USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 903 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 70 HIS : no HE2:sc= -7.58! C(o=-7.6!,f=-9.8!) USER MOD Set 1.2: A 74 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 46 THR OG1 : rot 91:sc= -0.556! USER MOD Set 2.2: A 60 CYS SG : rot -32:sc= -6.35! USER MOD Set 3.1: A 45 HIS : no HD1:sc= -0.114 X(o=-0.32,f=-0.42) USER MOD Set 3.2: A 49 CYS SG : rot 83:sc= -0.206 USER MOD Set 4.1: A 22 HIS :FLIP no HD1:sc= 0.8 F(o=-5.7!,f=-0.17) USER MOD Set 4.2: A 26 CYS SG : rot 170:sc= 0 USER MOD Set 4.3: A 36 CYS SG : rot 112:sc= -0.974 USER MOD Single : A 1 ALA N :NH3+ 141:sc= 0.0158 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 47:sc= 1.22 USER MOD Single : A 14 GLN :FLIP amide:sc= -1.72! C(o=-3.1!,f=-1.7!) USER MOD Single : A 18 GLN : amide:sc= -0.0087 K(o=-0.0087,f=-1.3) USER MOD Single : A 19 SER OG : rot 92:sc= -0.5! USER MOD Single : A 25 GLN : amide:sc= -0.057 X(o=-0.057,f=0) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 30 ASN : amide:sc= -0.0446 K(o=-0.045,f=-1.3!) USER MOD Single : A 31 CYS SG : rot 180:sc= -0.289 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -1.25 USER MOD Single : A 37 GLN : amide:sc= -1.29! X(o=-1.3!,f=-0.83) USER MOD Single : A 38 LYS NZ :NH3+ -173:sc= -0.216 (180deg=-0.297) USER MOD Single : A 39 MET CE :methyl 179:sc= -5.57! (180deg=-5.63!) USER MOD Single : A 40 LYS NZ :NH3+ 142:sc= 0.169 (180deg=-2.37) USER MOD Single : A 44 GLN : amide:sc= -0.68 K(o=-0.68,f=-4.2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= -0.013 (180deg=-0.237) USER MOD Single : A 52 LYS NZ :NH3+ -145:sc= -0.556 (180deg=-1.19) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0.151 K(o=0.15,f=-0.64) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.116) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.14) USER MOD Single : A 77 ASN : amide:sc= 0.92 K(o=0.92,f=-0.16) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 90:sc= -1.86! USER MOD Single : A 84 CYS SG : rot -172:sc= -0.747 USER MOD Single : A 86 ASN : amide:sc= -1.51! C(o=-1.5!,f=-4.7!) USER MOD Single : A 88 LYS NZ :NH3+ -165:sc= -2.08! (180deg=-3.14!) USER MOD Single : A 89 GLN : amide:sc= -1.79! C(o=-1.8!,f=-6.4!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 LEU N :NH3+ -131:sc= -0.775 (180deg=-4.58!) USER MOD Single : B 3 SER OG : rot 57:sc= 0.303 USER MOD Single : B 4 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : B 6 MET CE :methyl -140:sc= -0.102 (180deg=-0.516) USER MOD Single : B 10 MET CE :methyl -115:sc= -7.59! (180deg=-8.48!) USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= -0.557 X(o=-0.56,f=-0.25) USER MOD Single : B 21 THR OG1 : rot 34:sc= 0.86 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 20.663 -7.648 3.588 1.00 0.00 N ATOM 2 CA ALA A 1 19.970 -8.723 2.893 1.00 0.00 C ATOM 3 C ALA A 1 18.780 -8.149 2.155 1.00 0.00 C ATOM 4 O ALA A 1 18.029 -7.339 2.707 1.00 0.00 O ATOM 5 CB ALA A 1 19.542 -9.813 3.863 1.00 0.00 C ATOM 0 H1 ALA A 1 20.983 -7.986 4.518 1.00 0.00 H new ATOM 0 H2 ALA A 1 21.485 -7.346 3.027 1.00 0.00 H new ATOM 0 H3 ALA A 1 20.016 -6.844 3.716 1.00 0.00 H new ATOM 0 HA ALA A 1 20.648 -9.182 2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 1 19.027 -10.604 3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 1 20.421 -10.227 4.357 1.00 0.00 H new ATOM 0 HB3 ALA A 1 18.871 -9.391 4.611 1.00 0.00 H new ATOM 13 N THR A 2 18.609 -8.558 0.927 1.00 0.00 N ATOM 14 CA THR A 2 17.596 -8.005 0.071 1.00 0.00 C ATOM 15 C THR A 2 16.367 -8.903 -0.050 1.00 0.00 C ATOM 16 O THR A 2 15.259 -8.414 -0.146 1.00 0.00 O ATOM 17 CB THR A 2 18.179 -7.795 -1.327 1.00 0.00 C ATOM 18 OG1 THR A 2 19.430 -7.095 -1.212 1.00 0.00 O ATOM 19 CG2 THR A 2 17.242 -6.981 -2.215 1.00 0.00 C ATOM 0 H THR A 2 19.172 -9.288 0.490 1.00 0.00 H new ATOM 0 HA THR A 2 17.279 -7.063 0.519 1.00 0.00 H new ATOM 0 HB THR A 2 18.318 -8.775 -1.785 1.00 0.00 H new ATOM 0 HG1 THR A 2 19.811 -6.958 -2.104 1.00 0.00 H new ATOM 0 HG21 THR A 2 17.693 -6.854 -3.199 1.00 0.00 H new ATOM 0 HG22 THR A 2 16.291 -7.504 -2.316 1.00 0.00 H new ATOM 0 HG23 THR A 2 17.072 -6.003 -1.765 1.00 0.00 H new ATOM 27 N GLN A 3 16.525 -10.211 -0.013 1.00 0.00 N ATOM 28 CA GLN A 3 15.431 -11.027 -0.301 1.00 0.00 C ATOM 29 C GLN A 3 15.433 -12.158 0.657 1.00 0.00 C ATOM 30 O GLN A 3 14.895 -13.221 0.396 1.00 0.00 O ATOM 31 CB GLN A 3 15.419 -11.497 -1.784 1.00 0.00 C ATOM 32 CG GLN A 3 15.006 -10.410 -2.778 1.00 0.00 C ATOM 33 CD GLN A 3 15.084 -10.854 -4.228 1.00 0.00 C ATOM 34 OE1 GLN A 3 14.796 -12.095 -4.489 1.00 0.00 O flip ATOM 35 NE2 GLN A 3 15.362 -10.051 -5.126 1.00 0.00 N flip ATOM 0 H GLN A 3 17.394 -10.696 0.212 1.00 0.00 H new ATOM 0 HA GLN A 3 14.509 -10.458 -0.182 1.00 0.00 H new ATOM 0 HB2 GLN A 3 16.413 -11.858 -2.048 1.00 0.00 H new ATOM 0 HB3 GLN A 3 14.737 -12.342 -1.881 1.00 0.00 H new ATOM 0 HG2 GLN A 3 13.986 -10.095 -2.557 1.00 0.00 H new ATOM 0 HG3 GLN A 3 15.646 -9.539 -2.638 1.00 0.00 H new ATOM 0 HE21 GLN A 3 15.584 -9.083 -4.894 1.00 0.00 H new ATOM 0 HE22 GLN A 3 15.369 -10.357 -6.099 1.00 0.00 H new ATOM 44 N SER A 4 15.989 -11.923 1.814 1.00 0.00 N ATOM 45 CA SER A 4 16.035 -13.008 2.773 1.00 0.00 C ATOM 46 C SER A 4 15.213 -12.821 4.051 1.00 0.00 C ATOM 47 O SER A 4 14.558 -13.744 4.503 1.00 0.00 O ATOM 48 CB SER A 4 17.373 -13.629 2.982 1.00 0.00 C ATOM 49 OG SER A 4 17.979 -13.988 1.743 1.00 0.00 O ATOM 0 H SER A 4 16.400 -11.038 2.113 1.00 0.00 H new ATOM 0 HA SER A 4 15.476 -13.779 2.242 1.00 0.00 H new ATOM 0 HB2 SER A 4 18.019 -12.933 3.517 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.271 -14.515 3.609 1.00 0.00 H new ATOM 0 HG SER A 4 18.856 -14.391 1.912 1.00 0.00 H new ATOM 55 N PRO A 5 15.220 -11.738 4.829 1.00 0.00 N ATOM 56 CA PRO A 5 14.187 -11.607 5.866 1.00 0.00 C ATOM 57 C PRO A 5 13.045 -11.120 5.047 1.00 0.00 C ATOM 58 O PRO A 5 11.869 -11.378 5.281 1.00 0.00 O ATOM 59 CB PRO A 5 14.729 -10.519 6.810 1.00 0.00 C ATOM 60 CG PRO A 5 16.251 -10.613 6.643 1.00 0.00 C ATOM 61 CD PRO A 5 16.430 -10.975 5.165 1.00 0.00 C ATOM 0 HA PRO A 5 13.921 -12.481 6.461 1.00 0.00 H new ATOM 0 HB2 PRO A 5 14.357 -9.531 6.537 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.428 -10.699 7.842 1.00 0.00 H new ATOM 0 HG2 PRO A 5 16.740 -9.670 6.887 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.680 -11.373 7.297 1.00 0.00 H new ATOM 0 HD2 PRO A 5 16.523 -10.083 4.545 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.331 -11.568 5.007 1.00 0.00 H new ATOM 69 N GLY A 6 13.532 -10.436 4.017 1.00 0.00 N ATOM 70 CA GLY A 6 12.883 -9.769 2.981 1.00 0.00 C ATOM 71 C GLY A 6 12.333 -10.379 1.751 1.00 0.00 C ATOM 72 O GLY A 6 11.608 -9.601 1.221 1.00 0.00 O ATOM 0 H GLY A 6 14.543 -10.348 3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 6 12.047 -9.248 3.448 1.00 0.00 H new ATOM 0 HA3 GLY A 6 13.584 -9.006 2.641 1.00 0.00 H new ATOM 76 N ASP A 7 12.394 -11.621 1.164 1.00 0.00 N ATOM 77 CA ASP A 7 11.762 -11.702 -0.093 1.00 0.00 C ATOM 78 C ASP A 7 10.331 -11.828 0.327 1.00 0.00 C ATOM 79 O ASP A 7 9.491 -11.091 -0.067 1.00 0.00 O ATOM 80 CB ASP A 7 12.153 -12.968 -0.752 1.00 0.00 C ATOM 81 CG ASP A 7 11.627 -13.232 -2.126 1.00 0.00 C ATOM 82 OD1 ASP A 7 10.515 -13.778 -2.246 1.00 0.00 O ATOM 83 OD2 ASP A 7 12.341 -12.991 -3.106 1.00 0.00 O ATOM 0 H ASP A 7 12.835 -12.464 1.532 1.00 0.00 H new ATOM 0 HA ASP A 7 11.989 -10.879 -0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 7 13.242 -12.998 -0.799 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.839 -13.791 -0.110 1.00 0.00 H new ATOM 88 N SER A 8 10.113 -12.629 1.292 1.00 0.00 N ATOM 89 CA SER A 8 8.827 -12.744 1.666 1.00 0.00 C ATOM 90 C SER A 8 8.295 -11.486 2.491 1.00 0.00 C ATOM 91 O SER A 8 7.141 -11.134 2.328 1.00 0.00 O ATOM 92 CB SER A 8 8.457 -14.092 2.200 1.00 0.00 C ATOM 93 OG SER A 8 8.834 -15.108 1.269 1.00 0.00 O ATOM 0 H SER A 8 10.802 -13.183 1.802 1.00 0.00 H new ATOM 0 HA SER A 8 8.246 -12.702 0.745 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.952 -14.262 3.156 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.384 -14.137 2.385 1.00 0.00 H new ATOM 0 HG SER A 8 8.590 -15.987 1.627 1.00 0.00 H new ATOM 99 N ARG A 9 9.166 -10.755 3.328 1.00 0.00 N ATOM 100 CA ARG A 9 8.709 -9.547 3.946 1.00 0.00 C ATOM 101 C ARG A 9 8.377 -8.531 2.836 1.00 0.00 C ATOM 102 O ARG A 9 7.298 -7.960 2.793 1.00 0.00 O ATOM 103 CB ARG A 9 9.818 -8.925 4.784 1.00 0.00 C ATOM 104 CG ARG A 9 9.374 -7.869 5.718 1.00 0.00 C ATOM 105 CD ARG A 9 8.718 -8.400 7.011 1.00 0.00 C ATOM 106 NE ARG A 9 7.386 -9.044 6.838 1.00 0.00 N ATOM 107 CZ ARG A 9 6.540 -9.323 7.860 1.00 0.00 C ATOM 108 NH1 ARG A 9 6.893 -9.063 9.112 1.00 0.00 N ATOM 109 NH2 ARG A 9 5.357 -9.873 7.618 1.00 0.00 N ATOM 0 H ARG A 9 10.128 -11.018 3.542 1.00 0.00 H new ATOM 0 HA ARG A 9 7.846 -9.779 4.570 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.307 -9.714 5.356 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.568 -8.505 4.114 1.00 0.00 H new ATOM 0 HG2 ARG A 9 10.232 -7.253 5.986 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.664 -7.220 5.204 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.394 -9.121 7.470 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.613 -7.571 7.711 1.00 0.00 H new ATOM 0 HE ARG A 9 7.092 -9.290 5.893 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.805 -8.651 9.310 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.252 -9.275 9.877 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.081 -10.088 6.660 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.724 -10.081 8.390 1.00 0.00 H new ATOM 123 N ARG A 10 9.310 -8.386 1.904 1.00 0.00 N ATOM 124 CA ARG A 10 9.251 -7.365 0.888 1.00 0.00 C ATOM 125 C ARG A 10 8.282 -7.619 -0.166 1.00 0.00 C ATOM 126 O ARG A 10 7.626 -6.715 -0.579 1.00 0.00 O ATOM 127 CB ARG A 10 10.548 -7.186 0.285 1.00 0.00 C ATOM 128 CG ARG A 10 11.518 -6.628 1.232 1.00 0.00 C ATOM 129 CD ARG A 10 12.801 -6.740 0.616 1.00 0.00 C ATOM 130 NE ARG A 10 13.873 -6.162 1.437 1.00 0.00 N ATOM 131 CZ ARG A 10 14.923 -5.495 0.965 1.00 0.00 C ATOM 132 NH1 ARG A 10 15.035 -5.261 -0.337 1.00 0.00 N ATOM 133 NH2 ARG A 10 15.835 -5.035 1.800 1.00 0.00 N ATOM 0 H ARG A 10 10.134 -8.984 1.839 1.00 0.00 H new ATOM 0 HA ARG A 10 8.925 -6.464 1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 10 10.912 -8.145 -0.085 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.460 -6.524 -0.577 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.286 -5.587 1.456 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.493 -7.171 2.177 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.019 -7.791 0.427 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.780 -6.240 -0.352 1.00 0.00 H new ATOM 0 HE ARG A 10 13.807 -6.281 2.448 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.315 -5.593 -0.979 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.841 -4.749 -0.696 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.733 -5.191 2.803 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.642 -4.523 1.443 1.00 0.00 H new ATOM 147 N LEU A 11 8.196 -8.839 -0.629 1.00 0.00 N ATOM 148 CA LEU A 11 7.235 -9.173 -1.631 1.00 0.00 C ATOM 149 C LEU A 11 5.904 -9.151 -1.092 1.00 0.00 C ATOM 150 O LEU A 11 4.963 -8.912 -1.797 1.00 0.00 O ATOM 151 CB LEU A 11 7.518 -10.441 -2.375 1.00 0.00 C ATOM 152 CG LEU A 11 8.719 -10.324 -3.337 1.00 0.00 C ATOM 153 CD1 LEU A 11 10.046 -10.531 -2.734 1.00 0.00 C ATOM 154 CD2 LEU A 11 8.508 -10.962 -4.682 1.00 0.00 C ATOM 0 H LEU A 11 8.784 -9.615 -0.323 1.00 0.00 H new ATOM 0 HA LEU A 11 7.319 -8.393 -2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.710 -11.240 -1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.632 -10.728 -2.942 1.00 0.00 H new ATOM 0 HG LEU A 11 8.748 -9.259 -3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 11 10.814 -10.426 -3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.210 -9.790 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.098 -11.531 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.402 -10.831 -5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.309 -12.026 -4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.659 -10.492 -5.178 1.00 0.00 H new ATOM 166 N SER A 12 5.819 -9.329 0.176 1.00 0.00 N ATOM 167 CA SER A 12 4.531 -9.207 0.803 1.00 0.00 C ATOM 168 C SER A 12 4.078 -7.723 0.721 1.00 0.00 C ATOM 169 O SER A 12 2.950 -7.420 0.329 1.00 0.00 O ATOM 170 CB SER A 12 4.556 -9.720 2.244 1.00 0.00 C ATOM 171 OG SER A 12 3.310 -9.597 2.897 1.00 0.00 O ATOM 0 H SER A 12 6.597 -9.554 0.796 1.00 0.00 H new ATOM 0 HA SER A 12 3.808 -9.830 0.276 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.858 -10.767 2.245 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.310 -9.170 2.806 1.00 0.00 H new ATOM 0 HG SER A 12 2.599 -9.928 2.310 1.00 0.00 H new ATOM 177 N ILE A 13 5.009 -6.809 1.008 1.00 0.00 N ATOM 178 CA ILE A 13 4.692 -5.332 0.931 1.00 0.00 C ATOM 179 C ILE A 13 4.614 -4.898 -0.446 1.00 0.00 C ATOM 180 O ILE A 13 3.856 -4.089 -0.743 1.00 0.00 O ATOM 181 CB ILE A 13 5.649 -4.327 1.556 1.00 0.00 C ATOM 182 CG1 ILE A 13 6.630 -4.983 2.338 1.00 0.00 C ATOM 183 CG2 ILE A 13 4.868 -3.322 2.394 1.00 0.00 C ATOM 184 CD1 ILE A 13 7.629 -4.091 2.859 1.00 0.00 C ATOM 0 H ILE A 13 5.965 -7.028 1.289 1.00 0.00 H new ATOM 0 HA ILE A 13 3.768 -5.313 1.509 1.00 0.00 H new ATOM 0 HB ILE A 13 6.166 -3.792 0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.142 -5.495 3.167 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.116 -5.748 