1167 OE1 GLN A 77 11.547 -4.795 -6.411 1.00 0.00 O flip ATOM 1168 NE2 GLN A 77 12.677 -3.806 -8.081 1.00 0.00 N flip ATOM 0 H GLN A 77 10.399 -1.558 -4.029 1.00 0.00 H new ATOM 0 HA GLN A 77 11.941 -3.853 -4.242 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.414 -0.966 -5.045 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.536 -2.246 -5.462 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.594 -2.373 -6.180 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.781 -1.604 -7.216 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.006 -2.958 -8.543 1.00 0.00 H new ATOM 0 HE22 GLN A 77 12.907 -4.721 -8.469 1.00 0.00 H new ATOM 1177 N ALA A 78 13.136 -1.650 -2.129 1.00 0.00 N ATOM 1178 CA ALA A 78 14.112 -1.452 -1.064 1.00 0.00 C ATOM 1179 C ALA A 78 13.746 -2.279 0.163 1.00 0.00 C ATOM 1180 O ALA A 78 14.612 -2.662 0.950 1.00 0.00 O ATOM 1181 CB ALA A 78 14.211 0.022 -0.703 1.00 0.00 C ATOM 0 H ALA A 78 12.432 -0.915 -2.198 1.00 0.00 H new ATOM 0 HA ALA A 78 15.085 -1.787 -1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.944 0.153 0.093 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.522 0.591 -1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.239 0.380 -0.364 1.00 0.00 H new ATOM 1187 N HIS A 79 12.452 -2.557 0.315 1.00 0.00 N ATOM 1188 CA HIS A 79 11.961 -3.346 1.439 1.00 0.00 C ATOM 1189 C HIS A 79 12.446 -4.788 1.341 1.00 0.00 C ATOM 1190 O HIS A 79 13.186 -5.262 2.202 1.00 0.00 O ATOM 1191 CB HIS A 79 10.432 -3.309 1.487 1.00 0.00 C ATOM 1192 CG HIS A 79 9.877 -3.313 2.877 1.00 0.00 C ATOM 1193 ND1 HIS A 79 9.985 -2.213 3.695 1.00 0.00 N ATOM 1194 CD2 HIS A 79 9.228 -4.299 3.544 1.00 0.00 C ATOM 1195 CE1 HIS A 79 9.402 -2.549 4.832 1.00 0.00 C ATOM 1196 NE2 HIS A 79 8.930 -3.803 4.786 1.00 0.00 N ATOM 0 H HIS A 79 11.725 -2.246 -0.329 1.00 0.00 H new ATOM 0 HA HIS A 79 12.355 -2.911 2.358 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.082 -2.417 0.967 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.039 -4.169 0.945 1.00 0.00 H new ATOM 0 HD1 HIS A 79 10.425 -1.321 3.470 1.00 0.00 H new ATOM 0 HD2 HIS A 79 8.992 -5.284 3.169 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.317 -1.897 5.689 1.00 0.00 H new ATOM 1204 N GLN A 80 12.032 -5.475 0.281 1.00 0.00 N ATOM 1205 CA GLN A 80 12.423 -6.864 0.067 1.00 0.00 C ATOM 1206 C GLN A 80 13.931 -6.986 -0.125 1.00 0.00 C ATOM 1207 O GLN A 80 14.486 -8.083 -0.073 1.00 0.00 O ATOM 1208 CB GLN A 80 11.695 -7.438 -1.151 1.00 0.00 C ATOM 1209 CG GLN A 80 10.612 -8.442 -0.793 1.00 0.00 C ATOM 1210 CD GLN A 80 10.014 -9.114 -2.014 1.00 0.00 C ATOM 1211 OE1 GLN A 80 9.994 -10.340 -2.114 1.00 0.00 O ATOM 1212 NE2 GLN A 80 9.520 -8.311 -2.950 1.00 0.00 N ATOM 0 H GLN A 80 11.425 -5.092 -0.444 1.00 0.00 H new ATOM 0 HA GLN A 80 12.143 -7.433 0.954 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.248 -6.620 -1.716 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.422 -7.918 -1.806 1.00 0.00 H new ATOM 0 HG2 GLN A 80 11.030 -9.202 -0.133 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.822 -7.936 -0.238 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.558 -7.299 -2.826 1.00 0.00 H new ATOM 0 HE22 GLN A 80 9.103 -8.706 -3.793 1.00 0.00 H new ATOM 1221 N ALA A 81 14.592 -5.852 -0.346 1.00 0.00 N ATOM 1222 CA ALA A 81 16.036 -5.836 -0.544 1.00 0.00 C ATOM 1223 C ALA A 81 16.772 -6.100 0.766 1.00 0.00 C ATOM 1224 O ALA A 81 17.557 -7.043 0.868 1.00 0.00 O ATOM 1225 CB ALA A 81 16.475 -4.506 -1.138 1.00 0.00 C ATOM 0 H ALA A 81 14.150 -4.934 -0.392 1.00 0.00 H new ATOM 0 HA ALA A 81 16.290 -6.634 -1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.556 -4.510 -1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.983 -4.357 -2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.201 -3.697 -0.461 1.00 0.00 H new ATOM 1231 N LYS A 82 16.512 -5.261 1.764 1.00 0.00 N ATOM 1232 CA LYS A 82 17.148 -5.404 3.069 1.00 0.00 C ATOM 1233 C LYS A 82 16.465 -6.492 3.890 1.00 0.00 C ATOM 1234 O LYS A 82 17.011 -6.970 4.884 1.00 0.00 O ATOM 1235 CB LYS A 82 17.105 -4.076 3.829 1.00 0.00 C ATOM 1236 CG LYS A 82 17.431 -2.867 2.967 1.00 0.00 C ATOM 1237 CD LYS A 82 18.862 -2.399 3.178 1.00 0.00 C ATOM 1238 CE LYS A 82 19.624 -2.329 1.866 1.00 0.00 C ATOM 1239 NZ LYS A 82 21.067 -2.025 2.077 1.00 0.00 N ATOM 0 H LYS A 82 15.865 -4.475 1.694 1.00 0.00 H new ATOM 0 HA LYS A 82 18.187 -5.691 2.909 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.112 -3.946 4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.810 -4.120 4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.280 -3.117 1.917 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.743 -2.055 3.203 1.00 0.00 H new ATOM 0 HD2 LYS A 82 18.859 -1.417 3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 82 19.372 -3.080 3.860 1.00 0.00 H new ATOM 0 HE2 LYS A 82 19.526 -3.278 1.338 1.00 0.00 H new ATOM 0 HE3 LYS A 82 19.181 -1.563 1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 21.552 -1.986 1.