USER MOD reduce.3.24.130724 H: found=0, std=0, add=1614, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1614 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 7 THR OG1 : rot 73:sc= -1.82! USER MOD Set 1.2: B 45 GLN : amide:sc= -15.1! C(o=-17!,f=-20!) USER MOD Set 1.3: B 85 LYS NZ :NH3+ -123:sc= 0.373 (180deg=-0.178) USER MOD Set 2.1: B 66 ASN : amide:sc= -3.53! C(o=-7.3!,f=-9!) USER MOD Set 2.2: B 69 SER OG : rot 1:sc= -3.75 USER MOD Set 3.1: A 15 THR OG1 : rot -145:sc= 0.529 USER MOD Set 3.2: B 15 THR OG1 : rot 151:sc= 0.586 USER MOD Set 4.1: A 45 GLN : amide:sc= -14.5! C(o=-16!,f=-20!) USER MOD Set 4.2: A 85 LYS NZ :NH3+ -131:sc= 0.441 (180deg=-0.077) USER MOD Set 4.3: B 7 THR OG1 : rot 76:sc= -1.82! USER MOD Set 5.1: A 66 ASN : amide:sc= -3.26 K(o=-7.7,f=-9.3!) USER MOD Set 5.2: A 69 SER OG : rot -19:sc= -4.42! USER MOD Single : A 1 MET CE :methyl -124:sc= -6.3! (180deg=-11!) USER MOD Single : A 1 MET N :NH3+ -143:sc= -0.297 (180deg=-0.97) USER MOD Single : A 5 THR OG1 : rot 89:sc= -2.09 USER MOD Single : A 18 SER OG : rot 80:sc= 1.14 USER MOD Single : A 19 THR OG1 : rot -10:sc= -0.379! USER MOD Single : A 22 THR OG1 : rot -89:sc= 1.27 USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= -0.0357 (180deg=-0.321) USER MOD Single : A 32 SER OG : rot -99:sc= 0.466 USER MOD Single : A 34 ASN : amide:sc= -0.729 K(o=-0.73,f=-2.2!) USER MOD Single : A 36 ASN : amide:sc= -1.26 K(o=-1.3,f=-3.2) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -95:sc= -2.18! USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 HIS : no HD1:sc= -8.05! C(o=-8!,f=-11!) USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= -0.241 (180deg=-0.458) USER MOD Single : A 55 SER OG : rot 144:sc= -0.219! USER MOD Single : A 59 LYS NZ :NH3+ -139:sc= -0.742 (180deg=-2.37) USER MOD Single : A 60 MET CE :methyl 168:sc= -1.47 (180deg=-1.88!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 72:sc= 0.0185 USER MOD Single : A 67 GLN : amide:sc= -4.87! K(o=-4.9!,f=-2) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0179 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -119:sc= -3.73! (180deg=-8.96!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -118:sc= 1.04 (180deg=-3.09!) USER MOD Single : A 98 LYS NZ :NH3+ 166:sc= 0.9 (180deg=0.519) USER MOD Single : B 1 MET CE :methyl -124:sc= -7.11! (180deg=-13.9!) USER MOD Single : B 1 MET N :NH3+ -129:sc= -0.0453 (180deg=-0.418) USER MOD Single : B 5 THR OG1 : rot 79:sc= -1.89 USER MOD Single : B 18 SER OG : rot 109:sc= 1.21 USER MOD Single : B 19 THR OG1 : rot -8:sc= -1.26! USER MOD Single : B 22 THR OG1 : rot -74:sc= 1.26 USER MOD Single : B 30 LYS NZ :NH3+ 165:sc= -0.0611 (180deg=-0.34) USER MOD Single : B 32 SER OG : rot 154:sc= 0.34 USER MOD Single : B 34 ASN : amide:sc= -1.03 K(o=-1,f=-2.6!) USER MOD Single : B 36 ASN : amide:sc= -1.33 K(o=-1.3,f=-3.8) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 THR OG1 : rot -87:sc= -3.26! USER MOD Single : B 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 48 HIS : no HD1:sc= -8.36! C(o=-8.4!,f=-12!) USER MOD Single : B 51 LYS NZ :NH3+ -169:sc= -0.253 (180deg=-0.4) USER MOD Single : B 55 SER OG : rot 127:sc= -0.392! USER MOD Single : B 59 LYS NZ :NH3+ -142:sc= -0.378 (180deg=-2.15) USER MOD Single : B 60 MET CE :methyl 171:sc= -1.64 (180deg=-2.05!) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 THR OG1 : rot 76:sc=-0.00376 USER MOD Single : B 67 GLN : amide:sc= -4.64! K(o=-4.6!,f=-1.9) USER MOD Single : B 74 SER OG : rot 180:sc= -0.0588 USER MOD Single : B 76 TYR OH : rot 180:sc= 0 USER MOD Single : B 89 LYS NZ :NH3+ -112:sc= -3.72! (180deg=-9.11!) USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 LYS NZ :NH3+ -116:sc= 0.979 (180deg=-3.2!) USER MOD Single : B 98 LYS NZ :NH3+ 166:sc= 1.03 (180deg=0.708) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.596 4.261 -2.936 1.00 0.64 N ATOM 2 CA MET A 1 -17.755 5.478 -3.070 1.00 0.59 C ATOM 3 C MET A 1 -16.514 5.207 -3.904 1.00 0.60 C ATOM 4 O MET A 1 -16.220 4.065 -4.256 1.00 0.61 O ATOM 5 CB MET A 1 -17.324 6.000 -1.697 1.00 0.57 C ATOM 6 CG MET A 1 -18.135 7.203 -1.182 1.00 0.61 C ATOM 7 SD MET A 1 -19.886 7.165 -1.639 1.00 0.96 S ATOM 8 CE MET A 1 -20.157 8.881 -2.067 1.00 1.17 C ATOM 0 H1 MET A 1 -19.601 4.529 -2.959 1.00 0.64 H new ATOM 0 H2 MET A 1 -18.393 3.611 -3.722 1.00 0.64 H new ATOM 0 H3 MET A 1 -18.384 3.790 -2.033 1.00 0.64 H new ATOM 0 HA MET A 1 -18.364 6.230 -3.572 1.00 0.59 H new ATOM 0 HB2 MET A 1 -17.404 5.189 -0.974 1.00 0.57 H new ATOM 0 HB3 MET A 1 -16.272 6.282 -1.744 1.00 0.57 H new ATOM 0 HG2 MET A 1 -18.055 7.243 -0.096 1.00 0.61 H new ATOM 0 HG3 MET A 1 -17.690 8.120 -1.568 1.00 0.61 H new ATOM 0 HE1 MET A 1 -20.976 9.280 -1.468 1.00 1.17 H new ATOM 0 HE2 MET A 1 -19.250 9.453 -1.869 1.00 1.17 H new ATOM 0 HE3 MET A 1 -20.410 8.957 -3.124 1.00 1.17 H new ATOM 20 N ALA A 2 -15.792 6.274 -4.211 1.00 0.62 N ATOM 21 CA ALA A 2 -14.573 6.167 -4.990 1.00 0.65 C ATOM 22 C ALA A 2 -13.344 6.475 -4.153 1.00 0.62 C ATOM 23 O ALA A 2 -13.437 7.100 -3.097 1.00 0.72 O ATOM 24 CB ALA A 2 -14.617 7.088 -6.201 1.00 0.73 C ATOM 0 H ALA A 2 -16.032 7.225 -3.931 1.00 0.62 H new ATOM 0 HA ALA A 2 -14.503 5.135 -5.333 1.00 0.65 H new ATOM 0 HB1 ALA A 2 -13.691 6.988 -6.768 1.00 0.73 H new ATOM 0 HB2 ALA A 2 -15.461 6.816 -6.834 1.00 0.73 H new ATOM 0 HB3 ALA A 2 -14.730 8.120 -5.869 1.00 0.73 H new ATOM 30 N ALA A 3 -12.189 6.029 -4.631 1.00 0.73 N ATOM 31 CA ALA A 3 -10.941 6.280 -3.936 1.00 0.76 C ATOM 32 C ALA A 3 -10.599 7.754 -4.024 1.00 0.66 C ATOM 33 O ALA A 3 -9.735 8.160 -4.800 1.00 0.81 O ATOM 34 CB ALA A 3 -9.820 5.438 -4.527 1.00 1.06 C ATOM 0 H ALA A 3 -12.094 5.494 -5.494 1.00 0.73 H new ATOM 0 HA ALA A 3 -11.056 6.002 -2.888 1.00 0.76 H new ATOM 0 HB1 ALA A 3 -8.892 5.641 -3.992 1.00 1.06 H new ATOM 0 HB2 ALA A 3 -10.070 4.381 -4.433 1.00 1.06 H new ATOM 0 HB3 ALA A 3 -9.694 5.688 -5.580 1.00 1.06 H new ATOM 40 N GLU A 4 -11.292 8.555 -3.226 1.00 0.63 N ATOM 41 CA GLU A 4 -11.068 9.986 -3.222 1.00 0.75 C ATOM 42 C GLU A 4 -9.693 10.291 -2.617 1.00 0.74 C ATOM 43 O GLU A 4 -8.680 9.914 -3.206 1.00 0.85 O ATOM 44 CB GLU A 4 -12.222 10.687 -2.500 1.00 0.97 C ATOM 45 CG GLU A 4 -12.397 12.137 -2.910 1.00 1.44 C ATOM 46 CD GLU A 4 -11.409 13.075 -2.255 1.00 2.42 C ATOM 47 OE1 GLU A 4 -11.670 13.498 -1.111 1.00 3.20 O ATOM 48 OE2 GLU A 4 -10.377 13.388 -2.882 1.00 3.03 O ATOM 0 H GLU A 4 -12.011 8.235 -2.577 1.00 0.63 H new ATOM 0 HA GLU A 4 -11.055 10.376 -4.240 1.00 0.75 H new ATOM 0 HB2 GLU A 4 -13.147 10.147 -2.699 1.00 0.97 H new ATOM 0 HB3 GLU A 4 -12.050 10.639 -1.425 1.00 0.97 H new ATOM 0 HG2 GLU A 4 -12.296 12.214 -3.993 1.00 1.44 H new ATOM 0 HG3 GLU A 4 -13.409 12.457 -2.661 1.00 1.44 H new ATOM 55 N THR A 5 -9.619 10.961 -1.468 1.00 0.69 N ATOM 56 CA THR A 5 -8.323 11.239 -0.878 1.00 0.74 C ATOM 57 C THR A 5 -7.810 10.047 -0.049 1.00 0.61 C ATOM 58 O THR A 5 -8.120 8.897 -0.359 1.00 0.78 O ATOM 59 CB THR A 5 -8.360 12.505 -0.022 1.00 0.93 C ATOM 60 OG1 THR A 5 -9.341 13.415 -0.523 1.00 1.43 O ATOM 61 CG2 THR A 5 -6.990 13.162 -0.027 1.00 1.09 C ATOM 0 H THR A 5 -10.421 11.311 -0.943 1.00 0.69 H new ATOM 0 HA THR A 5 -7.628 11.403 -1.701 1.00 0.74 H new ATOM 0 HB THR A 5 -8.628 12.235 1.000 1.00 0.93 H new ATOM 0 HG1 THR A 5 -10.205 13.230 -0.100 1.00 1.43 H new ATOM 0 HG21 THR A 5 -7.017 14.065 0.583 1.00 1.09 H new ATOM 0 HG22 THR A 5 -6.253 12.470 0.381 1.00 1.09 H new ATOM 0 HG23 THR A 5 -6.716 13.423 -1.049 1.00 1.09 H new ATOM 69 N LEU A 6 -7.030 10.323 1.004 1.00 0.54 N ATOM 70 CA LEU A 6 -6.467 9.290 1.844 1.00 0.50 C ATOM 71 C LEU A 6 -7.536 8.595 2.671 1.00 0.49 C ATOM 72 O LEU A 6 -8.050 9.160 3.633 1.00 0.56 O ATOM 73 CB LEU A 6 -5.441 9.912 2.790 1.00 0.61 C ATOM 74 CG LEU A 6 -4.152 10.412 2.149 1.00 0.75 C ATOM 75 CD1 LEU A 6 -4.216 11.915 1.929 1.00 1.15 C ATOM 76 CD2 LEU A 6 -2.967 10.052 3.025 1.00 1.07 C ATOM 0 H LEU A 6 -6.779 11.270 1.287 1.00 0.54 H new ATOM 0 HA LEU A 6 -5.998 8.550 1.196 1.00 0.50 H new ATOM 0 HB2 LEU A 6 -5.913 10.748 3.307 1.00 0.61 H new ATOM 0 HB3 LEU A 6 -5.182 9.173 3.549 1.00 0.61 H new ATOM 0 HG LEU A 6 -4.031 9.931 1.179 1.00 0.75 H new ATOM 0 HD11 LEU A 6 -3.288 12.255 1.471 1.00 1.15 H new ATOM 0 HD12 LEU A 6 -5.053 12.151 1.272 1.00 1.15 H new ATOM 0 HD13 LEU A 6 -4.353 12.417 2.887 1.00 1.15 H new ATOM 0 HD21 LEU A 6 -2.049 10.412 2.561 1.00 1.07 H new ATOM 0 HD22 LEU A 6 -3.085 10.515 4.005 1.00 1.07 H new ATOM 0 HD23 LEU A 6 -2.915 8.969 3.140 1.00 1.07 H new ATOM 88 N THR A 7 -7.871 7.368 2.313 1.00 0.50 N ATOM 89 CA THR A 7 -8.856 6.634 3.080 1.00 0.54 C ATOM 90 C THR A 7 -8.230 6.160 4.377 1.00 0.48 C ATOM 91 O THR A 7 -7.031 6.302 4.579 1.00 0.54 O ATOM 92 CB THR A 7 -9.418 5.414 2.319 1.00 0.62 C ATOM 93 OG1 THR A 7 -8.922 5.400 0.977 1.00 0.85 O ATOM 94 CG2 THR A 7 -10.947 5.418 2.312 1.00 0.83 C ATOM 0 H THR A 7 -7.484 6.869 1.512 1.00 0.50 H new ATOM 0 HA THR A 7 -9.687 7.313 3.270 1.00 0.54 H new ATOM 0 HB THR A 7 -9.085 4.514 2.836 1.00 0.62 H new ATOM 0 HG1 THR A 7 -7.977 5.140 0.980 1.00 0.85 H new ATOM 0 HG21 THR A 7 -11.311 4.546 1.768 1.00 0.83 H new ATOM 0 HG22 THR A 7 -11.316 5.386 3.337 1.00 0.83 H new ATOM 0 HG23 THR A 7 -11.306 6.325 1.825 1.00 0.83 H new ATOM 102 N GLU A 8 -9.033 5.564 5.240 1.00 0.45 N ATOM 103 CA GLU A 8 -8.542 5.067 6.530 1.00 0.44 C ATOM 104 C GLU A 8 -7.185 4.373 6.393 1.00 0.41 C ATOM 105 O GLU A 8 -6.396 4.335 7.337 1.00 0.42 O ATOM 106 CB GLU A 8 -9.537 4.090 7.153 1.00 0.50 C ATOM 107 CG GLU A 8 -10.991 4.501 7.006 1.00 0.52 C ATOM 108 CD GLU A 8 -11.250 5.917 7.486 1.00 1.09 C ATOM 109 OE1 GLU A 8 -11.483 6.100 8.699 1.00 1.94 O ATOM 110 OE2 GLU A 8 -11.217 6.843 6.647 1.00 1.67 O ATOM 0 H GLU A 8 -10.028 5.409 5.079 1.00 0.45 H new ATOM 0 HA GLU A 8 -8.427 5.937 7.177 1.00 0.44 H new ATOM 0 HB2 GLU A 8 -9.401 3.110 6.696 1.00 0.50 H new ATOM 0 HB3 GLU A 8 -9.307 3.982 8.213 1.00 0.50 H new ATOM 0 HG2 GLU A 8 -11.284 4.417 5.960 1.00 0.52 H new ATOM 0 HG3 GLU A 8 -11.618 3.810 7.569 1.00 0.52 H new ATOM 117 N LEU A 9 -6.925 3.831 5.209 1.00 0.41 N ATOM 118 CA LEU A 9 -5.683 3.130 4.936 1.00 0.40 C ATOM 119 C LEU A 9 -4.449 4.008 5.159 1.00 0.38 C ATOM 120 O LEU A 9 -3.372 3.491 5.451 1.00 0.39 O ATOM 121 CB LEU A 9 -5.705 2.641 3.494 1.00 0.45 C ATOM 122 CG LEU A 9 -6.982 1.906 3.078 1.00 0.57 C ATOM 123 CD1 LEU A 9 -6.782 1.181 1.754 1.00 0.93 C ATOM 124 CD2 LEU A 9 -7.435 0.941 4.167 1.00 0.92 C ATOM 0 H LEU A 9 -7.567 3.866 4.417 1.00 0.41 H new ATOM 0 HA LEU A 9 -5.611 2.295 5.633 1.00 0.40 H new ATOM 0 HB2 LEU A 9 -5.565 3.497 2.834 1.00 0.45 H new ATOM 0 HB3 LEU A 9 -4.855 1.977 3.339 1.00 0.45 H new ATOM 0 HG LEU A 9 -7.769 2.647 2.940 1.00 0.57 H new ATOM 0 HD11 LEU A 9 -7.702 0.666 1.479 1.00 0.93 H new ATOM 0 HD12 LEU A 9 -6.524 1.903 0.979 1.00 0.93 H new ATOM 0 HD13 LEU A 9 -5.976 0.454 1.855 1.00 0.93 H new ATOM 0 HD21 LEU A 9 -8.344 0.432 3.847 1.00 0.92 H new ATOM 0 HD22 LEU A 9 -6.652 0.205 4.350 1.00 0.92 H new ATOM 0 HD23 LEU A 9 -7.634 1.495 5.084 1.00 0.92 H new ATOM 136 N GLU A 10 -4.596 5.330 5.028 1.00 0.38 N ATOM 137 CA GLU A 10 -3.460 6.236 5.235 1.00 0.39 C ATOM 138 C GLU A 10 -2.855 5.966 6.603 1.00 0.38 C ATOM 139 O GLU A 10 -1.654 6.126 6.813 1.00 0.40 O ATOM 140 CB GLU A 10 -3.894 7.694 5.128 1.00 0.46 C ATOM 141 CG GLU A 10 -5.275 7.959 5.688 1.00 0.45 C ATOM 142 CD GLU A 10 -5.319 9.179 6.588 1.00 0.56 C ATOM 143 OE1 GLU A 10 -5.499 10.298 6.063 1.00 1.16 O ATOM 144 OE2 GLU A 10 -5.172 9.014 7.818 1.00 1.27 O ATOM 0 H GLU A 10 -5.473 5.791 4.784 1.00 0.38 H new ATOM 0 HA GLU A 10 -2.716 6.055 4.459 1.00 0.39 H new ATOM 0 HB2 GLU A 10 -3.172 8.319 5.654 1.00 0.46 H new ATOM 0 HB3 GLU A 10 -3.872 7.995 4.081 1.00 0.46 H new ATOM 0 HG2 GLU A 10 -5.976 8.095 4.865 1.00 0.45 H new ATOM 0 HG3 GLU A 10 -5.608 7.086 6.250 1.00 0.45 H new ATOM 151 N ALA A 11 -3.707 5.561 7.539 1.00 0.39 N ATOM 152 CA ALA A 11 -3.250 5.223 8.876 1.00 0.39 C ATOM 153 C ALA A 11 -2.230 4.104 8.771 1.00 0.36 C ATOM 154 O ALA A 11 -1.280 4.026 9.548 1.00 0.39 O ATOM 155 CB ALA A 11 -4.417 4.796 9.754 1.00 0.42 C ATOM 0 H ALA A 11 -4.712 5.460 7.395 1.00 0.39 H new ATOM 0 HA ALA A 11 -2.793 6.099 9.336 1.00 0.39 H new ATOM 0 HB1 ALA A 11 -4.051 4.548 10.750 1.00 0.42 H new ATOM 0 HB2 ALA A 11 -5.137 5.612 9.825 1.00 0.42 H new ATOM 0 HB3 ALA A 11 -4.901 3.922 9.317 1.00 0.42 H new ATOM 161 N ALA A 12 -2.451 3.237 7.786 1.00 0.33 N ATOM 162 CA ALA A 12 -1.554 2.123 7.529 1.00 0.33 C ATOM 163 C ALA A 12 -0.242 2.631 6.957 1.00 0.33 C ATOM 164 O ALA A 12 0.824 2.089 7.246 1.00 0.34 O ATOM 165 CB ALA A 12 -2.202 1.125 6.582 1.00 0.34 C ATOM 0 H ALA A 12 -3.249 3.289 7.152 1.00 0.33 H new ATOM 0 HA ALA A 12 -1.349 1.614 8.471 1.00 0.33 H new ATOM 0 HB1 ALA A 12 -1.516 0.297 6.401 1.00 0.34 H new ATOM 0 HB2 ALA A 12 -3.121 0.744 7.028 1.00 0.34 H new ATOM 0 HB3 ALA A 12 -2.434 1.617 5.638 1.00 0.34 H new ATOM 171 N ILE A 13 -0.326 3.682 6.141 1.00 0.36 N ATOM 172 CA ILE A 13 0.867 4.275 5.558 1.00 0.40 C ATOM 173 C ILE A 13 1.856 4.634 6.672 1.00 0.39 C ATOM 174 O ILE A 13 3.058 4.746 6.435 1.00 0.42 O ATOM 175 CB ILE A 13 0.527 5.524 4.693 1.00 0.47 C ATOM 176 CG1 ILE A 13 -0.037 5.090 3.337 1.00 0.90 C ATOM 177 CG2 ILE A 13 1.747 6.420 4.480 1.00 0.99 C ATOM 178 CD1 ILE A 13 -1.110 4.026 3.427 1.00 2.05 C ATOM 0 H ILE A 13 -1.201 4.133 5.874 1.00 0.36 H new ATOM 0 HA ILE A 13 1.325 3.543 4.892 1.00 0.40 H new ATOM 0 HB ILE A 13 -0.222 6.101 5.235 1.00 0.47 H new ATOM 0 HG12 ILE A 13 -0.448 5.963 2.830 1.00 0.90 H new ATOM 0 HG13 ILE A 13 0.779 4.717 2.719 1.00 0.90 H new ATOM 0 HG21 ILE A 13 1.465 7.279 3.872 1.00 0.99 H new ATOM 0 HG22 ILE A 13 2.118 6.765 5.445 1.00 0.99 H new ATOM 0 HG23 ILE A 13 2.529 5.856 3.971 1.00 0.99 H new ATOM 0 HD11 ILE A 13 -1.457 3.774 2.425 1.00 2.05 H new ATOM 0 HD12 ILE A 13 -0.700 3.136 3.904 1.00 2.05 H new ATOM 0 HD13 ILE A 13 -1.946 4.401 4.017 1.00 2.05 H new ATOM 190 N GLU A 14 1.331 4.814 7.887 1.00 0.39 N ATOM 191 CA GLU A 14 2.153 5.151 9.042 1.00 0.42 C ATOM 192 C GLU A 14 3.034 3.976 9.456 1.00 0.38 C ATOM 193 O GLU A 14 4.165 4.170 9.901 1.00 0.46 O ATOM 194 CB GLU A 14 1.268 5.578 10.213 1.00 0.46 C ATOM 195 CG GLU A 14 0.400 6.788 9.908 1.00 0.79 C ATOM 196 CD GLU A 14 -0.458 7.204 11.087 1.00 1.46 C ATOM 197 OE1 GLU A 14 -1.496 6.551 11.325 1.00 2.25 O ATOM 198 OE2 GLU A 14 -0.091 8.181 11.774 1.00 2.02 O ATOM 0 H GLU A 14 0.335 4.730 8.092 1.00 0.39 H new ATOM 0 HA GLU A 14 2.803 5.980 8.761 1.00 0.42 H new ATOM 0 HB2 GLU A 14 0.627 4.743 10.497 1.00 0.46 H new ATOM 0 HB3 GLU A 14 1.900 5.801 11.073 1.00 0.46 H new ATOM 0 HG2 GLU A 14 1.037 7.623 9.615 1.00 0.79 H new ATOM 0 HG3 GLU A 14 -0.243 6.564 9.057 1.00 0.79 H new ATOM 205 N THR A 15 2.517 2.755 9.317 1.00 0.30 N ATOM 206 CA THR A 15 3.291 1.571 9.675 1.00 0.28 C ATOM 207 C THR A 15 4.402 1.356 8.662 1.00 0.29 C ATOM 208 O THR A 15 5.587 1.394 8.992 1.00 0.35 O ATOM 209 CB THR A 15 2.421 0.302 9.717 1.00 0.28 C ATOM 210 OG1 THR A 15 1.351 0.456 10.655 1.00 0.29 O ATOM 211 CG2 THR A 15 3.254 -0.914 10.090 1.00 0.32 C ATOM 0 H THR A 15 1.579 2.563 8.964 1.00 0.30 H new ATOM 0 HA THR A 15 3.700 1.745 10.670 1.00 0.28 H new ATOM 0 HB THR A 15 2.004 0.151 8.721 1.00 0.28 H new ATOM 0 HG1 THR A 15 1.168 -0.404 11.087 1.00 0.29 H new ATOM 0 HG21 THR A 15 2.617 -1.798 10.113 1.00 0.32 H new ATOM 0 HG22 THR A 15 4.043 -1.055 9.352 1.00 0.32 H new ATOM 0 HG23 THR A 15 3.700 -0.762 11.073 1.00 0.32 H new ATOM 219 N VAL A 16 3.993 1.139 7.419 1.00 0.27 N ATOM 220 CA VAL A 16 4.916 0.918 6.315 1.00 0.28 C ATOM 221 C VAL A 16 6.087 1.894 6.364 1.00 0.30 C ATOM 222 O VAL A 16 7.245 1.497 6.234 1.00 0.36 O ATOM 223 CB VAL A 16 4.172 1.063 4.975 1.00 0.30 C ATOM 224 CG1 VAL A 16 3.464 2.405 4.908 1.00 0.33 C ATOM 225 CG2 VAL A 16 5.112 0.900 3.792 1.00 0.33 C ATOM 0 H VAL A 16 3.010 1.111 7.148 1.00 0.27 H new ATOM 0 HA VAL A 16 5.315 -0.092 6.406 1.00 0.28 H new ATOM 0 HB VAL A 16 3.430 0.267 4.919 1.00 0.30 H new ATOM 0 HG11 VAL A 16 2.942 2.494 3.955 1.00 0.33 H new ATOM 0 HG12 VAL A 16 2.745 2.478 5.724 1.00 0.33 H new ATOM 0 HG13 VAL A 16 4.196 3.208 4.997 1.00 0.33 H new ATOM 0 HG21 VAL A 16 4.551 1.009 2.864 1.00 0.33 H new ATOM 0 HG22 VAL A 16 5.890 1.662 3.837 1.00 0.33 H new ATOM 0 HG23 VAL A 16 5.571 -0.088 3.825 1.00 0.33 H new ATOM 235 N VAL A 17 5.779 3.170 6.550 1.00 0.31 N ATOM 236 CA VAL A 17 6.813 4.188 6.628 1.00 0.33 C ATOM 237 C VAL A 17 7.671 3.956 7.869 1.00 0.30 C ATOM 238 O VAL A 17 8.874 4.215 7.877 1.00 0.32 O ATOM 239 CB VAL A 17 6.214 5.606 6.691 1.00 0.43 C ATOM 240 CG1 VAL A 17 5.395 5.789 7.958 1.00 0.45 C ATOM 241 CG2 VAL A 17 7.315 6.653 6.604 1.00 0.50 C ATOM 0 H VAL A 17 4.827 3.522 6.649 1.00 0.31 H new ATOM 0 HA VAL A 17 7.420 4.111 5.726 1.00 0.33 H new ATOM 0 HB VAL A 17 5.549 5.736 5.837 1.00 0.43 H new ATOM 0 HG11 VAL A 17 4.982 6.797 7.982 1.00 0.45 H new ATOM 0 HG12 VAL A 17 4.582 5.063 7.974 1.00 0.45 H new ATOM 0 HG13 VAL A 17 6.033 5.638 8.829 1.00 0.45 H new ATOM 0 HG21 VAL A 17 6.874 7.649 6.650 1.00 0.50 H new ATOM 0 HG22 VAL A 17 8.007 6.523 7.436 1.00 0.50 H new ATOM 0 HG23 VAL A 17 7.853 6.538 5.663 1.00 0.50 H new ATOM 251 N SER A 18 7.019 3.477 8.926 1.00 0.33 N ATOM 252 CA SER A 18 7.680 3.195 10.196 1.00 0.40 C ATOM 253 C SER A 18 8.358 1.821 10.209 1.00 0.44 C ATOM 254 O SER A 18 9.028 1.470 11.178 1.00 0.59 O ATOM 255 CB SER A 18 6.668 3.279 11.340 1.00 0.51 C ATOM 256 OG SER A 18 6.092 4.571 11.419 1.00 1.32 O ATOM 0 H SER A 18 6.019 3.274 8.925 1.00 0.33 H new ATOM 0 HA SER A 18 8.459 3.946 10.328 1.00 0.40 H new ATOM 0 HB2 SER A 18 5.884 2.537 11.191 1.00 0.51 H new ATOM 0 HB3 SER A 18 7.160 3.039 12.283 1.00 0.51 H new ATOM 0 HG SER A 18 5.387 4.657 10.744 1.00 1.32 H new ATOM 262 N THR A 19 8.105 1.006 9.188 1.00 0.37 N ATOM 263 CA THR A 19 8.719 -0.322 9.109 1.00 0.44 C ATOM 264 C THR A 19 10.106 -0.326 8.431 1.00 0.46 C ATOM 265 O THR A 19 11.122 -0.049 9.067 1.00 0.54 O ATOM 266 CB THR A 19 7.784 -1.349 8.426 1.00 0.45 C ATOM 267 OG1 THR A 19 7.407 -0.904 7.113 1.00 0.42 O ATOM 268 CG2 THR A 19 6.536 -1.589 9.267 1.00 0.49 C ATOM 0 H THR A 19 7.486 1.236 8.410 1.00 0.37 H new ATOM 0 HA THR A 19 8.875 -0.623 10.145 1.00 0.44 H new ATOM 0 HB THR A 19 8.332 -2.287 8.335 1.00 0.45 H new ATOM 0 HG1 THR A 19 7.691 0.026 6.989 1.00 0.42 H new ATOM 0 HG21 THR A 19 5.894 -2.314 8.767 1.00 0.49 H new ATOM 0 HG22 THR A 19 6.825 -1.974 10.245 1.00 0.49 H new ATOM 0 HG23 THR A 19 5.995 -0.651 9.391 1.00 0.49 H new ATOM 276 N PHE A 20 10.123 -0.647 7.132 1.00 0.45 N ATOM 277 CA PHE A 20 11.353 -0.742 6.336 1.00 0.54 C ATOM 278 C PHE A 20 11.769 0.623 5.865 1.00 0.52 C ATOM 279 O PHE A 20 12.948 0.902 5.669 1.00 0.64 O ATOM 280 CB PHE A 20 11.128 -1.744 5.183 1.00 0.60 C ATOM 281 CG PHE A 20 11.434 -1.272 3.778 1.00 0.72 C ATOM 282 CD1 PHE A 20 12.690 -0.795 3.429 1.00 1.60 C ATOM 283 CD2 PHE A 20 10.452 -1.332 2.801 1.00 1.26 C ATOM 284 CE1 PHE A 20 12.952 -0.387 2.134 1.00 1.77 C ATOM 285 CE2 PHE A 20 10.713 -0.928 1.507 1.00 1.37 C ATOM 286 CZ PHE A 20 11.964 -0.454 1.173 1.00 1.18 C ATOM 0 H PHE A 20 9.277 -0.850 6.599 1.00 0.45 H new ATOM 0 HA PHE A 20 12.178 -1.120 6.940 1.00 0.54 H new ATOM 0 HB2 PHE A 20 11.736 -2.627 5.381 1.00 0.60 H new ATOM 0 HB3 PHE A 20 10.086 -2.061 5.212 1.00 0.60 H new ATOM 0 HD1 PHE A 20 13.469 -0.742 4.175 1.00 1.60 H new ATOM 0 HD2 PHE A 20 9.469 -1.700 3.056 1.00 1.26 H new ATOM 0 HE1 PHE A 20 13.932 -0.015 1.874 1.00 1.77 H new ATOM 0 HE2 PHE A 20 9.938 -0.983 0.757 1.00 1.37 H new ATOM 0 HZ PHE A 20 12.170 -0.136 0.162 1.00 1.18 H new ATOM 296 N PHE A 21 10.786 1.467 5.684 1.00 0.44 N ATOM 297 CA PHE A 21 11.030 2.819 5.292 1.00 0.47 C ATOM 298 C PHE A 21 11.883 3.490 6.366 1.00 0.49 C ATOM 299 O PHE A 21 12.528 4.502 6.141 1.00 0.62 O ATOM 300 CB PHE A 21 9.686 3.521 5.089 1.00 0.48 C ATOM 301 CG PHE A 21 8.940 3.084 3.846 1.00 0.45 C ATOM 302 CD1 PHE A 21 9.309 1.933 3.158 1.00 1.16 C ATOM 303 CD2 PHE A 21 7.848 3.811 3.378 1.00 1.39 C ATOM 304 CE1 PHE A 21 8.607 1.529 2.034 1.00 1.13 C ATOM 305 CE2 PHE A 21 7.148 3.402 2.264 1.00 1.44 C ATOM 306 CZ PHE A 21 7.527 2.262 1.591 1.00 0.54 C ATOM 0 H PHE A 21 9.801 1.232 5.805 1.00 0.44 H new ATOM 0 HA PHE A 21 11.577 2.872 4.350 1.00 0.47 H new ATOM 0 HB2 PHE A 21 9.057 3.337 5.960 1.00 0.48 H new ATOM 0 HB3 PHE A 21 9.854 4.597 5.039 1.00 0.48 H new ATOM 0 HD1 PHE A 21 10.150 1.349 3.503 1.00 1.16 H new ATOM 0 HD2 PHE A 21 7.545 4.709 3.896 1.00 1.39 H new ATOM 0 HE1 PHE A 21 8.907 0.637 1.503 1.00 1.13 H new ATOM 0 HE2 PHE A 21 6.301 3.976 1.918 1.00 1.44 H new ATOM 0 HZ PHE A 21 6.979 1.943 0.717 1.00 0.54 H new ATOM 316 N THR A 22 11.920 2.903 7.549 1.00 0.47 N ATOM 317 CA THR A 22 12.755 3.468 8.592 1.00 0.54 C ATOM 318 C THR A 22 14.206 3.527 8.119 1.00 0.49 C ATOM 319 O THR A 22 15.011 4.299 8.640 1.00 0.54 O ATOM 320 CB THR A 22 12.673 2.647 9.876 1.00 0.66 C ATOM 321 OG1 THR A 22 13.224 1.361 9.652 1.00 0.66 O ATOM 322 CG2 THR A 22 11.240 2.533 10.329 1.00 0.81 C ATOM 0 H THR A 22 11.401 2.064 7.806 1.00 0.47 H new ATOM 0 HA THR A 22 12.392 4.474 8.804 1.00 0.54 H new ATOM 0 HB THR A 22 13.243 3.146 10.660 1.00 0.66 H new ATOM 0 HG1 THR A 22 12.524 0.757 9.328 1.00 0.66 H new ATOM 0 HG21 THR A 22 11.194 1.945 11.246 1.00 0.81 H new ATOM 0 HG22 THR A 22 10.837 3.528 10.516 1.00 0.81 H new ATOM 0 HG23 THR A 22 10.651 2.043 9.554 1.00 0.81 H new ATOM 330 N PHE A 23 14.529 2.697 7.120 1.00 0.49 N ATOM 331 CA PHE A 23 15.882 2.645 6.581 1.00 0.51 C ATOM 332 C PHE A 23 16.225 3.957 5.882 1.00 0.44 C ATOM 333 O PHE A 23 17.391 4.310 5.754 1.00 0.45 O ATOM 334 CB PHE A 23 16.043 1.394 5.686 1.00 0.68 C ATOM 335 CG PHE A 23 16.452 1.604 4.257 1.00 0.61 C ATOM 336 CD1 PHE A 23 17.607 2.295 3.926 1.00 1.46 C ATOM 337 CD2 PHE A 23 15.711 1.035 3.246 1.00 1.47 C ATOM 338 CE1 PHE A 23 18.008 2.410 2.619 1.00 1.93 C ATOM 339 CE2 PHE A 23 16.104 1.160 1.935 1.00 1.88 C ATOM 340 CZ PHE A 23 17.255 1.845 1.625 1.00 1.82 C ATOM 0 H PHE A 23 13.871 2.057 6.674 1.00 0.49 H new ATOM 0 HA PHE A 23 16.607 2.540 7.388 1.00 0.51 H new ATOM 0 HB2 PHE A 23 16.780 0.741 6.153 1.00 0.68 H new ATOM 0 HB3 PHE A 23 15.095 0.857 5.688 1.00 0.68 H new ATOM 0 HD1 PHE A 23 18.199 2.749 4.707 1.00 1.46 H new ATOM 0 HD2 PHE A 23 14.813 0.485 3.485 1.00 1.47 H new ATOM 0 HE1 PHE A 23 18.914 2.944 2.375 1.00 1.93 H new ATOM 0 HE2 PHE A 23 15.509 0.720 1.148 1.00 1.88 H new ATOM 0 HZ PHE A 23 17.566 1.938 0.595 1.00 1.82 H new ATOM 350 N ALA A 24 15.205 4.703 5.463 1.00 0.50 N ATOM 351 CA