1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.558 -2.605 2.839 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.156 -2.794 1.759 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.331 -3.847 3.184 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.350 -4.657 3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.142 -3.598 2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.153 -3.341 3.490 1.00 0.00 H new ATOM 196 N GLN A 14 5.505 -5.355 -1.250 1.00 0.00 N ATOM 197 CA GLN A 14 5.478 -5.132 -2.673 1.00 0.00 C ATOM 198 C GLN A 14 4.079 -5.339 -3.203 1.00 0.00 C ATOM 199 O GLN A 14 3.610 -4.573 -3.945 1.00 0.00 O ATOM 200 CB GLN A 14 6.388 -6.110 -3.361 1.00 0.00 C ATOM 201 CG GLN A 14 6.685 -5.751 -4.746 1.00 0.00 C ATOM 202 CD GLN A 14 7.315 -6.879 -5.516 1.00 0.00 C ATOM 203 OE1 GLN A 14 8.604 -6.996 -5.451 1.00 0.00 O flip ATOM 204 NE2 GLN A 14 6.630 -7.659 -6.154 1.00 0.00 N flip ATOM 0 H GLN A 14 6.301 -5.912 -0.939 1.00 0.00 H new ATOM 0 HA GLN A 14 5.805 -4.111 -2.867 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.322 -6.180 -2.803 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.929 -7.099 -3.340 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.764 -5.447 -5.244 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.353 -4.890 -4.758 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.617 -7.540 -6.186 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.069 -8.431 -6.656 1.00 0.00 H new ATOM 213 N ARG A 15 3.454 -6.379 -2.768 1.00 0.00 N ATOM 214 CA ARG A 15 2.072 -6.701 -3.129 1.00 0.00 C ATOM 215 C ARG A 15 1.082 -5.823 -2.482 1.00 0.00 C ATOM 216 O ARG A 15 0.043 -5.530 -3.039 1.00 0.00 O ATOM 217 CB ARG A 15 1.803 -8.049 -2.734 1.00 0.00 C ATOM 218 CG ARG A 15 2.675 -8.971 -3.530 1.00 0.00 C ATOM 219 CD ARG A 15 2.252 -10.377 -3.340 1.00 0.00 C ATOM 220 NE ARG A 15 2.180 -10.750 -1.900 1.00 0.00 N ATOM 221 CZ ARG A 15 2.219 -11.997 -1.423 1.00 0.00 C ATOM 222 NH1 ARG A 15 2.523 -13.006 -2.228 1.00 0.00 N ATOM 223 NH2 ARG A 15 1.956 -12.230 -0.138 1.00 0.00 N ATOM 0 H ARG A 15 3.879 -7.058 -2.137 1.00 0.00 H new ATOM 0 HA ARG A 15 1.978 -6.559 -4.206 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.995 -8.175 -1.668 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.752 -8.288 -2.899 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.623 -8.709 -4.587 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.714 -8.853 -3.224 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.276 -10.527 -3.802 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.952 -11.038 -3.851 1.00 0.00 H new ATOM 0 HE ARG A 15 2.094 -9.992 -1.223 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.727 -12.830 -3.212 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.553 -13.958 -1.863 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.724 -11.455 0.484 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.986 -13.183 0.224 1.00 0.00 H new ATOM 237 N ALA A 16 1.428 -5.414 -1.335 1.00 0.00 N ATOM 238 CA ALA A 16 0.677 -4.558 -0.504 1.00 0.00 C ATOM 239 C ALA A 16 0.650 -3.237 -1.169 1.00 0.00 C ATOM 240 O ALA A 16 -0.372 -2.669 -1.377 1.00 0.00 O ATOM 241 CB ALA A 16 1.363 -4.553 0.858 1.00 0.00 C ATOM 0 H ALA A 16 2.315 -5.687 -0.912 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.356 -4.868 -0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.816 -3.901 1.539 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.380 -5.566 1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.384 -4.188 0.750 1.00 0.00 H new ATOM 247 N ILE A 17 1.797 -2.846 -1.592 1.00 0.00 N ATOM 248 CA ILE A 17 2.023 -1.695 -2.351 1.00 0.00 C ATOM 249 C ILE A 17 1.450 -1.811 -3.738 1.00 0.00 C ATOM 250 O ILE A 17 0.800 -0.973 -4.135 1.00 0.00 O ATOM 251 CB ILE A 17 3.459 -1.443 -2.532 1.00 0.00 C ATOM 252 CG1 ILE A 17 4.136 -1.128 -1.296 1.00 0.00 C ATOM 253 CG2 ILE A 17 3.605 -0.317 -3.428 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.558 -1.217 -1.435 1.00 0.00 C ATOM 0 H ILE A 17 2.653 -3.365 -1.398 1.00 0.00 H new ATOM 0 HA ILE A 17 1.542 -0.889 -1.797 1.00 0.00 H new ATOM 0 HB ILE A 17 3.909 -2.353 -2.929 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.864 -0.122 -0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.803 -1.811 -0.514 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.664 -0.108 -3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.140 -0.551 -4.386 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.121 0.558 -2.994 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.032 -0.973 -0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.832 -2.230 -1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.894 -0.515 -2.199 1.00 0.00 H new ATOM 266 N GLN A 18 1.784 -2.854 -4.488 1.00 0.00 N ATOM 267 CA GLN A 18 1.285 -3.024 -5.859 1.00 0.00 C ATOM 268 C GLN A 18 -0.180 -2.993 -5.830 1.00 0.00 C ATOM 269 O GLN A 18 -0.783 -2.452 -6.716 1.00 0.00 O ATOM 270 CB GLN A 18 1.717 -4.367 -6.484 1.00 0.00 C ATOM 271 CG GLN A 18 3.172 -4.479 -6.909 1.00 0.00 C ATOM 272 CD GLN A 18 3.524 -5.884 -7.373 1.00 0.00 C ATOM 273 OE1 GLN A 18 2.949 -6.862 -6.899 1.00 0.00 O ATOM 274 NE2 GLN A 18 4.449 -6.005 -8.295 1.00 0.00 N ATOM 0 H GLN A 18 2.402 -3.602 -4.173 1.00 0.00 H new ATOM 0 HA GLN A 18 1.703 -2.218 -6.462 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.509 -5.160 -5.766 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.091 -4.555 -7.356 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.370 -3.771 -7.714 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.816 -4.201 -6.075 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.908 -5.174 -8.669 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.709 -6.930 -8.638 1.00 0.00 H new ATOM 283 N SER A 19 -0.765 -3.563 -4.802 1.00 0.00 N ATOM 284 CA SER A 19 -2.163 -3.470 -4.701 1.00 0.00 C ATOM 285 C SER A 19 -2.556 -2.134 -4.352 1.00 0.00 C ATOM 286 O SER A 19 -3.423 -1.617 -4.956 1.00 0.00 O ATOM 287 CB SER A 19 -2.746 -4.444 -3.785 1.00 0.00 C ATOM 288 OG SER A 19 -2.450 -5.739 -4.237 1.00 0.00 O ATOM 0 H SER A 19 -0.294 -4.076 -4.057 1.00 0.00 H new ATOM 0 HA SER A 19 -2.560 -3.713 -5.687 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.350 -4.298 -2.780 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.825 -4.305 -3.726 1.00 0.00 H new ATOM 0 HG SER A 19 -1.619 -6.049 -3.821 1.00 0.00 H new ATOM 294 N LEU A 20 -1.880 -1.563 -3.424 1.00 0.00 N ATOM 295 CA LEU A 20 -2.137 -0.281 -2.990 1.00 0.00 C ATOM 296 C LEU A 20 -2.002 0.769 -4.091 1.00 0.00 C ATOM 297 O LEU A 20 -2.870 1.593 -4.274 1.00 0.00 O ATOM 298 CB LEU A 20 -1.247 0.058 -1.894 1.00 0.00 C ATOM 299 CG LEU A 20 -1.650 1.164 -1.250 1.00 0.00 C ATOM 300 CD1 LEU A 20 -2.556 0.761 -0.151 1.00 0.00 C ATOM 301 CD2 LEU A 20 -0.536 2.008 -0.948 1.00 0.00 C ATOM 0 H LEU A 20 -1.104 -2.014 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.176 -0.270 -2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.201 -0.775 -1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.238 0.208 -2.278 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.259 1.824 -1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.895 1.648 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.417 0.235 -0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.024 0.103 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.885 2.899 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.168 1.469 -0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.040 2.301 -1.873 1.00 0.00 H new ATOM 313 N VAL A 21 -0.912 0.714 -4.779 1.00 0.00 N ATOM 314 CA VAL A 21 -0.581 1.537 -5.862 1.00 0.00 C ATOM 315 C VAL A 21 -1.631 1.409 -6.926 1.00 0.00 C ATOM 316 O VAL A 21 -2.106 2.378 -7.467 1.00 0.00 O ATOM 317 CB VAL A 21 0.815 1.169 -6.469 1.00 0.00 C ATOM 318 CG1 VAL A 21 0.865 1.701 -7.832 1.00 0.00 C ATOM 319 CG2 VAL A 21 2.011 1.664 -5.598 1.00 0.00 C ATOM 0 H VAL A 21 -0.181 0.034 -4.571 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.530 2.563 -5.497 1.00 0.00 H new ATOM 0 HB VAL A 21 0.922 0.084 -6.487 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.828 1.460 -8.282 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.066 1.257 -8.426 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.738 2.783 -7.805 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.950 1.378 -6.073 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.968 2.749 -5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.952 1.211 -4.608 1.00 0.00 H new ATOM 329 N HIS A 22 -1.968 0.211 -7.191 1.00 0.00 N ATOM 330 CA HIS A 22 -2.973 -0.124 -8.171 1.00 0.00 C ATOM 331 C HIS A 22 -4.248 0.357 -7.713 1.00 0.00 C ATOM 332 O HIS A 22 -4.912 0.911 -8.409 1.00 0.00 O ATOM 333 CB HIS A 22 -3.020 -1.590 -8.331 1.00 0.00 C ATOM 334 CG HIS A 22 -3.979 -2.132 -9.365 1.00 0.00 C ATOM 335 ND1 HIS A 22 -5.256 -2.544 -9.256 1.00 0.00 N flip ATOM 336 CD2 HIS A 22 -3.630 -2.338 -10.671 1.00 0.00 C flip ATOM 337 CE1 HIS A 22 -5.646 -2.987 -10.489 1.00 0.00 C flip ATOM 338 NE2 HIS A 22 -4.642 -2.849 -11.324 1.00 0.00 N flip ATOM 0 H HIS A 22 -1.555 -0.601 -6.732 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.733 0.336 -9.130 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.018 -1.937 -8.583 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.276 -2.029 -7.367 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.664 -2.113 -11.099 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.619 -3.385 -10.736 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -4.650 -3.098 -12.313 1.00 0.00 H new ATOM 347 N ALA A 23 -4.524 0.164 -6.519 1.00 0.00 N ATOM 348 CA ALA A 23 -5.753 0.562 -5.924 1.00 0.00 C ATOM 349 C ALA A 23 -5.901 2.077 -6.005 1.00 0.00 C ATOM 350 O ALA A 23 -6.962 2.606 -6.269 1.00 0.00 O ATOM 351 CB ALA A 23 -5.707 0.058 -4.499 1.00 0.00 C ATOM 0 H ALA A 23 -3.887 -0.297 -5.869 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.621 0.148 -6.437 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.628 0.334 -3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.603 -1.027 -4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.857 0.504 -3.983 1.00 0.00 H new ATOM 357 N ALA A 24 -4.812 2.708 -5.861 1.00 0.00 N ATOM 358 CA ALA A 24 -4.699 4.111 -5.922 1.00 0.00 C ATOM 359 C ALA A 24 -4.925 4.593 -7.323 1.00 0.00 C ATOM 360 O ALA A 24 -5.690 5.533 -7.585 1.00 0.00 O ATOM 361 CB ALA A 24 -3.299 4.406 -5.569 1.00 0.00 C ATOM 0 H ALA A 24 -3.923 2.240 -5.688 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.425 4.589 -5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.136 5.483 -5.596 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.090 4.032 -4.567 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.634 3.921 -6.283 1.00 0.00 H new ATOM 367 N GLN A 25 -4.250 3.924 -8.198 1.00 0.00 N ATOM 368 CA GLN A 25 -4.130 4.294 -9.548 1.00 0.00 C ATOM 369 C GLN A 25 -5.266 3.745 -10.399 1.00 0.00 C ATOM 370 O GLN A 25 -5.613 4.311 -11.431 1.00 0.00 O ATOM 371 CB GLN A 25 -2.823 3.734 -10.056 1.00 0.00 C ATOM 372 CG GLN A 25 -2.414 4.250 -11.368 1.00 0.00 C ATOM 373 CD GLN A 25 -1.461 3.320 -12.142 1.00 0.00 C ATOM 374 OE1 GLN A 25 -1.515 3.287 -13.377 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.532 2.628 -11.475 1.00 0.00 N ATOM 0 H GLN A 25 -3.748 3.066 -7.969 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.167 5.381 -9.619 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.040 3.956 -9.331 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.905 2.649 -10.115 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.305 4.423 -11.972 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.929 5.216 -11.231 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.501 2.666 -10.456 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.146 2.062 -11.985 1.00 0.00 H new ATOM 384 N CYS A 26 -5.830 2.677 -9.969 1.00 0.00 N ATOM 385 CA CYS A 26 -6.872 2.043 -10.644 1.00 0.00 C ATOM 386 C CYS A 26 -8.094 2.785 -10.233 1.00 0.00 C ATOM 387 O CYS A 26 -8.299 2.988 -9.042 1.00 0.00 O ATOM 388 CB CYS A 26 -6.976 0.540 -10.202 1.00 0.00 C ATOM 389 SG CYS A 26 -8.199 -0.452 -11.091 1.00 0.00 S ATOM 0 H CYS A 26 -5.559 2.212 -9.102 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.727 2.047 -11.724 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -5.998 0.075 -10.325 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.212 0.508 -9.138 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.042 -1.707 -10.790 1.00 0.00 H new ATOM 395 N ARG A 27 -8.932 3.180 -11.127 1.00 0.00 N ATOM 396 CA ARG A 27 -10.044 3.926 -10.663 1.00 0.00 C ATOM 397 C ARG A 27 -11.229 3.476 -11.339 1.00 0.00 C ATOM 398 O ARG A 27 -11.646 3.933 -12.390 1.00 0.00 O ATOM 399 CB ARG A 27 -9.872 5.482 -10.677 1.00 0.00 C ATOM 400 CG ARG A 27 -9.484 6.133 -12.018 1.00 0.00 C ATOM 401 CD ARG A 27 -7.988 6.079 -12.296 1.00 0.00 C ATOM 402 NE ARG A 27 -7.637 6.683 -13.589 1.00 0.00 N ATOM 403 CZ ARG A 27 -6.427 6.589 -14.177 1.00 0.00 C ATOM 404 NH1 ARG A 27 -5.485 5.817 -13.653 1.00 0.00 N ATOM 405 NH2 ARG A 27 -6.175 7.241 -15.306 1.00 0.00 N ATOM 0 H ARG A 27 -8.876 3.011 -12.131 1.00 0.00 H new ATOM 0 HA ARG A 27 -10.136 3.722 -9.596 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.808 5.929 -10.342 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.112 5.745 -9.941 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.016 5.631 -12.826 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.811 7.173 -12.018 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.454 6.597 -11.499 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.655 