USER MOD reduce.3.24.130724 H: found=0, std=0, add=1614, rem=0, adj=44 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: B 45 GLN : amide:sc= -8.43! C(o=-9.8!,f=-12!) USER MOD Set 1.2: B 51 LYS NZ :NH3+ -120:sc= -1.34 (180deg=-3.89!) USER MOD Set 2.1: A 15 THR OG1 : rot -139:sc= 0.966 USER MOD Set 2.2: B 15 THR OG1 : rot 153:sc= 1.25 USER MOD Set 3.1: A 66 ASN : amide:sc= -0.863 K(o=-0.86,f=-4.8!) USER MOD Set 3.2: A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 59 LYS NZ :NH3+ 147:sc= -0.168 (180deg=-1.53!) USER MOD Set 4.2: B 1 MET CE :methyl 139:sc= -4.3! (180deg=-10.3!) USER MOD Set 5.1: A 45 GLN : amide:sc= -8.32! C(o=-9.7!,f=-11!) USER MOD Set 5.2: A 51 LYS NZ :NH3+ -120:sc= -1.4 (180deg=-3.88!) USER MOD Set 6.1: A 1 MET CE :methyl -108:sc= -4.87! (180deg=-12.3!) USER MOD Set 6.2: B 59 LYS NZ :NH3+ 148:sc= -0.191 (180deg=-1.55!) USER MOD Single : A 1 MET N :NH3+ -169:sc= -2.9! (180deg=-3.34!) USER MOD Single : A 5 THR OG1 : rot -18:sc= -1.42! USER MOD Single : A 7 THR OG1 : rot -172:sc= -4.05! USER MOD Single : A 18 SER OG : rot 88:sc= 0.66 USER MOD Single : A 19 THR OG1 : rot -81:sc= 1.16 USER MOD Single : A 22 THR OG1 : rot -76:sc= 0.819 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 58:sc= -1.75 USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 36 ASN : amide:sc= -0.528 X(o=-0.53,f=-0.87) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -99:sc= -2.22! USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 HIS : no HE2:sc= -5.58! C(o=-5.1!,f=-9.5!) USER MOD Single : A 55 SER OG : rot -177:sc= -0.378 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 165:sc= -0.0457 (180deg=-0.256) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -5.68! C(o=-5.7!,f=-8.3!) USER MOD Single : A 69 SER OG : rot -130:sc= -4.58! USER MOD Single : A 74 SER OG : rot 180:sc= -0.066 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.831 USER MOD Single : A 89 LYS NZ :NH3+ -147:sc= 1.06 (180deg=0.478) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 164:sc= -0.785 (180deg=-1.28) USER MOD Single : A 98 LYS NZ :NH3+ -174:sc= -1.92! (180deg=-1.96!) USER MOD Single : B 1 MET N :NH3+ -167:sc= -2.49 (180deg=-2.79!) USER MOD Single : B 5 THR OG1 : rot -40:sc= -1.38! USER MOD Single : B 7 THR OG1 : rot -170:sc= -4.91! USER MOD Single : B 18 SER OG : rot 87:sc= 0.647 USER MOD Single : B 19 THR OG1 : rot -78:sc= 1.15 USER MOD Single : B 22 THR OG1 : rot -85:sc= 1.16 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 60:sc= -1.55! USER MOD Single : B 34 ASN : amide:sc= 0 K(o=0,f=-2) USER MOD Single : B 36 ASN : amide:sc= -0.517 X(o=-0.52,f=-0.89) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 THR OG1 : rot -86:sc= -2.35! USER MOD Single : B 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 48 HIS : no HD1:sc= -4.9! C(o=-4.6!,f=-10!) USER MOD Single : B 55 SER OG : rot -172:sc= -0.53 USER MOD Single : B 60 MET CE :methyl 178:sc= 0 (180deg=-0.00394) USER MOD Single : B 61 LYS NZ :NH3+ 160:sc= -0.0724 (180deg=-0.423) USER MOD Single : B 62 THR OG1 : rot 180:sc= 0 USER MOD Single : B 66 ASN : amide:sc= -1.46 K(o=-1.5,f=-5.3!) USER MOD Single : B 67 GLN : amide:sc= -7.53! C(o=-7.5!,f=-16!) USER MOD Single : B 69 SER OG : rot 0:sc= -4.61! USER MOD Single : B 74 SER OG : rot 180:sc= -0.238 USER MOD Single : B 76 TYR OH : rot 180:sc= -0.355 USER MOD Single : B 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 89 LYS NZ :NH3+ -148:sc= 1 (180deg=0.101) USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 LYS NZ :NH3+ 171:sc= -1.14 (180deg=-1.36) USER MOD Single : B 98 LYS NZ :NH3+ -176:sc= -2.09! (180deg=-2.32!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.008 4.166 -1.889 1.00 0.64 N ATOM 2 CA MET A 1 -18.355 5.479 -2.120 1.00 0.59 C ATOM 3 C MET A 1 -17.056 5.310 -2.886 1.00 0.60 C ATOM 4 O MET A 1 -16.648 4.193 -3.196 1.00 0.61 O ATOM 5 CB MET A 1 -18.074 6.194 -0.796 1.00 0.57 C ATOM 6 CG MET A 1 -19.129 7.245 -0.411 1.00 0.61 C ATOM 7 SD MET A 1 -20.830 6.750 -0.816 1.00 0.96 S ATOM 8 CE MET A 1 -21.789 8.143 -0.226 1.00 1.17 C ATOM 0 H1 MET A 1 -19.974 4.316 -1.534 1.00 0.64 H new ATOM 0 H2 MET A 1 -19.047 3.635 -2.783 1.00 0.64 H new ATOM 0 H3 MET A 1 -18.462 3.625 -1.189 1.00 0.64 H new ATOM 0 HA MET A 1 -19.042 6.085 -2.711 1.00 0.59 H new ATOM 0 HB2 MET A 1 -18.011 5.451 -0.001 1.00 0.57 H new ATOM 0 HB3 MET A 1 -17.100 6.679 -0.857 1.00 0.57 H new ATOM 0 HG2 MET A 1 -19.061 7.440 0.659 1.00 0.61 H new ATOM 0 HG3 MET A 1 -18.901 8.181 -0.921 1.00 0.61 H new ATOM 0 HE1 MET A 1 -22.334 7.855 0.673 1.00 1.17 H new ATOM 0 HE2 MET A 1 -21.121 8.973 0.005 1.00 1.17 H new ATOM 0 HE3 MET A 1 -22.496 8.450 -0.996 1.00 1.17 H new ATOM 20 N ALA A 2 -16.424 6.430 -3.216 1.00 0.62 N ATOM 21 CA ALA A 2 -15.174 6.398 -3.960 1.00 0.65 C ATOM 22 C ALA A 2 -13.993 6.910 -3.153 1.00 0.62 C ATOM 23 O ALA A 2 -14.019 8.023 -2.632 1.00 0.72 O ATOM 24 CB ALA A 2 -15.305 7.195 -5.245 1.00 0.73 C ATOM 0 H ALA A 2 -16.755 7.366 -2.981 1.00 0.62 H new ATOM 0 HA ALA A 2 -14.975 5.352 -4.192 1.00 0.65 H new ATOM 0 HB1 ALA A 2 -14.362 7.162 -5.791 1.00 0.73 H new ATOM 0 HB2 ALA A 2 -16.096 6.766 -5.860 1.00 0.73 H new ATOM 0 HB3 ALA A 2 -15.551 8.230 -5.008 1.00 0.73 H new ATOM 30 N ALA A 3 -12.946 6.102 -3.063 1.00 0.73 N ATOM 31 CA ALA A 3 -11.749 6.519 -2.359 1.00 0.76 C ATOM 32 C ALA A 3 -11.043 7.583 -3.185 1.00 0.66 C ATOM 33 O ALA A 3 -10.257 7.272 -4.079 1.00 0.81 O ATOM 34 CB ALA A 3 -10.832 5.330 -2.102 1.00 1.06 C ATOM 0 H ALA A 3 -12.903 5.165 -3.465 1.00 0.73 H new ATOM 0 HA ALA A 3 -12.021 6.935 -1.389 1.00 0.76 H new ATOM 0 HB1 ALA A 3 -9.940 5.666 -1.573 1.00 1.06 H new ATOM 0 HB2 ALA A 3 -11.356 4.590 -1.497 1.00 1.06 H new ATOM 0 HB3 ALA A 3 -10.543 4.882 -3.052 1.00 1.06 H new ATOM 40 N GLU A 4 -11.334 8.843 -2.883 1.00 0.63 N ATOM 41 CA GLU A 4 -10.760 9.957 -3.624 1.00 0.75 C ATOM 42 C GLU A 4 -9.257 10.091 -3.389 1.00 0.74 C ATOM 43 O GLU A 4 -8.453 9.536 -4.139 1.00 0.85 O ATOM 44 CB GLU A 4 -11.446 11.263 -3.247 1.00 0.97 C ATOM 45 CG GLU A 4 -12.866 11.405 -3.760 1.00 1.44 C ATOM 46 CD GLU A 4 -13.039 10.885 -5.176 1.00 2.42 C ATOM 47 OE1 GLU A 4 -13.322 9.680 -5.336 1.00 3.20 O ATOM 48 OE2 GLU A 4 -12.891 11.686 -6.124 1.00 3.03 O ATOM 0 H GLU A 4 -11.964 9.118 -2.130 1.00 0.63 H new ATOM 0 HA GLU A 4 -10.922 9.748 -4.681 1.00 0.75 H new ATOM 0 HB2 GLU A 4 -11.456 11.352 -2.161 1.00 0.97 H new ATOM 0 HB3 GLU A 4 -10.852 12.093 -3.629 1.00 0.97 H new ATOM 0 HG2 GLU A 4 -13.542 10.867 -3.096 1.00 1.44 H new ATOM 0 HG3 GLU A 4 -13.155 12.455 -3.726 1.00 1.44 H new ATOM 55 N THR A 5 -8.882 10.826 -2.346 1.00 0.69 N ATOM 56 CA THR A 5 -7.478 11.052 -2.038 1.00 0.74 C ATOM 57 C THR A 5 -6.888 9.940 -1.175 1.00 0.61 C ATOM 58 O THR A 5 -6.434 8.921 -1.692 1.00 0.78 O ATOM 59 CB THR A 5 -7.282 12.426 -1.352 1.00 0.93 C ATOM 60 OG1 THR A 5 -7.612 13.471 -2.275 1.00 1.43 O ATOM 61 CG2 THR A 5 -5.857 12.639 -0.842 1.00 1.09 C ATOM 0 H THR A 5 -9.533 11.274 -1.701 1.00 0.69 H new ATOM 0 HA THR A 5 -6.940 11.048 -2.986 1.00 0.74 H new ATOM 0 HB THR A 5 -7.943 12.448 -0.486 1.00 0.93 H new ATOM 0 HG1 THR A 5 -7.609 13.114 -3.188 1.00 1.43 H new ATOM 0 HG21 THR A 5 -5.782 13.619 -0.371 1.00 1.09 H new ATOM 0 HG22 THR A 5 -5.612 11.867 -0.113 1.00 1.09 H new ATOM 0 HG23 THR A 5 -5.159 12.583 -1.678 1.00 1.09 H new ATOM 69 N LEU A 6 -6.904 10.127 0.135 1.00 0.54 N ATOM 70 CA LEU A 6 -6.302 9.164 1.035 1.00 0.50 C ATOM 71 C LEU A 6 -7.333 8.346 1.778 1.00 0.49 C ATOM 72 O LEU A 6 -8.052 8.870 2.624 1.00 0.56 O ATOM 73 CB LEU A 6 -5.427 9.896 2.057 1.00 0.61 C ATOM 74 CG LEU A 6 -4.250 10.688 1.485 1.00 0.75 C ATOM 75 CD1 LEU A 6 -4.427 12.175 1.753 1.00 1.15 C ATOM 76 CD2 LEU A 6 -2.941 10.197 2.082 1.00 1.07 C ATOM 0 H LEU A 6 -7.326 10.934 0.595 1.00 0.54 H new ATOM 0 HA LEU A 6 -5.706 8.484 0.426 1.00 0.50 H new ATOM 0 HB2 LEU A 6 -6.059 10.580 2.623 1.00 0.61 H new ATOM 0 HB3 LEU A 6 -5.037 9.163 2.764 1.00 0.61 H new ATOM 0 HG LEU A 6 -4.222 10.532 0.407 1.00 0.75 H new ATOM 0 HD11 LEU A 6 -3.580 12.723 1.339 1.00 1.15 H new ATOM 0 HD12 LEU A 6 -5.348 12.522 1.284 1.00 1.15 H new ATOM 0 HD13 LEU A 6 -4.480 12.347 2.828 1.00 1.15 H new ATOM 0 HD21 LEU A 6 -2.113 10.770 1.665 1.00 1.07 H new ATOM 0 HD22 LEU A 6 -2.963 10.327 3.164 1.00 1.07 H new ATOM 0 HD23 LEU A 6 -2.807 9.141 1.846 1.00 1.07 H new ATOM 88 N THR A 7 -7.419 7.062 1.466 1.00 0.50 N ATOM 89 CA THR A 7 -8.340 6.212 2.186 1.00 0.54 C ATOM 90 C THR A 7 -7.694 5.821 3.496 1.00 0.48 C ATOM 91 O THR A 7 -6.515 6.080 3.712 1.00 0.54 O ATOM 92 CB THR A 7 -8.728 4.918 1.426 1.00 0.62 C ATOM 93 OG1 THR A 7 -8.155 4.924 0.117 1.00 0.85 O ATOM 94 CG2 THR A 7 -10.238 4.732 1.323 1.00 0.83 C ATOM 0 H THR A 7 -6.875 6.599 0.737 1.00 0.50 H new ATOM 0 HA THR A 7 -9.259 6.782 2.324 1.00 0.54 H new ATOM 0 HB THR A 7 -8.332 4.081 2.002 1.00 0.62 H new ATOM 0 HG1 THR A 7 -8.507 4.168 -0.397 1.00 0.85 H new ATOM 0 HG21 THR A 7 -10.455 3.811 0.782 1.00 0.83 H new ATOM 0 HG22 THR A 7 -10.667 4.675 2.324 1.00 0.83 H new ATOM 0 HG23 THR A 7 -10.673 5.577 0.790 1.00 0.83 H new ATOM 102 N GLU A 8 -8.459 5.179 4.354 1.00 0.45 N ATOM 103 CA GLU A 8 -7.950 4.721 5.650 1.00 0.44 C ATOM 104 C GLU A 8 -6.522 4.165 5.558 1.00 0.41 C ATOM 105 O GLU A 8 -5.782 4.187 6.542 1.00 0.42 O ATOM 106 CB GLU A 8 -8.846 3.638 6.239 1.00 0.50 C ATOM 107 CG GLU A 8 -10.319 4.003 6.300 1.00 0.52 C ATOM 108 CD GLU A 8 -10.570 5.275 7.086 1.00 1.09 C ATOM 109 OE1 GLU A 8 -10.754 5.185 8.318 1.00 1.94 O ATOM 110 OE2 GLU A 8 -10.581 6.361 6.469 1.00 1.67 O ATOM 0 H GLU A 8 -9.440 4.957 4.186 1.00 0.45 H new ATOM 0 HA GLU A 8 -7.944 5.600 6.295 1.00 0.44 H new ATOM 0 HB2 GLU A 8 -8.734 2.730 5.647 1.00 0.50 H new ATOM 0 HB3 GLU A 8 -8.500 3.406 7.246 1.00 0.50 H new ATOM 0 HG2 GLU A 8 -10.702 4.124 5.287 1.00 0.52 H new ATOM 0 HG3 GLU A 8 -10.875 3.183 6.755 1.00 0.52 H new ATOM 117 N LEU A 9 -6.132 3.668 4.381 1.00 0.41 N ATOM 118 CA LEU A 9 -4.804 3.094 4.208 1.00 0.40 C ATOM 119 C LEU A 9 -3.718 4.121 4.500 1.00 0.38 C ATOM 120 O LEU A 9 -2.597 3.759 4.855 1.00 0.39 O ATOM 121 CB LEU A 9 -4.614 2.589 2.783 1.00 0.45 C ATOM 122 CG LEU A 9 -5.871 2.162 2.041 1.00 0.57 C ATOM 123 CD1 LEU A 9 -6.307 3.283 1.128 1.00 0.93 C ATOM 124 CD2 LEU A 9 -5.639 0.895 1.245 1.00 0.92 C ATOM 0 H LEU A 9 -6.714 3.653 3.544 1.00 0.41 H new ATOM 0 HA LEU A 9 -4.721 2.265 4.911 1.00 0.40 H new ATOM 0 HB2 LEU A 9 -4.127 3.374 2.205 1.00 0.45 H new ATOM 0 HB3 LEU A 9 -3.929 1.741 2.810 1.00 0.45 H new ATOM 0 HG LEU A 9 -6.654 1.951 2.769 1.00 0.57 H new ATOM 0 HD11 LEU A 9 -7.208 2.986 0.592 1.00 0.93 H new ATOM 0 HD12 LEU A 9 -6.515 4.174 1.720 1.00 0.93 H new ATOM 0 HD13 LEU A 9 -5.514 3.499 0.413 1.00 0.93 H new ATOM 0 HD21 LEU A 9 -6.557 0.618 0.727 1.00 0.92 H new ATOM 0 HD22 LEU A 9 -4.847 1.064 0.515 1.00 0.92 H new ATOM 0 HD23 LEU A 9 -5.345 0.090 1.919 1.00 0.92 H new ATOM 136 N GLU A 10 -4.044 5.402 4.349 1.00 0.38 N ATOM 137 CA GLU A 10 -3.072 6.453 4.623 1.00 0.39 C ATOM 138 C GLU A 10 -2.549 6.279 6.039 1.00 0.38 C ATOM 139 O GLU A 10 -1.408 6.612 6.342 1.00 0.40 O ATOM 140 CB GLU A 10 -3.696 7.832 4.450 1.00 0.46 C ATOM 141 CG GLU A 10 -5.109 7.923 4.983 1.00 0.45 C ATOM 142 CD GLU A 10 -5.282 9.042 5.990 1.00 0.56 C ATOM 143 OE1 GLU A 10 -5.571 10.181 5.567 1.00 1.16 O ATOM 144 OE2 GLU A 10 -5.129 8.780 7.201 1.00 1.27 O ATOM 0 H GLU A 10 -4.959 5.733 4.043 1.00 0.38 H new ATOM 0 HA GLU A 10 -2.248 6.375 3.914 1.00 0.39 H new ATOM 0 HB2 GLU A 10 -3.075 8.570 4.959 1.00 0.46 H new ATOM 0 HB3 GLU A 10 -3.697 8.092 3.391 1.00 0.46 H new ATOM 0 HG2 GLU A 10 -5.797 8.078 4.152 1.00 0.45 H new ATOM 0 HG3 GLU A 10 -5.379 6.975 5.449 1.00 0.45 H new ATOM 151 N ALA A 11 -3.410 5.759 6.907 1.00 0.39 N ATOM 152 CA ALA A 11 -3.026 5.480 8.279 1.00 0.39 C ATOM 153 C ALA A 11 -2.047 4.324 8.269 1.00 0.36 C ATOM 154 O ALA A 11 -1.118 4.260 9.072 1.00 0.39 O ATOM 155 CB ALA A 11 -4.243 5.146 9.128 1.00 0.42 C ATOM 0 H ALA A 11 -4.377 5.524 6.682 1.00 0.39 H new ATOM 0 HA ALA A 11 -2.559 6.362 8.718 1.00 0.39 H new ATOM 0 HB1 ALA A 11 -3.928 4.941 10.151 1.00 0.42 H new ATOM 0 HB2 ALA A 11 -4.933 5.990 9.123 1.00 0.42 H new ATOM 0 HB3 ALA A 11 -4.742 4.267 8.719 1.00 0.42 H new ATOM 161 N ALA A 12 -2.279 3.406 7.336 1.00 0.33 N ATOM 162 CA ALA A 12 -1.414 2.258 7.163 1.00 0.33 C ATOM 163 C ALA A 12 -0.065 2.723 6.643 1.00 0.33 C ATOM 164 O ALA A 12 0.960 2.086 6.886 1.00 0.34 O ATOM 165 CB ALA A 12 -2.039 1.253 6.208 1.00 0.34 C ATOM 0 H ALA A 12 -3.065 3.441 6.687 1.00 0.33 H new ATOM 0 HA ALA A 12 -1.278 1.763 8.124 1.00 0.33 H new ATOM 0 HB1 ALA A 12 -1.373 0.398 6.092 1.00 0.34 H new ATOM 0 HB2 ALA A 12 -2.995 0.916 6.609 1.00 0.34 H new ATOM 0 HB3 ALA A 12 -2.198 1.723 5.238 1.00 0.34 H new ATOM 171 N ILE A 13 -0.071 3.847 5.919 1.00 0.36 N ATOM 172 CA ILE A 13 1.164 4.402 5.392 1.00 0.40 C ATOM 173 C ILE A 13 2.166 4.583 6.541 1.00 0.39 C ATOM 174 O ILE A 13 3.380 4.543 6.344 1.00 0.42 O ATOM 175 CB ILE A 13 0.925 5.744 4.631 1.00 0.47 C ATOM 176 CG1 ILE A 13 1.867 5.840 3.425 1.00 0.90 C ATOM 177 CG2 ILE A 13 1.094 6.971 5.530 1.00 0.99 C ATOM 178 CD1 ILE A 13 3.317 6.056 3.800 1.00 2.05 C ATOM 0 H ILE A 13 -0.910 4.380 5.691 1.00 0.36 H new ATOM 0 HA ILE A 13 1.574 3.705 4.662 1.00 0.40 H new ATOM 0 HB ILE A 13 -0.111 5.738 4.291 1.00 0.47 H new ATOM 0 HG12 ILE A 13 1.785 4.925 2.838 1.00 0.90 H new ATOM 0 HG13 ILE A 13 1.541 6.660 2.785 1.00 0.90 H new ATOM 0 HG21 ILE A 13 0.916 7.876 4.948 1.00 0.99 H new ATOM 0 HG22 ILE A 13 0.379 6.921 6.351 1.00 0.99 H new ATOM 0 HG23 ILE A 13 2.107 6.991 5.931 1.00 0.99 H new ATOM 0 HD11 ILE A 13 3.922 6.114 2.895 1.00 2.05 H new ATOM 0 HD12 ILE A 13 3.413 6.986 4.361 1.00 2.05 H new ATOM 0 HD13 ILE A 13 3.662 5.224 4.415 1.00 2.05 H new ATOM 190 N GLU A 14 1.618 4.775 7.748 1.00 0.39 N ATOM 191 CA GLU A 14 2.414 4.966 8.956 1.00 0.42 C ATOM 192 C GLU A 14 3.241 3.728 9.289 1.00 0.38 C ATOM 193 O GLU A 14 4.406 3.837 9.673 1.00 0.46 O ATOM 194 CB GLU A 14 1.500 5.308 10.134 1.00 0.46 C ATOM 195 CG GLU A 14 0.736 6.608 9.953 1.00 0.79 C ATOM 196 CD GLU A 14 -0.169 6.922 11.128 1.00 1.46 C ATOM 197 OE1 GLU A 14 -1.304 6.402 11.157 1.00 2.25 O ATOM 198 OE2 GLU A 14 0.258 7.687 12.019 1.00 2.02 O ATOM 0 H GLU A 14 0.611 4.801 7.909 1.00 0.39 H new ATOM 0 HA GLU A 14 3.103 5.790 8.772 1.00 0.42 H new ATOM 0 HB2 GLU A 14 0.788 4.495 10.279 1.00 0.46 H new ATOM 0 HB3 GLU A 14 2.100 5.372 11.042 1.00 0.46 H new ATOM 0 HG2 GLU A 14 1.444 7.425 9.816 1.00 0.79 H new ATOM 0 HG3 GLU A 14 0.138 6.550 9.044 1.00 0.79 H new ATOM 205 N THR A 15 2.640 2.548 9.156 1.00 0.30 N ATOM 206 CA THR A 15 3.356 1.309 9.447 1.00 0.28 C ATOM 207 C THR A 15 4.482 1.111 8.450 1.00 