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 21.162 -1.108 2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 21.496 -2.769 2.663 1.00 0.00 H new ATOM 1253 N GLU A 83 15.264 -6.876 3.468 1.00 0.00 N ATOM 1254 CA GLU A 83 14.502 -7.906 4.163 1.00 0.00 C ATOM 1255 C GLU A 83 15.004 -9.298 3.787 1.00 0.00 C ATOM 1256 O GLU A 83 15.257 -10.133 4.655 1.00 0.00 O ATOM 1257 CB GLU A 83 13.008 -7.764 3.839 1.00 0.00 C ATOM 1258 CG GLU A 83 12.282 -9.087 3.630 1.00 0.00 C ATOM 1259 CD GLU A 83 10.823 -8.903 3.256 1.00 0.00 C ATOM 1260 OE1 GLU A 83 10.431 -7.762 2.932 1.00 0.00 O ATOM 1261 OE2 GLU A 83 10.073 -9.901 3.287 1.00 0.00 O ATOM 0 H GLU A 83 14.798 -6.489 2.648 1.00 0.00 H new ATOM 0 HA GLU A 83 14.642 -7.777 5.236 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.523 -7.221 4.650 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.899 -7.158 2.940 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.785 -9.653 2.846 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.347 -9.680 4.542 1.00 0.00 H new ATOM 1268 N ALA A 84 15.149 -9.538 2.489 1.00 0.00 N ATOM 1269 CA ALA A 84 15.620 -10.828 1.996 1.00 0.00 C ATOM 1270 C ALA A 84 17.095 -11.038 2.322 1.00 0.00 C ATOM 1271 O ALA A 84 17.627 -12.134 2.152 1.00 0.00 O ATOM 1272 CB ALA A 84 15.390 -10.939 0.496 1.00 0.00 C ATOM 0 H ALA A 84 14.947 -8.856 1.758 1.00 0.00 H new ATOM 0 HA ALA A 84 15.049 -11.608 2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.747 -11.907 0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.325 -10.845 0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 84 15.933 -10.144 -0.015 1.00 0.00 H new ATOM 1278 N ALA A 85 17.751 -9.978 2.785 1.00 0.00 N ATOM 1279 CA ALA A 85 19.166 -10.046 3.131 1.00 0.00 C ATOM 1280 C ALA A 85 19.400 -10.991 4.304 1.00 0.00 C ATOM 1281 O ALA A 85 20.147 -11.964 4.191 1.00 0.00 O ATOM 1282 CB ALA A 85 19.699 -8.658 3.451 1.00 0.00 C ATOM 0 H ALA A 85 17.325 -9.062 2.929 1.00 0.00 H new ATOM 0 HA ALA A 85 19.707 -10.439 2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 85 20.756 -8.724 3.707 1.00 0.00 H new ATOM 0 HB2 ALA A 85 19.576 -8.012 2.582 1.00 0.00 H new ATOM 0 HB3 ALA A 85 19.147 -8.242 4.293 1.00 0.00 H new ATOM 1288 N GLN A 86 18.756 -10.700 5.430 1.00 0.00 N ATOM 1289 CA GLN A 86 18.892 -11.525 6.626 1.00 0.00 C ATOM 1290 C GLN A 86 17.784 -12.570 6.695 1.00 0.00 C ATOM 1291 O GLN A 86 16.641 -12.302 6.325 1.00 0.00 O ATOM 1292 CB GLN A 86 18.863 -10.649 7.880 1.00 0.00 C ATOM 1293 CG GLN A 86 20.245 -10.254 8.376 1.00 0.00 C ATOM 1294 CD GLN A 86 20.695 -8.910 7.839 1.00 0.00 C ATOM 1295 OE1 GLN A 86 20.505 -7.876 8.482 1.00 0.00 O ATOM 1296 NE2 GLN A 86 21.292 -8.916 6.654 1.00 0.00 N ATOM 0 H GLN A 86 18.134 -9.899 5.540 1.00 0.00 H new ATOM 0 HA GLN A 86 19.850 -12.042 6.574 1.00 0.00 H new ATOM 0 HB2 GLN A 86 18.289 -9.746 7.670 1.00 0.00 H new ATOM 0 HB3 GLN A 86 18.339 -11.182 8.674 1.00 0.00 H new ATOM 0 HG2 GLN A 86 20.241 -10.223 9.466 1.00 0.00 H new ATOM 0 HG3 GLN A 86 20.965 -11.018 8.082 1.00 0.00 H new ATOM 0 HE21 GLN A 86 21.429 -9.796 6.156 1.00 0.00 H new ATOM 0 HE22 GLN A 86 21.614 -8.041 6.241 1.00 0.00 H new ATOM 1305 N LYS A 87 18.132 -13.763 7.169 1.00 0.00 N ATOM 1306 CA LYS A 87 17.166 -14.850 7.284 1.00 0.00 C ATOM 1307 C LYS A 87 16.467 -14.818 8.638 1.00 0.00 C ATOM 1308 O LYS A 87 15.535 -15.585 8.884 1.00 0.00 O ATOM 1309 CB LYS A 87 17.861 -16.200 7.087 1.00 0.00 C ATOM 1310 CG LYS A 87 17.857 -16.679 5.643 1.00 0.00 C ATOM 1311 CD LYS A 87 19.262 -16.995 5.156 1.00 0.00 C ATOM 1312 CE LYS A 87 19.519 -18.493 5.135 1.00 0.00 C ATOM 1313 NZ LYS A 87 19.277 -19.119 6.465 1.00 0.00 N ATOM 0 H LYS A 87 19.074 -14.001 7.479 1.00 0.00 H new ATOM 0 HA LYS A 87 16.414 -14.718 6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 87 18.892 -16.123 7.433 1.00 0.00 H new ATOM 0 HB3 LYS A 87 17.370 -16.947 7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 87 17.232 -17.568 5.555 1.00 0.00 H new ATOM 0 HG3 LYS A 87 17.414 -15.914 5.006 1.00 0.00 H new ATOM 0 HD2 LYS A 87 19.402 -16.586 4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 87 19.991 -16.508 5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 87 18.874 -18.961 4.391 1.00 0.00 H new ATOM 0 HE3 LYS A 87 20.548 -18.680 4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 19.623 -20.100 6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 19.782 -18.582 7.