5.041 -12.280 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.361 7.211 -14.077 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.673 5.290 -12.800 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.572 5.750 -14.103 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.899 7.818 -15.734 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.257 7.165 -15.745 1.00 0.00 H new ATOM 419 N ASN A 28 -11.663 2.473 -10.761 1.00 0.00 N ATOM 420 CA ASN A 28 -12.838 1.843 -11.000 1.00 0.00 C ATOM 421 C ASN A 28 -13.224 1.338 -9.629 1.00 0.00 C ATOM 422 O ASN A 28 -12.480 0.503 -9.096 1.00 0.00 O ATOM 423 CB ASN A 28 -12.483 0.718 -11.887 1.00 0.00 C ATOM 424 CG ASN A 28 -13.630 0.065 -12.530 1.00 0.00 C ATOM 425 OD1 ASN A 28 -14.748 0.079 -12.020 1.00 0.00 O ATOM 426 ND2 ASN A 28 -13.374 -0.571 -13.610 1.00 0.00 N ATOM 0 H ASN A 28 -11.133 2.021 -10.016 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.635 2.433 -11.451 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.807 1.081 -12.661 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.935 -0.026 -11.308 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -14.113 -1.093 -14.082 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -12.431 -0.556 -13.999 1.00 0.00 H new ATOM 433 N ALA A 29 -14.237 1.833 -8.994 1.00 0.00 N ATOM 434 CA ALA A 29 -14.551 1.313 -7.671 1.00 0.00 C ATOM 435 C ALA A 29 -15.136 -0.082 -7.775 1.00 0.00 C ATOM 436 O ALA A 29 -15.012 -0.888 -6.875 1.00 0.00 O ATOM 437 CB ALA A 29 -15.455 2.243 -6.900 1.00 0.00 C ATOM 0 H ALA A 29 -14.851 2.570 -9.340 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.621 1.248 -7.107 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.664 1.817 -5.919 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.965 3.209 -6.779 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.390 2.376 -7.444 1.00 0.00 H new ATOM 443 N ASN A 30 -15.707 -0.371 -8.916 1.00 0.00 N ATOM 444 CA ASN A 30 -16.281 -1.653 -9.193 1.00 0.00 C ATOM 445 C ASN A 30 -15.426 -2.420 -10.132 1.00 0.00 C ATOM 446 O ASN A 30 -15.929 -3.255 -10.919 1.00 0.00 O ATOM 447 CB ASN A 30 -17.687 -1.518 -9.719 1.00 0.00 C ATOM 448 CG ASN A 30 -18.654 -1.037 -8.643 1.00 0.00 C ATOM 449 OD1 ASN A 30 -18.451 -1.276 -7.450 1.00 0.00 O ATOM 450 ND2 ASN A 30 -19.714 -0.384 -9.033 1.00 0.00 N ATOM 0 H ASN A 30 -15.785 0.291 -9.688 1.00 0.00 H new ATOM 0 HA ASN A 30 -16.334 -2.209 -8.257 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.696 -0.818 -10.554 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -18.024 -2.480 -10.106 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -20.395 -0.060 -8.346 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -19.862 -0.197 -10.025 1.00 0.00 H new ATOM 457 N CYS A 31 -14.108 -2.152 -10.070 1.00 0.00 N ATOM 458 CA CYS A 31 -13.162 -3.069 -10.650 1.00 0.00 C ATOM 459 C CYS A 31 -13.459 -4.234 -9.928 1.00 0.00 C ATOM 460 O CYS A 31 -13.441 -4.147 -8.668 1.00 0.00 O ATOM 461 CB CYS A 31 -11.712 -2.775 -10.236 1.00 0.00 C ATOM 462 SG CYS A 31 -10.500 -3.952 -10.867 1.00 0.00 S ATOM 0 H CYS A 31 -13.701 -1.326 -9.632 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.231 -3.067 -11.738 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.444 -1.777 -10.582 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.654 -2.762 -9.148 1.00 0.00 H new ATOM 0 HG CYS A 31 -9.313 -3.611 -10.462 1.00 0.00 H new ATOM 468 N SER A 32 -13.736 -5.338 -10.524 1.00 0.00 N ATOM 469 CA SER A 32 -13.949 -6.226 -9.610 1.00 0.00 C ATOM 470 C SER A 32 -12.752 -7.068 -9.622 1.00 0.00 C ATOM 471 O SER A 32 -12.639 -8.079 -10.306 1.00 0.00 O ATOM 472 CB SER A 32 -15.161 -7.012 -10.062 1.00 0.00 C ATOM 473 OG SER A 32 -16.252 -6.117 -10.296 1.00 0.00 O ATOM 0 H SER A 32 -13.801 -5.572 -11.515 1.00 0.00 H new ATOM 0 HA SER A 32 -14.128 -5.825 -8.612 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.930 -7.566 -10.972 1.00 0.00 H new ATOM 0 HB3 SER A 32 -15.435 -7.746 -9.304 1.00 0.00 H new ATOM 0 HG SER A 32 -17.036 -6.626 -10.590 1.00 0.00 H new ATOM 479 N LEU A 33 -11.812 -6.540 -8.943 1.00 0.00 N ATOM 480 CA LEU A 33 -10.930 -7.044 -8.183 1.00 0.00 C ATOM 481 C LEU A 33 -11.297 -6.464 -6.824 1.00 0.00 C ATOM 482 O LEU A 33 -10.919 -5.360 -6.554 1.00 0.00 O ATOM 483 CB LEU A 33 -9.569 -6.706 -8.714 1.00 0.00 C ATOM 484 CG LEU A 33 -8.463 -7.127 -7.872 1.00 0.00 C ATOM 485 CD1 LEU A 33 -8.773 -8.361 -7.153 1.00 0.00 C ATOM 486 CD2 LEU A 33 -7.266 -7.291 -8.651 1.00 0.00 C ATOM 0 H LEU A 33 -11.695 -5.527 -8.975 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.899 -8.132 -8.117 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.454 -7.164 -9.696 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.508 -5.627 -8.857 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.298 -6.343 -7.133 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.922 -8.645 -6.534 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.646 -8.204 -6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.982 -9.156 -7.868 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.450 -7.607 -8.001 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.432 -8.047 -9.418 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.007 -6.344 -9.125 1.00 0.00 H new ATOM 498 N PRO A 34 -12.185 -7.042 -6.091 1.00 0.00 N ATOM 499 CA PRO A 34 -12.497 -6.607 -4.723 1.00 0.00 C ATOM 500 C PRO A 34 -11.348 -6.600 -3.816 1.00 0.00 C ATOM 501 O PRO A 34 -11.373 -5.915 -2.816 1.00 0.00 O ATOM 502 CB PRO A 34 -13.565 -7.535 -4.305 1.00 0.00 C ATOM 503 CG PRO A 34 -14.261 -7.712 -5.603 1.00 0.00 C ATOM 504 CD PRO A 34 -13.142 -7.965 -6.562 1.00 0.00 C ATOM 0 HA PRO A 34 -12.807 -5.563 -4.691 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -13.174 -8.472 -3.909 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.212 -7.110 -3.538 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.962 -8.547 -5.573 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -14.833 -6.825 -5.877 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -12.783 -8.993 -6.518 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.430 -7.772 -7.595 1.00 0.00 H new ATOM 512 N SER A 35 -10.337 -7.328 -4.123 1.00 0.00 N ATOM 513 CA SER A 35 -9.182 -7.122 -3.414 1.00 0.00 C ATOM 514 C SER A 35 -8.443 -5.811 -3.888 1.00 0.00 C ATOM 515 O SER A 35 -7.751 -5.156 -3.078 1.00 0.00 O ATOM 516 CB SER A 35 -8.379 -8.396 -3.231 1.00 0.00 C ATOM 517 OG SER A 35 -8.308 -9.145 -4.402 1.00 0.00 O ATOM 0 H SER A 35 -10.308 -8.048 -4.845 1.00 0.00 H new ATOM 0 HA SER A 35 -9.413 -6.885 -2.376 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.371 -8.144 -2.901 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.831 -8.998 -2.443 1.00 0.00 H new ATOM 0 HG SER A 35 -7.781 -9.955 -4.241 1.00 0.00 H new ATOM 523 N CYS A 36 -8.707 -5.331 -5.188 1.00 0.00 N ATOM 524 CA CYS A 36 -8.238 -4.028 -5.559 1.00 0.00 C ATOM 525 C CYS A 36 -9.034 -3.068 -4.742 1.00 0.00 C ATOM 526 O CYS A 36 -8.481 -2.209 -4.086 1.00 0.00 O ATOM 527 CB CYS A 36 -8.436 -3.610 -7.053 1.00 0.00 C ATOM 528 SG CYS A 36 -7.897 -1.929 -7.387 1.00 0.00 S ATOM 0 H CYS A 36 -9.216 -5.839 -5.911 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.160 -4.031 -5.397 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.883 -4.297 -7.693 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.489 -3.707 -7.315 1.00 0.00 H new ATOM 0 HG CYS A 36 -6.844 -1.954 -8.150 1.00 0.00 H new ATOM 534 N GLN A 37 -10.384 -3.291 -4.792 1.00 0.00 N ATOM 535 CA GLN A 37 -11.424 -2.531 -4.080 1.00 0.00 C ATOM 536 C GLN A 37 -11.050 -2.287 -2.754 1.00 0.00 C ATOM 537 O GLN A 37 -11.077 -1.195 -2.315 1.00 0.00 O ATOM 538 CB GLN A 37 -12.798 -3.208 -4.072 1.00 0.00 C ATOM 539 CG GLN A 37 -13.478 -3.399 -5.453 1.00 0.00 C ATOM 540 CD GLN A 37 -14.885 -3.949 -5.315 1.00 0.00 C ATOM 541 OE1 GLN A 37 -15.195 -4.686 -4.379 1.00 0.00 O ATOM 542 NE2 GLN A 37 -15.747 -3.570 -6.204 1.00 0.00 N ATOM 0 H GLN A 37 -10.778 -4.042 -5.359 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.515 -1.599 -4.638 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.694 -4.187 -3.603 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.465 -2.621 -3.440 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.511 -2.444 -5.978 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.880 -4.077 -6.062 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -15.457 -2.959 -6.967 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -16.716 -3.883 -6.141 1.00 0.00 H new ATOM 551 N LYS A 38 -10.698 -3.275 -2.145 1.00 0.00 N ATOM 552 CA LYS A 38 -10.344 -3.250 -0.859 1.00 0.00 C ATOM 553 C LYS A 38 -9.156 -2.347 -0.531 1.00 0.00 C ATOM 554 O LYS A 38 -9.205 -1.580 0.383 1.00 0.00 O ATOM 555 CB LYS A 38 -10.033 -4.566 -0.513 1.00 0.00 C ATOM 556 CG LYS A 38 -9.179 -4.627 0.629 1.00 0.00 C ATOM 557 CD LYS A 38 -9.576 -5.624 1.507 1.00 0.00 C ATOM 558 CE LYS A 38 -9.593 -6.959 0.888 1.00 0.00 C ATOM 559 NZ LYS A 38 -10.302 -7.910 1.745 1.00 0.00 N ATOM 0 H LYS A 38 -10.645 -4.202 -2.567 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.175 -2.831 -0.292 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.952 -5.115 -0.309 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.548 -5.058 -1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.153 -4.810 0.308 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.186 -3.665 1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.903 -5.635 2.364 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.571 -5.392 1.886 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.077 -6.908 -0.088 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.572 -7.302 0.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.204 -8.869 1.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.897 -7.883 2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.309 -7.655 1.788 1.00 0.00 H new ATOM 573 N MET A 39 -8.090 -2.530 -1.250 1.00 0.00 N ATOM 574 CA MET A 39 -6.846 -1.799 -1.006 1.00 0.00 C ATOM 575 C MET A 39 -7.055 -0.348 -1.225 1.00 0.00 C ATOM 576 O MET A 39 -6.551 0.514 -0.536 1.00 0.00 O ATOM 577 CB MET A 39 -5.803 -2.256 -1.978 1.00 0.00 C ATOM 578 CG MET A 39 -5.046 -3.435 -1.562 1.00 0.00 C ATOM 579 SD MET A 39 -3.521 -3.074 -0.663 1.00 0.00 S ATOM 580 CE MET A 39 -4.082 -1.972 0.588 1.00 0.00 C ATOM 0 H MET A 39 -8.040 -3.188 -2.028 1.00 0.00 H new ATOM 0 HA MET A 39 -6.532 -1.985 0.021 1.00 0.00 H new ATOM 0 HB2 MET A 39 -6.285 -2.470 -2.932 1.00 0.00 H new ATOM 0 HB3 MET A 39 -5.105 -1.437 -2.151 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.684 -4.056 -0.933 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.800 -4.023 -2.446 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.244 -1.686 1.224 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.506 -1.081 0.125 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.844 -2.465 1.192 1.00 0.00 H new ATOM 590 N LYS A 40 -7.751 -0.162 -2.229 1.00 0.00 N ATOM 591 CA LYS A 40 -8.253 1.049 -2.749 1.00 0.00 C ATOM 592 C LYS A 40 -9.046 1.697 -1.658 1.00 0.00 C ATOM 593 O LYS A 40 -8.770 2.746 -1.267 1.00 0.00 O ATOM 594 CB LYS A 40 -9.178 0.581 -3.765 1.00 0.00 C ATOM 595 CG LYS A 40 -9.237 1.262 -4.987 1.00 0.00 C ATOM 596 CD LYS A 40 -10.159 0.481 -5.880 1.00 0.00 C ATOM 597 CE LYS A 40 -9.884 0.730 -7.282 1.00 0.00 C ATOM 598 NZ LYS A 40 -10.392 2.026 -7.691 1.00 0.00 N ATOM 0 H LYS A 40 -8.038 -0.952 -2.807 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.499 1.744 -3.119 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.935 -0.460 -3.978 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.178 0.593 -3.332 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.606 2.278 -4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.245 1.342 -5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.053 -0.584 -5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.193 0.747 -5.659 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.809 0.685 -7.459 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.340 -0.051 -7.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.725 2.466 -8.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.316 1.906 -8.