ALA A 24 15.432 6.006 4.819 1.00 0.58 C ATOM 352 C ALA A 24 16.438 6.801 5.620 1.00 0.60 C ATOM 353 O ALA A 24 17.277 7.519 5.074 1.00 0.65 O ATOM 354 CB ALA A 24 14.135 6.797 4.726 1.00 0.71 C ATOM 0 H ALA A 24 14.224 4.437 5.553 1.00 0.50 H new ATOM 0 HA ALA A 24 15.811 5.829 3.812 1.00 0.58 H new ATOM 0 HB1 ALA A 24 14.328 7.757 4.246 1.00 0.71 H new ATOM 0 HB2 ALA A 24 13.408 6.237 4.138 1.00 0.71 H new ATOM 0 HB3 ALA A 24 13.739 6.965 5.727 1.00 0.71 H new ATOM 360 N GLY A 25 16.333 6.652 6.928 1.00 0.68 N ATOM 361 CA GLY A 25 17.236 7.330 7.830 1.00 0.81 C ATOM 362 C GLY A 25 18.681 7.158 7.398 1.00 0.71 C ATOM 363 O GLY A 25 19.537 7.992 7.697 1.00 0.80 O ATOM 0 H GLY A 25 15.632 6.068 7.385 1.00 0.68 H new ATOM 0 HA2 GLY A 25 16.989 8.391 7.866 1.00 0.81 H new ATOM 0 HA3 GLY A 25 17.107 6.939 8.839 1.00 0.81 H new ATOM 367 N ARG A 26 18.941 6.059 6.682 1.00 0.60 N ATOM 368 CA ARG A 26 20.269 5.762 6.143 1.00 0.59 C ATOM 369 C ARG A 26 20.869 7.031 5.555 1.00 0.57 C ATOM 370 O ARG A 26 21.932 7.492 5.969 1.00 0.71 O ATOM 371 CB ARG A 26 20.145 4.683 5.058 1.00 0.61 C ATOM 372 CG ARG A 26 21.397 4.491 4.213 1.00 1.17 C ATOM 373 CD ARG A 26 22.420 3.623 4.922 1.00 0.97 C ATOM 374 NE ARG A 26 22.926 4.251 6.139 1.00 1.55 N ATOM 375 CZ ARG A 26 23.666 3.615 7.042 1.00 1.95 C ATOM 376 NH1 ARG A 26 23.982 2.339 6.863 1.00 2.01 N ATOM 377 NH2 ARG A 26 24.090 4.254 8.124 1.00 2.82 N ATOM 0 H ARG A 26 18.238 5.353 6.461 1.00 0.60 H new ATOM 0 HA ARG A 26 20.920 5.396 6.937 1.00 0.59 H new ATOM 0 HB2 ARG A 26 19.894 3.735 5.533 1.00 0.61 H new ATOM 0 HB3 ARG A 26 19.314 4.940 4.401 1.00 0.61 H new ATOM 0 HG2 ARG A 26 21.128 4.034 3.261 1.00 1.17 H new ATOM 0 HG3 ARG A 26 21.837 5.462 3.987 1.00 1.17 H new ATOM 0 HD2 ARG A 26 21.969 2.662 5.171 1.00 0.97 H new ATOM 0 HD3 ARG A 26 23.252 3.419 4.247 1.00 0.97 H new ATOM 0 HE ARG A 26 22.699 5.231 6.306 1.00 1.55 H new ATOM 0 HH11 ARG A 26 23.657 1.845 6.032 1.00 2.01 H new ATOM 0 HH12 ARG A 26 24.550 1.852 7.556 1.00 2.01 H new ATOM 0 HH21 ARG A 26 23.848 5.235 8.264 1.00 2.82 H new ATOM 0 HH22 ARG A 26 24.658 3.764 8.816 1.00 2.82 H new ATOM 391 N GLU A 27 20.158 7.582 4.584 1.00 0.50 N ATOM 392 CA GLU A 27 20.552 8.826 3.951 1.00 0.58 C ATOM 393 C GLU A 27 19.299 9.545 3.481 1.00 0.80 C ATOM 394 O GLU A 27 18.873 9.404 2.335 1.00 1.27 O ATOM 395 CB GLU A 27 21.497 8.559 2.774 1.00 0.98 C ATOM 396 CG GLU A 27 20.956 7.557 1.764 1.00 0.85 C ATOM 397 CD GLU A 27 21.996 7.143 0.740 1.00 1.09 C ATOM 398 OE1 GLU A 27 22.169 7.871 -0.260 1.00 1.63 O ATOM 399 OE2 GLU A 27 22.638 6.091 0.940 1.00 1.78 O ATOM 0 H GLU A 27 19.296 7.180 4.215 1.00 0.50 H new ATOM 0 HA GLU A 27 21.088 9.450 4.666 1.00 0.58 H new ATOM 0 HB2 GLU A 27 21.701 9.500 2.264 1.00 0.98 H new ATOM 0 HB3 GLU A 27 22.448 8.193 3.160 1.00 0.98 H new ATOM 0 HG2 GLU A 27 20.598 6.673 2.291 1.00 0.85 H new ATOM 0 HG3 GLU A 27 20.098 7.991 1.250 1.00 0.85 H new ATOM 406 N GLY A 28 18.707 10.311 4.387 1.00 1.33 N ATOM 407 CA GLY A 28 17.499 11.036 4.063 1.00 1.88 C ATOM 408 C GLY A 28 17.297 12.257 4.924 1.00 1.36 C ATOM 409 O GLY A 28 16.243 12.405 5.543 1.00 1.58 O ATOM 0 H GLY A 28 19.044 10.442 5.341 1.00 1.33 H new ATOM 0 HA2 GLY A 28 17.532 11.338 3.016 1.00 1.88 H new ATOM 0 HA3 GLY A 28 16.642 10.372 4.176 1.00 1.88 H new ATOM 413 N ARG A 29 18.289 13.140 4.981 1.00 1.16 N ATOM 414 CA ARG A 29 18.166 14.353 5.785 1.00 1.06 C ATOM 415 C ARG A 29 16.814 15.012 5.524 1.00 1.13 C ATOM 416 O ARG A 29 15.986 15.147 6.424 1.00 1.73 O ATOM 417 CB ARG A 29 19.307 15.327 5.468 1.00 1.38 C ATOM 418 CG ARG A 29 19.103 16.723 6.039 1.00 1.78 C ATOM 419 CD ARG A 29 18.663 16.672 7.493 1.00 2.37 C ATOM 420 NE ARG A 29 19.599 15.915 8.319 1.00 2.89 N ATOM 421 CZ ARG A 29 19.362 15.582 9.582 1.00 3.59 C ATOM 422 NH1 ARG A 29 18.224 15.936 10.162 1.00 3.91 N ATOM 423 NH2 ARG A 29 20.264 14.893 10.268 1.00 4.31 N ATOM 0 H ARG A 29 19.176 13.042 4.487 1.00 1.16 H new ATOM 0 HA ARG A 29 18.231 14.085 6.839 1.00 1.06 H new ATOM 0 HB2 ARG A 29 20.239 14.918 5.858 1.00 1.38 H new ATOM 0 HB3 ARG A 29 19.419 15.400 4.386 1.00 1.38 H new ATOM 0 HG2 ARG A 29 20.031 17.289 5.958 1.00 1.78 H new ATOM 0 HG3 ARG A 29 18.354 17.252 5.450 1.00 1.78 H new ATOM 0 HD2 ARG A 29 18.575 17.687 7.881 1.00 2.37 H new ATOM 0 HD3 ARG A 29 17.674 16.219 7.557 1.00 2.37 H new ATOM 0 HE ARG A 29 20.484 15.626 7.903 1.00 2.89 H new ATOM 0 HH11 ARG A 29 17.528 16.466 9.638 1.00 3.91 H new ATOM 0 HH12 ARG A 29 18.045 15.679 11.133 1.00 3.91 H new ATOM 0 HH21 ARG A 29 21.141 14.618 9.825 1.00 4.31 H new ATOM 0 HH22 ARG A 29 20.081 14.638 11.238 1.00 4.31 H new ATOM 437 N LYS A 30 16.612 15.411 4.281 1.00 1.04 N ATOM 438 CA LYS A 30 15.365 16.020 3.861 1.00 1.47 C ATOM 439 C LYS A 30 15.010 15.538 2.462 1.00 1.32 C ATOM 440 O LYS A 30 14.543 16.316 1.628 1.00 1.64 O ATOM 441 CB LYS A 30 15.474 17.546 3.885 1.00 2.03 C ATOM 442 CG LYS A 30 15.622 18.124 5.283 1.00 2.65 C ATOM 443 CD LYS A 30 14.376 17.883 6.121 1.00 3.51 C ATOM 444 CE LYS A 30 14.515 18.483 7.510 1.00 4.01 C ATOM 445 NZ LYS A 30 14.762 19.951 7.459 1.00 4.77 N ATOM 0 H LYS A 30 17.305 15.322 3.538 1.00 1.04 H new ATOM 0 HA LYS A 30 14.577 15.726 4.554 1.00 1.47 H new ATOM 0 HB2 LYS A 30 16.330 17.850 3.283 1.00 2.03 H new ATOM 0 HB3 LYS A 30 14.587 17.973 3.417 1.00 2.03 H new ATOM 0 HG2 LYS A 30 16.485 17.674 5.774 1.00 2.65 H new ATOM 0 HG3 LYS A 30 15.815 19.195 5.217 1.00 2.65 H new ATOM 0 HD2 LYS A 30 13.510 18.317 5.621 1.00 3.51 H new ATOM 0 HD3 LYS A 30 14.193 16.812 6.203 1.00 3.51 H new ATOM 0 HE2 LYS A 30 13.608 18.287 8.082 1.00 4.01 H new ATOM 0 HE3 LYS A 30 15.336 17.995 8.036 1.00 4.01 H new ATOM 0 HZ1 LYS A 30 14.583 20.366 8.396 1.00 4.77 H new ATOM 0 HZ2 LYS A 30 15.750 20.128 7.185 1.00 4.77 H new ATOM 0 HZ3 LYS A 30 14.126 20.386 6.761 1.00 4.77 H new ATOM 459 N GLY A 31 15.228 14.248 2.206 1.00 0.95 N ATOM 460 CA GLY A 31 14.941 13.710 0.890 1.00 0.88 C ATOM 461 C GLY A 31 14.246 12.391 0.930 1.00 0.80 C ATOM 462 O GLY A 31 13.068 12.343 1.226 1.00 0.85 O ATOM 0 H GLY A 31 15.594 13.575 2.879 1.00 0.95 H new ATOM 0 HA2 GLY A 31 14.324 14.421 0.341 1.00 0.88 H new ATOM 0 HA3 GLY A 31 15.874 13.604 0.337 1.00 0.88 H new ATOM 466 N SER A 32 14.958 11.322 0.602 1.00 0.74 N ATOM 467 CA SER A 32 14.335 10.012 0.551 1.00 0.71 C ATOM 468 C SER A 32 15.222 8.857 0.985 1.00 0.70 C ATOM 469 O SER A 32 16.370 9.031 1.394 1.00 0.74 O ATOM 470 CB SER A 32 13.810 9.787 -0.850 1.00 0.68 C ATOM 471 OG SER A 32 14.788 10.089 -1.829 1.00 1.10 O ATOM 0 H SER A 32 15.951 11.336 0.371 1.00 0.74 H new ATOM 0 HA SER A 32 13.528 10.020 1.284 1.00 0.71 H new ATOM 0 HB2 SER A 32 13.494 8.749 -0.958 1.00 0.68 H new ATOM 0 HB3 SER A 32 12.928 10.407 -1.013 1.00 0.68 H new ATOM 0 HG SER A 32 14.626 10.987 -2.187 1.00 1.10 H new ATOM 477 N LEU A 33 14.636 7.666 0.878 1.00 0.72 N ATOM 478 CA LEU A 33 15.310 6.416 1.196 1.00 0.74 C ATOM 479 C LEU A 33 15.945 5.927 -0.079 1.00 0.56 C ATOM 480 O LEU A 33 15.477 6.267 -1.166 1.00 0.52 O ATOM 481 CB LEU A 33 14.316 5.362 1.719 1.00 0.99 C ATOM 482 CG LEU A 33 14.497 3.906 1.215 1.00 1.19 C ATOM 483 CD1 LEU A 33 13.799 2.904 2.137 1.00 1.93 C ATOM 484 CD2 LEU A 33 13.969 3.758 -0.205 1.00 1.69 C ATOM 0 H LEU A 33 13.673 7.544 0.566 1.00 0.72 H new ATOM 0 HA LEU A 33 16.051 6.578 1.979 1.00 0.74 H new ATOM 0 HB2 LEU A 33 14.375 5.353 2.807 1.00 0.99 H new ATOM 0 HB3 LEU A 33 13.309 5.688 1.457 1.00 0.99 H new ATOM 0 HG LEU A 33 15.565 3.689 1.221 1.00 1.19 H new ATOM 0 HD11 LEU A 33 13.946 1.894 1.754 1.00 1.93 H new ATOM 0 HD12 LEU A 33 14.221 2.977 3.140 1.00 1.93 H new ATOM 0 HD13 LEU A 33 12.733 3.126 2.175 1.00 1.93 H new ATOM 0 HD21 LEU A 33 14.106 2.729 -0.539 1.00 1.69 H new ATOM 0 HD22 LEU A 33 12.908 4.009 -0.227 1.00 1.69 H new ATOM 0 HD23 LEU A 33 14.514 4.430 -0.868 1.00 1.69 H new ATOM 496 N ASN A 34 16.997 5.135 0.022 1.00 0.57 N ATOM 497 CA ASN A 34 17.667 4.714 -1.183 1.00 0.47 C ATOM 498 C ASN A 34 17.677 3.191 -1.332 1.00 0.41 C ATOM 499 O ASN A 34 16.634 2.556 -1.197 1.00 0.56 O ATOM 500 CB ASN A 34 19.069 5.316 -1.147 1.00 0.56 C ATOM 501 CG ASN A 34 19.623 5.624 -2.522 1.00 1.37 C ATOM 502 OD1 ASN A 34 18.880 5.969 -3.441 1.00 2.12 O ATOM 503 ND2 ASN A 34 20.937 5.494 -2.672 1.00 2.11 N ATOM 0 H ASN A 34 17.391 4.783 0.895 1.00 0.57 H new ATOM 0 HA ASN A 34 17.134 5.071 -2.064 1.00 0.47 H new ATOM 0 HB2 ASN A 34 19.049 6.232 -0.557 1.00 0.56 H new ATOM 0 HB3 ASN A 34 19.741 4.625 -0.638 1.00 0.56 H new ATOM 0 HD21 ASN A 34 21.368 5.683 -3.577 1.00 2.11 H new ATOM 0 HD22 ASN A 34 21.514 5.205 -1.882 1.00 2.11 H new ATOM 510 N ILE A 35 18.831 2.592 -1.644 1.00 0.54 N ATOM 511 CA ILE A 35 18.908 1.153 -1.786 1.00 0.54 C ATOM 512 C ILE A 35 20.109 0.579 -1.058 1.00 0.56 C ATOM 513 O ILE A 35 20.665 -0.445 -1.455 1.00 0.63 O ATOM 514 CB ILE A 35 18.933 0.689 -3.259 1.00 0.60 C ATOM 515 CG1 ILE A 35 19.536 1.766 -4.169 1.00 0.70 C ATOM 516 CG2 ILE A 35 17.530 0.313 -3.715 1.00 0.66 C ATOM 517 CD1 ILE A 35 18.648 2.974 -4.351 1.00 1.05 C ATOM 0 H ILE A 35 19.711 3.084 -1.800 1.00 0.54 H new ATOM 0 HA ILE A 35 17.994 0.771 -1.331 1.00 0.54 H new ATOM 0 HB ILE A 35 19.569 -0.193 -3.330 1.00 0.60 H new ATOM 0 HG12 ILE A 35 20.491 2.087 -3.753 1.00 0.70 H new ATOM 0 HG13 ILE A 35 19.744 1.329 -5.146 1.00 0.70 H new ATOM 0 HG21 ILE A 35 17.560 -0.012 -4.755 1.00 0.66 H new ATOM 0 HG22 ILE A 35 17.150 -0.497 -3.092 1.00 0.66 H new ATOM 0 HG23 ILE A 35 16.874 1.179 -3.625 1.00 0.66 H new ATOM 0 HD11 ILE A 35 19.141 3.692 -5.006 1.00 1.05 H new ATOM 0 HD12 ILE A 35 17.702 2.666 -4.796 1.00 1.05 H new ATOM 0 HD13 ILE A 35 18.460 3.437 -3.382 1.00 1.05 H new ATOM 529 N ASN A 36 20.496 1.243 0.017 1.00 0.59 N ATOM 530 CA ASN A 36 21.608 0.789 0.829 1.00 0.63 C ATOM 531 C ASN A 36 21.107 -0.301 1.747 1.00 0.59 C ATOM 532 O ASN A 36 21.531 -1.452 1.653 1.00 0.59 O ATOM 533 CB ASN A 36 22.205 1.942 1.634 1.00 0.70 C ATOM 534 CG ASN A 36 23.367 1.500 2.502 1.00 1.33 C ATOM 535 OD1 ASN A 36 23.181 1.117 3.657 1.00 2.15 O ATOM 536 ND2 ASN A 36 24.572 1.549 1.948 1.00 1.89 N ATOM 0 H ASN A 36 20.054 2.101 0.347 1.00 0.59 H new ATOM 0 HA ASN A 36 22.399 0.402 0.187 1.00 0.63 H new ATOM 0 HB2 ASN A 36 22.541 2.722 0.951 1.00 0.70 H new ATOM 0 HB3 ASN A 36 21.431 2.381 2.264 1.00 0.70 H new ATOM 0 HD21 ASN A 36 25.391 1.262 2.483 1.00 1.89 H new ATOM 0 HD22 ASN A 36 24.679 1.873 0.987 1.00 1.89 H new ATOM 543 N GLU A 37 20.199 0.062 2.643 1.00 0.57 N ATOM 544 CA GLU A 37 19.620 -0.925 3.525 1.00 0.56 C ATOM 545 C GLU A 37 18.540 -1.678 2.805 1.00 0.50 C ATOM 546 O GLU A 37 18.164 -2.749 3.233 1.00 0.52 O ATOM 547 CB GLU A 37 19.052 -0.325 4.785 1.00 0.66 C ATOM 548 CG GLU A 37 19.895 0.810 5.307 1.00 0.75 C ATOM 549 CD GLU A 37 19.480 1.280 6.688 1.00 0.76 C ATOM 550 OE1 GLU A 37 18.618 2.180 6.775 1.00 1.29 O ATOM 551 OE2 GLU A 37 20.020 0.752 7.683 1.00 1.40 O ATOM 0 H GLU A 37 19.857 1.014 2.773 1.00 0.57 H new ATOM 0 HA GLU A 37 20.426 -1.597 3.819 1.00 0.56 H new ATOM 0 HB2 GLU A 37 18.042 0.035 4.590 1.00 0.66 H new ATOM 0 HB3 GLU A 37 18.973 -1.098 5.550 1.00 0.66 H new ATOM 0 HG2 GLU A 37 20.938 0.495 5.336 1.00 0.75 H new ATOM 0 HG3 GLU A 37 19.834 1.648 4.612 1.00 0.75 H new ATOM 558 N PHE A 38 18.024 -1.138 1.692 1.00 0.46 N ATOM 559 CA PHE A 38 17.016 -1.855 0.947 1.00 0.42 C ATOM 560 C PHE A 38 17.536 -3.262 0.692 1.00 0.45 C ATOM 561 O PHE A 38 16.775 -4.220 0.606 1.00 0.45 O ATOM 562 CB PHE A 38 16.712 -1.146 -0.372 1.00 0.43 C ATOM 563 CG PHE A 38 15.488 -1.659 -1.061 1.00 0.41 C ATOM 564 CD1 PHE A 38 15.473 -2.919 -1.627 1.00 1.30 C ATOM 565 CD2 PHE A 38 14.352 -0.875 -1.141 1.00 1.21 C ATOM 566 CE1 PHE A 38 14.343 -3.394 -2.265 1.00 1.32 C ATOM 567 CE2 PHE A 38 13.217 -1.341 -1.776 1.00 1.21 C ATOM 568 CZ PHE A 38 13.212 -2.603 -2.339 1.00 0.45 C ATOM 0 H PHE A 38 18.288 -0.231 1.307 1.00 0.46 H new ATOM 0 HA PHE A 38 16.087 -1.895 1.516 1.00 0.42 H new ATOM 0 HB2 PHE A 38 16.591 -0.080 -0.182 1.00 0.43 H new ATOM 0 HB3 PHE A 38 17.567 -1.256 -1.039 1.00 0.43 H new ATOM 0 HD1 PHE A 38 16.355 -3.540 -1.570 1.00 1.30 H new ATOM 0 HD2 PHE A 38 14.352 0.112 -0.703 1.00 1.21 H new ATOM 0 HE1 PHE A 38 14.344 -4.381 -2.705 1.00 1.32 H new ATOM 0 HE2 PHE A 38 12.335 -0.720 -1.832 1.00 1.21 H new ATOM 0 HZ PHE A 38 12.326 -2.970 -2.836 1.00 0.45 H new ATOM 578 N LYS A 39 18.868 -3.362 0.641 1.00 0.49 N ATOM 579 CA LYS A 39 19.538 -4.622 0.433 1.00 0.53 C ATOM 580 C LYS A 39 19.264 -5.602 1.548 1.00 0.53 C ATOM 581 O LYS A 39 19.585 -6.784 1.451 1.00 0.56 O ATOM 582 CB LYS A 39 21.017 -4.395 0.249 1.00 0.61 C ATOM 583 CG LYS A 39 21.289 -3.472 -0.907 1.00 0.67 C ATOM 584 CD LYS A 39 22.658 -2.864 -0.792 1.00 0.71 C ATOM 585 CE LYS A 39 23.217 -2.458 -2.147 1.00 1.47 C ATOM 586 NZ LYS A 39 24.565 -1.836 -2.029 1.00 1.80 N ATOM 0 H LYS A 39 19.498 -2.567 0.744 1.00 0.49 H new ATOM 0 HA LYS A 39 19.138 -5.070 -0.476 1.00 0.53 H new ATOM 0 HB2 LYS A 39 21.438 -3.973 1.161 1.00 0.61 H new ATOM 0 HB3 LYS A 39 21.515 -5.350 0.080 1.00 0.61 H new ATOM 0 HG2 LYS A 39 21.208 -4.022 -1.845 1.00 0.67 H new ATOM 0 HG3 LYS A 39 20.537 -2.684 -0.934 1.00 0.67 H new ATOM 0 HD2 LYS A 39 22.613 -1.990 -0.142 1.00 0.71 H new ATOM 0 HD3 LYS A 39 23.333 -3.578 -0.320 1.00 0.71 H new ATOM 0 HE2 LYS A 39 23.277 -3.335 -2.792 1.00 1.47 H new ATOM 0 HE3 LYS A 39 22.534 -1.756 -2.626 1.00 1.47 H new ATOM 0 HZ1 LYS A 39 24.910 -1.574 -2.974 1.00 1.80 H new ATOM 0 HZ2 LYS A 39 24.504 -0.985 -1.434 1.00 1.80 H new ATOM 0 HZ3 LYS A 39 25.224 -2.514 -1.596 1.00 1.80 H new ATOM 600 N GLU A 40 18.733 -5.086 2.625 1.00 0.52 N ATOM 601 CA GLU A 40 18.324 -5.901 3.745 1.00 0.56 C ATOM 602 C GLU A 40 16.907 -6.436 3.470 1.00 0.54 C ATOM 603 O GLU A 40 16.383 -7.252 4.229 1.00 0.60 O ATOM 604 CB GLU A 40 18.400 -5.110 5.069 1.00 0.60 C ATOM 605 CG GLU A 40 17.152 -4.313 5.424 1.00 1.09 C ATOM 606 CD GLU A 40 17.138 -3.875 6.876 1.00 1.91 C ATOM 607 OE1 GLU A 40 16.627 -4.638 7.722 1.00 2.62 O ATOM 608 OE2 GLU A 40 17.639 -2.769 7.166 1.00 2.43 O ATOM 0 H GLU A 40 18.570 -4.087 2.753 1.00 0.52 H new ATOM 0 HA GLU A 40 19.005 -6.745 3.857 1.00 0.56 H new ATOM 0 HB2 GLU A 40 18.607 -5.809 5.879 1.00 0.60 H new ATOM 0 HB3 GLU A 40 19.246 -4.424 5.015 1.00 0.60 H new ATOM 0 HG2 GLU A 40 17.091 -3.434 4.782 1.00 1.09 H new ATOM 0 HG3 GLU A 40 16.268 -4.918 5.221 1.00 1.09 H new ATOM 615 N LEU A 41 16.293 -5.961 2.365 1.00 0.49 N ATOM 616 CA LEU A 41 14.953 -6.383 1.983 1.00 0.50 C ATOM 617 C LEU A 41 14.970 -7.766 1.335 1.00 0.55 C ATOM 618 O LEU A 41 14.934 -8.767 2.046 1.00 0.62 O ATOM 619 CB LEU A 41 14.294 -5.362 1.038 1.00 0.46 C ATOM 620 CG LEU A 41 14.129 -3.936 1.574 1.00 0.44 C ATOM 621 CD1 LEU A 41 12.928 -3.268 0.928 1.00 0.55 C ATOM 622 CD2 LEU A 41 14.006 -3.911 3.094 1.00 0.66 C ATOM 0 H LEU A 41 16.715 -5.284 1.729 1.00 0.49 H new ATOM 0 HA LEU A 41 14.360 -6.439 2.896 1.00 0.50 H new ATOM 0 HB2 LEU A 41 14.884 -5.315 0.123 1.00 0.46 H new ATOM 0 HB3 LEU A 41 13.309 -5.739 0.764 1.00 0.46 H new ATOM 0 HG LEU A 41 15.028 -3.378 1.313 1.00 0.44 H new ATOM 0 HD11 LEU A 41 12.822 -2.255 1.317 1.00 0.55 H new ATOM 0 HD12 LEU A 41 13.071 -3.228 -0.152 1.00 0.55 H new ATOM 0 HD13 LEU A 41 12.028 -3.840 1.154 1.00 0.55 H new ATOM 0 HD21 LEU A 41 13.891 -2.881 3.433 1.00 0.66 H new ATOM 0 HD22 LEU A 41 13.136 -4.493 3.398 1.00 0.66 H new ATOM 0 HD23 LEU A 41 14.903 -4.341 3.539 1.00 0.66 H new ATOM 634 N ALA A 42 15.047 -7.833 -0.011 1.00 0.55 N ATOM 635 CA ALA A 42 15.041 -9.105 -0.717 1.00 0.61 C ATOM 636 C ALA A 42 15.860 -10.159 0.015 1.00 0.67 C ATOM 637 O ALA A 42 15.528 -11.334 -0.002 1.00 0.74 O ATOM 638 CB ALA A 42 15.532 -8.945 -2.134 1.00 0.65 C ATOM 0 H ALA A 42 15.113 -7.016 -0.618 1.00 0.55 H new ATOM 0 HA ALA A 42 14.007 -9.448 -0.749 1.00 0.61 H new ATOM 0 HB1 ALA A 42 15.516 -9.912 -2.636 1.00 0.65 H new ATOM 0 HB2 ALA A 42 14.884 -8.249 -2.667 1.00 0.65 H new ATOM 0 HB3 ALA A 42 16.551 -8.558 -2.124 1.00 0.65 H new ATOM 644 N THR A 43 16.904 -9.708 0.698 1.00 0.66 N ATOM 645 CA THR A 43 17.773 -10.585 1.444 1.00 0.73 C ATOM 646 C THR A 43 16.974 -11.376 2.476 1.00 0.78 C ATOM 647 O THR A 43 17.025 -12.601 2.507 1.00 0.86 O ATOM 648 CB THR A 43 18.865 -9.757 2.139 1.00 0.72 C ATOM 649 OG1 THR A 43 18.320 -8.501 2.576 1.00 0.66 O ATOM 650 CG2 THR A 43 20.039 -9.505 1.205 1.00 0.75 C ATOM 0 H THR A 43 17.165 -8.723 0.745 1.00 0.66 H new ATOM 0 HA THR A 43 18.240 -11.291 0.757 1.00 0.73 H new ATOM 0 HB THR A 43 19.224 -10.322 2.999 1.00 0.72 H new ATOM 0 HG1 THR A 43 18.494 -7.815 1.898 1.00 0.66 H new ATOM 0 HG21 THR A 43 20.796 -8.917 1.723 1.00 0.75 H new ATOM 0 HG22 THR A 43 20.468 -10.458 0.895 1.00 0.75 H new ATOM 0 HG23 THR A 43 19.694 -8.960 0.326 1.00 0.75 H new ATOM 658 N GLN A 44 16.270 -10.663 3.348 1.00 0.77 N ATOM 659 CA GLN A 44 15.427 -11.284 4.347 1.00 0.85 C ATOM 660 C GLN A 44 14.098 -11.664 3.730 1.00 0.85 C ATOM 661 O GLN A 44 13.491 -12.665 4.111 1.00 0.94 O ATOM 662 CB GLN A 44 15.222 -10.344 5.537 1.00 0.88 C ATOM 663 CG GLN A 44 14.193 -10.836 6.539 1.00 1.54 C ATOM 664 CD GLN A 44 13.998 -9.871 7.691 1.00 2.05 C ATOM 665 OE1 GLN A 44 13.152 -8.978 7.632 1.00 2.54 O ATOM 666 NE2 GLN A 44 14.784 -10.043 8.747 1.00 2.75 N ATOM 0 H GLN A 44 16.271 -9.643 3.378 1.00 0.77 H new ATOM 0 HA GLN A 44 15.916 -12.187 4.712 1.00 0.85 H new ATOM 0 HB2 GLN A 44 16.175 -10.207 6.048 1.00 0.88 H new ATOM 0 HB3 GLN A 44 14.915 -9.366 5.166 1.00 0.88 H new ATOM 0 HG2 GLN A 44 13.240 -10.988 6.032 1.00 1.54 H new ATOM 0 HG3 GLN A 44 14.505 -11.805 6.929 1.00 1.54 H new ATOM 0 HE21 GLN A 44 15.472 -10.796 8.754 1.00 2.75 H new ATOM 0 HE22 GLN A 44 14.700 -9.422 9.552 1.00 2.75 H new ATOM 675 N GLN A 45 13.640 -10.863 2.772 1.00 0.78 N ATOM 676 CA GLN A 45 12.395 -11.173 2.098 1.00 0.83 C ATOM 677 C GLN A 45 12.550 -12.513 1.413 1.00 0.79 C ATOM 678 O GLN A 45 11.574 -13.238 1.221 1.00 0.80 O ATOM 679 CB GLN A 45 12.024 -10.132 1.049 1.00 0.93 C ATOM 680 CG GLN A 45 11.913 -8.707 1.556 1.00 0.97 C ATOM 681 CD GLN A 45 11.711 -7.737 0.410 1.00 1.36 C ATOM 682 OE1 GLN A 45 12.633 -7.439 -0.341 1.00 2.34 O ATOM 683 NE2 GLN A 45 10.503 -7.233 0.270 1.00 1.43 N ATOM 0 H GLN A 45 14.105 -10.013 2.454 1.00 0.78 H new ATOM 0 HA GLN A 45 11.602 -11.186 2.845 1.00 0.83 H new ATOM 0 HB2 GLN A 45 12.770 -10.160 0.255 1.00 0.93 H new ATOM 0 HB3 GLN A 45 11.071 -10.416 0.602 1.00 0.93 H new ATOM 0 HG2 GLN A 45 11.079 -8.629 2.254 1.00 0.97 H new ATOM 0 HG3 GLN A 45 12.815 -8.442 2.107 1.00 0.97 H new ATOM 0 HE21 GLN A 45 9.760 -7.504 0.914 1.00 1.43 H new ATOM 0 HE22 GLN A 45 10.310 -6.572 -0.482 1.00 1.43 H new ATOM 692 N LEU A 46 13.804 -12.841 1.033 1.00 0.78 N ATOM 693 CA LEU A 46 14.097 -14.111 0.381 1.00 0.78 C ATOM 694 C LEU A 46 13.342 -15.216 1.095 1.00 0.74 C ATOM 695 O LEU A 46 12.247 -15.557 0.661 1.00 0.75 O ATOM 696 CB LEU A 46 15.602 -14.418 0.324 1.00 0.83 C ATOM 697 CG LEU A 46 16.332 -14.004 -0.960 1.00 1.04 C ATOM 698 CD1 LEU A 46 17.738 -14.581 -0.971 1.00 1.25 C ATOM 699 CD2 LEU A 46 15.560 -14.463 -2.185 1.00 1.30 C ATOM 0 H LEU A 46 14.617 -12.240 1.171 1.00 0.78 H new ATOM 0 HA LEU A 46 13.767 -14.044 -0.656 1.00 0.78 H new ATOM 0 HB2 LEU A 46 16.084 -13.923 1.167 1.00 0.83 H new ATOM 0 HB3 LEU A 46 15.738 -15.490 0.464 1.00 0.83 H new ATOM 0 HG LEU A 46 16.399 -12.916 -0.987 1.00 1.04 H new ATOM 0 HD11 LEU A 46 18.247 -14.281 -1.887 1.00 1.25 H new ATOM 0 HD12 LEU A 46 18.291 -14.208 -0.109 1.00 1.25 H new ATOM 0 HD13 LEU A 46 17.685 -15.669 -0.925 1.00 1.25 H new ATOM 0 HD21 LEU A 46 16.094 -14.160 -3.086 1.00 1.30 H new ATOM 0 HD22 LEU A 46 15.463 -15.549 -2.168 1.00 1.30 H new ATOM 0 HD23 LEU A 46 14.569 -14.010 -2.181 1.00 1.30 H new ATOM 711 N PRO A 47 13.828 -15.771 2.227 1.00 0.78 N ATOM 712 CA PRO A 47 13.035 -16.802 2.854 1.00 0.80 C ATOM 713 C PRO A 47 11.850 -16.189 3.578 1.00 0.77 C ATOM 714 O PRO A 47 11.916 -15.846 4.759 1.00 0.81 O ATOM 715 CB PRO A 47 14.004 -17.407 3.874 1.00 0.90 C ATOM 716 CG PRO A 47 15.024 -16.349 4.146 1.00 0.95 C ATOM 717 CD PRO A 47 15.083 -15.470 2.929 1.00 0.90 C ATOM 0 HA PRO A 47 12.633 -17.526 2.145 1.00 0.80 H new ATOM 0 HB2 PRO A 47 13.482 -17.691 4.788 1.00 0.90 H new ATOM 0 HB3 PRO A 47 14.472 -18.309 3.481 1.00 0.90 H new ATOM 0 HG2 PRO A 47 14.752 -15.769 5.028 1.00 0.95 H new ATOM 0 HG3 PRO A 47 15.998 -16.795 4.347 1.00 0.95 H new ATOM 0 HD2 PRO A 47 15.149 -14.416 3.198 1.00 0.90 H new ATOM 0 HD3 PRO A 47 15.952 -15.697 2.312 1.00 0.90 H new ATOM 725 N HIS A 48 10.773 -16.056 2.828 1.00 0.73 N ATOM 726 CA HIS A 48 9.500 -15.577 3.334 1.00 0.74 C ATOM 727 C HIS A 48 8.546 -16.730 3.582 1.00 0.83 C ATOM 728 O HIS A 48 8.952 -17.891 3.639 1.00 0.91 O ATOM 729 CB HIS A 48 8.901 -14.512 2.405 1.00 0.73 C ATOM 730 CG HIS A 48 8.632 -13.253 3.150 1.00 0.98 C ATOM 731 ND1 HIS A 48 9.637 -12.489 3.698 1.00 1.87 N ATOM 732 CD2 HIS A 48 7.472 -12.653 3.488 1.00 1.34 C ATOM 733 CE1 HIS A 48 9.107 -11.472 4.346 1.00 2.04 C ATOM 734 NE2 HIS A 48 7.793 -11.549 4.235 1.00 1.61 N ATOM 0 H HIS A 48 10.757 -16.281 1.833 1.00 0.73 H new ATOM 0 HA HIS A 48 9.673 -15.095 4.296 1.00 0.74 H new ATOM 0 HB2 HIS A 48 9.587 -14.313 1.582 1.00 0.73 H new ATOM 0 HB3 HIS A 48 7.976 -14.885 1.966 1.00 0.73 H new ATOM 0 HD2 HIS A 48 6.478 -12.980 3.221 1.00 1.34 H new ATOM 0 HE1 HIS A 48 9.653 -10.706 4.877 1.00 2.04 H new ATOM 0 HE2 HIS A 48 7.125 -10.893 4.640 1.00 1.61 H new ATOM 743 N LEU A 49 7.271 -16.396 3.730 1.00 0.88 N ATOM 744 CA LEU A 49 6.240 -17.405 3.865 1.00 1.00 C ATOM 745 C LEU A 49 5.901 -17.880 2.456 1.00 0.98 C ATOM 746 O LEU A 49 6.348 -18.940 2.019 1.00 1.02 O ATOM 747 CB LEU A 49 5.002 -16.838 4.565 1.00 1.10 C ATOM 748 CG LEU A 49 3.782 -17.758 4.575 1.00 1.62 C ATOM 749 CD1 LEU A 49 4.079 -19.032 5.353 1.00 2.02 C ATOM 750 CD2 LEU A 49 2.580 -17.038 5.167 1.00 2.44 C ATOM 0 H LEU A 49 6.931 -15.435 3.759 1.00 0.88 H new ATOM 0 HA LEU A 49 6.591 -18.234 4.480 1.00 1.00 H new ATOM 0 HB2 LEU A 49 5.265 -16.598 5.595 1.00 1.10 H new ATOM 0 HB3 LEU A 49 4.727 -15.901 4.080 1.00 1.10 H new ATOM 0 HG LEU A 49 3.548 -18.032 3.546 1.00 1.62 H new ATOM 0 HD11 LEU A 49 3.198 -19.674 5.349 1.00 2.02 H new ATOM 0 HD12 LEU A 49 4.913 -19.557 4.887 1.00 2.02 H new ATOM 0 HD13 LEU A 49 4.338 -18.778 6.381 1.00 2.02 H new ATOM 0 HD21 LEU A 49 1.719 -17.707 5.167 1.00 2.44 H new ATOM 0 HD22 LEU A 49 2.805 -16.735 6.190 1.00 2.44 H new ATOM 0 HD23 LEU A 49 2.354 -16.155 4.569 1.00 2.44 H new ATOM 762 N LEU A 50 5.105 -17.074 1.749 1.00 0.98 N ATOM 763 CA LEU A 50 4.747 -17.349 0.358 