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 18.258 -19.113 6.671 1.00 0.00 H new ATOM 1327 N ALA A 88 16.921 -13.927 9.513 1.00 0.00 N ATOM 1328 CA ALA A 88 16.335 -13.792 10.840 1.00 0.00 C ATOM 1329 C ALA A 88 15.156 -12.826 10.820 1.00 0.00 C ATOM 1330 O ALA A 88 15.338 -11.608 10.821 1.00 0.00 O ATOM 1331 CB ALA A 88 17.385 -13.331 11.839 1.00 0.00 C ATOM 0 H ALA A 88 17.693 -13.288 9.326 1.00 0.00 H new ATOM 0 HA ALA A 88 15.965 -14.770 11.149 1.00 0.00 H new ATOM 0 HB1 ALA A 88 16.931 -13.235 12.825 1.00 0.00 H new ATOM 0 HB2 ALA A 88 18.193 -14.061 11.881 1.00 0.00 H new ATOM 0 HB3 ALA A 88 17.784 -12.366 11.528 1.00 0.00 H new ATOM 1337 N VAL A 89 13.947 -13.377 10.797 1.00 0.00 N ATOM 1338 CA VAL A 89 12.736 -12.567 10.773 1.00 0.00 C ATOM 1339 C VAL A 89 12.070 -12.539 12.146 1.00 0.00 C ATOM 1340 O VAL A 89 12.533 -13.190 13.084 1.00 0.00 O ATOM 1341 CB VAL A 89 11.723 -13.086 9.732 1.00 0.00 C ATOM 1342 CG1 VAL A 89 11.718 -12.191 8.502 1.00 0.00 C ATOM 1343 CG2 VAL A 89 12.023 -14.528 9.349 1.00 0.00 C ATOM 0 H VAL A 89 13.780 -14.383 10.794 1.00 0.00 H new ATOM 0 HA VAL A 89 13.039 -11.558 10.494 1.00 0.00 H new ATOM 0 HB VAL A 89 10.730 -13.060 10.182 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.998 -12.572 7.778 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.441 -11.177 8.791 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.712 -12.182 8.055 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.294 -14.868 8.614 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.024 -14.590 8.923 1.00 0.00 H new ATOM 0 HG23 VAL A 89 11.966 -15.159 10.236 1.00 0.00 H new ATOM 1353 N ASN A 90 10.984 -11.780 12.258 1.00 0.00 N ATOM 1354 CA ASN A 90 10.254 -11.669 13.515 1.00 0.00 C ATOM 1355 C ASN A 90 9.098 -12.661 13.563 1.00 0.00 C ATOM 1356 O ASN A 90 8.352 -12.807 12.594 1.00 0.00 O ATOM 1357 CB ASN A 90 9.725 -10.245 13.700 1.00 0.00 C ATOM 1358 CG ASN A 90 10.725 -9.193 13.264 1.00 0.00 C ATOM 1359 OD1 ASN A 90 10.800 -8.951 11.960 1.00 0.00 O flip ATOM 1360 ND2 ASN A 90 11.421 -8.602 14.090 1.00 0.00 N flip ATOM 0 H ASN A 90 10.590 -11.233 11.493 1.00 0.00 H new ATOM 0 HA ASN A 90 10.944 -11.902 14.326 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.805 -10.126 13.128 1.00 0.00 H new ATOM 0 HB3 ASN A 90 9.472 -10.088 14.749 1.00 0.00 H new ATOM 0 HD21 ASN A 90 11.330 -8.820 15.082 1.00 0.00 H new ATOM 0 HD22 ASN A 90 12.088 -7.895 13.782 1.00 0.00 H new ATOM 1367 N SER A 91 8.952 -13.338 14.697 1.00 0.00 N ATOM 1368 CA SER A 91 7.886 -14.317 14.873 1.00 0.00 C ATOM 1369 C SER A 91 6.531 -13.628 14.995 1.00 0.00 C ATOM 1370 O SER A 91 6.291 -12.869 15.933 1.00 0.00 O ATOM 1371 CB SER A 91 8.152 -15.172 16.114 1.00 0.00 C ATOM 1372 OG SER A 91 8.477 -16.503 15.755 1.00 0.00 O ATOM 0 H SER A 91 9.559 -13.226 15.509 1.00 0.00 H new ATOM 0 HA SER A 91 7.867 -14.961 13.994 1.00 0.00 H new ATOM 0 HB2 SER A 91 8.969 -14.738 16.691 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.272 -15.170 16.757 1.00 0.00 H new ATOM 0 HG SER A 91 8.644 -17.029 16.565 1.00 0.00 H new ATOM 1378 N ALA A 92 5.650 -13.895 14.035 1.00 0.00 N ATOM 1379 CA ALA A 92 4.319 -13.299 14.030 1.00 0.00 C ATOM 1380 C ALA A 92 3.403 -13.993 15.033 1.00 0.00 C ATOM 1381 O ALA A 92 3.336 -15.221 15.083 1.00 0.00 O ATOM 1382 CB ALA A 92 3.721 -13.360 12.633 1.00 0.00 C ATOM 0 H ALA A 92 5.835 -14.520 13.251 1.00 0.00 H new ATOM 0 HA ALA A 92 4.413 -12.255 14.328 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.727 -12.912 12.643 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.359 -12.812 11.940 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.647 -14.400 12.314 1.00 0.00 H new ATOM 1388 N THR A 93 2.698 -13.195 15.831 1.00 0.00 N ATOM 1389 CA THR A 93 1.784 -13.729 16.834 1.00 0.00 C ATOM 1390 C THR A 93 0.353 -13.274 16.561 1.00 0.00 C ATOM 1391 O THR A 93 -0.441 -13.097 17.486 1.00 0.00 O ATOM 1392 CB THR A 93 2.215 -13.285 18.234 1.00 0.00 C ATOM 1393 OG1 THR A 93 3.491 -12.668 18.191 1.00 0.00 O ATOM 1394 CG2 THR A 93 2.286 -14.422 19.228 1.00 0.00 C ATOM 0 H THR A 93 2.743 -12.176 15.802 1.00 0.00 H new ATOM 0 HA THR A 93 1.817 -14.817 16.779 1.00 0.00 H new ATOM 0 HB THR A 93 1.448 -12.585 18.566 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.750 -12.389 19.094 1.00 0.00 H new ATOM 0 HG21 THR A 93 2.597 -14.037 20.199 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.304 -14.887 19.320 1.00 0.00 H new ATOM 0 HG23 THR A 93 3.007 -15.163 18.883 1.00 0.00 H new ATOM 1402 N GLY A 94 0.033 -13.087 15.285 1.00 0.00 N ATOM 1403 CA GLY A 94 -1.299 -12.650 14.908 1.00 0.00 C ATOM 1404 C GLY A 94 -2.201 -13.803 14.515 1.00 0.00 C ATOM 1405 O GLY A 94 -2.438 -14.038 13.331 1.00 0.00 O ATOM 0 H GLY A 94 0.673 -13.230 14.504 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.749 -12.109 15.740 