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.500 2.636 -6.856 1.00 0.00 H new ATOM 612 N ARG A 41 -9.954 0.907 -1.103 1.00 0.00 N ATOM 613 CA ARG A 41 -10.834 1.209 0.039 1.00 0.00 C ATOM 614 C ARG A 41 -10.075 1.337 1.249 1.00 0.00 C ATOM 615 O ARG A 41 -10.608 1.649 2.251 1.00 0.00 O ATOM 616 CB ARG A 41 -11.770 0.125 0.260 1.00 0.00 C ATOM 617 CG ARG A 41 -13.032 0.204 -0.551 1.00 0.00 C ATOM 618 CD ARG A 41 -13.958 -0.845 -0.084 1.00 0.00 C ATOM 619 NE ARG A 41 -15.175 -0.964 -0.895 1.00 0.00 N ATOM 620 CZ ARG A 41 -16.072 -1.961 -0.780 1.00 0.00 C ATOM 621 NH1 ARG A 41 -15.919 -2.883 0.160 1.00 0.00 N ATOM 622 NH2 ARG A 41 -17.118 -2.023 -1.593 1.00 0.00 N ATOM 0 H ARG A 41 -10.114 -0.035 -1.459 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.351 2.138 -0.199 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.271 -0.818 0.037 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.035 0.103 1.317 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.490 1.188 -0.444 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.810 0.069 -1.610 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.437 -1.803 -0.084 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.239 -0.635 0.948 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.353 -0.242 -1.593 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.122 -2.836 0.795 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.598 -3.639 0.248 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -17.248 -1.312 -2.312 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.793 -2.782 -1.499 1.00 0.00 H new ATOM 636 N VAL A 42 -8.866 0.933 1.195 1.00 0.00 N ATOM 637 CA VAL A 42 -8.002 1.096 2.229 1.00 0.00 C ATOM 638 C VAL A 42 -7.339 2.389 2.163 1.00 0.00 C ATOM 639 O VAL A 42 -7.299 3.072 3.149 1.00 0.00 O ATOM 640 CB VAL A 42 -7.145 -0.098 2.552 1.00 0.00 C ATOM 641 CG1 VAL A 42 -5.766 0.304 3.026 1.00 0.00 C ATOM 642 CG2 VAL A 42 -7.844 -0.685 3.633 1.00 0.00 C ATOM 0 H VAL A 42 -8.462 0.464 0.384 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.600 1.134 3.140 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.993 -0.744 1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.183 -0.590 3.248 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.267 0.879 2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.854 0.912 3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.315 -1.578 3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.907 0.028 4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.849 -0.958 3.311 1.00 0.00 H new ATOM 652 N VAL A 43 -6.868 2.745 0.995 1.00 0.00 N ATOM 653 CA VAL A 43 -6.484 4.055 0.692 1.00 0.00 C ATOM 654 C VAL A 43 -7.607 4.958 1.035 1.00 0.00 C ATOM 655 O VAL A 43 -7.471 5.862 1.823 1.00 0.00 O ATOM 656 CB VAL A 43 -6.156 4.166 -0.803 1.00 0.00 C ATOM 657 CG1 VAL A 43 -5.989 5.582 -1.155 1.00 0.00 C ATOM 658 CG2 VAL A 43 -4.919 3.294 -1.241 1.00 0.00 C ATOM 0 H VAL A 43 -6.747 2.093 0.220 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.597 4.331 1.262 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.995 3.752 -1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.756 5.668 -2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.912 6.121 -0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.175 6.009 -0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.745 3.421 -2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.035 3.613 -0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.120 2.244 -1.028 1.00 0.00 H new ATOM 668 N GLN A 44 -8.712 4.609 0.547 1.00 0.00 N ATOM 669 CA GLN A 44 -9.868 5.355 0.669 1.00 0.00 C ATOM 670 C GLN A 44 -10.451 5.284 2.093 1.00 0.00 C ATOM 671 O GLN A 44 -11.113 6.245 2.546 1.00 0.00 O ATOM 672 CB GLN A 44 -10.821 4.920 -0.422 1.00 0.00 C ATOM 673 CG GLN A 44 -10.213 5.176 -1.803 1.00 0.00 C ATOM 674 CD GLN A 44 -10.212 6.636 -2.227 1.00 0.00 C ATOM 675 OE1 GLN A 44 -10.143 7.550 -1.400 1.00 0.00 O ATOM 676 NE2 GLN A 44 -10.289 6.868 -3.511 1.00 0.00 N ATOM 0 H GLN A 44 -8.839 3.744 0.021 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.660 6.416 0.530 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.050 3.860 -0.311 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.762 5.461 -0.327 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.187 4.808 -1.809 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.764 4.596 -2.543 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.345 6.089 -4.168 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.293 7.828 -3.856 1.00 0.00 H new ATOM 685 N HIS A 45 -10.134 4.178 2.840 1.00 0.00 N ATOM 686 CA HIS A 45 -10.613 4.051 4.251 1.00 0.00 C ATOM 687 C HIS A 45 -9.891 5.059 4.972 1.00 0.00 C ATOM 688 O HIS A 45 -10.450 5.928 5.538 1.00 0.00 O ATOM 689 CB HIS A 45 -10.317 2.667 4.900 1.00 0.00 C ATOM 690 CG HIS A 45 -10.937 2.434 6.261 1.00 0.00 C ATOM 691 ND1 HIS A 45 -10.205 2.318 7.429 1.00 0.00 N ATOM 692 CD2 HIS A 45 -12.224 2.222 6.613 1.00 0.00 C ATOM 693 CE1 HIS A 45 -11.027 2.039 8.428 1.00 0.00 C ATOM 694 NE2 HIS A 45 -12.251 1.976 7.958 1.00 0.00 N ATOM 0 H HIS A 45 -9.573 3.395 2.504 1.00 0.00 H new ATOM 0 HA HIS A 45 -11.697 4.159 4.277 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -10.667 1.887 4.224 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -9.237 2.552 4.989 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -13.078 2.243 5.952 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.739 1.888 9.458 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -13.087 1.776 8.507 1.00 0.00 H new ATOM 703 N THR A 46 -8.630 4.942 4.817 1.00 0.00 N ATOM 704 CA THR A 46 -7.644 5.827 5.275 1.00 0.00 C ATOM 705 C THR A 46 -8.034 7.282 5.064 1.00 0.00 C ATOM 706 O THR A 46 -8.161 7.979 6.009 1.00 0.00 O ATOM 707 CB THR A 46 -6.320 5.411 4.554 1.00 0.00 C ATOM 708 OG1 THR A 46 -5.921 4.143 5.012 1.00 0.00 O ATOM 709 CG2 THR A 46 -5.173 6.349 4.634 1.00 0.00 C ATOM 0 H THR A 46 -8.228 4.148 4.319 1.00 0.00 H new ATOM 0 HA THR A 46 -7.512 5.758 6.355 1.00 0.00 H new ATOM 0 HB THR A 46 -6.584 5.416 3.497 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.312 3.450 4.439 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.324 5.933 4.091 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.453 7.305 4.192 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.898 6.499 5.678 1.00 0.00 H new ATOM 717 N LYS A 47 -8.389 7.694 3.895 1.00 0.00 N ATOM 718 CA LYS A 47 -8.542 9.107 3.666 1.00 0.00 C ATOM 719 C LYS A 47 -9.775 9.637 4.347 1.00 0.00 C ATOM 720 O LYS A 47 -9.767 10.757 4.847 1.00 0.00 O ATOM 721 CB LYS A 47 -8.667 9.371 2.248 1.00 0.00 C ATOM 722 CG LYS A 47 -7.617 8.684 1.357 1.00 0.00 C ATOM 723 CD LYS A 47 -7.646 9.184 -0.055 1.00 0.00 C ATOM 724 CE LYS A 47 -6.711 10.334 -0.175 1.00 0.00 C ATOM 725 NZ LYS A 47 -6.795 10.996 -1.496 1.00 0.00 N ATOM 0 H LYS A 47 -8.578 7.094 3.092 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.659 9.601 4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.658 9.056 1.922 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.607 10.448 2.089 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.625 8.849 1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.790 7.608 1.361 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.357 8.389 -0.743 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.657 9.489 -0.327 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.932 11.061 0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.691 9.988 -0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.125 11.790 -1.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.559 10.312 -2.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.761 11.352 -1.645 1.00 0.00 H new ATOM 739 N GLY A 48 -10.823 8.846 4.372 1.00 0.00 N ATOM 740 CA GLY A 48 -11.975 9.296 5.084 1.00 0.00 C ATOM 741 C GLY A 48 -11.797 9.064 6.566 1.00 0.00 C ATOM 742 O GLY A 48 -12.483 9.673 7.394 1.00 0.00 O ATOM 0 H GLY A 48 -10.895 7.931 3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.139 10.356 4.892 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.860 8.767 4.730 1.00 0.00 H new ATOM 746 N CYS A 49 -10.863 8.202 6.905 1.00 0.00 N ATOM 747 CA CYS A 49 -10.623 7.852 8.290 1.00 0.00 C ATOM 748 C CYS A 49 -9.483 8.627 8.882 1.00 0.00 C ATOM 749 O CYS A 49 -8.526 8.034 9.118 1.00 0.00 O ATOM 750 CB CYS A 49 -10.375 6.315 8.478 1.00 0.00 C ATOM 751 SG CYS A 49 -11.856 5.333 8.183 1.00 0.00 S ATOM 0 H CYS A 49 -10.254 7.728 6.238 1.00 0.00 H new ATOM 0 HA CYS A 49 -11.534 8.121 8.825 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -9.588 5.992 7.797 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -10.016 6.130 9.491 1.00 0.00 H new ATOM 0 HG CYS A 49 -11.993 5.127 6.907 1.00 0.00 H new ATOM 757 N LYS A 50 -9.630 9.935 9.242 1.00 0.00 N ATOM 758 CA LYS A 50 -8.440 10.811 9.719 1.00 0.00 C ATOM 759 C LYS A 50 -7.784 10.276 10.959 1.00 0.00 C ATOM 760 O LYS A 50 -6.600 10.618 11.363 1.00 0.00 O ATOM 761 CB LYS A 50 -8.821 12.206 9.957 1.00 0.00 C ATOM 762 CG LYS A 50 -9.381 12.955 8.746 1.00 0.00 C ATOM 763 CD LYS A 50 -8.598 12.706 7.460 1.00 0.00 C ATOM 764 CE LYS A 50 -7.212 13.300 7.514 1.00 0.00 C ATOM 765 NZ LYS A 50 -7.240 14.764 7.593 1.00 0.00 N ATOM 0 H LYS A 50 -10.524 10.426 9.224 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.727 10.773 8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.566 12.230 10.752 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.947 12.745 10.323 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.419 12.658 8.593 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.383 14.024 8.959 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.525 11.633 7.283 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.142 13.132 6.617 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.681 12.901 8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.653 12.996 6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.296 15.142 7.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.929 15.136 6.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.515 15.055 8.553 1.00 0.00 H new ATOM 779 N ARG A 51 -8.464 9.341 11.503 1.00 0.00 N ATOM 780 CA ARG A 51 -7.992 8.574 12.559 1.00 0.00 C ATOM 781 C ARG A 51 -6.759 7.742 12.110 1.00 0.00 C ATOM 782 O ARG A 51 -6.133 7.056 12.926 1.00 0.00 O ATOM 783 CB ARG A 51 -9.069 7.718 13.212 1.00 0.00 C ATOM 784 CG ARG A 51 -10.153 8.491 13.971 1.00 0.00 C ATOM 785 CD ARG A 51 -9.603 9.154 15.232 1.00 0.00 C ATOM 786 NE ARG A 51 -10.656 9.776 16.036 1.00 0.00 N ATOM 787 CZ ARG A 51 -10.843 9.544 17.346 1.00 0.00 C ATOM 788 NH1 ARG A 51 -10.164 8.576 17.959 1.00 0.00 N ATOM 789 NH2 ARG A 51 -11.749 10.240 18.019 1.00 0.00 N ATOM 0 H ARG A 51 -9.405 9.088 11.202 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.672 9.261 13.342 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.549 7.117 12.440 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.589 7.025 13.903 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.581 9.252 13.318 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.961 7.812 14.241 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.081 8.409 15.833 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.868 9.909 14.952 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.289 10.428 15.572 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.499 8.008 17.434 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.309 8.403 18.954 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.303 10.951 17.542 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.892 10.064 19.014 1.00 0.00 H new ATOM 803 N LYS A 52 -6.451 7.869 10.798 1.00 0.00 N ATOM 804 CA LYS A 52 -5.492 7.146 10.051 1.00 0.00 C ATOM 805 C LYS A 52 -4.246 6.936 10.830 1.00 0.00 C ATOM 806 O LYS A 52 -3.982 5.818 11.311 1.00 0.00 O ATOM 807 CB LYS A 52 -5.100 8.101 8.853 1.00 0.00 C ATOM 808 CG LYS A 52 -6.163 8.495 7.905 1.00 0.00 C ATOM 809 CD LYS A 52 -5.741 9.653 7.027 1.00 0.00 C ATOM 810 CE LYS A 52 -5.563 9.358 5.584 1.00 0.00 C ATOM 811 NZ LYS A 52 -5.485 10.607 4.798 1.00 0.00 N ATOM 0 H LYS A 52 -6.934 8.554 10.216 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.899 6.178 9.757 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.676 9.011 9.276 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.308 7.615 8.284 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.424 7.642 7.279 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.060 8.769 8.460 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.485 10.444 7.124 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.802 10.049 7.413 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.655 8.773 5.437 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.394 8.750 5.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.938 10.464 3.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.974 11.370 5.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.488 10.868 4.659 1.00 0.00 H new ATOM 825 N THR A 53 -3.481 7.945 10.999 1.00 0.00 N ATOM 826 CA THR A 53 -2.544 7.933 11.926 1.00 0.00 C ATOM 827 C THR A 53 -3.009 8.536 13.258 1.00 0.00 C ATOM 828 O THR A 53 -2.533 8.123 14.321 1.00 0.00 O ATOM 829 CB THR A 53 -1.189 8.372 11.400 1.00 0.00 C ATOM 830 OG1 THR A 53 -1.310 9.637 10.733 1.00 0.00 O ATOM 831 CG2 THR A 53 -0.720 7.310 10.405 1.00 0.00 C ATOM 0 H THR A 53 -3.532 8.805 10.453 1.00 0.00 H new ATOM 0 HA THR A 53 -2.361 6.894 12.199 1.00 0.00 H new ATOM 0 HB THR A 53 -0.477 8.481 12.218 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.432 9.915 10.398 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.254 7.592 10.004 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.640 6.348 10.911 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.439 7.232 9.590 1.00 0.00 H new ATOM 839 N ASN A 54 -4.026 9.503 13.201 1.00 0.00 N ATOM 840 CA ASN A 54 -4.355 10.309 14.395 1.00 0.00 C ATOM 841 C ASN A 54 -4.821 9.471 15.580 1.00 0.00 C ATOM 842 O ASN A 54 -4.487 9.768 16.727 1.00 0.00 O ATOM 843 CB ASN A 54 -5.370 11.391 14.063 1.00 0.00 C ATOM 844 CG ASN A 54 -5.682 12.340 15.219 1.00 0.00 C ATOM 845 OD1 ASN A 54 -4.845 12.605 16.078 1.00 0.00 O ATOM 846 ND2 ASN A 54 -6.876 12.872 15.237 1.00 0.00 N ATOM 0 H ASN A 54 -4.584 9.710 12.373 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.424 10.785 14.704 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.999 11.974 13.220 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.296 10.916 13.739 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.132 13.525 15.977 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.551 12.634 14.511 1.00 0.00 H new ATOM 853 N GLY A 55 -5.557 8.430 15.308 1.00 0.00 N ATOM 854 CA GLY A 55 -6.043 7.578 16.360 1.00 0.00 C ATOM 855 C GLY A 55 -5.338 6.244 16.398 1.00 0.00 C ATOM 856 O GLY A 55 -5.596 5.420 17.286 1.00 0.00 O ATOM 0 H GLY A 55 -5.834 8.150 14.367 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.914 