0.29 C ATOM 208 O THR A 15 5.645 0.945 8.813 1.00 0.35 O ATOM 209 CB THR A 15 2.435 0.079 9.367 1.00 0.28 C ATOM 210 OG1 THR A 15 1.224 0.316 10.094 1.00 0.29 O ATOM 211 CG2 THR A 15 3.133 -1.154 9.924 1.00 0.32 C ATOM 0 H THR A 15 1.674 2.424 8.853 1.00 0.30 H new ATOM 0 HA THR A 15 3.743 1.400 10.462 1.00 0.28 H new ATOM 0 HB THR A 15 2.195 -0.097 8.318 1.00 0.28 H new ATOM 0 HG1 THR A 15 0.977 -0.492 10.590 1.00 0.29 H new ATOM 0 HG21 THR A 15 2.464 -2.012 9.858 1.00 0.32 H new ATOM 0 HG22 THR A 15 4.036 -1.353 9.347 1.00 0.32 H new ATOM 0 HG23 THR A 15 3.399 -0.981 10.967 1.00 0.32 H new ATOM 219 N VAL A 16 4.102 1.140 7.187 1.00 0.27 N ATOM 220 CA VAL A 16 5.024 0.954 6.086 1.00 0.28 C ATOM 221 C VAL A 16 6.071 2.062 6.007 1.00 0.30 C ATOM 222 O VAL A 16 7.203 1.823 5.588 1.00 0.36 O ATOM 223 CB VAL A 16 4.246 0.904 4.766 1.00 0.30 C ATOM 224 CG1 VAL A 16 3.456 2.186 4.567 1.00 0.33 C ATOM 225 CG2 VAL A 16 5.191 0.666 3.608 1.00 0.33 C ATOM 0 H VAL A 16 3.137 1.295 6.895 1.00 0.27 H new ATOM 0 HA VAL A 16 5.548 0.014 6.260 1.00 0.28 H new ATOM 0 HB VAL A 16 3.540 0.074 4.806 1.00 0.30 H new ATOM 0 HG11 VAL A 16 2.909 2.134 3.625 1.00 0.33 H new ATOM 0 HG12 VAL A 16 2.751 2.310 5.389 1.00 0.33 H new ATOM 0 HG13 VAL A 16 4.140 3.035 4.543 1.00 0.33 H new ATOM 0 HG21 VAL A 16 4.625 0.633 2.677 1.00 0.33 H new ATOM 0 HG22 VAL A 16 5.920 1.475 3.561 1.00 0.33 H new ATOM 0 HG23 VAL A 16 5.710 -0.282 3.751 1.00 0.33 H new ATOM 235 N VAL A 17 5.698 3.270 6.409 1.00 0.31 N ATOM 236 CA VAL A 17 6.619 4.396 6.346 1.00 0.33 C ATOM 237 C VAL A 17 7.591 4.411 7.526 1.00 0.30 C ATOM 238 O VAL A 17 8.763 4.754 7.373 1.00 0.32 O ATOM 239 CB VAL A 17 5.872 5.744 6.289 1.00 0.43 C ATOM 240 CG1 VAL A 17 5.191 6.043 7.614 1.00 0.45 C ATOM 241 CG2 VAL A 17 6.826 6.867 5.909 1.00 0.50 C ATOM 0 H VAL A 17 4.774 3.494 6.778 1.00 0.31 H new ATOM 0 HA VAL A 17 7.188 4.265 5.426 1.00 0.33 H new ATOM 0 HB VAL A 17 5.101 5.673 5.522 1.00 0.43 H new ATOM 0 HG11 VAL A 17 4.671 6.999 7.548 1.00 0.45 H new ATOM 0 HG12 VAL A 17 4.473 5.254 7.840 1.00 0.45 H new ATOM 0 HG13 VAL A 17 5.939 6.091 8.405 1.00 0.45 H new ATOM 0 HG21 VAL A 17 6.282 7.811 5.874 1.00 0.50 H new ATOM 0 HG22 VAL A 17 7.622 6.935 6.651 1.00 0.50 H new ATOM 0 HG23 VAL A 17 7.259 6.661 4.930 1.00 0.50 H new ATOM 251 N SER A 18 7.099 4.044 8.703 1.00 0.33 N ATOM 252 CA SER A 18 7.925 4.042 9.907 1.00 0.40 C ATOM 253 C SER A 18 8.801 2.794 10.008 1.00 0.44 C ATOM 254 O SER A 18 9.768 2.767 10.765 1.00 0.59 O ATOM 255 CB SER A 18 7.043 4.158 11.151 1.00 0.51 C ATOM 256 OG SER A 18 6.274 5.349 11.123 1.00 1.32 O ATOM 0 H SER A 18 6.135 3.745 8.851 1.00 0.33 H new ATOM 0 HA SER A 18 8.589 4.904 9.843 1.00 0.40 H new ATOM 0 HB2 SER A 18 6.380 3.295 11.212 1.00 0.51 H new ATOM 0 HB3 SER A 18 7.666 4.145 12.045 1.00 0.51 H new ATOM 0 HG SER A 18 5.433 5.184 10.649 1.00 1.32 H new ATOM 262 N THR A 19 8.444 1.749 9.290 1.00 0.37 N ATOM 263 CA THR A 19 9.227 0.521 9.323 1.00 0.44 C ATOM 264 C THR A 19 10.405 0.519 8.346 1.00 0.46 C ATOM 265 O THR A 19 11.555 0.736 8.724 1.00 0.54 O ATOM 266 CB THR A 19 8.351 -0.720 9.053 1.00 0.45 C ATOM 267 OG1 THR A 19 7.729 -0.623 7.763 1.00 0.42 O ATOM 268 CG2 THR A 19 7.288 -0.877 10.130 1.00 0.49 C ATOM 0 H THR A 19 7.626 1.720 8.681 1.00 0.37 H new ATOM 0 HA THR A 19 9.633 0.476 10.334 1.00 0.44 H new ATOM 0 HB THR A 19 8.996 -1.599 9.071 1.00 0.45 H new ATOM 0 HG1 THR A 19 6.937 -0.049 7.824 1.00 0.42 H new ATOM 0 HG21 THR A 19 6.683 -1.759 9.918 1.00 0.49 H new ATOM 0 HG22 THR A 19 7.769 -0.992 11.102 1.00 0.49 H new ATOM 0 HG23 THR A 19 6.650 0.007 10.143 1.00 0.49 H new ATOM 276 N PHE A 20 10.080 0.271 7.088 1.00 0.45 N ATOM 277 CA PHE A 20 11.051 0.141 6.010 1.00 0.54 C ATOM 278 C PHE A 20 11.475 1.474 5.430 1.00 0.52 C ATOM 279 O PHE A 20 12.647 1.679 5.116 1.00 0.64 O ATOM 280 CB PHE A 20 10.443 -0.750 4.923 1.00 0.60 C ATOM 281 CG PHE A 20 11.201 -0.772 3.636 1.00 0.72 C ATOM 282 CD1 PHE A 20 12.583 -0.775 3.634 1.00 1.60 C ATOM 283 CD2 PHE A 20 10.525 -0.783 2.427 1.00 1.26 C ATOM 284 CE1 PHE A 20 13.280 -0.789 2.448 1.00 1.77 C ATOM 285 CE2 PHE A 20 11.217 -0.794 1.239 1.00 1.37 C ATOM 286 CZ PHE A 20 12.595 -0.796 1.249 1.00 1.18 C ATOM 0 H PHE A 20 9.115 0.152 6.780 1.00 0.45 H new ATOM 0 HA PHE A 20 11.957 -0.307 6.418 1.00 0.54 H new ATOM 0 HB2 PHE A 20 10.373 -1.769 5.305 1.00 0.60 H new ATOM 0 HB3 PHE A 20 9.426 -0.413 4.724 1.00 0.60 H new ATOM 0 HD1 PHE A 20 13.120 -0.766 4.571 1.00 1.60 H new ATOM 0 HD2 PHE A 20 9.445 -0.783 2.417 1.00 1.26 H new ATOM 0 HE1 PHE A 20 14.360 -0.795 2.455 1.00 1.77 H new ATOM 0 HE2 PHE A 20 10.682 -0.801 0.301 1.00 1.37 H new ATOM 0 HZ PHE A 20 13.141 -0.803 0.317 1.00 1.18 H new ATOM 296 N PHE A 21 10.527 2.377 5.291 1.00 0.44 N ATOM 297 CA PHE A 21 10.821 3.666 4.710 1.00 0.47 C ATOM 298 C PHE A 21 11.668 4.522 5.638 1.00 0.49 C ATOM 299 O PHE A 21 12.071 5.623 5.272 1.00 0.62 O ATOM 300 CB PHE A 21 9.536 4.395 4.325 1.00 0.48 C ATOM 301 CG PHE A 21 8.651 3.620 3.367 1.00 0.45 C ATOM 302 CD1 PHE A 21 9.067 2.404 2.827 1.00 1.39 C ATOM 303 CD2 PHE A 21 7.396 4.105 3.013 1.00 1.16 C ATOM 304 CE1 PHE A 21 8.247 1.699 1.963 1.00 1.44 C ATOM 305 CE2 PHE A 21 6.580 3.398 2.149 1.00 1.13 C ATOM 306 CZ PHE A 21 7.003 2.199 1.628 1.00 0.54 C ATOM 0 H PHE A 21 9.555 2.243 5.570 1.00 0.44 H new ATOM 0 HA PHE A 21 11.402 3.490 3.805 1.00 0.47 H new ATOM 0 HB2 PHE A 21 8.970 4.614 5.230 1.00 0.48 H new ATOM 0 HB3 PHE A 21 9.795 5.352 3.871 1.00 0.48 H new ATOM 0 HD1 PHE A 21 10.038 2.008 3.085 1.00 1.39 H new ATOM 0 HD2 PHE A 21 7.055 5.046 3.418 1.00 1.16 H new ATOM 0 HE1 PHE A 21 8.579 0.758 1.551 1.00 1.44 H new ATOM 0 HE2 PHE A 21 5.609 3.789 1.883 1.00 1.13 H new ATOM 0 HZ PHE A 21 6.363 1.647 0.956 1.00 0.54 H new ATOM 316 N THR A 22 11.934 4.037 6.835 1.00 0.47 N ATOM 317 CA THR A 22 12.788 4.795 7.749 1.00 0.54 C ATOM 318 C THR A 22 14.280 4.590 7.497 1.00 0.49 C ATOM 319 O THR A 22 15.102 5.163 8.212 1.00 0.54 O ATOM 320 CB THR A 22 12.512 4.455 9.202 1.00 0.66 C ATOM 321 OG1 THR A 22 12.836 3.091 9.425 1.00 0.66 O ATOM 322 CG2 THR A 22 11.068 4.751 9.543 1.00 0.81 C ATOM 0 H THR A 22 11.587 3.149 7.197 1.00 0.47 H new ATOM 0 HA THR A 22 12.537 5.837 7.550 1.00 0.54 H new ATOM 0 HB THR A 22 13.131 5.070 9.856 1.00 0.66 H new ATOM 0 HG1 THR A 22 12.135 2.522 9.045 1.00 0.66 H new ATOM 0 HG21 THR A 22 10.883 4.503 10.588 1.00 0.81 H new ATOM 0 HG22 THR A 22 10.865 5.809 9.380 1.00 0.81 H new ATOM 0 HG23 THR A 22 10.414 4.154 8.907 1.00 0.81 H new ATOM 330 N PHE A 23 14.655 3.787 6.499 1.00 0.49 N ATOM 331 CA PHE A 23 16.085 3.549 6.269 1.00 0.51 C ATOM 332 C PHE A 23 16.799 4.723 5.571 1.00 0.44 C ATOM 333 O PHE A 23 17.971 4.627 5.225 1.00 0.45 O ATOM 334 CB PHE A 23 16.342 2.166 5.616 1.00 0.68 C ATOM 335 CG PHE A 23 16.393 2.093 4.112 1.00 0.61 C ATOM 336 CD1 PHE A 23 17.475 2.600 3.403 1.00 1.47 C ATOM 337 CD2 PHE A 23 15.369 1.483 3.406 1.00 1.46 C ATOM 338 CE1 PHE A 23 17.526 2.510 2.033 1.00 1.88 C ATOM 339 CE2 PHE A 23 15.421 1.392 2.033 1.00 1.93 C ATOM 340 CZ PHE A 23 16.498 1.909 1.350 1.00 1.82 C ATOM 0 H PHE A 23 14.021 3.307 5.860 1.00 0.49 H new ATOM 0 HA PHE A 23 16.557 3.505 7.250 1.00 0.51 H new ATOM 0 HB2 PHE A 23 17.288 1.785 6.001 1.00 0.68 H new ATOM 0 HB3 PHE A 23 15.562 1.485 5.957 1.00 0.68 H new ATOM 0 HD1 PHE A 23 18.287 3.071 3.936 1.00 1.47 H new ATOM 0 HD2 PHE A 23 14.522 1.075 3.937 1.00 1.46 H new ATOM 0 HE1 PHE A 23 18.372 2.911 1.495 1.00 1.88 H new ATOM 0 HE2 PHE A 23 14.617 0.915 1.492 1.00 1.93 H new ATOM 0 HZ PHE A 23 16.535 1.842 0.273 1.00 1.82 H new ATOM 350 N ALA A 24 16.112 5.860 5.430 1.00 0.50 N ATOM 351 CA ALA A 24 16.724 7.058 4.843 1.00 0.58 C ATOM 352 C ALA A 24 17.848 7.530 5.727 1.00 0.60 C ATOM 353 O ALA A 24 18.758 8.226 5.278 1.00 0.65 O ATOM 354 CB ALA A 24 15.713 8.179 4.676 1.00 0.71 C ATOM 0 H ALA A 24 15.139 5.977 5.712 1.00 0.50 H new ATOM 0 HA ALA A 24 17.102 6.793 3.856 1.00 0.58 H new ATOM 0 HB1 ALA A 24 16.203 9.049 4.239 1.00 0.71 H new ATOM 0 HB2 ALA A 24 14.908 7.848 4.020 1.00 0.71 H new ATOM 0 HB3 ALA A 24 15.301 8.446 5.649 1.00 0.71 H new ATOM 360 N GLY A 25 17.780 7.148 7.005 1.00 0.68 N ATOM 361 CA GLY A 25 18.819 7.512 7.940 1.00 0.81 C ATOM 362 C GLY A 25 20.198 7.309 7.326 1.00 0.71 C ATOM 363 O GLY A 25 21.164 7.984 7.681 1.00 0.80 O ATOM 0 H GLY A 25 17.021 6.594 7.402 1.00 0.68 H new ATOM 0 HA2 GLY A 25 18.698 8.554 8.236 1.00 0.81 H new ATOM 0 HA3 GLY A 25 18.727 6.911 8.844 1.00 0.81 H new ATOM 367 N ARG A 26 20.259 6.363 6.390 1.00 0.60 N ATOM 368 CA ARG A 26 21.471 6.065 5.648 1.00 0.59 C ATOM 369 C ARG A 26 22.015 7.333 5.004 1.00 0.57 C ATOM 370 O ARG A 26 23.196 7.653 5.128 1.00 0.71 O ATOM 371 CB ARG A 26 21.155 5.033 4.562 1.00 0.61 C ATOM 372 CG ARG A 26 22.318 4.749 3.625 1.00 1.17 C ATOM 373 CD ARG A 26 23.210 3.647 4.171 1.00 0.97 C ATOM 374 NE ARG A 26 23.989 4.094 5.323 1.00 1.55 N ATOM 375 CZ ARG A 26 24.819 3.308 5.999 1.00 1.95 C ATOM 376 NH1 ARG A 26 24.969 2.039 5.647 1.00 2.01 N ATOM 377 NH2 ARG A 26 25.498 3.790 7.031 1.00 2.82 N ATOM 0 H ARG A 26 19.462 5.782 6.128 1.00 0.60 H new ATOM 0 HA ARG A 26 22.222 5.665 6.330 1.00 0.59 H new ATOM 0 HB2 ARG A 26 20.849 4.101 5.038 1.00 0.61 H new ATOM 0 HB3 ARG A 26 20.306 5.385 3.976 1.00 0.61 H new ATOM 0 HG2 ARG A 26 21.937 4.459 2.646 1.00 1.17 H new ATOM 0 HG3 ARG A 26 22.904 5.657 3.483 1.00 1.17 H new ATOM 0 HD2 ARG A 26 22.597 2.793 4.458 1.00 0.97 H new ATOM 0 HD3 ARG A 26 23.886 3.306 3.387 1.00 0.97 H new ATOM 0 HE ARG A 26 23.890 5.063 5.625 1.00 1.55 H new ATOM 0 HH11 ARG A 26 24.446 1.664 4.855 1.00 2.01 H new ATOM 0 HH12 ARG A 26 25.607 1.437 6.168 1.00 2.01 H new ATOM 0 HH21 ARG A 26 25.383 4.765 7.306 1.00 2.82 H new ATOM 0 HH22 ARG A 26 26.135 3.185 7.549 1.00 2.82 H new ATOM 391 N GLU A 27 21.133 8.051 4.313 1.00 0.50 N ATOM 392 CA GLU A 27 21.507 9.287 3.643 1.00 0.58 C ATOM 393 C GLU A 27 21.366 10.476 4.590 1.00 0.80 C ATOM 394 O GLU A 27 20.624 10.419 5.570 1.00 1.27 O ATOM 395 CB GLU A 27 20.641 9.498 2.398 1.00 0.98 C ATOM 396 CG GLU A 27 20.731 8.358 1.394 1.00 0.85 C ATOM 397 CD GLU A 27 22.143 8.137 0.888 1.00 1.09 C ATOM 398 OE1 GLU A 27 22.530 8.796 -0.101 1.00 1.63 O ATOM 399 OE2 GLU A 27 22.863 7.304 1.478 1.00 1.78 O ATOM 0 H GLU A 27 20.152 7.794 4.204 1.00 0.50 H new ATOM 0 HA GLU A 27 22.551 9.211 3.338 1.00 0.58 H new ATOM 0 HB2 GLU A 27 19.602 9.620 2.705 1.00 0.98 H new ATOM 0 HB3 GLU A 27 20.941 10.426 1.910 1.00 0.98 H new ATOM 0 HG2 GLU A 27 20.367 7.441 1.858 1.00 0.85 H new ATOM 0 HG3 GLU A 27 20.075 8.570 0.549 1.00 0.85 H new ATOM 406 N GLY A 28 22.085 11.549 4.288 1.00 1.33 N ATOM 407 CA GLY A 28 22.048 12.738 5.123 1.00 1.88 C ATOM 408 C GLY A 28 20.677 13.375 5.216 1.00 1.36 C ATOM 409 O GLY A 28 19.899 13.062 6.117 1.00 1.58 O ATOM 0 H GLY A 28 22.697 11.619 3.475 1.00 1.33 H new ATOM 0 HA2 GLY A 28 22.386 12.477 6.126 1.00 1.88 H new ATOM 0 HA3 GLY A 28 22.753 13.470 4.729 1.00 1.88 H new ATOM 413 N ARG A 29 20.386 14.274 4.279 1.00 1.16 N ATOM 414 CA ARG A 29 19.111 14.990 4.258 1.00 1.06 C ATOM 415 C ARG A 29 17.934 14.083 4.615 1.00 1.13 C ATOM 416 O ARG A 29 18.040 12.857 4.577 1.00 1.73 O ATOM 417 CB ARG A 29 18.880 15.623 2.879 1.00 1.38 C ATOM 418 CG ARG A 29 17.494 16.232 2.706 1.00 1.78 C ATOM 419 CD ARG A 29 17.327 16.878 1.340 1.00 2.37 C ATOM 420 NE ARG A 29 18.115 18.100 1.210 1.00 2.89 N ATOM 421 CZ ARG A 29 18.155 18.836 0.106 1.00 3.59 C ATOM 422 NH1 ARG A 29 17.461 18.469 -0.963 1.00 3.91 N ATOM 423 NH2 ARG A 29 18.889 19.940 0.067 1.00 4.31 N ATOM 0 H ARG A 29 21.019 14.526 3.520 1.00 1.16 H new ATOM 0 HA ARG A 29 19.168 15.771 5.016 1.00 1.06 H new ATOM 0 HB2 ARG A 29 19.630 16.397 2.715 1.00 1.38 H new ATOM 0 HB3 ARG A 29 19.032 14.864 2.111 1.00 1.38 H new ATOM 0 HG2 ARG A 29 16.738 15.458 2.837 1.00 1.78 H new ATOM 0 HG3 ARG A 29 17.325 16.977 3.483 1.00 1.78 H new ATOM 0 HD2 ARG A 29 17.625 16.171 0.566 1.00 2.37 H new ATOM 0 HD3 ARG A 29 16.274 17.107 1.174 1.00 2.37 H new ATOM 0 HE ARG A 29 18.666 18.405 2.012 1.00 2.89 H new ATOM 0 HH11 ARG A 29 16.896 17.620 -0.937 1.00 3.91 H new ATOM 0 HH12 ARG A 29 17.493 19.035 -1.811 1.00 3.91 H new ATOM 0 HH21 ARG A 29 19.425 20.225 0.887 1.00 4.31 H new ATOM 0 HH22 ARG A 29 18.918 20.504 -0.783 1.00 4.31 H new ATOM 437 N LYS A 30 16.809 14.706 4.955 1.00 1.04 N ATOM 438 CA LYS A 30 15.601 13.973 5.305 1.00 1.47 C ATOM 439 C LYS A 30 14.673 13.914 4.103 1.00 1.32 C ATOM 440 O LYS A 30 13.517 14.336 4.165 1.00 1.64 O ATOM 441 CB LYS A 30 14.886 14.644 6.478 1.00 2.03 C ATOM 442 CG LYS A 30 15.790 14.917 7.668 1.00 2.65 C ATOM 443 CD LYS A 30 15.029 15.594 8.797 1.00 3.51 C ATOM 444 CE LYS A 30 13.850 14.751 9.257 1.00 4.01 C ATOM 445 NZ LYS A 30 13.108 15.397 10.374 1.00 4.77 N ATOM 0 H LYS A 30 16.711 15.721 4.995 1.00 1.04 H new ATOM 0 HA LYS A 30 15.879 12.961 5.601 1.00 1.47 H new ATOM 0 HB2 LYS A 30 14.453 15.585 6.138 1.00 2.03 H new ATOM 0 HB3 LYS A 30 14.059 14.010 6.799 1.00 2.03 H new ATOM 0 HG2 LYS A 30 16.217 13.980 8.025 1.00 2.65 H new ATOM 0 HG3 LYS A 30 16.622 15.549 7.358 1.00 2.65 H new ATOM 0 HD2 LYS A 30 15.702 15.770 9.637 1.00 3.51 H new ATOM 0 HD3 LYS A 30 14.673 16.569 8.464 1.00 3.51 H new ATOM 0 HE2 LYS A 30 13.173 14.586 8.419 1.00 4.01 H new ATOM 0 HE3 LYS A 30 14.207 13.772 9.576 1.00 4.01 H new ATOM 0 HZ1 LYS A 30 12.312 14.791 10.658 1.00 4.77 H new ATOM 0 HZ2 LYS A 30 13.747 15.532 11.183 1.00 4.77 H new ATOM 0 HZ3 LYS A 30 12.746 16.320 10.062 1.00 4.77 H new ATOM 459 N GLY A 31 15.196 13.382 3.008 1.00 0.95 N ATOM 460 CA GLY A 31 14.420 13.270 1.785 1.00 0.88 C ATOM 461 C GLY A 31 13.948 11.870 1.570 1.00 0.80 C ATOM 462 O GLY A 31 12.800 11.559 1.847 1.00 0.85 O ATOM 0 H GLY A 31 16.149 13.024 2.942 1.00 0.95 H new ATOM 0 HA2 GLY A 31 13.563 13.942 1.832 1.00 0.88 H new ATOM 0 HA3 GLY A 31 15.027 13.586 0.936 1.00 0.88 H new ATOM 466 N SER A 32 14.825 11.025 1.063 1.00 0.74 N ATOM 467 CA SER A 32 14.470 9.645 0.826 1.00 0.71 C ATOM 468 C SER A 32 15.603 8.705 1.125 1.00 0.70 C ATOM 469 O SER A 32 16.749 9.105 1.333 1.00 0.74 O ATOM 470 CB SER A 32 14.067 9.433 -0.624 1.00 0.68 C ATOM 471 OG SER A 32 13.993 8.056 -0.947 1.00 1.10 O ATOM 0 H SER A 32 15.782 11.271 0.810 1.00 0.74 H new ATOM 0 HA SER A 32 13.637 9.430 1.496 1.00 0.71 H new ATOM 0 HB2 SER A 32 13.101 9.903 -0.806 1.00 0.68 H new ATOM 0 HB3 SER A 32 14.788 9.923 -1.278 1.00 0.68 H new ATOM 0 HG SER A 32 13.357 7.613 -0.347 1.00 1.10 H new ATOM 477 N LEU A 33 15.247 7.445 1.141 1.00 0.72 N ATOM 478 CA LEU A 33 16.190 6.389 1.315 1.00 0.74 C ATOM 479 C LEU A 33 16.400 5.820 -0.057 1.00 0.56 C ATOM 480 O LEU A 33 15.543 5.961 -0.925 1.00 0.52 