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.226 -11.951 14.075 1.00 0.00 H new ATOM 1409 N VAL A 95 -2.707 -14.522 15.512 1.00 0.00 N ATOM 1410 CA VAL A 95 -3.594 -15.654 15.266 1.00 0.00 C ATOM 1411 C VAL A 95 -5.054 -15.205 15.146 1.00 0.00 C ATOM 1412 O VAL A 95 -5.731 -15.552 14.178 1.00 0.00 O ATOM 1413 CB VAL A 95 -3.473 -16.724 16.371 1.00 0.00 C ATOM 1414 CG1 VAL A 95 -4.381 -17.909 16.074 1.00 0.00 C ATOM 1415 CG2 VAL A 95 -2.028 -17.176 16.519 1.00 0.00 C ATOM 0 H VAL A 95 -2.518 -14.341 16.498 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.281 -16.095 14.319 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.792 -16.281 17.315 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.280 -18.652 16.865 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.416 -17.571 16.023 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.098 -18.354 15.120 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.961 -17.931 17.303 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.681 -17.600 15.577 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.405 -16.322 16.784 1.00 0.00 H new ATOM 1425 N PRO A 96 -5.570 -14.423 16.122 1.00 0.00 N ATOM 1426 CA PRO A 96 -6.957 -13.943 16.086 1.00 0.00 C ATOM 1427 C PRO A 96 -7.201 -12.976 14.931 1.00 0.00 C ATOM 1428 O PRO A 96 -8.309 -12.894 14.401 1.00 0.00 O ATOM 1429 CB PRO A 96 -7.130 -13.228 17.428 1.00 0.00 C ATOM 1430 CG PRO A 96 -5.749 -12.854 17.843 1.00 0.00 C ATOM 1431 CD PRO A 96 -4.855 -13.943 17.322 1.00 0.00 C ATOM 0 HA PRO A 96 -7.665 -14.758 15.934 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -7.765 -12.348 17.328 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -7.601 -13.879 18.165 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.466 -11.885 17.431 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -5.675 -12.773 18.927 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.863 -13.565 17.075 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.720 -14.738 18.055 1.00 0.00 H new ATOM 1439 N THR A 97 -6.157 -12.249 14.545 1.00 0.00 N ATOM 1440 CA THR A 97 -6.254 -11.288 13.453 1.00 0.00 C ATOM 1441 C THR A 97 -5.540 -11.804 12.208 1.00 0.00 C ATOM 1442 O THR A 97 -4.312 -11.788 12.133 1.00 0.00 O ATOM 1443 CB THR A 97 -5.658 -9.944 13.875 1.00 0.00 C ATOM 1444 OG1 THR A 97 -4.615 -10.132 14.814 1.00 0.00 O ATOM 1445 CG2 THR A 97 -6.672 -9.007 14.492 1.00 0.00 C ATOM 0 H THR A 97 -5.233 -12.308 14.973 1.00 0.00 H new ATOM 0 HA THR A 97 -7.309 -11.152 13.215 1.00 0.00 H new ATOM 0 HB THR A 97 -5.284 -9.491 12.956 1.00 0.00 H new ATOM 0 HG1 THR A 97 -4.245 -9.262 15.071 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.183 -8.073 14.769 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.464 -8.803 13.772 1.00 0.00 H new ATOM 0 HG23 THR A 97 -7.101 -9.469 15.381 1.00 0.00 H new ATOM 1453 N VAL A 98 -6.320 -12.260 11.232 1.00 0.00 N ATOM 1454 CA VAL A 98 -5.764 -12.780 9.989 1.00 0.00 C ATOM 1455 C VAL A 98 -6.155 -11.901 8.805 1.00 0.00 C ATOM 1456 O VAL A 98 -5.240 -11.401 8.118 1.00 0.00 O ATOM 1457 CB VAL A 98 -6.235 -14.221 9.721 1.00 0.00 C ATOM 1458 CG1 VAL A 98 -5.404 -14.859 8.618 1.00 0.00 C ATOM 1459 CG2 VAL A 98 -6.170 -15.052 10.995 1.00 0.00 C ATOM 1460 OXT VAL A 98 -7.361 -11.853 8.483 1.00 0.00 O ATOM 0 H VAL A 98 -7.339 -12.279 11.279 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.680 -12.776 10.101 1.00 0.00 H new ATOM 0 HB VAL A 98 -7.273 -14.187 9.390 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.752 -15.877 8.443 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.508 -14.278 7.702 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.356 -14.880 8.918 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.507 -16.067 10.785 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.143 -15.079 11.360 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.813 -14.606 11.754 1.00 0.00 H new TER 1470 VAL A 98 ATOM 1471 N VAL B 1 14.495 -1.443 9.309 1.00 0.00 N ATOM 1472 CA VAL B 1 14.967 -0.361 8.405 1.00 0.00 C ATOM 1473 C VAL B 1 13.817 0.191 7.569 1.00 0.00 C ATOM 1474 O VAL B 1 13.450 -0.383 6.544 1.00 0.00 O ATOM 1475 CB VAL B 1 16.079 -0.860 7.463 1.00 0.00 C ATOM 1476 CG1 VAL B 1 16.753 0.309 6.761 1.00 0.00 C ATOM 1477 CG2 VAL B 1 17.097 -1.688 8.232 1.00 0.00 C ATOM 0 H1 VAL B 1 15.185 -1.581 10.075 1.00 0.00 H new ATOM 0 H2 VAL B 1 13.574 -1.179 9.715 1.00 0.00 H new ATOM 0 H3 VAL B 1 14.395 -2.327 8.770 1.00 0.00 H new ATOM 0 HA VAL B 1 15.368 0.430 9.038 1.00 0.00 H new ATOM 0 HB VAL B 1 15.626 -1.496 6.702 1.00 0.00 H new ATOM 0 HG11 VAL B 1 17.535 -0.065 6.100 1.00 0.00 H new ATOM 0 HG12 VAL B 1 16.015 0.856 6.175 1.00 0.00 H new ATOM 0 HG13 VAL B 1 17.193 0.975 7.504 1.00 0.00 H new ATOM 0 HG21 VAL