8.081 17.319 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.113 7.416 16.227 1.00 0.00 H new ATOM 860 N GLY A 56 -4.418 6.028 15.471 1.00 0.00 N ATOM 861 CA GLY A 56 -3.778 4.772 15.386 1.00 0.00 C ATOM 862 C GLY A 56 -4.661 3.764 14.822 1.00 0.00 C ATOM 863 O GLY A 56 -4.857 2.714 15.415 1.00 0.00 O ATOM 0 H GLY A 56 -4.115 6.716 14.782 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.883 4.859 14.770 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.453 4.459 16.378 1.00 0.00 H new ATOM 867 N CYS A 57 -5.230 4.052 13.698 1.00 0.00 N ATOM 868 CA CYS A 57 -6.019 3.041 13.075 1.00 0.00 C ATOM 869 C CYS A 57 -5.117 2.483 12.030 1.00 0.00 C ATOM 870 O CYS A 57 -5.186 2.932 10.874 1.00 0.00 O ATOM 871 CB CYS A 57 -7.349 3.597 12.438 1.00 0.00 C ATOM 872 SG CYS A 57 -8.500 2.347 11.793 1.00 0.00 S ATOM 0 H CYS A 57 -5.169 4.944 13.207 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.359 2.299 13.797 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.870 4.189 13.190 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.085 4.274 11.626 1.00 0.00 H new ATOM 0 HG CYS A 57 -9.549 2.936 11.301 1.00 0.00 H new ATOM 878 N PRO A 58 -4.142 1.560 12.356 1.00 0.00 N ATOM 879 CA PRO A 58 -3.154 1.503 11.309 1.00 0.00 C ATOM 880 C PRO A 58 -3.402 0.528 10.159 1.00 0.00 C ATOM 881 O PRO A 58 -2.534 -0.294 9.837 1.00 0.00 O ATOM 882 CB PRO A 58 -2.255 0.558 12.160 1.00 0.00 C ATOM 883 CG PRO A 58 -3.303 -0.418 12.616 1.00 0.00 C ATOM 884 CD PRO A 58 -4.271 0.426 13.219 1.00 0.00 C ATOM 0 HA PRO A 58 -2.934 2.483 10.886 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.467 0.086 11.573 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.770 1.073 12.989 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.721 -0.983 11.783 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.901 -1.143 13.323 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.273 -0.003 13.204 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.039 0.658 14.258 1.00 0.00 H new ATOM 892 N ILE A 59 -4.150 0.958 9.322 1.00 0.00 N ATOM 893 CA ILE A 59 -4.278 0.517 8.085 1.00 0.00 C ATOM 894 C ILE A 59 -3.604 1.457 7.235 1.00 0.00 C ATOM 895 O ILE A 59 -2.774 1.127 6.570 1.00 0.00 O ATOM 896 CB ILE A 59 -5.700 0.150 7.918 1.00 0.00 C ATOM 897 CG1 ILE A 59 -6.125 -0.632 6.741 1.00 0.00 C ATOM 898 CG2 ILE A 59 -6.764 0.897 8.700 1.00 0.00 C ATOM 899 CD1 ILE A 59 -7.623 -0.868 6.751 1.00 0.00 C ATOM 0 H ILE A 59 -4.776 1.739 9.518 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.783 -0.410 7.794 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.591 -0.696 8.597 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.843 -0.104 5.830 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.603 -1.589 6.729 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.747 0.495 8.453 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.581 0.778 9.768 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.730 1.955 8.442 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.906 -1.447 5.872 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.899 -1.417 7.651 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.142 0.090 6.737 1.00 0.00 H new ATOM 911 N CYS A 60 -4.060 2.744 7.409 1.00 0.00 N ATOM 912 CA CYS A 60 -3.515 4.050 6.952 1.00 0.00 C ATOM 913 C CYS A 60 -2.153 4.244 7.404 1.00 0.00 C ATOM 914 O CYS A 60 -1.426 4.925 6.813 1.00 0.00 O ATOM 915 CB CYS A 60 -4.259 5.103 7.740 1.00 0.00 C ATOM 916 SG CYS A 60 -6.027 4.802 7.840 1.00 0.00 S ATOM 0 H CYS A 60 -4.920 2.895 7.936 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.593 4.095 5.866 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.848 5.149 8.749 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.089 6.077 7.281 1.00 0.00 H new ATOM 0 HG CYS A 60 -6.427 4.204 6.757 1.00 0.00 H new ATOM 922 N LYS A 61 -1.887 3.753 8.534 1.00 0.00 N ATOM 923 CA LYS A 61 -0.625 3.878 9.112 1.00 0.00 C ATOM 924 C LYS A 61 0.223 2.912 8.524 1.00 0.00 C ATOM 925 O LYS A 61 1.305 3.250 8.110 1.00 0.00 O ATOM 926 CB LYS A 61 -0.675 3.673 10.531 1.00 0.00 C ATOM 927 CG LYS A 61 0.611 3.942 11.197 1.00 0.00 C ATOM 928 CD LYS A 61 0.601 3.258 12.495 1.00 0.00 C ATOM 929 CE LYS A 61 -0.600 3.592 13.409 1.00 0.00 C ATOM 930 NZ LYS A 61 -0.377 3.061 14.775 1.00 0.00 N ATOM 0 H LYS A 61 -2.559 3.237 9.102 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.250 4.887 8.938 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.442 4.319 10.959 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.975 2.645 10.734 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.439 3.585 10.585 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.753 5.014 11.332 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.615 2.182 12.320 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.520 3.507 13.025 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.743 4.672 13.451 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.512 3.166 12.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.193 3.294 15.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.263 2.028 14.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.482 3.488 15.177 1.00 0.00 H new ATOM 944 N GLN A 62 -0.237 1.672 8.429 1.00 0.00 N ATOM 945 CA GLN A 62 0.613 0.787 7.777 1.00 0.00 C ATOM 946 C GLN A 62 0.575 0.945 6.280 1.00 0.00 C ATOM 947 O GLN A 62 1.418 0.485 5.626 1.00 0.00 O ATOM 948 CB GLN A 62 0.544 -0.587 8.308 1.00 0.00 C ATOM 949 CG GLN A 62 0.775 -0.565 9.841 1.00 0.00 C ATOM 950 CD GLN A 62 0.851 -1.885 10.590 1.00 0.00 C ATOM 951 OE1 GLN A 62 0.384 -1.939 11.728 1.00 0.00 O ATOM 952 NE2 GLN A 62 1.546 -2.896 10.119 1.00 0.00 N ATOM 0 H GLN A 62 -1.125 1.310 8.775 1.00 0.00 H new ATOM 0 HA GLN A 62 1.636 1.071 8.024 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.428 -1.026 8.083 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.296 -1.212 7.826 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.704 -0.026 10.027 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.028 0.022 10.287 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.934 -2.853 9.177 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.698 -3.723 10.696 1.00 0.00 H new ATOM 961 N LEU A 63 -0.440 1.598 5.811 1.00 0.00 N ATOM 962 CA LEU A 63 -0.596 2.112 4.477 1.00 0.00 C ATOM 963 C LEU A 63 0.301 3.292 4.231 1.00 0.00 C ATOM 964 O LEU A 63 0.887 3.323 3.273 1.00 0.00 O ATOM 965 CB LEU A 63 -2.029 2.448 4.223 1.00 0.00 C ATOM 966 CG LEU A 63 -2.352 3.418 3.178 1.00 0.00 C ATOM 967 CD1 LEU A 63 -1.772 3.016 1.913 1.00 0.00 C ATOM 968 CD2 LEU A 63 -3.743 3.404 3.011 1.00 0.00 C ATOM 0 H LEU A 63 -1.250 1.805 6.395 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.295 1.337 3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.548 1.520 3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.452 2.817 5.157 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.969 4.398 3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.023 3.750 1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.688 2.953 2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.167 2.042 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.024 4.118 2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.064 2.405 2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.225 3.679 3.949 1.00 0.00 H new ATOM 980 N ILE A 64 0.329 4.294 5.083 1.00 0.00 N ATOM 981 CA ILE A 64 1.348 5.360 4.999 1.00 0.00 C ATOM 982 C ILE A 64 2.664 4.722 4.976 1.00 0.00 C ATOM 983 O ILE A 64 3.464 5.056 4.189 1.00 0.00 O ATOM 984 CB ILE A 64 1.295 6.330 6.224 1.00 0.00 C ATOM 985 CG1 ILE A 64 0.183 7.358 6.118 1.00 0.00 C ATOM 986 CG2 ILE A 64 2.653 6.904 6.650 1.00 0.00 C ATOM 987 CD1 ILE A 64 0.158 8.406 7.208 1.00 0.00 C ATOM 0 H ILE A 64 -0.336 4.408 5.848 1.00 0.00 H new ATOM 0 HA ILE A 64 1.156 5.946 4.100 1.00 0.00 H new ATOM 0 HB ILE A 64 1.022 5.698 7.069 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.269 7.862 5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.773 6.835 6.120 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.516 7.565 7.506 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.323 6.089 6.924 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.086 7.467 5.823 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.674 9.089 7.037 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.036 7.921 8.176 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.094 8.964 7.197 1.00 0.00 H new ATOM 999 N ALA A 65 2.849 3.822 5.874 1.00 0.00 N ATOM 1000 CA ALA A 65 4.010 3.035 5.936 1.00 0.00 C ATOM 1001 C ALA A 65 4.238 2.413 4.581 1.00 0.00 C ATOM 1002 O ALA A 65 5.190 2.687 3.923 1.00 0.00 O ATOM 1003 CB ALA A 65 3.786 1.968 6.939 1.00 0.00 C ATOM 0 H ALA A 65 2.170 3.613 6.606 1.00 0.00 H new ATOM 0 HA ALA A 65 4.877 3.635 6.214 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.675 1.341 7.007 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.584 2.419 7.911 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.934 1.359 6.638 1.00 0.00 H new ATOM 1009 N LEU A 66 3.285 1.681 4.174 1.00 0.00 N ATOM 1010 CA LEU A 66 3.254 1.027 2.940 1.00 0.00 C ATOM 1011 C LEU A 66 3.499 1.978 1.709 1.00 0.00 C ATOM 1012 O LEU A 66 4.417 1.785 0.925 1.00 0.00 O ATOM 1013 CB LEU A 66 1.933 0.297 2.853 1.00 0.00 C ATOM 1014 CG LEU A 66 1.539 -0.118 1.506 1.00 0.00 C ATOM 1015 CD1 LEU A 66 2.391 -1.166 1.143 1.00 0.00 C ATOM 1016 CD2 LEU A 66 0.132 -0.574 1.346 1.00 0.00 C ATOM 0 H LEU A 66 2.449 1.512 4.734 1.00 0.00 H new ATOM 0 HA LEU A 66 4.085 0.324 2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.982 -0.587 3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.153 0.940 3.261 1.00 0.00 H new ATOM 0 HG LEU A 66 1.616 0.766 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.136 -1.512 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.423 -0.816 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.279 -1.988 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.043 -0.856 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.047 -1.435 1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.546 0.234 1.622 1.00 0.00 H new ATOM 1028 N ALA A 67 2.675 2.956 1.576 1.00 0.00 N ATOM 1029 CA ALA A 67 2.716 3.925 0.569 1.00 0.00 C ATOM 1030 C ALA A 67 4.031 4.714 0.586 1.00 0.00 C ATOM 1031 O ALA A 67 4.724 4.777 -0.419 1.00 0.00 O ATOM 1032 CB ALA A 67 1.500 4.827 0.712 1.00 0.00 C ATOM 0 H ALA A 67 1.900 3.099 2.224 1.00 0.00 H new ATOM 0 HA ALA A 67 2.682 3.436 -0.405 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.518 5.589 -0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.592 4.232 0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.517 5.308 1.690 1.00 0.00 H new ATOM 1038 N ALA A 68 4.361 5.279 1.726 1.00 0.00 N ATOM 1039 CA ALA A 68 5.566 6.110 1.934 1.00 0.00 C ATOM 1040 C ALA A 68 6.828 5.369 1.860 1.00 0.00 C ATOM 1041 O ALA A 68 7.782 5.835 1.284 1.00 0.00 O ATOM 1042 CB ALA A 68 5.571 6.774 3.259 1.00 0.00 C ATOM 0 H ALA A 68 3.794 5.181 2.569 1.00 0.00 H new ATOM 0 HA ALA A 68 5.508 6.830 1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.476 7.372 3.363 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.697 7.420 3.346 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.543 6.019 4.045 1.00 0.00 H new ATOM 1048 N TYR A 69 6.882 4.255 2.479 1.00 0.00 N ATOM 1049 CA TYR A 69 8.045 3.496 2.477 1.00 0.00 C ATOM 1050 C TYR A 69 8.189 2.802 1.172 1.00 0.00 C ATOM 1051 O TYR A 69 9.211 2.227 0.860 1.00 0.00 O ATOM 1052 CB TYR A 69 8.038 2.606 3.649 1.00 0.00 C ATOM 1053 CG TYR A 69 8.027 3.347 4.997 1.00 0.00 C ATOM 1054 CD1 TYR A 69 8.725 4.534 5.181 1.00 0.00 C ATOM 1055 CD2 TYR A 69 7.332 2.839 6.081 1.00 0.00 C ATOM 1056 CE1 TYR A 69 8.727 5.187 6.395 1.00 0.00 C ATOM 1057 CE2 TYR A 69 7.327 3.489 7.303 1.00 0.00 C ATOM 1058 CZ TYR A 69 8.029 4.663 7.450 1.00 0.00 C ATOM 1059 OH TYR A 69 8.038 5.315 8.666 1.00 0.00 O ATOM 0 H TYR A 69 6.107 3.849 3.003 1.00 0.00 H new ATOM 0 HA TYR A 69 8.932 4.122 2.573 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.163 1.958 3.595 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.916 1.961 3.608 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.278 4.955 4.354 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.782 1.916 5.971 1.00 0.00 H new ATOM 0 HE1 TYR A 69 9.277 6.109 6.514 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.776 3.077 8.135 1.00 0.00 H new ATOM 0 HH TYR A 69 7.494 4.815 9.309 1.00 0.00 H new ATOM 1069 N HIS A 70 7.153 2.851 0.409 1.00 0.00 N ATOM 1070 CA HIS A 70 7.288 2.470 -0.969 1.00 0.00 C ATOM 1071 C HIS A 70 7.846 3.631 -1.688 1.00 0.00 C ATOM 1072 O HIS A 70 8.756 3.489 -2.406 1.00 0.00 O ATOM 1073 CB HIS A 70 5.991 2.141 -1.711 1.00 0.00 C ATOM 1074 CG HIS A 70 6.208 1.742 -3.169 1.00 0.00 C ATOM 1075 ND1 HIS A 70 5.390 2.177 -4.194 1.00 0.00 N ATOM 1076 CD2 HIS A 70 7.134 0.939 -3.753 1.00 0.00 C ATOM 1077 CE1 HIS A 70 5.800 1.654 -5.335 1.00 0.00 C ATOM 1078 NE2 HIS A 70 6.855 0.907 -5.096 1.00 0.00 N ATOM 0 H HIS A 70 6.219 3.143 0.698 1.00 0.00 H new ATOM 0 HA HIS A 70 7.896 1.566 -0.955 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.481 1.329 -1.192 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.331 3.007 -1.674 1.00 0.00 H new ATOM 0 HD1 HIS A 70 4.593 2.805 -4.086 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.940 0.422 -3.254 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.345 1.813 -6.302 1.00 0.00 H new ATOM 1087 N ALA A 71 7.160 4.737 -1.531 1.00 0.00 N ATOM 1088 CA ALA A 71 7.425 6.043 -2.122 1.00 0.00 C ATOM 1089 C ALA A 71 8.843 6.368 -2.072 1.00 0.00 C ATOM 1090 O ALA A 71 9.431 6.813 -3.026 1.00 0.00 O ATOM 1091 CB ALA A 71 6.747 7.001 -1.256 1.00 0.00 C ATOM 0 H ALA A 71 6.330 4.757 -0.938 1.00 0.00 H new ATOM 0 HA ALA A 71 7.096 6.059 -3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.902 8.010 -1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.680 6.781 -1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.152 6.929 -0.247 1.00 0.00 H new ATOM 1097 N LYS A 72 9.349 6.139 -0.931 1.00 0.00 N ATOM 1098 CA LYS A 72 10.703 6.306 -0.626 1.00 0.00 C ATOM 1099 C LYS A 72 11.624 5.627 -1.707 1.00 0.00 C ATOM 1100 O LYS A 72 12.651 6.172 -2.116 1.00 0.00 O ATOM 1101 CB LYS A 72 10.958 5.711 0.725 1.00 0.00 C ATOM 1102 CG LYS A 72 10.862 6.664 1.837 1.00 0.00 C ATOM 1103 CD LYS A 72 11.297 5.951 3.040 1.00 0.00 C ATOM 1104 CE LYS A 72 11.238 6.820 4.269 1.00 0.00 C ATOM 1105 NZ LYS A 72 12.172 7.970 4.193 1.00 0.00 N ATOM 0 H LYS A 72 8.796 5.811 -0.139 1.00 0.00 H new ATOM 0 HA LYS A 72 10.942 7.369 -0.623 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.246 4.903 0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.953 5.265 0.730 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.491 7.536 1.655 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.840 7.026 1.950 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.668 5.073 3.187 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.317 5.593 2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.221 7.189 4.401 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.476 6.220 5.