O ATOM 481 CB LEU A 33 15.735 5.299 2.278 1.00 0.99 C ATOM 482 CG LEU A 33 14.262 5.244 2.592 1.00 1.19 C ATOM 483 CD1 LEU A 33 13.988 4.012 3.408 1.00 1.93 C ATOM 484 CD2 LEU A 33 13.744 6.446 3.353 1.00 1.69 C ATOM 0 H LEU A 33 14.283 7.129 1.032 1.00 0.72 H new ATOM 0 HA LEU A 33 17.101 6.783 1.765 1.00 0.74 H new ATOM 0 HB2 LEU A 33 16.031 4.335 1.865 1.00 0.99 H new ATOM 0 HB3 LEU A 33 16.278 5.424 3.215 1.00 0.99 H new ATOM 0 HG LEU A 33 13.743 5.232 1.633 1.00 1.19 H new ATOM 0 HD11 LEU A 33 12.925 3.960 3.642 1.00 1.93 H new ATOM 0 HD12 LEU A 33 14.278 3.128 2.841 1.00 1.93 H new ATOM 0 HD13 LEU A 33 14.562 4.054 4.334 1.00 1.93 H new ATOM 0 HD21 LEU A 33 12.676 6.327 3.538 1.00 1.69 H new ATOM 0 HD22 LEU A 33 14.270 6.529 4.304 1.00 1.69 H new ATOM 0 HD23 LEU A 33 13.912 7.349 2.765 1.00 1.69 H new ATOM 496 N ASN A 34 17.522 5.209 -0.268 1.00 0.57 N ATOM 497 CA ASN A 34 17.846 4.696 -1.574 1.00 0.47 C ATOM 498 C ASN A 34 17.834 3.178 -1.596 1.00 0.41 C ATOM 499 O ASN A 34 16.768 2.577 -1.661 1.00 0.56 O ATOM 500 CB ASN A 34 19.189 5.273 -2.017 1.00 0.56 C ATOM 501 CG ASN A 34 19.046 6.647 -2.645 1.00 1.37 C ATOM 502 OD1 ASN A 34 18.143 7.408 -2.301 1.00 2.12 O ATOM 503 ND2 ASN A 34 19.942 6.970 -3.571 1.00 2.11 N ATOM 0 H ASN A 34 18.235 5.050 0.444 1.00 0.57 H new ATOM 0 HA ASN A 34 17.082 5.010 -2.286 1.00 0.47 H new ATOM 0 HB2 ASN A 34 19.856 5.336 -1.157 1.00 0.56 H new ATOM 0 HB3 ASN A 34 19.655 4.595 -2.733 1.00 0.56 H new ATOM 0 HD21 ASN A 34 19.898 7.881 -4.028 1.00 2.11 H new ATOM 0 HD22 ASN A 34 20.674 6.307 -3.825 1.00 2.11 H new ATOM 510 N ILE A 35 18.997 2.549 -1.609 1.00 0.54 N ATOM 511 CA ILE A 35 19.043 1.109 -1.614 1.00 0.54 C ATOM 512 C ILE A 35 20.225 0.558 -0.842 1.00 0.56 C ATOM 513 O ILE A 35 20.730 -0.521 -1.143 1.00 0.63 O ATOM 514 CB ILE A 35 18.981 0.516 -3.033 1.00 0.60 C ATOM 515 CG1 ILE A 35 19.479 1.523 -4.079 1.00 0.70 C ATOM 516 CG2 ILE A 35 17.549 0.094 -3.338 1.00 0.66 C ATOM 517 CD1 ILE A 35 20.864 2.061 -3.796 1.00 1.05 C ATOM 0 H ILE A 35 19.906 3.011 -1.616 1.00 0.54 H new ATOM 0 HA ILE A 35 18.141 0.789 -1.093 1.00 0.54 H new ATOM 0 HB ILE A 35 19.636 -0.354 -3.079 1.00 0.60 H new ATOM 0 HG12 ILE A 35 19.478 1.046 -5.059 1.00 0.70 H new ATOM 0 HG13 ILE A 35 18.779 2.357 -4.130 1.00 0.70 H new ATOM 0 HG21 ILE A 35 17.500 -0.327 -4.342 1.00 0.66 H new ATOM 0 HG22 ILE A 35 17.229 -0.656 -2.614 1.00 0.66 H new ATOM 0 HG23 ILE A 35 16.893 0.962 -3.276 1.00 0.66 H new ATOM 0 HD11 ILE A 35 21.147 2.766 -4.578 1.00 1.05 H new ATOM 0 HD12 ILE A 35 20.867 2.568 -2.831 1.00 1.05 H new ATOM 0 HD13 ILE A 35 21.577 1.237 -3.775 1.00 1.05 H new ATOM 529 N ASN A 36 20.664 1.309 0.150 1.00 0.59 N ATOM 530 CA ASN A 36 21.763 0.887 0.994 1.00 0.63 C ATOM 531 C ASN A 36 21.233 -0.057 2.044 1.00 0.59 C ATOM 532 O ASN A 36 21.627 -1.220 2.112 1.00 0.59 O ATOM 533 CB ASN A 36 22.428 2.090 1.649 1.00 0.70 C ATOM 534 CG ASN A 36 22.941 3.093 0.635 1.00 1.33 C ATOM 535 OD1 ASN A 36 22.230 4.019 0.244 1.00 2.15 O ATOM 536 ND2 ASN A 36 24.184 2.912 0.200 1.00 1.89 N ATOM 0 H ASN A 36 20.273 2.220 0.391 1.00 0.59 H new ATOM 0 HA ASN A 36 22.513 0.379 0.388 1.00 0.63 H new ATOM 0 HB2 ASN A 36 21.714 2.580 2.311 1.00 0.70 H new ATOM 0 HB3 ASN A 36 23.257 1.750 2.270 1.00 0.70 H new ATOM 0 HD21 ASN A 36 24.583 3.554 -0.485 1.00 1.89 H new ATOM 0 HD22 ASN A 36 24.738 2.131 0.551 1.00 1.89 H new ATOM 543 N GLU A 37 20.337 0.448 2.875 1.00 0.57 N ATOM 544 CA GLU A 37 19.740 -0.391 3.882 1.00 0.56 C ATOM 545 C GLU A 37 18.692 -1.264 3.230 1.00 0.50 C ATOM 546 O GLU A 37 18.332 -2.297 3.774 1.00 0.52 O ATOM 547 CB GLU A 37 19.159 0.405 5.028 1.00 0.66 C ATOM 548 CG GLU A 37 20.026 1.580 5.417 1.00 0.75 C ATOM 549 CD GLU A 37 19.679 2.143 6.784 1.00 0.76 C ATOM 550 OE1 GLU A 37 20.256 1.668 7.784 1.00 1.40 O ATOM 551 OE2 GLU A 37 18.832 3.056 6.853 1.00 1.29 O ATOM 0 H GLU A 37 20.016 1.416 2.869 1.00 0.57 H new ATOM 0 HA GLU A 37 20.519 -1.016 4.319 1.00 0.56 H new ATOM 0 HB2 GLU A 37 18.168 0.765 4.750 1.00 0.66 H new ATOM 0 HB3 GLU A 37 19.030 -0.248 5.891 1.00 0.66 H new ATOM 0 HG2 GLU A 37 21.071 1.271 5.411 1.00 0.75 H new ATOM 0 HG3 GLU A 37 19.922 2.366 4.669 1.00 0.75 H new ATOM 558 N PHE A 38 18.181 -0.856 2.049 1.00 0.46 N ATOM 559 CA PHE A 38 17.247 -1.698 1.322 1.00 0.42 C ATOM 560 C PHE A 38 17.895 -3.073 1.225 1.00 0.45 C ATOM 561 O PHE A 38 17.230 -4.093 1.265 1.00 0.45 O ATOM 562 CB PHE A 38 16.984 -1.117 -0.082 1.00 0.43 C ATOM 563 CG PHE A 38 15.808 -1.706 -0.814 1.00 0.41 C ATOM 564 CD1 PHE A 38 15.673 -3.072 -0.989 1.00 1.30 C ATOM 565 CD2 PHE A 38 14.832 -0.876 -1.328 1.00 1.21 C ATOM 566 CE1 PHE A 38 14.582 -3.596 -1.659 1.00 1.32 C ATOM 567 CE2 PHE A 38 13.739 -1.390 -2.000 1.00 1.21 C ATOM 568 CZ PHE A 38 13.613 -2.753 -2.164 1.00 0.45 C ATOM 0 H PHE A 38 18.401 0.032 1.599 1.00 0.46 H new ATOM 0 HA PHE A 38 16.284 -1.756 1.830 1.00 0.42 H new ATOM 0 HB2 PHE A 38 16.831 -0.042 0.011 1.00 0.43 H new ATOM 0 HB3 PHE A 38 17.878 -1.261 -0.689 1.00 0.43 H new ATOM 0 HD1 PHE A 38 16.429 -3.737 -0.598 1.00 1.30 H new ATOM 0 HD2 PHE A 38 14.924 0.193 -1.203 1.00 1.21 H new ATOM 0 HE1 PHE A 38 14.489 -4.664 -1.787 1.00 1.32 H new ATOM 0 HE2 PHE A 38 12.985 -0.725 -2.396 1.00 1.21 H new ATOM 0 HZ PHE A 38 12.759 -3.160 -2.686 1.00 0.45 H new ATOM 578 N LYS A 39 19.238 -3.056 1.176 1.00 0.49 N ATOM 579 CA LYS A 39 20.035 -4.267 1.110 1.00 0.53 C ATOM 580 C LYS A 39 19.752 -5.187 2.273 1.00 0.53 C ATOM 581 O LYS A 39 20.073 -6.371 2.249 1.00 0.56 O ATOM 582 CB LYS A 39 21.513 -3.921 1.048 1.00 0.61 C ATOM 583 CG LYS A 39 21.817 -2.944 -0.053 1.00 0.67 C ATOM 584 CD LYS A 39 22.536 -3.609 -1.213 1.00 0.71 C ATOM 585 CE LYS A 39 23.908 -4.121 -0.804 1.00 1.47 C ATOM 586 NZ LYS A 39 24.657 -4.685 -1.960 1.00 1.80 N ATOM 0 H LYS A 39 19.789 -2.198 1.182 1.00 0.49 H new ATOM 0 HA LYS A 39 19.758 -4.799 0.200 1.00 0.53 H new ATOM 0 HB2 LYS A 39 21.827 -3.500 2.003 1.00 0.61 H new ATOM 0 HB3 LYS A 39 22.092 -4.831 0.895 1.00 0.61 H new ATOM 0 HG2 LYS A 39 20.889 -2.497 -0.409 1.00 0.67 H new ATOM 0 HG3 LYS A 39 22.431 -2.134 0.339 1.00 0.67 H new ATOM 0 HD2 LYS A 39 21.935 -4.438 -1.587 1.00 0.71 H new ATOM 0 HD3 LYS A 39 22.642 -2.897 -2.032 1.00 0.71 H new ATOM 0 HE2 LYS A 39 24.482 -3.307 -0.362 1.00 1.47 H new ATOM 0 HE3 LYS A 39 23.796 -4.886 -0.036 1.00 1.47 H new ATOM 0 HZ1 LYS A 39 25.587 -5.023 -1.640 1.00 1.80 H new ATOM 0 HZ2 LYS A 39 24.122 -5.478 -2.367 1.00 1.80 H new ATOM 0 HZ3 LYS A 39 24.787 -3.948 -2.682 1.00 1.80 H new ATOM 600 N GLU A 40 19.199 -4.608 3.301 1.00 0.52 N ATOM 601 CA GLU A 40 18.806 -5.348 4.487 1.00 0.56 C ATOM 602 C GLU A 40 17.445 -6.024 4.245 1.00 0.54 C ATOM 603 O GLU A 40 16.973 -6.804 5.072 1.00 0.60 O ATOM 604 CB GLU A 40 18.745 -4.407 5.704 1.00 0.60 C ATOM 605 CG GLU A 40 17.420 -3.675 5.854 1.00 1.09 C ATOM 606 CD GLU A 40 17.572 -2.309 6.495 1.00 1.91 C ATOM 607 OE1 GLU A 40 18.099 -2.238 7.625 1.00 2.43 O ATOM 608 OE2 GLU A 40 17.164 -1.310 5.866 1.00 2.62 O ATOM 0 H GLU A 40 19.004 -3.608 3.349 1.00 0.52 H new ATOM 0 HA GLU A 40 19.547 -6.120 4.695 1.00 0.56 H new ATOM 0 HB2 GLU A 40 18.933 -4.986 6.608 1.00 0.60 H new ATOM 0 HB3 GLU A 40 19.547 -3.673 5.623 1.00 0.60 H new ATOM 0 HG2 GLU A 40 16.960 -3.561 4.872 1.00 1.09 H new ATOM 0 HG3 GLU A 40 16.742 -4.280 6.456 1.00 1.09 H new ATOM 615 N LEU A 41 16.822 -5.707 3.102 1.00 0.49 N ATOM 616 CA LEU A 41 15.525 -6.262 2.745 1.00 0.50 C ATOM 617 C LEU A 41 15.640 -7.719 2.314 1.00 0.55 C ATOM 618 O LEU A 41 15.644 -8.597 3.156 1.00 0.62 O ATOM 619 CB LEU A 41 14.858 -5.441 1.629 1.00 0.46 C ATOM 620 CG LEU A 41 14.489 -3.989 1.957 1.00 0.44 C ATOM 621 CD1 LEU A 41 13.162 -3.639 1.308 1.00 0.55 C ATOM 622 CD2 LEU A 41 14.427 -3.734 3.460 1.00 0.66 C ATOM 0 H LEU A 41 17.205 -5.064 2.409 1.00 0.49 H new ATOM 0 HA LEU A 41 14.902 -6.214 3.638 1.00 0.50 H new ATOM 0 HB2 LEU A 41 15.526 -5.434 0.768 1.00 0.46 H new ATOM 0 HB3 LEU A 41 13.950 -5.960 1.323 1.00 0.46 H new ATOM 0 HG LEU A 41 15.275 -3.349 1.556 1.00 0.44 H new ATOM 0 HD11 LEU A 41 12.903 -2.607 1.543 1.00 0.55 H new ATOM 0 HD12 LEU A 41 13.244 -3.755 0.227 1.00 0.55 H new ATOM 0 HD13 LEU A 41 12.385 -4.303 1.687 1.00 0.55 H new ATOM 0 HD21 LEU A 41 14.162 -2.692 3.642 1.00 0.66 H new ATOM 0 HD22 LEU A 41 13.675 -4.383 3.908 1.00 0.66 H new ATOM 0 HD23 LEU A 41 15.400 -3.944 3.905 1.00 0.66 H new ATOM 634 N ALA A 42 15.771 -7.973 1.005 1.00 0.55 N ATOM 635 CA ALA A 42 15.863 -9.316 0.474 1.00 0.61 C ATOM 636 C ALA A 42 16.727 -10.206 1.337 1.00 0.67 C ATOM 637 O ALA A 42 16.557 -11.405 1.334 1.00 0.74 O ATOM 638 CB ALA A 42 16.389 -9.284 -0.934 1.00 0.65 C ATOM 0 H ALA A 42 15.815 -7.244 0.293 1.00 0.55 H new ATOM 0 HA ALA A 42 14.858 -9.738 0.472 1.00 0.61 H new ATOM 0 HB1 ALA A 42 16.453 -10.301 -1.322 1.00 0.65 H new ATOM 0 HB2 ALA A 42 15.716 -8.699 -1.561 1.00 0.65 H new ATOM 0 HB3 ALA A 42 17.380 -8.829 -0.942 1.00 0.65 H new ATOM 644 N THR A 43 17.668 -9.601 2.046 1.00 0.66 N ATOM 645 CA THR A 43 18.552 -10.316 2.939 1.00 0.73 C ATOM 646 C THR A 43 17.784 -10.927 4.116 1.00 0.78 C ATOM 647 O THR A 43 17.816 -12.137 4.329 1.00 0.86 O ATOM 648 CB THR A 43 19.631 -9.351 3.447 1.00 0.72 C ATOM 649 OG1 THR A 43 19.062 -8.049 3.659 1.00 0.66 O ATOM 650 CG2 THR A 43 20.772 -9.247 2.449 1.00 0.75 C ATOM 0 H THR A 43 17.836 -8.596 2.014 1.00 0.66 H new ATOM 0 HA THR A 43 19.016 -11.138 2.393 1.00 0.73 H new ATOM 0 HB THR A 43 20.021 -9.738 4.388 1.00 0.72 H new ATOM 0 HG1 THR A 43 19.264 -7.475 2.891 1.00 0.66 H new ATOM 0 HG21 THR A 43 21.526 -8.558 2.829 1.00 0.75 H new ATOM 0 HG22 THR A 43 21.219 -10.230 2.304 1.00 0.75 H new ATOM 0 HG23 THR A 43 20.390 -8.878 1.497 1.00 0.75 H new ATOM 658 N GLN A 44 17.151 -10.080 4.916 1.00 0.77 N ATOM 659 CA GLN A 44 16.344 -10.528 6.035 1.00 0.85 C ATOM 660 C GLN A 44 14.944 -10.918 5.570 1.00 0.85 C ATOM 661 O GLN A 44 14.218 -11.625 6.266 1.00 0.94 O ATOM 662 CB GLN A 44 16.266 -9.427 7.092 1.00 0.88 C ATOM 663 CG GLN A 44 15.252 -9.692 8.193 1.00 1.54 C ATOM 664 CD GLN A 44 15.149 -8.543 9.177 1.00 2.05 C ATOM 665 OE1 GLN A 44 14.338 -7.633 9.004 1.00 2.54 O ATOM 666 NE2 GLN A 44 15.978 -8.577 10.214 1.00 2.75 N ATOM 0 H GLN A 44 17.184 -9.067 4.805 1.00 0.77 H new ATOM 0 HA GLN A 44 16.813 -11.409 6.473 1.00 0.85 H new ATOM 0 HB2 GLN A 44 17.250 -9.301 7.543 1.00 0.88 H new ATOM 0 HB3 GLN A 44 16.017 -8.486 6.602 1.00 0.88 H new ATOM 0 HG2 GLN A 44 14.274 -9.872 7.746 1.00 1.54 H new ATOM 0 HG3 GLN A 44 15.530 -10.600 8.728 1.00 1.54 H new ATOM 0 HE21 GLN A 44 16.634 -9.351 10.317 1.00 2.75 H new ATOM 0 HE22 GLN A 44 15.959 -7.829 10.907 1.00 2.75 H new ATOM 675 N GLN A 45 14.567 -10.403 4.408 1.00 0.78 N ATOM 676 CA GLN A 45 13.275 -10.664 3.809 1.00 0.83 C ATOM 677 C GLN A 45 13.251 -11.975 3.047 1.00 0.79 C ATOM 678 O GLN A 45 12.244 -12.684 3.093 1.00 0.80 O ATOM 679 CB GLN A 45 12.903 -9.540 2.855 1.00 0.93 C ATOM 680 CG GLN A 45 12.662 -8.211 3.538 1.00 0.97 C ATOM 681 CD GLN A 45 11.544 -7.419 2.895 1.00 1.36 C ATOM 682 OE1 GLN A 45 10.895 -6.620 3.566 1.00 2.34 O ATOM 683 NE2 GLN A 45 11.321 -7.635 1.588 1.00 1.43 N ATOM 0 H GLN A 45 15.159 -9.786 3.852 1.00 0.78 H new ATOM 0 HA GLN A 45 12.555 -10.727 4.625 1.00 0.83 H new ATOM 0 HB2 GLN A 45 13.700 -9.421 2.121 1.00 0.93 H new ATOM 0 HB3 GLN A 45 12.005 -9.824 2.307 1.00 0.93 H new ATOM 0 HG2 GLN A 45 12.422 -8.384 4.587 1.00 0.97 H new ATOM 0 HG3 GLN A 45 13.579 -7.623 3.514 1.00 0.97 H new ATOM 0 HE21 GLN A 45 11.890 -8.311 1.078 1.00 1.43 H new ATOM 0 HE22 GLN A 45 10.582 -7.123 1.105 1.00 1.43 H new ATOM 692 N LEU A 46 14.361 -12.313 2.353 1.00 0.78 N ATOM 693 CA LEU A 46 14.403 -13.541 1.546 1.00 0.78 C ATOM 694 C LEU A 46 13.682 -14.673 2.246 1.00 0.74 C ATOM 695 O LEU A 46 13.017 -15.473 1.587 1.00 0.75 O ATOM 696 CB LEU A 46 15.821 -13.952 1.092 1.00 0.83 C ATOM 697 CG LEU A 46 16.944 -13.835 2.114 1.00 1.04 C ATOM 698 CD1 LEU A 46 17.009 -15.081 2.991 1.00 1.25 C ATOM 699 CD2 LEU A 46 18.274 -13.626 1.408 1.00 1.30 C ATOM 0 H LEU A 46 15.220 -11.763 2.338 1.00 0.78 H new ATOM 0 HA LEU A 46 13.871 -13.311 0.623 1.00 0.78 H new ATOM 0 HB2 LEU A 46 15.780 -14.987 0.754 1.00 0.83 H new ATOM 0 HB3 LEU A 46 16.087 -13.344 0.227 1.00 0.83 H new ATOM 0 HG LEU A 46 16.739 -12.975 2.751 1.00 1.04 H new ATOM 0 HD11 LEU A 46 17.818 -14.976 3.714 1.00 1.25 H new ATOM 0 HD12 LEU A 46 16.064 -15.203 3.520 1.00 1.25 H new ATOM 0 HD13 LEU A 46 17.191 -15.956 2.367 1.00 1.25 H new ATOM 0 HD21 LEU A 46 19.070 -13.544 2.148 1.00 1.30 H new ATOM 0 HD22 LEU A 46 18.475 -14.473 0.752 1.00 1.30 H new ATOM 0 HD23 LEU A 46 18.232 -12.711 0.817 1.00 1.30 H new ATOM 711 N PRO A 47 13.817 -14.828 3.577 1.00 0.78 N ATOM 712 CA PRO A 47 13.028 -15.819 4.247 1.00 0.80 C ATOM 713 C PRO A 47 11.731 -15.171 4.717 1.00 0.77 C ATOM 714 O PRO A 47 11.631 -14.713 5.856 1.00 0.81 O ATOM 715 CB PRO A 47 13.910 -16.170 5.461 1.00 0.90 C ATOM 716 CG PRO A 47 15.044 -15.175 5.456 1.00 0.95 C ATOM 717 CD PRO A 47 14.632 -14.081 4.512 1.00 0.90 C ATOM 0 HA PRO A 47 12.764 -16.682 3.636 1.00 0.80 H new ATOM 0 HB2 PRO A 47 13.340 -16.107 6.388 1.00 0.90 H new ATOM 0 HB3 PRO A 47 14.286 -17.190 5.387 1.00 0.90 H new ATOM 0 HG2 PRO A 47 15.221 -14.781 6.457 1.00 0.95 H new ATOM 0 HG3 PRO A 47 15.972 -15.643 5.129 1.00 0.95 H new ATOM 0 HD2 PRO A 47 14.070 -13.292 5.012 1.00 0.90 H new ATOM 0 HD3 PRO A 47 15.487 -13.607 4.029 1.00 0.90 H new ATOM 725 N HIS A 48 10.752 -15.127 3.837 1.00 0.73 N ATOM 726 CA HIS A 48 9.424 -14.616 4.168 1.00 0.74 C ATOM 727 C HIS A 48 8.465 -15.772 4.358 1.00 0.83 C ATOM 728 O HIS A 48 8.879 -16.892 4.657 1.00 0.91 O ATOM 729 CB HIS A 48 8.949 -13.587 3.128 1.00 0.73 C ATOM 730 CG HIS A 48 8.734 -12.234 3.719 1.00 0.98 C ATOM 731 ND1 HIS A 48 9.765 -11.354 3.971 1.00 1.87 N ATOM 732 CD2 HIS A 48 7.604 -11.616 4.129 1.00 1.34 C ATOM 733 CE1 HIS A 48 9.278 -10.253 4.510 1.00 2.04 C ATOM 734 NE2 HIS A 48 7.969 -10.386 4.615 1.00 1.61 N ATOM 0 H HIS A 48 10.847 -15.442 2.872 1.00 0.73 H new ATOM 0 HA HIS A 48 9.464 -14.075 5.114 1.00 0.74 H new ATOM 0 HB2 HIS A 48 9.686 -13.517 2.328 1.00 0.73 H new ATOM 0 HB3 HIS A 48 8.020 -13.934 2.676 1.00 0.73 H new ATOM 0 HD1 HIS A 48 10.750 -11.527 3.772 1.00 1.87 H new ATOM 0 HD2 HIS A 48 6.602 -12.016 4.083 1.00 1.34 H new ATOM 0 HE1 HIS A 48 9.852 -9.390 4.814 1.00 2.04 H new ATOM 743 N LEU A 49 7.184 -15.498 4.185 1.00 0.88 N ATOM 744 CA LEU A 49 6.190 -16.547 4.232 1.00 1.00 C ATOM 745 C LEU A 49 6.183 -17.223 2.860 1.00 0.98 C ATOM 746 O LEU A 49 6.809 -18.264 2.665 1.00 1.02 O ATOM 747 CB LEU A 49 4.810 -15.979 4.575 1.00 1.10 C ATOM 748 CG LEU A 49 4.648 -15.503 6.020 1.00 1.62 C ATOM 749 CD1 LEU