1.00 1.01 C ATOM 764 C LEU A 50 5.815 -16.782 -0.596 1.00 0.92 C ATOM 765 O LEU A 50 5.492 -16.266 -1.664 1.00 1.01 O ATOM 766 CB LEU A 50 3.378 -16.742 0.038 1.00 1.11 C ATOM 767 CG LEU A 50 2.806 -17.105 -1.333 1.00 1.60 C ATOM 768 CD1 LEU A 50 2.839 -18.611 -1.543 1.00 1.97 C ATOM 769 CD2 LEU A 50 1.385 -16.579 -1.471 1.00 2.25 C ATOM 0 H LEU A 50 4.694 -16.219 2.123 1.00 0.98 H new ATOM 0 HA LEU A 50 4.697 -18.429 0.219 1.00 1.01 H new ATOM 0 HB2 LEU A 50 2.670 -17.059 0.804 1.00 1.11 H new ATOM 0 HB3 LEU A 50 3.455 -15.657 0.105 1.00 1.11 H new ATOM 0 HG LEU A 50 3.424 -16.638 -2.100 1.00 1.60 H new ATOM 0 HD11 LEU A 50 2.428 -18.851 -2.524 1.00 1.97 H new ATOM 0 HD12 LEU A 50 3.869 -18.964 -1.485 1.00 1.97 H new ATOM 0 HD13 LEU A 50 2.244 -19.099 -0.771 1.00 1.97 H new ATOM 0 HD21 LEU A 50 0.992 -16.846 -2.452 1.00 2.25 H new ATOM 0 HD22 LEU A 50 0.757 -17.020 -0.697 1.00 2.25 H new ATOM 0 HD23 LEU A 50 1.386 -15.494 -1.363 1.00 2.25 H new ATOM 781 N LYS A 51 7.086 -16.886 -0.206 1.00 0.85 N ATOM 782 CA LYS A 51 8.197 -16.364 -0.993 1.00 0.81 C ATOM 783 C LYS A 51 8.019 -16.591 -2.485 1.00 0.88 C ATOM 784 O LYS A 51 7.374 -17.544 -2.922 1.00 1.03 O ATOM 785 CB LYS A 51 9.500 -17.008 -0.525 1.00 0.97 C ATOM 786 CG LYS A 51 10.731 -16.616 -1.333 1.00 1.23 C ATOM 787 CD LYS A 51 11.894 -17.550 -1.002 1.00 2.11 C ATOM 788 CE LYS A 51 13.243 -16.980 -1.417 1.00 2.68 C ATOM 789 NZ LYS A 51 14.362 -17.621 -0.672 1.00 3.58 N ATOM 0 H LYS A 51 7.371 -17.335 0.664 1.00 0.85 H new ATOM 0 HA LYS A 51 8.227 -15.286 -0.836 1.00 0.81 H new ATOM 0 HB2 LYS A 51 9.667 -16.741 0.518 1.00 0.97 H new ATOM 0 HB3 LYS A 51 9.388 -18.092 -0.562 1.00 0.97 H new ATOM 0 HG2 LYS A 51 10.507 -16.665 -2.399 1.00 1.23 H new ATOM 0 HG3 LYS A 51 11.008 -15.585 -1.112 1.00 1.23 H new ATOM 0 HD2 LYS A 51 11.902 -17.747 0.070 1.00 2.11 H new ATOM 0 HD3 LYS A 51 11.740 -18.507 -1.501 1.00 2.11 H new ATOM 0 HE2 LYS A 51 13.387 -17.127 -2.487 1.00 2.68 H new ATOM 0 HE3 LYS A 51 13.255 -15.905 -1.238 1.00 2.68 H new ATOM 0 HZ1 LYS A 51 15.243 -17.098 -0.851 1.00 3.58 H new ATOM 0 HZ2 LYS A 51 14.153 -17.608 0.347 1.00 3.58 H new ATOM 0 HZ3 LYS A 51 14.472 -18.605 -0.990 1.00 3.58 H new ATOM 803 N ASP A 52 8.605 -15.686 -3.247 1.00 0.92 N ATOM 804 CA ASP A 52 8.564 -15.736 -4.700 1.00 1.17 C ATOM 805 C ASP A 52 9.942 -16.084 -5.252 1.00 1.23 C ATOM 806 O ASP A 52 10.054 -16.684 -6.317 1.00 1.47 O ATOM 807 CB ASP A 52 8.102 -14.389 -5.262 1.00 1.29 C ATOM 808 CG ASP A 52 8.076 -14.371 -6.777 1.00 1.87 C ATOM 809 OD1 ASP A 52 9.125 -14.069 -7.385 1.00 2.61 O ATOM 810 OD2 ASP A 52 7.008 -14.659 -7.356 1.00 2.35 O ATOM 0 H ASP A 52 9.126 -14.891 -2.875 1.00 0.92 H new ATOM 0 HA ASP A 52 7.856 -16.507 -5.003 1.00 1.17 H new ATOM 0 HB2 ASP A 52 7.106 -14.163 -4.882 1.00 1.29 H new ATOM 0 HB3 ASP A 52 8.766 -13.602 -4.904 1.00 1.29 H new ATOM 815 N VAL A 53 10.979 -15.712 -4.496 1.00 1.13 N ATOM 816 CA VAL A 53 12.374 -15.959 -4.861 1.00 1.26 C ATOM 817 C VAL A 53 12.991 -14.767 -5.593 1.00 1.24 C ATOM 818 O VAL A 53 12.894 -14.611 -6.809 1.00 1.48 O ATOM 819 CB VAL A 53 12.561 -17.300 -5.627 1.00 1.57 C ATOM 820 CG1 VAL A 53 12.533 -17.156 -7.149 1.00 2.17 C ATOM 821 CG2 VAL A 53 13.847 -17.982 -5.186 1.00 1.91 C ATOM 0 H VAL A 53 10.871 -15.227 -3.605 1.00 1.13 H new ATOM 0 HA VAL A 53 12.929 -16.071 -3.929 1.00 1.26 H new ATOM 0 HB VAL A 53 11.701 -17.918 -5.368 1.00 1.57 H new ATOM 0 HG11 VAL A 53 12.670 -18.134 -7.610 1.00 2.17 H new ATOM 0 HG12 VAL A 53 11.574 -16.741 -7.458 1.00 2.17 H new ATOM 0 HG13 VAL A 53 13.335 -16.490 -7.466 1.00 2.17 H new ATOM 0 HG21 VAL A 53 13.966 -18.919 -5.729 1.00 1.91 H new ATOM 0 HG22 VAL A 53 14.695 -17.330 -5.396 1.00 1.91 H new ATOM 0 HG23 VAL A 53 13.802 -18.186 -4.116 1.00 1.91 H new ATOM 831 N GLY A 54 13.597 -13.901 -4.801 1.00 1.06 N ATOM 832 CA GLY A 54 14.246 -12.724 -5.337 1.00 1.11 C ATOM 833 C GLY A 54 15.622 -13.044 -5.872 1.00 1.14 C ATOM 834 O GLY A 54 16.604 -13.022 -5.130 1.00 1.24 O ATOM 0 H GLY A 54 13.652 -13.992 -3.787 1.00 1.06 H new ATOM 0 HA2 GLY A 54 13.634 -12.301 -6.134 1.00 1.11 H new ATOM 0 HA3 GLY A 54 14.325 -11.965 -4.559 1.00 1.11 H new ATOM 838 N SER A 55 15.696 -13.355 -7.159 1.00 1.18 N ATOM 839 CA SER A 55 16.967 -13.686 -7.789 1.00 1.25 C ATOM 840 C SER A 55 18.014 -12.622 -7.471 1.00 1.11 C ATOM 841 O SER A 55 17.748 -11.426 -7.579 1.00 1.10 O ATOM 842 CB SER A 55 16.789 -13.821 -9.301 1.00 1.41 C ATOM 843 OG SER A 55 16.526 -12.564 -9.897 1.00 1.61 O ATOM 0 H SER A 55 14.892 -13.385 -7.786 1.00 1.18 H new ATOM 0 HA SER A 55 17.313 -14.640 -7.391 1.00 1.25 H new ATOM 0 HB2 SER A 55 17.688 -14.254 -9.739 1.00 1.41 H new ATOM 0 HB3 SER A 55 15.969 -14.507 -9.514 1.00 1.41 H new ATOM 0 HG SER A 55 16.959 -12.521 -10.775 1.00 1.61 H new ATOM 849 N LEU A 56 19.205 -13.069 -7.080 1.00 1.15 N ATOM 850 CA LEU A 56 20.299 -12.163 -6.730 1.00 1.10 C ATOM 851 C LEU A 56 20.380 -10.976 -7.686 1.00 0.98 C ATOM 852 O LEU A 56 20.509 -9.831 -7.254 1.00 0.97 O ATOM 853 CB LEU A 56 21.628 -12.922 -6.716 1.00 1.28 C ATOM 854 CG LEU A 56 22.014 -13.580 -8.040 1.00 2.03 C ATOM 855 CD1 LEU A 56 22.914 -12.660 -8.852 1.00 2.61 C ATOM 856 CD2 LEU A 56 22.699 -14.915 -7.789 1.00 2.83 C ATOM 0 H LEU A 56 19.439 -14.058 -6.997 1.00 1.15 H new ATOM 0 HA LEU A 56 20.097 -11.770 -5.733 1.00 1.10 H new ATOM 0 HB2 LEU A 56 22.420 -12.231 -6.427 1.00 1.28 H new ATOM 0 HB3 LEU A 56 21.581 -13.692 -5.946 1.00 1.28 H new ATOM 0 HG LEU A 56 21.105 -13.762 -8.613 1.00 2.03 H new ATOM 0 HD11 LEU A 56 23.178 -13.146 -9.791 1.00 2.61 H new ATOM 0 HD12 LEU A 56 22.388 -11.728 -9.061 1.00 2.61 H new ATOM 0 HD13 LEU A 56 23.821 -12.446 -8.286 1.00 2.61 H new ATOM 0 HD21 LEU A 56 22.968 -15.371 -8.742 1.00 2.83 H new ATOM 0 HD22 LEU A 56 23.600 -14.756 -7.196 1.00 2.83 H new ATOM 0 HD23 LEU A 56 22.021 -15.576 -7.249 1.00 2.83 H new ATOM 868 N ASP A 57 20.298 -11.248 -8.982 1.00 1.00 N ATOM 869 CA ASP A 57 20.357 -10.184 -9.978 1.00 1.01 C ATOM 870 C ASP A 57 19.198 -9.229 -9.805 1.00 0.95 C ATOM 871 O ASP A 57 19.380 -8.015 -9.763 1.00 0.96 O ATOM 872 CB ASP A 57 20.314 -10.733 -11.395 1.00 1.15 C ATOM 873 CG ASP A 57 19.393 -11.929 -11.537 1.00 1.69 C ATOM 874 OD1 ASP A 57 18.188 -11.724 -11.795 1.00 2.20 O ATOM 875 OD2 ASP A 57 19.876 -13.071 -11.390 1.00 2.48 O ATOM 0 H ASP A 57 20.191 -12.187 -9.366 1.00 1.00 H new ATOM 0 HA ASP A 57 21.303 -9.664 -9.825 1.00 1.01 H new ATOM 0 HB2 ASP A 57 19.986 -9.946 -12.074 1.00 1.15 H new ATOM 0 HB3 ASP A 57 21.321 -11.018 -11.699 1.00 1.15 H new ATOM 880 N GLU A 58 17.997 -9.794 -9.708 1.00 0.94 N ATOM 881 CA GLU A 58 16.785 -9.005 -9.538 1.00 0.95 C ATOM 882 C GLU A 58 17.009 -7.979 -8.450 1.00 0.87 C ATOM 883 O GLU A 58 16.691 -6.800 -8.604 1.00 0.90 O ATOM 884 CB GLU A 58 15.606 -9.907 -9.166 1.00 0.98 C ATOM 885 CG GLU A 58 14.298 -9.155 -9.010 1.00 1.43 C ATOM 886 CD GLU A 58 13.787 -8.596 -10.321 1.00 1.80 C ATOM 887 OE1 GLU A 58 13.111 -9.341 -11.061 1.00 2.29 O ATOM 888 OE2 GLU A 58 14.063 -7.412 -10.609 1.00 2.42 O ATOM 0 H GLU A 58 17.840 -10.801 -9.745 1.00 0.94 H new ATOM 0 HA GLU A 58 16.552 -8.503 -10.477 1.00 0.95 H new ATOM 0 HB2 GLU A 58 15.487 -10.672 -9.933 1.00 0.98 H new ATOM 0 HB3 GLU A 58 15.833 -10.423 -8.233 1.00 0.98 H new ATOM 0 HG2 GLU A 58 13.548 -9.823 -8.587 1.00 1.43 H new ATOM 0 HG3 GLU A 58 14.435 -8.339 -8.300 1.00 1.43 H new ATOM 895 N LYS A 59 17.589 -8.451 -7.358 1.00 0.81 N ATOM 896 CA LYS A 59 17.894 -7.600 -6.234 1.00 0.76 C ATOM 897 C LYS A 59 18.845 -6.483 -6.646 1.00 0.80 C ATOM 898 O LYS A 59 18.797 -5.378 -6.103 1.00 0.79 O ATOM 899 CB LYS A 59 18.510 -8.419 -5.099 1.00 0.75 C ATOM 900 CG LYS A 59 17.507 -9.170 -4.228 1.00 0.75 C ATOM 901 CD LYS A 59 17.631 -10.670 -4.406 1.00 1.14 C ATOM 902 CE LYS A 59 18.842 -11.210 -3.668 1.00 1.95 C ATOM 903 NZ LYS A 59 18.909 -12.694 -3.727 1.00 2.67 N ATOM 0 H LYS A 59 17.857 -9.427 -7.232 1.00 0.81 H new ATOM 0 HA LYS A 59 16.964 -7.152 -5.883 1.00 0.76 H new ATOM 0 HB2 LYS A 59 19.207 -9.139 -5.528 1.00 0.75 H new ATOM 0 HB3 LYS A 59 19.092 -7.751 -4.464 1.00 0.75 H new ATOM 0 HG2 LYS A 59 17.668 -8.912 -3.181 1.00 0.75 H new ATOM 0 HG3 LYS A 59 16.495 -8.855 -4.482 1.00 0.75 H new ATOM 0 HD2 LYS A 59 16.729 -11.159 -4.038 1.00 1.14 H new ATOM 0 HD3 LYS A 59 17.712 -10.908 -5.467 1.00 1.14 H new ATOM 0 HE2 LYS A 59 19.749 -10.788 -4.101 1.00 1.95 H new ATOM 0 HE3 LYS A 59 18.806 -10.889 -2.627 1.00 1.95 H new ATOM 0 HZ1 LYS A 59 19.201 -13.065 -2.801 1.00 2.67 H new ATOM 0 HZ2 LYS A 59 17.973 -13.074 -3.973 1.00 2.67 H new ATOM 0 HZ3 LYS A 59 19.600 -12.982 -4.449 1.00 2.67 H new ATOM 917 N MET A 60 19.714 -6.779 -7.607 1.00 0.86 N ATOM 918 CA MET A 60 20.680 -5.807 -8.087 1.00 0.92 C ATOM 919 C MET A 60 20.058 -4.839 -9.094 1.00 0.96 C ATOM 920 O MET A 60 20.434 -3.668 -9.156 1.00 1.01 O ATOM 921 CB MET A 60 21.879 -6.515 -8.726 1.00 1.00 C ATOM 922 CG MET A 60 22.627 -7.432 -7.771 1.00 1.00 C ATOM 923 SD MET A 60 24.255 -7.902 -8.390 1.00 1.73 S ATOM 924 CE MET A 60 23.820 -8.710 -9.927 1.00 2.31 C ATOM 0 H MET A 60 19.766 -7.688 -8.067 1.00 0.86 H new ATOM 0 HA MET A 60 21.015 -5.230 -7.225 1.00 0.92 H new ATOM 0 HB2 MET A 60 21.533 -7.098 -9.579 1.00 1.00 H new ATOM 0 HB3 MET A 60 22.570 -5.765 -9.111 1.00 1.00 H new ATOM 0 HG2 MET A 60 22.739 -6.934 -6.808 1.00 1.00 H new ATOM 0 HG3 MET A 60 22.035 -8.331 -7.598 1.00 1.00 H new ATOM 0 HE1 MET A 60 24.719 -8.865 -10.524 1.00 2.31 H new ATOM 0 HE2 MET A 60 23.356 -9.673 -9.713 1.00 2.31 H new ATOM 0 HE3 MET A 60 23.120 -8.085 -10.481 1.00 2.31 H new ATOM 934 N LYS A 61 19.106 -5.334 -9.883 1.00 0.97 N ATOM 935 CA LYS A 61 18.443 -4.506 -10.896 1.00 1.02 C ATOM 936 C LYS A 61 17.390 -3.638 -10.247 1.00 0.96 C ATOM 937 O LYS A 61 17.443 -2.411 -10.327 1.00 0.92 O ATOM 938 CB LYS A 61 17.787 -5.351 -11.995 1.00 1.08 C ATOM 939 CG LYS A 61 18.257 -6.793 -12.052 1.00 1.55 C ATOM 940 CD LYS A 61 17.720 -7.512 -13.280 1.00 2.07 C ATOM 941 CE LYS A 61 18.224 -6.878 -14.566 1.00 2.59 C ATOM 942 NZ LYS A 61 17.765 -7.624 -15.770 1.00 3.16 N ATOM 0 H LYS A 61 18.776 -6.298 -9.843 1.00 0.97 H new ATOM 0 HA LYS A 61 19.212 -3.887 -11.358 1.00 1.02 H new ATOM 0 HB2 LYS A 61 16.707 -5.341 -11.846 1.00 1.08 H new ATOM 0 HB3 LYS A 61 17.981 -4.882 -12.960 1.00 1.08 H new ATOM 0 HG2 LYS A 61 19.347 -6.820 -12.062 1.00 1.55 H new ATOM 0 HG3 LYS A 61 17.933 -7.317 -11.153 1.00 1.55 H new ATOM 0 HD2 LYS A 61 18.020 -8.560 -13.249 1.00 2.07 H new ATOM 0 HD3 LYS A 61 16.630 -7.492 -13.267 1.00 2.07 H new ATOM 0 HE2 LYS A 61 17.875 -5.847 -14.623 1.00 2.59 H new ATOM 0 HE3 LYS A 61 19.313 -6.846 -14.552 1.00 2.59 H new ATOM 0 HZ1 LYS A 61 18.130 -7.160 -16.626 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 18.119 -8.601 -15.729 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 16.725 -7.633 -15.797 1.00 3.16 H new ATOM 956 N THR A 62 16.426 -4.282 -9.598 1.00 0.98 N ATOM 957 CA THR A 62 15.370 -3.552 -8.916 1.00 0.96 C ATOM 958 C THR A 62 15.988 -2.527 -7.979 1.00 0.86 C ATOM 959 O THR A 62 15.368 -1.522 -7.632 1.00 0.84 O ATOM 960 CB THR A 62 14.443 -4.485 -8.118 1.00 1.02 C ATOM 961 OG1 THR A 62 13.946 -5.531 -8.963 1.00 1.12 O ATOM 962 CG2 THR A 62 13.275 -3.707 -7.533 1.00 1.05 C ATOM 0 H THR A 62 16.356 -5.297 -9.531 1.00 0.98 H new ATOM 0 HA THR A 62 14.765 -3.057 -9.676 1.00 0.96 H new ATOM 0 HB THR A 62 15.020 -4.923 -7.303 1.00 1.02 H new ATOM 0 HG1 THR A 62 14.671 -6.158 -9.169 1.00 1.12 H new ATOM 0 HG21 THR A 62 12.631 -4.384 -6.972 1.00 1.05 H new ATOM 0 HG22 THR A 62 13.652 -2.931 -6.867 1.00 1.05 H new ATOM 0 HG23 THR A 62 12.704 -3.247 -8.339 1.00 1.05 H new ATOM 970 N LEU A 63 17.232 -2.802 -7.569 1.00 0.86 N ATOM 971 CA LEU A 63 17.992 -1.908 -6.708 1.00 0.84 C ATOM 972 C LEU A 63 17.814 -0.465 -7.178 1.00 0.80 C ATOM 973 O LEU A 63 17.664 0.456 -6.377 1.00 0.89 O ATOM 974 CB LEU A 63 19.467 -2.319 -6.753 1.00 0.95 C ATOM 975 CG LEU A 63 20.352 -1.747 -5.650 1.00 0.92 C ATOM 976 CD1 LEU A 63 21.413 -2.757 -5.245 1.00 1.05 C ATOM 977 CD2 LEU A 63 21.002 -0.453 -6.115 1.00 1.40 C ATOM 0 H LEU A 63 17.734 -3.651 -7.828 1.00 0.86 H new ATOM 0 HA LEU A 63 17.633 -1.976 -5.681 1.00 0.84 H new ATOM 0 HB2 LEU A 63 19.523 -3.407 -6.709 1.00 0.95 H new ATOM 0 HB3 LEU A 63 19.879 -2.017 -7.716 1.00 0.95 H new ATOM 0 HG LEU A 63 19.730 -1.532 -4.781 1.00 0.92 H new ATOM 0 HD11 LEU A 63 22.036 -2.334 -4.457 1.00 1.05 H new ATOM 0 HD12 LEU A 63 20.931 -3.664 -4.879 1.00 1.05 H new ATOM 0 HD13 LEU A 63 22.033 -2.999 -6.108 1.00 1.05 H new ATOM 0 HD21 LEU A 63 21.631 -0.055 -5.319 1.00 1.40 H new ATOM 0 HD22 LEU A 63 21.613 -0.649 -6.996 1.00 1.40 H new ATOM 0 HD23 LEU A 63 20.229 0.274 -6.364 1.00 1.40 H new ATOM 989 N ASP A 64 17.836 -0.290 -8.495 1.00 0.79 N ATOM 990 CA ASP A 64 17.639 1.018 -9.098 1.00 0.82 C ATOM 991 C ASP A 64 16.148 1.327 -9.178 1.00 0.82 C ATOM 992 O ASP A 64 15.719 2.457 -8.943 1.00 0.89 O ATOM 993 CB ASP A 64 18.258 1.059 -10.495 1.00 0.91 C ATOM 994 CG ASP A 64 18.354 2.469 -11.045 1.00 1.35 C ATOM 995 OD1 ASP A 64 19.341 3.164 -10.726 1.00 2.05 O ATOM 996 OD2 ASP A 64 17.441 2.877 -11.793 1.00 1.99 O ATOM 0 H ASP A 64 17.989 -1.043 -9.166 1.00 0.79 H new ATOM 0 HA ASP A 64 18.129 1.770 -8.479 1.00 0.82 H new ATOM 0 HB2 ASP A 64 19.254 0.617 -10.461 1.00 0.91 H new ATOM 0 HB3 ASP A 64 17.661 0.448 -11.172 1.00 0.91 H new ATOM 1001 N VAL A 65 15.363 0.302 -9.512 1.00 0.82 N ATOM 1002 CA VAL A 65 13.916 0.440 -9.620 1.00 0.87 C ATOM 1003 C VAL A 65 13.328 0.987 -8.323 1.00 0.77 C ATOM 1004 O VAL A 65 12.666 2.025 -8.321 1.00 0.82 O ATOM 1005 CB VAL A 65 13.246 -0.907 -9.962 1.00 0.95 C ATOM 1006 CG1 VAL A 65 11.735 -0.749 -10.049 1.00 1.06 C ATOM 1007 CG2 VAL A 65 13.805 -1.460 -11.263 1.00 1.07 C ATOM 0 H VAL A 65 15.710 -0.636 -9.713 1.00 0.82 H new ATOM 0 HA VAL A 65 13.717 1.142 -10.430 1.00 0.87 H new ATOM 0 HB VAL A 65 13.467 -1.615 -9.163 1.00 0.95 H new ATOM 0 HG11 VAL A 65 11.282 -1.710 -10.291 1.00 1.06 H new ATOM 0 HG12 VAL A 65 11.350 -0.397 -9.092 1.00 1.06 H new ATOM 0 HG13 VAL A 65 11.489 -0.026 -10.827 1.00 1.06 H new ATOM 0 HG21 VAL A 65 13.323 -2.411 -11.491 1.00 1.07 H new ATOM 0 HG22 VAL A 65 13.614 -0.753 -12.071 1.00 1.07 H new ATOM 0 HG23 VAL A 65 14.879 -1.613 -11.161 1.00 1.07 H new ATOM 1017 N ASN A 66 13.573 0.282 -7.219 1.00 0.72 N ATOM 1018 CA ASN A 66 13.089 0.712 -5.905 1.00 0.68 C ATOM 1019 C ASN A 66 14.011 1.745 -5.271 1.00 0.57 C ATOM 1020 O ASN A 66 14.146 1.785 -4.048 1.00 0.57 O ATOM 1021 CB ASN A 66 12.991 -0.465 -4.948 1.00 0.82 C ATOM 1022 CG ASN A 66 11.946 -1.492 -5.349 1.00 0.81 C ATOM 1023 OD1 ASN A 66 12.183 -2.697 -5.257 1.00 1.51 O ATOM 1024 ND2 ASN A 66 10.778 -1.027 -5.777 1.00 1.10 N ATOM 0 H ASN A 66 14.103 -0.589 -7.207 1.00 0.72 H new ATOM 0 HA ASN A 66 12.106 1.151 -6.073 1.00 0.68 H new ATOM 0 HB2 ASN A 66 13.963 -0.954 -4.886 1.00 0.82 H new ATOM 0 HB3 ASN A 66 12.758 -0.093 -3.951 1.00 0.82 H new ATOM 0 HD21 ASN A 66 10.038 -1.676 -6.044 1.00 1.10 H new ATOM 0 HD22 ASN A 66 10.621 -0.021 -5.839 1.00 1.10 H new ATOM 1031 N GLN A 67 14.627 2.593 -6.077 1.00 0.62 N ATOM 1032 CA GLN A 67 15.532 3.589 -5.564 1.00 0.68 C ATOM 1033 C GLN A 67 14.796 4.442 -4.560 1.00 0.61 C ATOM 1034 O GLN A 67 15.096 4.454 -3.366 1.00 0.66 O ATOM 1035 CB GLN A 67 16.017 4.450 -6.718 1.00 0.88 C ATOM 1036 CG GLN A 67 16.774 5.685 -6.312 1.00 0.74 C ATOM 1037 CD GLN A 67 16.419 6.876 -7.148 1.00 1.15 C ATOM 1038 OE1 GLN A 67 17.286 7.593 -7.648 1.00 1.97 O ATOM 1039 NE2 GLN A 67 15.122 7.114 -7.271 1.00 1.36 N ATOM 0 H GLN A 67 14.512 2.606 -7.090 1.00 0.62 H new ATOM 0 HA GLN A 67 16.387 3.116 -5.081 1.00 0.68 H new ATOM 0 HB2 GLN A 67 16.656 3.844 -7.360 1.00 0.88 H new ATOM 0 HB3 GLN A 67 15.156 4.749 -7.316 1.00 0.88 H new ATOM 0 HG2 GLN A 67 16.568 5.906 -5.265 1.00 0.74 H new ATOM 0 HG3 GLN A 67 17.844 5.494 -6.393 1.00 0.74 H new ATOM 0 HE21 GLN A 67 14.445 6.487 -6.836 1.00 1.36 H new ATOM 0 HE22 GLN A 67 14.800 7.924 -7.801 1.00 1.36 H new ATOM 1048 N ASP A 68 13.826 5.150 -5.087 1.00 0.59 N ATOM 1049 CA ASP A 68 12.998 6.041 -4.294 1.00 0.62 C ATOM 1050 C ASP A 68 11.802 5.311 -3.701 1.00 0.59 C ATOM 1051 O ASP A 68 10.831 5.956 -3.316 1.00 0.66 O ATOM 1052 CB ASP A 68 12.525 7.240 -5.120 1.00 0.74 C ATOM 1053 CG ASP A 68 13.611 8.283 -5.298 1.00 1.00 C ATOM 1054 OD1 ASP A 68 14.436 8.445 -4.375 1.00 1.51 O ATOM 1055 OD2 ASP A 68 13.636 8.936 -6.363 1.00 1.62 O ATOM 0 H ASP A 68 13.584 5.128 -6.078 1.00 0.59 H new ATOM 0 HA ASP A 68 13.616 6.406 -3.474 1.00 0.62 H new ATOM 0 HB2 ASP A 68 12.192 6.895 -6.099 1.00 0.74 H new ATOM 0 HB3 ASP A 68 11.663 7.696 -4.633 1.00 0.74 H new ATOM 1060 N SER A 69 11.875 3.971 -3.589 1.00 0.56 N ATOM 1061 CA SER A 69 10.756 3.183 -3.058 1.00 0.59 C ATOM 1062 C SER A 69 10.200 3.868 -1.828 1.00 0.63 C ATOM 1063 O SER A 69 9.010 3.795 -1.526 1.00 0.75 O ATOM 1064 CB SER A 69 11.184 1.751 -2.738 1.00 0.68 C ATOM 1065 OG SER A 69 10.828 0.870 -3.790 1.00 1.75 O ATOM 0 H SER A 69 12.690 3.420 -3.857 1.00 0.56 H new ATOM 0 HA SER A 69 9.978 3.123 -3.819 1.00 0.59 H new ATOM 0 HB2 SER A 69 12.262 1.716 -2.578 1.00 0.68 H new ATOM 0 HB3 SER A 69 10.713 1.425 -1.810 1.00 0.68 H new ATOM 0 HG SER A 69 10.134 1.285 -4.344 1.00 1.75 H new ATOM 1071 N GLU A 70 11.097 4.543 -1.136 1.00 0.64 N ATOM 1072 CA GLU A 70 10.730 5.337 0.013 1.00 0.76 C ATOM 1073 C GLU A 70 11.341 6.695 -0.106 1.00 0.78 C ATOM 1074 O GLU A 70 12.391 6.890 -0.719 1.00 0.81 O ATOM 1075 CB GLU A 70 11.168 4.761 1.354 1.00 0.85 C ATOM 1076 CG GLU A 70 11.163 5.830 2.477 1.00 1.33 C ATOM 1077 CD GLU A 70 11.730 5.410 3.792 1.00 2.19 C ATOM 1078 OE1 GLU A 70 12.627 4.556 3.809 1.00 2.72 O ATOM 1079 OE2 GLU A 70 11.312 5.996 4.811 1.00 2.88 O ATOM 0 H GLU A 70 12.093 4.555 -1.355 1.00 0.64 H new ATOM 0 HA GLU A 70 9.640 5.359 0.008 1.00 0.76 H new ATOM 0 HB2 GLU A 70 10.504 3.942 1.631 1.00 0.85 H new ATOM 0 HB3 GLU A 70 12.169 4.341 1.258 1.00 0.85 H new ATOM 0 HG2 GLU A 70 11.721 6.698 2.126 1.00 1.33 H new ATOM 0 HG3 GLU A 70 10.135 6.155 2.636 1.00 1.33 H new ATOM 1086 N LEU A 71 10.656 7.628 0.495 1.00 0.79 N ATOM 1087 CA LEU A 71 11.113 8.962 0.519 1.00 0.83 C ATOM 1088 C LEU A 71 10.674 9.727 1.747 1.00 0.81 C ATOM 1089 O LEU A 71 9.825 9.288 2.524 1.00 0.86 O ATOM 1090 CB LEU A 71 10.703 9.678 -0.727 1.00 0.99 C ATOM 1091 CG LEU A 71 9.226 9.632 -1.006 1.00 0.79 C ATOM 1092 CD1 LEU A 71 8.766 8.187 -1.217 1.00 1.89 C ATOM 1093 CD2 LEU A 71 8.461 10.326 0.097 1.00 1.26 C ATOM 0 H LEU A 71 9.770 7.471 0.976 1.00 0.79 H new ATOM 0 HA LEU A 71 12.201 8.914 0.566 1.00 0.83 H new ATOM 0 HB2 LEU A 71 11.015 10.720 -0.654 1.00 0.99 H new ATOM 0 HB3 LEU A 71 11.235 9.244 -1.574 1.00 0.99 H new ATOM 0 HG LEU A 71 9.018 10.171 -1.930 1.00 0.79 H new ATOM 0 HD11 LEU A 71 7.695 8.172 -1.418 1.00 1.89 H new ATOM 0 HD12 LEU A 71 9.300 7.755 -2.063 1.00 1.89 H new ATOM 0 HD13 LEU A 71 8.975 7.604 -0.320 1.00 1.89 H new ATOM 0 HD21 LEU A 71 7.393 10.285 -0.119 1.00 1.26 H new ATOM 0 HD22 LEU A 71 8.659 9.828 1.046 1.00 1.26 H new ATOM 0 HD23 LEU A 71 8.778 11.367 0.161 1.00 1.26 H new ATOM 1105 N ARG A 72 11.287 10.872 1.896 1.00 0.77 N ATOM 1106 CA ARG A 72 10.986 11.820 2.944 1.00 0.79 C ATOM 1107 C ARG A 72 10.465 13.109 2.293 1.00 0.68 C ATOM 1108 O ARG A 72 10.069 14.045 2.984 1.00 0.75 O ATOM 1109 CB ARG A 72 12.244 12.165 3.740 1.00 0.91 C ATOM 1110 CG ARG A 72 13.286 11.073 3.773 1.00 1.00 C ATOM 1111 CD ARG A 72 12.715 9.767 4.273 1.00 1.06 C ATOM 1112 NE ARG A 72 12.630 9.730 5.733 1.00 1.30 N ATOM 1113 CZ ARG A 72 11.729 9.021 6.412 1.00 1.18 C ATOM 1114 NH1 ARG A 72 10.838 8.274 5.774 1.00 1.56 N ATOM 1115 NH2 ARG A 72 11.722 9.057 7.738 1.00 1.42 N ATOM 0 H ARG A 72 12.033 11.183 1.274 1.00 0.77 H new ATOM 0 HA ARG A 72 10.247 11.383 3.615 1.00 0.79 H new ATOM 0 HB2 ARG A 72 12.692 13.064 3.315 1.00 0.91 H new ATOM 0 HB3 ARG A 72 11.956 12.405 4.763 1.00 0.91 H new ATOM 0 HG2 ARG A 72 13.696 10.931 2.773 1.00 1.00 H new ATOM 0 HG3 ARG A 72 14.112 11.378 4.415 1.00 1.00 H new ATOM 0 HD2 ARG A 72 11.722 9.619 3.848 1.00 1.06 H new ATOM 0 HD3 ARG A 72 13.337 8.942 3.925 1.00 1.06 H new ATOM 0 HE ARG A 72 13.303 10.282 6.265 1.00 1.30 H new ATOM 0 HH11 ARG A 72 10.838 8.239 4.755 1.00 1.56 H new ATOM 0 HH12 ARG A 72 10.152 7.735 6.303 1.00 1.56 H new ATOM 0 HH21 ARG A 72 12.406 9.627 8.236 1.00 1.42 H new ATOM 0 HH22 ARG A 72 11.033 8.515 8.259 1.00 1.42 H new ATOM 1129 N PHE A 73 10.458 13.141 0.945 1.00 0.60 N ATOM 1130 CA PHE A 73 10.046 14.314 0.206 1.00 0.57 C ATOM 1131 C PHE A 73 8.806 14.029 -0.676 1.00 0.51 C ATOM 1132 O PHE A 73 7.781 13.605 -0.146 1.00 0.63 O ATOM 1133 CB PHE A 73 11.266 14.902 -0.552 1.00 0.64 C ATOM 1134 CG PHE A 73 11.817 14.112 -1.727 1.00 0.58 C ATOM 1135 CD1 PHE A 73 12.177 12.765 -1.637 1.00 1.24 C ATOM 1136 CD2 PHE A 73 11.958 14.747 -2.953 1.00 1.36 C ATOM 1137 CE1 PHE A 73 12.656 12.092 -2.746 1.00 1.31 C ATOM 1138 CE2 PHE A 73 12.442 14.075 -4.054 1.00 1.44 C ATOM 1139 CZ PHE A 73 12.790 12.748 -3.951 1.00 0.86 C ATOM 0 H PHE A 73 10.738 12.355 0.359 1.00 0.60 H new ATOM 0 HA PHE A 73 9.707 15.089 0.894 1.00 0.57 H new ATOM 0 HB2 PHE A 73 10.990 15.892 -0.914 1.00 0.64 H new ATOM 0 HB3 PHE A 73 12.073 15.039 0.168 1.00 0.64 H new ATOM 0 HD1 PHE A 73 12.081 12.246 -0.695 1.00 1.24 H new ATOM 0 HD2 PHE A 73 11.683 15.787 -3.046 1.00 1.36 H new ATOM 0 HE1 PHE A 73 12.926 11.049 -2.668 1.00 1.31 H new ATOM 0 HE2 PHE A 73 12.548 14.590 -4.998 1.00 1.44 H new ATOM 0 HZ PHE A 73 13.168 12.220 -4.814 1.00 0.86 H new ATOM 1149 N SER A 74 8.864 14.246 -1.996 1.00 0.48 N ATOM 1150 CA SER A 74 7.683 14.029 -2.838 1.00 0.46 C ATOM 1151 C SER A 74 7.722 12.754 -3.629 1.00 0.42 C ATOM 1152 O SER A 74 6.854 12.517 -4.467 1.00 0.47 O ATOM 1153 CB SER A 74 7.462 15.190 -3.802 1.00 0.60 C ATOM 1154 OG SER A 74 8.696 15.695 -4.285 1.00 1.01 O ATOM 0 H SER A 74 9.695 14.564 -2.494 1.00 0.48 H new ATOM 0 HA SER A 74 6.855 13.957 -2.133 1.00 0.46 H new ATOM 0 HB2 SER A 74 6.848 14.859 -4.640 1.00 0.60 H new ATOM 0 HB3 SER A 74 6.912 15.985 -3.298 1.00 0.60 H new ATOM 0 HG SER A 74 8.527 16.437 -4.902 1.00 1.01 H new ATOM 1160 N GLU A 75 8.688 11.920 -3.367 1.00 0.43 N ATOM 1161 CA GLU A 75 8.763 10.671 -4.093 1.00 0.42 C ATOM 1162 C GLU A 75 7.684 9.686 -3.597 1.00 0.42 C ATOM 1163 O GLU A 75 7.561 8.594 -4.134 1.00 0.55 O ATOM 1164 CB GLU A 75 10.162 10.057 -3.911 1.00 0.44 C ATOM 1165 CG GLU A 75 11.166 10.403 -4.983 1.00 0.60 C ATOM 1166 CD GLU A 75 10.894 9.711 -6.303 1.00 0.93 C ATOM 1167 OE1 GLU A 75 9.939 8.912 -6.367 