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.208 8.449 5.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.122 7.630 3.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.841 8.639 3.468 1.00 0.00 H new ATOM 1119 N HIS A 73 11.207 4.436 -2.152 1.00 0.00 N ATOM 1120 CA HIS A 73 11.874 3.694 -3.255 1.00 0.00 C ATOM 1121 C HIS A 73 11.145 3.855 -4.654 1.00 0.00 C ATOM 1122 O HIS A 73 11.827 3.798 -5.675 1.00 0.00 O ATOM 1123 CB HIS A 73 12.118 2.178 -2.923 1.00 0.00 C ATOM 1124 CG HIS A 73 13.055 1.480 -3.886 1.00 0.00 C ATOM 1125 ND1 HIS A 73 14.411 1.430 -3.701 1.00 0.00 N ATOM 1126 CD2 HIS A 73 12.817 0.785 -5.027 1.00 0.00 C ATOM 1127 CE1 HIS A 73 14.966 0.748 -4.672 1.00 0.00 C ATOM 1128 NE2 HIS A 73 14.026 0.342 -5.492 1.00 0.00 N ATOM 0 H HIS A 73 10.398 3.950 -1.765 1.00 0.00 H new ATOM 0 HA HIS A 73 12.852 4.167 -3.347 1.00 0.00 H new ATOM 0 HB2 HIS A 73 12.524 2.098 -1.915 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.160 1.658 -2.923 1.00 0.00 H new ATOM 0 HD2 HIS A 73 11.853 0.613 -5.483 1.00 0.00 H new ATOM 0 HE1 HIS A 73 16.023 0.552 -4.780 1.00 0.00 H new ATOM 0 HE2 HIS A 73 14.172 -0.212 -6.336 1.00 0.00 H new ATOM 1137 N CYS A 74 9.758 3.990 -4.720 1.00 0.00 N ATOM 1138 CA CYS A 74 9.106 4.252 -5.995 1.00 0.00 C ATOM 1139 C CYS A 74 9.618 5.640 -6.377 1.00 0.00 C ATOM 1140 O CYS A 74 9.182 6.605 -5.780 1.00 0.00 O ATOM 1141 CB CYS A 74 7.479 4.367 -5.863 1.00 0.00 C ATOM 1142 SG CYS A 74 6.621 4.330 -7.448 1.00 0.00 S ATOM 0 H CYS A 74 9.129 3.919 -3.920 1.00 0.00 H new ATOM 0 HA CYS A 74 9.318 3.451 -6.703 1.00 0.00 H new ATOM 0 HB2 CYS A 74 7.115 3.548 -5.243 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.230 5.294 -5.346 1.00 0.00 H new ATOM 0 HG CYS A 74 5.340 4.424 -7.250 1.00 0.00 H new ATOM 1148 N GLN A 75 10.530 5.787 -7.325 1.00 0.00 N ATOM 1149 CA GLN A 75 10.946 7.119 -7.620 1.00 0.00 C ATOM 1150 C GLN A 75 10.052 7.620 -8.697 1.00 0.00 C ATOM 1151 O GLN A 75 10.300 7.393 -9.887 1.00 0.00 O ATOM 1152 CB GLN A 75 12.459 7.239 -7.949 1.00 0.00 C ATOM 1153 CG GLN A 75 13.322 6.872 -6.742 1.00 0.00 C ATOM 1154 CD GLN A 75 13.323 7.967 -5.651 1.00 0.00 C ATOM 1155 OE1 GLN A 75 14.183 8.839 -5.668 1.00 0.00 O ATOM 1156 NE2 GLN A 75 12.361 7.981 -4.724 1.00 0.00 N ATOM 0 H GLN A 75 10.966 5.041 -7.867 1.00 0.00 H new ATOM 0 HA GLN A 75 10.848 7.749 -6.736 1.00 0.00 H new ATOM 0 HB2 GLN A 75 12.704 6.585 -8.786 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.685 8.258 -8.264 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.960 5.938 -6.313 1.00 0.00 H new ATOM 0 HG3 GLN A 75 14.345 6.695 -7.073 1.00 0.00 H new ATOM 0 HE21 GLN A 75 11.649 7.251 -4.717 1.00 0.00 H new ATOM 0 HE22 GLN A 75 12.339 8.722 -4.023 1.00 0.00 H new ATOM 1165 N GLU A 76 8.960 8.234 -8.283 1.00 0.00 N ATOM 1166 CA GLU A 76 7.940 8.608 -9.154 1.00 0.00 C ATOM 1167 C GLU A 76 7.254 9.761 -8.565 1.00 0.00 C ATOM 1168 O GLU A 76 7.209 9.896 -7.335 1.00 0.00 O ATOM 1169 CB GLU A 76 6.939 7.444 -9.378 1.00 0.00 C ATOM 1170 CG GLU A 76 5.873 7.802 -10.388 1.00 0.00 C ATOM 1171 CD GLU A 76 6.521 8.203 -11.685 1.00 0.00 C ATOM 1172 OE1 GLU A 76 7.092 7.340 -12.376 1.00 0.00 O ATOM 1173 OE2 GLU A 76 6.553 9.419 -11.987 1.00 0.00 O ATOM 0 H GLU A 76 8.784 8.477 -7.308 1.00 0.00 H new ATOM 0 HA GLU A 76 8.360 8.864 -10.127 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.480 6.561 -9.719 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.468 7.183 -8.430 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.210 6.952 -10.549 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.258 8.619 -10.009 1.00 0.00 H new ATOM 1180 N ASN A 77 6.783 10.621 -9.399 1.00 0.00 N ATOM 1181 CA ASN A 77 6.120 11.742 -8.922 1.00 0.00 C ATOM 1182 C ASN A 77 4.689 11.738 -9.430 1.00 0.00 C ATOM 1183 O ASN A 77 3.869 12.559 -9.024 1.00 0.00 O ATOM 1184 CB ASN A 77 6.939 12.985 -9.217 1.00 0.00 C ATOM 1185 CG ASN A 77 6.666 14.184 -8.278 1.00 0.00 C ATOM 1186 OD1 ASN A 77 7.579 14.952 -7.965 1.00 0.00 O ATOM 1187 ND2 ASN A 77 5.449 14.374 -7.855 1.00 0.00 N ATOM 0 H ASN A 77 6.854 10.553 -10.414 1.00 0.00 H new ATOM 0 HA ASN A 77 6.026 11.732 -7.836 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.997 12.728 -9.156 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.745 13.295 -10.244 1.00 0.00 H new ATOM 0 HD21 ASN A 77 5.237 15.170 -7.253 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.708 13.727 -8.125 1.00 0.00 H new ATOM 1194 N LYS A 78 4.398 10.800 -10.331 1.00 0.00 N ATOM 1195 CA LYS A 78 3.042 10.564 -10.780 1.00 0.00 C ATOM 1196 C LYS A 78 2.193 10.201 -9.618 1.00 0.00 C ATOM 1197 O LYS A 78 2.636 9.476 -8.732 1.00 0.00 O ATOM 1198 CB LYS A 78 2.986 9.514 -11.855 1.00 0.00 C ATOM 1199 CG LYS A 78 3.597 9.985 -13.149 1.00 0.00 C ATOM 1200 CD LYS A 78 2.944 9.353 -14.344 1.00 0.00 C ATOM 1201 CE LYS A 78 3.018 7.835 -14.341 1.00 0.00 C ATOM 1202 NZ LYS A 78 2.484 7.275 -15.600 1.00 0.00 N ATOM 0 H LYS A 78 5.094 10.192 -10.762 1.00 0.00 H new ATOM 0 HA LYS A 78 2.657 11.481 -11.225 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.508 8.620 -11.514 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.948 9.230 -12.028 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.507 11.069 -13.218 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.662 9.752 -13.153 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.898 9.658 -14.381 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.418 9.731 -15.250 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.052 7.518 -14.208 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.453 7.442 -13.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.546 6.237 -15.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.490 7.560 -15.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.040 7.634 -16.403 1.00 0.00 H new ATOM 1216 N CYS A 79 0.987 10.677 -9.619 1.00 0.00 N ATOM 1217 CA CYS A 79 0.217 10.641 -8.433 1.00 0.00 C ATOM 1218 C CYS A 79 -0.911 9.646 -8.402 1.00 0.00 C ATOM 1219 O CYS A 79 -1.987 9.937 -8.923 1.00 0.00 O ATOM 1220 CB CYS A 79 -0.313 12.050 -8.103 1.00 0.00 C ATOM 1221 SG CYS A 79 -1.279 12.172 -6.570 1.00 0.00 S ATOM 0 H CYS A 79 0.523 11.091 -10.428 1.00 0.00 H new ATOM 0 HA CYS A 79 0.911 10.289 -7.670 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.534 12.733 -8.035 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.932 12.391 -8.932 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.484 12.438 -5.576 1.00 0.00 H new ATOM 1227 N PRO A 80 -0.712 8.403 -7.899 1.00 0.00 N ATOM 1228 CA PRO A 80 -1.821 7.651 -7.531 1.00 0.00 C ATOM 1229 C PRO A 80 -1.978 7.435 -6.017 1.00 0.00 C ATOM 1230 O PRO A 80 -3.102 7.459 -5.504 1.00 0.00 O ATOM 1231 CB PRO A 80 -1.600 6.362 -8.299 1.00 0.00 C ATOM 1232 CG PRO A 80 -0.114 6.215 -8.447 1.00 0.00 C ATOM 1233 CD PRO A 80 0.483 7.512 -7.972 1.00 0.00 C ATOM 0 HA PRO A 80 -2.759 8.152 -7.769 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.024 5.512 -7.764 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.087 6.401 -9.274 1.00 0.00 H new ATOM 0 HG2 PRO A 80 0.255 5.377 -7.856 1.00 0.00 H new ATOM 0 HG3 PRO A 80 0.157 6.018 -9.484 1.00 0.00 H new ATOM 0 HD2 PRO A 80 0.970 7.405 -7.003 1.00 0.00 H new ATOM 0 HD3 PRO A 80 1.233 7.893 -8.665 1.00 0.00 H new ATOM 1241 N VAL A 81 -0.888 7.334 -5.301 1.00 0.00 N ATOM 1242 CA VAL A 81 -0.944 6.807 -3.976 1.00 0.00 C ATOM 1243 C VAL A 81 -0.750 7.840 -2.870 1.00 0.00 C ATOM 1244 O VAL A 81 0.343 8.647 -2.882 1.00 0.00 O ATOM 1245 CB VAL A 81 0.078 5.639 -3.811 1.00 0.00 C ATOM 1246 CG1 VAL A 81 0.028 4.962 -2.439 1.00 0.00 C ATOM 1247 CG2 VAL A 81 -0.130 4.621 -4.871 1.00 0.00 C ATOM 0 H VAL A 81 0.042 7.610 -5.617 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.962 6.438 -3.855 1.00 0.00 H new ATOM 0 HB VAL A 81 1.065 6.092 -3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.767 4.161 -2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.248 5.695 -1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.966 4.547 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.589 3.812 -4.744 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.142 4.222 -4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.010 5.081 -5.849 1.00 0.00 H new ATOM 1257 N PRO A 82 -1.726 7.696 -1.793 1.00 0.00 N ATOM 1258 CA PRO A 82 -1.770 8.433 -0.529 1.00 0.00 C ATOM 1259 C PRO A 82 -0.471 8.167 0.060 1.00 0.00 C ATOM 1260 O PRO A 82 0.138 7.221 -0.347 1.00 0.00 O ATOM 1261 CB PRO A 82 -2.864 7.724 0.307 1.00 0.00 C ATOM 1262 CG PRO A 82 -2.802 6.382 -0.246 1.00 0.00 C ATOM 1263 CD PRO A 82 -2.707 6.640 -1.722 1.00 0.00 C ATOM 0 HA PRO A 82 -1.974 9.501 -0.606 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.645 7.742 1.375 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.845 8.180 0.176 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.939 5.830 0.125 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.687 5.798 0.007 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.388 5.753 -2.269 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.665 6.947 -2.143 1.00 0.00 H new ATOM 1271 N PHE A 83 -0.176 8.764 1.122 1.00 0.00 N ATOM 1272 CA PHE A 83 1.170 9.163 1.407 1.00 0.00 C ATOM 1273 C PHE A 83 2.245 8.166 1.003 1.00 0.00 C ATOM 1274 O PHE A 83 2.773 7.404 1.737 1.00 0.00 O ATOM 1275 CB PHE A 83 1.317 9.432 2.859 1.00 0.00 C ATOM 1276 CG PHE A 83 0.074 9.940 3.584 1.00 0.00 C ATOM 1277 CD1 PHE A 83 -1.004 9.076 3.783 1.00 0.00 C ATOM 1278 CD2 PHE A 83 -0.016 11.218 4.092 1.00 0.00 C ATOM 1279 CE1 PHE A 83 -2.111 9.454 4.441 1.00 0.00 C ATOM 1280 CE2 PHE A 83 -1.165 11.610 4.770 1.00 0.00 C ATOM 1281 CZ PHE A 83 -2.209 10.705 4.937 1.00 0.00 C ATOM 0 H PHE A 83 -0.851 9.006 1.847 1.00 0.00 H new ATOM 0 HA PHE A 83 1.328 10.054 0.799 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.645 8.513 3.345 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.113 10.164 2.992 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -0.945 8.070 3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.802 11.912 3.964 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.924 8.756 4.574 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.247 12.612 5.165 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.101 11.005 5.466 1.00 0.00 H new ATOM 1291 N CYS A 84 2.451 8.375 -0.215 1.00 0.00 N ATOM 1292 CA CYS A 84 3.271 7.978 -1.252 1.00 0.00 C ATOM 1293 C CYS A 84 3.437 9.303 -1.830 1.00 0.00 C ATOM 1294 O CYS A 84 3.517 10.208 -1.063 1.00 0.00 O ATOM 1295 CB CYS A 84 2.718 6.901 -2.211 1.00 0.00 C ATOM 1296 SG CYS A 84 3.699 6.543 -3.705 1.00 0.00 S ATOM 0 H CYS A 84 1.823 9.067 -0.625 1.00 0.00 H new ATOM 0 HA CYS A 84 4.173 7.439 -0.965 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.604 5.974 -1.650 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.720 7.207 -2.526 1.00 0.00 H new ATOM 0 HG CYS A 84 3.028 5.748 -4.485 1.00 0.00 H new ATOM 1302 N LEU A 85 3.538 9.427 -3.101 1.00 0.00 N ATOM 1303 CA LEU A 85 4.186 10.582 -3.832 1.00 0.00 C ATOM 1304 C LEU A 85 4.016 12.050 -3.265 1.00 0.00 C ATOM 1305 O LEU A 85 4.791 12.918 -3.618 1.00 0.00 O ATOM 1306 CB LEU A 85 3.990 10.515 -5.394 1.00 0.00 C ATOM 1307 CG LEU A 85 2.648 10.933 -6.025 1.00 0.00 C ATOM 1308 CD1 LEU A 85 1.481 10.191 -5.457 1.00 0.00 C ATOM 1309 CD2 LEU A 85 2.446 12.405 -5.921 1.00 0.00 C ATOM 0 H LEU A 85 3.171 8.721 -3.739 1.00 0.00 H new ATOM 0 HA LEU A 85 5.232 10.390 -3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.766 11.135 -5.844 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.185 9.487 -5.701 1.00 0.00 H new ATOM 0 HG LEU A 85 2.703 10.662 -7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.565 10.529 -5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.610 9.123 -5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.416 10.380 -4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.492 12.674 -6.374 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.445 12.699 