A 49 4.981 -16.626 6.991 1.00 2.02 C ATOM 750 CD2 LEU A 49 5.526 -14.289 6.288 1.00 2.44 C ATOM 0 H LEU A 49 6.813 -14.564 4.012 1.00 0.88 H new ATOM 0 HA LEU A 49 6.431 -17.270 5.011 1.00 1.00 H new ATOM 0 HB2 LEU A 49 4.602 -15.143 3.907 1.00 1.10 H new ATOM 0 HB3 LEU A 49 4.059 -16.743 4.373 1.00 1.10 H new ATOM 0 HG LEU A 49 3.608 -15.213 6.170 1.00 1.62 H new ATOM 0 HD11 LEU A 49 4.861 -16.270 8.014 1.00 2.02 H new ATOM 0 HD12 LEU A 49 4.310 -17.467 6.818 1.00 2.02 H new ATOM 0 HD13 LEU A 49 6.011 -16.946 6.837 1.00 2.02 H new ATOM 0 HD21 LEU A 49 5.396 -13.967 7.321 1.00 2.44 H new ATOM 0 HD22 LEU A 49 6.570 -14.551 6.119 1.00 2.44 H new ATOM 0 HD23 LEU A 49 5.242 -13.479 5.617 1.00 2.44 H new ATOM 762 N LEU A 50 5.464 -16.616 1.915 1.00 0.98 N ATOM 763 CA LEU A 50 5.401 -17.108 0.537 1.00 1.01 C ATOM 764 C LEU A 50 6.570 -16.562 -0.307 1.00 0.92 C ATOM 765 O LEU A 50 6.531 -16.616 -1.536 1.00 1.01 O ATOM 766 CB LEU A 50 4.066 -16.709 -0.096 1.00 1.11 C ATOM 767 CG LEU A 50 3.776 -17.332 -1.462 1.00 1.60 C ATOM 768 CD1 LEU A 50 3.906 -18.845 -1.396 1.00 1.97 C ATOM 769 CD2 LEU A 50 2.388 -16.937 -1.941 1.00 2.25 C ATOM 0 H LEU A 50 4.912 -15.775 2.081 1.00 0.98 H new ATOM 0 HA LEU A 50 5.482 -18.195 0.560 1.00 1.01 H new ATOM 0 HB2 LEU A 50 3.263 -16.983 0.588 1.00 1.11 H new ATOM 0 HB3 LEU A 50 4.041 -15.624 -0.198 1.00 1.11 H new ATOM 0 HG LEU A 50 4.508 -16.955 -2.176 1.00 1.60 H new ATOM 0 HD11 LEU A 50 3.696 -19.271 -2.377 1.00 1.97 H new ATOM 0 HD12 LEU A 50 4.919 -19.110 -1.094 1.00 1.97 H new ATOM 0 HD13 LEU A 50 3.196 -19.240 -0.669 1.00 1.97 H new ATOM 0 HD21 LEU A 50 2.197 -17.388 -2.915 1.00 2.25 H new ATOM 0 HD22 LEU A 50 1.643 -17.287 -1.226 1.00 2.25 H new ATOM 0 HD23 LEU A 50 2.328 -15.852 -2.026 1.00 2.25 H new ATOM 781 N LYS A 51 7.603 -16.036 0.356 1.00 0.85 N ATOM 782 CA LYS A 51 8.760 -15.449 -0.320 1.00 0.81 C ATOM 783 C LYS A 51 9.195 -16.229 -1.547 1.00 0.88 C ATOM 784 O LYS A 51 8.807 -17.377 -1.761 1.00 1.03 O ATOM 785 CB LYS A 51 9.942 -15.361 0.642 1.00 0.97 C ATOM 786 CG LYS A 51 10.904 -14.195 0.383 1.00 1.23 C ATOM 787 CD LYS A 51 10.193 -12.889 0.080 1.00 2.11 C ATOM 788 CE LYS A 51 11.101 -11.692 0.326 1.00 2.68 C ATOM 789 NZ LYS A 51 10.384 -10.396 0.159 1.00 3.58 N ATOM 0 H LYS A 51 7.660 -16.006 1.374 1.00 0.85 H new ATOM 0 HA LYS A 51 8.448 -14.458 -0.648 1.00 0.81 H new ATOM 0 HB2 LYS A 51 9.558 -15.276 1.659 1.00 0.97 H new ATOM 0 HB3 LYS A 51 10.503 -16.294 0.590 1.00 0.97 H new ATOM 0 HG2 LYS A 51 11.543 -14.059 1.255 1.00 1.23 H new ATOM 0 HG3 LYS A 51 11.556 -14.449 -0.453 1.00 1.23 H new ATOM 0 HD2 LYS A 51 9.859 -12.887 -0.958 1.00 2.11 H new ATOM 0 HD3 LYS A 51 9.302 -12.805 0.702 1.00 2.11 H new ATOM 0 HE2 LYS A 51 11.511 -11.751 1.334 1.00 2.68 H new ATOM 0 HE3 LYS A 51 11.944 -11.730 -0.364 1.00 2.68 H new ATOM 0 HZ1 LYS A 51 10.839 -9.842 -0.595 1.00 3.58 H new ATOM 0 HZ2 LYS A 51 9.392 -10.578 -0.096 1.00 3.58 H new ATOM 0 HZ3 LYS A 51 10.420 -9.862 1.051 1.00 3.58 H new ATOM 803 N ASP A 52 10.030 -15.574 -2.335 1.00 0.92 N ATOM 804 CA ASP A 52 10.586 -16.150 -3.548 1.00 1.17 C ATOM 805 C ASP A 52 12.113 -16.162 -3.474 1.00 1.23 C ATOM 806 O ASP A 52 12.794 -16.251 -4.496 1.00 1.47 O ATOM 807 CB ASP A 52 10.129 -15.348 -4.769 1.00 1.29 C ATOM 808 CG ASP A 52 8.630 -15.424 -4.984 1.00 1.87 C ATOM 809 OD1 ASP A 52 8.171 -16.396 -5.621 1.00 2.61 O ATOM 810 OD2 ASP A 52 7.916 -14.513 -4.518 1.00 2.35 O ATOM 0 H ASP A 52 10.344 -14.621 -2.150 1.00 0.92 H new ATOM 0 HA ASP A 52 10.229 -17.175 -3.644 1.00 1.17 H new ATOM 0 HB2 ASP A 52 10.423 -14.306 -4.646 1.00 1.29 H new ATOM 0 HB3 ASP A 52 10.640 -15.721 -5.657 1.00 1.29 H new ATOM 815 N VAL A 53 12.645 -16.073 -2.251 1.00 1.13 N ATOM 816 CA VAL A 53 14.088 -16.069 -2.030 1.00 1.26 C ATOM 817 C VAL A 53 14.804 -15.141 -3.006 1.00 1.24 C ATOM 818 O VAL A 53 15.371 -15.579 -4.007 1.00 1.48 O ATOM 819 CB VAL A 53 14.682 -17.492 -2.111 1.00 1.57 C ATOM 820 CG1 VAL A 53 14.280 -18.183 -3.406 1.00 2.17 C ATOM 821 CG2 VAL A 53 16.198 -17.459 -1.961 1.00 1.91 C ATOM 0 H VAL A 53 12.092 -16.003 -1.397 1.00 1.13 H new ATOM 0 HA VAL A 53 14.249 -15.691 -1.020 1.00 1.26 H new ATOM 0 HB VAL A 53 14.273 -18.071 -1.283 1.00 1.57 H new ATOM 0 HG11 VAL A 53 14.713 -19.183 -3.434 1.00 2.17 H new ATOM 0 HG12 VAL A 53 13.194 -18.256 -3.457 1.00 2.17 H new ATOM 0 HG13 VAL A 53 14.645 -17.605 -4.255 1.00 2.17 H new ATOM 0 HG21 VAL A 53 16.592 -18.474 -2.022 1.00 1.91 H new ATOM 0 HG22 VAL A 53 16.629 -16.854 -2.758 1.00 1.91 H new ATOM 0 HG23 VAL A 53 16.459 -17.026 -0.995 1.00 1.91 H new ATOM 831 N GLY A 54 14.760 -13.849 -2.704 1.00 1.06 N ATOM 832 CA GLY A 54 15.411 -12.858 -3.544 1.00 1.11 C ATOM 833 C GLY A 54 16.799 -13.261 -3.990 1.00 1.14 C ATOM 834 O GLY A 54 17.665 -13.566 -3.171 1.00 1.24 O ATOM 0 H GLY A 54 14.282 -13.467 -1.888 1.00 1.06 H new ATOM 0 HA2 GLY A 54 14.794 -12.678 -4.424 1.00 1.11 H new ATOM 0 HA3 GLY A 54 15.473 -11.916 -2.999 1.00 1.11 H new ATOM 838 N SER A 55 16.991 -13.293 -5.303 1.00 1.18 N ATOM 839 CA SER A 55 18.279 -13.631 -5.880 1.00 1.25 C ATOM 840 C SER A 55 19.182 -12.405 -5.861 1.00 1.11 C ATOM 841 O SER A 55 18.708 -11.279 -6.001 1.00 1.10 O ATOM 842 CB SER A 55 18.105 -14.132 -7.313 1.00 1.41 C ATOM 843 OG SER A 55 17.857 -13.056 -8.200 1.00 1.61 O ATOM 0 H SER A 55 16.264 -13.087 -5.989 1.00 1.18 H new ATOM 0 HA SER A 55 18.736 -14.425 -5.290 1.00 1.25 H new ATOM 0 HB2 SER A 55 19.001 -14.667 -7.626 1.00 1.41 H new ATOM 0 HB3 SER A 55 17.279 -14.842 -7.356 1.00 1.41 H new ATOM 0 HG SER A 55 17.705 -13.405 -9.103 1.00 1.61 H new ATOM 849 N LEU A 56 20.480 -12.619 -5.692 1.00 1.15 N ATOM 850 CA LEU A 56 21.429 -11.512 -5.651 1.00 1.10 C ATOM 851 C LEU A 56 21.200 -10.542 -6.807 1.00 0.98 C ATOM 852 O LEU A 56 21.097 -9.333 -6.601 1.00 0.97 O ATOM 853 CB LEU A 56 22.863 -12.038 -5.686 1.00 1.28 C ATOM 854 CG LEU A 56 23.347 -12.679 -4.387 1.00 2.03 C ATOM 855 CD1 LEU A 56 24.688 -13.364 -4.597 1.00 2.61 C ATOM 856 CD2 LEU A 56 23.448 -11.633 -3.287 1.00 2.83 C ATOM 0 H LEU A 56 20.899 -13.542 -5.582 1.00 1.15 H new ATOM 0 HA LEU A 56 21.270 -10.972 -4.718 1.00 1.10 H new ATOM 0 HB2 LEU A 56 22.946 -12.771 -6.488 1.00 1.28 H new ATOM 0 HB3 LEU A 56 23.530 -11.214 -5.938 1.00 1.28 H new ATOM 0 HG LEU A 56 22.622 -13.433 -4.082 1.00 2.03 H new ATOM 0 HD11 LEU A 56 25.017 -13.815 -3.661 1.00 2.61 H new ATOM 0 HD12 LEU A 56 24.586 -14.139 -5.357 1.00 2.61 H new ATOM 0 HD13 LEU A 56 25.424 -12.630 -4.924 1.00 2.61 H new ATOM 0 HD21 LEU A 56 23.794 -12.105 -2.367 1.00 2.83 H new ATOM 0 HD22 LEU A 56 24.154 -10.858 -3.585 1.00 2.83 H new ATOM 0 HD23 LEU A 56 22.468 -11.186 -3.119 1.00 2.83 H new ATOM 868 N ASP A 57 21.111 -11.073 -8.025 1.00 1.00 N ATOM 869 CA ASP A 57 20.890 -10.232 -9.195 1.00 1.01 C ATOM 870 C ASP A 57 19.701 -9.314 -8.983 1.00 0.95 C ATOM 871 O ASP A 57 19.825 -8.091 -9.047 1.00 0.96 O ATOM 872 CB ASP A 57 20.638 -11.066 -10.437 1.00 1.15 C ATOM 873 CG ASP A 57 21.913 -11.613 -11.048 1.00 1.69 C ATOM 874 OD1 ASP A 57 22.519 -10.912 -11.886 1.00 2.20 O ATOM 875 OD2 ASP A 57 22.306 -12.744 -10.690 1.00 2.48 O ATOM 0 H ASP A 57 21.188 -12.070 -8.224 1.00 1.00 H new ATOM 0 HA ASP A 57 21.795 -9.641 -9.335 1.00 1.01 H new ATOM 0 HB2 ASP A 57 19.977 -11.895 -10.184 1.00 1.15 H new ATOM 0 HB3 ASP A 57 20.118 -10.458 -11.177 1.00 1.15 H new ATOM 880 N GLU A 58 18.540 -9.915 -8.730 1.00 0.94 N ATOM 881 CA GLU A 58 17.322 -9.149 -8.494 1.00 0.95 C ATOM 882 C GLU A 58 17.596 -8.114 -7.427 1.00 0.87 C ATOM 883 O GLU A 58 17.294 -6.932 -7.589 1.00 0.90 O ATOM 884 CB GLU A 58 16.179 -10.072 -8.054 1.00 0.98 C ATOM 885 CG GLU A 58 15.501 -10.798 -9.205 1.00 1.43 C ATOM 886 CD GLU A 58 16.469 -11.613 -10.040 1.00 1.80 C ATOM 887 OE1 GLU A 58 17.359 -11.011 -10.676 1.00 2.29 O ATOM 888 OE2 GLU A 58 16.333 -12.855 -10.064 1.00 2.42 O ATOM 0 H GLU A 58 18.419 -10.927 -8.684 1.00 0.94 H new ATOM 0 HA GLU A 58 17.020 -8.657 -9.418 1.00 0.95 H new ATOM 0 HB2 GLU A 58 16.569 -10.808 -7.351 1.00 0.98 H new ATOM 0 HB3 GLU A 58 15.434 -9.483 -7.519 1.00 0.98 H new ATOM 0 HG2 GLU A 58 14.728 -11.456 -8.808 1.00 1.43 H new ATOM 0 HG3 GLU A 58 15.002 -10.069 -9.844 1.00 1.43 H new ATOM 895 N LYS A 59 18.205 -8.578 -6.346 1.00 0.81 N ATOM 896 CA LYS A 59 18.554 -7.718 -5.239 1.00 0.76 C ATOM 897 C LYS A 59 19.534 -6.639 -5.688 1.00 0.80 C ATOM 898 O LYS A 59 19.610 -5.569 -5.090 1.00 0.79 O ATOM 899 CB LYS A 59 19.135 -8.555 -4.096 1.00 0.75 C ATOM 900 CG LYS A 59 18.207 -9.680 -3.653 1.00 0.75 C ATOM 901 CD LYS A 59 18.968 -10.833 -3.015 1.00 1.14 C ATOM 902 CE LYS A 59 19.813 -10.386 -1.836 1.00 1.95 C ATOM 903 NZ LYS A 59 20.650 -11.501 -1.308 1.00 2.67 N ATOM 0 H LYS A 59 18.467 -9.555 -6.217 1.00 0.81 H new ATOM 0 HA LYS A 59 17.656 -7.218 -4.877 1.00 0.76 H new ATOM 0 HB2 LYS A 59 20.088 -8.980 -4.412 1.00 0.75 H new ATOM 0 HB3 LYS A 59 19.342 -7.905 -3.246 1.00 0.75 H new ATOM 0 HG2 LYS A 59 17.479 -9.290 -2.942 1.00 0.75 H new ATOM 0 HG3 LYS A 59 17.647 -10.048 -4.513 1.00 0.75 H new ATOM 0 HD2 LYS A 59 18.260 -11.593 -2.684 1.00 1.14 H new ATOM 0 HD3 LYS A 59 19.610 -11.299 -3.763 1.00 1.14 H new ATOM 0 HE2 LYS A 59 20.456 -9.560 -2.140 1.00 1.95 H new ATOM 0 HE3 LYS A 59 19.165 -10.010 -1.044 1.00 1.95 H new ATOM 0 HZ1 LYS A 59 21.548 -11.120 -0.947 1.00 2.67 H new ATOM 0 HZ2 LYS A 59 20.143 -11.981 -0.537 1.00 2.67 H new ATOM 0 HZ3 LYS A 59 20.844 -12.181 -2.071 1.00 2.67 H new ATOM 917 N MET A 60 20.290 -6.941 -6.742 1.00 0.86 N ATOM 918 CA MET A 60 21.257 -6.005 -7.289 1.00 0.92 C ATOM 919 C MET A 60 20.605 -4.989 -8.225 1.00 0.96 C ATOM 920 O MET A 60 20.770 -3.781 -8.065 1.00 1.01 O ATOM 921 CB MET A 60 22.357 -6.757 -8.041 1.00 1.00 C ATOM 922 CG MET A 60 23.381 -7.411 -7.129 1.00 1.00 C ATOM 923 SD MET A 60 24.612 -8.364 -8.040 1.00 1.73 S ATOM 924 CE MET A 60 25.684 -8.895 -6.707 1.00 2.31 C ATOM 0 H MET A 60 20.247 -7.834 -7.233 1.00 0.86 H new ATOM 0 HA MET A 60 21.688 -5.461 -6.449 1.00 0.92 H new ATOM 0 HB2 MET A 60 21.899 -7.523 -8.667 1.00 1.00 H new ATOM 0 HB3 MET A 60 22.868 -6.063 -8.709 1.00 1.00 H new ATOM 0 HG2 MET A 60 23.883 -6.642 -6.542 1.00 1.00 H new ATOM 0 HG3 MET A 60 22.869 -8.066 -6.424 1.00 1.00 H new ATOM 0 HE1 MET A 60 26.497 -9.497 -7.112 1.00 2.31 H new ATOM 0 HE2 MET A 60 26.096 -8.022 -6.201 1.00 2.31 H new ATOM 0 HE3 MET A 60 25.112 -9.490 -5.995 1.00 2.31 H new ATOM 934 N LYS A 61 19.874 -5.497 -9.207 1.00 0.97 N ATOM 935 CA LYS A 61 19.203 -4.656 -10.194 1.00 1.02 C ATOM 936 C LYS A 61 18.149 -3.780 -9.545 1.00 0.96 C ATOM 937 O LYS A 61 18.293 -2.559 -9.487 1.00 0.92 O ATOM 938 CB LYS A 61 18.562 -5.526 -11.271 1.00 1.08 C ATOM 939 CG LYS A 61 17.658 -4.757 -12.219 1.00 1.55 C ATOM 940 CD LYS A 61 16.921 -5.691 -13.164 1.00 2.07 C ATOM 941 CE LYS A 61 16.083 -4.922 -14.173 1.00 2.59 C ATOM 942 NZ LYS A 61 16.925 -4.081 -15.069 1.00 3.16 N ATOM 0 H LYS A 61 19.728 -6.497 -9.344 1.00 0.97 H new ATOM 0 HA LYS A 61 19.951 -4.007 -10.648 1.00 1.02 H new ATOM 0 HB2 LYS A 61 19.348 -6.013 -11.848 1.00 1.08 H new ATOM 0 HB3 LYS A 61 17.983 -6.315 -10.791 1.00 1.08 H new ATOM 0 HG2 LYS A 61 16.937 -4.175 -11.645 1.00 1.55 H new ATOM 0 HG3 LYS A 61 18.252 -4.048 -12.796 1.00 1.55 H new ATOM 0 HD2 LYS A 61 17.640 -6.318 -13.691 1.00 2.07 H new ATOM 0 HD3 LYS A 61 16.278 -6.357 -12.589 1.00 2.07 H new ATOM 0 HE2 LYS A 61 15.503 -5.623 -14.773 1.00 2.59 H new ATOM 0 HE3 LYS A 61 15.370 -4.289 -13.645 1.00 2.59 H new ATOM 0 HZ1 LYS A 61 16.363 -3.777 -15.889 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 17.258 -3.245 -14.548 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 17.743 -4.633 -15.396 1.00 3.16 H new ATOM 956 N THR A 62 17.084 -4.407 -9.053 1.00 0.98 N ATOM 957 CA THR A 62 16.007 -3.673 -8.400 1.00 0.96 C ATOM 958 C THR A 62 16.580 -2.657 -7.422 1.00 0.86 C ATOM 959 O THR A 62 15.959 -1.637 -7.124 1.00 0.84 O ATOM 960 CB THR A 62 15.042 -4.620 -7.660 1.00 1.02 C ATOM 961 OG1 THR A 62 14.443 -5.539 -8.588 1.00 1.12 O ATOM 962 CG2 THR A 62 13.951 -3.835 -6.946 1.00 1.05 C ATOM 0 H THR A 62 16.945 -5.417 -9.094 1.00 0.98 H new ATOM 0 HA THR A 62 15.444 -3.155 -9.176 1.00 0.96 H new ATOM 0 HB THR A 62 15.616 -5.175 -6.918 1.00 1.02 H new ATOM 0 HG1 THR A 62 13.833 -6.137 -8.108 1.00 1.12 H new ATOM 0 HG21 THR A 62 13.283 -4.526 -6.432 1.00 1.05 H new ATOM 0 HG22 THR A 62 14.404 -3.160 -6.220 1.00 1.05 H new ATOM 0 HG23 THR A 62 13.383 -3.256 -7.674 1.00 1.05 H new ATOM 970 N LEU A 63 17.778 -2.957 -6.925 1.00 0.86 N ATOM 971 CA LEU A 63 18.480 -2.078 -6.012 1.00 0.84 C ATOM 972 C LEU A 63 18.455 -0.641 -6.530 1.00 0.80 C ATOM 973 O LEU A 63 17.754 0.213 -5.991 1.00 0.89 O ATOM 974 CB LEU A 63 19.922 -2.564 -5.853 1.00 0.95 C ATOM 975 CG LEU A 63 20.585 -2.260 -4.512 1.00 0.92 C ATOM 976 CD1 LEU A 63 21.484 -3.413 -4.103 1.00 1.05 C ATOM 977 CD2 LEU A 63 21.383 -0.969 -4.593 1.00 1.40 C ATOM 0 H LEU A 63 18.282 -3.815 -7.147 1.00 0.86 H new ATOM 0 HA LEU A 63 17.985 -2.096 -5.041 1.00 0.84 H new ATOM 0 HB2 LEU A 63 19.941 -3.643 -6.009 1.00 0.95 H new ATOM 0 HB3 LEU A 63 20.525 -2.117 -6.644 1.00 0.95 H new ATOM 0 HG LEU A 63 19.808 -2.136 -3.758 1.00 0.92 H new ATOM 0 HD11 LEU A 63 21.953 -3.187 -3.145 1.00 1.05 H new ATOM 0 HD12 LEU A 63 20.890 -4.322 -4.011 1.00 1.05 H new ATOM 0 HD13 LEU A 63 22.256 -3.559 -4.859 1.00 1.05 H new ATOM 0 HD21 LEU A 63 21.849 -0.768 -3.628 1.00 1.40 H new ATOM 0 HD22 LEU A 63 22.156 -1.066 -5.356 1.00 1.40 H new ATOM 0 HD23 LEU A 63 20.718 -0.146 -4.853 1.00 1.40 H new ATOM 989 N ASP A 64 19.191 -0.391 -7.608 1.00 0.79 N ATOM 990 CA ASP A 64 19.255 0.941 -8.198 1.00 0.82 C ATOM 991 C ASP A 64 17.908 1.356 -8.787 1.00 0.82 C ATOM 992 O ASP A 64 17.737 2.502 -9.192 1.00 0.89 O ATOM 993 CB ASP A 64 20.321 0.985 -9.289 1.00 0.91 C ATOM 994 CG ASP A 64 20.662 2.401 -9.706 1.00 1.35 C ATOM 995 OD1 ASP A 64 21.552 3.010 -9.073 1.00 2.05 O ATOM 996 OD2 ASP A 64 20.041 2.903 -10.667 1.00 1.99 O ATOM 0 H ASP A 64 19.751 -1.093 -8.091 1.00 0.79 H new ATOM 0 HA ASP A 64 19.514 1.641 -7.403 1.00 0.82 H new ATOM 0 HB2 ASP A 64 21.223 0.487 -8.933 1.00 0.91 H new ATOM 0 HB3 ASP A 64 19.971 0.427 -10.158 1.00 0.91 H new ATOM 1001 N VAL A 65 16.976 0.408 -8.888 1.00 0.82 N ATOM 1002 CA VAL A 65 15.649 0.694 -9.420 1.00 0.87 C ATOM 1003 C VAL A 65 14.729 1.284 -8.349 1.00 0.77 C ATOM 1004 O VAL A 65 14.217 2.393 -8.491 1.00 0.82 O ATOM 1005 CB VAL A 65 14.997 -0.574 -10.018 1.00 0.95 C ATOM 1006 CG1 VAL A 65 13.612 -0.258 -10.563 1.00 1.06 C ATOM 1007 CG2 VAL A 65 15.881 -1.161 -11.108 1.00 1.07 C ATOM 0 H VAL A 65 17.118 -0.563 -8.608 1.00 0.82 H new ATOM 0 HA VAL A 65 15.781 1.431 -10.212 1.00 0.87 H new ATOM 0 HB VAL A 65 14.890 -1.314 -9.225 1.00 0.95 H new ATOM 0 HG11 VAL A 65 13.170 -1.163 -10.979 1.00 1.06 H new ATOM 0 HG12 VAL A 65 12.981 0.117 -9.757 1.00 1.06 H new ATOM 0 HG13 VAL A 65 13.692 0.499 -11.343 1.00 1.06 H new ATOM 0 HG21 VAL A 65 15.408 -2.053 -11.519 1.00 1.07 H new ATOM 0 HG22 VAL A 65 16.018 -0.425 -11.900 1.00 1.07 H new ATOM 0 HG23 VAL A 65 16.851 -1.426 -10.687 1.00 1.07 H new ATOM 1017 N ASN A 66 14.503 0.507 -7.293 1.00 0.72 N ATOM 1018 CA ASN A 66 13.629 0.909 -6.189 1.00 0.68 C ATOM 1019 C ASN A 66 14.321 1.782 -5.140 1.00 0.57 C ATOM 1020 O ASN A 66 13.935 1.751 -3.976 1.00 0.57 O ATOM 1021 CB ASN A 66 13.104 -0.334 -5.488 1.00 0.82 C ATOM 1022 CG ASN A 66 12.180 -1.159 -6.358 1.00 0.81 C ATOM 1023 OD1 ASN A 66 12.300 -1.165 -7.583 1.00 1.51 O ATOM 1024 ND2 ASN A 66 11.251 -1.866 -5.727 1.00 1.10 N ATOM 0 H ASN A 66 14.918 -0.417 -7.176 1.00 0.72 H new ATOM 0 HA ASN A 66 12.830 1.501 -6.635 1.00 0.68 H new ATOM 0 HB2 ASN A 66 13.946 -0.951 -5.175 1.00 0.82 H new ATOM 0 HB3 ASN A 66 12.573 -0.037 -4.583 1.00 0.82 H new ATOM 0 HD21 ASN A 66 10.601 -2.444 -6.259 1.00 1.10 H new ATOM 0 HD22 ASN A 66 11.187 -1.832 -4.710 1.00 1.10 H new ATOM 1031 N GLN A 67 15.303 2.573 -5.530 1.00 0.62 N ATOM 1032 CA GLN A 67 16.031 3.398 -4.568 1.00 0.68 C ATOM 1033 C GLN A 67 15.106 4.332 -3.809 1.00 0.61 C ATOM 1034 O GLN A 67 15.069 4.334 -2.585 1.00 0.66 O ATOM 1035 CB GLN A 67 17.135 4.209 -5.254 1.00 0.88 C ATOM 1036 CG GLN A 67 16.659 5.272 -6.218 1.00 0.74 C ATOM 1037 CD GLN A 67 15.820 4.738 -7.337 1.00 1.15 C ATOM 1038 OE1 GLN A 67 16.145 3.728 -7.949 1.00 1.97 O ATOM 1039 NE2 GLN A 67 14.699 5.386 -7.567 1.00 1.36 N ATOM 0 H GLN A 67 15.617 2.666 -6.496 1.00 0.62 H new ATOM 0 HA GLN A 67 16.487 2.713 -3.853 1.00 0.68 H new ATOM 0 HB2 GLN A 67 17.742 4.686 -4.485 1.00 0.88 H new ATOM 0 HB3 GLN A 67 17.786 3.520 -5.792 1.00 0.88 H new ATOM 0 HG2 GLN A 67 16.084 6.017 -5.668 1.00 0.74 H new ATOM 0 HG3 GLN A 67 17.525 5.784 -6.637 1.00 0.74 H new ATOM 0 HE21 GLN A 67 14.474 6.223 -7.029 1.00 1.36 H new ATOM 0 HE22 GLN A 67 14.054 5.051 -8.283 1.00 1.36 H new ATOM 1048 N ASP A 68 14.342 5.096 -4.552 1.00 0.59 N ATOM 1049 CA ASP A 68 13.422 6.065 -3.981 1.00 0.62 C ATOM 1050 C ASP A 68 12.121 5.399 -3.565 1.00 0.59 C ATOM 1051 O ASP A 68 11.262 6.039 -2.968 1.00 0.66 O ATOM 1052 CB ASP A 68 13.145 7.192 -4.977 1.00 0.74 C ATOM 1053 CG ASP A 68 14.401 7.957 -5.350 1.00 1.00 C ATOM 1054 OD1 ASP A 68 14.828 8.822 -4.555 1.00 1.62 O ATOM 1055 OD2 ASP A 68 14.956 7.693 -6.437 1.00 1.51 O ATOM 0 H ASP A 68 14.337 5.068 -5.572 1.00 0.59 H new ATOM 0 HA ASP A 68 13.888 6.490 -3.092 1.00 0.62 H new ATOM 0 HB2 ASP A 68 12.696 6.774 -5.878 1.00 0.74 H new ATOM 0 HB3 ASP A 68 12.417 7.881 -4.548 1.00 0.74 H new ATOM 1060 N SER A 69 12.032 4.083 -3.792 1.00 0.56 N ATOM 1061 CA SER A 69 10.825 3.315 -3.468 1.00 0.59 C ATOM 1062 C SER A 69 10.445 3.541 -2.022 1.00 0.63 C ATOM 1063 O SER A 69 9.322 3.268 -1.602 1.00 0.75 O ATOM 1064 CB SER A 69 11.051 1.837 -3.749 1.00 0.68 C ATOM 1065 OG SER A 69 11.277 1.618 -5.127 1.00 1.75 O ATOM 0 H SER A 69 12.784 3.527 -4.200 1.00 0.56 H new ATOM 0 HA SER A 69 10.003 3.656 -4.097 1.00 0.59 H new ATOM 0 HB2 SER A 69 11.905 1.479 -3.174 1.00 0.68 H new ATOM 0 HB3 SER A 69 10.184 1.263 -3.422 1.00 0.68 H new ATOM 0 HG SER A 69 10.694 0.897 -5.444 1.00 1.75 H new ATOM 1071 N GLU A 70 11.422 4.004 -1.275 1.00 0.64 N ATOM 1072 CA GLU A 70 11.277 4.342 0.109 1.00 0.76 C ATOM 1073 C GLU A 70 11.698 5.786 0.298 1.00 0.78 C ATOM 1074 O GLU A 70 12.836 6.142 -0.002 1.00 0.81 O ATOM 1075 CB GLU A 70 12.215 3.479 0.899 1.00 0.85 C ATOM 1076 CG GLU A 70 13.574 3.339 0.228 1.00 1.33 C ATOM 1077 CD GLU A 70 13.615 2.166 -0.724 1.00 2.19 C ATOM 1078 OE1 GLU A 70 12.857 1.199 -0.509 1.00 2.72 O ATOM 1079 OE2 GLU A 70 14.399 2.216 -1.686 1.00 2.88 O ATOM 0 H GLU A 70 12.365 4.158 -1.632 1.00 0.64 H new ATOM 0 HA GLU A 70 10.246 4.197 0.432 1.00 0.76 H new ATOM 0 HB2 GLU A 70 12.346 3.904 1.894 1.00 0.85 H new ATOM 0 HB3 GLU A 70 11.773 2.491 1.030 1.00 0.85 H new ATOM 0 HG2 GLU A 70 13.807 4.255 -0.315 1.00 1.33 H new ATOM 0 HG3 GLU A 70 14.344 3.215 0.990 1.00 1.33 H new ATOM 1086 N LEU A 71 10.803 6.637 0.741 1.00 0.79 N ATOM 1087 CA LEU A 71 11.183 8.021 0.912 1.00 0.83 C ATOM 1088 C LEU A 71 10.491 8.753 2.027 1.00 0.81 C ATOM 1089 O LEU A 71 9.510 8.297 2.616 1.00 0.86 O ATOM 1090 CB LEU A 71 11.047 8.818 -0.354 1.00 0.99 C ATOM 1091 CG LEU A 71 9.674 8.880 -0.936 1.00 0.79 C ATOM 1092 CD1 LEU A 71 9.145 7.488 -1.185 1.00 1.89 C ATOM 1093 CD2 LEU A 71 8.751 9.727 -0.073 1.00 1.26 C ATOM 0 H LEU A 71 9.839 6.409 0.983 1.00 0.79 H new ATOM 0 HA LEU A 71 12.233 7.943 1.195 1.00 0.83 H new ATOM 0 HB2 LEU A 71 11.385 9.836 -0.159 1.00 0.99 H new ATOM 0 HB3 LEU A 71 11.720 8.396 -1.101 1.00 0.99 H new ATOM 0 HG LEU A 71 9.720 9.377 -1.905 1.00 0.79 H new ATOM 0 HD11 LEU A 71 8.143 7.550 -1.609 1.00 1.89 H new ATOM 0 HD12 LEU A 71 9.803 6.968 -1.882 1.00 1.89 H new ATOM 0 HD13 LEU A 71 9.107 6.939 -0.244 1.00 1.89 H new ATOM 0 HD21 LEU A 71 7.758 9.755 -0.521 1.00 1.26 H new ATOM 0 HD22 LEU A 71 8.687 9.294 0.925 1.00 1.26 H new ATOM 0 HD23 LEU A 71 9.146 10.741 -0.004 1.00 1.26 H new ATOM 1105 N ARG A 72 11.057 9.915 2.288 1.00 0.77 N ATOM 1106 CA ARG A 72 10.587 10.836 3.293 1.00 0.79 C ATOM 1107 C ARG A 72 10.138 12.140 2.628 1.00 0.68 C ATOM 1108 O ARG A 72 9.564 13.009 3.284 1.00 0.75 O ATOM 1109 CB ARG A 72 11.718 11.159 4.276 1.00 0.91 C ATOM 1110 CG ARG A 72 12.829 10.120 4.340 1.00 1.00 C ATOM 1111 CD ARG A 72 12.293 8.700 4.388 1.00 1.06 C ATOM 1112 NE ARG A 72 10.970 8.616 5.009 1.00 1.30 N ATOM 1113 CZ ARG A 72 10.778 8.563 6.323 1.00 1.18 C ATOM 1114 NH1 ARG A 72 11.812 8.611 7.151 1.00 1.56 N ATOM 1115 NH2 ARG A 72 9.549 8.468 6.810 1.00 1.42 N ATOM 0 H ARG A 72 11.881 10.250 1.789 1.00 0.77 H new ATOM 0 HA ARG A 72 9.753 10.377 3.824 1.00 0.79 H new ATOM 0 HB2 ARG A 72 12.154 12.120 4.002 1.00 0.91 H new ATOM 0 HB3 ARG A 72 11.291 11.275 5.272 1.00 0.91 H new ATOM 0 HG2 ARG A 72 13.477 10.231 3.471 1.00 1.00 H new ATOM 0 HG3 ARG A 72 13.444 10.303 5.221 1.00 1.00 H new ATOM 0 HD2 ARG A 72 12.240 8.302 3.375 1.00 1.06 H new ATOM 0 HD3 ARG A 72 12.990 8.071 4.942 1.00 1.06 H new ATOM 0 HE ARG A 72 10.152 8.597 4.401 1.00 1.30 H new ATOM 0 HH11 ARG A 72 12.759 8.689 6.780 1.00 1.56 H new ATOM 0 HH12 ARG A 72 11.661 8.570 8.159 1.00 1.56 H new ATOM 0 HH21 ARG A 72 8.750 8.436 6.176 1.00 1.42 H new ATOM 0 HH22 ARG A 72 9.402 8.427 7.818 1.00 1.42 H new ATOM 1129 N PHE A 73 10.402 12.278 1.317 1.00 0.60 N ATOM 1130 CA PHE A 73 10.046 13.495 0.605 1.00 0.57 C ATOM 1131 C PHE A 73 8.899 13.264 -0.399 1.00 0.51 C ATOM 1132 O PHE A 73 7.875 12.693 -0.022 1.00 0.63 O ATOM 1133 CB PHE A 73 11.300 14.177 -0.004 1.00 0.64 C ATOM 1134 CG PHE A 73 11.966 13.540 -1.215 1.00 0.58 C ATOM 1135 CD1 PHE A 73 12.323 12.194 -1.271 1.00 1.36 C ATOM 1136 CD2 PHE A 73 12.237 14.338 -2.315 1.00 1.24 C ATOM 1137 CE1 PHE A 73 12.927 11.673 -2.410 1.00 1.44 C ATOM 1138 CE2 PHE A 73 12.838 13.824 -3.441 1.00 1.31 C ATOM 1139 CZ PHE A 73 13.181 12.491 -3.490 1.00 0.86 C ATOM 0 H PHE A 73 10.855 11.566 0.744 1.00 0.60 H new ATOM 0 HA PHE A 73 9.644 14.207 1.326 1.00 0.57 H new ATOM 0 HB2 PHE A 73 11.022 15.195 -0.278 1.00 0.64 H new ATOM 0 HB3 PHE A 73 12.050 14.252 0.783 1.00 0.64 H new ATOM 0 HD1 PHE A 73 12.129 11.552 -0.425 1.00 1.36 H new ATOM 0 HD2 PHE A 73 11.971 15.384 -2.288 1.00 1.24 H new ATOM 0 HE1 PHE A 73 13.197 10.628 -2.448 1.00 1.44 H new ATOM 0 HE2 PHE A 73 13.041 14.465 -4.286 1.00 1.31 H new ATOM 0 HZ PHE A 73 13.649 12.086 -4.375 1.00 0.86 H new ATOM 1149 N SER A 74 9.042 13.670 -1.664 1.00 0.48 N ATOM 1150 CA SER A 74 7.952 13.518 -2.618 1.00 0.46 C ATOM 1151 C SER A 74 8.152 12.353 -3.542 1.00 0.42 C ATOM 1152 O SER A 74 7.458 12.222 -4.548 1.00 0.47 O ATOM 1153 CB SER A 74 7.738 14.778 -3.445 1.00 0.60 C ATOM 1154 OG SER A 74 8.974 15.365 -3.815 1.00 1.01 O ATOM 0 H SER A 74 9.887 14.098 -2.042 1.00 0.48 H new ATOM 0 HA SER A 74 7.064 13.332 -2.014 1.00 0.46 H new ATOM 0 HB2 SER A 74 7.165 14.536 -4.340 1.00 0.60 H new ATOM 0 HB3 SER A 74 7.148 15.495 -2.874 1.00 0.60 H new ATOM 0 HG SER A 74 8.807 16.171 -4.346 1.00 1.01 H new ATOM 1160 N GLU A 75 9.092 11.506 -3.221 1.00 0.43 N ATOM 1161 CA GLU A 75 9.316 10.347 -4.029 1.00 0.42 C ATOM 1162 C GLU A 75 8.306 9.251 -3.654 1.00 0.42 C ATOM 1163 O GLU A 75 8.411 8.135 -4.138 1.00 0.55 O ATOM 1164 CB GLU A 75 10.754 9.865 -3.817 1.00 0.44 C ATOM 1165 CG GLU A 75 11.765 10.331 -4.843 1.00 0.60 C ATOM 1166 CD GLU A 75 11.603 9.655 -6.189 1.00 0.93 C ATOM 1167 OE1 GLU A 75 10.450 9.458 -6.617 1.00 1.60 O ATOM 1168 OE2 GLU A 75 12.632 9.322 -6.814 1.00 1.42 O ATOM 0 H GLU A 75 9.708 11.598 -2.413 1.00 0.43 H new ATOM 0 HA GLU A 75 9.177 10.589 -5.083 1.00 0.42 H new ATOM 0 HB2 GLU A 75 11.086 10.195 -2.832 1.00 0.44 H new ATOM 0 HB3 GLU A 75 10.753 8.775 -3.805 1.00 0.44 H new ATOM 0 HG2 GLU A 75 11.672 11.409 -4.972 1.00 0.60 H new ATOM 0 HG3 GLU A 75 12.770 10.140 -4.466 1.00 0.60 H new ATOM 1175 N TYR A 76 7.350 9.576 -2.754 1.00 0.38 N ATOM 1176 CA TYR A 76 6.351 8.613 -2.284 1.00 0.38 C ATOM 1177 C TYR A 76 5.755 7.804 -3.411 1.00 0.39 C ATOM 1178 O TYR A 76 5.389 6.653 -3.217 1.00 0.43 O ATOM 1179 CB TYR A 76 5.267 9.292 -1.420 1.00 0.40 C ATOM 1180 CG TYR A 76 5.557 9.274 0.069 1.00 0.41 C ATOM 1181 CD1 TYR A 76 6.366 8.300 0.621 1.00 1.29 C ATOM 1182 CD2 TYR A 76 5.051 10.249 0.917 1.00 1.22 C ATOM 1183 CE1 TYR A 76 6.674 8.278 1.945 1.00 1.30 C ATOM 1184 CE2 TYR A 76 5.349 10.238 2.267 1.00 1.25 C ATOM 1185 CZ TYR A 76 6.166 9.250 2.779 1.00 0.49 C ATOM 1186 OH TYR A 76 6.475 9.239 4.120 1.00 0.55 O ATOM 0 H TYR A 76 7.257 10.505 -2.342 1.00 0.38 H new ATOM 0 HA TYR A 76 6.875 7.904 -1.643 1.00 0.38 H new ATOM 0 HB2 TYR A 76 5.155 10.327 -1.744 1.00 0.40 H new ATOM 0 HB3 TYR A 76 4.313 8.797 -1.599 1.00 0.40 H new ATOM 0 HD1 TYR A 76 6.767 7.530 -0.021 1.00 1.29 H new ATOM 0 HD2 TYR A 76 4.416 11.026 0.517 1.00 1.22 H new ATOM 0 HE1 TYR A 76 7.313 7.503 2.341 1.00 1.30 H new ATOM 0 HE2 TYR A 76 4.944 10.999 2.918 1.00 1.25 H new ATOM 0 HH TYR A 76 6.036 9.995 4.563 1.00 0.55 H new ATOM 1196 N TRP A 77 5.732 8.356 -4.606 1.00 0.39 N ATOM 1197 CA TRP A 77 5.204 7.603 -5.743 1.00 0.43 C ATOM 1198 C TRP A 77 6.094 6.389 -6.011 1.00 0.45 C ATOM 1199 O TRP A 77 5.745 5.524 -6.812 1.00 0.49 O ATOM 1200 CB TRP A 77 5.135 8.443 -7.021 1.00 0.44 C ATOM 1201 CG TRP A 77 6.475 8.927 -7.459 1.00 0.44 C ATOM 1202 CD1 TRP A 77 7.477 8.155 -7.954 1.00 0.49 C ATOM 1203 CD2 TRP A 77 6.972 10.272 -7.438 1.00 0.45 C ATOM 1204 NE1 TRP A 77 8.566 8.927 -8.242 1.00 0.52 N ATOM 1205 CE2 TRP A 77 8.283 10.233 -7.937 1.00 0.50 C ATOM 1206 CE3 TRP A 77 6.440 11.501 -7.049 1.00 0.46 C ATOM 1207 CZ2 TRP A 77 9.070 11.377 -8.057 1.00 0.55 C ATOM 1208 CZ3 TRP A 77 7.217 12.635 -7.167 1.00 0.51 C ATOM 1209 CH2 TRP A 77 8.521 12.568 -7.667 1.00 0.55 C ATOM 0 H TRP A 77 6.061 9.297 -4.821 1.00 0.39 H new ATOM 0 HA TRP A 77 4.191 7.299 -5.481 1.00 0.43 H new ATOM 0 HB2 TRP A 77 4.688 7.849 -7.818 1.00 0.44 H new ATOM 0 HB3 TRP A 77 4.480 9.298 -6.855 1.00 0.44 H new ATOM 0 HD1 TRP A 77 7.421 7.086 -8.099 1.00 0.49 H new ATOM 0 HE1 TRP A 77 9.449 8.586 -8.623 1.00 0.52 H new ATOM 0 HE3 TRP A 77 5.434 11.564 -6.661 1.00 0.46 H new ATOM 0 HZ2 TRP A 77 10.077 11.325 -8.444 1.00 0.55 H new ATOM 0 HZ3 TRP A 77 6.811 13.590 -6.868 1.00 0.51 H new ATOM 0 HH2 TRP A 77 9.105 13.473 -7.747 1.00 0.55 H new ATOM 1220 N ARG A 78 7.254 6.327 -5.345 1.00 0.43 N ATOM 1221 CA ARG A 78 8.175 5.231 -5.529 1.00 0.47 C ATOM 1222 C ARG A 78 7.700 4.057 -4.673 1.00 0.49 C ATOM 1223 O ARG A 78 7.818 2.902 -5.081 1.00 0.61 O ATOM 1224 CB ARG A 78 9.606 5.702 -5.210 1.00 0.50 C ATOM 1225 CG ARG A 78 10.055 6.881 -6.057 1.00 0.60 C ATOM 1226 CD ARG A 78 10.752 6.425 -7.331 1.00 0.77 C ATOM 1227 NE ARG A 78 9.845 5.727 -8.238 1.00 1.48 N ATOM 1228 CZ ARG A 78 10.255 4.960 -9.242 1.00 1.75 C ATOM 1229 NH1 ARG A 78 11.552 4.794 -9.468 1.00 1.37 N ATOM 1230 NH2 ARG A 78 9.369 4.358 -10.023 1.00 2.82 N ATOM 0 H ARG A 78 7.565 7.031 -4.676 1.00 0.43 H new ATOM 0 HA ARG A 78 8.198 4.887 -6.563 1.00 0.47 H new ATOM 0 HB2 ARG A 78 9.664 5.977 -4.157 1.00 0.50 H new ATOM 0 HB3 ARG A 78 10.296 4.872 -5.361 1.00 0.50 H new ATOM 0 HG2 ARG A 78 9.191 7.494 -6.314 1.00 0.60 H new ATOM 0 HG3 ARG A 78 10.731 7.509 -5.477 1.00 0.60 H new ATOM 0 HD2 ARG A 78 11.177 7.290 -7.840 1.00 0.77 H new ATOM 0 HD3 ARG A 78 11.582 5.767 -7.073 1.00 0.77 H new ATOM 0 HE ARG A 78 8.841 5.834 -8.093 1.00 1.48 H new ATOM 0 HH11 ARG A 78 12.237 5.256 -8.870 1.00 1.37 H new ATOM 0 HH12 ARG A 78 11.864 4.204 -10.240 1.00 1.37 H new ATOM 0 HH21 ARG A 78 8.371 4.484 -9.853 1.00 2.82 H new ATOM 0 HH22 ARG A 78 9.685 3.769 -10.794 1.00 2.82 H new ATOM 1244 N LEU A 79 7.161 4.351 -3.475 1.00 0.43 N ATOM 1245 CA LEU A 79 6.581 3.289 -2.647 1.00 0.46 C ATOM 1246 C LEU A 79 5.374 2.693 -3.358 1.00 0.47 C ATOM 1247 O LEU A 79 4.897 1.621 -2.995 1.00 0.53 O ATOM 1248 CB LEU A 79 6.060 3.757 -1.279 1.00 0.55 C ATOM 1249 CG LEU A 79 6.540 5.087 -0.731 1.00 0.63 C ATOM 1250 CD1 LEU A 79 5.514 5.579 0.283 1.00 1.24 C ATOM 1251 CD2 LEU A 79 7.902 4.921 -0.079 1.00 0.89 C ATOM 0 H LEU A 79 7.117 5.287 -3.072 1.00 0.43 H new ATOM 0 HA LEU A 79 7.397 2.583 -2.490 1.00 0.46 H new ATOM 0 HB2 LEU A 79 4.972 3.797 -1.336 1.00 0.55 H new ATOM 0 HB3 LEU A 79 6.313 2.988 -0.549 1.00 0.55 H new ATOM 0 HG LEU A 79 6.642 5.815 -1.536 1.00 0.63 H new ATOM 0 HD11 LEU A 79 5.837 6.536 0.692 1.00 1.24 H new ATOM 0 HD12 LEU A 79 4.548 5.701 -0.207 1.00 1.24 H new ATOM 0 HD13 LEU A 79 5.422 4.852 1.090 1.00 1.24 H new ATOM 0 HD21 LEU A 79 8.238 5.882 0.311 1.00 0.89 H new ATOM 0 HD22 LEU A 79 7.829 4.203 0.738 1.00 0.89 H new ATOM 0 HD23 LEU A 79 8.617 4.559 -0.818 1.00 0.89 H new ATOM 1263 N ILE A 80 4.859 3.410 -4.347 1.00 0.46 N ATOM 1264 CA ILE A 80 3.680 2.980 -5.071 1.00 0.49 C ATOM 1265 C ILE A 80 3.731 1.495 -5.431 1.00 0.49 C ATOM 1266 O ILE A 80 2.784 0.755 -5.166 1.00 0.51 O ATOM 1267 CB ILE A 80 3.454 3.879 -6.315 1.00 0.53 C ATOM 1268 CG1 ILE A 80 1.970 3.937 -6.688 1.00 0.60 C ATOM 1269 CG2 ILE A 80 4.280 3.407 -7.492 1.00 0.57 C ATOM 1270 CD1 ILE A 80 1.403 2.613 -7.152 1.00 1.16 C ATOM 0 H ILE A 80 5.246 4.299 -4.665 1.00 0.46 H new ATOM 0 HA ILE A 80 2.820 3.097 -4.412 1.00 0.49 H new ATOM 0 HB ILE A 80 3.782 4.886 -6.056 1.00 0.53 H new ATOM 0 HG12 ILE A 80 1.401 4.282 -5.824 1.00 0.60 H new ATOM 0 HG13 ILE A 80 1.832 4.677 -7.477 1.00 0.60 H new ATOM 0 HG21 ILE A 80 4.099 4.058 -8.348 1.00 0.57 H new ATOM 0 HG22 ILE A 80 5.338 3.438 -7.230 1.00 0.57 H new ATOM 0 