B 1 17.875 -2.032 7.551 1.00 0.00 H new ATOM 0 HG22 VAL B 1 17.545 -1.077 9.016 1.00 0.00 H new ATOM 0 HG23 VAL B 1 16.601 -2.549 8.681 1.00 0.00 H new ATOM 1489 N VAL B 2 13.252 1.308 8.015 1.00 0.00 N ATOM 1490 CA VAL B 2 12.141 1.938 7.313 1.00 0.00 C ATOM 1491 C VAL B 2 12.643 2.963 6.300 1.00 0.00 C ATOM 1492 O VAL B 2 12.771 4.148 6.611 1.00 0.00 O ATOM 1493 CB VAL B 2 11.173 2.630 8.293 1.00 0.00 C ATOM 1494 CG1 VAL B 2 9.848 2.932 7.609 1.00 0.00 C ATOM 1495 CG2 VAL B 2 10.961 1.771 9.531 1.00 0.00 C ATOM 0 H VAL B 2 13.546 1.796 8.861 1.00 0.00 H new ATOM 0 HA VAL B 2 11.607 1.145 6.790 1.00 0.00 H new ATOM 0 HB VAL B 2 11.616 3.575 8.608 1.00 0.00 H new ATOM 0 HG11 VAL B 2 9.177 3.420 8.315 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.020 3.590 6.757 1.00 0.00 H new ATOM 0 HG13 VAL B 2 9.397 2.002 7.263 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.275 2.276 10.211 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.540 0.809 9.239 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.916 1.612 10.031 1.00 0.00 H new ATOM 1505 N LYS B 3 12.926 2.498 5.086 1.00 0.00 N ATOM 1506 CA LYS B 3 13.413 3.372 4.026 1.00 0.00 C ATOM 1507 C LYS B 3 12.250 4.011 3.273 1.00 0.00 C ATOM 1508 O LYS B 3 12.160 3.918 2.049 1.00 0.00 O ATOM 1509 CB LYS B 3 14.297 2.584 3.055 1.00 0.00 C ATOM 1510 CG LYS B 3 15.398 3.419 2.421 1.00 0.00 C ATOM 1511 CD LYS B 3 16.525 2.548 1.892 1.00 0.00 C ATOM 1512 CE LYS B 3 17.327 3.265 0.819 1.00 0.00 C ATOM 1513 NZ LYS B 3 18.608 3.806 1.350 1.00 0.00 N ATOM 0 H LYS B 3 12.826 1.520 4.813 1.00 0.00 H new ATOM 0 HA LYS B 3 14.005 4.165 4.483 1.00 0.00 H new ATOM 0 HB2 LYS B 3 14.748 1.746 3.586 1.00 0.00 H new ATOM 0 HB3 LYS B 3 13.672 2.163 2.267 1.00 0.00 H new ATOM 0 HG2 LYS B 3 14.982 4.012 1.606 1.00 0.00 H new ATOM 0 HG3 LYS B 3 15.793 4.120 3.156 1.00 0.00 H new ATOM 0 HD2 LYS B 3 17.184 2.266 2.713 1.00 0.00 H new ATOM 0 HD3 LYS B 3 16.112 1.626 1.484 1.00 0.00 H new ATOM 0 HE2 LYS B 3 17.536 2.576 0.001 1.00 0.00 H new ATOM 0 HE3 LYS B 3 16.733 4.080 0.406 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 19.125 4.287 0.586 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 18.409 4.483 2.114 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 19.187 3.026 1.721 1.00 0.00 H new ATOM 1527 N SER B 4 11.360 4.661 4.017 1.00 0.00 N ATOM 1528 CA SER B 4 10.197 5.312 3.428 1.00 0.00 C ATOM 1529 C SER B 4 10.544 6.715 2.940 1.00 0.00 C ATOM 1530 O SER B 4 11.172 7.495 3.656 1.00 0.00 O ATOM 1531 CB SER B 4 9.060 5.384 4.447 1.00 0.00 C ATOM 1532 OG SER B 4 9.563 5.503 5.767 1.00 0.00 O ATOM 0 H SER B 4 11.423 4.750 5.031 1.00 0.00 H new ATOM 0 HA SER B 4 9.876 4.719 2.572 1.00 0.00 H new ATOM 0 HB2 SER B 4 8.419 6.236 4.221 1.00 0.00 H new ATOM 0 HB3 SER B 4 8.441 4.490 4.370 1.00 0.00 H new ATOM 0 HG SER B 4 8.815 5.549 6.399 1.00 0.00 H new ATOM 1538 N ASN B 5 10.127 7.031 1.717 1.00 0.00 N ATOM 1539 CA ASN B 5 10.382 8.343 1.135 1.00 0.00 C ATOM 1540 C ASN B 5 9.112 9.187 1.131 1.00 0.00 C ATOM 1541 O ASN B 5 9.128 10.354 1.521 1.00 0.00 O ATOM 1542 CB ASN B 5 10.917 8.198 -0.291 1.00 0.00 C ATOM 1543 CG ASN B 5 12.386 7.824 -0.323 1.00 0.00 C ATOM 1544 OD1 ASN B 5 12.752 6.738 -0.773 1.00 0.00 O ATOM 1545 ND2 ASN B 5 13.236 8.725 0.155 1.00 0.00 N ATOM 0 H ASN B 5 9.610 6.395 1.110 1.00 0.00 H new ATOM 0 HA ASN B 5 11.132 8.846 1.745 1.00 0.00 H new ATOM 0 HB2 ASN B 5 10.340 7.437 -0.817 1.00 0.00 H new ATOM 0 HB3 ASN B 5 10.772 9.136 -0.827 1.00 0.00 H new ATOM 0 HD21 ASN B 5 14.237 8.530 0.159 1.00 0.00 H new ATOM 0 HD22 ASN B 5 12.888 9.612 0.518 1.00 0.00 H new ATOM 1552 N LEU B 6 8.012 8.584 0.690 1.00 0.00 N ATOM 1553 CA LEU B 6 6.728 9.272 0.646 1.00 0.00 C ATOM 1554 C LEU B 6 6.186 9.488 2.056 1.00 0.00 C ATOM 1555 O LEU B 6 6.377 10.551 2.647 1.00 0.00 O ATOM 1556 CB LEU B 6 5.726 8.473 -0.192 1.00 0.00 C ATOM 1557 CG LEU B 6 4.933 9.286 -1.222 1.00 0.00 C ATOM 1558 CD1 LEU B 6 5.862 10.149 -2.063 1.00 0.00 C ATOM 1559 CD2 LEU B 6 4.118 8.360 -2.113 1.00 0.00 C ATOM 0 H LEU B 6 7.985 7.620 0.358 1.00 0.00 H new ATOM 0 HA LEU B 6 6.875 10.247 0.181 1.00 0.00 H new ATOM 0 HB2 LEU B 6 6.264 7.683 -0.715 1.00 0.00 H new ATOM 0 HB3 LEU B 6 5.021 7.986 0.482 1.00 0.00 H new ATOM 0 HG LEU B 6 4.251 9.945 -0.685 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.276 10.716 -2.786 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.404 10.838 -1.415 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.572 9.512 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.560 8.952 -2.839 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.787 7.678 -2.638 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.422 7.786 -1.501 1.00 0.00 H new ATOM 1571 N ASN B 7 