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.253 12.921 -6.442 1.00 0.00 H new ATOM 1321 N ASN A 86 3.081 12.295 -2.380 1.00 0.00 N ATOM 1322 CA ASN A 86 3.017 13.557 -1.635 1.00 0.00 C ATOM 1323 C ASN A 86 4.111 13.563 -0.516 1.00 0.00 C ATOM 1324 O ASN A 86 4.418 14.604 0.061 1.00 0.00 O ATOM 1325 CB ASN A 86 1.619 13.777 -1.022 1.00 0.00 C ATOM 1326 CG ASN A 86 1.207 12.686 -0.050 1.00 0.00 C ATOM 1327 OD1 ASN A 86 0.658 11.661 -0.459 1.00 0.00 O ATOM 1328 ND2 ASN A 86 1.435 12.892 1.222 1.00 0.00 N ATOM 0 H ASN A 86 2.338 11.636 -2.146 1.00 0.00 H new ATOM 0 HA ASN A 86 3.205 14.376 -2.329 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.604 14.737 -0.506 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.884 13.835 -1.825 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.156 12.193 1.910 1.00 0.00 H new ATOM 0 HD22 ASN A 86 1.892 13.752 1.526 1.00 0.00 H new ATOM 1335 N ILE A 87 4.671 12.368 -0.204 1.00 0.00 N ATOM 1336 CA ILE A 87 5.824 12.227 0.717 1.00 0.00 C ATOM 1337 C ILE A 87 7.045 12.700 -0.031 1.00 0.00 C ATOM 1338 O ILE A 87 7.990 13.263 0.527 1.00 0.00 O ATOM 1339 CB ILE A 87 6.048 10.706 1.240 1.00 0.00 C ATOM 1340 CG1 ILE A 87 6.101 10.695 2.772 1.00 0.00 C ATOM 1341 CG2 ILE A 87 7.349 10.013 0.669 1.00 0.00 C ATOM 1342 CD1 ILE A 87 4.813 11.144 3.436 1.00 0.00 C ATOM 0 H ILE A 87 4.338 11.481 -0.581 1.00 0.00 H new ATOM 0 HA ILE A 87 5.633 12.820 1.611 1.00 0.00 H new ATOM 0 HB ILE A 87 5.202 10.128 0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.340 9.687 3.110 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.913 11.343 3.102 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.426 9.001 1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.292 9.973 -0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.227 10.587 0.966 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.930 11.109 4.519 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.582 12.164 3.129 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.000 10.482 3.137 1.00 0.00 H new ATOM 1354 N LYS A 88 6.957 12.541 -1.324 1.00 0.00 N ATOM 1355 CA LYS A 88 8.009 12.843 -2.218 1.00 0.00 C ATOM 1356 C LYS A 88 7.883 14.275 -2.640 1.00 0.00 C ATOM 1357 O LYS A 88 7.487 14.589 -3.772 1.00 0.00 O ATOM 1358 CB LYS A 88 7.877 11.934 -3.408 1.00 0.00 C ATOM 1359 CG LYS A 88 7.752 10.485 -3.012 1.00 0.00 C ATOM 1360 CD LYS A 88 7.834 9.575 -4.192 1.00 0.00 C ATOM 1361 CE LYS A 88 9.272 9.313 -4.587 1.00 0.00 C ATOM 1362 NZ LYS A 88 10.031 10.517 -5.034 1.00 0.00 N ATOM 0 H LYS A 88 6.119 12.186 -1.785 1.00 0.00 H new ATOM 0 HA LYS A 88 8.982 12.697 -1.750 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.003 12.226 -3.990 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.746 12.058 -4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.542 10.233 -2.304 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.803 10.330 -2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.341 8.631 -3.961 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.299 10.017 -5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.791 8.869 -3.738 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.284 8.575 -5.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.902 10.219 -5.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.445 11.074 -5.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.276 11.099 -4.208 1.00 0.00 H new ATOM 1376 N GLN A 89 8.156 15.136 -1.718 1.00 0.00 N ATOM 1377 CA GLN A 89 8.099 16.524 -1.950 1.00 0.00 C ATOM 1378 C GLN A 89 9.374 17.183 -1.506 1.00 0.00 C ATOM 1379 O GLN A 89 9.567 17.418 -0.315 1.00 0.00 O ATOM 1380 CB GLN A 89 6.902 17.180 -1.247 1.00 0.00 C ATOM 1381 CG GLN A 89 5.555 16.925 -1.913 1.00 0.00 C ATOM 1382 CD GLN A 89 5.444 17.514 -3.320 1.00 0.00 C ATOM 1383 OE1 GLN A 89 6.416 17.624 -4.064 1.00 0.00 O ATOM 1384 NE2 GLN A 89 4.259 17.880 -3.699 1.00 0.00 N ATOM 0 H GLN A 89 8.429 14.882 -0.769 1.00 0.00 H new ATOM 0 HA GLN A 89 7.971 16.664 -3.023 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.858 16.818 -0.220 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.071 18.256 -1.199 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.383 15.850 -1.964 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.766 17.345 -1.289 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.467 17.779 -3.064 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.119 18.268 -4.632 1.00 0.00 H new ATOM 1393 N LYS A 90 10.274 17.416 -2.418 1.00 0.00 N ATOM 1394 CA LYS A 90 11.459 18.129 -2.104 1.00 0.00 C ATOM 1395 C LYS A 90 11.745 18.956 -3.330 1.00 0.00 C ATOM 1396 O LYS A 90 11.312 20.116 -3.380 1.00 0.00 O ATOM 1397 CB LYS A 90 12.625 17.159 -1.789 1.00 0.00 C ATOM 1398 CG LYS A 90 13.715 17.600 -0.767 1.00 0.00 C ATOM 1399 CD LYS A 90 14.396 18.947 -1.039 1.00 0.00 C ATOM 1400 CE LYS A 90 13.548 20.113 -0.556 1.00 0.00 C ATOM 1401 NZ LYS A 90 14.240 21.417 -0.695 1.00 0.00 N ATOM 1402 OXT LYS A 90 12.305 18.425 -4.302 1.00 0.00 O ATOM 0 H LYS A 90 10.200 17.116 -3.390 1.00 0.00 H new ATOM 0 HA LYS A 90 11.345 18.749 -1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.190 16.228 -1.426 1.00 0.00 H new ATOM 0 HB3 LYS A 90 13.127 16.931 -2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 90 13.260 17.640 0.223 1.00 0.00 H new ATOM 0 HG3 LYS A 90 14.484 16.828 -0.733 1.00 0.00 H new ATOM 0 HD2 LYS A 90 15.366 18.972 -0.542 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.583 19.051 -2.108 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.616 20.138 -1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.283 19.956 0.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 13.619 22.178 -0.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 15.116 21.406 -0.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 14.470 21.583 -1.696 1.00 0.00 H new TER 1416 LYS A 90 ATOM 1417 N LEU B 1 6.915 -0.020 -13.294 1.00 0.00 N ATOM 1418 CA LEU B 1 6.275 -1.297 -12.924 1.00 0.00 C ATOM 1419 C LEU B 1 6.790 -1.870 -11.574 1.00 0.00 C ATOM 1420 O LEU B 1 5.978 -2.032 -10.654 1.00 0.00 O ATOM 1421 CB LEU B 1 6.344 -2.382 -14.041 1.00 0.00 C ATOM 1422 CG LEU B 1 5.455 -2.217 -15.294 1.00 0.00 C ATOM 1423 CD1 LEU B 1 5.869 -1.041 -16.155 1.00 0.00 C ATOM 1424 CD2 LEU B 1 5.454 -3.499 -16.109 1.00 0.00 C ATOM 0 H1 LEU B 1 6.184 0.670 -13.560 1.00 0.00 H new ATOM 0 H2 LEU B 1 7.457 0.344 -12.484 1.00 0.00 H new ATOM 0 H3 LEU B 1 7.556 -0.173 -14.099 1.00 0.00 H new ATOM 0 HA LEU B 1 5.224 -1.038 -12.796 1.00 0.00 H new ATOM 0 HB2 LEU B 1 7.379 -2.445 -14.377 1.00 0.00 H new ATOM 0 HB3 LEU B 1 6.098 -3.341 -13.585 1.00 0.00 H new ATOM 0 HG LEU B 1 4.444 -2.009 -14.944 1.00 0.00 H new ATOM 0 HD11 LEU B 1 5.210 -0.974 -17.020 1.00 0.00 H new ATOM 0 HD12 LEU B 1 5.799 -0.122 -15.573 1.00 0.00 H new ATOM 0 HD13 LEU B 1 6.896 -1.180 -16.491 1.00 0.00 H new ATOM 0 HD21 LEU B 1 4.824 -3.370 -16.989 1.00 0.00 H new ATOM 0 HD22 LEU B 1 6.472 -3.732 -16.422 1.00 0.00 H new ATOM 0 HD23 LEU B 1 5.065 -4.316 -15.501 1.00 0.00 H new ATOM 1438 N PRO B 2 8.130 -2.205 -11.410 1.00 0.00 N ATOM 1439 CA PRO B 2 8.644 -2.780 -10.155 1.00 0.00 C ATOM 1440 C PRO B 2 8.314 -1.922 -8.930 1.00 0.00 C ATOM 1441 O PRO B 2 8.825 -0.816 -8.754 1.00 0.00 O ATOM 1442 CB PRO B 2 10.168 -2.873 -10.364 1.00 0.00 C ATOM 1443 CG PRO B 2 10.451 -2.024 -11.550 1.00 0.00 C ATOM 1444 CD PRO B 2 9.222 -2.077 -12.398 1.00 0.00 C ATOM 0 HA PRO B 2 8.183 -3.746 -9.951 1.00 0.00 H new ATOM 0 HB2 PRO B 2 10.708 -2.517 -9.487 1.00 0.00 H new ATOM 0 HB3 PRO B 2 10.480 -3.903 -10.534 1.00 0.00 H new ATOM 0 HG2 PRO B 2 10.675 -1.000 -11.252 1.00 0.00 H new ATOM 0 HG3 PRO B 2 11.318 -2.394 -12.097 1.00 0.00 H new ATOM 0 HD2 PRO B 2 9.113 -1.177 -13.004 1.00 0.00 H new ATOM 0 HD3 PRO B 2 9.244 -2.923 -13.085 1.00 0.00 H new ATOM 1452 N SER B 3 7.453 -2.439 -8.101 1.00 0.00 N ATOM 1453 CA SER B 3 7.010 -1.757 -6.923 1.00 0.00 C ATOM 1454 C SER B 3 7.711 -2.315 -5.686 1.00 0.00 C ATOM 1455 O SER B 3 7.216 -2.206 -4.561 1.00 0.00 O ATOM 1456 CB SER B 3 5.501 -1.882 -6.817 1.00 0.00 C ATOM 1457 OG SER B 3 4.881 -1.316 -7.966 1.00 0.00 O ATOM 0 H SER B 3 7.034 -3.360 -8.228 1.00 0.00 H new ATOM 0 HA SER B 3 7.268 -0.700 -6.988 1.00 0.00 H new ATOM 0 HB2 SER B 3 5.221 -2.931 -6.723 1.00 0.00 H new ATOM 0 HB3 SER B 3 5.149 -1.376 -5.918 1.00 0.00 H new ATOM 0 HG SER B 3 5.229 -1.750 -8.773 1.00 0.00 H new ATOM 1463 N GLN B 4 8.891 -2.850 -5.918 1.00 0.00 N ATOM 1464 CA GLN B 4 9.732 -3.426 -4.889 1.00 0.00 C ATOM 1465 C GLN B 4 10.135 -2.357 -3.884 1.00 0.00 C ATOM 1466 O GLN B 4 10.549 -1.255 -4.272 1.00 0.00 O ATOM 1467 CB GLN B 4 11.006 -4.001 -5.524 1.00 0.00 C ATOM 1468 CG GLN B 4 10.760 -4.978 -6.668 1.00 0.00 C ATOM 1469 CD GLN B 4 12.034 -5.585 -7.233 1.00 0.00 C ATOM 1470 OE1 GLN B 4 13.114 -4.855 -7.188 1.00 0.00 O flip ATOM 1471 NE2 GLN B 4 12.030 -6.718 -7.721 1.00 0.00 N flip ATOM 0 H GLN B 4 9.302 -2.898 -6.850 1.00 0.00 H new ATOM 0 HA GLN B 4 9.173 -4.215 -4.385 1.00 0.00 H new ATOM 0 HB2 GLN B 4 11.616 -3.177 -5.893 1.00 0.00 H new ATOM 0 HB3 GLN B 4 11.586 -4.506 -4.751 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.110 -5.779 -6.317 1.00 0.00 H new ATOM 0 HG3 GLN B 4 10.227 -4.462 -7.467 1.00 0.00 H new ATOM 0 HE21 GLN B 4 11.167 -7.262 -7.740 1.00 0.00 H new ATOM 0 HE22 GLN B 4 12.889 -7.111 -8.105 1.00 0.00 H new ATOM 1480 N ALA B 5 9.982 -2.640 -2.617 1.00 0.00 N ATOM 1481 CA ALA B 5 10.460 -1.753 -1.623 1.00 0.00 C ATOM 1482 C ALA B 5 11.333 -2.527 -0.725 1.00 0.00 C ATOM 1483 O ALA B 5 11.131 -3.738 -0.552 1.00 0.00 O ATOM 1484 CB ALA B 5 9.343 -1.130 -0.829 1.00 0.00 C ATOM 0 H ALA B 5 9.528 -3.482 -2.262 1.00 0.00 H new ATOM 0 HA ALA B 5 10.998 -0.936 -2.104 1.00 0.00 H new ATOM 0 HB1 ALA B 5 9.760 -0.458 -0.079 1.00 0.00 H new ATOM 0 HB2 ALA B 5 8.691 -0.568 -1.498 1.00 0.00 H new ATOM 0 HB3 ALA B 5 8.768 -1.913 -0.334 1.00 0.00 H new ATOM 1490 N MET B 6 12.310 -1.887 -0.189 1.00 0.00 N ATOM 1491 CA MET B 6 13.154 -2.540 0.730 1.00 0.00 C ATOM 1492 C MET B 6 12.503 -2.448 2.087 1.00 0.00 C ATOM 1493 O MET B 6 12.018 -1.390 2.476 1.00 0.00 O ATOM 1494 CB MET B 6 14.591 -1.986 0.676 1.00 0.00 C ATOM 1495 CG MET B 6 14.787 -0.553 1.112 1.00 0.00 C ATOM 1496 SD MET B 6 16.457 0.068 0.796 1.00 0.00 S ATOM 1497 CE MET B 6 17.452 -1.042 1.791 1.00 0.00 C ATOM 0 H MET B 6 12.540 -0.911 -0.375 1.00 0.00 H new ATOM 0 HA MET B 6 13.271 -3.594 0.477 1.00 0.00 H new ATOM 0 HB2 MET B 6 15.223 -2.620 1.299 1.00 0.00 H new ATOM 0 HB3 MET B 6 14.954 -2.082 -0.347 1.00 0.00 H new ATOM 0 HG2 MET B 6 14.067 0.079 0.592 1.00 0.00 H new ATOM 0 HG3 MET B 6 14.572 -0.472 2.178 1.00 0.00 H new ATOM 0 HE1 MET B 6 18.250 -0.480 2.276 1.00 0.00 H new ATOM 0 HE2 MET B 6 16.825 -1.511 2.550 1.00 0.00 H new ATOM 0 HE3 MET B 6 17.887 -1.811 1.153 1.00 0.00 H new ATOM 1507 N ASP B 7 12.462 -3.554 2.782 1.00 0.00 N ATOM 1508 CA ASP B 7 11.728 -3.681 4.058 1.00 0.00 C ATOM 1509 C ASP B 7 12.274 -2.758 5.136 1.00 0.00 C ATOM 1510 O ASP B 7 11.600 -2.470 6.118 1.00 0.00 O ATOM 1511 CB ASP B 7 11.740 -5.130 4.537 1.00 0.00 C ATOM 1512 CG ASP B 7 13.118 -5.606 4.989 1.00 0.00 C ATOM 1513 OD1 ASP B 7 13.939 -5.992 4.118 1.00 0.00 O ATOM 1514 OD2 ASP B 7 13.404 -5.578 6.208 1.00 0.00 O ATOM 0 H ASP B 7 12.934 -4.411 2.494 1.00 0.00 H new ATOM 0 HA ASP B 7 10.699 -3.375 3.868 1.00 0.00 H new ATOM 0 HB2 ASP B 7 11.037 -5.238 5.363 1.00 0.00 H new ATOM 0 HB3 ASP B 7 11.387 -5.774 3.732 1.00 0.00 H new ATOM 1519 N ASP B 8 13.475 -2.271 4.910 1.00 0.00 N ATOM 1520 CA ASP B 8 14.164 -1.340 5.800 1.00 0.00 C ATOM 1521 C ASP B 8 13.437 -0.003 5.866 1.00 0.00 C ATOM 1522 O ASP B 8 13.524 0.732 6.852 1.00 0.00 O ATOM 1523 CB ASP B 8 15.608 -1.147 5.333 1.00 0.00 C ATOM 1524 CG ASP B 8 16.385 -2.447 5.296 1.00 0.00 C ATOM 1525 OD1 ASP B 8 16.282 -3.201 4.298 1.00 0.00 O ATOM 1526 OD2 ASP B 8 17.089 -2.764 6.271 1.00 0.00 O ATOM 0 H ASP B 8 14.020 -2.513 4.083 1.00 0.00 H new ATOM 0 HA ASP B 8 14.170 -1.763 6.805 1.00 0.00 H new ATOM 0 HB2 ASP B 8 15.608 -0.699 4.339 1.00 0.00 H new ATOM 0 HB3 ASP B 8 16.111 -0.446 5.999 1.00 0.00 H new ATOM 1531 N LEU B 9 12.710 0.271 4.821 1.00 0.00 N ATOM 1532 CA LEU B 9 11.894 1.471 4.694 1.00 0.00 C ATOM 1533 C LEU B 9 10.675 1.337 5.519 1.00 0.00 C ATOM 1534 O LEU B 9 10.393 2.121 6.403 1.00 0.00 O ATOM 1535 CB LEU B 9 11.495 1.656 3.214 1.00 0.00 C ATOM 1536 CG LEU B 9 12.679 1.776 2.270 1.00 0.00 C ATOM 1537 CD1 LEU B 9 12.274 2.177 0.870 1.00 0.00 C ATOM 1538 CD2 LEU B 9 13.711 2.701 2.849 1.00 0.00 C ATOM 0 H LEU B 9 12.659 -0.341 4.007 1.00 0.00 H new ATOM 0 HA LEU B 9 12.463 2.336 5.035 1.00 0.00 H new ATOM 0 HB2 LEU B 9 10.880 0.811 2.905 1.00 0.00 H new ATOM 0 HB3 LEU B 9 10.878 2.550 3.123 1.00 0.00 H new ATOM 0 HG LEU B 9 13.124 0.786 2.170 1.00 0.00 H new ATOM 0 HD11 LEU B 9 13.161 2.247 0.241 1.00 0.00 H new ATOM 0 HD12 LEU B 9 11.596 1.429 0.459 1.00 0.00 H new ATOM 0 HD13 LEU B 9 11.773 3.144 0.899 1.00 0.00 H new ATOM 0 HD21 LEU B 9 14.555 2.779 2.164 1.00 0.00 H new ATOM 0 HD22 LEU B 9 13.272 3.688 2.999 1.00 0.00 H new ATOM 0 HD23 LEU B 9 14.056 2.308 3.806 1.00 0.00 H new ATOM 1550 N MET B 10 10.089 0.263 5.294 1.00 0.00 N ATOM 1551 CA MET B 10 8.731 -0.100 5.692 1.00 0.00 C ATOM 1552 C MET B 10 8.467 -0.497 7.134 1.00 0.00 C ATOM 1553 O MET B 10 9.378 -0.849 7.884 1.00 0.00 O ATOM 1554 CB MET B 10 8.376 -1.260 4.867 1.00 0.00 C ATOM 1555 CG MET B 10 8.131 -0.931 3.468 1.00 0.00 C ATOM 1556 SD MET B 10 6.512 -0.286 3.266 1.00 0.00 S ATOM 1557 CE MET B 10 6.530 -0.212 1.532 1.00 0.00 C ATOM 0 H MET B 10 10.547 -0.490 4.781 1.00 0.00 H new