1.00 1.60 O ATOM 1168 OE2 GLU A 75 11.637 9.969 -7.274 1.00 1.42 O ATOM 0 H GLU A 75 9.422 12.070 -2.674 1.00 0.43 H new ATOM 0 HA GLU A 75 8.585 10.867 -5.151 1.00 0.42 H new ATOM 0 HB2 GLU A 75 10.559 10.379 -2.948 1.00 0.44 H new ATOM 0 HB3 GLU A 75 10.061 8.973 -3.868 1.00 0.44 H new ATOM 0 HG2 GLU A 75 11.164 11.482 -5.139 1.00 0.60 H new ATOM 0 HG3 GLU A 75 12.164 10.133 -4.638 1.00 0.60 H new ATOM 1175 N TYR A 76 6.911 10.082 -2.548 1.00 0.38 N ATOM 1176 CA TYR A 76 5.883 9.214 -1.926 1.00 0.38 C ATOM 1177 C TYR A 76 5.110 8.385 -2.923 1.00 0.39 C ATOM 1178 O TYR A 76 4.605 7.323 -2.583 1.00 0.43 O ATOM 1179 CB TYR A 76 4.940 10.009 -1.010 1.00 0.40 C ATOM 1180 CG TYR A 76 5.327 9.978 0.458 1.00 0.41 C ATOM 1181 CD1 TYR A 76 6.099 8.947 0.986 1.00 1.29 C ATOM 1182 CD2 TYR A 76 4.978 11.020 1.303 1.00 1.22 C ATOM 1183 CE1 TYR A 76 6.509 8.950 2.286 1.00 1.30 C ATOM 1184 CE2 TYR A 76 5.377 11.026 2.627 1.00 1.25 C ATOM 1185 CZ TYR A 76 6.148 9.990 3.115 1.00 0.49 C ATOM 1186 OH TYR A 76 6.559 9.999 4.428 1.00 0.55 O ATOM 0 H TYR A 76 6.985 11.003 -2.117 1.00 0.38 H new ATOM 0 HA TYR A 76 6.435 8.506 -1.308 1.00 0.38 H new ATOM 0 HB2 TYR A 76 4.914 11.046 -1.346 1.00 0.40 H new ATOM 0 HB3 TYR A 76 3.930 9.614 -1.116 1.00 0.40 H new ATOM 0 HD1 TYR A 76 6.381 8.122 0.348 1.00 1.29 H new ATOM 0 HD2 TYR A 76 4.386 11.839 0.922 1.00 1.22 H new ATOM 0 HE1 TYR A 76 7.115 8.140 2.665 1.00 1.30 H new ATOM 0 HE2 TYR A 76 5.087 11.838 3.277 1.00 1.25 H new ATOM 0 HH TYR A 76 6.218 10.804 4.872 1.00 0.55 H new ATOM 1196 N TRP A 77 5.051 8.826 -4.154 1.00 0.39 N ATOM 1197 CA TRP A 77 4.383 8.042 -5.182 1.00 0.43 C ATOM 1198 C TRP A 77 5.096 6.695 -5.345 1.00 0.45 C ATOM 1199 O TRP A 77 4.607 5.811 -6.042 1.00 0.49 O ATOM 1200 CB TRP A 77 4.408 8.771 -6.520 1.00 0.44 C ATOM 1201 CG TRP A 77 5.802 8.977 -7.011 1.00 0.44 C ATOM 1202 CD1 TRP A 77 6.674 8.010 -7.409 1.00 0.49 C ATOM 1203 CD2 TRP A 77 6.492 10.219 -7.131 1.00 0.45 C ATOM 1204 NE1 TRP A 77 7.871 8.573 -7.763 1.00 0.52 N ATOM 1205 CE2 TRP A 77 7.783 9.934 -7.610 1.00 0.50 C ATOM 1206 CE3 TRP A 77 6.140 11.542 -6.882 1.00 0.46 C ATOM 1207 CZ2 TRP A 77 8.724 10.933 -7.843 1.00 0.55 C ATOM 1208 CZ3 TRP A 77 7.070 12.533 -7.113 1.00 0.51 C ATOM 1209 CH2 TRP A 77 8.352 12.226 -7.589 1.00 0.55 C ATOM 0 H TRP A 77 5.448 9.709 -4.474 1.00 0.39 H new ATOM 0 HA TRP A 77 3.348 7.890 -4.876 1.00 0.43 H new ATOM 0 HB2 TRP A 77 3.844 8.199 -7.257 1.00 0.44 H new ATOM 0 HB3 TRP A 77 3.912 9.736 -6.418 1.00 0.44 H new ATOM 0 HD1 TRP A 77 6.454 6.953 -7.441 1.00 0.49 H new ATOM 0 HE1 TRP A 77 8.693 8.064 -8.087 1.00 0.52 H new ATOM 0 HE3 TRP A 77 5.155 11.788 -6.514 1.00 0.46 H new ATOM 0 HZ2 TRP A 77 9.712 10.697 -8.211 1.00 0.55 H new ATOM 0 HZ3 TRP A 77 6.806 13.563 -6.924 1.00 0.51 H new ATOM 0 HH2 TRP A 77 9.060 13.024 -7.759 1.00 0.55 H new ATOM 1220 N ARG A 78 6.274 6.555 -4.719 1.00 0.43 N ATOM 1221 CA ARG A 78 7.049 5.341 -4.802 1.00 0.47 C ATOM 1222 C ARG A 78 6.493 4.312 -3.839 1.00 0.49 C ATOM 1223 O ARG A 78 6.315 3.152 -4.209 1.00 0.61 O ATOM 1224 CB ARG A 78 8.513 5.653 -4.520 1.00 0.50 C ATOM 1225 CG ARG A 78 9.174 6.473 -5.614 1.00 0.60 C ATOM 1226 CD ARG A 78 9.645 5.609 -6.772 1.00 0.77 C ATOM 1227 NE ARG A 78 8.536 4.998 -7.501 1.00 1.48 N ATOM 1228 CZ ARG A 78 8.625 3.847 -8.165 1.00 1.75 C ATOM 1229 NH1 ARG A 78 9.774 3.183 -8.213 1.00 1.37 N ATOM 1230 NH2 ARG A 78 7.563 3.365 -8.795 1.00 2.82 N ATOM 0 H ARG A 78 6.701 7.284 -4.148 1.00 0.43 H new ATOM 0 HA ARG A 78 6.984 4.921 -5.806 1.00 0.47 H new ATOM 0 HB2 ARG A 78 8.587 6.193 -3.576 1.00 0.50 H new ATOM 0 HB3 ARG A 78 9.059 4.718 -4.396 1.00 0.50 H new ATOM 0 HG2 ARG A 78 8.470 7.219 -5.982 1.00 0.60 H new ATOM 0 HG3 ARG A 78 10.023 7.014 -5.197 1.00 0.60 H new ATOM 0 HD2 ARG A 78 10.236 6.217 -7.458 1.00 0.77 H new ATOM 0 HD3 ARG A 78 10.302 4.826 -6.393 1.00 0.77 H new ATOM 0 HE ARG A 78 7.639 5.483 -7.501 1.00 1.48 H new ATOM 0 HH11 ARG A 78 10.598 3.554 -7.739 1.00 1.37 H new ATOM 0 HH12 ARG A 78 9.833 2.302 -8.724 1.00 1.37 H new ATOM 0 HH21 ARG A 78 6.680 3.875 -8.771 1.00 2.82 H new ATOM 0 HH22 ARG A 78 7.629 2.484 -9.304 1.00 2.82 H new ATOM 1244 N LEU A 79 6.209 4.723 -2.591 1.00 0.43 N ATOM 1245 CA LEU A 79 5.603 3.795 -1.641 1.00 0.46 C ATOM 1246 C LEU A 79 4.389 3.147 -2.279 1.00 0.47 C ATOM 1247 O LEU A 79 3.979 2.047 -1.911 1.00 0.53 O ATOM 1248 CB LEU A 79 5.130 4.476 -0.370 1.00 0.55 C ATOM 1249 CG LEU A 79 5.893 5.711 0.054 1.00 0.63 C ATOM 1250 CD1 LEU A 79 5.352 6.195 1.389 1.00 1.24 C ATOM 1251 CD2 LEU A 79 7.366 5.402 0.156 1.00 0.89 C ATOM 0 H LEU A 79 6.385 5.661 -2.232 1.00 0.43 H new ATOM 0 HA LEU A 79 6.373 3.068 -1.382 1.00 0.46 H new ATOM 0 HB2 LEU A 79 4.082 4.749 -0.498 1.00 0.55 H new ATOM 0 HB3 LEU A 79 5.174 3.751 0.443 1.00 0.55 H new ATOM 0 HG LEU A 79 5.763 6.497 -0.690 1.00 0.63 H new ATOM 0 HD11 LEU A 79 5.897 7.086 1.701 1.00 1.24 H new ATOM 0 HD12 LEU A 79 4.294 6.435 1.287 1.00 1.24 H new ATOM 0 HD13 LEU A 79 5.476 5.412 2.137 1.00 1.24 H new ATOM 0 HD21 LEU A 79 7.905 6.298 0.462 1.00 0.89 H new ATOM 0 HD22 LEU A 79 7.522 4.615 0.894 1.00 0.89 H new ATOM 0 HD23 LEU A 79 7.736 5.069 -0.814 1.00 0.89 H new ATOM 1263 N ILE A 80 3.811 3.854 -3.241 1.00 0.46 N ATOM 1264 CA ILE A 80 2.645 3.379 -3.943 1.00 0.49 C ATOM 1265 C ILE A 80 2.784 1.900 -4.331 1.00 0.49 C ATOM 1266 O ILE A 80 1.940 1.078 -3.974 1.00 0.51 O ATOM 1267 CB ILE A 80 2.343 4.304 -5.161 1.00 0.53 C ATOM 1268 CG1 ILE A 80 0.838 4.520 -5.312 1.00 0.60 C ATOM 1269 CG2 ILE A 80 2.925 3.774 -6.459 1.00 0.57 C ATOM 1270 CD1 ILE A 80 0.468 5.391 -6.494 1.00 1.16 C ATOM 0 H ILE A 80 4.142 4.768 -3.550 1.00 0.46 H new ATOM 0 HA ILE A 80 1.784 3.428 -3.276 1.00 0.49 H new ATOM 0 HB ILE A 80 2.829 5.258 -4.955 1.00 0.53 H new ATOM 0 HG12 ILE A 80 0.349 3.552 -5.417 1.00 0.60 H new ATOM 0 HG13 ILE A 80 0.451 4.975 -4.400 1.00 0.60 H new ATOM 0 HG21 ILE A 80 2.684 4.458 -7.272 1.00 0.57 H new ATOM 0 HG22 ILE A 80 4.008 3.690 -6.365 1.00 0.57 H new ATOM 0 HG23 ILE A 80 2.502 2.792 -6.673 1.00 0.57 H new ATOM 0 HD11 ILE A 80 -0.615 5.501 -6.540 1.00 1.16 H new ATOM 0 HD12 ILE A 80 0.928 6.373 -6.381 1.00 1.16 H new ATOM 0 HD13 ILE A 80 0.824 4.927 -7.414 1.00 1.16 H new ATOM 1282 N GLY A 81 3.844 1.571 -5.060 1.00 0.48 N ATOM 1283 CA GLY A 81 4.085 0.189 -5.436 1.00 0.49 C ATOM 1284 C GLY A 81 4.759 -0.592 -4.326 1.00 0.43 C ATOM 1285 O GLY A 81 5.004 -1.790 -4.463 1.00 0.43 O ATOM 0 H GLY A 81 4.541 2.235 -5.398 1.00 0.48 H new ATOM 0 HA2 GLY A 81 3.139 -0.288 -5.692 1.00 0.49 H new ATOM 0 HA3 GLY A 81 4.708 0.160 -6.330 1.00 0.49 H new ATOM 1289 N GLU A 82 5.053 0.089 -3.222 1.00 0.41 N ATOM 1290 CA GLU A 82 5.726 -0.539 -2.091 1.00 0.39 C ATOM 1291 C GLU A 82 4.750 -1.280 -1.201 1.00 0.33 C ATOM 1292 O GLU A 82 4.820 -2.500 -1.064 1.00 0.34 O ATOM 1293 CB GLU A 82 6.469 0.498 -1.271 1.00 0.43 C ATOM 1294 CG GLU A 82 7.628 1.140 -2.022 1.00 0.46 C ATOM 1295 CD GLU A 82 8.584 0.109 -2.587 1.00 0.71 C ATOM 1296 OE1 GLU A 82 9.453 -0.372 -1.830 1.00 1.47 O ATOM 1297 OE2 GLU A 82 8.464 -0.218 -3.786 1.00 1.39 O ATOM 0 H GLU A 82 4.835 1.076 -3.087 1.00 0.41 H new ATOM 0 HA GLU A 82 6.436 -1.259 -2.497 1.00 0.39 H new ATOM 0 HB2 GLU A 82 5.770 1.275 -0.961 1.00 0.43 H new ATOM 0 HB3 GLU A 82 6.848 0.030 -0.363 1.00 0.43 H new ATOM 0 HG2 GLU A 82 7.237 1.754 -2.833 1.00 0.46 H new ATOM 0 HG3 GLU A 82 8.170 1.806 -1.350 1.00 0.46 H new ATOM 1304 N LEU A 83 3.844 -0.528 -0.575 1.00 0.34 N ATOM 1305 CA LEU A 83 2.835 -1.116 0.299 1.00 0.35 C ATOM 1306 C LEU A 83 2.209 -2.324 -0.371 1.00 0.35 C ATOM 1307 O LEU A 83 1.742 -3.251 0.291 1.00 0.43 O ATOM 1308 CB LEU A 83 1.759 -0.085 0.639 1.00 0.43 C ATOM 1309 CG LEU A 83 2.069 0.797 1.847 1.00 0.50 C ATOM 1310 CD1 LEU A 83 1.238 2.070 1.806 1.00 1.26 C ATOM 1311 CD2 LEU A 83 1.806 0.035 3.136 1.00 1.31 C ATOM 0 H LEU A 83 3.790 0.487 -0.658 1.00 0.34 H new ATOM 0 HA LEU A 83 3.315 -1.434 1.224 1.00 0.35 H new ATOM 0 HB2 LEU A 83 1.603 0.555 -0.229 1.00 0.43 H new ATOM 0 HB3 LEU A 83 0.820 -0.608 0.821 1.00 0.43 H new ATOM 0 HG LEU A 83 3.123 1.073 1.813 1.00 0.50 H new ATOM 0 HD11 LEU A 83 1.472 2.686 2.674 1.00 1.26 H new ATOM 0 HD12 LEU A 83 1.466 2.624 0.896 1.00 1.26 H new ATOM 0 HD13 LEU A 83 0.179 1.814 1.818 1.00 1.26 H new ATOM 0 HD21 LEU A 83 2.031 0.675 3.989 1.00 1.31 H new ATOM 0 HD22 LEU A 83 0.759 -0.266 3.174 1.00 1.31 H new ATOM 0 HD23 LEU A 83 2.439 -0.851 3.170 1.00 1.31 H new ATOM 1323 N ALA A 84 2.207 -2.299 -1.696 1.00 0.34 N ATOM 1324 CA ALA A 84 1.659 -3.393 -2.466 1.00 0.37 C ATOM 1325 C ALA A 84 2.588 -4.605 -2.477 1.00 0.41 C ATOM 1326 O ALA A 84 2.119 -5.740 -2.508 1.00 0.48 O ATOM 1327 CB ALA A 84 1.373 -2.945 -3.883 1.00 0.42 C ATOM 0 H ALA A 84 2.580 -1.531 -2.255 1.00 0.34 H new ATOM 0 HA ALA A 84 0.728 -3.695 -1.987 1.00 0.37 H new ATOM 0 HB1 ALA A 84 0.961 -3.778 -4.452 1.00 0.42 H new ATOM 0 HB2 ALA A 84 0.654 -2.126 -3.867 1.00 0.42 H new ATOM 0 HB3 ALA A 84 2.298 -2.608 -4.352 1.00 0.42 H new ATOM 1333 N LYS A 85 3.909 -4.371 -2.465 1.00 0.42 N ATOM 1334 CA LYS A 85 4.887 -5.472 -2.446 1.00 0.51 C ATOM 1335 C LYS A 85 4.436 -6.556 -1.488 1.00 0.50 C ATOM 1336 O LYS A 85 4.689 -7.742 -1.686 1.00 0.67 O ATOM 1337 CB LYS A 85 6.264 -4.967 -2.014 1.00 0.62 C ATOM 1338 CG LYS A 85 6.860 -3.936 -2.951 1.00 1.18 C ATOM 1339 CD LYS A 85 7.892 -3.082 -2.239 1.00 1.42 C ATOM 1340 CE LYS A 85 9.014 -3.927 -1.652 1.00 1.55 C ATOM 1341 NZ LYS A 85 9.823 -3.169 -0.659 1.00 2.69 N ATOM 0 H LYS A 85 4.323 -3.439 -2.468 1.00 0.42 H new ATOM 0 HA LYS A 85 4.955 -5.878 -3.455 1.00 0.51 H new ATOM 0 HB2 LYS A 85 6.185 -4.535 -1.016 1.00 0.62 H new ATOM 0 HB3 LYS A 85 6.945 -5.815 -1.941 1.00 0.62 H new ATOM 0 HG2 LYS A 85 7.322 -4.437 -3.801 1.00 1.18 H new ATOM 0 HG3 LYS A 85 6.069 -3.300 -3.348 1.00 1.18 H new ATOM 0 HD2 LYS A 85 8.310 -2.357 -2.938 1.00 1.42 H new ATOM 0 HD3 LYS A 85 7.409 -2.515 -1.443 1.00 1.42 H new ATOM 0 HE2 LYS A 85 8.590 -4.811 -1.175 1.00 1.55 H new ATOM 0 HE3 LYS A 85 9.662 -4.278 -2.455 1.00 1.55 H new ATOM 0 HZ1 LYS A 85 10.834 -3.285 -0.874 1.00 2.69 H new ATOM 0 HZ2 LYS A 85 9.573 -2.161 -0.704 1.00 2.69 H new ATOM 0 HZ3 LYS A 85 9.629 -3.531 0.296 1.00 2.69 H new ATOM 1355 N GLU A 86 3.763 -6.116 -0.448 1.00 0.45 N ATOM 1356 CA GLU A 86 3.242 -6.999 0.566 1.00 0.45 C ATOM 1357 C GLU A 86 1.934 -7.600 0.114 1.00 0.44 C ATOM 1358 O GLU A 86 1.695 -8.799 0.254 1.00 0.46 O ATOM 1359 CB GLU A 86 3.027 -6.224 1.855 1.00 0.48 C ATOM 1360 CG GLU A 86 4.115 -5.218 2.122 1.00 0.98 C ATOM 1361 CD GLU A 86 5.444 -5.880 2.379 1.00 2.08 C ATOM 1362 OE1 GLU A 86 5.438 -7.015 2.894 1.00 2.61 O ATOM 1363 OE2 GLU A 86 6.487 -5.272 2.058 1.00 2.91 O ATOM 0 H GLU A 86 3.562 -5.130 -0.283 1.00 0.45 H new ATOM 0 HA GLU A 86 3.959 -7.802 0.737 1.00 0.45 H new ATOM 0 HB2 GLU A 86 2.067 -5.710 1.808 1.00 0.48 H new ATOM 0 HB3 GLU A 86 2.973 -6.924 2.689 1.00 0.48 H new ATOM 0 HG2 GLU A 86 4.204 -4.545 1.269 1.00 0.98 H new ATOM 0 HG3 GLU A 86 3.841 -4.608 2.983 1.00 0.98 H new ATOM 1370 N VAL A 87 1.088 -6.744 -0.436 1.00 0.44 N ATOM 1371 CA VAL A 87 -0.213 -7.165 -0.890 1.00 0.46 C ATOM 1372 C VAL A 87 -0.176 -7.827 -2.267 1.00 0.47 C ATOM 1373 O VAL A 87 -1.215 -8.202 -2.810 1.00 0.54 O ATOM 1374 CB VAL A 87 -1.201 -5.989 -0.916 1.00 0.54 C ATOM 1375 CG1 VAL A 87 -2.621 -6.501 -1.048 1.00 1.00 C ATOM 1376 CG2 VAL A 87 -1.049 -5.141 0.335 1.00 0.81 C ATOM 0 H VAL A 87 1.286 -5.753 -0.576 1.00 0.44 H new ATOM 0 HA VAL A 87 -0.552 -7.910 -0.171 1.00 0.46 H new ATOM 0 HB VAL A 87 -0.979 -5.363 -1.780 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -3.312 -5.658 -1.065 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -2.718 -7.069 -1.973 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -2.856 -7.145 -0.201 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -1.756 -4.312 0.301 1.00 0.81 H new ATOM 0 HG22 VAL A 87 -1.248 -5.752 1.215 1.00 0.81 H new ATOM 0 HG23 VAL A 87 -0.033 -4.749 0.388 1.00 0.81 H new ATOM 1386 N ARG A 88 1.012 -7.976 -2.836 1.00 0.50 N ATOM 1387 CA ARG A 88 1.134 -8.593 -4.151 1.00 0.52 C ATOM 1388 C ARG A 88 1.080 -10.110 -4.054 1.00 0.50 C ATOM 1389 O ARG A 88 0.315 -10.756 -4.771 1.00 0.59 O ATOM 1390 CB ARG A 88 2.422 -8.143 -4.834 1.00 0.56 C ATOM 1391 CG ARG A 88 2.519 -8.594 -6.280 1.00 0.67 C ATOM 1392 CD ARG A 88 3.775 -8.062 -6.952 1.00 1.33 C ATOM 1393 NE ARG A 88 3.810 -6.602 -6.975 1.00 1.83 N ATOM 1394 CZ ARG A 88 4.713 -5.899 -7.650 1.00 2.72 C ATOM 1395 NH1 ARG A 88 5.649 -6.520 -8.355 1.00 3.25 N ATOM 1396 NH2 ARG A 88 4.681 -4.574 -7.623 1.00 3.50 N ATOM 0 H ARG A 88 1.894 -7.683 -2.416 1.00 0.50 H new ATOM 0 HA ARG A 88 0.288 -8.267 -4.756 1.00 0.52 H new ATOM 0 HB2 ARG A 88 2.487 -7.056 -4.794 1.00 0.56 H new ATOM 0 HB3 ARG A 88 3.276 -8.534 -4.280 1.00 0.56 H new ATOM 0 HG2 ARG A 88 2.517 -9.683 -6.322 1.00 0.67 H new ATOM 0 HG3 ARG A 88 1.641 -8.252 -6.828 1.00 0.67 H new ATOM 0 HD2 ARG A 88 4.653 -8.437 -6.426 1.00 1.33 H new ATOM 0 HD3 ARG A 88 3.828 -8.442 -7.972 1.00 1.33 H new ATOM 0 HE ARG A 88 3.103 -6.094 -6.444 1.00 1.83 H new ATOM 0 HH11 ARG A 88 5.677 -7.539 -8.380 1.00 3.25 H new ATOM 0 HH12 ARG A 88 6.341 -5.978 -8.872 1.00 3.25 H new ATOM 0 HH21 ARG A 88 3.962 -4.092 -7.083 1.00 3.50 H new ATOM 0 HH22 ARG A 88 5.375 -4.036 -8.142 1.00 3.50 H new ATOM 1410 N LYS A 89 1.887 -10.676 -3.172 1.00 0.47 N ATOM 1411 CA LYS A 89 1.896 -12.118 -2.989 1.00 0.49 C ATOM 1412 C LYS A 89 0.740 -12.506 -2.097 1.00 0.49 C ATOM 1413 O LYS A 89 0.176 -13.595 -2.213 1.00 0.55 O ATOM 1414 CB LYS A 89 3.219 -12.642 -2.411 1.00 0.56 C ATOM 1415 CG LYS A 89 3.725 -11.958 -1.133 1.00 0.70 C ATOM 1416 CD LYS A 89 4.400 -10.590 -1.355 1.00 1.55 C ATOM 1417 CE LYS A 89 4.938 -10.378 -2.773 1.00 2.44 C ATOM 1418 NZ LYS A 89 5.906 -11.434 -3.184 1.00 3.29 N ATOM 0 H LYS A 89 2.539 -10.165 -2.577 1.00 0.47 H new ATOM 0 HA LYS A 89 1.791 -12.578 -3.971 1.00 0.49 H new ATOM 0 HB2 LYS A 89 3.104 -13.706 -2.206 1.00 0.56 H new ATOM 0 HB3 LYS A 89 3.988 -12.546 -3.177 1.00 0.56 H new ATOM 0 HG2 LYS A 89 2.885 -11.826 -0.451 1.00 0.70 H new ATOM 0 HG3 LYS A 89 4.435 -12.622 -0.639 1.00 0.70 H new ATOM 0 HD2 LYS A 89 3.681 -9.802 -1.130 1.00 1.55 H new ATOM 0 HD3 LYS A 89 5.222 -10.484 -0.647 1.00 1.55 H new ATOM 0 HE2 LYS A 89 4.104 -10.362 -3.475 1.00 2.44 H new ATOM 0 HE3 LYS A 89 5.423 -9.404 -2.831 1.00 2.44 H new ATOM 0 HZ1 LYS A 89 6.829 -10.999 -3.387 1.00 3.29 H new ATOM 0 HZ2 LYS A 89 6.011 -12.127 -2.415 1.00 3.29 H new ATOM 0 HZ3 LYS A 89 5.554 -11.914 -4.037 1.00 3.29 H new ATOM 1432 N GLU A 90 0.392 -11.593 -1.207 1.00 0.47 N ATOM 1433 CA GLU A 90 -0.708 -11.798 -0.301 1.00 0.52 C ATOM 1434 C GLU A 90 -2.008 -12.016 -1.080 1.00 0.55 C ATOM 1435 O GLU A 90 -2.978 -12.540 -0.539 1.00 0.62 O ATOM 1436 CB GLU A 90 -0.813 -10.606 0.651 1.00 0.55 C ATOM 1437 CG GLU A 90 0.167 -10.683 1.806 1.00 0.62 C ATOM 1438 CD GLU A 90 0.064 -9.494 2.739 1.00 1.26 C ATOM 1439 OE1 GLU A 90 0.453 -8.381 2.328 1.00 1.97 O ATOM 1440 OE2 GLU A 90 -0.406 -9.677 3.881 1.00 1.95 O ATOM 0 H GLU A 90 0.865 -10.696 -1.098 1.00 0.47 H new ATOM 0 HA GLU A 90 -0.531 -12.695 0.292 1.00 0.52 H new ATOM 0 HB2 GLU A 90 -0.638 -9.686 0.093 1.00 0.55 H new ATOM 0 HB3 GLU A 90 -1.828 -10.551 1.045 1.00 0.55 H new ATOM 0 HG2 GLU A 90 -0.013 -11.599 2.369 1.00 0.62 H new ATOM 0 HG3 GLU A 90 1.182 -10.745 1.413 1.00 0.62 H new ATOM 1447 N LYS A 91 -2.019 -11.629 -2.364 1.00 0.54 N ATOM 1448 CA LYS A 91 -3.205 -11.812 -3.194 1.00 0.61 C ATOM 1449 C LYS A 91 -3.640 -13.269 -3.168 1.00 0.63 C ATOM 1450 O LYS A 91 -4.812 -13.582 -2.962 1.00 0.70 O ATOM 1451 CB LYS A 91 -2.965 -11.327 -4.630 1.00 0.62 C ATOM 1452 CG LYS A 91 -2.246 -12.310 -5.534 1.00 0.61 C ATOM 1453 CD LYS A 91 -2.271 -11.830 -6.977 1.00 0.67 C ATOM 1454 CE LYS A 91 -1.594 -12.822 -7.910 1.00 0.70 C ATOM 1455 NZ LYS A 91 -1.628 -12.365 -9.327 1.00 1.38 N ATOM 0 H LYS A 91 -1.229 -11.194 -2.840 1.00 0.54 H new ATOM 0 HA LYS A 91 -4.010 -11.203 -2.782 1.00 0.61 H new ATOM 0 HB2 LYS A 91 -3.928 -11.083 -5.079 1.00 0.62 H new ATOM 0 HB3 LYS A 91 -2.387 -10.404 -4.592 1.00 0.62 H new ATOM 0 HG2 LYS A 91 -1.214 -12.429 -5.203 1.00 0.61 H new ATOM 0 HG3 LYS A 91 -2.718 -13.290 -5.463 1.00 0.61 H new ATOM 0 HD2 LYS A 91 -3.303 -11.679 -7.293 1.00 0.67 H new ATOM 0 HD3 LYS A 91 -1.771 -10.864 -7.048 1.00 0.67 H new ATOM 0 HE2 LYS A 91 -0.559 -12.964 -7.599 1.00 0.70 H new ATOM 0 HE3 LYS A 91 -2.087 -13.791 -7.829 1.00 0.70 H new ATOM 0 HZ1 LYS A 91 -1.156 -13.069 -9.930 1.00 1.38 H new ATOM 0 HZ2 LYS A 91 -2.616 -12.254 -9.632 1.00 1.38 H new ATOM 0 HZ3 LYS A 91 -1.135 -11.453 -9.409 1.00 1.38 H new ATOM 1469 N ALA A 92 -2.679 -14.152 -3.384 1.00 0.61 N ATOM 1470 CA ALA A 92 -2.937 -15.592 -3.373 1.00 0.66 C ATOM 1471 C ALA A 92 -2.951 -16.167 -1.959 1.00 0.64 C ATOM 1472 O ALA A 92 -3.516 -17.232 -1.725 1.00 0.70 O ATOM 1473 CB ALA A 92 -1.915 -16.317 -4.236 1.00 0.75 C ATOM 0 H ALA A 92 -1.708 -13.901 -3.570 1.00 0.61 H new ATOM 0 HA ALA A 92 -3.932 -15.748 -3.790 1.00 0.66 H new ATOM 0 HB1 ALA A 92 -2.119 -17.388 -4.219 1.00 0.75 H new ATOM 0 HB2 ALA A 92 -1.980 -15.952 -5.261 1.00 0.75 H new ATOM 0 HB3 ALA A 92 -0.914 -16.132 -3.847 1.00 0.75 H new ATOM 1479 N LEU A 93 -2.313 -15.477 -1.023 1.00 0.62 N ATOM 1480 CA LEU A 93 -2.276 -15.944 0.363 1.00 0.66 C ATOM 1481 C LEU A 93 -3.552 -15.585 1.103 1.00 0.59 C ATOM 1482 O LEU A 93 -3.988 -16.321 1.989 1.00 0.64 O ATOM 1483 CB LEU A 93 -1.082 -15.362 1.108 1.00 0.75 C ATOM 1484 CG LEU A 93 -0.856 -15.997 2.474 1.00 0.82 C ATOM 1485 CD1 LEU A 93 0.159 -17.125 2.380 1.00 1.03 C ATOM 1486 CD2 LEU A 93 -0.411 -14.950 3.485 1.00 0.95 C ATOM 0 H LEU A 93 -1.818 -14.601 -1.192 1.00 0.62 H new ATOM 0 HA LEU A 93 -2.181 -17.029 0.329 1.00 0.66 H new ATOM 0 HB2 LEU A 93 -0.186 -15.492 0.502 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -1.229 -14.289 1.234 1.00 0.75 H new ATOM 0 HG LEU A 93 -1.801 -16.419 2.817 1.00 0.82 H new ATOM 0 HD11 LEU A 93 0.306 -17.565 3.366 1.00 1.03 H new ATOM 0 HD12 LEU A 93 -0.207 -17.888 1.693 1.00 1.03 H new ATOM 0 HD13 LEU A 93 1.107 -16.732 2.013 1.00 1.03 H new ATOM 0 HD21 LEU A 93 -0.255 -15.423 4.454 1.00 0.95 H new ATOM 0 HD22 LEU A 93 0.520 -14.493 3.150 1.00 0.95 H new ATOM 0 HD23 LEU A 93 -1.179 -14.182 3.576 1.00 0.95 H new ATOM 1498 N GLY A 94 -4.152 -14.455 0.748 1.00 0.53 N ATOM 1499 CA GLY A 94 -5.378 -14.031 1.404 1.00 0.52 C ATOM 1500 C GLY A 94 -6.356 -15.154 1.583 1.00 0.52 C ATOM 1501 O GLY A 94 -7.061 -15.217 2.589 1.00 0.57 O ATOM 0 H GLY A 94 -3.814 -13.825 0.020 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -5.136 -13.606 2.378 1.00 0.52 H new ATOM 0 HA3 GLY A 94 -5.844 -13.239 0.818 1.00 0.52 H new ATOM 1505 N ILE A 95 -6.420 -16.027 0.590 1.00 0.54 N ATOM 1506 CA ILE A 95 -7.325 -17.153 0.642 1.00 0.57 C ATOM 1507 C ILE A 95 -6.904 -18.134 1.711 1.00 0.61 C ATOM 1508 O ILE A 95 -6.563 -19.281 1.419 1.00 0.67 O ATOM 1509 CB ILE A 95 -7.410 -17.874 -0.707 1.00 0.63 C ATOM 1510 CG1 ILE A 95 -6.018 -18.084 -1.297 1.00 1.32 C ATOM 1511 CG2 ILE A 95 -8.263 -17.063 -1.645 1.00 1.09 C ATOM 1512 CD1 ILE A 95 -5.976 -19.124 -2.396 1.00 1.68 C ATOM 0 H ILE A 95 -5.855 -15.974 -0.258 1.00 0.54 H new ATOM 0 HA ILE A 95 -8.311 -16.757 0.885 1.00 0.57 H new ATOM 0 HB ILE A 95 -7.861 -18.856 -0.562 1.00 0.63 H new ATOM 0 HG12 ILE A 95 -5.653 -17.136 -1.692 1.00 1.32 H new ATOM 0 HG13 ILE A 95 -5.336 -18.382 -0.500 1.00 1.32 H new ATOM 0 HG21 ILE A 95 -8.328 -17.570 -2.608 1.00 1.09 H new ATOM 0 HG22 ILE A 95 -9.263 -16.953 -1.224 1.00 1.09 H new ATOM 0 HG23 ILE A 95 -7.817 -16.078 -1.783 1.00 1.09 H new ATOM 0 HD11 ILE A 95 -4.956 -19.220 -2.768 1.00 1.68 H new ATOM 0 HD12 ILE A 95 -6.310 -20.084 -2.002 1.00 1.68 H new ATOM 0 HD13 ILE A 95 -6.632 -18.819 -3.211 1.00 1.68 H new ATOM 1524 N ARG A 96 -6.921 -17.679 2.956 1.00 0.64 N ATOM 1525 CA ARG A 96 -6.559 -18.537 4.060 1.00 0.74 C ATOM 1526 C ARG A 96 -7.503 -19.737 4.061 1.00 0.82 C ATOM 1527 O ARG A 96 -7.170 -20.812 4.563 1.00 0.93 O ATOM 1528 CB ARG A 96 -6.585 -17.743 5.376 1.00 0.84 C ATOM 1529 CG ARG A 96 -7.873 -17.861 6.190 1.00 1.65 C ATOM 1530 CD ARG A 96 -7.870 -19.091 7.084 1.00 2.45 C ATOM 1531 NE ARG A 96 -9.085 -19.180 7.893 1.00 2.91 N ATOM 1532 CZ ARG A 96 -9.374 -20.216 8.675 1.00 3.85 C ATOM 1533 NH1 ARG A 96 -8.539 -21.242 8.756 1.00 4.47 N ATOM 1534 NH2 ARG A 96 -10.499 -20.224 9.378 1.00 4.48 N ATOM 0 H ARG A 96 -7.180 -16.728 3.219 1.00 0.64 H new ATOM 0 HA ARG A 96 -5.540 -18.910 3.954 1.00 0.74 H new ATOM 0 HB2 ARG A 96 -5.752 -18.074 5.996 1.00 0.84 H new ATOM 0 HB3 ARG A 96 -6.415 -16.691 5.149 1.00 0.84 H new ATOM 0 HG2 ARG A 96 -7.998 -16.968 6.802 1.00 1.65 H new ATOM 0 HG3 ARG A 96 -8.727 -17.906 5.514 1.00 1.65 H new ATOM 0 HD2 ARG A 96 -7.777 -19.986 6.469 1.00 2.45 H new ATOM 0 HD3 ARG A 96 -6.999 -19.062 7.739 1.00 2.45 H new ATOM 0 HE ARG A 96 -9.747 -18.405 7.855 1.00 2.91 H new ATOM 0 HH11 ARG A 96 -7.673 -21.238 8.218 1.00 4.47 H new ATOM 0 HH12 ARG A 96 -8.763 -22.036 9.357 1.00 4.47 H new ATOM 0 HH21 ARG A 96 -11.143 -19.435 9.319 1.00 4.48 H new ATOM 0 HH22 ARG A 96 -10.720 -21.019 9.978 1.00 4.48 H new ATOM 1548 N LYS A 97 -8.687 -19.530 3.476 1.00 0.83 N ATOM 1549 CA LYS A 97 -9.669 -20.592 3.342 1.00 0.95 C ATOM 1550 C LYS A 97 -9.348 -21.409 2.099 1.00 0.94 C ATOM 1551 O LYS A 97 -9.917 -21.186 1.030 1.00 0.98 O ATOM 1552 CB LYS A 97 -11.106 -20.045 3.245 1.00 1.06 C ATOM 1553 CG LYS A 97 -11.243 -18.592 2.776 1.00 0.99 C ATOM 1554 CD LYS A 97 -11.167 -17.637 3.951 1.00 1.56 C ATOM 1555 CE LYS A 97 -11.690 -16.265 3.577 1.00 1.85 C ATOM 1556 NZ LYS A 97 -11.516 -15.290 4.689 1.00 2.92 N ATOM 0 H LYS A 97 -8.982 -18.633 3.090 1.00 0.83 H new ATOM 0 HA LYS A 97 -9.617 -21.215 4.235 1.00 0.95 H new ATOM 0 HB2 LYS A 97 -11.670 -20.681 2.562 1.00 1.06 H new ATOM 0 HB3 LYS A 97 -11.575 -20.135 4.225 1.00 1.06 H new ATOM 0 HG2 LYS A 97 -10.453 -18.360 2.061 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -12.192 -18.461 2.256 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -11.746 -18.035 4.784 1.00 1.56 H new ATOM 0 HD3 LYS A 97 -10.134 -17.555 4.290 1.00 1.56 H new ATOM 0 HE2 LYS A 97 -11.167 -15.905 2.691 1.00 1.85 H new ATOM 0 HE3 LYS A 97 -12.746 -16.336 3.317 1.00 1.85 H new ATOM 0 HZ1 LYS A 97 -12.448 -14.947 4.999 1.00 2.92 H new ATOM 0 HZ2 LYS A 97 -11.035 -15.754 5.486 1.00 2.92 H new ATOM 0 HZ3 LYS A 97 -10.943 -14.487 4.360 1.00 2.92 H new ATOM 1570 N LYS A 98 -8.426 -22.353 2.247 1.00 0.97 N ATOM 1571 CA LYS A 98 -8.017 -23.200 