5.532 8.466 2.603 1.00 0.00 N ATOM 1572 CA ASN B 7 4.990 8.545 3.953 1.00 0.00 C ATOM 1573 C ASN B 7 6.101 8.405 4.989 1.00 0.00 C ATOM 1574 O ASN B 7 6.946 7.515 4.881 1.00 0.00 O ATOM 1575 CB ASN B 7 3.950 7.449 4.178 1.00 0.00 C ATOM 1576 CG ASN B 7 2.787 7.923 5.024 1.00 0.00 C ATOM 1577 OD1 ASN B 7 2.918 7.782 6.338 1.00 0.00 O flip ATOM 1578 ND2 ASN B 7 1.783 8.411 4.504 1.00 0.00 N flip ATOM 0 H ASN B 7 5.366 7.577 2.132 1.00 0.00 H new ATOM 0 HA ASN B 7 4.516 9.520 4.066 1.00 0.00 H new ATOM 0 HB2 ASN B 7 3.577 7.102 3.214 1.00 0.00 H new ATOM 0 HB3 ASN B 7 4.424 6.595 4.662 1.00 0.00 H new ATOM 0 HD21 ASN B 7 1.726 8.500 3.489 1.00 0.00 H new ATOM 0 HD22 ASN B 7 1.008 8.726 5.088 1.00 0.00 H new ATOM 1585 N PRO B 8 6.110 9.265 6.021 1.00 0.00 N ATOM 1586 CA PRO B 8 7.125 9.215 7.071 1.00 0.00 C ATOM 1587 C PRO B 8 6.835 8.133 8.105 1.00 0.00 C ATOM 1588 O PRO B 8 7.657 7.862 8.981 1.00 0.00 O ATOM 1589 CB PRO B 8 7.029 10.601 7.705 1.00 0.00 C ATOM 1590 CG PRO B 8 5.601 10.994 7.527 1.00 0.00 C ATOM 1591 CD PRO B 8 5.143 10.360 6.239 1.00 0.00 C ATOM 0 HA PRO B 8 8.113 8.973 6.680 1.00 0.00 H new ATOM 0 HB2 PRO B 8 7.305 10.575 8.759 1.00 0.00 H new ATOM 0 HB3 PRO B 8 7.699 11.308 7.217 1.00 0.00 H new ATOM 0 HG2 PRO B 8 4.996 10.650 8.366 1.00 0.00 H new ATOM 0 HG3 PRO B 8 5.499 12.078 7.484 1.00 0.00 H new ATOM 0 HD2 PRO B 8 4.123 9.983 6.319 1.00 0.00 H new ATOM 0 HD3 PRO B 8 5.155 11.074 5.415 1.00 0.00 H new ATOM 1599 N ASN B 9 5.655 7.532 8.006 1.00 0.00 N ATOM 1600 CA ASN B 9 5.249 6.482 8.935 1.00 0.00 C ATOM 1601 C ASN B 9 4.884 5.203 8.189 1.00 0.00 C ATOM 1602 O ASN B 9 3.763 4.708 8.297 1.00 0.00 O ATOM 1603 CB ASN B 9 4.066 6.955 9.779 1.00 0.00 C ATOM 1604 CG ASN B 9 4.359 8.250 10.510 1.00 0.00 C ATOM 1605 OD1 ASN B 9 5.403 8.397 11.146 1.00 0.00 O ATOM 1606 ND2 ASN B 9 3.436 9.202 10.422 1.00 0.00 N ATOM 0 H ASN B 9 4.962 7.753 7.292 1.00 0.00 H new ATOM 0 HA ASN B 9 6.091 6.264 9.592 1.00 0.00 H new ATOM 0 HB2 ASN B 9 3.197 7.092 9.136 1.00 0.00 H new ATOM 0 HB3 ASN B 9 3.808 6.182 10.503 1.00 0.00 H new ATOM 0 HD21 ASN B 9 3.579 10.096 10.892 1.00 0.00 H new ATOM 0 HD22 ASN B 9 2.585 9.039 9.884 1.00 0.00 H new ATOM 1613 N ALA B 10 5.828 4.687 7.410 1.00 0.00 N ATOM 1614 CA ALA B 10 5.610 3.464 6.645 1.00 0.00 C ATOM 1615 C ALA B 10 5.287 2.284 7.561 1.00 0.00 C ATOM 1616 O ALA B 10 6.188 1.629 8.086 1.00 0.00 O ATOM 1617 CB ALA B 10 6.827 3.152 5.788 1.00 0.00 C ATOM 0 H ALA B 10 6.754 5.098 7.291 1.00 0.00 H new ATOM 0 HA ALA B 10 4.751 3.626 5.993 1.00 0.00 H new ATOM 0 HB1 ALA B 10 6.649 2.237 5.223 1.00 0.00 H new ATOM 0 HB2 ALA B 10 7.006 3.976 5.097 1.00 0.00 H new ATOM 0 HB3 ALA B 10 7.699 3.019 6.429 1.00 0.00 H new ATOM 1623 N LYS B 11 3.997 2.010 7.739 1.00 0.00 N ATOM 1624 CA LYS B 11 3.557 0.894 8.574 1.00 0.00 C ATOM 1625 C LYS B 11 2.637 -0.032 7.789 1.00 0.00 C ATOM 1626 O LYS B 11 1.702 0.424 7.139 1.00 0.00 O ATOM 1627 CB LYS B 11 2.836 1.408 9.822 1.00 0.00 C ATOM 1628 CG LYS B 11 3.445 2.673 10.400 1.00 0.00 C ATOM 1629 CD LYS B 11 4.137 2.406 11.726 1.00 0.00 C ATOM 1630 CE LYS B 11 3.271 2.824 12.903 1.00 0.00 C ATOM 1631 NZ LYS B 11 3.215 4.305 13.055 1.00 0.00 N ATOM 0 H LYS B 11 3.238 2.545 7.317 1.00 0.00 H new ATOM 0 HA LYS B 11 4.439 0.334 8.883 1.00 0.00 H new ATOM 0 HB2 LYS B 11 1.791 1.598 9.575 1.00 0.00 H new ATOM 0 HB3 LYS B 11 2.847 0.629 10.584 1.00 0.00 H new ATOM 0 HG2 LYS B 11 4.162 3.088 9.692 1.00 0.00 H new ATOM 0 HG3 LYS B 11 2.665 3.422 10.540 1.00 0.00 H new ATOM 0 HD2 LYS B 11 4.374 1.345 11.806 1.00 0.00 H new ATOM 0 HD3 LYS B 11 5.083 2.947 11.759 1.00 0.00 H new ATOM 0 HE2 LYS B 11 2.262 2.435 12.767 1.00 0.00 H new ATOM 0 HE3 LYS B 11 3.663 2.380 13.818 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 2.918 4.544 14.023 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 4.156 4.709 12.872 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 2.532 4.698 12.377 1.00 0.00 H new ATOM 1645 N GLU B 12 2.910 -1.334 7.861 1.00 0.00 N ATOM 1646 CA GLU B 12 2.134 -2.337 7.132 1.00 0.00 C ATOM 1647 C GLU B 12 0.626 -2.137 7.297 1.00 0.00 C ATOM 1648 O GLU B 12 0.172 -1.400 8.174 1.00 0.00 O ATOM 1649 CB GLU B 12 2.520 -3.740 7.607 1.00 0.00 C ATOM 1650 CG GLU B 12 2.203 -4.835 6.601 1.00 0.00 C ATOM 1651 CD GLU B 12 2.878 -6.151 6.938 1.00 0.00 C ATOM 1652 OE1 GLU B 12 2.654 -6.665 8.054 1.00 0.00 O ATOM 1653 OE2 GLU B 12 3.627 -6.669 6.083 1.00 0.00 O ATOM 0 H GLU B 12 3.669 -1.721 8.422 1.00 0.00 H new ATOM 0 HA GLU B 12 2.368 -2.221 6.074 1.00 0.00 H new ATOM 0 HB2 GLU B 12 3.587 -3.759 7.827 1.00 0.00 H new ATOM 0 HB3 GLU B 12 1.999 -3.954 8.540 1.00 0.00 H new ATOM 0 HG2 GLU B 12 1.124 -4.984 6.560 1.00 0.00 H new ATOM 0 HG3 GLU B 12 2.518 -4.513 5.608 