ATOM 0 HA MET B 10 8.148 0.812 5.562 1.00 0.00 H new ATOM 0 HB2 MET B 10 9.180 -1.994 4.923 1.00 0.00 H new ATOM 0 HB3 MET B 10 7.485 -1.731 5.282 1.00 0.00 H new ATOM 0 HG2 MET B 10 8.865 -0.202 3.125 1.00 0.00 H new ATOM 0 HG3 MET B 10 8.254 -1.821 2.851 1.00 0.00 H new ATOM 0 HE1 MET B 10 6.470 0.828 1.212 1.00 0.00 H new ATOM 0 HE2 MET B 10 7.454 -0.654 1.159 1.00 0.00 H new ATOM 0 HE3 MET B 10 5.678 -0.764 1.135 1.00 0.00 H new ATOM 1567 N LEU B 11 7.163 -0.398 7.522 1.00 0.00 N ATOM 1568 CA LEU B 11 6.654 -1.141 8.722 1.00 0.00 C ATOM 1569 C LEU B 11 6.368 -2.606 8.278 1.00 0.00 C ATOM 1570 O LEU B 11 6.853 -3.029 7.217 1.00 0.00 O ATOM 1571 CB LEU B 11 5.339 -0.548 9.267 1.00 0.00 C ATOM 1572 CG LEU B 11 5.364 0.853 9.839 1.00 0.00 C ATOM 1573 CD1 LEU B 11 4.051 1.147 10.463 1.00 0.00 C ATOM 1574 CD2 LEU B 11 6.516 1.085 10.799 1.00 0.00 C ATOM 0 H LEU B 11 6.463 0.168 7.043 1.00 0.00 H new ATOM 0 HA LEU B 11 7.405 -1.075 9.510 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.608 -0.564 8.459 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.970 -1.217 10.044 1.00 0.00 H new ATOM 0 HG LEU B 11 5.537 1.550 9.019 1.00 0.00 H new ATOM 0 HD11 LEU B 11 4.063 2.155 10.877 1.00 0.00 H new ATOM 0 HD12 LEU B 11 3.266 1.073 9.711 1.00 0.00 H new ATOM 0 HD13 LEU B 11 3.858 0.429 11.261 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.477 2.108 11.174 1.00 0.00 H new ATOM 0 HD22 LEU B 11 6.439 0.389 11.635 1.00 0.00 H new ATOM 0 HD23 LEU B 11 7.461 0.925 10.279 1.00 0.00 H new ATOM 1586 N SER B 12 5.631 -3.396 9.073 1.00 0.00 N ATOM 1587 CA SER B 12 5.240 -4.718 8.617 1.00 0.00 C ATOM 1588 C SER B 12 4.168 -4.608 7.525 1.00 0.00 C ATOM 1589 O SER B 12 3.158 -3.903 7.699 1.00 0.00 O ATOM 1590 CB SER B 12 4.691 -5.568 9.754 1.00 0.00 C ATOM 1591 OG SER B 12 5.536 -5.506 10.895 1.00 0.00 O ATOM 0 H SER B 12 5.306 -3.144 10.007 1.00 0.00 H new ATOM 0 HA SER B 12 6.135 -5.198 8.221 1.00 0.00 H new ATOM 0 HB2 SER B 12 3.691 -5.224 10.019 1.00 0.00 H new ATOM 0 HB3 SER B 12 4.595 -6.603 9.425 1.00 0.00 H new ATOM 0 HG SER B 12 5.160 -6.059 11.611 1.00 0.00 H new ATOM 1597 N PRO B 13 4.371 -5.315 6.400 1.00 0.00 N ATOM 1598 CA PRO B 13 3.420 -5.358 5.257 1.00 0.00 C ATOM 1599 C PRO B 13 2.115 -5.987 5.593 1.00 0.00 C ATOM 1600 O PRO B 13 1.111 -5.778 4.896 1.00 0.00 O ATOM 1601 CB PRO B 13 4.050 -6.339 4.305 1.00 0.00 C ATOM 1602 CG PRO B 13 5.180 -6.996 5.017 1.00 0.00 C ATOM 1603 CD PRO B 13 5.590 -6.089 6.115 1.00 0.00 C ATOM 0 HA PRO B 13 3.245 -4.341 4.905 1.00 0.00 H new ATOM 0 HB2 PRO B 13 3.320 -7.080 3.980 1.00 0.00 H new ATOM 0 HB3 PRO B 13 4.406 -5.829 3.410 1.00 0.00 H new ATOM 0 HG2 PRO B 13 4.875 -7.965 5.412 1.00 0.00 H new ATOM 0 HG3 PRO B 13 6.012 -7.177 4.336 1.00 0.00 H new ATOM 0 HD2 PRO B 13 5.925 -6.645 6.990 1.00 0.00 H new ATOM 0 HD3 PRO B 13 6.414 -5.442 5.814 1.00 0.00 H new ATOM 1611 N ASP B 14 2.153 -6.703 6.679 1.00 0.00 N ATOM 1612 CA ASP B 14 1.144 -7.667 7.101 1.00 0.00 C ATOM 1613 C ASP B 14 -0.260 -7.212 6.878 1.00 0.00 C ATOM 1614 O ASP B 14 -1.044 -7.933 6.283 1.00 0.00 O ATOM 1615 CB ASP B 14 1.319 -8.020 8.579 1.00 0.00 C ATOM 1616 CG ASP B 14 0.305 -9.052 9.060 1.00 0.00 C ATOM 1617 OD1 ASP B 14 0.582 -10.261 8.936 1.00 0.00 O ATOM 1618 OD2 ASP B 14 -0.771 -8.665 9.583 1.00 0.00 O ATOM 0 H ASP B 14 2.927 -6.636 7.340 1.00 0.00 H new ATOM 0 HA ASP B 14 1.304 -8.543 6.473 1.00 0.00 H new ATOM 0 HB2 ASP B 14 2.326 -8.404 8.740 1.00 0.00 H new ATOM 0 HB3 ASP B 14 1.223 -7.115 9.179 1.00 0.00 H new ATOM 1623 N ASP B 15 -0.564 -6.017 7.290 1.00 0.00 N ATOM 1624 CA ASP B 15 -1.938 -5.591 7.235 1.00 0.00 C ATOM 1625 C ASP B 15 -2.451 -5.249 5.849 1.00 0.00 C ATOM 1626 O ASP B 15 -3.428 -5.798 5.439 1.00 0.00 O ATOM 1627 CB ASP B 15 -2.293 -4.528 8.263 1.00 0.00 C ATOM 1628 CG ASP B 15 -3.790 -4.492 8.521 1.00 0.00 C ATOM 1629 OD1 ASP B 15 -4.311 -5.440 9.184 1.00 0.00 O ATOM 1630 OD2 ASP B 15 -4.467 -3.567 8.077 1.00 0.00 O ATOM 0 H ASP B 15 0.097 -5.333 7.659 1.00 0.00 H new ATOM 0 HA ASP B 15 -2.485 -6.489 7.520 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -1.765 -4.729 9.195 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -1.958 -3.552 7.911 1.00 0.00 H new ATOM 1635 N ILE B 16 -1.721 -4.460 5.071 1.00 0.00 N ATOM 1636 CA ILE B 16 -2.230 -3.914 3.844 1.00 0.00 C ATOM 1637 C ILE B 16 -2.242 -4.940 2.770 1.00 0.00 C ATOM 1638 O ILE B 16 -2.986 -4.901 1.844 1.00 0.00 O ATOM 1639 CB ILE B 16 -1.478 -2.648 3.461 1.00 0.00 C ATOM 1640 CG1 ILE B 16 0.021 -2.705 3.866 1.00 0.00 C ATOM 1641 CG2 ILE B 16 -2.171 -1.480 4.099 1.00 0.00 C ATOM 1642 CD1 ILE B 16 0.261 -2.300 5.272 1.00 0.00 C ATOM 0 H ILE B 16 -0.761 -4.188 5.283 1.00 0.00 H new ATOM 0 HA ILE B 16 -3.269 -3.619 3.993 1.00 0.00 H new ATOM 0 HB ILE B 16 -1.488 -2.543 2.376 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.393 -3.719 3.718 1.00 0.00 H new ATOM 0 HG13 ILE B 16 0.595 -2.056 3.204 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -1.648 -0.560 3.838 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -3.199 -1.427 3.741 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -2.169 -1.603 5.182 1.00 0.00 H new ATOM 0 HD11 ILE B 16 1.327 -2.362 5.492 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.081 -1.276 5.419 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -0.286 -2.965 5.941 1.00 0.00 H new ATOM 1654 N GLU B 17 -1.410 -5.838 2.968 1.00 0.00 N ATOM 1655 CA GLU B 17 -1.284 -7.047 2.212 1.00 0.00 C ATOM 1656 C GLU B 17 -2.483 -7.979 2.501 1.00 0.00 C ATOM 1657 O GLU B 17 -2.884 -8.762 1.687 1.00 0.00 O ATOM 1658 CB GLU B 17 0.090 -7.665 2.487 1.00 0.00 C ATOM 1659 CG GLU B 17 0.151 -8.955 3.285 1.00 0.00 C ATOM 1660 CD GLU B 17 0.165 -10.207 2.406 1.00 0.00 C ATOM 1661 OE1 GLU B 17 1.148 -10.393 1.625 1.00 0.00 O ATOM 1662 OE2 GLU B 17 -0.752 -11.045 2.521 1.00 0.00 O ATOM 0 H GLU B 17 -0.723 -5.777 3.719 1.00 0.00 H new ATOM 0 HA GLU B 17 -1.324 -6.853 1.140 1.00 0.00 H new ATOM 0 HB2 GLU B 17 0.572 -7.845 1.526 1.00 0.00 H new ATOM 0 HB3 GLU B 17 0.691 -6.921 3.011 1.00 0.00 H new ATOM 0 HG2 GLU B 17 1.045 -8.947 3.909 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -0.706 -9.000 3.957 1.00 0.00 H new ATOM 1669 N GLN B 18 -3.097 -7.846 3.633 1.00 0.00 N ATOM 1670 CA GLN B 18 -4.328 -8.571 3.837 1.00 0.00 C ATOM 1671 C GLN B 18 -5.412 -7.851 3.092 1.00 0.00 C ATOM 1672 O GLN B 18 -6.415 -8.448 2.652 1.00 0.00 O ATOM 1673 CB GLN B 18 -4.679 -8.718 5.305 1.00 0.00 C ATOM 1674 CG GLN B 18 -3.672 -9.530 6.068 1.00 0.00 C ATOM 1675 CD GLN B 18 -3.605 -10.982 5.604 1.00 0.00 C ATOM 1676 OE1 GLN B 18 -4.310 -11.848 6.131 1.00 0.00 O ATOM 1677 NE2 GLN B 18 -2.793 -11.266 4.611 1.00 0.00 N ATOM 0 H GLN B 18 -2.787 -7.265 4.412 1.00 0.00 H new ATOM 0 HA GLN B 18 -4.212 -9.587 3.459 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -4.757 -7.729 5.756 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -5.659 -9.187 5.394 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -2.688 -9.074 5.960 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -3.921 -9.504 7.129 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -2.221 -10.532 4.194 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -2.734 -12.221 4.258 1.00 0.00 H new ATOM 1686 N TRP B 19 -5.170 -6.574 2.840 1.00 0.00 N ATOM 1687 CA TRP B 19 -6.144 -5.841 2.143 1.00 0.00 C ATOM 1688 C TRP B 19 -5.937 -6.105 0.650 1.00 0.00 C ATOM 1689 O TRP B 19 -6.864 -6.224 -0.123 1.00 0.00 O ATOM 1690 CB TRP B 19 -6.178 -4.351 2.536 1.00 0.00 C ATOM 1691 CG TRP B 19 -6.608 -4.250 3.959 1.00 0.00 C ATOM 1692 CD1 TRP B 19 -5.809 -4.366 4.994 1.00 0.00 C ATOM 1693 CD2 TRP B 19 -7.934 -4.050 4.523 1.00 0.00 C ATOM 1694 NE1 TRP B 19 -6.476 -4.364 6.118 1.00 0.00 N ATOM 1695 CE2 TRP B 19 -7.774 -4.132 5.891 1.00 0.00 C ATOM 1696 CE3 TRP B 19 -9.216 -3.824 4.028 1.00 0.00 C ATOM 1697 CZ2 TRP B 19 -8.816 -4.008 6.779 1.00 0.00 C ATOM 1698 CZ3 TRP B 19 -10.263 -3.692 4.910 1.00 0.00 C ATOM 1699 CH2 TRP B 19 -10.055 -3.783 6.278 1.00 0.00 C ATOM 0 H TRP B 19 -4.329 -6.062 3.108 1.00 0.00 H new ATOM 0 HA TRP B 19 -7.143 -6.178 2.421 1.00 0.00 H new ATOM 0 HB2 TRP B 19 -5.194 -3.901 2.404 1.00 0.00 H new ATOM 0 HB3 TRP B 19 -6.867 -3.804 1.892 1.00 0.00 H new ATOM 0 HD1 TRP B 19 -4.735 -4.452 4.925 1.00 0.00 H new ATOM 0 HE1 TRP B 19 -6.065 -4.518 7.039 1.00 0.00 H new ATOM 0 HE3 TRP B 19 -9.386 -3.753 2.964 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 -8.652 -4.087 7.844 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 -11.259 -3.515 4.533 1.00 0.00 H new ATOM 0 HH2 TRP B 19 -10.891 -3.673 6.953 1.00 0.00 H new ATOM 1710 N PHE B 20 -4.683 -6.241 0.276 1.00 0.00 N ATOM 1711 CA PHE B 20 -4.301 -6.657 -1.036 1.00 0.00 C ATOM 1712 C PHE B 20 -4.906 -7.999 -1.360 1.00 0.00 C ATOM 1713 O PHE B 20 -5.519 -8.169 -2.416 1.00 0.00 O ATOM 1714 CB PHE B 20 -2.743 -6.647 -1.204 1.00 0.00 C ATOM 1715 CG PHE B 20 -2.091 -7.947 -1.645 1.00 0.00 C ATOM 1716 CD1 PHE B 20 -1.999 -8.311 -2.974 1.00 0.00 C ATOM 1717 CD2 PHE B 20 -1.590 -8.783 -0.706 1.00 0.00 C ATOM 1718 CE1 PHE B 20 -1.425 -9.501 -3.340 1.00 0.00 C ATOM 1719 CE2 PHE B 20 -1.014 -9.982 -1.048 1.00 0.00 C ATOM 1720 CZ PHE B 20 -0.933 -10.342 -2.371 1.00 0.00 C ATOM 0 H PHE B 20 -3.893 -6.059 0.895 1.00 0.00 H new ATOM 0 HA PHE B 20 -4.694 -5.940 -1.757 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -2.485 -5.875 -1.929 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -2.301 -6.351 -0.252 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -2.385 -7.649 -3.735 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -1.644 -8.501 0.335 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -1.360 -9.776 -4.383 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -0.627 -10.637 -0.282 1.00 0.00 H new ATOM 0 HZ PHE B 20 -0.484 -11.284 -2.649 1.00 0.00 H new ATOM 1730 N THR B 21 -4.680 -8.965 -0.509 1.00 0.00 N ATOM 1731 CA THR B 21 -5.178 -10.193 -0.683 1.00 0.00 C ATOM 1732 C THR B 21 -5.407 -10.922 0.662 1.00 0.00 C ATOM 1733 O THR B 21 -4.479 -11.370 1.341 1.00 0.00 O ATOM 1734 CB THR B 21 -4.284 -10.957 -1.677 1.00 0.00 C ATOM 1735 OG1 THR B 21 -4.712 -10.760 -3.040 1.00 0.00 O ATOM 1736 CG2 THR B 21 -4.134 -12.372 -1.335 1.00 0.00 C ATOM 0 H THR B 21 -4.118 -8.857 0.335 1.00 0.00 H new ATOM 0 HA THR B 21 -6.174 -10.133 -1.121 1.00 0.00 H new ATOM 0 HB THR B 21 -3.286 -10.527 -1.592 1.00 0.00 H new ATOM 0 HG1 THR B 21 -5.063 -9.851 -3.144 1.00 0.00 H new ATOM 0 HG21 THR B 21 -3.494 -12.858 -2.071 1.00 0.00 H new ATOM 0 HG22 THR B 21 -3.684 -12.462 -0.346 1.00 0.00 H new ATOM 0 HG23 THR B 21 -5.113 -12.851 -1.332 1.00 0.00 H new ATOM 1744 N GLU B 22 -6.586 -10.840 1.110 1.00 0.00 N ATOM 1745 CA GLU B 22 -7.102 -11.819 1.993 1.00 0.00 C ATOM 1746 C GLU B 22 -8.166 -12.484 1.128 1.00 0.00 C ATOM 1747 O GLU B 22 -8.359 -12.038 -0.015 1.00 0.00 O ATOM 1748 CB GLU B 22 -7.710 -11.209 3.264 1.00 0.00 C ATOM 1749 CG GLU B 22 -9.000 -10.464 3.031 1.00 0.00 C ATOM 1750 CD GLU B 22 -9.513 -9.755 4.247 1.00 0.00 C ATOM 1751 OE1 GLU B 22 -9.909 -10.415 5.223 1.00 0.00 O ATOM 1752 OE2 GLU B 22 -9.583 -8.516 4.217 1.00 0.00 O ATOM 0 H GLU B 22 -7.237 -10.089 0.880 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.340 -12.500 2.372 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -7.888 -12.005 3.987 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -6.985 -10.528 3.711 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -8.850 -9.737 2.233 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -9.758 -11.167 2.684 1.00 0.00 H new ATOM 1759 N ASP B 23 -8.814 -13.503 1.567 1.00 0.00 N ATOM 1760 CA ASP B 23 -9.867 -14.087 0.754 1.00 0.00 C ATOM 1761 C ASP B 23 -11.120 -13.230 0.920 1.00 0.00 C ATOM 1762 O ASP B 23 -11.693 -13.177 2.008 1.00 0.00 O ATOM 1763 CB ASP B 23 -10.128 -15.542 1.138 1.00 0.00 C ATOM 1764 CG ASP B 23 -11.121 -16.215 0.224 1.00 0.00 C ATOM 1765 OD1 ASP B 23 -12.333 -16.070 0.433 1.00 0.00 O ATOM 1766 OD2 ASP B 23 -10.700 -16.907 -0.735 1.00 0.00 O ATOM 0 H ASP B 23 -8.652 -13.957 2.466 1.00 0.00 H new ATOM 0 HA ASP B 23 -9.564 -14.099 -0.293 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -9.188 -16.094 1.116 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -10.498 -15.583 2.163 1.00 0.00 H new ATOM 1771 N PRO B 24 -11.541 -12.520 -0.146 1.00 0.00 N ATOM 1772 CA PRO B 24 -12.637 -11.535 -0.085 1.00 0.00 C ATOM 1773 C PRO B 24 -14.052 -12.118 -0.116 1.00 0.00 C ATOM 1774 O PRO B 24 -15.014 -11.425 -0.493 1.00 0.00 O ATOM 1775 CB PRO B 24 -12.394 -10.678 -1.315 1.00 0.00 C ATOM 1776 CG PRO B 24 -11.750 -11.592 -2.302 1.00 0.00 C ATOM 1777 CD PRO B 24 -10.966 -12.604 -1.510 1.00 0.00 C ATOM 0 HA PRO B 24 -12.614 -11.006 0.867 1.00 0.00 H new ATOM 0 HB2 PRO B 24 -13.328 -10.272 -1.704 1.00 0.00 H new ATOM 0 HB3 PRO B 24 -11.750 -9.830 -1.084 1.00 0.00 H new ATOM 0 HG2 PRO B 24 -12.501 -12.083 -2.921 1.00 0.00 H new ATOM 0 HG3 PRO B 24 -11.096 -11.036 -2.974 1.00 0.00 H new ATOM 0 HD2 PRO B 24 -11.073 -13.606 -1.927 1.00 0.00 H new ATOM 0 HD3 PRO B 24 -9.901 -12.371 -1.509 1.00 0.00 H new ATOM 1785 N GLY B 25 -14.186 -13.333 0.283 1.00 0.00 N ATOM 1786 CA GLY B 25 -15.481 -13.923 0.343 1.00 0.00 C ATOM 1787 C GLY B 25 -15.824 -14.216 1.764 1.00 0.00 C ATOM 1788 O GLY B 25 -14.904 -14.549 2.537 1.00 0.00 O ATOM 1789 OXT GLY B 25 -16.986 -14.073 2.159 1.00 0.00 O ATOM 0 H GLY B 25 -13.418 -13.939 0.573 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -16.220 -13.249 -0.090 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -15.503 -14.841 -0.245 1.00 0.00 H new TER 1793 GLY B 25