1.135 1.00 1.06 C ATOM 1572 C LYS A 98 -8.550 -24.619 1.307 1.00 1.22 C ATOM 1573 O LYS A 98 -9.679 -24.887 0.843 1.00 1.61 O ATOM 1574 CB LYS A 98 -6.490 -23.221 1.022 1.00 1.08 C ATOM 1575 CG LYS A 98 -5.857 -21.836 0.945 1.00 1.07 C ATOM 1576 CD LYS A 98 -4.379 -21.922 0.600 1.00 1.51 C ATOM 1577 CE LYS A 98 -3.745 -20.543 0.537 1.00 2.00 C ATOM 1578 NZ LYS A 98 -3.837 -19.829 1.840 1.00 2.74 N ATOM 1579 OXT LYS A 98 -7.832 -25.451 1.900 1.00 1.70 O ATOM 0 H LYS A 98 -7.948 -22.551 3.126 1.00 0.97 H new ATOM 0 HA LYS A 98 -8.436 -22.786 0.218 1.00 1.06 H new ATOM 0 HB2 LYS A 98 -6.079 -23.750 1.882 1.00 1.08 H new ATOM 0 HB3 LYS A 98 -6.209 -23.788 0.135 1.00 1.08 H new ATOM 0 HG2 LYS A 98 -6.374 -21.239 0.194 1.00 1.07 H new ATOM 0 HG3 LYS A 98 -5.981 -21.324 1.899 1.00 1.07 H new ATOM 0 HD2 LYS A 98 -3.864 -22.527 1.346 1.00 1.51 H new ATOM 0 HD3 LYS A 98 -4.256 -22.425 -0.359 1.00 1.51 H new ATOM 0 HE2 LYS A 98 -2.698 -20.638 0.248 1.00 2.00 H new ATOM 0 HE3 LYS A 98 -4.237 -19.952 -0.236 1.00 2.00 H new ATOM 0 HZ1 LYS A 98 -3.199 -19.008 1.832 1.00 2.74 H new ATOM 0 HZ2 LYS A 98 -4.814 -19.506 1.991 1.00 2.74 H new ATOM 0 HZ3 LYS A 98 -3.563 -20.473 2.609 1.00 2.74 H new ATOM 1594 N MET B 1 18.596 -4.242 -3.077 1.00 0.65 N ATOM 1595 CA MET B 1 17.729 -5.447 -3.161 1.00 0.59 C ATOM 1596 C MET B 1 16.481 -5.170 -3.975 1.00 0.59 C ATOM 1597 O MET B 1 16.187 -4.029 -4.328 1.00 0.60 O ATOM 1598 CB MET B 1 17.329 -5.903 -1.761 1.00 0.58 C ATOM 1599 CG MET B 1 18.160 -7.060 -1.188 1.00 0.60 C ATOM 1600 SD MET B 1 19.882 -7.091 -1.756 1.00 0.94 S ATOM 1601 CE MET B 1 20.099 -8.827 -2.144 1.00 1.18 C ATOM 0 H1 MET B 1 19.568 -4.494 -3.348 1.00 0.65 H new ATOM 0 H2 MET B 1 18.236 -3.509 -3.721 1.00 0.65 H new ATOM 0 H3 MET B 1 18.592 -3.878 -2.103 1.00 0.65 H new ATOM 0 HA MET B 1 18.298 -6.234 -3.656 1.00 0.59 H new ATOM 0 HB2 MET B 1 17.405 -5.052 -1.084 1.00 0.58 H new ATOM 0 HB3 MET B 1 16.281 -6.204 -1.780 1.00 0.58 H new ATOM 0 HG2 MET B 1 18.149 -6.996 -0.100 1.00 0.60 H new ATOM 0 HG3 MET B 1 17.683 -8.003 -1.457 1.00 0.60 H new ATOM 0 HE1 MET B 1 20.946 -9.222 -1.583 1.00 1.18 H new ATOM 0 HE2 MET B 1 19.197 -9.376 -1.873 1.00 1.18 H new ATOM 0 HE3 MET B 1 20.286 -8.941 -3.212 1.00 1.18 H new ATOM 1613 N ALA B 2 15.753 -6.233 -4.266 1.00 0.61 N ATOM 1614 CA ALA B 2 14.531 -6.133 -5.040 1.00 0.64 C ATOM 1615 C ALA B 2 13.314 -6.448 -4.194 1.00 0.62 C ATOM 1616 O ALA B 2 13.419 -7.074 -3.140 1.00 0.71 O ATOM 1617 CB ALA B 2 14.579 -7.064 -6.242 1.00 0.72 C ATOM 0 H ALA B 2 15.990 -7.181 -3.975 1.00 0.61 H new ATOM 0 HA ALA B 2 14.449 -5.104 -5.390 1.00 0.64 H new ATOM 0 HB1 ALA B 2 13.653 -6.974 -6.809 1.00 0.72 H new ATOM 0 HB2 ALA B 2 15.422 -6.794 -6.878 1.00 0.72 H new ATOM 0 HB3 ALA B 2 14.697 -8.093 -5.901 1.00 0.72 H new ATOM 1623 N ALA B 3 12.156 -6.008 -4.661 1.00 0.73 N ATOM 1624 CA ALA B 3 10.918 -6.269 -3.959 1.00 0.75 C ATOM 1625 C ALA B 3 10.590 -7.746 -4.056 1.00 0.65 C ATOM 1626 O ALA B 3 9.722 -8.154 -4.828 1.00 0.81 O ATOM 1627 CB ALA B 3 9.789 -5.433 -4.544 1.00 1.04 C ATOM 0 H ALA B 3 12.052 -5.470 -5.521 1.00 0.73 H new ATOM 0 HA ALA B 3 11.033 -5.994 -2.910 1.00 0.75 H new ATOM 0 HB1 ALA B 3 8.865 -5.641 -4.005 1.00 1.04 H new ATOM 0 HB2 ALA B 3 10.033 -4.375 -4.450 1.00 1.04 H new ATOM 0 HB3 ALA B 3 9.659 -5.683 -5.597 1.00 1.04 H new ATOM 1633 N GLU B 4 11.299 -8.549 -3.274 1.00 0.62 N ATOM 1634 CA GLU B 4 11.089 -9.982 -3.285 1.00 0.75 C ATOM 1635 C GLU B 4 9.720 -10.304 -2.671 1.00 0.74 C ATOM 1636 O GLU B 4 8.700 -9.942 -3.258 1.00 0.86 O ATOM 1637 CB GLU B 4 12.258 -10.686 -2.585 1.00 0.97 C ATOM 1638 CG GLU B 4 12.415 -12.140 -2.994 1.00 1.45 C ATOM 1639 CD GLU B 4 11.427 -13.069 -2.324 1.00 2.42 C ATOM 1640 OE1 GLU B 4 11.700 -13.507 -1.189 1.00 3.20 O ATOM 1641 OE2 GLU B 4 10.377 -13.360 -2.936 1.00 3.02 O ATOM 0 H GLU B 4 12.021 -8.230 -2.628 1.00 0.62 H new ATOM 0 HA GLU B 4 11.071 -10.361 -4.307 1.00 0.75 H new ATOM 0 HB2 GLU B 4 13.181 -10.151 -2.808 1.00 0.97 H new ATOM 0 HB3 GLU B 4 12.112 -10.633 -1.506 1.00 0.97 H new ATOM 0 HG2 GLU B 4 12.299 -12.219 -4.075 1.00 1.45 H new ATOM 0 HG3 GLU B 4 13.427 -12.468 -2.757 1.00 1.45 H new ATOM 1648 N THR B 5 9.653 -10.966 -1.514 1.00 0.70 N ATOM 1649 CA THR B 5 8.355 -11.251 -0.922 1.00 0.75 C ATOM 1650 C THR B 5 7.840 -10.063 -0.091 1.00 0.62 C ATOM 1651 O THR B 5 8.155 -8.913 -0.393 1.00 0.79 O ATOM 1652 CB THR B 5 8.378 -12.530 -0.074 1.00 0.92 C ATOM 1653 OG1 THR B 5 9.374 -13.431 -0.560 1.00 1.42 O ATOM 1654 CG2 THR B 5 7.014 -13.195 -0.134 1.00 1.08 C ATOM 0 H THR B 5 10.458 -11.304 -0.986 1.00 0.70 H new ATOM 0 HA THR B 5 7.664 -11.414 -1.749 1.00 0.75 H new ATOM 0 HB THR B 5 8.617 -12.270 0.957 1.00 0.92 H new ATOM 0 HG1 THR B 5 10.256 -13.144 -0.245 1.00 1.42 H new ATOM 0 HG21 THR B 5 7.026 -14.104 0.467 1.00 1.08 H new ATOM 0 HG22 THR B 5 6.259 -12.512 0.255 1.00 1.08 H new ATOM 0 HG23 THR B 5 6.777 -13.447 -1.168 1.00 1.08 H new ATOM 1662 N LEU B 6 7.048 -10.340 0.954 1.00 0.54 N ATOM 1663 CA LEU B 6 6.482 -9.299 1.792 1.00 0.50 C ATOM 1664 C LEU B 6 7.545 -8.594 2.626 1.00 0.49 C ATOM 1665 O LEU B 6 8.063 -9.152 3.586 1.00 0.56 O ATOM 1666 CB LEU B 6 5.445 -9.908 2.736 1.00 0.60 C ATOM 1667 CG LEU B 6 4.161 -10.416 2.087 1.00 0.75 C ATOM 1668 CD1 LEU B 6 4.239 -11.916 1.858 1.00 1.15 C ATOM 1669 CD2 LEU B 6 2.966 -10.069 2.961 1.00 1.07 C ATOM 0 H LEU B 6 6.789 -11.287 1.232 1.00 0.54 H new ATOM 0 HA LEU B 6 6.022 -8.564 1.131 1.00 0.50 H new ATOM 0 HB2 LEU B 6 5.911 -10.737 3.268 1.00 0.60 H new ATOM 0 HB3 LEU B 6 5.179 -9.159 3.482 1.00 0.60 H new ATOM 0 HG LEU B 6 4.039 -9.930 1.119 1.00 0.75 H new ATOM 0 HD11 LEU B 6 3.315 -12.262 1.394 1.00 1.15 H new ATOM 0 HD12 LEU B 6 5.080 -12.141 1.202 1.00 1.15 H new ATOM 0 HD13 LEU B 6 4.378 -12.423 2.813 1.00 1.15 H new ATOM 0 HD21 LEU B 6 2.053 -10.435 2.491 1.00 1.07 H new ATOM 0 HD22 LEU B 6 3.083 -10.536 3.939 1.00 1.07 H new ATOM 0 HD23 LEU B 6 2.904 -8.987 3.080 1.00 1.07 H new ATOM 1681 N THR B 7 7.862 -7.362 2.269 1.00 0.50 N ATOM 1682 CA THR B 7 8.837 -6.599 3.029 1.00 0.53 C ATOM 1683 C THR B 7 8.212 -6.126 4.326 1.00 0.48 C ATOM 1684 O THR B 7 7.014 -6.272 4.530 1.00 0.55 O ATOM 1685 CB THR B 7 9.361 -5.381 2.242 1.00 0.60 C ATOM 1686 OG1 THR B 7 8.868 -5.415 0.899 1.00 0.83 O ATOM 1687 CG2 THR B 7 10.883 -5.348 2.222 1.00 0.80 C ATOM 0 H THR B 7 7.464 -6.873 1.467 1.00 0.50 H new ATOM 0 HA THR B 7 9.683 -7.255 3.231 1.00 0.53 H new ATOM 0 HB THR B 7 9.003 -4.482 2.743 1.00 0.60 H new ATOM 0 HG1 THR B 7 7.928 -5.139 0.889 1.00 0.83 H new ATOM 0 HG21 THR B 7 11.221 -4.478 1.660 1.00 0.80 H new ATOM 0 HG22 THR B 7 11.259 -5.288 3.243 1.00 0.80 H new ATOM 0 HG23 THR B 7 11.260 -6.255 1.749 1.00 0.80 H new ATOM 1695 N GLU B 8 9.018 -5.541 5.197 1.00 0.46 N ATOM 1696 CA GLU B 8 8.531 -5.053 6.490 1.00 0.45 C ATOM 1697 C GLU B 8 7.168 -4.370 6.357 1.00 0.41 C ATOM 1698 O GLU B 8 6.369 -4.359 7.292 1.00 0.42 O ATOM 1699 CB GLU B 8 9.529 -4.069 7.102 1.00 0.50 C ATOM 1700 CG GLU B 8 10.986 -4.479 6.939 1.00 0.52 C ATOM 1701 CD GLU B 8 11.254 -5.887 7.435 1.00 1.09 C ATOM 1702 OE1 GLU B 8 11.491 -6.054 8.649 1.00 1.94 O ATOM 1703 OE2 GLU B 8 11.229 -6.821 6.606 1.00 1.67 O ATOM 0 H GLU B 8 10.014 -5.389 5.038 1.00 0.46 H new ATOM 0 HA GLU B 8 8.423 -5.920 7.142 1.00 0.45 H new ATOM 0 HB2 GLU B 8 9.385 -3.090 6.644 1.00 0.50 H new ATOM 0 HB3 GLU B 8 9.310 -3.960 8.164 1.00 0.50 H new ATOM 0 HG2 GLU B 8 11.264 -4.409 5.887 1.00 0.52 H new ATOM 0 HG3 GLU B 8 11.620 -3.779 7.483 1.00 0.52 H new ATOM 1710 N LEU B 9 6.922 -3.803 5.183 1.00 0.41 N ATOM 1711 CA LEU B 9 5.671 -3.114 4.898 1.00 0.40 C ATOM 1712 C LEU B 9 4.443 -3.997 5.117 1.00 0.38 C ATOM 1713 O LEU B 9 3.358 -3.485 5.391 1.00 0.40 O ATOM 1714 CB LEU B 9 5.699 -2.612 3.457 1.00 0.46 C ATOM 1715 CG LEU B 9 6.979 -1.879 3.049 1.00 0.58 C ATOM 1716 CD1 LEU B 9 6.776 -1.144 1.735 1.00 0.93 C ATOM 1717 CD2 LEU B 9 7.433 -0.925 4.146 1.00 0.93 C ATOM 0 H LEU B 9 7.581 -3.808 4.405 1.00 0.41 H new ATOM 0 HA LEU B 9 5.586 -2.281 5.596 1.00 0.40 H new ATOM 0 HB2 LEU B 9 5.557 -3.462 2.790 1.00 0.46 H new ATOM 0 HB3 LEU B 9 4.852 -1.943 3.305 1.00 0.46 H new ATOM 0 HG LEU B 9 7.767 -2.619 2.906 1.00 0.58 H new ATOM 0 HD11 LEU B 9 7.696 -0.629 1.460 1.00 0.93 H new ATOM 0 HD12 LEU B 9 6.514 -1.859 0.955 1.00 0.93 H new ATOM 0 HD13 LEU B 9 5.972 -0.417 1.845 1.00 0.93 H new ATOM 0 HD21 LEU B 9 8.344 -0.416 3.832 1.00 0.93 H new ATOM 0 HD22 LEU B 9 6.652 -0.188 4.333 1.00 0.93 H new ATOM 0 HD23 LEU B 9 7.628 -1.487 5.059 1.00 0.93 H new ATOM 1729 N GLU B 10 4.597 -5.320 5.001 1.00 0.38 N ATOM 1730 CA GLU B 10 3.457 -6.224 5.201 1.00 0.39 C ATOM 1731 C GLU B 10 2.856 -5.956 6.569 1.00 0.38 C ATOM 1732 O GLU B 10 1.655 -6.112 6.779 1.00 0.40 O ATOM 1733 CB GLU B 10 3.881 -7.688 5.085 1.00 0.45 C ATOM 1734 CG GLU B 10 5.272 -7.960 5.624 1.00 0.45 C ATOM 1735 CD GLU B 10 5.329 -9.185 6.515 1.00 0.55 C ATOM 1736 OE1 GLU B 10 5.510 -10.299 5.980 1.00 1.16 O ATOM 1737 OE2 GLU B 10 5.190 -9.030 7.746 1.00 1.26 O ATOM 0 H GLU B 10 5.478 -5.782 4.775 1.00 0.38 H new ATOM 0 HA GLU B 10 2.716 -6.037 4.424 1.00 0.39 H new ATOM 0 HB2 GLU B 10 3.164 -8.309 5.622 1.00 0.45 H new ATOM 0 HB3 GLU B 10 3.841 -7.988 4.038 1.00 0.45 H new ATOM 0 HG2 GLU B 10 5.961 -8.091 4.789 1.00 0.45 H new ATOM 0 HG3 GLU B 10 5.615 -7.091 6.186 1.00 0.45 H new ATOM 1744 N ALA B 11 3.713 -5.552 7.502 1.00 0.39 N ATOM 1745 CA ALA B 11 3.262 -5.212 8.839 1.00 0.39 C ATOM 1746 C ALA B 11 2.249 -4.089 8.733 1.00 0.36 C ATOM 1747 O ALA B 11 1.302 -4.001 9.516 1.00 0.39 O ATOM 1748 CB ALA B 11 4.435 -4.793 9.714 1.00 0.42 C ATOM 0 H ALA B 11 4.717 -5.454 7.354 1.00 0.39 H new ATOM 0 HA ALA B 11 2.801 -6.084 9.303 1.00 0.39 H new ATOM 0 HB1 ALA B 11 4.074 -4.543 10.711 1.00 0.42 H new ATOM 0 HB2 ALA B 11 5.149 -5.613 9.782 1.00 0.42 H new ATOM 0 HB3 ALA B 11 4.923 -3.922 9.276 1.00 0.42 H new ATOM 1754 N ALA B 12 2.466 -3.228 7.740 1.00 0.33 N ATOM 1755 CA ALA B 12 1.571 -2.113 7.483 1.00 0.32 C ATOM 1756 C ALA B 12 0.258 -2.620 6.911 1.00 0.33 C ATOM 1757 O ALA B 12 -0.808 -2.075 7.202 1.00 0.34 O ATOM 1758 CB ALA B 12 2.220 -1.114 6.537 1.00 0.34 C ATOM 0 H ALA B 12 3.259 -3.286 7.101 1.00 0.33 H new ATOM 0 HA ALA B 12 1.366 -1.603 8.425 1.00 0.32 H new ATOM 0 HB1 ALA B 12 1.535 -0.286 6.356 1.00 0.34 H new ATOM 0 HB2 ALA B 12 3.139 -0.734 6.984 1.00 0.34 H new ATOM 0 HB3 ALA B 12 2.452 -1.605 5.592 1.00 0.34 H new ATOM 1764 N ILE B 13 0.339 -3.668 6.092 1.00 0.36 N ATOM 1765 CA ILE B 13 -0.856 -4.258 5.510 1.00 0.40 C ATOM 1766 C ILE B 13 -1.842 -4.624 6.628 1.00 0.39 C ATOM 1767 O ILE B 13 -3.045 -4.744 6.396 1.00 0.42 O ATOM 1768 CB ILE B 13 -0.520 -5.502 4.633 1.00 0.47 C ATOM 1769 CG1 ILE B 13 0.003 -5.049 3.265 1.00 0.90 C ATOM 1770 CG2 ILE B 13 -1.731 -6.415 4.442 1.00 0.99 C ATOM 1771 CD1 ILE B 13 1.115 -4.025 3.348 1.00 2.05 C ATOM 0 H ILE B 13 1.213 -4.119 5.821 1.00 0.36 H new ATOM 0 HA ILE B 13 -1.316 -3.523 4.850 1.00 0.40 H new ATOM 0 HB ILE B 13 0.247 -6.073 5.156 1.00 0.47 H new ATOM 0 HG12 ILE B 13 0.363 -5.920 2.717 1.00 0.90 H new ATOM 0 HG13 ILE B 13 -0.823 -4.630 2.691 1.00 0.90 H new ATOM 0 HG21 ILE B 13 -1.450 -7.268 3.825 1.00 0.99 H new ATOM 0 HG22 ILE B 13 -2.077 -6.768 5.413 1.00 0.99 H new ATOM 0 HG23 ILE B 13 -2.531 -5.860 3.952 1.00 0.99 H new ATOM 0 HD11 ILE B 13 1.434 -3.752 2.342 1.00 2.05 H new ATOM 0 HD12 ILE B 13 0.754 -3.137 3.868 1.00 2.05 H new ATOM 0 HD13 ILE B 13 1.958 -4.447 3.894 1.00 2.05 H new ATOM 1783 N GLU B 14 -1.314 -4.795 7.843 1.00 0.39 N ATOM 1784 CA GLU B 14 -2.131 -5.135 9.001 1.00 0.42 C ATOM 1785 C GLU B 14 -3.016 -3.963 9.421 1.00 0.38 C ATOM 1786 O GLU B 14 -4.142 -4.165 9.874 1.00 0.46 O ATOM 1787 CB GLU B 14 -1.241 -5.562 10.169 1.00 0.46 C ATOM 1788 CG GLU B 14 -0.374 -6.773 9.863 1.00 0.79 C ATOM 1789 CD GLU B 14 0.484 -7.188 11.041 1.00 1.46 C ATOM 1790 OE1 GLU B 14 1.521 -6.533 11.280 1.00 2.25 O ATOM 1791 OE2 GLU B 14 0.120 -8.167 11.726 1.00 2.02 O ATOM 0 H GLU B 14 -0.319 -4.702 8.046 1.00 0.39 H new ATOM 0 HA GLU B 14 -2.779 -5.965 8.720 1.00 0.42 H new ATOM 0 HB2 GLU B 14 -0.599 -4.727 10.449 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -1.869 -5.784 11.031 1.00 0.46 H new ATOM 0 HG2 GLU B 14 -1.012 -7.607 9.571 1.00 0.79 H new ATOM 0 HG3 GLU B 14 0.268 -6.549 9.011 1.00 0.79 H new ATOM 1798 N THR B 15 -2.513 -2.734 9.275 1.00 0.30 N ATOM 1799 CA THR B 15 -3.279 -1.567 9.641 1.00 0.28 C ATOM 1800 C THR B 15 -4.404 -1.351 8.644 1.00 0.28 C ATOM 1801 O THR B 15 -5.580 -1.394 8.988 1.00 0.34 O ATOM 1802 CB THR B 15 -2.401 -0.308 9.686 1.00 0.28 C ATOM 1803 OG1 THR B 15 -1.341 -0.476 10.634 1.00 0.29 O ATOM 1804 CG2 THR B 15 -3.225 0.919 10.052 1.00 0.32 C ATOM 0 H THR B 15 -1.583 -2.535 8.907 1.00 0.30 H new ATOM 0 HA THR B 15 -3.688 -1.740 10.636 1.00 0.28 H new ATOM 0 HB THR B 15 -1.977 -0.159 8.693 1.00 0.28 H new ATOM 0 HG1 THR B 15 -0.564 0.051 10.353 1.00 0.29 H new ATOM 0 HG21 THR B 15 -2.579 1.797 10.077 1.00 0.32 H new ATOM 0 HG22 THR B 15 -4.009 1.066 9.309 1.00 0.32 H new ATOM 0 HG23 THR B 15 -3.678 0.774 11.033 1.00 0.32 H new ATOM 1812 N VAL B 16 -4.011 -1.131 7.399 1.00 0.27 N ATOM 1813 CA VAL B 16 -4.945 -0.913 6.299 1.00 0.28 C ATOM 1814 C VAL B 16 -6.097 -1.907 6.346 1.00 0.30 C ATOM 1815 O VAL B 16 -7.259 -1.525 6.217 1.00 0.36 O ATOM 1816 CB VAL B 16 -4.195 -1.042 4.959 1.00 0.30 C ATOM 1817 CG1 VAL B 16 -3.482 -2.381 4.881 1.00 0.33 C ATOM 1818 CG2 VAL B 16 -5.131 -0.873 3.775 1.00 0.33 C ATOM 0 H VAL B 16 -3.031 -1.098 7.119 1.00 0.27 H new ATOM 0 HA VAL B 16 -5.363 0.089 6.395 1.00 0.28 H new ATOM 0 HB VAL B 16 -3.456 -0.242 4.914 1.00 0.30 H new ATOM 0 HG11 VAL B 16 -2.956 -2.458 3.929 1.00 0.33 H new ATOM 0 HG12 VAL B 16 -2.766 -2.460 5.699 1.00 0.33 H new ATOM 0 HG13 VAL B 16 -4.212 -3.187 4.959 1.00 0.33 H new ATOM 0 HG21 VAL B 16 -4.566 -0.970 2.848 1.00 0.33 H new ATOM 0 HG22 VAL B 16 -5.905 -1.640 3.811 1.00 0.33 H new ATOM 0 HG23 VAL B 16 -5.595 0.113 3.816 1.00 0.33 H new ATOM 1828 N VAL B 17 -5.775 -3.177 6.529 1.00 0.31 N ATOM 1829 CA VAL B 17 -6.800 -4.199 6.611 1.00 0.33 C ATOM 1830 C VAL B 17 -7.659 -3.960 7.849 1.00 0.30 C ATOM 1831 O VAL B 17 -8.864 -4.206 7.855 1.00 0.33 O ATOM 1832 CB VAL B 17 -6.198 -5.614 6.676 1.00 0.43 C ATOM 1833 CG1 VAL B 17 -5.375 -5.791 7.940 1.00 0.45 C ATOM 1834 CG2 VAL B 17 -7.295 -6.665 6.593 1.00 0.50 C ATOM 0 H VAL B 17 -4.819 -3.521 6.623 1.00 0.31 H new ATOM 0 HA VAL B 17 -7.406 -4.134 5.708 1.00 0.33 H new ATOM 0 HB VAL B 17 -5.535 -5.744 5.821 1.00 0.43 H new ATOM 0 HG11 VAL B 17 -4.959 -6.798 7.965 1.00 0.45 H new ATOM 0 HG12 VAL B 17 -4.564 -5.063 7.951 1.00 0.45 H new ATOM 0 HG13 VAL B 17 -6.011 -5.639 8.812 1.00 0.45 H new ATOM 0 HG21 VAL B 17 -6.851 -7.659 6.640 1.00 0.50 H new ATOM 0 HG22 VAL B 17 -7.986 -6.536 7.426 1.00 0.50 H new ATOM 0 HG23 VAL B 17 -7.835 -6.554 5.653 1.00 0.50 H new ATOM 1844 N SER B 18 -7.002 -3.481 8.904 1.00 0.33 N ATOM 1845 CA SER B 18 -7.658 -3.188 10.175 1.00 0.40 C ATOM 1846 C SER B 18 -8.322 -1.806 10.184 1.00 0.44 C ATOM 1847 O SER B 18 -9.005 -1.454 11.142 1.00 0.59 O ATOM 1848 CB SER B 18 -6.644 -3.277 11.316 1.00 0.51 C ATOM 1849 OG SER B 18 -6.068 -4.570 11.389 1.00 1.32 O ATOM 0 H SER B 18 -6.001 -3.286 8.901 1.00 0.33 H new ATOM 0 HA SER B 18 -8.444 -3.931 10.312 1.00 0.40 H new ATOM 0 HB2 SER B 18 -5.860 -2.534 11.168 1.00 0.51 H new ATOM 0 HB3 SER B 18 -7.134 -3.040 12.261 1.00 0.51 H new ATOM 0 HG SER B 18 -5.134 -4.529 11.095 1.00 1.32 H new ATOM 1855 N THR B 19 -8.044 -0.989 9.171 1.00 0.37 N ATOM 1856 CA THR B 19 -8.639 0.345 9.091 1.00 0.45 C ATOM 1857 C THR B 19 -10.007 0.361 8.397 1.00 0.46 C ATOM 1858 O THR B 19 -11.032 0.087 9.022 1.00 0.53 O ATOM 1859 CB THR B 19 -7.692 1.367 8.421 1.00 0.45 C ATOM 1860 OG1 THR B 19 -7.302 0.919 7.113 1.00 0.42 O ATOM 1861 CG2 THR B 19 -6.458 1.601 9.275 1.00 0.49 C ATOM 0 H THR B 19 -7.417 -1.223 8.401 1.00 0.37 H new ATOM 0 HA THR B 19 -8.798 0.645 10.127 1.00 0.45 H new ATOM 0 HB THR B 19 -8.234 2.308 8.323 1.00 0.45 H new ATOM 0 HG1 THR B 19 -7.620 0.003 6.973 1.00 0.42 H new ATOM 0 HG21 THR B 19 -5.807 2.324 8.783 1.00 0.49 H new ATOM 0 HG22 THR B 19 -6.758 1.987 10.249 1.00 0.49 H new ATOM 0 HG23 THR B 19 -5.923 0.661 9.406 1.00 0.49 H new ATOM 1869 N PHE B 20 -10.012 0.685 7.099 1.00 0.45 N ATOM 1870 CA PHE B 20 -11.256 0.777 6.326 1.00 0.53 C ATOM 1871 C PHE B 20 -11.704 -0.589 5.881 1.00 0.53 C ATOM 1872 O PHE B 20 -12.891 -0.853 5.725 1.00 0.68 O ATOM 1873 CB PHE B 20 -11.066 1.772 5.162 1.00 0.60 C ATOM 1874 CG PHE B 20 -11.388 1.282 3.766 1.00 0.72 C ATOM 1875 CD1 PHE B 20 -12.648 0.804 3.436 1.00 1.59 C ATOM 1876 CD2 PHE B 20 -10.419 1.330 2.777 1.00 1.26 C ATOM 1877 CE1 PHE B 20 -12.924 0.382 2.144 1.00 1.77 C ATOM 1878 CE2 PHE B 20 -10.694 0.913 1.491 1.00 1.37 C ATOM 1879 CZ PHE B 20 -11.947 0.439 1.174 1.00 1.18 C ATOM 0 H PHE B 20 -9.169 0.888 6.562 1.00 0.45 H new ATOM 0 HA PHE B 20 -12.060 1.166 6.951 1.00 0.53 H new ATOM 0 HB2 PHE B 20 -11.684 2.647 5.363 1.00 0.60 H new ATOM 0 HB3 PHE B 20 -10.029 2.106 5.171 1.00 0.60 H new ATOM 0 HD1 PHE B 20 -13.419 0.760 4.191 1.00 1.59 H new ATOM 0 HD2 PHE B 20 -9.433 1.700 3.017 1.00 1.26 H new ATOM 0 HE1 PHE B 20 -13.907 0.008 1.898 1.00 1.77 H new ATOM 0 HE2 PHE B 20 -9.926 0.958 0.733 1.00 1.37 H new ATOM 0 HZ PHE B 20 -12.164 0.113 0.168 1.00 1.18 H new ATOM 1889 N PHE B 21 -10.745 -1.444 5.674 1.00 0.44 N ATOM 1890 CA PHE B 21 -11.020 -2.792 5.291 1.00 0.47 C ATOM 1891 C PHE B 21 -11.885 -3.465 6.362 1.00 0.49 C ATOM 1892 O PHE B 21 -12.541 -4.467 6.120 1.00 0.63 O ATOM 1893 CB PHE B 21 -9.683 -3.508 5.065 1.00 0.47 C ATOM 1894 CG PHE B 21 -8.939 -3.077 3.829 1.00 0.45 C ATOM 1895 CD1 PHE B 21 -9.297 -1.929 3.139 1.00 1.15 C ATOM 1896 CD2 PHE B 21 -7.849 -3.807 3.378 1.00 1.39 C ATOM 1897 CE1 PHE B 21 -8.587 -1.529 2.025 1.00 1.13 C ATOM 1898 CE2 PHE B 21 -7.137 -3.406 2.270 1.00 1.44 C ATOM 1899 CZ PHE B 21 -7.506 -2.265 1.592 1.00 0.53 C ATOM 0 H PHE B 21 -9.753 -1.224 5.767 1.00 0.44 H new ATOM 0 HA PHE B 21 -11.587 -2.835 4.361 1.00 0.47 H new ATOM 0 HB2 PHE B 21 -9.046 -3.340 5.933 1.00 0.47 H new ATOM 0 HB3 PHE B 21 -9.866 -4.581 5.006 1.00 0.47 H new ATOM 0 HD1 PHE B 21 -10.139 -1.343 3.476 1.00 1.15 H new ATOM 0 HD2 PHE B 21 -7.555 -4.703 3.904 1.00 1.39 H new ATOM 0 HE1 PHE B 21 -8.880 -0.637 1.491 1.00 1.13 H new ATOM 0 HE2 PHE B 21 -6.290 -3.985 1.933 1.00 1.44 H new ATOM 0 HZ PHE B 21 -6.949 -1.948 0.723 1.00 0.53 H new ATOM 1909 N THR B 22 -11.910 -2.901 7.555 1.00 0.48 N ATOM 1910 CA THR B 22 -12.745 -3.462 8.604 1.00 0.54 C ATOM 1911 C THR B 22 -14.197 -3.534 8.140 1.00 0.48 C ATOM 1912 O THR B 22 -14.992 -4.318 8.657 1.00 0.53 O ATOM 1913 CB THR B 22 -12.654 -2.634 9.889 1.00 0.65 C ATOM 1914 OG1 THR B 22 -13.161 -1.315 9.672 1.00 0.66 O ATOM 1915 CG2 THR B 22 -11.218 -2.557 10.340 1.00 0.81 C ATOM 0 H THR B 22 -11.376 -2.074 7.820 1.00 0.48 H new ATOM 0 HA THR B 22 -12.382 -4.467 8.817 1.00 0.54 H new ATOM 0 HB THR B 22 -13.255 -3.117 10.660 1.00 0.65 H new ATOM 0 HG1 THR B 22 -12.516 -0.799 9.144 1.00 0.66 H new ATOM 0 HG21 THR B 22 -11.155 -1.967 11.255 1.00 0.81 H new ATOM 0 HG22 THR B 22 -10.842 -3.562 10.530 1.00 0.81 H new ATOM 0 HG23 THR B 22 -10.617 -2.086 9.562 1.00 0.81 H new ATOM 1923 N PHE B 23 -14.526 -2.702 7.154 1.00 0.49 N ATOM 1924 CA PHE B 23 -15.868 -2.653 6.600 1.00 0.51 C ATOM 1925 C PHE B 23 -16.210 -3.968 5.906 1.00 0.44 C ATOM 1926 O PHE B 23 -17.374 -4.330 5.785 1.00 0.46 O ATOM 1927 CB PHE B 23 -15.984 -1.414 5.690 1.00 0.68 C ATOM 1928 CG PHE B 23 -16.436 -1.617 4.270 1.00 0.61 C ATOM 1929 CD1 PHE B 23 -17.601 -2.298 3.955 1.00 1.46 C ATOM 1930 CD2 PHE B 23 -15.708 -1.051 3.249 1.00 1.48 C ATOM 1931 CE1 PHE B 23 -18.020 -2.406 2.652 1.00 1.93 C ATOM 1932 CE2 PHE B 23 -16.118 -1.168 1.946 1.00 1.88 C ATOM 1933 CZ PHE B 23 -17.277 -1.842 1.648 1.00 1.83 C ATOM 0 H PHE B 23 -13.872 -2.049 6.722 1.00 0.49 H new ATOM 0 HA PHE B 23 -16.611 -2.544 7.390 1.00 0.51 H new ATOM 0 HB2 PHE B 23 -16.675 -0.716 6.163 1.00 0.68 H new ATOM 0 HB3 PHE B 23 -15.009 -0.928 5.663 1.00 0.68 H new ATOM 0 HD1 PHE B 23 -18.186 -2.749 4.743 1.00 1.46 H new ATOM 0 HD2 PHE B 23 -14.803 -0.508 3.477 1.00 1.48 H new ATOM 0 HE1 PHE B 23 -18.933 -2.934 2.419 1.00 1.93 H new ATOM 0 HE2 PHE B 23 -15.529 -0.730 1.154 1.00 1.88 H new ATOM 0 HZ PHE B 23 -17.603 -1.928 0.622 1.00 1.83 H new ATOM 1943 N ALA B 24 -15.186 -4.705 5.486 1.00 0.51 N ATOM 1944 CA ALA B 24 -15.409 -6.007 4.840 1.00 0.59 C ATOM 1945 C ALA B 24 -16.419 -6.822 5.620 1.00 0.61 C ATOM 1946 O ALA B 24 -17.258 -7.516 5.047 1.00 0.67 O ATOM 1947 CB ALA B 24 -14.109 -6.791 4.739 1.00 0.71 C ATOM 0 H ALA B 24 -14.207 -4.434 5.576 1.00 0.51 H new ATOM 0 HA ALA B 24 -15.792 -5.817 3.837 1.00 0.59 H new ATOM 0 HB1 ALA B 24 -14.299 -7.750 4.258 1.00 0.71 H new ATOM 0 HB2 ALA B 24 -13.388 -6.226 4.149 1.00 0.71 H new ATOM 0 HB3 ALA B 24 -13.707 -6.960 5.738 1.00 0.71 H new ATOM 1953 N GLY B 25 -16.325 -6.729 6.936 1.00 0.71 N ATOM 1954 CA GLY B 25 -17.244 -7.453 7.789 1.00 0.85 C ATOM 1955 C GLY B 25 -18.681 -7.229 7.367 1.00 0.74 C ATOM 1956 O GLY B 25 -19.555 -8.046 7.655 1.00 0.82 O ATOM 0 H GLY B 25 -15.631 -6.167 7.429 1.00 0.71 H new ATOM 0 HA2 GLY B 25 -17.014 -8.518 7.753 1.00 0.85 H new ATOM 0 HA3 GLY B 25 -17.112 -7.133 8.823 1.00 0.85 H new ATOM 1960 N ARG B 26 -18.927 -6.101 6.678 1.00 0.61 N ATOM 1961 CA ARG B 26 -20.256 -5.777 6.148 1.00 0.59 C ATOM 1962 C ARG B 26 -20.859 -7.040 5.557 1.00 0.58 C ATOM 1963 O ARG B 26 -21.905 -7.522 5.990 1.00 0.72 O ATOM 1964 CB ARG B 26 -20.127 -4.695 5.066 1.00 0.61 C ATOM 1965 CG ARG B 26 -21.375 -4.500 4.215 1.00 1.18 C ATOM 1966 CD ARG B 26 -22.402 -3.634 4.921 1.00 0.96 C ATOM 1967 NE ARG B 26 -22.904 -4.260 6.142 1.00 1.55 N ATOM 1968 CZ ARG B 26 -23.640 -3.623 7.047 1.00 1.95 C ATOM 1969 NH1 ARG B 26 -23.958 -2.348 6.868 1.00 2.01 N ATOM 1970 NH2 ARG B 26 -24.061 -4.262 8.130 1.00 2.82 N ATOM 0 H ARG B 26 -18.216 -5.398 6.476 1.00 0.61 H new ATOM 0 HA ARG B 26 -20.900 -5.400 6.943 1.00 0.59 H new ATOM 0 HB2 ARG B 26 -19.878 -3.748 5.545 1.00 0.61 H new ATOM 0 HB3 ARG B 26 -19.293 -4.951 4.412 1.00 0.61 H new ATOM 0 HG2 ARG B 26 -21.101 -4.040 3.266 1.00 1.18 H new ATOM 0 HG3 ARG B 26 -21.814 -5.471 3.984 1.00 1.18 H new ATOM 0 HD2 ARG B 26 -21.956 -2.670 5.166 1.00 0.96 H new ATOM 0 HD3 ARG B 26 -23.235 -3.438 4.246 1.00 0.96 H new ATOM 0 HE ARG B 26 -22.677 -5.240 6.309 1.00 1.55 H new ATOM 0 HH11 ARG B 26 -23.638 -1.855 6.035 1.00 2.01 H new ATOM 0 HH12 ARG B 26 -24.523 -1.861 7.564 