1.00 0.00 H new ATOM 1660 N PHE B 13 -0.143 -2.842 6.469 1.00 0.00 N ATOM 1661 CA PHE B 13 -1.601 -2.776 6.513 1.00 0.00 C ATOM 1662 C PHE B 13 -2.130 -3.786 7.522 1.00 0.00 C ATOM 1663 O PHE B 13 -2.473 -4.914 7.169 1.00 0.00 O ATOM 1664 CB PHE B 13 -2.175 -3.069 5.118 1.00 0.00 C ATOM 1665 CG PHE B 13 -3.541 -2.493 4.850 1.00 0.00 C ATOM 1666 CD1 PHE B 13 -4.233 -1.786 5.825 1.00 0.00 C ATOM 1667 CD2 PHE B 13 -4.136 -2.665 3.607 1.00 0.00 C ATOM 1668 CE1 PHE B 13 -5.485 -1.260 5.561 1.00 0.00 C ATOM 1669 CE2 PHE B 13 -5.385 -2.139 3.339 1.00 0.00 C ATOM 1670 CZ PHE B 13 -6.057 -1.434 4.315 1.00 0.00 C ATOM 0 H PHE B 13 0.224 -3.470 5.754 1.00 0.00 H new ATOM 0 HA PHE B 13 -1.910 -1.776 6.819 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -1.483 -2.683 4.370 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.221 -4.149 4.982 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.789 -1.645 6.799 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.615 -3.218 2.839 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.015 -0.714 6.328 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.834 -2.280 2.367 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.031 -1.017 4.106 1.00 0.00 H new ATOM 1680 N VAL B 14 -2.143 -3.388 8.789 1.00 0.00 N ATOM 1681 CA VAL B 14 -2.565 -4.281 9.868 1.00 0.00 C ATOM 1682 C VAL B 14 -3.823 -3.785 10.588 1.00 0.00 C ATOM 1683 O VAL B 14 -4.765 -4.555 10.778 1.00 0.00 O ATOM 1684 CB VAL B 14 -1.442 -4.484 10.906 1.00 0.00 C ATOM 1685 CG1 VAL B 14 -1.723 -5.708 11.764 1.00 0.00 C ATOM 1686 CG2 VAL B 14 -0.089 -4.606 10.219 1.00 0.00 C ATOM 0 H VAL B 14 -1.867 -2.455 9.097 1.00 0.00 H new ATOM 0 HA VAL B 14 -2.796 -5.232 9.388 1.00 0.00 H new ATOM 0 HB VAL B 14 -1.414 -3.610 11.556 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -0.920 -5.835 12.490 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -2.669 -5.575 12.288 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -1.781 -6.592 11.129 1.00 0.00 H new ATOM 0 HG21 VAL B 14 0.689 -4.749 10.969 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -0.101 -5.460 9.542 1.00 0.00 H new ATOM 0 HG23 VAL B 14 0.115 -3.697 9.653 1.00 0.00 H new ATOM 1696 N PRO B 15 -3.855 -2.507 11.030 1.00 0.00 N ATOM 1697 CA PRO B 15 -5.004 -1.957 11.756 1.00 0.00 C ATOM 1698 C PRO B 15 -6.339 -2.334 11.122 1.00 0.00 C ATOM 1699 O PRO B 15 -7.322 -2.578 11.823 1.00 0.00 O ATOM 1700 CB PRO B 15 -4.778 -0.450 11.670 1.00 0.00 C ATOM 1701 CG PRO B 15 -3.297 -0.302 11.623 1.00 0.00 C ATOM 1702 CD PRO B 15 -2.778 -1.504 10.877 1.00 0.00 C ATOM 0 HA PRO B 15 -5.063 -2.341 12.774 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -5.248 -0.027 10.782 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -5.202 0.066 12.532 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -3.014 0.622 11.118 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -2.878 -0.257 12.628 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -2.592 -1.274 9.828 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -1.837 -1.860 11.297 1.00 0.00 H new ATOM 1710 N GLY B 16 -6.370 -2.381 9.794 1.00 0.00 N ATOM 1711 CA GLY B 16 -7.592 -2.728 9.092 1.00 0.00 C ATOM 1712 C GLY B 16 -8.586 -1.585 9.060 1.00 0.00 C ATOM 1713 O GLY B 16 -9.488 -1.562 8.225 1.00 0.00 O ATOM 0 H GLY B 16 -5.571 -2.185 9.191 1.00 0.00 H new ATOM 0 HA2 GLY B 16 -7.350 -3.023 8.071 1.00 0.00 H new ATOM 0 HA3 GLY B 16 -8.051 -3.592 9.573 1.00 0.00 H new ATOM 1717 N VAL B 17 -8.419 -0.634 9.975 1.00 0.00 N ATOM 1718 CA VAL B 17 -9.298 0.526 10.048 1.00 0.00 C ATOM 1719 C VAL B 17 -8.679 1.716 9.325 1.00 0.00 C ATOM 1720 O VAL B 17 -7.660 1.576 8.648 1.00 0.00 O ATOM 1721 CB VAL B 17 -9.592 0.915 11.511 1.00 0.00 C ATOM 1722 CG1 VAL B 17 -10.343 -0.202 12.219 1.00 0.00 C ATOM 1723 CG2 VAL B 17 -8.303 1.248 12.247 1.00 0.00 C ATOM 0 H VAL B 17 -7.680 -0.646 10.678 1.00 0.00 H new ATOM 0 HA VAL B 17 -10.235 0.254 9.562 1.00 0.00 H new ATOM 0 HB VAL B 17 -10.222 1.804 11.510 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -10.542 0.090 13.250 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -11.287 -0.388 11.706 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -9.739 -1.110 12.209 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -8.532 1.520 13.277 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -7.645 0.379 12.239 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -7.807 2.084 11.753 1.00 0.00 H new ATOM 1733 N LYS B 18 -9.298 2.884 9.467 1.00 0.00 N ATOM 1734 CA LYS B 18 -8.801 4.095 8.826 1.00 0.00 C ATOM 1735 C LYS B 18 -7.390 4.422 9.304 1.00 0.00 C ATOM 1736 O LYS B 18 -7.208 5.114 10.305 1.00 0.00 O ATOM 1737 CB LYS B 18 -9.733 5.271 9.119 1.00 0.00 C ATOM 1738 CG LYS B 18 -10.903 5.377 8.154 1.00 0.00 C ATOM 1739 CD LYS B 18 -11.131 6.814 7.710 1.00 0.00 C ATOM 1740 CE LYS B 18 -12.608 7.110 7.516 1.00 0.00 C ATOM 1741 NZ LYS B 18 -13.386 6.905 8.770 1.00 0.00 N ATOM 0 H LYS B 18 -10.145 3.017 10.020 1.00 0.00 H new ATOM 0 HA LYS B 18 -8.772 3.921 7.750 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -10.118 5.174 10.134 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -9.158 6.197 9.083 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -10.714 4.751 7.282 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -11.805 4.995 8.631 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -10.717 7.495 8.453 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -10.597 6.997 6.778 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -12.730 8.139 7.177 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -13.007 6.466 6.732 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -13.898 7.778 9.007 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -14.067 6.130 8.634 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -12.737 6.663 9.546 1.00 0.00 H new ATOM 1755 N TYR B 19 -6.394 3.917 8.583 1.00 0.00 N ATOM 1756 CA TYR B 19 -5.000 4.154 8.934 1.00 0.00 C ATOM 1757 C TYR B 19 -4.546 5.527 8.454 1.00 0.00 C ATOM 1758 O TYR B 19 -4.754 5.891 7.296 1.00 0.00 O ATOM 1759 CB TYR B 19 -4.108 3.060 8.333 1.00 0.00 C ATOM 1760 CG TYR B 19 -2.922 2.673 9.197 1.00 0.00 C ATOM 1761 CD1 TYR B 19 -2.717 3.246 10.449 1.00 0.00 C ATOM 1762 CD2 TYR B 19 -2.005 1.725 8.756 1.00 0.00 C ATOM 1763 CE1 TYR B 19 -1.637 2.887 11.231 1.00 0.00 C ATOM 1764 CE2 TYR B 19 -0.922 1.361 9.534 1.00 0.00 C ATOM 1765 CZ TYR B 19 -0.743 1.946 10.769 1.00 0.00 C ATOM 1766 OH TYR B 19 0.334 1.585 11.546 1.00 0.00 O ATOM 0 H TYR B 19 -6.527 3.341 7.752 1.00 0.00 H new ATOM 0 HA TYR B 19 -4.911 4.125 10.020 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -4.715 2.173 8.151 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -3.741 3.399 7.364 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -3.415 3.984 10.815 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -2.141 1.265 7.788 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -1.494 3.342 12.200 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -0.220 0.622 9.176 1.00 0.00 H new ATOM 0 HH TYR B 19 0.577 0.655 11.357 1.00 0.00 H new ATOM 1776 N GLY B 20 -3.939 6.293 9.356 1.00 0.00 N ATOM 1777 CA GLY B 20 -3.479 7.625 9.011 1.00 0.00 C ATOM 1778 C GLY B 20 -4.516 8.688 9.309 1.00 0.00 C ATOM 1779 O GLY B 20 -4.439 9.804 8.793 1.00 0.00 O ATOM 0 H GLY B 20 -3.758 6.014 10.320 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -2.566 7.846 9.564 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -3.225 7.656 7.952 1.00 0.00 H new ATOM 1783 N ASN B 21 -5.495 8.340 10.139 1.00 0.00 N ATOM 1784 CA ASN B 21 -6.557 9.270 10.507 1.00 0.00 C ATOM 1785 C ASN B 21 -6.142 10.124 11.701 1.00 0.00 C ATOM 1786 O ASN B 21 -6.854 10.199 12.703 1.00 0.00 O ATOM 1787 CB ASN B 21 -7.843 8.504 10.831 1.00 0.00 C ATOM 1788 CG ASN B 21 -9.058 9.409 10.883 1.00 0.00 C ATOM 1789 OD1 ASN B 21 -9.257 10.251 10.007 1.00 0.00 O ATOM 1790 ND2 ASN B 21 -9.879 9.241 11.913 1.00 0.00 N ATOM 0 H ASN B 21 -5.575 7.419 10.570 1.00 0.00 H new ATOM 0 HA ASN B 21 -6.740 9.930 9.659 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -8.001 7.731 10.079 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -7.729 7.998 11.790 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -10.713 9.822 12.001 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -9.676 8.531 12.617 1.00 0.00 H new ATOM 1797 N ILE B 22 -4.983 10.765 11.588 1.00 0.00 N ATOM 1798 CA ILE B 22 -4.469 11.614 12.657 1.00 0.00 C ATOM 1799 C ILE B 22 -4.165 13.018 12.146 1.00 0.00 C ATOM 1800 O ILE B 22 -3.086 13.208 11.544 1.00 0.00 O ATOM 1801 CB ILE B 22 -3.197 11.019 13.292 1.00 0.00 C ATOM 1802 CG1 ILE B 22 -2.343 10.324 12.228 1.00 0.00 C ATOM 1803 CG2 ILE B 22 -3.564 10.044 14.400 1.00 0.00 C ATOM 1804 CD1 ILE B 22 -0.874 10.247 12.586 1.00 0.00 C ATOM 1805 OXT ILE B 22 -5.009 13.916 12.347 1.00 0.00 O ATOM 0 H ILE B 22 -4.381 10.712 10.766 1.00 0.00 H new ATOM 0 HA ILE B 22 -5.248 11.669 13.417 1.00 0.00 H new ATOM 0 HB ILE B 22 -2.614 11.831 13.726 1.00 0.00 H new ATOM 0 HG12 ILE B 22 -2.724 9.315 12.071 1.00 0.00 H new ATOM 0 HG13 ILE B 22 -2.451 10.856 11.283 1.00 0.00 H new ATOM 0 HG21 ILE B 22 -2.655 9.632 14.838 1.00 0.00 H new ATOM 0 HG22 ILE B 22 -4.134 10.565 15.169 1.00 0.00 H new ATOM 0 HG23 ILE B 22 -4.167 9.235 13.988 1.00 0.00 H new ATOM 0 HD11 ILE B 22 -0.331 9.742 11.787 1.00 0.00 H new ATOM 0 HD12 ILE B 22 -0.478 11.254 12.715 1.00 0.00 H new ATOM 0 HD13 ILE B 22 -0.755 9.689 13.515 1.00 0.00 H new TER 1817 ILE B 22