1.00 2.01 H new ATOM 0 HH21 ARG B 26 -23.820 -5.243 8.269 1.00 2.82 H new ATOM 0 HH22 ARG B 26 -24.626 -3.772 8.824 1.00 2.82 H new ATOM 1984 N GLU B 27 -20.167 -7.557 4.556 1.00 0.50 N ATOM 1985 CA GLU B 27 -20.549 -8.808 3.927 1.00 0.57 C ATOM 1986 C GLU B 27 -19.291 -9.530 3.465 1.00 0.80 C ATOM 1987 O GLU B 27 -18.860 -9.391 2.321 1.00 1.26 O ATOM 1988 CB GLU B 27 -21.490 -8.555 2.748 1.00 0.97 C ATOM 1989 CG GLU B 27 -20.953 -7.546 1.745 1.00 0.85 C ATOM 1990 CD GLU B 27 -21.989 -7.144 0.714 1.00 1.10 C ATOM 1991 OE1 GLU B 27 -22.151 -7.878 -0.283 1.00 1.63 O ATOM 1992 OE2 GLU B 27 -22.640 -6.094 0.905 1.00 1.79 O ATOM 0 H GLU B 27 -19.332 -7.125 4.160 1.00 0.50 H new ATOM 0 HA GLU B 27 -21.082 -9.429 4.647 1.00 0.57 H new ATOM 0 HB2 GLU B 27 -21.679 -9.498 2.236 1.00 0.97 H new ATOM 0 HB3 GLU B 27 -22.448 -8.202 3.128 1.00 0.97 H new ATOM 0 HG2 GLU B 27 -20.610 -6.658 2.276 1.00 0.85 H new ATOM 0 HG3 GLU B 27 -20.086 -7.969 1.238 1.00 0.85 H new ATOM 1999 N GLY B 28 -18.700 -10.297 4.377 1.00 1.32 N ATOM 2000 CA GLY B 28 -17.490 -11.023 4.057 1.00 1.87 C ATOM 2001 C GLY B 28 -17.281 -12.247 4.915 1.00 1.35 C ATOM 2002 O GLY B 28 -16.227 -12.390 5.536 1.00 1.58 O ATOM 0 H GLY B 28 -19.039 -10.427 5.330 1.00 1.32 H new ATOM 0 HA2 GLY B 28 -17.522 -11.324 3.010 1.00 1.87 H new ATOM 0 HA3 GLY B 28 -16.635 -10.357 4.172 1.00 1.87 H new ATOM 2006 N ARG B 29 -18.265 -13.139 4.968 1.00 1.15 N ATOM 2007 CA ARG B 29 -18.128 -14.353 5.771 1.00 1.06 C ATOM 2008 C ARG B 29 -16.774 -15.005 5.505 1.00 1.14 C ATOM 2009 O ARG B 29 -15.936 -15.126 6.400 1.00 1.74 O ATOM 2010 CB ARG B 29 -19.265 -15.335 5.460 1.00 1.38 C ATOM 2011 CG ARG B 29 -19.046 -16.732 6.024 1.00 1.76 C ATOM 2012 CD ARG B 29 -18.614 -16.684 7.482 1.00 2.36 C ATOM 2013 NE ARG B 29 -19.552 -15.927 8.308 1.00 2.88 N ATOM 2014 CZ ARG B 29 -19.318 -15.595 9.574 1.00 3.58 C ATOM 2015 NH1 ARG B 29 -18.177 -15.945 10.153 1.00 3.91 N ATOM 2016 NH2 ARG B 29 -20.223 -14.911 10.261 1.00 4.30 N ATOM 0 H ARG B 29 -19.153 -13.049 4.474 1.00 1.15 H new ATOM 0 HA ARG B 29 -18.188 -14.083 6.825 1.00 1.06 H new ATOM 0 HB2 ARG B 29 -20.197 -14.935 5.859 1.00 1.38 H new ATOM 0 HB3 ARG B 29 -19.386 -15.405 4.379 1.00 1.38 H new ATOM 0 HG2 ARG B 29 -19.966 -17.310 5.935 1.00 1.76 H new ATOM 0 HG3 ARG B 29 -18.287 -17.248 5.436 1.00 1.76 H new ATOM 0 HD2 ARG B 29 -18.529 -17.700 7.868 1.00 2.36 H new ATOM 0 HD3 ARG B 29 -17.624 -16.233 7.552 1.00 2.36 H new ATOM 0 HE ARG B 29 -20.436 -15.637 7.890 1.00 2.88 H new ATOM 0 HH11 ARG B 29 -17.478 -16.469 9.627 1.00 3.91 H new ATOM 0 HH12 ARG B 29 -17.999 -15.690 11.124 1.00 3.91 H new ATOM 0 HH21 ARG B 29 -21.101 -14.639 9.818 1.00 4.30 H new ATOM 0 HH22 ARG B 29 -20.041 -14.657 11.232 1.00 4.30 H new ATOM 2030 N LYS B 30 -16.581 -15.420 4.264 1.00 1.05 N ATOM 2031 CA LYS B 30 -15.333 -16.029 3.839 1.00 1.49 C ATOM 2032 C LYS B 30 -14.993 -15.560 2.431 1.00 1.34 C ATOM 2033 O LYS B 30 -14.584 -16.354 1.583 1.00 1.66 O ATOM 2034 CB LYS B 30 -15.437 -17.554 3.877 1.00 2.04 C ATOM 2035 CG LYS B 30 -15.582 -18.124 5.279 1.00 2.66 C ATOM 2036 CD LYS B 30 -14.332 -17.888 6.110 1.00 3.51 C ATOM 2037 CE LYS B 30 -14.468 -18.485 7.501 1.00 4.01 C ATOM 2038 NZ LYS B 30 -14.722 -19.951 7.451 1.00 4.78 N ATOM 0 H LYS B 30 -17.282 -15.345 3.527 1.00 1.05 H new ATOM 0 HA LYS B 30 -14.540 -15.725 4.523 1.00 1.49 H new ATOM 0 HB2 LYS B 30 -16.293 -17.866 3.278 1.00 2.04 H new ATOM 0 HB3 LYS B 30 -14.549 -17.981 3.411 1.00 2.04 H new ATOM 0 HG2 LYS B 30 -16.439 -17.666 5.772 1.00 2.66 H new ATOM 0 HG3 LYS B 30 -15.783 -19.194 5.219 1.00 2.66 H new ATOM 0 HD2 LYS B 30 -13.471 -18.327 5.607 1.00 3.51 H new ATOM 0 HD3 LYS B 30 -14.143 -16.817 6.189 1.00 3.51 H new ATOM 0 HE2 LYS B 30 -13.558 -18.293 8.070 1.00 4.01 H new ATOM 0 HE3 LYS B 30 -15.284 -17.993 8.030 1.00 4.01 H new ATOM 0 HZ1 LYS B 30 -14.558 -20.364 8.391 1.00 4.78 H new ATOM 0 HZ2 LYS B 30 -15.707 -20.123 7.164 1.00 4.78 H new ATOM 0 HZ3 LYS B 30 -14.079 -20.391 6.762 1.00 4.78 H new ATOM 2052 N GLY B 31 -15.156 -14.261 2.187 1.00 0.96 N ATOM 2053 CA GLY B 31 -14.890 -13.722 0.869 1.00 0.88 C ATOM 2054 C GLY B 31 -14.212 -12.396 0.909 1.00 0.81 C ATOM 2055 O GLY B 31 -13.043 -12.334 1.236 1.00 0.85 O ATOM 0 H GLY B 31 -15.466 -13.577 2.877 1.00 0.96 H new ATOM 0 HA2 GLY B 31 -14.269 -14.425 0.313 1.00 0.88 H new ATOM 0 HA3 GLY B 31 -15.830 -13.627 0.325 1.00 0.88 H new ATOM 2059 N SER B 32 -14.934 -11.335 0.571 1.00 0.74 N ATOM 2060 CA SER B 32 -14.326 -10.017 0.519 1.00 0.71 C ATOM 2061 C SER B 32 -15.219 -8.872 0.972 1.00 0.70 C ATOM 2062 O SER B 32 -16.361 -9.057 1.392 1.00 0.75 O ATOM 2063 CB SER B 32 -13.834 -9.762 -0.896 1.00 0.69 C ATOM 2064 OG SER B 32 -14.840 -10.045 -1.852 1.00 1.09 O ATOM 0 H SER B 32 -15.925 -11.362 0.333 1.00 0.74 H new ATOM 0 HA SER B 32 -13.506 -10.033 1.237 1.00 0.71 H new ATOM 0 HB2 SER B 32 -13.521 -8.722 -0.992 1.00 0.69 H new ATOM 0 HB3 SER B 32 -12.957 -10.379 -1.095 1.00 0.69 H new ATOM 0 HG SER B 32 -14.681 -9.515 -2.661 1.00 1.09 H new ATOM 2070 N LEU B 33 -14.641 -7.676 0.865 1.00 0.72 N ATOM 2071 CA LEU B 33 -15.317 -6.429 1.194 1.00 0.74 C ATOM 2072 C LEU B 33 -15.964 -5.935 -0.079 1.00 0.57 C ATOM 2073 O LEU B 33 -15.495 -6.262 -1.170 1.00 0.53 O ATOM 2074 CB LEU B 33 -14.317 -5.374 1.717 1.00 1.00 C ATOM 2075 CG LEU B 33 -14.493 -3.920 1.197 1.00 1.19 C ATOM 2076 CD1 LEU B 33 -13.797 -2.908 2.107 1.00 1.93 C ATOM 2077 CD2 LEU B 33 -13.966 -3.786 -0.224 1.00 1.69 C ATOM 0 H LEU B 33 -13.681 -7.548 0.544 1.00 0.72 H new ATOM 0 HA LEU B 33 -16.053 -6.594 1.980 1.00 0.74 H new ATOM 0 HB2 LEU B 33 -14.382 -5.355 2.805 1.00 1.00 H new ATOM 0 HB3 LEU B 33 -13.310 -5.706 1.463 1.00 1.00 H new ATOM 0 HG LEU B 33 -15.561 -3.703 1.202 1.00 1.19 H new ATOM 0 HD11 LEU B 33 -13.942 -1.903 1.711 1.00 1.93 H new ATOM 0 HD12 LEU B 33 -14.221 -2.968 3.109 1.00 1.93 H new ATOM 0 HD13 LEU B 33 -12.731 -3.131 2.150 1.00 1.93 H new ATOM 0 HD21 LEU B 33 -14.100 -2.760 -0.566 1.00 1.69 H new ATOM 0 HD22 LEU B 33 -12.906 -4.040 -0.244 1.00 1.69 H new ATOM 0 HD23 LEU B 33 -14.514 -4.462 -0.880 1.00 1.69 H new ATOM 2089 N ASN B 34 -17.028 -5.158 0.025 1.00 0.57 N ATOM 2090 CA ASN B 34 -17.695 -4.729 -1.168 1.00 0.47 C ATOM 2091 C ASN B 34 -17.673 -3.213 -1.296 1.00 0.41 C ATOM 2092 O ASN B 34 -16.633 -2.584 -1.117 1.00 0.56 O ATOM 2093 CB ASN B 34 -19.111 -5.324 -1.138 1.00 0.56 C ATOM 2094 CG ASN B 34 -19.669 -5.596 -2.518 1.00 1.38 C ATOM 2095 OD1 ASN B 34 -18.928 -5.927 -3.445 1.00 2.13 O ATOM 2096 ND2 ASN B 34 -20.981 -5.463 -2.664 1.00 2.12 N ATOM 0 H ASN B 34 -17.431 -4.825 0.901 1.00 0.57 H new ATOM 0 HA ASN B 34 -17.182 -5.088 -2.060 1.00 0.47 H new ATOM 0 HB2 ASN B 34 -19.096 -6.253 -0.569 1.00 0.56 H new ATOM 0 HB3 ASN B 34 -19.776 -4.639 -0.612 1.00 0.56 H new ATOM 0 HD21 ASN B 34 -21.413 -5.637 -3.571 1.00 2.12 H new ATOM 0 HD22 ASN B 34 -21.557 -5.187 -1.869 1.00 2.12 H new ATOM 2103 N ILE B 35 -18.793 -2.634 -1.654 1.00 0.53 N ATOM 2104 CA ILE B 35 -18.891 -1.182 -1.796 1.00 0.54 C ATOM 2105 C ILE B 35 -20.091 -0.614 -1.058 1.00 0.56 C ATOM 2106 O ILE B 35 -20.648 0.412 -1.449 1.00 0.63 O ATOM 2107 CB ILE B 35 -18.936 -0.716 -3.264 1.00 0.60 C ATOM 2108 CG1 ILE B 35 -19.552 -1.789 -4.168 1.00 0.70 C ATOM 2109 CG2 ILE B 35 -17.537 -0.341 -3.731 1.00 0.66 C ATOM 2110 CD1 ILE B 35 -18.671 -2.998 -4.358 1.00 1.04 C ATOM 0 H ILE B 35 -19.657 -3.138 -1.855 1.00 0.53 H new ATOM 0 HA ILE B 35 -17.976 -0.797 -1.346 1.00 0.54 H new ATOM 0 HB ILE B 35 -19.573 0.166 -3.329 1.00 0.60 H new ATOM 0 HG12 ILE B 35 -20.504 -2.107 -3.743 1.00 0.70 H new ATOM 0 HG13 ILE B 35 -19.768 -1.351 -5.142 1.00 0.70 H new ATOM 0 HG21 ILE B 35 -17.576 -0.012 -4.770 1.00 0.66 H new ATOM 0 HG22 ILE B 35 -17.150 0.466 -3.109 1.00 0.66 H new ATOM 0 HG23 ILE B 35 -16.881 -1.208 -3.649 1.00 0.66 H new ATOM 0 HD11 ILE B 35 -19.172 -3.715 -5.009 1.00 1.04 H new ATOM 0 HD12 ILE B 35 -17.728 -2.693 -4.812 1.00 1.04 H new ATOM 0 HD13 ILE B 35 -18.475 -3.461 -3.391 1.00 1.04 H new ATOM 2122 N ASN B 36 -20.478 -1.279 0.017 1.00 0.59 N ATOM 2123 CA ASN B 36 -21.590 -0.821 0.827 1.00 0.63 C ATOM 2124 C ASN B 36 -21.088 0.271 1.742 1.00 0.59 C ATOM 2125 O ASN B 36 -21.473 1.431 1.611 1.00 0.59 O ATOM 2126 CB ASN B 36 -22.192 -1.971 1.637 1.00 0.70 C ATOM 2127 CG ASN B 36 -23.349 -1.519 2.507 1.00 1.34 C ATOM 2128 OD1 ASN B 36 -23.160 -1.133 3.660 1.00 2.16 O ATOM 2129 ND2 ASN B 36 -24.557 -1.566 1.956 1.00 1.90 N ATOM 0 H ASN B 36 -20.038 -2.138 0.348 1.00 0.59 H new ATOM 0 HA ASN B 36 -22.380 -0.436 0.182 1.00 0.63 H new ATOM 0 HB2 ASN B 36 -22.535 -2.751 0.957 1.00 0.70 H new ATOM 0 HB3 ASN B 36 -21.419 -2.413 2.265 1.00 0.70 H new ATOM 0 HD21 ASN B 36 -25.374 -1.275 2.493 1.00 1.90 H new ATOM 0 HD22 ASN B 36 -24.667 -1.893 0.996 1.00 1.90 H new ATOM 2136 N GLU B 37 -20.228 -0.102 2.679 1.00 0.58 N ATOM 2137 CA GLU B 37 -19.654 0.888 3.566 1.00 0.56 C ATOM 2138 C GLU B 37 -18.552 1.658 2.860 1.00 0.50 C ATOM 2139 O GLU B 37 -18.158 2.722 3.319 1.00 0.53 O ATOM 2140 CB GLU B 37 -19.127 0.264 4.845 1.00 0.68 C ATOM 2141 CG GLU B 37 -19.949 -0.916 5.320 1.00 0.76 C ATOM 2142 CD GLU B 37 -19.539 -1.390 6.702 1.00 0.77 C ATOM 2143 OE1 GLU B 37 -20.077 -0.857 7.694 1.00 1.41 O ATOM 2144 OE2 GLU B 37 -18.677 -2.289 6.793 1.00 1.28 O ATOM 0 H GLU B 37 -19.920 -1.061 2.840 1.00 0.58 H new ATOM 0 HA GLU B 37 -20.450 1.580 3.842 1.00 0.56 H new ATOM 0 HB2 GLU B 37 -18.098 -0.059 4.686 1.00 0.68 H new ATOM 0 HB3 GLU B 37 -19.105 1.022 5.628 1.00 0.68 H new ATOM 0 HG2 GLU B 37 -21.003 -0.639 5.332 1.00 0.76 H new ATOM 0 HG3 GLU B 37 -19.843 -1.737 4.611 1.00 0.76 H new ATOM 2151 N PHE B 38 -18.043 1.133 1.734 1.00 0.47 N ATOM 2152 CA PHE B 38 -17.023 1.847 0.983 1.00 0.43 C ATOM 2153 C PHE B 38 -17.535 3.249 0.722 1.00 0.45 C ATOM 2154 O PHE B 38 -16.780 4.208 0.661 1.00 0.46 O ATOM 2155 CB PHE B 38 -16.733 1.148 -0.347 1.00 0.43 C ATOM 2156 CG PHE B 38 -15.505 1.658 -1.039 1.00 0.41 C ATOM 2157 CD1 PHE B 38 -15.487 2.921 -1.601 1.00 1.30 C ATOM 2158 CD2 PHE B 38 -14.374 0.869 -1.130 1.00 1.21 C ATOM 2159 CE1 PHE B 38 -14.358 3.392 -2.245 1.00 1.32 C ATOM 2160 CE2 PHE B 38 -13.240 1.331 -1.771 1.00 1.21 C ATOM 2161 CZ PHE B 38 -13.232 2.595 -2.330 1.00 0.46 C ATOM 0 H PHE B 38 -18.320 0.235 1.338 1.00 0.47 H new ATOM 0 HA PHE B 38 -16.096 1.872 1.556 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -16.621 0.078 -0.169 1.00 0.43 H new ATOM 0 HB3 PHE B 38 -17.591 1.273 -1.008 1.00 0.43 H new ATOM 0 HD1 PHE B 38 -16.365 3.547 -1.536 1.00 1.30 H new ATOM 0 HD2 PHE B 38 -14.376 -0.120 -0.695 1.00 1.21 H new ATOM 0 HE1 PHE B 38 -14.356 4.380 -2.681 1.00 1.32 H new ATOM 0 HE2 PHE B 38 -12.362 0.706 -1.835 1.00 1.21 H new ATOM 0 HZ PHE B 38 -12.348 2.959 -2.832 1.00 0.46 H new ATOM 2171 N LYS B 39 -18.855 3.344 0.614 1.00 0.49 N ATOM 2172 CA LYS B 39 -19.522 4.608 0.390 1.00 0.53 C ATOM 2173 C LYS B 39 -19.204 5.599 1.506 1.00 0.54 C ATOM 2174 O LYS B 39 -19.479 6.791 1.392 1.00 0.58 O ATOM 2175 CB LYS B 39 -21.010 4.365 0.263 1.00 0.62 C ATOM 2176 CG LYS B 39 -21.331 3.483 -0.919 1.00 0.68 C ATOM 2177 CD LYS B 39 -22.705 2.857 -0.789 1.00 0.70 C ATOM 2178 CE LYS B 39 -23.249 2.419 -2.138 1.00 1.49 C ATOM 2179 NZ LYS B 39 -24.598 1.801 -2.020 1.00 1.82 N ATOM 0 H LYS B 39 -19.486 2.545 0.680 1.00 0.49 H new ATOM 0 HA LYS B 39 -19.159 5.053 -0.537 1.00 0.53 H new ATOM 0 HB2 LYS B 39 -21.382 3.900 1.176 1.00 0.62 H new ATOM 0 HB3 LYS B 39 -21.527 5.319 0.157 1.00 0.62 H new ATOM 0 HG2 LYS B 39 -21.283 4.070 -1.836 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -20.579 2.698 -1.003 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -22.652 1.998 -0.121 1.00 0.70 H new ATOM 0 HD3 LYS B 39 -23.390 3.573 -0.335 1.00 0.70 H new ATOM 0 HE2 LYS B 39 -23.301 3.280 -2.805 1.00 1.49 H new ATOM 0 HE3 LYS B 39 -22.561 1.705 -2.592 1.00 1.49 H new ATOM 0 HZ1 LYS B 39 -24.933 1.516 -2.962 1.00 1.82 H new ATOM 0 HZ2 LYS B 39 -24.544 0.965 -1.404 1.00 1.82 H new ATOM 0 HZ3 LYS B 39 -25.261 2.490 -1.611 1.00 1.82 H new ATOM 2193 N GLU B 40 -18.683 5.081 2.611 1.00 0.53 N ATOM 2194 CA GLU B 40 -18.264 5.905 3.721 1.00 0.57 C ATOM 2195 C GLU B 40 -16.841 6.433 3.454 1.00 0.55 C ATOM 2196 O GLU B 40 -16.307 7.215 4.240 1.00 0.61 O ATOM 2197 CB GLU B 40 -18.336 5.110 5.046 1.00 0.61 C ATOM 2198 CG GLU B 40 -17.045 4.403 5.455 1.00 1.09 C ATOM 2199 CD GLU B 40 -17.092 3.892 6.882 1.00 1.91 C ATOM 2200 OE1 GLU B 40 -17.609 2.775 7.097 1.00 2.42 O ATOM 2201 OE2 GLU B 40 -16.612 4.609 7.785 1.00 2.62 O ATOM 0 H GLU B 40 -18.542 4.081 2.756 1.00 0.53 H new ATOM 0 HA GLU B 40 -18.938 6.756 3.819 1.00 0.57 H new ATOM 0 HB2 GLU B 40 -18.625 5.793 5.845 1.00 0.61 H new ATOM 0 HB3 GLU B 40 -19.127 4.365 4.961 1.00 0.61 H new ATOM 0 HG2 GLU B 40 -16.862 3.568 4.779 1.00 1.09 H new ATOM 0 HG3 GLU B 40 -16.207 5.091 5.346 1.00 1.09 H new ATOM 2208 N LEU B 41 -16.234 5.997 2.333 1.00 0.50 N ATOM 2209 CA LEU B 41 -14.887 6.402 1.983 1.00 0.50 C ATOM 2210 C LEU B 41 -14.900 7.776 1.341 1.00 0.55 C ATOM 2211 O LEU B 41 -14.830 8.779 2.039 1.00 0.63 O ATOM 2212 CB LEU B 41 -14.235 5.387 1.036 1.00 0.46 C ATOM 2213 CG LEU B 41 -14.116 3.948 1.540 1.00 0.44 C ATOM 2214 CD1 LEU B 41 -12.909 3.271 0.918 1.00 0.55 C ATOM 2215 CD2 LEU B 41 -14.048 3.881 3.063 1.00 0.66 C ATOM 0 H LEU B 41 -16.669 5.363 1.662 1.00 0.50 H new ATOM 0 HA LEU B 41 -14.299 6.442 2.900 1.00 0.50 H new ATOM 0 HB2 LEU B 41 -14.805 5.375 0.107 1.00 0.46 H new ATOM 0 HB3 LEU B 41 -13.235 5.745 0.792 1.00 0.46 H new ATOM 0 HG LEU B 41 -15.017 3.415 1.235 1.00 0.44 H new ATOM 0 HD11 LEU B 41 -12.836 2.247 1.286 1.00 0.55 H new ATOM 0 HD12 LEU B 41 -13.017 3.260 -0.167 1.00 0.55 H new ATOM 0 HD13 LEU B 41 -12.006 3.818 1.188 1.00 0.55 H new ATOM 0 HD21 LEU B 41 -13.964 2.841 3.378 1.00 0.66 H new ATOM 0 HD22 LEU B 41 -13.179 4.438 3.413 1.00 0.66 H new ATOM 0 HD23 LEU B 41 -14.953 4.317 3.487 1.00 0.66 H new ATOM 2227 N ALA B 42 -15.049 7.827 0.011 1.00 0.55 N ATOM 2228 CA ALA B 42 -15.034 9.100 -0.704 1.00 0.62 C ATOM 2229 C ALA B 42 -15.883 10.124 0.021 1.00 0.68 C ATOM 2230 O ALA B 42 -15.587 11.313 0.007 1.00 0.76 O ATOM 2231 CB ALA B 42 -15.481 8.944 -2.137 1.00 0.65 C ATOM 0 H ALA B 42 -15.180 7.008 -0.583 1.00 0.55 H new ATOM 0 HA ALA B 42 -14.004 9.456 -0.726 1.00 0.62 H new ATOM 0 HB1 ALA B 42 -15.456 9.914 -2.634 1.00 0.65 H new ATOM 0 HB2 ALA B 42 -14.813 8.254 -2.653 1.00 0.65 H new ATOM 0 HB3 ALA B 42 -16.497 8.551 -2.160 1.00 0.65 H new ATOM 2237 N THR B 43 -16.914 9.636 0.698 1.00 0.65 N ATOM 2238 CA THR B 43 -17.800 10.500 1.444 1.00 0.73 C ATOM 2239 C THR B 43 -17.006 11.326 2.455 1.00 0.78 C ATOM 2240 O THR B 43 -17.072 12.552 2.467 1.00 0.85 O ATOM 2241 CB THR B 43 -18.885 9.702 2.177 1.00 0.73 C ATOM 2242 OG1 THR B 43 -18.333 8.486 2.686 1.00 0.66 O ATOM 2243 CG2 THR B 43 -20.048 9.396 1.245 1.00 0.76 C ATOM 0 H THR B 43 -17.152 8.645 0.742 1.00 0.65 H new ATOM 0 HA THR B 43 -18.288 11.163 0.729 1.00 0.73 H new ATOM 0 HB THR B 43 -19.257 10.303 3.007 1.00 0.73 H new ATOM 0 HG1 THR B 43 -18.377 7.792 1.995 1.00 0.66 H new ATOM 0 HG21 THR B 43 -20.807 8.829 1.784 1.00 0.76 H new ATOM 0 HG22 THR B 43 -20.480 10.329 0.884 1.00 0.76 H new ATOM 0 HG23 THR B 43 -19.691 8.810 0.398 1.00 0.76 H new ATOM 2251 N GLN B 44 -16.284 10.626 3.324 1.00 0.76 N ATOM 2252 CA GLN B 44 -15.438 11.260 4.333 1.00 0.84 C ATOM 2253 C GLN B 44 -14.107 11.657 3.726 1.00 0.83 C ATOM 2254 O GLN B 44 -13.521 12.671 4.102 1.00 0.92 O ATOM 2255 CB GLN B 44 -15.221 10.301 5.506 1.00 0.87 C ATOM 2256 CG GLN B 44 -14.186 10.786 6.508 1.00 1.54 C ATOM 2257 CD GLN B 44 -14.000 9.827 7.668 1.00 2.04 C ATOM 2258 OE1 GLN B 44 -13.164 8.924 7.615 1.00 2.53 O ATOM 2259 NE2 GLN B 44 -14.780 10.020 8.725 1.00 2.74 N ATOM 0 H GLN B 44 -16.268 9.606 3.350 1.00 0.76 H new ATOM 0 HA GLN B 44 -15.934 12.159 4.698 1.00 0.84 H new ATOM 0 HB2 GLN B 44 -16.170 10.150 6.021 1.00 0.87 H new ATOM 0 HB3 GLN B 44 -14.911 9.331 5.118 1.00 0.87 H new ATOM 0 HG2 GLN B 44 -13.232 10.925 6.000 1.00 1.54 H new ATOM 0 HG3 GLN B 44 -14.487 11.761 6.892 1.00 1.54 H new ATOM 0 HE21 GLN B 44 -15.459 10.781 8.726 1.00 2.74 H new ATOM 0 HE22 GLN B 44 -14.700 9.407 9.537 1.00 2.74 H new ATOM 2268 N GLN B 45 -13.627 10.856 2.780 1.00 0.79 N ATOM 2269 CA GLN B 45 -12.387 11.156 2.118 1.00 0.82 C ATOM 2270 C GLN B 45 -12.534 12.507 1.444 1.00 0.78 C ATOM 2271 O GLN B 45 -11.561 13.246 1.291 1.00 0.79 O ATOM 2272 CB GLN B 45 -12.083 10.118 1.060 1.00 0.93 C ATOM 2273 CG GLN B 45 -11.872 8.705 1.571 1.00 0.95 C ATOM 2274 CD GLN B 45 -11.689 7.732 0.425 1.00 1.37 C ATOM 2275 OE1 GLN B 45 -12.620 7.455 -0.325 1.00 2.35 O ATOM 2276 NE2 GLN B 45 -10.488 7.214 0.274 1.00 1.45 N ATOM 0 H GLN B 45 -14.084 10.001 2.464 1.00 0.79 H new ATOM 0 HA GLN B 45 -11.577 11.160 2.847 1.00 0.82 H new ATOM 0 HB2 GLN B 45 -12.902 10.107 0.341 1.00 0.93 H new ATOM 0 HB3 GLN B 45 -11.189 10.427 0.519 1.00 0.93 H new ATOM 0 HG2 GLN B 45 -10.996 8.677 2.220 1.00 0.95 H new ATOM 0 HG3 GLN B 45 -12.727 8.402 2.176 1.00 0.95 H new ATOM 0 HE21 GLN B 45 -9.738 7.468 0.917 1.00 1.45 H new ATOM 0 HE22 GLN B 45 -10.307 6.559 -0.486 1.00 1.45 H new ATOM 2285 N LEU B 46 -13.786 12.822 1.031 1.00 0.78 N ATOM 2286 CA LEU B 46 -14.085 14.096 0.382 1.00 0.78 C ATOM 2287 C LEU B 46 -13.334 15.206 1.096 1.00 0.74 C ATOM 2288 O LEU B 46 -12.238 15.548 0.660 1.00 0.75 O ATOM 2289 CB LEU B 46 -15.592 14.401 0.322 1.00 0.83 C ATOM 2290 CG LEU B 46 -16.318 14.014 -0.974 1.00 1.04 C ATOM 2291 CD1 LEU B 46 -17.730 14.579 -0.973 1.00 1.25 C ATOM 2292 CD2 LEU B 46 -15.548 14.503 -2.190 1.00 1.30 C ATOM 0 H LEU B 46 -14.592 12.207 1.141 1.00 0.78 H new ATOM 0 HA LEU B 46 -13.753 14.029 -0.654 1.00 0.78 H new ATOM 0 HB2 LEU B 46 -16.077 13.887 1.152 1.00 0.83 H new ATOM 0 HB3 LEU B 46 -15.731 15.470 0.485 1.00 0.83 H new ATOM 0 HG LEU B 46 -16.377 12.927 -1.026 1.00 1.04 H new ATOM 0 HD11 LEU B 46 -18.235 14.298 -1.897 1.00 1.25 H new ATOM 0 HD12 LEU B 46 -18.281 14.179 -0.122 1.00 1.25 H new ATOM 0 HD13 LEU B 46 -17.687 15.666 -0.899 1.00 1.25 H new ATOM 0 HD21 LEU B 46 -16.081 14.218 -3.097 1.00 1.30 H new ATOM 0 HD22 LEU B 46 -15.455 15.588 -2.150 1.00 1.30 H new ATOM 0 HD23 LEU B 46 -14.555 14.054 -2.196 1.00 1.30 H new ATOM 2304 N PRO B 47 -13.826 15.769 2.223 1.00 0.78 N ATOM 2305 CA PRO B 47 -13.040 16.804 2.844 1.00 0.80 C ATOM 2306 C PRO B 47 -11.878 16.212 3.594 1.00 0.77 C ATOM 2307 O PRO B 47 -11.960 15.861 4.772 1.00 0.82 O ATOM 2308 CB PRO B 47 -14.018 17.443 3.826 1.00 0.91 C ATOM 2309 CG PRO B 47 -15.029 16.383 4.126 1.00 0.95 C ATOM 2310 CD PRO B 47 -15.085 15.482 2.923 1.00 0.90 C ATOM 0 HA PRO B 47 -12.620 17.506 2.124 1.00 0.80 H new ATOM 0 HB2 PRO B 47 -13.508 17.768 4.733 1.00 0.91 H new ATOM 0 HB3 PRO B 47 -14.490 18.325 3.393 1.00 0.91 H new ATOM 0 HG2 PRO B 47 -14.747 15.821 5.017 1.00 0.95 H new ATOM 0 HG3 PRO B 47 -16.006 16.825 4.323 1.00 0.95 H new ATOM 0 HD2 PRO B 47 -15.155 14.433 3.210 1.00 0.90 H new ATOM 0 HD3 PRO B 47 -15.951 15.700 2.298 1.00 0.90 H new ATOM 2318 N HIS B 48 -10.802 16.105 2.859 1.00 0.73 N ATOM 2319 CA HIS B 48 -9.540 15.642 3.352 1.00 0.75 C ATOM 2320 C HIS B 48 -8.584 16.788 3.606 1.00 0.83 C ATOM 2321 O HIS B 48 -8.982 17.948 3.691 1.00 0.91 O ATOM 2322 CB HIS B 48 -8.966 14.640 2.377 1.00 0.73 C ATOM 2323 CG HIS B 48 -8.697 13.337 3.065 1.00 0.98 C ATOM 2324 ND1 HIS B 48 -9.700 12.551 3.589 1.00 1.86 N ATOM 2325 CD2 HIS B 48 -7.534 12.727 3.393 1.00 1.34 C ATOM 2326 CE1 HIS B 48 -9.166 11.518 4.212 1.00 2.02 C ATOM 2327 NE2 HIS B 48 -7.853 11.600 4.110 1.00 1.59 N ATOM 0 H HIS B 48 -10.784 16.347 1.868 1.00 0.73 H new ATOM 0 HA HIS B 48 -9.692 15.153 4.314 1.00 0.75 H new ATOM 0 HB2 HIS B 48 -9.662 14.486 1.552 1.00 0.73 H new ATOM 0 HB3 HIS B 48 -8.043 15.029 1.947 1.00 0.73 H new ATOM 0 HD2 HIS B 48 -6.540 13.064 3.138 1.00 1.34 H new ATOM 0 HE1 HIS B 48 -9.712 10.737 4.720 1.00 2.02 H new ATOM 0 HE2 HIS B 48 -7.185 10.935 4.500 1.00 1.59 H new ATOM 2336 N LEU B 49 -7.309 16.439 3.723 1.00 0.89 N ATOM 2337 CA LEU B 49 -6.264 17.431 3.847 1.00 1.00 C ATOM 2338 C LEU B 49 -5.934 17.900 2.433 1.00 0.98 C ATOM 2339 O LEU B 49 -6.373 18.963 1.995 1.00 1.02 O ATOM 2340 CB LEU B 49 -5.026 16.849 4.537 1.00 1.10 C ATOM 2341 CG LEU B 49 -3.799 17.764 4.544 1.00 1.62 C ATOM 2342 CD1 LEU B 49 -4.090 19.039 5.321 1.00 2.02 C ATOM 2343 CD2 LEU B 49 -2.597 17.041 5.133 1.00 2.44 C ATOM 0 H LEU B 49 -6.980 15.474 3.734 1.00 0.89 H new ATOM 0 HA LEU B 49 -6.596 18.265 4.465 1.00 1.00 H new ATOM 0 HB2 LEU B 49 -5.284 16.605 5.567 1.00 1.10 H new ATOM 0 HB3 LEU B 49 -4.760 15.914 4.045 1.00 1.10 H new ATOM 0 HG LEU B 49 -3.565 18.035 3.514 1.00 1.62 H new ATOM 0 HD11 LEU B 49 -3.207 19.678 5.316 1.00 2.02 H new ATOM 0 HD12 LEU B 49 -4.922 19.567 4.856 1.00 2.02 H new ATOM 0 HD13 LEU B 49 -4.350 18.787 6.349 1.00 2.02 H new ATOM 0 HD21 LEU B 49 -1.734 17.707 5.130 1.00 2.44 H new ATOM 0 HD22 LEU B 49 -2.819 16.740 6.157 1.00 2.44 H new ATOM 0 HD23 LEU B 49 -2.375 16.157 4.535 1.00 2.44 H new ATOM 2355 N LEU B 50 -5.148 17.085 1.724 1.00 0.98 N ATOM 2356 CA LEU B 50 -4.790 17.351 0.330 1.00 1.01 C ATOM 2357 C LEU B 50 -5.857 16.772 -0.615 1.00 0.92 C ATOM 2358 O LEU B 50 -5.532 16.256 -1.684 1.00 1.01 O ATOM 2359 CB LEU B 50 -3.417 16.749 0.012 1.00 1.11 C ATOM 2360 CG LEU B 50 -2.845 17.114 -1.360 1.00 1.60 C ATOM 2361 CD1 LEU B 50 -2.874 18.621 -1.570 1.00 1.97 C ATOM 2362 CD2 LEU B 50 -1.424 16.586 -1.499 1.00 2.24 C ATOM 0 H LEU B 50 -4.744 16.227 2.099 1.00 0.98 H new ATOM 0 HA LEU B 50 -4.742 18.430 0.182 1.00 1.01 H new ATOM 0 HB2 LEU B 50 -2.712 17.070 0.779 1.00 1.11 H new ATOM 0 HB3 LEU B 50 -3.490 15.664 0.080 1.00 1.11 H new ATOM 0 HG LEU B 50 -3.466 16.649 -2.126 1.00 1.60 H new ATOM 0 HD11 LEU B 50 -2.463 18.860 -2.551 1.00 1.97 H new ATOM 0 HD12 LEU B 50 -3.903 18.977 -1.511 1.00 1.97 H new ATOM 0 HD13 LEU B 50 -2.277 19.107 -0.799 1.00 1.97 H new ATOM 0 HD21 LEU B 50 -1.031 16.853 -2.480 1.00 2.24 H new ATOM 0 HD22 LEU B 50 -0.795 17.025 -0.724 1.00 2.24 H new ATOM 0 HD23 LEU B 50 -1.427 15.501 -1.393 1.00 2.24 H new ATOM 2374 N LYS B 51 -7.129 16.865 -0.220 1.00 0.85 N ATOM 2375 CA LYS B 51 -8.237 16.323 -0.999 1.00 0.80 C ATOM 2376 C LYS B 51 -8.065 16.538 -2.490 1.00 0.89 C ATOM 2377 O LYS B 51 -7.389 17.466 -2.933 1.00 1.04 O ATOM 2378 CB LYS B 51 -9.549 16.942 -0.521 1.00 0.95 C ATOM 2379 CG LYS B 51 -10.767 16.614 -1.369 1.00 1.24 C ATOM 2380 CD LYS B 51 -11.919 17.549 -1.018 1.00 2.12 C ATOM 2381 CE LYS B 51 -13.272 16.972 -1.403 1.00 2.68 C ATOM 2382 NZ LYS B 51 -14.383 17.620 -0.652 1.00 3.58 N ATOM 0 H LYS B 51 -7.416 17.318 0.648 1.00 0.85 H new ATOM 0 HA LYS B 51 -8.253 15.245 -0.839 1.00 0.80 H new ATOM 0 HB2 LYS B 51 -9.737 16.611 0.500 1.00 0.95 H new ATOM 0 HB3 LYS B 51 -9.430 18.025 -0.488 1.00 0.95 H new ATOM 0 HG2 LYS B 51 -10.520 16.710 -2.426 1.00 1.24 H new ATOM 0 HG3 LYS B 51 -11.066 15.579 -1.204 1.00 1.24 H new ATOM 0 HD2 LYS B 51 -11.905 17.752 0.053 1.00 2.12 H new ATOM 0 HD3 LYS B 51 -11.776 18.503 -1.525 1.00 2.12 H new ATOM 0 HE2 LYS B 51 -13.432 17.103 -2.473 1.00 2.68 H new ATOM 0 HE3 LYS B 51 -13.279 15.900 -1.208 1.00 2.68 H new ATOM 0 HZ1 LYS B 51 -15.261 17.082 -0.798 1.00 3.58 H new ATOM 0 HZ2 LYS B 51 -14.153 17.638 0.362 1.00 3.58 H new ATOM 0 HZ3 LYS B 51 -14.512 18.593 -0.995 1.00 3.58 H new ATOM 2396 N ASP B 52 -8.692 15.657 -3.250 1.00 0.92 N ATOM 2397 CA ASP B 52 -8.635 15.709 -4.699 1.00 1.17 C ATOM 2398 C ASP B 52 -10.002 16.064 -5.259 1.00 1.24 C ATOM 2399 O ASP B 52 -10.103 16.637 -6.339 1.00 1.47 O ATOM 2400 CB ASP B 52 -8.166 14.366 -5.264 1.00 1.29 C ATOM 2401 CG ASP B 52 -8.127 14.358 -6.779 1.00 1.87 C ATOM 2402 OD1 ASP B 52 -9.171 14.065 -7.399 1.00 2.61 O ATOM 2403 OD2 ASP B 52 -7.051 14.645 -7.347 1.00 2.35 O ATOM 0 H ASP B 52 -9.253 14.889 -2.881 1.00 0.92 H new ATOM 0 HA ASP B 52 -7.920 16.477 -4.994 1.00 1.17 H new ATOM 0 HB2 ASP B 52 -7.173 14.139 -4.877 1.00 1.29 H new ATOM 0 HB3 ASP B 52 -8.832 13.576 -4.916 1.00 1.29 H new ATOM 2408 N VAL B 53 -11.048 15.735 -4.493 1.00 1.14 N ATOM 2409 CA VAL B 53 -12.429 16.002 -4.876 1.00 1.27 C ATOM 2410 C VAL B 53 -13.064 14.813 -5.586 1.00 1.24 C ATOM 2411 O VAL B 53 -13.059 14.673 -6.808 1.00 1.46 O ATOM 2412 CB VAL B 53 -12.594 17.336 -5.657 1.00 1.58 C ATOM 2413 CG1 VAL B 53 -12.566 17.175 -7.178 1.00 2.18 C ATOM 2414 CG2 VAL B 53 -13.874 18.032 -5.223 1.00 1.92 C ATOM 0 H VAL B 53 -10.955 15.275 -3.588 1.00 1.14 H new ATOM 0 HA VAL B 53 -12.986 16.141 -3.949 1.00 1.27 H new ATOM 0 HB VAL B 53 -11.727 17.947 -5.407 1.00 1.58 H new ATOM 0 HG11 VAL B 53 -12.687 18.150 -7.649 1.00 2.18 H new ATOM 0 HG12 VAL B 53 -11.613 16.742 -7.481 1.00 2.18 H new ATOM 0 HG13 VAL B 53 -13.378 16.518 -7.489 1.00 2.18 H new ATOM 0 HG21 VAL B 53 -13.985 18.966 -5.773 1.00 1.92 H new ATOM 0 HG22 VAL B 53 -14.727 17.386 -5.429 1.00 1.92 H new ATOM 0 HG23 VAL B 53 -13.829 18.243 -4.155 1.00 1.92 H new ATOM 2424 N GLY B 54 -13.568 13.924 -4.759 1.00 1.06 N ATOM 2425 CA GLY B 54 -14.249 12.736 -5.248 1.00 1.09 C ATOM 2426 C GLY B 54 -15.626 13.053 -5.799 1.00 1.13 C ATOM 2427 O GLY B 54 -16.614 13.040 -5.065 1.00 1.23 O ATOM 0 H GLY B 54 -13.521 13.997 -3.743 1.00 1.06 H new ATOM 0 HA2 GLY B 54 -13.647 12.268 -6.027 1.00 1.09 H new ATOM 0 HA3 GLY B 54 -14.341 12.012 -4.438 1.00 1.09 H new ATOM 2431 N SER B 55 -15.693 13.347 -7.093 1.00 1.16 N ATOM 2432 CA SER B 55 -16.958 13.675 -7.737 1.00 1.24 C ATOM 2433 C SER B 55 -18.007 12.606 -7.450 1.00 1.10 C ATOM 2434 O SER B 55 -17.744 11.411 -7.581 1.00 1.09 O ATOM 2435 CB SER B 55 -16.750 13.830 -9.241 1.00 1.40 C ATOM 2436 OG SER B 55 -16.561 12.574 -9.865 1.00 1.62 O ATOM 0 H SER B 55 -14.886 13.365 -7.716 1.00 1.16 H new ATOM 0 HA SER B 55 -17.321 14.619 -7.330 1.00 1.24 H new ATOM 0 HB2 SER B 55 -17.613 14.331 -9.680 1.00 1.40 H new ATOM 0 HB3 SER B 55 -15.884 14.465 -9.427 1.00 1.40 H new ATOM 0 HG SER B 55 -17.196 12.477 -10.605 1.00 1.62 H new ATOM 2442 N LEU B 56 -19.203 13.047 -7.070 1.00 1.15 N ATOM 2443 CA LEU B 56 -20.297 12.136 -6.737 1.00 1.10 C ATOM 2444 C LEU B 56 -20.383 10.958 -7.702 1.00 0.98 C ATOM 2445 O LEU B 56 -20.513 9.811 -7.276 1.00 0.97 O ATOM 2446 CB LEU B 56 -21.628 12.895 -6.707 1.00 1.28 C ATOM 2447 CG LEU B 56 -22.030 13.558 -8.028 1.00 2.03 C ATOM 2448 CD1 LEU B 56 -22.933 12.639 -8.837 1.00 2.61 C ATOM 2449 CD2 LEU B 56 -22.719 14.889 -7.767 1.00 2.83 C ATOM 0 H LEU B 56 -19.441 14.035 -6.984 1.00 1.15 H new ATOM 0 HA LEU B 56 -20.089 11.729 -5.748 1.00 1.10 H new ATOM 0 HB2 LEU B 56 -22.416 12.203 -6.412 1.00 1.28 H new ATOM 0 HB3 LEU B 56 -21.573 13.663 -5.935 1.00 1.28 H new ATOM 0 HG LEU B 56 -21.126 13.745 -8.607 1.00 2.03 H new ATOM 0 HD11 LEU B 56 -23.207 13.129 -9.771 1.00 2.61 H new ATOM 0 HD12 LEU B 56 -22.406 11.710 -9.055 1.00 2.61 H new ATOM 0 HD13 LEU B 56 -23.834 12.419 -8.265 1.00 2.61 H new ATOM 0 HD21 LEU B 56 -22.998 15.347 -8.716 1.00 2.83 H new ATOM 0 HD22 LEU B 56 -23.614 14.724 -7.167 1.00 2.83 H new ATOM 0 HD23 LEU B 56 -22.040 15.551 -7.231 1.00 2.83 H new ATOM 2461 N ASP B 57 -20.313 11.235 -8.997 1.00 1.00 N ATOM 2462 CA ASP B 57 -20.386 10.173 -9.993 1.00 1.01 C ATOM 2463 C ASP B 57 -19.248 9.204 -9.825 1.00 0.95 C ATOM 2464 O ASP B 57 -19.437 7.989 -9.793 1.00 0.97 O ATOM 2465 CB ASP B 57 -20.343 10.720 -11.410 1.00 1.15 C ATOM 2466 CG ASP B 57 -19.424 11.919 -11.552 1.00 1.69 C ATOM 2467 OD1 ASP B 57 -18.222 11.716 -11.818 1.00 2.19 O ATOM 2468 OD2 ASP B 57 -19.909 13.060 -11.398 1.00 2.48 O ATOM 0 H ASP B 57 -20.207 12.174 -9.380 1.00 1.00 H new ATOM 0 HA ASP B 57 -21.338 9.666 -9.836 1.00 1.01 H new ATOM 0 HB2 ASP B 57 -20.013 9.933 -12.088 1.00 1.15 H new ATOM 0 HB3 ASP B 57 -21.350 11.002 -11.716 1.00 1.15 H new ATOM 2473 N GLU B 58 -18.068 9.765 -9.710 1.00 0.94 N ATOM 2474 CA GLU B 58 -16.844 8.992 -9.544 1.00 0.95 C ATOM 2475 C GLU B 58 -17.053 7.959 -8.460 1.00 0.87 C ATOM 2476 O GLU B 58 -16.701 6.788 -8.606 1.00 0.90 O ATOM 2477 CB GLU B 58 -15.682 9.908 -9.166 1.00 0.98 C ATOM 2478 CG GLU B 58 -14.365 9.172 -8.993 1.00 1.44 C ATOM 2479 CD GLU B 58 -13.837 8.607 -10.297 1.00 1.80 C ATOM 2480 OE1 GLU B 58 -13.154 9.351 -11.033 1.00 2.29 O ATOM 2481 OE2 GLU B 58 -14.106 7.422 -10.584 1.00 2.42 O ATOM 0 H GLU B 58 -17.921 10.774 -9.728 1.00 0.94 H new ATOM 0 HA GLU B 58 -16.604 8.497 -10.485 1.00 0.95 H new ATOM 0 HB2 GLU B 58 -15.565 10.671 -9.936 1.00 0.98 H new ATOM 0 HB3 GLU B 58 -15.925 10.426 -8.238 1.00 0.98 H new ATOM 0 HG2 GLU B 58 -13.626 9.852 -8.570 1.00 1.44 H new ATOM 0 HG3 GLU B 58 -14.498 8.361 -8.277 1.00 1.44 H new ATOM 2488 N LYS B 59 -17.649 8.419 -7.373 1.00 0.81 N ATOM 2489 CA LYS B 59 -17.945 7.565 -6.250 1.00 0.76 C ATOM 2490 C LYS B 59 -18.910 6.463 -6.649 1.00 0.80 C ATOM 2491 O LYS B 59 -18.885 5.368 -6.087 1.00 0.79 O ATOM 2492 CB LYS B 59 -18.515 8.397 -5.106 1.00 0.75 C ATOM 2493 CG LYS B 59 -17.440 9.131 -4.329 1.00 0.75 C ATOM 2494 CD LYS B 59 -17.600 10.642 -4.428 1.00 1.14 C ATOM 2495 CE LYS B 59 -18.816 11.142 -3.664 1.00 1.95 C ATOM 2496 NZ LYS B 59 -18.918 12.628 -3.704 1.00 2.67 N ATOM 0 H LYS B 59 -17.937 9.390 -7.250 1.00 0.81 H new ATOM 0 HA LYS B 59 -17.022 7.092 -5.915 1.00 0.76 H new ATOM 0 HB2 LYS B 59 -19.227 9.119 -5.506 1.00 0.75 H new ATOM 0 HB3 LYS B 59 -19.068 7.746 -4.429 1.00 0.75 H new ATOM 0 HG2 LYS B 59 -17.479 8.830 -3.282 1.00 0.75 H new ATOM 0 HG3 LYS B 59 -16.459 8.844 -4.707 1.00 0.75 H new ATOM 0 HD2 LYS B 59 -16.704 11.127 -4.039 1.00 1.14 H new ATOM 0 HD3 LYS B 59 -17.688 10.928 -5.476 1.00 1.14 H new ATOM 0 HE2 LYS B 59 -19.719 10.704 -4.089 1.00 1.95 H new ATOM 0 HE3 LYS B 59 -18.757 10.809 -2.628 1.00 1.95 H new ATOM 0 HZ1 LYS B 59 -19.254 12.978 -2.784 1.00 2.67 H new ATOM 0 HZ2 LYS B 59 -17.983 13.035 -3.908 1.00 2.67 H new ATOM 0 HZ3 LYS B 59 -19.588 12.910 -4.448 1.00 2.67 H new ATOM 2510 N MET B 60 -19.759 6.760 -7.621 1.00 0.86 N ATOM 2511 CA MET B 60 -20.735 5.786 -8.096 1.00 0.92 C ATOM 2512 C MET B 60 -20.113 4.813 -9.097 1.00 0.96 C ATOM 2513 O MET B 60 -20.491 3.643 -9.154 1.00 1.01 O ATOM 2514 CB MET B 60 -21.930 6.499 -8.730 1.00 1.00 C ATOM 2515 CG MET B 60 -22.664 7.423 -7.772 1.00 1.01 C ATOM 2516 SD MET B 60 -24.290 7.909 -8.384 1.00 1.74 S ATOM 2517 CE MET B 60 -23.850 8.708 -9.925 1.00 2.31 C ATOM 0 H MET B 60 -19.794 7.662 -8.095 1.00 0.86 H new ATOM 0 HA MET B 60 -21.076 5.210 -7.235 1.00 0.92 H new ATOM 0 HB2 MET B 60 -21.585 7.077 -9.587 1.00 1.00 H new ATOM 0 HB3 MET B 60 -22.628 5.753 -9.109 1.00 1.00 H new ATOM 0 HG2 MET B 60 -22.776 6.926 -6.808 1.00 1.01 H new ATOM 0 HG3 MET B 60 -22.062 8.316 -7.602 1.00 1.01 H new ATOM 0 HE1 MET B 60 -24.754 8.920 -10.496 1.00 2.31 H new ATOM 0 HE2 MET B 60 -23.326 9.641 -9.715 1.00 2.31 H new ATOM 0 HE3 MET B 60 -23.202 8.050 -10.504 1.00 2.31 H new ATOM 2527 N LYS B 61 -19.158 5.302 -9.885 1.00 0.97 N ATOM 2528 CA LYS B 61 -18.495 4.468 -10.894 1.00 1.02 C ATOM 2529 C LYS B 61 -17.429 3.614 -10.249 1.00 0.96 C ATOM 2530 O LYS B 61 -17.477 2.385 -10.317 1.00 0.92 O ATOM 2531 CB LYS B 61 -17.862 5.303 -12.012 1.00 1.09 C ATOM 2532 CG LYS B 61 -18.304 6.757 -12.045 1.00 1.55 C ATOM 2533 CD LYS B 61 -17.757 7.484 -13.264 1.00 2.08 C ATOM 2534 CE LYS B 61 -18.261 6.862 -14.557 1.00 2.60 C ATOM 2535 NZ LYS B 61 -17.794 7.612 -15.756 1.00 3.16 N ATOM 0 H LYS B 61 -18.825 6.265 -9.848 1.00 0.97 H new ATOM 0 HA LYS B 61 -19.264 3.836 -11.338 1.00 1.02 H new ATOM 0 HB2 LYS B 61 -16.778 5.269 -11.903 1.00 1.09 H new ATOM 0 HB3 LYS B 61 -18.101 4.843 -12.971 1.00 1.09 H new ATOM 0 HG2 LYS B 61 -19.393 6.806 -12.050 1.00 1.55 H new ATOM 0 HG3 LYS B 61 -17.966 7.261 -11.139 1.00 1.55 H new ATOM 0 HD2 LYS B 61 -18.050 8.533 -13.225 1.00 2.08 H new ATOM 0 HD3 LYS B 61 -16.667 7.457 -13.247 1.00 2.08 H new ATOM 0 HE2 LYS B 61 -17.919 5.829 -14.620 1.00 2.60 H new ATOM 0 HE3 LYS B 61 -19.351 6.837 -14.547 1.00 2.60 H new ATOM 0 HZ1 LYS B 61 -18.160 7.155 -16.616 1.00 3.16 H new ATOM 0 HZ2 LYS B 61 -18.141 8.591 -15.710 1.00 3.16 H new ATOM 0 HZ3 LYS B 61 -16.754 7.614 -15.781 1.00 3.16 H new ATOM 2549 N THR B 62 -16.459 4.266 -9.619 1.00 0.99 N ATOM 2550 CA THR B 62 -15.394 3.547 -8.941 1.00 0.96 C ATOM 2551 C THR B 62 -16.000 2.520 -7.993 1.00 0.87 C ATOM 2552 O THR B 62 -15.371 1.521 -7.648 1.00 0.84 O ATOM 2553 CB THR B 62 -14.472 4.495 -8.158 1.00 1.03 C ATOM 2554 OG1 THR B 62 -13.980 5.524 -9.026 1.00 1.13 O ATOM 2555 CG2 THR B 62 -13.306 3.731 -7.551 1.00 1.05 C ATOM 0 H THR B 62 -16.390 5.282 -9.565 1.00 0.99 H new ATOM 0 HA THR B 62 -14.789 3.049 -9.699 1.00 0.96 H new ATOM 0 HB THR B 62 -15.047 4.948 -7.351 1.00 1.03 H new ATOM 0 HG1 THR B 62 -14.688 6.182 -9.187 1.00 1.13 H new ATOM 0 HG21 THR B 62 -12.666 4.421 -7.001 1.00 1.05 H new ATOM 0 HG22 THR B 62 -13.685 2.968 -6.871 1.00 1.05 H new ATOM 0 HG23 THR B 62 -12.730 3.256 -8.345 1.00 1.05 H new ATOM 2563 N LEU B 63 -17.242 2.789 -7.577 1.00 0.86 N ATOM 2564 CA LEU B 63 -17.992 1.891 -6.710 1.00 0.83 C ATOM 2565 C LEU B 63 -17.812 0.449 -7.182 1.00 0.80 C ATOM 2566 O LEU B 63 -17.665 -0.475 -6.383 1.00 0.89 O ATOM 2567 CB LEU B 63 -19.468 2.297 -6.753 1.00 0.95 C ATOM 2568 CG LEU B 63 -20.353 1.722 -5.653 1.00 0.92 C ATOM 2569 CD1 LEU B 63 -21.408 2.737 -5.237 1.00 1.05 C ATOM 2570 CD2 LEU B 63 -21.013 0.435 -6.123 1.00 1.41 C ATOM 0 H LEU B 63 -17.750 3.635 -7.834 1.00 0.86 H new ATOM 0 HA LEU B 63 -17.628 1.959 -5.685 1.00 0.83 H new ATOM 0 HB2 LEU B 63 -19.526 3.384 -6.707 1.00 0.95 H new ATOM 0 HB3 LEU B 63 -19.879 1.996 -7.717 1.00 0.95 H new ATOM 0 HG LEU B 63 -19.729 1.496 -4.788 1.00 0.92 H new ATOM 0 HD11 LEU B 63 -22.032 2.312 -4.451 1.00 1.05 H new ATOM 0 HD12 LEU B 63 -20.920 3.638 -4.865 1.00 1.05 H new ATOM 0 HD13 LEU B 63 -22.029 2.989 -6.097 1.00 1.05 H new ATOM 0 HD21 LEU B 63 -21.642 0.037 -5.327 1.00 1.41 H new ATOM 0 HD22 LEU B 63 -21.626 0.640 -7.001 1.00 1.41 H new ATOM 0 HD23 LEU B 63 -20.245 -0.295 -6.379 1.00 1.41 H new ATOM 2582 N ASP B 64 -17.827 0.275 -8.497 1.00 0.78 N ATOM 2583 CA ASP B 64 -17.628 -1.032 -9.101 1.00 0.81 C ATOM 2584 C ASP B 64 -16.139 -1.345 -9.179 1.00 0.81 C ATOM 2585 O ASP B 64 -15.711 -2.472 -8.929 1.00 0.88 O ATOM 2586 CB ASP B 64 -18.243 -1.063 -10.497 1.00 0.91 C ATOM 2587 CG ASP B 64 -18.373 -2.471 -11.044 1.00 1.34 C ATOM 2588 OD1 ASP B 64 -19.375 -3.143 -10.721 1.00 2.05 O ATOM 2589 OD2 ASP B 64 -17.474 -2.901 -11.797 1.00 1.96 O ATOM 0 H ASP B 64 -17.976 1.029 -9.168 1.00 0.78 H new ATOM 0 HA ASP B 64 -18.118 -1.786 -8.485 1.00 0.81 H new ATOM 0 HB2 ASP B 64 -19.228 -0.596 -10.467 1.00 0.91 H new ATOM 0 HB3 ASP B 64 -17.629 -0.469 -11.174 1.00 0.91 H new ATOM 2594 N VAL B 65 -15.357 -0.327 -9.530 1.00 0.81 N ATOM 2595 CA VAL B 65 -13.911 -0.463 -9.649 1.00 0.87 C ATOM 2596 C VAL B 65 -13.302 -0.993 -8.357 1.00 0.77 C ATOM 2597 O VAL B 65 -12.595 -2.000 -8.358 1.00 0.83 O ATOM 2598 CB VAL B 65 -13.253 0.887 -9.998 1.00 0.95 C ATOM 2599 CG1 VAL B 65 -11.743 0.737 -10.109 1.00 1.06 C ATOM 2600 CG2 VAL B 65 -13.836 1.446 -11.286 1.00 1.07 C ATOM 0 H VAL B 65 -15.706 0.608 -9.738 1.00 0.81 H new ATOM 0 HA VAL B 65 -13.721 -1.173 -10.454 1.00 0.87 H new ATOM 0 HB VAL B 65 -13.464 1.591 -9.193 1.00 0.95 H new ATOM 0 HG11 VAL B 65 -11.299 1.701 -10.356 1.00 1.06 H new ATOM 0 HG12 VAL B 65 -11.341 0.385 -9.159 1.00 1.06 H new ATOM 0 HG13 VAL B 65 -11.505 0.017 -10.892 1.00 1.06 H new ATOM 0 HG21 VAL B 65 -13.360 2.399 -11.517 1.00 1.07 H new ATOM 0 HG22 VAL B 65 -13.658 0.744 -12.101 1.00 1.07 H new ATOM 0 HG23 VAL B 65 -14.909 1.596 -11.165 1.00 1.07 H new ATOM 2610 N ASN B 66 -13.584 -0.306 -7.252 1.00 0.72 N ATOM 2611 CA ASN B 66 -13.067 -0.706 -5.943 1.00 0.67 C ATOM 2612 C ASN B 66 -13.907 -1.799 -5.298 1.00 0.56 C ATOM 2613 O ASN B 66 -13.833 -2.005 -4.087 1.00 0.57 O ATOM 2614 CB ASN B 66 -13.023 0.481 -4.994 1.00 0.81 C ATOM 2615 CG ASN B 66 -11.982 1.522 -5.374 1.00 0.82 C ATOM 2616 OD1 ASN B 66 -12.236 2.723 -5.287 1.00 1.52 O ATOM 2617 ND2 ASN B 66 -10.794 1.075 -5.775 1.00 1.10 N ATOM 0 H ASN B 66 -14.168 0.530 -7.236 1.00 0.72 H new ATOM 0 HA ASN B 66 -12.063 -1.091 -6.119 1.00 0.67 H new ATOM 0 HB2 ASN B 66 -14.005 0.953 -4.969 1.00 0.81 H new ATOM 0 HB3 ASN B 66 -12.816 0.123 -3.986 1.00 0.81 H new ATOM 0 HD21 ASN B 66 -10.057 1.736 -6.023 1.00 1.10 H new ATOM 0 HD22 ASN B 66 -10.620 0.072 -5.835 1.00 1.10 H new ATOM 2624 N GLN B 67 -14.714 -2.486 -6.092 1.00 0.63 N ATOM 2625 CA GLN B 67 -15.554 -3.559 -5.591 1.00 0.68 C ATOM 2626 C GLN B 67 -14.799 -4.433 -4.601 1.00 0.61 C ATOM 2627 O GLN B 67 -15.079 -4.434 -3.402 1.00 0.66 O ATOM 2628 CB GLN B 67 -16.027 -4.406 -6.766 1.00 0.90 C ATOM 2629 CG GLN B 67 -16.872 -5.602 -6.367 1.00 0.74 C ATOM 2630 CD GLN B 67 -16.521 -6.855 -7.148 1.00 1.20 C ATOM 2631 OE1 GLN B 67 -17.405 -7.594 -7.583 1.00 2.01 O ATOM 2632 NE2 GLN B 67 -15.228 -7.124 -7.300 1.00 1.44 N ATOM 0 H GLN B 67 -14.804 -2.316 -7.094 1.00 0.63 H new ATOM 0 HA GLN B 67 -16.407 -3.122 -5.072 1.00 0.68 H new ATOM 0 HB2 GLN B 67 -16.604 -3.777 -7.444 1.00 0.90 H new ATOM 0 HB3 GLN B 67 -15.157 -4.758 -7.320 1.00 0.90 H new ATOM 0 HG2 GLN B 67 -16.742 -5.794 -5.302 1.00 0.74 H new ATOM 0 HG3 GLN B 67 -17.925 -5.366 -6.522 1.00 0.74 H new ATOM 0 HE21 GLN B 67 -14.527 -6.486 -6.924 1.00 1.44 H new ATOM 0 HE22 GLN B 67 -14.937 -7.969 -7.792 1.00 1.44 H new ATOM 2641 N ASP B 68 -13.841 -5.173 -5.127 1.00 0.59 N ATOM 2642 CA ASP B 68 -13.026 -6.063 -4.325 1.00 0.62 C ATOM 2643 C ASP B 68 -11.829 -5.341 -3.726 1.00 0.59 C ATOM 2644 O ASP B 68 -10.867 -5.995 -3.326 1.00 0.65 O ATOM 2645 CB ASP B 68 -12.553 -7.262 -5.148 1.00 0.73 C ATOM 2646 CG ASP B 68 -13.647 -8.290 -5.355 1.00 0.97 C ATOM 2647 OD1 ASP B 68 -14.474 -8.469 -4.436 1.00 1.50 O ATOM 2648 OD2 ASP B 68 -13.675 -8.918 -6.435 1.00 1.58 O ATOM 0 H ASP B 68 -13.607 -5.174 -6.120 1.00 0.59 H new ATOM 0 HA ASP B 68 -13.652 -6.420 -3.507 1.00 0.62 H new ATOM 0 HB2 ASP B 68 -12.196 -6.915 -6.118 1.00 0.73 H new ATOM 0 HB3 ASP B 68 -11.707 -7.732 -4.647 1.00 0.73 H new ATOM 2653 N SER B 69 -11.875 -3.997 -3.648 1.00 0.56 N ATOM 2654 CA SER B 69 -10.749 -3.226 -3.099 1.00 0.58 C ATOM 2655 C SER B 69 -10.202 -3.915 -1.866 1.00 0.62 C ATOM 2656 O SER B 69 -9.011 -3.845 -1.563 1.00 0.74 O ATOM 2657 CB SER B 69 -11.167 -1.797 -2.759 1.00 0.66 C ATOM 2658 OG SER B 69 -10.895 -0.916 -3.835 1.00 1.74 O ATOM 0 H SER B 69 -12.668 -3.432 -3.954 1.00 0.56 H new ATOM 0 HA SER B 69 -9.971 -3.176 -3.861 1.00 0.58 H new ATOM 0 HB2 SER B 69 -12.231 -1.772 -2.525 1.00 0.66 H new ATOM 0 HB3 SER B 69 -10.637 -1.462 -1.868 1.00 0.66 H new ATOM 0 HG SER B 69 -10.507 -1.420 -4.580 1.00 1.74 H new ATOM 2664 N GLU B 70 -11.101 -4.577 -1.163 1.00 0.63 N ATOM 2665 CA GLU B 70 -10.731 -5.357 -0.009 1.00 0.76 C ATOM 2666 C GLU B 70 -11.345 -6.710 -0.118 1.00 0.77 C ATOM 2667 O GLU B 70 -12.400 -6.901 -0.720 1.00 0.81 O ATOM 2668 CB GLU B 70 -11.165 -4.771 1.328 1.00 0.84 C ATOM 2669 CG GLU B 70 -11.132 -5.822 2.465 1.00 1.33 C ATOM 2670 CD GLU B 70 -11.716 -5.397 3.775 1.00 2.19 C ATOM 2671 OE1 GLU B 70 -12.607 -4.536 3.780 1.00 2.73 O ATOM 2672 OE2 GLU B 70 -11.309 -5.981 4.800 1.00 2.87 O ATOM 0 H GLU B 70 -12.098 -4.587 -1.377 1.00 0.63 H new ATOM 0 HA GLU B 70 -9.641 -5.377 -0.014 1.00 0.76 H new ATOM 0 HB2 GLU B 70 -10.512 -3.938 1.587 1.00 0.84 H new ATOM 0 HB3 GLU B 70 -12.174 -4.369 1.236 1.00 0.84 H new ATOM 0 HG2 GLU B 70 -11.664 -6.711 2.125 1.00 1.33 H new ATOM 0 HG3 GLU B 70 -10.095 -6.115 2.631 1.00 1.33 H new ATOM 2679 N LEU B 71 -10.657 -7.643 0.475 1.00 0.79 N ATOM 2680 CA LEU B 71 -11.117 -8.974 0.503 1.00 0.83 C ATOM 2681 C LEU B 71 -10.671 -9.728 1.733 1.00 0.81 C ATOM 2682 O LEU B 71 -9.822 -9.282 2.505 1.00 0.86 O ATOM 2683 CB LEU B 71 -10.715 -9.705 -0.741 1.00 0.99 C ATOM 2684 CG LEU B 71 -9.239 -9.663 -1.029 1.00 0.78 C ATOM 2685 CD1 LEU B 71 -8.799 -8.214 -1.265 1.00 1.89 C ATOM 2686 CD2 LEU B 71 -8.466 -10.325 0.088 1.00 1.25 C ATOM 0 H LEU B 71 -9.766 -7.489 0.947 1.00 0.79 H new ATOM 0 HA LEU B 71 -12.205 -8.922 0.547 1.00 0.83 H new ATOM 0 HB2 LEU B 71 -11.028 -10.746 -0.655 1.00 0.99 H new ATOM 0 HB3 LEU B 71 -11.252 -9.280 -1.589 1.00 0.99 H new ATOM 0 HG LEU B 71 -9.025 -10.224 -1.939 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -7.729 -8.188 -1.473 1.00 1.89 H new ATOM 0 HD12 LEU B 71 -9.344 -7.802 -2.114 1.00 1.89 H new ATOM 0 HD13 LEU B 71 -9.010 -7.620 -0.376 1.00 1.89 H new ATOM 0 HD21 LEU B 71 -7.400 -10.287 -0.135 1.00 1.25 H new ATOM 0 HD22 LEU B 71 -8.660 -9.802 1.024 1.00 1.25 H new ATOM 0 HD23 LEU B 71 -8.780 -11.365 0.181 1.00 1.25 H new ATOM 2698 N ARG B 72 -11.280 -10.869 1.889 1.00 0.77 N ATOM 2699 CA ARG B 72 -10.967 -11.809 2.936 1.00 0.80 C ATOM 2700 C ARG B 72 -10.469 -13.097 2.279 1.00 0.69 C ATOM 2701 O ARG B 72 -10.109 -14.049 2.969 1.00 0.76 O ATOM 2702 CB ARG B 72 -12.211 -12.143 3.767 1.00 0.91 C ATOM 2703 CG ARG B 72 -13.265 -11.062 3.782 1.00 1.00 C ATOM 2704 CD ARG B 72 -12.702 -9.748 4.270 1.00 1.06 C ATOM 2705 NE ARG B 72 -12.616 -9.705 5.729 1.00 1.30 N ATOM 2706 CZ ARG B 72 -11.710 -9.002 6.405 1.00 1.18 C ATOM 2707 NH1 ARG B 72 -10.816 -8.257 5.765 1.00 1.55 N ATOM 2708 NH2 ARG B 72 -11.698 -9.041 7.730 1.00 1.42 N ATOM 0 H ARG B 72 -12.031 -11.183 1.274 1.00 0.77 H new ATOM 0 HA ARG B 72 -10.215 -11.372 3.593 1.00 0.80 H new ATOM 0 HB2 ARG B 72 -12.655 -13.060 3.380 1.00 0.91 H new ATOM 0 HB3 ARG B 72 -11.903 -12.346 4.793 1.00 0.91 H new ATOM 0 HG2 ARG B 72 -13.672 -10.935 2.779 1.00 1.00 H new ATOM 0 HG3 ARG B 72 -14.091 -11.366 4.425 1.00 1.00 H new ATOM 0 HD2 ARG B 72 -11.711 -9.595 3.842 1.00 1.06 H new ATOM 0 HD3 ARG B 72 -13.330 -8.930 3.918 1.00 1.06 H new ATOM 0 HE ARG B 72 -13.294 -10.249 6.263 1.00 1.30 H new ATOM 0 HH11 ARG B 72 -10.819 -8.220 4.746 1.00 1.55 H new ATOM 0 HH12 ARG B 72 -10.126 -7.722 6.293 1.00 1.55 H new ATOM 0 HH21 ARG B 72 -12.382 -9.609 8.230 1.00 1.42 H new ATOM 0 HH22 ARG B 72 -11.005 -8.503 8.250 1.00 1.42 H new ATOM 2722 N PHE B 73 -10.423 -13.116 0.928 1.00 0.60 N ATOM 2723 CA PHE B 73 -10.037 -14.303 0.208 1.00 0.57 C ATOM 2724 C PHE B 73 -8.780 -14.080 -0.686 1.00 0.52 C ATOM 2725 O PHE B 73 -7.712 -13.839 -0.150 1.00 0.63 O ATOM 2726 CB PHE B 73 -11.285 -14.889 -0.511 1.00 0.65 C ATOM 2727 CG PHE B 73 -11.821 -14.130 -1.709 1.00 0.59 C ATOM 2728 CD1 PHE B 73 -12.185 -12.784 -1.640 1.00 1.24 C ATOM 2729 CD2 PHE B 73 -11.939 -14.780 -2.931 1.00 1.36 C ATOM 2730 CE1 PHE B 73 -12.649 -12.122 -2.764 1.00 1.32 C ATOM 2731 CE2 PHE B 73 -12.407 -14.118 -4.047 1.00 1.44 C ATOM 2732 CZ PHE B 73 -12.762 -12.791 -3.964 1.00 0.87 C ATOM 0 H PHE B 73 -10.651 -12.317 0.337 1.00 0.60 H new ATOM 0 HA PHE B 73 -9.694 -15.069 0.904 1.00 0.57 H new ATOM 0 HB2 PHE B 73 -11.043 -15.901 -0.835 1.00 0.65 H new ATOM 0 HB3 PHE B 73 -12.088 -14.972 0.222 1.00 0.65 H new ATOM 0 HD1 PHE B 73 -12.104 -12.255 -0.702 1.00 1.24 H new ATOM 0 HD2 PHE B 73 -11.660 -15.820 -3.009 1.00 1.36 H new ATOM 0 HE1 PHE B 73 -12.923 -11.079 -2.701 1.00 1.32 H new ATOM 0 HE2 PHE B 73 -12.495 -14.642 -4.987 1.00 1.44 H new ATOM 0 HZ PHE B 73 -13.129 -12.274 -4.838 1.00 0.87 H new ATOM 2742 N SER B 74 -8.876 -14.074 -2.019 1.00 0.48 N ATOM 2743 CA SER B 74 -7.674 -13.957 -2.857 1.00 0.48 C ATOM 2744 C SER B 74 -7.661 -12.685 -3.659 1.00 0.42 C ATOM 2745 O SER B 74 -6.744 -12.443 -4.444 1.00 0.46 O ATOM 2746 CB SER B 74 -7.521 -15.133 -3.819 1.00 0.63 C ATOM 2747 OG SER B 74 -8.782 -15.635 -4.226 1.00 1.03 O ATOM 0 H SER B 74 -9.753 -14.147 -2.535 1.00 0.48 H new ATOM 0 HA SER B 74 -6.838 -13.952 -2.157 1.00 0.48 H new ATOM 0 HB2 SER B 74 -6.953 -14.817 -4.694 1.00 0.63 H new ATOM 0 HB3 SER B 74 -6.950 -15.927 -3.338 1.00 0.63 H new ATOM 0 HG SER B 74 -8.652 -16.386 -4.842 1.00 1.03 H new ATOM 2753 N GLU B 75 -8.672 -11.874 -3.472 1.00 0.43 N ATOM 2754 CA GLU B 75 -8.749 -10.619 -4.170 1.00 0.42 C ATOM 2755 C GLU B 75 -7.678 -9.656 -3.633 1.00 0.42 C ATOM 2756 O GLU B 75 -7.548 -8.556 -4.141 1.00 0.56 O ATOM 2757 CB GLU B 75 -10.155 -10.028 -3.951 1.00 0.44 C ATOM 2758 CG GLU B 75 -11.173 -10.378 -5.007 1.00 0.59 C ATOM 2759 CD GLU B 75 -10.910 -9.700 -6.336 1.00 0.93 C ATOM 2760 OE1 GLU B 75 -9.954 -8.904 -6.415 1.00 1.60 O ATOM 2761 OE2 GLU B 75 -11.660 -9.968 -7.298 1.00 1.41 O ATOM 0 H GLU B 75 -9.452 -12.062 -2.842 1.00 0.43 H new ATOM 0 HA GLU B 75 -8.572 -10.769 -5.235 1.00 0.42 H new ATOM 0 HB2 GLU B 75 -10.527 -10.367 -2.984 1.00 0.44 H new ATOM 0 HB3 GLU B 75 -10.070 -8.943 -3.897 1.00 0.44 H new ATOM 0 HG2 GLU B 75 -11.180 -11.458 -5.152 1.00 0.59 H new ATOM 0 HG3 GLU B 75 -12.165 -10.098 -4.653 1.00 0.59 H new ATOM 2768 N TYR B 76 -6.921 -10.074 -2.578 1.00 0.38 N ATOM 2769 CA TYR B 76 -5.920 -9.211 -1.926 1.00 0.38 C ATOM 2770 C TYR B 76 -5.152 -8.330 -2.901 1.00 0.39 C ATOM 2771 O TYR B 76 -4.694 -7.251 -2.536 1.00 0.42 O ATOM 2772 CB TYR B 76 -4.967 -9.997 -1.008 1.00 0.40 C ATOM 2773 CG TYR B 76 -5.359 -9.979 0.461 1.00 0.41 C ATOM 2774 CD1 TYR B 76 -6.111 -8.942 1.010 1.00 1.29 C ATOM 2775 CD2 TYR B 76 -5.027 -11.040 1.288 1.00 1.22 C ATOM 2776 CE1 TYR B 76 -6.516 -8.964 2.320 1.00 1.29 C ATOM 2777 CE2 TYR B 76 -5.423 -11.067 2.611 1.00 1.26 C ATOM 2778 CZ TYR B 76 -6.171 -10.028 3.122 1.00 0.48 C ATOM 2779 OH TYR B 76 -6.574 -10.054 4.437 1.00 0.54 O ATOM 0 H TYR B 76 -6.993 -11.006 -2.169 1.00 0.38 H new ATOM 0 HA TYR B 76 -6.498 -8.538 -1.293 1.00 0.38 H new ATOM 0 HB2 TYR B 76 -4.924 -11.032 -1.348 1.00 0.40 H new ATOM 0 HB3 TYR B 76 -3.962 -9.586 -1.109 1.00 0.40 H new ATOM 0 HD1 TYR B 76 -6.381 -8.101 0.389 1.00 1.29 H new ATOM 0 HD2 TYR B 76 -4.448 -11.861 0.891 1.00 1.22 H new ATOM 0 HE1 TYR B 76 -7.103 -8.150 2.720 1.00 1.29 H new ATOM 0 HE2 TYR B 76 -5.148 -11.899 3.243 1.00 1.26 H new ATOM 0 HH TYR B 76 -6.248 -10.874 4.863 1.00 0.54 H new ATOM 2789 N TRP B 77 -5.026 -8.770 -4.136 1.00 0.40 N ATOM 2790 CA TRP B 77 -4.362 -7.963 -5.167 1.00 0.43 C ATOM 2791 C TRP B 77 -5.090 -6.631 -5.338 1.00 0.45 C ATOM 2792 O TRP B 77 -4.609 -5.734 -6.016 1.00 0.50 O ATOM 2793 CB TRP B 77 -4.378 -8.708 -6.496 1.00 0.45 C ATOM 2794 CG TRP B 77 -5.773 -8.933 -6.987 1.00 0.45 C ATOM 2795 CD1 TRP B 77 -6.664 -7.975 -7.370 1.00 0.50 C ATOM 2796 CD2 TRP B 77 -6.448 -10.186 -7.113 1.00 0.46 C ATOM 2797 NE1 TRP B 77 -7.842 -8.555 -7.745 1.00 0.53 N ATOM 2798 CE2 TRP B 77 -7.739 -9.915 -7.598 1.00 0.51 C ATOM 2799 CE3 TRP B 77 -6.083 -11.509 -6.870 1.00 0.47 C ATOM 2800 CZ2 TRP B 77 -8.670 -10.923 -7.842 1.00 0.56 C ATOM 2801 CZ3 TRP B 77 -7.003 -12.509 -7.109 1.00 0.53 C ATOM 2802 CH2 TRP B 77 -8.284 -12.213 -7.592 1.00 0.56 C ATOM 0 H TRP B 77 -5.369 -9.675 -4.460 1.00 0.40 H new ATOM 0 HA TRP B 77 -3.333 -7.780 -4.858 1.00 0.43 H new ATOM 0 HB2 TRP B 77 -3.818 -8.140 -7.239 1.00 0.45 H new ATOM 0 HB3 TRP B 77 -3.873 -9.667 -6.382 1.00 0.45 H new ATOM 0 HD1 TRP B 77 -6.467 -6.913 -7.376 1.00 0.50 H new ATOM 0 HE1 TRP B 77 -8.666 -8.057 -8.081 1.00 0.53 H new ATOM 0 HE3 TRP B 77 -5.096 -11.747 -6.501 1.00 0.47 H new ATOM 0 HZ2 TRP B 77 -9.658 -10.696 -8.214 1.00 0.56 H new ATOM 0 HZ3 TRP B 77 -6.731 -13.537 -6.921 1.00 0.53 H new ATOM 0 HH2 TRP B 77 -8.981 -13.018 -7.771 1.00 0.56 H new ATOM 2813 N ARG B 78 -6.290 -6.540 -4.781 1.00 0.43 N ATOM 2814 CA ARG B 78 -7.071 -5.344 -4.838 1.00 0.47 C ATOM 2815 C ARG B 78 -6.508 -4.302 -3.882 1.00 0.49 C ATOM 2816 O ARG B 78 -6.376 -3.135 -4.249 1.00 0.62 O ATOM 2817 CB ARG B 78 -8.529 -5.670 -4.531 1.00 0.50 C ATOM 2818 CG ARG B 78 -9.214 -6.467 -5.625 1.00 0.61 C ATOM 2819 CD ARG B 78 -9.671 -5.593 -6.784 1.00 0.77 C ATOM 2820 NE ARG B 78 -8.559 -4.992 -7.516 1.00 1.49 N ATOM 2821 CZ ARG B 78 -8.642 -3.841 -8.181 1.00 1.76 C ATOM 2822 NH1 ARG B 78 -9.788 -3.174 -8.230 1.00 1.37 N ATOM 2823 NH2 ARG B 78 -7.578 -3.364 -8.812 1.00 2.83 N ATOM 0 H ARG B 78 -6.738 -7.306 -4.278 1.00 0.43 H new ATOM 0 HA ARG B 78 -7.025 -4.922 -5.842 1.00 0.47 H new ATOM 0 HB2 ARG B 78 -8.579 -6.231 -3.598 1.00 0.50 H new ATOM 0 HB3 ARG B 78 -9.076 -4.740 -4.373 1.00 0.50 H new ATOM 0 HG2 ARG B 78 -8.530 -7.230 -5.997 1.00 0.61 H new ATOM 0 HG3 ARG B 78 -10.075 -6.988 -5.206 1.00 0.61 H new ATOM 0 HD2 ARG B 78 -10.269 -6.192 -7.470 1.00 0.77 H new ATOM 0 HD3 ARG B 78 -10.318 -4.803 -6.403 1.00 0.77 H new ATOM 0 HE ARG B 78 -7.665 -5.483 -7.518 1.00 1.49 H new ATOM 0 HH11 ARG B 78 -10.613 -3.542 -7.756 1.00 1.37 H new ATOM 0 HH12 ARG B 78 -9.844 -2.293 -8.741 1.00 1.37 H new ATOM 0 HH21 ARG B 78 -6.698 -3.878 -8.788 1.00 2.83 H new ATOM 0 HH22 ARG B 78 -7.640 -2.483 -9.322 1.00 2.83 H new ATOM 2837 N LEU B 79 -6.160 -4.715 -2.654 1.00 0.42 N ATOM 2838 CA LEU B 79 -5.566 -3.780 -1.706 1.00 0.45 C ATOM 2839 C LEU B 79 -4.344 -3.148 -2.334 1.00 0.46 C ATOM 2840 O LEU B 79 -3.937 -2.044 -1.971 1.00 0.53 O ATOM 2841 CB LEU B 79 -5.120 -4.463 -0.423 1.00 0.53 C ATOM 2842 CG LEU B 79 -5.894 -5.691 0.009 1.00 0.62 C ATOM 2843 CD1 LEU B 79 -5.348 -6.176 1.344 1.00 1.23 C ATOM 2844 CD2 LEU B 79 -7.362 -5.372 0.120 1.00 0.88 C ATOM 0 H LEU B 79 -6.278 -5.667 -2.307 1.00 0.42 H new ATOM 0 HA LEU B 79 -6.329 -3.041 -1.462 1.00 0.45 H new ATOM 0 HB2 LEU B 79 -4.073 -4.745 -0.536 1.00 0.53 H new ATOM 0 HB3 LEU B 79 -5.168 -3.732 0.384 1.00 0.53 H new ATOM 0 HG LEU B 79 -5.777 -6.478 -0.736 1.00 0.62 H new ATOM 0 HD11 LEU B 79 -5.900 -7.060 1.663 1.00 1.23 H new ATOM 0 HD12 LEU B 79 -4.293 -6.426 1.236 1.00 1.23 H new ATOM 0 HD13 LEU B 79 -5.460 -5.390 2.090 1.00 1.23 H new ATOM 0 HD21 LEU B 79 -7.906 -6.264 0.431 1.00 0.88 H new ATOM 0 HD22 LEU B 79 -7.508 -4.582 0.857 1.00 0.88 H new ATOM 0 HD23 LEU B 79 -7.736 -5.038 -0.848 1.00 0.88 H new ATOM 2856 N ILE B 80 -3.761 -3.865 -3.287 1.00 0.44 N ATOM 2857 CA ILE B 80 -2.582 -3.409 -3.987 1.00 0.48 C ATOM 2858 C ILE B 80 -2.714 -1.921 -4.362 1.00 0.48 C ATOM 2859 O ILE B 80 -1.853 -1.109 -4.025 1.00 0.51 O ATOM 2860 CB ILE B 80 -2.317 -4.327 -5.223 1.00 0.52 C ATOM 2861 CG1 ILE B 80 -0.816 -4.549 -5.389 1.00 0.59 C ATOM 2862 CG2 ILE B 80 -2.906 -3.756 -6.512 1.00 0.55 C ATOM 2863 CD1 ILE B 80 -0.462 -5.407 -6.582 1.00 1.16 C ATOM 0 H ILE B 80 -4.098 -4.778 -3.591 1.00 0.44 H new ATOM 0 HA ILE B 80 -1.713 -3.484 -3.334 1.00 0.48 H new ATOM 0 HB ILE B 80 -2.816 -5.278 -5.035 1.00 0.52 H new ATOM 0 HG12 ILE B 80 -0.322 -3.582 -5.487 1.00 0.59 H new ATOM 0 HG13 ILE B 80 -0.424 -5.017 -4.486 1.00 0.59 H new ATOM 0 HG21 ILE B 80 -2.694 -4.432 -7.340 1.00 0.55 H new ATOM 0 HG22 ILE B 80 -3.985 -3.645 -6.401 1.00 0.55 H new ATOM 0 HG23 ILE B 80 -2.460 -2.782 -6.716 1.00 0.55 H new ATOM 0 HD11 ILE B 80 0.620 -5.523 -6.638 1.00 1.16 H new ATOM 0 HD12 ILE B 80 -0.927 -6.387 -6.476 1.00 1.16 H new ATOM 0 HD13 ILE B 80 -0.824 -4.930 -7.493 1.00 1.16 H new ATOM 2875 N GLY B 81 -3.798 -1.578 -5.055 1.00 0.47 N ATOM 2876 CA GLY B 81 -4.045 -0.196 -5.432 1.00 0.49 C ATOM 2877 C GLY B 81 -4.715 0.609 -4.323 1.00 0.43 C ATOM 2878 O GLY B 81 -4.906 1.819 -4.457 1.00 0.43 O ATOM 0 H GLY B 81 -4.513 -2.237 -5.363 1.00 0.47 H new ATOM 0 HA2 GLY B 81 -3.100 0.278 -5.698 1.00 0.49 H new ATOM 0 HA3 GLY B 81 -4.674 -0.174 -6.322 1.00 0.49 H new ATOM 2882 N GLU B 82 -5.077 -0.064 -3.229 1.00 0.42 N ATOM 2883 CA GLU B 82 -5.752 0.576 -2.108 1.00 0.39 C ATOM 2884 C GLU B 82 -4.781 1.295 -1.205 1.00 0.33 C ATOM 2885 O GLU B 82 -4.860 2.509 -1.029 1.00 0.34 O ATOM 2886 CB GLU B 82 -6.491 -0.454 -1.293 1.00 0.44 C ATOM 2887 CG GLU B 82 -7.630 -1.121 -2.045 1.00 0.46 C ATOM 2888 CD GLU B 82 -8.602 -0.115 -2.632 1.00 0.72 C ATOM 2889 OE1 GLU B 82 -9.464 0.387 -1.880 1.00 1.48 O ATOM 2890 OE2 GLU B 82 -8.498 0.173 -3.843 1.00 1.39 O ATOM 0 H GLU B 82 -4.910 -1.062 -3.099 1.00 0.42 H new ATOM 0 HA GLU B 82 -6.447 1.304 -2.525 1.00 0.39 H new ATOM 0 HB2 GLU B 82 -5.787 -1.218 -0.964 1.00 0.44 H new ATOM 0 HB3 GLU B 82 -6.888 0.021 -0.396 1.00 0.44 H new ATOM 0 HG2 GLU B 82 -7.221 -1.737 -2.846 1.00 0.46 H new ATOM 0 HG3 GLU B 82 -8.166 -1.789 -1.370 1.00 0.46 H new ATOM 2897 N LEU B 83 -3.859 0.532 -0.618 1.00 0.34 N ATOM 2898 CA LEU B 83 -2.855 1.105 0.265 1.00 0.35 C ATOM 2899 C LEU B 83 -2.223 2.298 -0.411 1.00 0.34 C ATOM 2900 O LEU B 83 -1.735 3.221 0.241 1.00 0.41 O ATOM 2901 CB LEU B 83 -1.782 0.072 0.610 1.00 0.43 C ATOM 2902 CG LEU B 83 -2.089 -0.801 1.823 1.00 0.50 C ATOM 2903 CD1 LEU B 83 -1.254 -2.070 1.788 1.00 1.27 C ATOM 2904 CD2 LEU B 83 -1.830 -0.029 3.108 1.00 1.31 C ATOM 0 H LEU B 83 -3.790 -0.478 -0.740 1.00 0.34 H new ATOM 0 HA LEU B 83 -3.336 1.417 1.192 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -1.631 -0.575 -0.254 1.00 0.43 H new ATOM 0 HB3 LEU B 83 -0.841 0.593 0.786 1.00 0.43 H new ATOM 0 HG LEU B 83 -3.142 -1.081 1.793 1.00 0.50 H new ATOM 0 HD11 LEU B 83 -1.485 -2.682 2.660 1.00 1.27 H new ATOM 0 HD12 LEU B 83 -1.482 -2.630 0.881 1.00 1.27 H new ATOM 0 HD13 LEU B 83 -0.196 -1.810 1.798 1.00 1.27 H new ATOM 0 HD21 LEU B 83 -2.053 -0.664 3.965 1.00 1.31 H new ATOM 0 HD22 LEU B 83 -0.784 0.276 3.145 1.00 1.31 H new ATOM 0 HD23 LEU B 83 -2.467 0.855 3.136 1.00 1.31 H new ATOM 2916 N ALA B 84 -2.244 2.263 -1.735 1.00 0.34 N ATOM 2917 CA ALA B 84 -1.693 3.349 -2.507 1.00 0.37 C ATOM 2918 C ALA B 84 -2.610 4.570 -2.510 1.00 0.41 C ATOM 2919 O ALA B 84 -2.131 5.704 -2.541 1.00 0.47 O ATOM 2920 CB ALA B 84 -1.416 2.905 -3.923 1.00 0.41 C ATOM 0 H ALA B 84 -2.634 1.499 -2.286 1.00 0.34 H new ATOM 0 HA ALA B 84 -0.756 3.640 -2.033 1.00 0.37 H new ATOM 0 HB1 ALA B 84 -1.001 3.738 -4.491 1.00 0.41 H new ATOM 0 HB2 ALA B 84 -0.703 2.081 -3.913 1.00 0.41 H new ATOM 0 HB3 ALA B 84 -2.345 2.575 -4.389 1.00 0.41 H new ATOM 2926 N LYS B 85 -3.933 4.347 -2.482 1.00 0.42 N ATOM 2927 CA LYS B 85 -4.900 5.457 -2.465 1.00 0.51 C ATOM 2928 C LYS B 85 -4.443 6.546 -1.517 1.00 0.50 C ATOM 2929 O LYS B 85 -4.707 7.730 -1.720 1.00 0.67 O ATOM 2930 CB LYS B 85 -6.290 4.976 -2.048 1.00 0.62 C ATOM 2931 CG LYS B 85 -6.891 3.927 -2.965 1.00 1.19 C ATOM 2932 CD LYS B 85 -7.947 3.107 -2.240 1.00 1.44 C ATOM 2933 CE LYS B 85 -8.999 3.987 -1.594 1.00 1.56 C ATOM 2934 NZ LYS B 85 -9.843 3.222 -0.636 1.00 2.69 N ATOM 0 H LYS B 85 -4.355 3.419 -2.471 1.00 0.42 H new ATOM 0 HA LYS B 85 -4.956 5.856 -3.478 1.00 0.51 H new ATOM 0 HB2 LYS B 85 -6.233 4.569 -1.039 1.00 0.62 H new ATOM 0 HB3 LYS B 85 -6.961 5.834 -2.008 1.00 0.62 H new ATOM 0 HG2 LYS B 85 -7.336 4.411 -3.834 1.00 1.19 H new ATOM 0 HG3 LYS B 85 -6.105 3.269 -3.334 1.00 1.19 H new ATOM 0 HD2 LYS B 85 -8.425 2.426 -2.944 1.00 1.44 H new ATOM 0 HD3 LYS B 85 -7.469 2.492 -1.477 1.00 1.44 H new ATOM 0 HE2 LYS B 85 -8.513 4.812 -1.073 1.00 1.56 H new ATOM 0 HE3 LYS B 85 -9.631 4.426 -2.366 1.00 1.56 H new ATOM 0 HZ1 LYS B 85 -10.843 3.305 -0.911 1.00 2.69 H new ATOM 0 HZ2 LYS B 85 -9.562 2.221 -0.649 1.00 2.69 H new ATOM 0 HZ3 LYS B 85 -9.715 3.605 0.322 1.00 2.69 H new ATOM 2948 N GLU B 86 -3.756 6.116 -0.484 1.00 0.44 N ATOM 2949 CA GLU B 86 -3.229 7.013 0.518 1.00 0.45 C ATOM 2950 C GLU B 86 -1.919 7.613 0.049 1.00 0.44 C ATOM 2951 O GLU B 86 -1.687 8.815 0.164 1.00 0.48 O ATOM 2952 CB GLU B 86 -3.003 6.258 1.815 1.00 0.48 C ATOM 2953 CG GLU B 86 -4.085 5.242 2.117 1.00 0.98 C ATOM 2954 CD GLU B 86 -5.426 5.894 2.364 1.00 2.07 C ATOM 2955 OE1 GLU B 86 -5.438 7.007 2.922 1.00 2.60 O ATOM 2956 OE2 GLU B 86 -6.459 5.299 1.994 1.00 2.90 O ATOM 0 H GLU B 86 -3.546 5.132 -0.315 1.00 0.44 H new ATOM 0 HA GLU B 86 -3.949 7.815 0.683 1.00 0.45 H new ATOM 0 HB2 GLU B 86 -2.040 5.749 1.767 1.00 0.48 H new ATOM 0 HB3 GLU B 86 -2.946 6.972 2.637 1.00 0.48 H new ATOM 0 HG2 GLU B 86 -4.170 4.545 1.283 1.00 0.98 H new ATOM 0 HG3 GLU B 86 -3.800 4.659 2.992 1.00 0.98 H new ATOM 2963 N VAL B 87 -1.072 6.751 -0.495 1.00 0.44 N ATOM 2964 CA VAL B 87 0.238 7.157 -0.963 1.00 0.46 C ATOM 2965 C VAL B 87 0.200 7.819 -2.344 1.00 0.46 C ATOM 2966 O VAL B 87 1.239 8.188 -2.890 1.00 0.54 O ATOM 2967 CB VAL B 87 1.202 5.964 -0.992 1.00 0.55 C ATOM 2968 CG1 VAL B 87 2.623 6.466 -1.101 1.00 1.01 C ATOM 2969 CG2 VAL B 87 1.033 5.113 0.256 1.00 0.81 C ATOM 0 H VAL B 87 -1.274 5.759 -0.622 1.00 0.44 H new ATOM 0 HA VAL B 87 0.596 7.902 -0.252 1.00 0.46 H new ATOM 0 HB VAL B 87 0.975 5.343 -1.859 1.00 0.55 H new ATOM 0 HG11 VAL B 87 3.308 5.618 -1.122 1.00 1.01 H new ATOM 0 HG12 VAL B 87 2.735 7.045 -2.018 1.00 1.01 H new ATOM 0 HG13 VAL B 87 2.853 7.097 -0.243 1.00 1.01 H new ATOM 0 HG21 VAL B 87 1.724 4.271 0.219 1.00 0.81 H new ATOM 0 HG22 VAL B 87 1.243 5.716 1.139 1.00 0.81 H new ATOM 0 HG23 VAL B 87 0.010 4.740 0.306 1.00 0.81 H new ATOM 2979 N ARG B 88 -0.991 7.978 -2.910 1.00 0.49 N ATOM 2980 CA ARG B 88 -1.122 8.598 -4.228 1.00 0.51 C ATOM 2981 C ARG B 88 -1.070 10.117 -4.133 1.00 0.50 C ATOM 2982 O ARG B 88 -0.319 10.767 -4.861 1.00 0.58 O ATOM 2983 CB ARG B 88 -2.420 8.147 -4.897 1.00 0.56 C ATOM 2984 CG ARG B 88 -2.549 8.608 -6.338 1.00 0.67 C ATOM 2985 CD ARG B 88 -3.816 8.074 -6.984 1.00 1.33 C ATOM 2986 NE ARG B 88 -3.845 6.615 -7.007 1.00 1.83 N ATOM 2987 CZ ARG B 88 -4.746 5.908 -7.682 1.00 2.72 C ATOM 2988 NH1 ARG B 88 -5.685 6.527 -8.386 1.00 3.25 N ATOM 2989 NH2 ARG B 88 -4.710 4.583 -7.655 1.00 3.50 N ATOM 0 H ARG B 88 -1.872 7.691 -2.484 1.00 0.49 H new ATOM 0 HA ARG B 88 -0.279 8.275 -4.839 1.00 0.51 H new ATOM 0 HB2 ARG B 88 -2.477 7.059 -4.865 1.00 0.56 H new ATOM 0 HB3 ARG B 88 -3.266 8.528 -4.325 1.00 0.56 H new ATOM 0 HG2 ARG B 88 -2.553 9.697 -6.373 1.00 0.67 H new ATOM 0 HG3 ARG B 88 -1.681 8.274 -6.907 1.00 0.67 H new ATOM 0 HD2 ARG B 88 -4.685 8.445 -6.440 1.00 1.33 H new ATOM 0 HD3 ARG B 88 -3.891 8.454 -8.003 1.00 1.33 H new ATOM 0 HE ARG B 88 -3.135 6.110 -6.476 1.00 1.83 H new ATOM 0 HH11 ARG B 88 -5.716 7.546 -8.410 1.00 3.25 H new ATOM 0 HH12 ARG B 88 -6.376 5.984 -8.904 1.00 3.25 H new ATOM 0 HH21 ARG B 88 -3.990 4.103 -7.115 1.00 3.50 H new ATOM 0 HH22 ARG B 88 -5.403 4.043 -8.174 1.00 3.50 H new ATOM 3003 N LYS B 89 -1.866 10.679 -3.238 1.00 0.47 N ATOM 3004 CA LYS B 89 -1.889 12.123 -3.048 1.00 0.49 C ATOM 3005 C LYS B 89 -0.712 12.532 -2.200 1.00 0.48 C ATOM 3006 O LYS B 89 -0.130 13.602 -2.373 1.00 0.53 O ATOM 3007 CB LYS B 89 -3.172 12.574 -2.357 1.00 0.56 C ATOM 3008 CG LYS B 89 -3.539 11.760 -1.105 1.00 0.69 C ATOM 3009 CD LYS B 89 -4.409 10.512 -1.374 1.00 1.55 C ATOM 3010 CE LYS B 89 -4.939 10.377 -2.810 1.00 2.46 C ATOM 3011 NZ LYS B 89 -5.912 11.446 -3.171 1.00 3.29 N ATOM 0 H LYS B 89 -2.503 10.161 -2.633 1.00 0.47 H new ATOM 0 HA LYS B 89 -1.840 12.594 -4.030 1.00 0.49 H new ATOM 0 HB2 LYS B 89 -3.070 13.622 -2.077 1.00 0.56 H new ATOM 0 HB3 LYS B 89 -3.995 12.513 -3.069 1.00 0.56 H new ATOM 0 HG2 LYS B 89 -2.620 11.445 -0.612 1.00 0.69 H new ATOM 0 HG3 LYS B 89 -4.068 12.411 -0.408 1.00 0.69 H new ATOM 0 HD2 LYS B 89 -3.824 9.624 -1.135 1.00 1.55 H new ATOM 0 HD3 LYS B 89 -5.258 10.528 -0.691 1.00 1.55 H new ATOM 0 HE2 LYS B 89 -4.100 10.406 -3.506 1.00 2.46 H new ATOM 0 HE3 LYS B 89 -5.416 9.404 -2.926 1.00 2.46 H new ATOM 0 HZ1 LYS B 89 -6.858 11.029 -3.289 1.00 3.29 H new ATOM 0 HZ2 LYS B 89 -5.940 12.160 -2.415 1.00 3.29 H new ATOM 0 HZ3 LYS B 89 -5.618 11.896 -4.061 1.00 3.29 H new ATOM 3025 N GLU B 90 -0.379 11.654 -1.277 1.00 0.47 N ATOM 3026 CA GLU B 90 0.721 11.868 -0.379 1.00 0.52 C ATOM 3027 C GLU B 90 2.020 12.064 -1.152 1.00 0.56 C ATOM 3028 O GLU B 90 2.999 12.570 -0.608 1.00 0.62 O ATOM 3029 CB GLU B 90 0.805 10.681 0.562 1.00 0.56 C ATOM 3030 CG GLU B 90 -0.249 10.721 1.649 1.00 0.62 C ATOM 3031 CD GLU B 90 -0.127 9.556 2.613 1.00 1.24 C ATOM 3032 OE1 GLU B 90 -0.493 8.424 2.231 1.00 1.93 O ATOM 3033 OE2 GLU B 90 0.338 9.774 3.752 1.00 1.93 O ATOM 0 H GLU B 90 -0.869 10.771 -1.133 1.00 0.47 H new ATOM 0 HA GLU B 90 0.561 12.777 0.201 1.00 0.52 H new ATOM 0 HB2 GLU B 90 0.696 9.760 -0.011 1.00 0.56 H new ATOM 0 HB3 GLU B 90 1.793 10.656 1.021 1.00 0.56 H new ATOM 0 HG2 GLU B 90 -0.163 11.657 2.201 1.00 0.62 H new ATOM 0 HG3 GLU B 90 -1.239 10.710 1.193 1.00 0.62 H new ATOM 3040 N LYS B 91 2.031 11.663 -2.427 1.00 0.54 N ATOM 3041 CA LYS B 91 3.218 11.837 -3.252 1.00 0.61 C ATOM 3042 C LYS B 91 3.637 13.299 -3.237 1.00 0.63 C ATOM 3043 O LYS B 91 4.807 13.625 -3.040 1.00 0.70 O ATOM 3044 CB LYS B 91 2.983 11.345 -4.685 1.00 0.62 C ATOM 3045 CG LYS B 91 2.233 12.312 -5.583 1.00 0.61 C ATOM 3046 CD LYS B 91 2.243 11.828 -7.025 1.00 0.67 C ATOM 3047 CE LYS B 91 1.564 12.824 -7.951 1.00 0.70 C ATOM 3048 NZ LYS B 91 1.596 12.373 -9.370 1.00 1.38 N ATOM 0 H LYS B 91 1.242 11.223 -2.900 1.00 0.54 H new ATOM 0 HA LYS B 91 4.023 11.232 -2.836 1.00 0.61 H new ATOM 0 HB2 LYS B 91 3.949 11.125 -5.140 1.00 0.62 H new ATOM 0 HB3 LYS B 91 2.429 10.407 -4.644 1.00 0.62 H new ATOM 0 HG2 LYS B 91 1.205 12.415 -5.236 1.00 0.61 H new ATOM 0 HG3 LYS B 91 2.690 13.300 -5.523 1.00 0.61 H new ATOM 0 HD2 LYS B 91 3.271 11.670 -7.350 1.00 0.67 H new ATOM 0 HD3 LYS B 91 1.737 10.865 -7.090 1.00 0.67 H new ATOM 0 HE2 LYS B 91 0.529 12.964 -7.638 1.00 0.70 H new ATOM 0 HE3 LYS B 91 2.057 13.793 -7.867 1.00 0.70 H new ATOM 0 HZ1 LYS B 91 1.123 13.079 -9.969 1.00 1.38 H new ATOM 0 HZ2 LYS B 91 2.584 12.263 -9.677 1.00 1.38 H new ATOM 0 HZ3 LYS B 91 1.104 11.461 -9.456 1.00 1.38 H new ATOM 3062 N ALA B 92 2.663 14.174 -3.448 1.00 0.60 N ATOM 3063 CA ALA B 92 2.910 15.613 -3.442 1.00 0.65 C ATOM 3064 C ALA B 92 2.926 16.181 -2.028 1.00 0.63 C ATOM 3065 O ALA B 92 3.503 17.240 -1.788 1.00 0.69 O ATOM 3066 CB ALA B 92 1.879 16.336 -4.297 1.00 0.73 C ATOM 0 H ALA B 92 1.693 13.914 -3.626 1.00 0.60 H new ATOM 0 HA ALA B 92 3.899 15.776 -3.870 1.00 0.65 H new ATOM 0 HB1 ALA B 92 2.079 17.407 -4.280 1.00 0.73 H new ATOM 0 HB2 ALA B 92 1.937 15.972 -5.323 1.00 0.73 H new ATOM 0 HB3 ALA B 92 0.881 16.147 -3.901 1.00 0.73 H new ATOM 3072 N LEU B 93 2.281 15.492 -1.095 1.00 0.62 N ATOM 3073 CA LEU B 93 2.246 15.959 0.284 1.00 0.65 C ATOM 3074 C LEU B 93 3.525 15.594 1.023 1.00 0.59 C ATOM 3075 O LEU B 93 3.975 16.329 1.904 1.00 0.63 O ATOM 3076 CB LEU B 93 1.048 15.386 1.034 1.00 0.74 C ATOM 3077 CG LEU B 93 0.839 15.996 2.416 1.00 0.81 C ATOM 3078 CD1 LEU B 93 -0.167 17.136 2.351 1.00 1.03 C ATOM 3079 CD2 LEU B 93 0.393 14.937 3.414 1.00 0.95 C ATOM 0 H LEU B 93 1.781 14.619 -1.265 1.00 0.62 H new ATOM 0 HA LEU B 93 2.154 17.045 0.249 1.00 0.65 H new ATOM 0 HB2 LEU B 93 0.149 15.543 0.438 1.00 0.74 H new ATOM 0 HB3 LEU B 93 1.178 14.309 1.138 1.00 0.74 H new ATOM 0 HG LEU B 93 1.792 16.400 2.758 1.00 0.81 H new ATOM 0 HD11 LEU B 93 -0.303 17.559 3.347 1.00 1.03 H new ATOM 0 HD12 LEU B 93 0.202 17.909 1.676 1.00 1.03 H new ATOM 0 HD13 LEU B 93 -1.121 16.759 1.984 1.00 1.03 H new ATOM 0 HD21 LEU B 93 0.250 15.396 4.392 1.00 0.95 H new ATOM 0 HD22 LEU B 93 -0.546 14.495 3.080 1.00 0.95 H new ATOM 0 HD23 LEU B 93 1.155 14.160 3.485 1.00 0.95 H new ATOM 3091 N GLY B 94 4.112 14.455 0.662 1.00 0.53 N ATOM 3092 CA GLY B 94 5.336 14.009 1.309 1.00 0.51 C ATOM 3093 C GLY B 94 6.333 15.128 1.495 1.00 0.52 C ATOM 3094 O GLY B 94 7.048 15.174 2.495 1.00 0.57 O ATOM 0 H GLY B 94 3.762 13.833 -0.067 1.00 0.53 H new ATOM 0 HA2 GLY B 94 5.093 13.578 2.280 1.00 0.51 H new ATOM 0 HA3 GLY B 94 5.790 13.217 0.713 1.00 0.51 H new ATOM 3098 N ILE B 95 6.380 16.032 0.526 1.00 0.53 N ATOM 3099 CA ILE B 95 7.291 17.158 0.598 1.00 0.57 C ATOM 3100 C ILE B 95 6.882 18.122 1.687 1.00 0.60 C ATOM 3101 O ILE B 95 6.524 19.268 1.413 1.00 0.67 O ATOM 3102 CB ILE B 95 7.377 17.919 -0.730 1.00 0.63 C ATOM 3103 CG1 ILE B 95 5.992 18.093 -1.349 1.00 1.32 C ATOM 3104 CG2 ILE B 95 8.291 17.184 -1.661 1.00 1.13 C ATOM 3105 CD1 ILE B 95 5.947 19.130 -2.452 1.00 1.68 C ATOM 0 H ILE B 95 5.800 16.005 -0.313 1.00 0.53 H new ATOM 0 HA ILE B 95 8.272 16.741 0.825 1.00 0.57 H new ATOM 0 HB ILE B 95 7.779 18.915 -0.547 1.00 0.63 H new ATOM 0 HG12 ILE B 95 5.659 17.135 -1.748 1.00 1.32 H new ATOM 0 HG13 ILE B 95 5.287 18.375 -0.567 1.00 1.32 H new ATOM 0 HG21 ILE B 95 8.355 17.721 -2.607 1.00 1.13 H new ATOM 0 HG22 ILE B 95 9.283 17.113 -1.216 1.00 1.13 H new ATOM 0 HG23 ILE B 95 7.900 16.182 -1.839 1.00 1.13 H new ATOM 0 HD11 ILE B 95 4.933 19.200 -2.845 1.00 1.68 H new ATOM 0 HD12 ILE B 95 6.249 20.098 -2.053 1.00 1.68 H new ATOM 0 HD13 ILE B 95 6.627 18.839 -3.253 1.00 1.68 H new ATOM 3117 N ARG B 96 6.928 17.659 2.927 1.00 0.64 N ATOM 3118 CA ARG B 96 6.578 18.519 4.041 1.00 0.74 C ATOM 3119 C ARG B 96 7.510 19.733 4.026 1.00 0.82 C ATOM 3120 O ARG B 96 7.172 20.803 4.533 1.00 0.93 O ATOM 3121 CB ARG B 96 6.630 17.737 5.367 1.00 0.84 C ATOM 3122 CG ARG B 96 7.929 17.863 6.144 1.00 1.65 C ATOM 3123 CD ARG B 96 7.911 19.088 7.044 1.00 2.45 C ATOM 3124 NE ARG B 96 9.125 19.198 7.846 1.00 2.91 N ATOM 3125 CZ ARG B 96 9.399 20.238 8.625 1.00 3.85 C ATOM 3126 NH1 ARG B 96 8.552 21.254 8.700 1.00 4.47 N ATOM 3127 NH2 ARG B 96 10.522 20.261 9.331 1.00 4.48 N ATOM 0 H ARG B 96 7.199 16.710 3.182 1.00 0.64 H new ATOM 0 HA ARG B 96 5.553 18.876 3.945 1.00 0.74 H new ATOM 0 HB2 ARG B 96 5.812 18.076 6.002 1.00 0.84 H new ATOM 0 HB3 ARG B 96 6.453 16.682 5.155 1.00 0.84 H new ATOM 0 HG2 ARG B 96 8.085 16.968 6.746 1.00 1.65 H new ATOM 0 HG3 ARG B 96 8.767 17.930 5.450 1.00 1.65 H new ATOM 0 HD2 ARG B 96 7.798 19.984 6.434 1.00 2.45 H new ATOM 0 HD3 ARG B 96 7.044 19.040 7.704 1.00 2.45 H new ATOM 0 HE ARG B 96 9.800 18.434 7.806 1.00 2.91 H new ATOM 0 HH11 ARG B 96 7.688 21.238 8.159 1.00 4.47 H new ATOM 0 HH12 ARG B 96 8.764 22.052 9.299 1.00 4.47 H new ATOM 0 HH21 ARG B 96 11.175 19.480 9.276 1.00 4.48 H new ATOM 0 HH22 ARG B 96 10.732 21.060 9.929 1.00 4.48 H new ATOM 3141 N LYS B 97 8.686 19.549 3.417 1.00 0.82 N ATOM 3142 CA LYS B 97 9.655 20.628 3.282 1.00 0.94 C ATOM 3143 C LYS B 97 9.341 21.438 2.033 1.00 0.93 C ATOM 3144 O LYS B 97 9.918 21.211 0.969 1.00 0.98 O ATOM 3145 CB LYS B 97 11.106 20.107 3.216 1.00 1.07 C ATOM 3146 CG LYS B 97 11.257 18.674 2.718 1.00 1.00 C ATOM 3147 CD LYS B 97 11.140 17.684 3.863 1.00 1.56 C ATOM 3148 CE LYS B 97 11.637 16.305 3.469 1.00 1.83 C ATOM 3149 NZ LYS B 97 11.521 15.336 4.593 1.00 2.90 N ATOM 0 H LYS B 97 8.985 18.662 3.012 1.00 0.82 H new ATOM 0 HA LYS B 97 9.576 21.256 4.169 1.00 0.94 H new ATOM 0 HB2 LYS B 97 11.682 20.764 2.565 1.00 1.07 H new ATOM 0 HB3 LYS B 97 11.547 20.178 4.210 1.00 1.07 H new ATOM 0 HG2 LYS B 97 10.492 18.463 1.971 1.00 1.00 H new ATOM 0 HG3 LYS B 97 12.223 18.556 2.228 1.00 1.00 H new ATOM 0 HD2 LYS B 97 11.713 18.046 4.717 1.00 1.56 H new ATOM 0 HD3 LYS B 97 10.100 17.618 4.182 1.00 1.56 H new ATOM 0 HE2 LYS B 97 11.065 15.942 2.615 1.00 1.83 H new ATOM 0 HE3 LYS B 97 12.677 16.370 3.151 1.00 1.83 H new ATOM 0 HZ1 LYS B 97 12.470 15.017 4.875 1.00 2.90 H new ATOM 0 HZ2 LYS B 97 11.056 15.796 5.401 1.00 2.90 H new ATOM 0 HZ3 LYS B 97 10.956 14.517 4.289 1.00 2.90 H new ATOM 3163 N LYS B 98 8.414 22.377 2.172 1.00 0.96 N ATOM 3164 CA LYS B 98 8.008 23.221 1.057 1.00 1.06 C ATOM 3165 C LYS B 98 8.538 24.641 1.228 1.00 1.21 C ATOM 3166 O LYS B 98 9.666 24.910 0.764 1.00 1.61 O ATOM 3167 CB LYS B 98 6.483 23.244 0.941 1.00 1.07 C ATOM 3168 CG LYS B 98 5.847 21.861 0.919 1.00 1.07 C ATOM 3169 CD LYS B 98 4.369 21.938 0.574 1.00 1.52 C ATOM 3170 CE LYS B 98 3.741 20.557 0.503 1.00 2.00 C ATOM 3171 NZ LYS B 98 3.830 19.838 1.804 1.00 2.73 N ATOM 3172 OXT LYS B 98 7.820 25.472 1.823 1.00 1.70 O ATOM 0 H LYS B 98 7.929 22.573 3.047 1.00 0.96 H new ATOM 0 HA LYS B 98 8.430 22.803 0.143 1.00 1.06 H new ATOM 0 HB2 LYS B 98 6.073 23.809 1.778 1.00 1.07 H new ATOM 0 HB3 LYS B 98 6.205 23.776 0.031 1.00 1.07 H new ATOM 0 HG2 LYS B 98 6.360 21.234 0.190 1.00 1.07 H new ATOM 0 HG3 LYS B 98 5.971 21.386 1.892 1.00 1.07 H new ATOM 0 HD2 LYS B 98 3.850 22.537 1.323 1.00 1.52 H new ATOM 0 HD3 LYS B 98 4.244 22.445 -0.382 1.00 1.52 H new ATOM 0 HE2 LYS B 98 2.695 20.649 0.210 1.00 2.00 H new ATOM 0 HE3 LYS B 98 4.239 19.971 -0.270 1.00 2.00 H new ATOM 0 HZ1 LYS B 98 3.195 19.015 1.790 1.00 2.73 H new ATOM 0 HZ2 LYS B 98 4.808 19.519 1.958 1.00 2.73 H new ATOM 0 HZ3 LYS B 98 3.550 20.478 2.574 1.00 2.73 H new