HG23 ILE A 80 3.999 2.385 -7.747 1.00 0.57 H new ATOM 0 HD11 ILE A 80 0.348 2.735 -7.398 1.00 1.16 H new ATOM 0 HD12 ILE A 80 1.945 2.275 -8.035 1.00 1.16 H new ATOM 0 HD13 ILE A 80 1.507 1.874 -6.357 1.00 1.16 H new ATOM 1282 N GLY A 81 4.827 1.061 -6.029 1.00 0.48 N ATOM 1283 CA GLY A 81 4.965 -0.344 -6.356 1.00 0.49 C ATOM 1284 C GLY A 81 5.296 -1.167 -5.125 1.00 0.43 C ATOM 1285 O GLY A 81 5.188 -2.394 -5.139 1.00 0.43 O ATOM 0 H GLY A 81 5.618 1.648 -6.293 1.00 0.48 H new ATOM 0 HA2 GLY A 81 4.039 -0.708 -6.802 1.00 0.49 H new ATOM 0 HA3 GLY A 81 5.749 -0.470 -7.102 1.00 0.49 H new ATOM 1289 N GLU A 82 5.699 -0.483 -4.054 1.00 0.41 N ATOM 1290 CA GLU A 82 6.058 -1.149 -2.805 1.00 0.39 C ATOM 1291 C GLU A 82 4.851 -1.454 -1.951 1.00 0.33 C ATOM 1292 O GLU A 82 4.689 -2.572 -1.473 1.00 0.34 O ATOM 1293 CB GLU A 82 7.018 -0.321 -1.982 1.00 0.43 C ATOM 1294 CG GLU A 82 8.334 -0.040 -2.667 1.00 0.46 C ATOM 1295 CD GLU A 82 9.513 -0.185 -1.725 1.00 0.71 C ATOM 1296 OE1 GLU A 82 9.756 0.748 -0.930 1.00 1.47 O ATOM 1297 OE2 GLU A 82 10.193 -1.231 -1.781 1.00 1.39 O ATOM 0 H GLU A 82 5.785 0.533 -4.028 1.00 0.41 H new ATOM 0 HA GLU A 82 6.536 -2.083 -3.102 1.00 0.39 H new ATOM 0 HB2 GLU A 82 6.541 0.627 -1.732 1.00 0.43 H new ATOM 0 HB3 GLU A 82 7.213 -0.838 -1.042 1.00 0.43 H new ATOM 0 HG2 GLU A 82 8.457 -0.723 -3.508 1.00 0.46 H new ATOM 0 HG3 GLU A 82 8.320 0.970 -3.076 1.00 0.46 H new ATOM 1304 N LEU A 83 4.024 -0.447 -1.703 1.00 0.34 N ATOM 1305 CA LEU A 83 2.830 -0.654 -0.897 1.00 0.35 C ATOM 1306 C LEU A 83 2.044 -1.831 -1.444 1.00 0.35 C ATOM 1307 O LEU A 83 1.205 -2.397 -0.756 1.00 0.43 O ATOM 1308 CB LEU A 83 1.981 0.615 -0.846 1.00 0.43 C ATOM 1309 CG LEU A 83 2.200 1.472 0.404 1.00 0.50 C ATOM 1310 CD1 LEU A 83 1.835 2.921 0.132 1.00 1.26 C ATOM 1311 CD2 LEU A 83 1.386 0.928 1.568 1.00 1.31 C ATOM 0 H LEU A 83 4.155 0.506 -2.042 1.00 0.34 H new ATOM 0 HA LEU A 83 3.125 -0.883 0.127 1.00 0.35 H new ATOM 0 HB2 LEU A 83 2.197 1.218 -1.728 1.00 0.43 H new ATOM 0 HB3 LEU A 83 0.929 0.336 -0.901 1.00 0.43 H new ATOM 0 HG LEU A 83 3.257 1.430 0.669 1.00 0.50 H new ATOM 0 HD11 LEU A 83 1.998 3.513 1.033 1.00 1.26 H new ATOM 0 HD12 LEU A 83 2.458 3.308 -0.674 1.00 1.26 H new ATOM 0 HD13 LEU A 83 0.786 2.984 -0.158 1.00 1.26 H new ATOM 0 HD21 LEU A 83 1.552 1.548 2.449 1.00 1.31 H new ATOM 0 HD22 LEU A 83 0.327 0.941 1.309 1.00 1.31 H new ATOM 0 HD23 LEU A 83 1.694 -0.096 1.781 1.00 1.31 H new ATOM 1323 N ALA A 84 2.273 -2.145 -2.714 1.00 0.34 N ATOM 1324 CA ALA A 84 1.652 -3.301 -3.320 1.00 0.37 C ATOM 1325 C ALA A 84 2.472 -4.558 -3.032 1.00 0.41 C ATOM 1326 O ALA A 84 1.933 -5.656 -2.950 1.00 0.48 O ATOM 1327 CB ALA A 84 1.477 -3.103 -4.814 1.00 0.42 C ATOM 0 H ALA A 84 2.882 -1.614 -3.336 1.00 0.34 H new ATOM 0 HA ALA A 84 0.662 -3.426 -2.881 1.00 0.37 H new ATOM 0 HB1 ALA A 84 1.008 -3.987 -5.246 1.00 0.42 H new ATOM 0 HB2 ALA A 84 0.846 -2.233 -4.994 1.00 0.42 H new ATOM 0 HB3 ALA A 84 2.451 -2.947 -5.277 1.00 0.42 H new ATOM 1333 N LYS A 85 3.794 -4.384 -2.880 1.00 0.42 N ATOM 1334 CA LYS A 85 4.708 -5.493 -2.573 1.00 0.51 C ATOM 1335 C LYS A 85 4.065 -6.455 -1.583 1.00 0.50 C ATOM 1336 O LYS A 85 4.358 -7.646 -1.572 1.00 0.67 O ATOM 1337 CB LYS A 85 6.031 -4.967 -2.021 1.00 0.62 C ATOM 1338 CG LYS A 85 7.239 -5.752 -2.516 1.00 1.18 C ATOM 1339 CD LYS A 85 7.432 -5.615 -4.021 1.00 1.42 C ATOM 1340 CE LYS A 85 7.926 -4.229 -4.400 1.00 1.55 C ATOM 1341 NZ LYS A 85 8.220 -4.130 -5.856 1.00 2.69 N ATOM 0 H LYS A 85 4.256 -3.478 -2.966 1.00 0.42 H new ATOM 0 HA LYS A 85 4.913 -6.032 -3.498 1.00 0.51 H new ATOM 0 HB2 LYS A 85 6.145 -3.920 -2.303 1.00 0.62 H new ATOM 0 HB3 LYS A 85 6.003 -5.003 -0.932 1.00 0.62 H new ATOM 0 HG2 LYS A 85 8.134 -5.401 -2.002 1.00 1.18 H new ATOM 0 HG3 LYS A 85 7.117 -6.805 -2.261 1.00 1.18 H new ATOM 0 HD2 LYS A 85 8.146 -6.363 -4.366 1.00 1.42 H new ATOM 0 HD3 LYS A 85 6.489 -5.817 -4.529 1.00 1.42 H new ATOM 0 HE2 LYS A 85 7.174 -3.488 -4.129 1.00 1.55 H new ATOM 0 HE3 LYS A 85 8.825 -3.994 -3.830 1.00 1.55 H new ATOM 0 HZ1 LYS A 85 8.555 -3.171 -6.078 1.00 2.69 H new ATOM 0 HZ2 LYS A 85 8.955 -4.821 -6.109 1.00 2.69 H new ATOM 0 HZ3 LYS A 85 7.356 -4.330 -6.399 1.00 2.69 H new ATOM 1355 N GLU A 86 3.211 -5.907 -0.734 1.00 0.45 N ATOM 1356 CA GLU A 86 2.472 -6.698 0.233 1.00 0.45 C ATOM 1357 C GLU A 86 1.213 -7.296 -0.402 1.00 0.44 C ATOM 1358 O GLU A 86 0.970 -8.493 -0.317 1.00 0.46 O ATOM 1359 CB GLU A 86 2.077 -5.839 1.441 1.00 0.48 C ATOM 1360 CG GLU A 86 1.198 -4.665 1.076 1.00 0.98 C ATOM 1361 CD GLU A 86 1.030 -3.677 2.214 1.00 2.08 C ATOM 1362 OE1 GLU A 86 0.088 -3.846 3.015 1.00 2.91 O ATOM 1363 OE2 GLU A 86 1.841 -2.730 2.303 1.00 2.61 O ATOM 0 H GLU A 86 3.012 -4.907 -0.696 1.00 0.45 H new ATOM 0 HA GLU A 86 3.120 -7.509 0.566 1.00 0.45 H new ATOM 0 HB2 GLU A 86 1.556 -6.463 2.167 1.00 0.48 H new ATOM 0 HB3 GLU A 86 2.980 -5.471 1.927 1.00 0.48 H new ATOM 0 HG2 GLU A 86 1.626 -4.151 0.215 1.00 0.98 H new ATOM 0 HG3 GLU A 86 0.218 -5.032 0.773 1.00 0.98 H new ATOM 1370 N VAL A 87 0.438 -6.443 -1.069 1.00 0.44 N ATOM 1371 CA VAL A 87 -0.835 -6.840 -1.679 1.00 0.46 C ATOM 1372 C VAL A 87 -0.697 -7.738 -2.915 1.00 0.47 C ATOM 1373 O VAL A 87 -1.483 -8.666 -3.105 1.00 0.54 O ATOM 1374 CB VAL A 87 -1.658 -5.585 -2.058 1.00 0.54 C ATOM 1375 CG1 VAL A 87 -1.149 -4.936 -3.342 1.00 1.00 C ATOM 1376 CG2 VAL A 87 -3.123 -5.933 -2.183 1.00 0.81 C ATOM 0 H VAL A 87 0.672 -5.459 -1.203 1.00 0.44 H new ATOM 0 HA VAL A 87 -1.345 -7.433 -0.920 1.00 0.46 H new ATOM 0 HB VAL A 87 -1.535 -4.858 -1.256 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -1.755 -4.059 -3.571 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -0.110 -4.635 -3.210 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -1.219 -5.650 -4.163 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -3.688 -5.040 -2.450 1.00 0.81 H new ATOM 0 HG22 VAL A 87 -3.253 -6.689 -2.957 1.00 0.81 H new ATOM 0 HG23 VAL A 87 -3.487 -6.322 -1.232 1.00 0.81 H new ATOM 1386 N ARG A 88 0.294 -7.460 -3.745 1.00 0.50 N ATOM 1387 CA ARG A 88 0.490 -8.207 -4.990 1.00 0.52 C ATOM 1388 C ARG A 88 0.439 -9.723 -4.806 1.00 0.50 C ATOM 1389 O ARG A 88 -0.325 -10.408 -5.485 1.00 0.59 O ATOM 1390 CB ARG A 88 1.815 -7.807 -5.640 1.00 0.56 C ATOM 1391 CG ARG A 88 1.703 -7.540 -7.130 1.00 0.67 C ATOM 1392 CD ARG A 88 3.036 -7.109 -7.722 1.00 1.33 C ATOM 1393 NE ARG A 88 4.060 -8.139 -7.573 1.00 1.83 N ATOM 1394 CZ ARG A 88 5.302 -8.014 -8.031 1.00 2.72 C ATOM 1395 NH1 ARG A 88 5.668 -6.908 -8.664 1.00 3.25 N ATOM 1396 NH2 ARG A 88 6.178 -8.994 -7.857 1.00 3.50 N ATOM 0 H ARG A 88 0.980 -6.722 -3.585 1.00 0.50 H new ATOM 0 HA ARG A 88 -0.344 -7.944 -5.640 1.00 0.52 H new ATOM 0 HB2 ARG A 88 2.197 -6.913 -5.147 1.00 0.56 H new ATOM 0 HB3 ARG A 88 2.545 -8.599 -5.475 1.00 0.56 H new ATOM 0 HG2 ARG A 88 1.353 -8.440 -7.636 1.00 0.67 H new ATOM 0 HG3 ARG A 88 0.958 -6.764 -7.306 1.00 0.67 H new ATOM 0 HD2 ARG A 88 2.905 -6.878 -8.779 1.00 1.33 H new ATOM 0 HD3 ARG A 88 3.370 -6.193 -7.235 1.00 1.33 H new ATOM 0 HE ARG A 88 3.809 -9.002 -7.091 1.00 1.83 H new ATOM 0 HH11 ARG A 88 4.997 -6.152 -8.800 1.00 3.25 H new ATOM 0 HH12 ARG A 88 6.621 -6.813 -9.015 1.00 3.25 H new ATOM 0 HH21 ARG A 88 5.900 -9.846 -7.371 1.00 3.50 H new ATOM 0 HH22 ARG A 88 7.130 -8.895 -8.209 1.00 3.50 H new ATOM 1410 N LYS A 89 1.245 -10.244 -3.898 1.00 0.47 N ATOM 1411 CA LYS A 89 1.291 -11.682 -3.655 1.00 0.49 C ATOM 1412 C LYS A 89 0.159 -12.062 -2.742 1.00 0.49 C ATOM 1413 O LYS A 89 -0.435 -13.134 -2.864 1.00 0.55 O ATOM 1414 CB LYS A 89 2.629 -12.108 -3.045 1.00 0.56 C ATOM 1415 CG LYS A 89 3.067 -11.266 -1.859 1.00 0.70 C ATOM 1416 CD LYS A 89 4.279 -10.417 -2.217 1.00 1.55 C ATOM 1417 CE LYS A 89 4.049 -9.537 -3.439 1.00 2.44 C ATOM 1418 NZ LYS A 89 5.321 -8.981 -3.974 1.00 3.29 N ATOM 0 H LYS A 89 1.878 -9.696 -3.315 1.00 0.47 H new ATOM 0 HA LYS A 89 1.189 -12.199 -4.609 1.00 0.49 H new ATOM 0 HB2 LYS A 89 2.558 -13.149 -2.731 1.00 0.56 H new ATOM 0 HB3 LYS A 89 3.399 -12.060 -3.815 1.00 0.56 H new ATOM 0 HG2 LYS A 89 2.247 -10.622 -1.542 1.00 0.70 H new ATOM 0 HG3 LYS A 89 3.307 -11.914 -1.016 1.00 0.70 H new ATOM 0 HD2 LYS A 89 4.539 -9.787 -1.366 1.00 1.55 H new ATOM 0 HD3 LYS A 89 5.132 -11.070 -2.402 1.00 1.55 H new ATOM 0 HE2 LYS A 89 3.553 -10.118 -4.216 1.00 2.44 H new ATOM 0 HE3 LYS A 89 3.378 -8.719 -3.175 1.00 2.44 H new ATOM 0 HZ1 LYS A 89 5.146 -8.037 -4.374 1.00 3.29 H new ATOM 0 HZ2 LYS A 89 6.018 -8.908 -3.206 1.00 3.29 H new ATOM 0 HZ3 LYS A 89 5.689 -9.609 -4.717 1.00 3.29 H new ATOM 1432 N GLU A 90 -0.134 -11.161 -1.825 1.00 0.47 N ATOM 1433 CA GLU A 90 -1.207 -11.363 -0.895 1.00 0.52 C ATOM 1434 C GLU A 90 -2.523 -11.490 -1.656 1.00 0.55 C ATOM 1435 O GLU A 90 -3.497 -12.020 -1.141 1.00 0.62 O ATOM 1436 CB GLU A 90 -1.232 -10.216 0.123 1.00 0.55 C ATOM 1437 CG GLU A 90 -0.165 -10.359 1.199 1.00 0.62 C ATOM 1438 CD GLU A 90 -0.304 -11.635 2.002 1.00 1.26 C ATOM 1439 OE1 GLU A 90 -1.194 -11.694 2.875 1.00 1.97 O ATOM 1440 OE2 GLU A 90 0.482 -12.575 1.760 1.00 1.95 O ATOM 0 H GLU A 90 0.365 -10.279 -1.711 1.00 0.47 H new ATOM 0 HA GLU A 90 -1.057 -12.289 -0.339 1.00 0.52 H new ATOM 0 HB2 GLU A 90 -1.090 -9.270 -0.399 1.00 0.55 H new ATOM 0 HB3 GLU A 90 -2.214 -10.176 0.594 1.00 0.55 H new ATOM 0 HG2 GLU A 90 0.820 -10.335 0.732 1.00 0.62 H new ATOM 0 HG3 GLU A 90 -0.219 -9.504 1.873 1.00 0.62 H new ATOM 1447 N LYS A 91 -2.537 -11.034 -2.912 1.00 0.54 N ATOM 1448 CA LYS A 91 -3.737 -11.119 -3.727 1.00 0.61 C ATOM 1449 C LYS A 91 -4.308 -12.533 -3.719 1.00 0.63 C ATOM 1450 O LYS A 91 -5.449 -12.743 -3.332 1.00 0.70 O ATOM 1451 CB LYS A 91 -3.471 -10.631 -5.149 1.00 0.62 C ATOM 1452 CG LYS A 91 -2.793 -11.633 -6.066 1.00 0.61 C ATOM 1453 CD LYS A 91 -2.503 -11.031 -7.431 1.00 0.67 C ATOM 1454 CE LYS A 91 -1.832 -12.036 -8.352 1.00 0.70 C ATOM 1455 NZ LYS A 91 -1.496 -11.439 -9.674 1.00 1.38 N ATOM 0 H LYS A 91 -1.736 -10.607 -3.377 1.00 0.54 H new ATOM 0 HA LYS A 91 -4.487 -10.461 -3.289 1.00 0.61 H new ATOM 0 HB2 LYS A 91 -4.420 -10.338 -5.598 1.00 0.62 H new ATOM 0 HB3 LYS A 91 -2.853 -9.735 -5.098 1.00 0.62 H new ATOM 0 HG2 LYS A 91 -1.862 -11.972 -5.611 1.00 0.61 H new ATOM 0 HG3 LYS A 91 -3.429 -12.510 -6.182 1.00 0.61 H new ATOM 0 HD2 LYS A 91 -3.433 -10.686 -7.883 1.00 0.67 H new ATOM 0 HD3 LYS A 91 -1.862 -10.157 -7.316 1.00 0.67 H new ATOM 0 HE2 LYS A 91 -0.923 -12.410 -7.881 1.00 0.70 H new ATOM 0 HE3 LYS A 91 -2.491 -12.892 -8.497 1.00 0.70 H new ATOM 0 HZ1 LYS A 91 -1.040 -12.156 -10.273 1.00 1.38 H new ATOM 0 HZ2 LYS A 91 -2.366 -11.105 -10.135 1.00 1.38 H new ATOM 0 HZ3 LYS A 91 -0.847 -10.638 -9.538 1.00 1.38 H new ATOM 1469 N ALA A 92 -3.506 -13.495 -4.133 1.00 0.61 N ATOM 1470 CA ALA A 92 -3.930 -14.890 -4.174 1.00 0.66 C ATOM 1471 C ALA A 92 -3.813 -15.571 -2.818 1.00 0.64 C ATOM 1472 O ALA A 92 -4.585 -16.476 -2.512 1.00 0.70 O ATOM 1473 CB ALA A 92 -3.124 -15.647 -5.217 1.00 0.75 C ATOM 0 H ALA A 92 -2.549 -13.339 -4.449 1.00 0.61 H new ATOM 0 HA ALA A 92 -4.985 -14.903 -4.448 1.00 0.66 H new ATOM 0 HB1 ALA A 92 -3.447 -16.688 -5.241 1.00 0.75 H new ATOM 0 HB2 ALA A 92 -3.281 -15.195 -6.197 1.00 0.75 H new ATOM 0 HB3 ALA A 92 -2.065 -15.601 -4.962 1.00 0.75 H new ATOM 1479 N LEU A 93 -2.848 -15.154 -2.008 1.00 0.62 N ATOM 1480 CA LEU A 93 -2.672 -15.768 -0.696 1.00 0.66 C ATOM 1481 C LEU A 93 -3.661 -15.210 0.330 1.00 0.59 C ATOM 1482 O LEU A 93 -3.850 -15.794 1.397 1.00 0.64 O ATOM 1483 CB LEU A 93 -1.231 -15.619 -0.197 1.00 0.75 C ATOM 1484 CG LEU A 93 -0.986 -16.253 1.173 1.00 0.82 C ATOM 1485 CD1 LEU A 93 0.408 -16.858 1.241 1.00 1.03 C ATOM 1486 CD2 LEU A 93 -1.175 -15.229 2.282 1.00 0.95 C ATOM 0 H LEU A 93 -2.187 -14.409 -2.229 1.00 0.62 H new ATOM 0 HA LEU A 93 -2.881 -16.831 -0.813 1.00 0.66 H new ATOM 0 HB2 LEU A 93 -0.556 -16.072 -0.923 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -0.981 -14.559 -0.147 1.00 0.75 H new ATOM 0 HG LEU A 93 -1.716 -17.050 1.314 1.00 0.82 H new ATOM 0 HD11 LEU A 93 0.563 -17.304 2.223 1.00 1.03 H new ATOM 0 HD12 LEU A 93 0.509 -17.625 0.474 1.00 1.03 H new ATOM 0 HD13 LEU A 93 1.151 -16.078 1.075 1.00 1.03 H new ATOM 0 HD21 LEU A 93 -0.996 -15.701 3.248 1.00 0.95 H new ATOM 0 HD22 LEU A 93 -0.471 -14.408 2.143 1.00 0.95 H new ATOM 0 HD23 LEU A 93 -2.194 -14.842 2.251 1.00 0.95 H new ATOM 1498 N GLY A 94 -4.297 -14.087 0.005 1.00 0.53 N ATOM 1499 CA GLY A 94 -5.264 -13.489 0.912 1.00 0.52 C ATOM 1500 C GLY A 94 -6.371 -14.432 1.264 1.00 0.52 C ATOM 1501 O GLY A 94 -6.850 -14.443 2.396 1.00 0.57 O ATOM 0 H GLY A 94 -4.160 -13.580 -0.870 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -4.756 -13.172 1.823 1.00 0.52 H new ATOM 0 HA3 GLY A 94 -5.684 -12.594 0.453 1.00 0.52 H new ATOM 1505 N ILE A 95 -6.802 -15.196 0.278 1.00 0.54 N ATOM 1506 CA ILE A 95 -7.858 -16.165 0.474 1.00 0.57 C ATOM 1507 C ILE A 95 -7.396 -17.262 1.421 1.00 0.61 C ATOM 1508 O ILE A 95 -7.270 -18.420 1.033 1.00 0.67 O ATOM 1509 CB ILE A 95 -8.282 -16.785 -0.859 1.00 0.63 C ATOM 1510 CG1 ILE A 95 -9.472 -17.728 -0.661 1.00 1.32 C ATOM 1511 CG2 ILE A 95 -7.097 -17.483 -1.472 1.00 1.09 C ATOM 1512 CD1 ILE A 95 -9.892 -18.461 -1.916 1.00 1.68 C ATOM 0 H ILE A 95 -6.433 -15.162 -0.672 1.00 0.54 H new ATOM 0 HA ILE A 95 -8.714 -15.649 0.909 1.00 0.57 H new ATOM 0 HB ILE A 95 -8.614 -16.006 -1.545 1.00 0.63 H new ATOM 0 HG12 ILE A 95 -9.219 -18.459 0.107 1.00 1.32 H new ATOM 0 HG13 ILE A 95 -10.320 -17.153 -0.287 1.00 1.32 H new ATOM 0 HG21 ILE A 95 -7.389 -17.928 -2.423 1.00 1.09 H new ATOM 0 HG22 ILE A 95 -6.297 -16.762 -1.639 1.00 1.09 H new ATOM 0 HG23 ILE A 95 -6.746 -18.264 -0.798 1.00 1.09 H new ATOM 0 HD11 ILE A 95 -10.740 -19.108 -1.693 1.00 1.68 H new ATOM 0 HD12 ILE A 95 -10.178 -17.739 -2.681 1.00 1.68 H new ATOM 0 HD13 ILE A 95 -9.061 -19.065 -2.280 1.00 1.68 H new ATOM 1524 N ARG A 96 -7.131 -16.886 2.663 1.00 0.64 N ATOM 1525 CA ARG A 96 -6.690 -17.846 3.660 1.00 0.74 C ATOM 1526 C ARG A 96 -7.767 -18.898 3.811 1.00 0.82 C ATOM 1527 O ARG A 96 -7.495 -20.069 4.076 1.00 0.93 O ATOM 1528 CB ARG A 96 -6.425 -17.159 5.002 1.00 0.84 C ATOM 1529 CG ARG A 96 -5.411 -17.891 5.862 1.00 1.65 C ATOM 1530 CD ARG A 96 -3.993 -17.651 5.372 1.00 2.45 C ATOM 1531 NE ARG A 96 -3.547 -16.287 5.641 1.00 2.91 N ATOM 1532 CZ ARG A 96 -2.276 -15.904 5.591 1.00 3.85 C ATOM 1533 NH1 ARG A 96 -1.330 -16.778 5.274 1.00 4.47 N ATOM 1534 NH2 ARG A 96 -1.949 -14.647 5.857 1.00 4.48 N ATOM 0 H ARG A 96 -7.213 -15.928 3.002 1.00 0.64 H new ATOM 0 HA ARG A 96 -5.756 -18.306 3.338 1.00 0.74 H new ATOM 0 HB2 ARG A 96 -6.071 -16.145 4.819 1.00 0.84 H new ATOM 0 HB3 ARG A 96 -7.363 -17.075 5.551 1.00 0.84 H new ATOM 0 HG2 ARG A 96 -5.501 -17.559 6.896 1.00 1.65 H new ATOM 0 HG3 ARG A 96 -5.626 -18.960 5.851 1.00 1.65 H new ATOM 0 HD2 ARG A 96 -3.317 -18.356 5.856 1.00 2.45 H new ATOM 0 HD3 ARG A 96 -3.941 -17.845 4.301 1.00 2.45 H new ATOM 0 HE ARG A 96 -4.251 -15.589 5.881 1.00 2.91 H new ATOM 0 HH11 ARG A 96 -1.578 -17.746 5.068 1.00 4.47 H new ATOM 0 HH12 ARG A 96 -0.355 -16.482 5.236 1.00 4.47 H new ATOM 0 HH21 ARG A 96 -2.674 -13.972 6.101 1.00 4.48 H new ATOM 0 HH22 ARG A 96 -0.972 -14.355 5.818 1.00 4.48 H new ATOM 1548 N LYS A 97 -9.003 -18.449 3.635 1.00 0.83 N ATOM 1549 CA LYS A 97 -10.152 -19.322 3.705 1.00 0.95 C ATOM 1550 C LYS A 97 -10.399 -19.965 2.344 1.00 0.94 C ATOM 1551 O LYS A 97 -11.229 -19.501 1.568 1.00 0.98 O ATOM 1552 CB LYS A 97 -11.386 -18.533 4.173 1.00 1.06 C ATOM 1553 CG LYS A 97 -11.680 -17.243 3.392 1.00 0.99 C ATOM 1554 CD LYS A 97 -12.775 -17.460 2.364 1.00 1.56 C ATOM 1555 CE LYS A 97 -12.328 -16.990 0.997 1.00 1.85 C ATOM 1556 NZ LYS A 97 -13.420 -16.301 0.255 1.00 2.92 N ATOM 0 H LYS A 97 -9.229 -17.474 3.441 1.00 0.83 H new ATOM 0 HA LYS A 97 -9.960 -20.114 4.429 1.00 0.95 H new ATOM 0 HB2 LYS A 97 -12.258 -19.184 4.108 1.00 1.06 H new ATOM 0 HB3 LYS A 97 -11.256 -18.279 5.225 1.00 1.06 H new ATOM 0 HG2 LYS A 97 -11.979 -16.456 4.084 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -10.773 -16.902 2.894 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -13.037 -18.517 2.323 1.00 1.56 H new ATOM 0 HD3 LYS A 97 -13.674 -16.920 2.663 1.00 1.56 H new ATOM 0 HE2 LYS A 97 -11.481 -16.312 1.106 1.00 1.85 H new ATOM 0 HE3 LYS A 97 -11.979 -17.844 0.417 1.00 1.85 H new ATOM 0 HZ1 LYS A 97 -13.016 -15.766 -0.540 1.00 2.92 H new ATOM 0 HZ2 LYS A 97 -14.091 -17.007 -0.109 1.00 2.92 H new ATOM 0 HZ3 LYS A 97 -13.917 -15.649 0.895 1.00 2.92 H new ATOM 1570 N LYS A 98 -9.667 -21.039 2.063 1.00 0.97 N ATOM 1571 CA LYS A 98 -9.805 -21.746 0.793 1.00 1.06 C ATOM 1572 C LYS A 98 -10.598 -23.036 0.976 1.00 1.22 C ATOM 1573 O LYS A 98 -11.840 -22.988 0.857 1.00 1.61 O ATOM 1574 CB LYS A 98 -8.426 -22.061 0.195 1.00 1.08 C ATOM 1575 CG LYS A 98 -7.566 -20.830 -0.065 1.00 1.07 C ATOM 1576 CD LYS A 98 -6.562 -21.070 -1.180 1.00 1.51 C ATOM 1577 CE LYS A 98 -7.160 -20.766 -2.546 1.00 2.00 C ATOM 1578 NZ LYS A 98 -8.424 -21.519 -2.779 1.00 2.74 N ATOM 1579 OXT LYS A 98 -9.970 -24.084 1.235 1.00 1.70 O ATOM 0 H LYS A 98 -8.974 -21.438 2.696 1.00 0.97 H new ATOM 0 HA LYS A 98 -10.346 -21.097 0.105 1.00 1.06 H new ATOM 0 HB2 LYS A 98 -7.892 -22.728 0.872 1.00 1.08 H new ATOM 0 HB3 LYS A 98 -8.563 -22.600 -0.742 1.00 1.08 H new ATOM 0 HG2 LYS A 98 -8.206 -19.988 -0.327 1.00 1.07 H new ATOM 0 HG3 LYS A 98 -7.037 -20.556 0.848 1.00 1.07 H new ATOM 0 HD2 LYS A 98 -5.683 -20.446 -1.020 1.00 1.51 H new ATOM 0 HD3 LYS A 98 -6.226 -22.107 -1.151 1.00 1.51 H new ATOM 0 HE2 LYS A 98 -7.354 -19.697 -2.627 1.00 2.00 H new ATOM 0 HE3 LYS A 98 -6.438 -21.019 -3.323 1.00 2.00 H new ATOM 0 HZ1 LYS A 98 -8.745 -21.364 -3.756 1.00 2.74 H new ATOM 0 HZ2 LYS A 98 -8.257 -22.534 -2.627 1.00 2.74 H new ATOM 0 HZ3 LYS A 98 -9.154 -21.185 -2.117 1.00 2.74 H new ATOM 1594 N MET B 1 19.022 -4.139 -1.920 1.00 0.65 N ATOM 1595 CA MET B 1 18.372 -5.451 -2.161 1.00 0.59 C ATOM 1596 C MET B 1 17.064 -5.278 -2.913 1.00 0.59 C ATOM 1597 O MET B 1 16.660 -4.159 -3.222 1.00 0.60 O ATOM 1598 CB MET B 1 18.116 -6.164 -0.835 1.00 0.58 C ATOM 1599 CG MET B 1 19.171 -7.205 -0.458 1.00 0.60 C ATOM 1600 SD MET B 1 20.861 -6.732 -0.918 1.00 0.94 S ATOM 1601 CE MET B 1 21.804 -8.112 -0.280 1.00 1.18 C ATOM 0 H1 MET B 1 20.003 -4.289 -1.608 1.00 0.65 H new ATOM 0 H2 MET B 1 19.020 -3.584 -2.799 1.00 0.65 H new ATOM 0 H3 MET B 1 18.500 -3.623 -1.183 1.00 0.65 H new ATOM 0 HA MET B 1 19.044 -6.055 -2.770 1.00 0.59 H new ATOM 0 HB2 MET B 1 18.060 -5.419 -0.042 1.00 0.58 H new ATOM 0 HB3 MET B 1 17.143 -6.653 -0.882 1.00 0.58 H new ATOM 0 HG2 MET B 1 19.131 -7.376 0.618 1.00 0.60 H new ATOM 0 HG3 MET B 1 18.924 -8.151 -0.941 1.00 0.60 H new ATOM 0 HE1 MET B 1 22.579 -8.385 -0.996 1.00 1.18 H new ATOM 0 HE2 MET B 1 22.267 -7.830 0.666 1.00 1.18 H new ATOM 0 HE3 MET B 1 21.141 -8.963 -0.121 1.00 1.18 H new ATOM 1613 N ALA B 2 16.419 -6.392 -3.232 1.00 0.61 N ATOM 1614 CA ALA B 2 15.162 -6.351 -3.964 1.00 0.64 C ATOM 1615 C ALA B 2 13.976 -6.838 -3.140 1.00 0.62 C ATOM 1616 O ALA B 2 13.996 -7.944 -2.601 1.00 0.71 O ATOM 1617 CB ALA B 2 15.270 -7.162 -5.243 1.00 0.72 C ATOM 0 H ALA B 2 16.744 -7.330 -2.997 1.00 0.61 H new ATOM 0 HA ALA B 2 14.976 -5.304 -4.203 1.00 0.64 H new ATOM 0 HB1 ALA B 2 14.322 -7.122 -5.780 1.00 0.72 H new ATOM 0 HB2 ALA B 2 16.060 -6.749 -5.870 1.00 0.72 H new ATOM 0 HB3 ALA B 2 15.505 -8.198 -4.998 1.00 0.72 H new ATOM 1623 N ALA B 3 12.939 -6.010 -3.051 1.00 0.73 N ATOM 1624 CA ALA B 3 11.723 -6.395 -2.348 1.00 0.75 C ATOM 1625 C ALA B 3 11.032 -7.475 -3.170 1.00 0.65 C ATOM 1626 O ALA B 3 10.233 -7.176 -4.057 1.00 0.81 O ATOM 1627 CB ALA B 3 10.811 -5.195 -2.160 1.00 1.04 C ATOM 0 H ALA B 3 12.918 -5.074 -3.455 1.00 0.73 H new ATOM 0 HA ALA B 3 11.965 -6.776 -1.356 1.00 0.75 H new ATOM 0 HB1 ALA B 3 9.908 -5.503 -1.633 1.00 1.04 H new ATOM 0 HB2 ALA B 3 11.328 -4.432 -1.578 1.00 1.04 H new ATOM 0 HB3 ALA B 3 10.541 -4.787 -3.134 1.00 1.04 H new ATOM 1633 N GLU B 4 11.352 -8.731 -2.882 1.00 0.62 N ATOM 1634 CA GLU B 4 10.801 -9.850 -3.635 1.00 0.75 C ATOM 1635 C GLU B 4 9.297 -10.012 -3.413 1.00 0.74 C ATOM 1636 O GLU B 4 8.490 -9.454 -4.156 1.00 0.86 O ATOM 1637 CB GLU B 4 11.514 -11.148 -3.252 1.00 0.97 C ATOM 1638 CG GLU B 4 12.892 -11.333 -3.851 1.00 1.45 C ATOM 1639 CD GLU B 4 13.019 -10.797 -5.266 1.00 2.42 C ATOM 1640 OE1 GLU B 4 13.289 -9.588 -5.420 1.00 3.20 O ATOM 1641 OE2 GLU B 4 12.853 -11.589 -6.217 1.00 3.02 O ATOM 0 H GLU B 4 11.990 -9.000 -2.133 1.00 0.62 H new ATOM 0 HA GLU B 4 10.962 -9.634 -4.691 1.00 0.75 H new ATOM 0 HB2 GLU B 4 11.600 -11.189 -2.166 1.00 0.97 H new ATOM 0 HB3 GLU B 4 10.889 -11.989 -3.554 1.00 0.97 H new ATOM 0 HG2 GLU B 4 13.624 -10.835 -3.216 1.00 1.45 H new ATOM 0 HG3 GLU B 4 13.139 -12.395 -3.850 1.00 1.45 H new ATOM 1648 N THR B 5 8.923 -10.781 -2.390 1.00 0.70 N ATOM 1649 CA THR B 5 7.523 -11.030 -2.097 1.00 0.75 C ATOM 1650 C THR B 5 6.924 -9.933 -1.222 1.00 0.62 C ATOM 1651 O THR B 5 6.474 -8.909 -1.734 1.00 0.79 O ATOM 1652 CB THR B 5 7.346 -12.413 -1.431 1.00 0.92 C ATOM 1653 OG1 THR B 5 7.727 -13.439 -2.351 1.00 1.42 O ATOM 1654 CG2 THR B 5 5.921 -12.669 -0.965 1.00 1.08 C ATOM 0 H THR B 5 9.575 -11.240 -1.754 1.00 0.70 H new ATOM 0 HA THR B 5 6.984 -11.025 -3.044 1.00 0.75 H new ATOM 0 HB THR B 5 7.985 -12.423 -0.548 1.00 0.92 H new ATOM 0 HG1 THR B 5 7.410 -13.207 -3.249 1.00 1.42 H new ATOM 0 HG21 THR B 5 5.860 -13.656 -0.506 1.00 1.08 H new ATOM 0 HG22 THR B 5 5.635 -11.911 -0.236 1.00 1.08 H new ATOM 0 HG23 THR B 5 5.245 -12.624 -1.819 1.00 1.08 H new ATOM 1662 N LEU B 6 6.930 -10.127 0.087 1.00 0.54 N ATOM 1663 CA LEU B 6 6.327 -9.156 0.987 1.00 0.50 C ATOM 1664 C LEU B 6 7.363 -8.331 1.732 1.00 0.49 C ATOM 1665 O LEU B 6 8.100 -8.856 2.564 1.00 0.56 O ATOM 1666 CB LEU B 6 5.447 -9.876 2.009 1.00 0.60 C ATOM 1667 CG LEU B 6 4.278 -10.677 1.436 1.00 0.75 C ATOM 1668 CD1 LEU B 6 4.478 -12.164 1.684 1.00 1.15 C ATOM 1669 CD2 LEU B 6 2.966 -10.208 2.044 1.00 1.07 C ATOM 0 H LEU B 6 7.341 -10.939 0.547 1.00 0.54 H new ATOM 0 HA LEU B 6 5.734 -8.478 0.372 1.00 0.50 H new ATOM 0 HB2 LEU B 6 6.076 -10.552 2.589 1.00 0.60 H new ATOM 0 HB3 LEU B 6 5.049 -9.136 2.703 1.00 0.60 H new ATOM 0 HG LEU B 6 4.240 -10.510 0.360 1.00 0.75 H new ATOM 0 HD11 LEU B 6 3.636 -12.718 1.269 1.00 1.15 H new ATOM 0 HD12 LEU B 6 5.400 -12.492 1.204 1.00 1.15 H new ATOM 0 HD13 LEU B 6 4.541 -12.349 2.756 1.00 1.15 H new ATOM 0 HD21 LEU B 6 2.143 -10.788 1.626 1.00 1.07 H new ATOM 0 HD22 LEU B 6 2.996 -10.347 3.125 1.00 1.07 H new ATOM 0 HD23 LEU B 6 2.817 -9.152 1.818 1.00 1.07 H new ATOM 1681 N THR B 7 7.421 -7.039 1.436 1.00 0.50 N ATOM 1682 CA THR B 7 8.340 -6.168 2.144 1.00 0.53 C ATOM 1683 C THR B 7 7.697 -5.760 3.455 1.00 0.48 C ATOM 1684 O THR B 7 6.525 -6.045 3.683 1.00 0.55 O ATOM 1685 CB THR B 7 8.733 -4.906 1.338 1.00 0.60 C ATOM 1686 OG1 THR B 7 8.082 -4.916 0.067 1.00 0.83 O ATOM 1687 CG2 THR B 7 10.248 -4.805 1.132 1.00 0.80 C ATOM 0 H THR B 7 6.853 -6.581 0.724 1.00 0.50 H new ATOM 0 HA THR B 7 9.263 -6.724 2.309 1.00 0.53 H new ATOM 0 HB THR B 7 8.413 -4.039 1.916 1.00 0.60 H new ATOM 0 HG1 THR B 7 8.453 -4.205 -0.496 1.00 0.83 H new ATOM 0 HG21 THR B 7 10.478 -3.905 0.562 1.00 0.80 H new ATOM 0 HG22 THR B 7 10.745 -4.758 2.101 1.00 0.80 H new ATOM 0 HG23 THR B 7 10.600 -5.680 0.586 1.00 0.80 H new ATOM 1695 N GLU B 8 8.453 -5.088 4.311 1.00 0.46 N ATOM 1696 CA GLU B 8 7.942 -4.662 5.614 1.00 0.45 C ATOM 1697 C GLU B 8 6.504 -4.138 5.530 1.00 0.41 C ATOM 1698 O GLU B 8 5.748 -4.221 6.499 1.00 0.42 O ATOM 1699 CB GLU B 8 8.835 -3.573 6.198 1.00 0.50 C ATOM 1700 CG GLU B 8 10.306 -3.954 6.278 1.00 0.52 C ATOM 1701 CD GLU B 8 10.540 -5.228 7.067 1.00 1.09 C ATOM 1702 OE1 GLU B 8 10.718 -5.137 8.300 1.00 1.94 O ATOM 1703 OE2 GLU B 8 10.547 -6.315 6.453 1.00 1.67 O ATOM 0 H GLU B 8 9.422 -4.824 4.131 1.00 0.46 H new ATOM 0 HA GLU B 8 7.946 -5.540 6.260 1.00 0.45 H new ATOM 0 HB2 GLU B 8 8.736 -2.673 5.592 1.00 0.50 H new ATOM 0 HB3 GLU B 8 8.480 -3.324 7.198 1.00 0.50 H new ATOM 0 HG2 GLU B 8 10.700 -4.079 5.269 1.00 0.52 H new ATOM 0 HG3 GLU B 8 10.863 -3.139 6.739 1.00 0.52 H new ATOM 1710 N LEU B 9 6.134 -3.599 4.372 1.00 0.41 N ATOM 1711 CA LEU B 9 4.786 -3.050 4.180 1.00 0.40 C ATOM 1712 C LEU B 9 3.712 -4.090 4.463 1.00 0.38 C ATOM 1713 O LEU B 9 2.583 -3.738 4.804 1.00 0.40 O ATOM 1714 CB LEU B 9 4.579 -2.508 2.762 1.00 0.46 C ATOM 1715 CG LEU B 9 5.844 -2.123 2.008 1.00 0.58 C ATOM 1716 CD1 LEU B 9 6.276 -3.260 1.112 1.00 0.93 C ATOM 1717 CD2 LEU B 9 5.620 -0.866 1.205 1.00 0.93 C ATOM 0 H LEU B 9 6.740 -3.528 3.555 1.00 0.41 H new ATOM 0 HA LEU B 9 4.696 -2.228 4.891 1.00 0.40 H new ATOM 0 HB2 LEU B 9 4.047 -3.260 2.180 1.00 0.46 H new ATOM 0 HB3 LEU B 9 3.932 -1.633 2.819 1.00 0.46 H new ATOM 0 HG LEU B 9 6.637 -1.926 2.729 1.00 0.58 H new ATOM 0 HD11 LEU B 9 7.182 -2.977 0.576 1.00 0.93 H new ATOM 0 HD12 LEU B 9 6.474 -4.145 1.717 1.00 0.93 H new ATOM 0 HD13 LEU B 9 5.484 -3.480 0.396 1.00 0.93 H new ATOM 0 HD21 LEU B 9 6.535 -0.606 0.673 1.00 0.93 H new ATOM 0 HD22 LEU B 9 4.817 -1.031 0.487 1.00 0.93 H new ATOM 0 HD23 LEU B 9 5.346 -0.051 1.874 1.00 0.93 H new ATOM 1729 N GLU B 10 4.047 -5.369 4.326 1.00 0.38 N ATOM 1730 CA GLU B 10 3.073 -6.418 4.600 1.00 0.39 C ATOM 1731 C GLU B 10 2.563 -6.251 6.020 1.00 0.38 C ATOM 1732 O GLU B 10 1.424 -6.586 6.330 1.00 0.40 O ATOM 1733 CB GLU B 10 3.684 -7.803 4.405 1.00 0.45 C ATOM 1734 CG GLU B 10 5.103 -7.905 4.931 1.00 0.45 C ATOM 1735 CD GLU B 10 5.264 -9.006 5.960 1.00 0.55 C ATOM 1736 OE1 GLU B 10 5.546 -10.155 5.561 1.00 1.16 O ATOM 1737 OE2 GLU B 10 5.113 -8.719 7.166 1.00 1.26 O ATOM 0 H GLU B 10 4.966 -5.699 4.033 1.00 0.38 H new ATOM 0 HA GLU B 10 2.243 -6.330 3.898 1.00 0.39 H new ATOM 0 HB2 GLU B 10 3.062 -8.543 4.909 1.00 0.45 H new ATOM 0 HB3 GLU B 10 3.677 -8.051 3.344 1.00 0.45 H new ATOM 0 HG2 GLU B 10 5.783 -8.088 4.099 1.00 0.45 H new ATOM 0 HG3 GLU B 10 5.392 -6.952 5.375 1.00 0.45 H new ATOM 1744 N ALA B 11 3.430 -5.736 6.886 1.00 0.39 N ATOM 1745 CA ALA B 11 3.049 -5.464 8.260 1.00 0.39 C ATOM 1746 C ALA B 11 2.070 -4.308 8.253 1.00 0.36 C ATOM 1747 O ALA B 11 1.146 -4.244 9.063 1.00 0.39 O ATOM 1748 CB ALA B 11 4.269 -5.136 9.107 1.00 0.42 C ATOM 0 H ALA B 11 4.396 -5.501 6.658 1.00 0.39 H new ATOM 0 HA ALA B 11 2.583 -6.346 8.699 1.00 0.39 H new ATOM 0 HB1 ALA B 11 3.957 -4.936 10.132 1.00 0.42 H new ATOM 0 HB2 ALA B 11 4.958 -5.981 9.095 1.00 0.42 H new ATOM 0 HB3 ALA B 11 4.768 -4.256 8.701 1.00 0.42 H new ATOM 1754 N ALA B 12 2.292 -3.392 7.313 1.00 0.33 N ATOM 1755 CA ALA B 12 1.422 -2.247 7.144 1.00 0.32 C ATOM 1756 C ALA B 12 0.075 -2.712 6.624 1.00 0.33 C ATOM 1757 O ALA B 12 -0.950 -2.077 6.870 1.00 0.34 O ATOM 1758 CB ALA B 12 2.043 -1.237 6.192 1.00 0.34 C ATOM 0 H ALA B 12 3.073 -3.427 6.657 1.00 0.33 H new ATOM 0 HA ALA B 12 1.285 -1.757 8.108 1.00 0.32 H new ATOM 0 HB1 ALA B 12 1.373 -0.384 6.079 1.00 0.34 H new ATOM 0 HB2 ALA B 12 2.998 -0.898 6.594 1.00 0.34 H new ATOM 0 HB3 ALA B 12 2.204 -1.704 5.220 1.00 0.34 H new ATOM 1764 N ILE B 13 0.081 -3.834 5.897 1.00 0.36 N ATOM 1765 CA ILE B 13 -1.154 -4.389 5.372 1.00 0.40 C ATOM 1766 C ILE B 13 -2.150 -4.575 6.525 1.00 0.39 C ATOM 1767 O ILE B 13 -3.365 -4.552 6.331 1.00 0.42 O ATOM 1768 CB ILE B 13 -0.914 -5.731 4.610 1.00 0.47 C ATOM 1769 CG1 ILE B 13 -1.859 -5.828 3.405 1.00 0.90 C ATOM 1770 CG2 ILE B 13 -1.075 -6.960 5.508 1.00 0.99 C ATOM 1771 CD1 ILE B 13 -3.306 -6.052 3.785 1.00 2.05 C ATOM 0 H ILE B 13 0.921 -4.365 5.665 1.00 0.36 H new ATOM 0 HA ILE B 13 -1.568 -3.692 4.644 1.00 0.40 H new ATOM 0 HB ILE B 13 0.121 -5.723 4.268 1.00 0.47 H new ATOM 0 HG12 ILE B 13 -1.784 -4.911 2.820 1.00 0.90 H new ATOM 0 HG13 ILE B 13 -1.531 -6.644 2.762 1.00 0.90 H new ATOM 0 HG21 ILE B 13 -0.897 -7.863 4.924 1.00 0.99 H new ATOM 0 HG22 ILE B 13 -0.357 -6.909 6.326 1.00 0.99 H new ATOM 0 HG23 ILE B 13 -2.086 -6.984 5.914 1.00 0.99 H new ATOM 0 HD11 ILE B 13 -3.914 -6.110 2.882 1.00 2.05 H new ATOM 0 HD12 ILE B 13 -3.395 -6.984 4.344 1.00 2.05 H new ATOM 0 HD13 ILE B 13 -3.652 -5.224 4.403 1.00 2.05 H new ATOM 1783 N GLU B 14 -1.596 -4.749 7.731 1.00 0.39 N ATOM 1784 CA GLU B 14 -2.385 -4.944 8.941 1.00 0.42 C ATOM 1785 C GLU B 14 -3.218 -3.710 9.280 1.00 0.38 C ATOM 1786 O GLU B 14 -4.379 -3.832 9.670 1.00 0.46 O ATOM 1787 CB GLU B 14 -1.469 -5.288 10.116 1.00 0.46 C ATOM 1788 CG GLU B 14 -0.710 -6.592 9.933 1.00 0.79 C ATOM 1789 CD GLU B 14 0.195 -6.910 11.107 1.00 1.46 C ATOM 1790 OE1 GLU B 14 1.332 -6.393 11.137 1.00 2.25 O ATOM 1791 OE2 GLU B 14 -0.231 -7.678 11.996 1.00 2.02 O ATOM 0 H GLU B 14 -0.588 -4.758 7.889 1.00 0.39 H new ATOM 0 HA GLU B 14 -3.071 -5.771 8.756 1.00 0.42 H new ATOM 0 HB2 GLU B 14 -0.754 -4.478 10.258 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -2.066 -5.349 11.026 1.00 0.46 H new ATOM 0 HG2 GLU B 14 -1.422 -7.406 9.797 1.00 0.79 H new ATOM 0 HG3 GLU B 14 -0.112 -6.536 9.023 1.00 0.79 H new ATOM 1798 N THR B 15 -2.632 -2.520 9.146 1.00 0.30 N ATOM 1799 CA THR B 15 -3.346 -1.304 9.445 1.00 0.28 C ATOM 1800 C THR B 15 -4.478 -1.104 8.457 1.00 0.28 C ATOM 1801 O THR B 15 -5.638 -0.934 8.825 1.00 0.34 O ATOM 1802 CB THR B 15 -2.423 -0.082 9.366 1.00 0.28 C ATOM 1803 OG1 THR B 15 -1.230 -0.311 10.126 1.00 0.29 O ATOM 1804 CG2 THR B 15 -3.127 1.163 9.881 1.00 0.32 C ATOM 0 H THR B 15 -1.670 -2.385 8.834 1.00 0.30 H new ATOM 0 HA THR B 15 -3.736 -1.399 10.458 1.00 0.28 H new ATOM 0 HB THR B 15 -2.159 0.074 8.320 1.00 0.28 H new ATOM 0 HG1 THR B 15 -0.497 0.223 9.754 1.00 0.29 H new ATOM 0 HG21 THR B 15 -2.452 2.016 9.815 1.00 0.32 H new ATOM 0 HG22 THR B 15 -4.015 1.355 9.278 1.00 0.32 H new ATOM 0 HG23 THR B 15 -3.420 1.012 10.920 1.00 0.32 H new ATOM 1812 N VAL B 16 -4.104 -1.138 7.194 1.00 0.27 N ATOM 1813 CA VAL B 16 -5.028 -0.954 6.095 1.00 0.28 C ATOM 1814 C VAL B 16 -6.063 -2.071 6.011 1.00 0.30 C ATOM 1815 O VAL B 16 -7.196 -1.840 5.586 1.00 0.36 O ATOM 1816 CB VAL B 16 -4.251 -0.887 4.775 1.00 0.30 C ATOM 1817 CG1 VAL B 16 -3.447 -2.162 4.566 1.00 0.33 C ATOM 1818 CG2 VAL B 16 -5.195 -0.654 3.619 1.00 0.33 C ATOM 0 H VAL B 16 -3.140 -1.296 6.900 1.00 0.27 H new ATOM 0 HA VAL B 16 -5.562 -0.021 6.274 1.00 0.28 H new ATOM 0 HB VAL B 16 -3.556 -0.049 4.823 1.00 0.30 H new ATOM 0 HG11 VAL B 16 -2.901 -2.098 3.625 1.00 0.33 H new ATOM 0 HG12 VAL B 16 -2.741 -2.285 5.387 1.00 0.33 H new ATOM 0 HG13 VAL B 16 -4.122 -3.017 4.537 1.00 0.33 H new ATOM 0 HG21 VAL B 16 -4.628 -0.609 2.689 1.00 0.33 H new ATOM 0 HG22 VAL B 16 -5.914 -1.471 3.566 1.00 0.33 H new ATOM 0 HG23 VAL B 16 -5.725 0.287 3.766 1.00 0.33 H new ATOM 1828 N VAL B 17 -5.683 -3.276 6.410 1.00 0.31 N ATOM 1829 CA VAL B 17 -6.596 -4.405 6.346 1.00 0.33 C ATOM 1830 C VAL B 17 -7.567 -4.420 7.521 1.00 0.30 C ATOM 1831 O VAL B 17 -8.739 -4.760 7.364 1.00 0.33 O ATOM 1832 CB VAL B 17 -5.845 -5.750 6.288 1.00 0.43 C ATOM 1833 CG1 VAL B 17 -5.164 -6.048 7.612 1.00 0.45 C ATOM 1834 CG2 VAL B 17 -6.796 -6.872 5.905 1.00 0.50 C ATOM 0 H VAL B 17 -4.757 -3.495 6.778 1.00 0.31 H new ATOM 0 HA VAL B 17 -7.164 -4.280 5.424 1.00 0.33 H new ATOM 0 HB VAL B 17 -5.072 -5.678 5.523 1.00 0.43 H new ATOM 0 HG11 VAL B 17 -4.641 -7.002 7.546 1.00 0.45 H new ATOM 0 HG12 VAL B 17 -4.449 -5.257 7.839 1.00 0.45 H new ATOM 0 HG13 VAL B 17 -5.912 -6.099 8.403 1.00 0.45 H new ATOM 0 HG21 VAL B 17 -6.250 -7.815 5.868 1.00 0.50 H new ATOM 0 HG22 VAL B 17 -7.593 -6.942 6.646 1.00 0.50 H new ATOM 0 HG23 VAL B 17 -7.228 -6.665 4.926 1.00 0.50 H new ATOM 1844 N SER B 18 -7.074 -4.050 8.697 1.00 0.33 N ATOM 1845 CA SER B 18 -7.901 -4.041 9.898 1.00 0.40 C ATOM 1846 C SER B 18 -8.769 -2.788 9.989 1.00 0.44 C ATOM 1847 O SER B 18 -9.753 -2.758 10.726 1.00 0.59 O ATOM 1848 CB SER B 18 -7.022 -4.158 11.145 1.00 0.51 C ATOM 1849 OG SER B 18 -6.251 -5.347 11.116 1.00 1.32 O ATOM 0 H SER B 18 -6.109 -3.753 8.845 1.00 0.33 H new ATOM 0 HA SER B 18 -8.569 -4.901 9.839 1.00 0.40 H new ATOM 0 HB2 SER B 18 -6.361 -3.294 11.210 1.00 0.51 H new ATOM 0 HB3 SER B 18 -7.648 -4.148 12.037 1.00 0.51 H new ATOM 0 HG SER B 18 -5.416 -5.184 10.629 1.00 1.32 H new ATOM 1855 N THR B 19 -8.393 -1.739 9.278 1.00 0.37 N ATOM 1856 CA THR B 19 -9.172 -0.508 9.304 1.00 0.45 C ATOM 1857 C THR B 19 -10.336 -0.517 8.317 1.00 0.46 C ATOM 1858 O THR B 19 -11.474 -0.817 8.677 1.00 0.53 O ATOM 1859 CB THR B 19 -8.302 0.736 9.041 1.00 0.45 C ATOM 1860 OG1 THR B 19 -7.671 0.650 7.755 1.00 0.42 O ATOM 1861 CG2 THR B 19 -7.249 0.896 10.127 1.00 0.49 C ATOM 0 H THR B 19 -7.565 -1.711 8.683 1.00 0.37 H new ATOM 0 HA THR B 19 -9.579 -0.456 10.314 1.00 0.45 H new ATOM 0 HB THR B 19 -8.953 1.610 9.054 1.00 0.45 H new ATOM 0 HG1 THR B 19 -6.903 0.043 7.807 1.00 0.42 H new ATOM 0 HG21 THR B 19 -6.646 1.780 9.922 1.00 0.49 H new ATOM 0 HG22 THR B 19 -7.738 1.007 11.095 1.00 0.49 H new ATOM 0 HG23 THR B 19 -6.607 0.015 10.144 1.00 0.49 H new ATOM 1869 N PHE B 20 -10.029 -0.180 7.072 1.00 0.45 N ATOM 1870 CA PHE B 20 -11.022 -0.083 6.018 1.00 0.53 C ATOM 1871 C PHE B 20 -11.456 -1.435 5.470 1.00 0.53 C ATOM 1872 O PHE B 20 -12.641 -1.657 5.220 1.00 0.68 O ATOM 1873 CB PHE B 20 -10.433 0.784 4.909 1.00 0.60 C ATOM 1874 CG PHE B 20 -11.203 0.771 3.631 1.00 0.72 C ATOM 1875 CD1 PHE B 20 -12.582 0.788 3.640 1.00 1.59 C ATOM 1876 CD2 PHE B 20 -10.536 0.746 2.421 1.00 1.26 C ATOM 1877 CE1 PHE B 20 -13.288 0.778 2.459 1.00 1.77 C ATOM 1878 CE2 PHE B 20 -11.235 0.736 1.237 1.00 1.37 C ATOM 1879 CZ PHE B 20 -12.613 0.753 1.255 1.00 1.18 C ATOM 0 H PHE B 20 -9.080 0.034 6.766 1.00 0.45 H new ATOM 0 HA PHE B 20 -11.926 0.363 6.433 1.00 0.53 H new ATOM 0 HB2 PHE B 20 -10.366 1.812 5.267 1.00 0.60 H new ATOM 0 HB3 PHE B 20 -9.415 0.450 4.707 1.00 0.60 H new ATOM 0 HD1 PHE B 20 -13.112 0.809 4.581 1.00 1.59 H new ATOM 0 HD2 PHE B 20 -9.456 0.734 2.405 1.00 1.26 H new ATOM 0 HE1 PHE B 20 -14.368 0.790 2.474 1.00 1.77 H new ATOM 0 HE2 PHE B 20 -10.706 0.715 0.296 1.00 1.37 H new ATOM 0 HZ PHE B 20 -13.165 0.747 0.327 1.00 1.18 H new ATOM 1889 N PHE B 21 -10.510 -2.332 5.280 1.00 0.44 N ATOM 1890 CA PHE B 21 -10.820 -3.629 4.724 1.00 0.47 C ATOM 1891 C PHE B 21 -11.662 -4.505 5.656 1.00 0.49 C ATOM 1892 O PHE B 21 -12.044 -5.614 5.287 1.00 0.63 O ATOM 1893 CB PHE B 21 -9.540 -4.361 4.317 1.00 0.47 C ATOM 1894 CG PHE B 21 -8.656 -3.593 3.372 1.00 0.45 C ATOM 1895 CD1 PHE B 21 -9.064 -2.389 2.814 1.00 1.39 C ATOM 1896 CD2 PHE B 21 -7.404 -4.084 3.050 1.00 1.15 C ATOM 1897 CE1 PHE B 21 -8.233 -1.699 1.952 1.00 1.44 C ATOM 1898 CE2 PHE B 21 -6.574 -3.398 2.193 1.00 1.13 C ATOM 1899 CZ PHE B 21 -6.986 -2.205 1.643 1.00 0.53 C ATOM 0 H PHE B 21 -9.525 -2.186 5.502 1.00 0.44 H new ATOM 0 HA PHE B 21 -11.430 -3.443 3.840 1.00 0.47 H new ATOM 0 HB2 PHE B 21 -8.971 -4.598 5.216 1.00 0.47 H new ATOM 0 HB3 PHE B 21 -9.811 -5.309 3.852 1.00 0.47 H new ATOM 0 HD1 PHE B 21 -10.038 -1.989 3.055 1.00 1.39 H new ATOM 0 HD2 PHE B 21 -7.073 -5.019 3.477 1.00 1.15 H new ATOM 0 HE1 PHE B 21 -8.559 -0.764 1.520 1.00 1.44 H new ATOM 0 HE2 PHE B 21 -5.599 -3.796 1.952 1.00 1.13 H new ATOM 0 HZ PHE B 21 -6.335 -1.666 0.971 1.00 0.53 H new ATOM 1909 N THR B 22 -11.944 -4.030 6.853 1.00 0.48 N ATOM 1910 CA THR B 22 -12.767 -4.789 7.784 1.00 0.54 C ATOM 1911 C THR B 22 -14.268 -4.609 7.554 1.00 0.48 C ATOM 1912 O THR B 22 -15.075 -5.182 8.287 1.00 0.53 O ATOM 1913 CB THR B 22 -12.443 -4.406 9.226 1.00 0.65 C ATOM 1914 OG1 THR B 22 -12.635 -2.999 9.405 1.00 0.66 O ATOM 1915 CG2 THR B 22 -11.013 -4.789 9.541 1.00 0.81 C ATOM 0 H THR B 22 -11.620 -3.129 7.205 1.00 0.48 H new ATOM 0 HA THR B 22 -12.527 -5.836 7.602 1.00 0.54 H new ATOM 0 HB THR B 22 -13.108 -4.939 9.906 1.00 0.65 H new ATOM 0 HG1 THR B 22 -11.823 -2.521 9.134 1.00 0.66 H new ATOM 0 HG21 THR B 22 -10.781 -4.516 10.570 1.00 0.81 H new ATOM 0 HG22 THR B 22 -10.888 -5.864 9.414 1.00 0.81 H new ATOM 0 HG23 THR B 22 -10.338 -4.263 8.865 1.00 0.81 H new ATOM 1923 N PHE B 23 -14.659 -3.825 6.547 1.00 0.49 N ATOM 1924 CA PHE B 23 -16.084 -3.594 6.303 1.00 0.51 C ATOM 1925 C PHE B 23 -16.793 -4.771 5.600 1.00 0.44 C ATOM 1926 O PHE B 23 -17.966 -4.684 5.259 1.00 0.46 O ATOM 1927 CB PHE B 23 -16.295 -2.211 5.637 1.00 0.68 C ATOM 1928 CG PHE B 23 -16.406 -2.133 4.131 1.00 0.61 C ATOM 1929 CD1 PHE B 23 -17.487 -2.674 3.446 1.00 1.48 C ATOM 1930 CD2 PHE B 23 -15.433 -1.465 3.402 1.00 1.46 C ATOM 1931 CE1 PHE B 23 -17.581 -2.566 2.079 1.00 1.88 C ATOM 1932 CE2 PHE B 23 -15.530 -1.357 2.035 1.00 1.93 C ATOM 1933 CZ PHE B 23 -16.600 -1.914 1.376 1.00 1.83 C ATOM 0 H PHE B 23 -14.027 -3.350 5.902 1.00 0.49 H new ATOM 0 HA PHE B 23 -16.591 -3.557 7.267 1.00 0.51 H new ATOM 0 HB2 PHE B 23 -17.203 -1.778 6.057 1.00 0.68 H new ATOM 0 HB3 PHE B 23 -15.467 -1.570 5.940 1.00 0.68 H new ATOM 0 HD1 PHE B 23 -18.264 -3.186 3.995 1.00 1.48 H new ATOM 0 HD2 PHE B 23 -14.590 -1.025 3.914 1.00 1.46 H new ATOM 0 HE1 PHE B 23 -18.426 -2.994 1.559 1.00 1.88 H new ATOM 0 HE2 PHE B 23 -14.766 -0.835 1.479 1.00 1.93 H new ATOM 0 HZ PHE B 23 -16.669 -1.838 0.301 1.00 1.83 H new ATOM 1943 N ALA B 24 -16.107 -5.909 5.473 1.00 0.51 N ATOM 1944 CA ALA B 24 -16.712 -7.105 4.864 1.00 0.59 C ATOM 1945 C ALA B 24 -17.846 -7.607 5.722 1.00 0.61 C ATOM 1946 O ALA B 24 -18.748 -8.288 5.235 1.00 0.67 O ATOM 1947 CB ALA B 24 -15.687 -8.210 4.684 1.00 0.71 C ATOM 0 H ALA B 24 -15.142 -6.032 5.779 1.00 0.51 H new ATOM 0 HA ALA B 24 -17.092 -6.823 3.882 1.00 0.59 H new ATOM 0 HB1 ALA B 24 -16.165 -9.079 4.232 1.00 0.71 H new ATOM 0 HB2 ALA B 24 -14.884 -7.859 4.036 1.00 0.71 H new ATOM 0 HB3 ALA B 24 -15.275 -8.486 5.655 1.00 0.71 H new ATOM 1953 N GLY B 25 -17.805 -7.275 7.011 1.00 0.71 N ATOM 1954 CA GLY B 25 -18.870 -7.689 7.903 1.00 0.85 C ATOM 1955 C GLY B 25 -20.229 -7.430 7.282 1.00 0.74 C ATOM 1956 O GLY B 25 -21.213 -8.096 7.601 1.00 0.82 O ATOM 0 H GLY B 25 -17.060 -6.732 7.448 1.00 0.71 H new ATOM 0 HA2 GLY B 25 -18.767 -8.750 8.131 1.00 0.85 H new ATOM 0 HA3 GLY B 25 -18.789 -7.150 8.847 1.00 0.85 H new ATOM 1960 N ARG B 26 -20.267 -6.439 6.387 1.00 0.61 N ATOM 1961 CA ARG B 26 -21.475 -6.104 5.650 1.00 0.59 C ATOM 1962 C ARG B 26 -22.020 -7.364 4.998 1.00 0.58 C ATOM 1963 O ARG B 26 -23.194 -7.703 5.137 1.00 0.72 O ATOM 1964 CB ARG B 26 -21.151 -5.066 4.571 1.00 0.61 C ATOM 1965 CG ARG B 26 -22.305 -4.784 3.623 1.00 1.18 C ATOM 1966 CD ARG B 26 -23.212 -3.692 4.165 1.00 0.96 C ATOM 1967 NE ARG B 26 -23.983 -4.144 5.319 1.00 1.55 N ATOM 1968 CZ ARG B 26 -24.806 -3.359 6.007 1.00 1.95 C ATOM 1969 NH1 ARG B 26 -24.957 -2.089 5.661 1.00 2.01 N ATOM 1970 NH2 ARG B 26 -25.478 -3.846 7.041 1.00 2.82 N ATOM 0 H ARG B 26 -19.464 -5.853 6.158 1.00 0.61 H new ATOM 0 HA ARG B 26 -22.218 -5.689 6.331 1.00 0.59 H new ATOM 0 HB2 ARG B 26 -20.854 -4.135 5.054 1.00 0.61 H new ATOM 0 HB3 ARG B 26 -20.295 -5.412 3.993 1.00 0.61 H new ATOM 0 HG2 ARG B 26 -21.914 -4.485 2.650 1.00 1.18 H new ATOM 0 HG3 ARG B 26 -22.882 -5.696 3.469 1.00 1.18 H new ATOM 0 HD2 ARG B 26 -22.610 -2.828 4.447 1.00 0.96 H new ATOM 0 HD3 ARG B 26 -23.893 -3.364 3.380 1.00 0.96 H new ATOM 0 HE ARG B 26 -23.885 -5.116 5.614 1.00 1.55 H new ATOM 0 HH11 ARG B 26 -24.441 -1.712 4.866 1.00 2.01 H new ATOM 0 HH12 ARG B 26 -25.589 -1.488 6.190 1.00 2.01 H new ATOM 0 HH21 ARG B 26 -25.364 -4.824 7.309 1.00 2.82 H new ATOM 0 HH22 ARG B 26 -26.109 -3.243 7.569 1.00 2.82 H new ATOM 1984 N GLU B 27 -21.136 -8.046 4.284 1.00 0.50 N ATOM 1985 CA GLU B 27 -21.489 -9.296 3.615 1.00 0.57 C ATOM 1986 C GLU B 27 -21.328 -10.483 4.567 1.00 0.80 C ATOM 1987 O GLU B 27 -20.580 -10.415 5.542 1.00 1.26 O ATOM 1988 CB GLU B 27 -20.614 -9.502 2.378 1.00 0.97 C ATOM 1989 CG GLU B 27 -20.714 -8.372 1.368 1.00 0.85 C ATOM 1990 CD GLU B 27 -22.129 -8.166 0.864 1.00 1.10 C ATOM 1991 OE1 GLU B 27 -22.508 -8.826 -0.128 1.00 1.63 O ATOM 1992 OE2 GLU B 27 -22.858 -7.346 1.459 1.00 1.79 O ATOM 0 H GLU B 27 -20.167 -7.757 4.151 1.00 0.50 H new ATOM 0 HA GLU B 27 -22.533 -9.234 3.307 1.00 0.57 H new ATOM 0 HB2 GLU B 27 -19.575 -9.607 2.691 1.00 0.97 H new ATOM 0 HB3 GLU B 27 -20.897 -10.437 1.894 1.00 0.97 H new ATOM 0 HG2 GLU B 27 -20.356 -7.449 1.824 1.00 0.85 H new ATOM 0 HG3 GLU B 27 -20.059 -8.585 0.524 1.00 0.85 H new ATOM 1999 N GLY B 28 -22.041 -11.566 4.272 1.00 1.32 N ATOM 2000 CA GLY B 28 -21.993 -12.754 5.110 1.00 1.87 C ATOM 2001 C GLY B 28 -20.620 -13.389 5.200 1.00 1.35 C ATOM 2002 O GLY B 28 -19.842 -13.075 6.100 1.00 1.58 O ATOM 0 H GLY B 28 -22.656 -11.643 3.462 1.00 1.32 H new ATOM 0 HA2 GLY B 28 -22.327 -12.492 6.114 1.00 1.87 H new ATOM 0 HA3 GLY B 28 -22.697 -13.489 4.721 1.00 1.87 H new ATOM 2006 N ARG B 29 -20.328 -14.292 4.267 1.00 1.15 N ATOM 2007 CA ARG B 29 -19.050 -15.005 4.247 1.00 1.06 C ATOM 2008 C ARG B 29 -17.876 -14.094 4.599 1.00 1.14 C ATOM 2009 O ARG B 29 -17.987 -12.869 4.555 1.00 1.74 O ATOM 2010 CB ARG B 29 -18.816 -15.645 2.872 1.00 1.38 C ATOM 2011 CG ARG B 29 -17.432 -16.266 2.705 1.00 1.76 C ATOM 2012 CD ARG B 29 -17.265 -16.912 1.339 1.00 2.36 C ATOM 2013 NE ARG B 29 -18.056 -18.134 1.208 1.00 2.88 N ATOM 2014 CZ ARG B 29 -18.100 -18.865 0.100 1.00 3.58 C ATOM 2015 NH1 ARG B 29 -17.407 -18.495 -0.969 1.00 3.91 N ATOM 2016 NH2 ARG B 29 -18.836 -19.968 0.059 1.00 4.30 N ATOM 0 H ARG B 29 -20.962 -14.549 3.510 1.00 1.15 H new ATOM 0 HA ARG B 29 -19.106 -15.783 5.008 1.00 1.06 H new ATOM 0 HB2 ARG B 29 -19.571 -16.414 2.707 1.00 1.38 H new ATOM 0 HB3 ARG B 29 -18.959 -14.888 2.101 1.00 1.38 H new ATOM 0 HG2 ARG B 29 -16.670 -15.498 2.840 1.00 1.76 H new ATOM 0 HG3 ARG B 29 -17.272 -17.013 3.483 1.00 1.76 H new ATOM 0 HD2 ARG B 29 -17.562 -16.204 0.565 1.00 2.36 H new ATOM 0 HD3 ARG B 29 -16.213 -17.143 1.174 1.00 2.36 H new ATOM 0 HE ARG B 29 -18.604 -18.442 2.011 1.00 2.88 H new ATOM 0 HH11 ARG B 29 -16.839 -17.648 -0.941 1.00 3.91 H new ATOM 0 HH12 ARG B 29 -17.442 -19.058 -1.819 1.00 3.91 H new ATOM 0 HH21 ARG B 29 -19.369 -20.256 0.879 1.00 4.30 H new ATOM 0 HH22 ARG B 29 -18.869 -20.528 -0.793 1.00 4.30 H new ATOM 2030 N LYS B 30 -16.750 -14.711 4.942 1.00 1.05 N ATOM 2031 CA LYS B 30 -15.544 -13.973 5.290 1.00 1.49 C ATOM 2032 C LYS B 30 -14.618 -13.915 4.086 1.00 1.34 C ATOM 2033 O LYS B 30 -13.463 -14.336 4.148 1.00 1.66 O ATOM 2034 CB LYS B 30 -14.821 -14.646 6.455 1.00 2.04 C ATOM 2035 CG LYS B 30 -15.728 -14.958 7.635 1.00 2.66 C ATOM 2036 CD LYS B 30 -14.966 -15.628 8.767 1.00 3.51 C ATOM 2037 CE LYS B 30 -13.798 -14.775 9.235 1.00 4.01 C ATOM 2038 NZ LYS B 30 -13.055 -15.417 10.355 1.00 4.78 N ATOM 0 H LYS B 30 -16.649 -15.725 4.986 1.00 1.05 H new ATOM 0 HA LYS B 30 -15.826 -12.963 5.588 1.00 1.49 H new ATOM 0 HB2 LYS B 30 -14.365 -15.571 6.103 1.00 2.04 H new ATOM 0 HB3 LYS B 30 -14.011 -13.999 6.791 1.00 2.04 H new ATOM 0 HG2 LYS B 30 -16.183 -14.036 7.998 1.00 2.66 H new ATOM 0 HG3 LYS B 30 -16.540 -15.608 7.308 1.00 2.66 H new ATOM 0 HD2 LYS B 30 -15.641 -15.812 9.603 1.00 3.51 H new ATOM 0 HD3 LYS B 30 -14.599 -16.599 8.435 1.00 3.51 H new ATOM 0 HE2 LYS B 30 -13.118 -14.601 8.401 1.00 4.01 H new ATOM 0 HE3 LYS B 30 -14.166 -13.800 9.555 1.00 4.01 H new ATOM 0 HZ1 LYS B 30 -12.267 -14.804 10.645 1.00 4.78 H new ATOM 0 HZ2 LYS B 30 -13.697 -15.560 11.161 1.00 4.78 H new ATOM 0 HZ3 LYS B 30 -12.682 -16.336 10.042 1.00 4.78 H new ATOM 2052 N GLY B 31 -15.142 -13.386 2.991 1.00 0.96 N ATOM 2053 CA GLY B 31 -14.366 -13.274 1.768 1.00 0.88 C ATOM 2054 C GLY B 31 -13.908 -11.873 1.550 1.00 0.81 C ATOM 2055 O GLY B 31 -12.762 -11.554 1.815 1.00 0.85 O ATOM 0 H GLY B 31 -16.095 -13.030 2.925 1.00 0.96 H new ATOM 0 HA2 GLY B 31 -13.503 -13.938 1.819 1.00 0.88 H new ATOM 0 HA3 GLY B 31 -14.969 -13.599 0.920 1.00 0.88 H new ATOM 2059 N SER B 32 -14.795 -11.035 1.051 1.00 0.74 N ATOM 2060 CA SER B 32 -14.449 -9.652 0.815 1.00 0.71 C ATOM 2061 C SER B 32 -15.585 -8.721 1.122 1.00 0.70 C ATOM 2062 O SER B 32 -16.730 -9.125 1.322 1.00 0.75 O ATOM 2063 CB SER B 32 -14.059 -9.436 -0.636 1.00 0.69 C ATOM 2064 OG SER B 32 -14.000 -8.057 -0.955 1.00 1.09 O ATOM 0 H SER B 32 -15.752 -11.287 0.804 1.00 0.74 H new ATOM 0 HA SER B 32 -13.613 -9.432 1.479 1.00 0.71 H new ATOM 0 HB2 SER B 32 -13.090 -9.897 -0.826 1.00 0.69 H new ATOM 0 HB3 SER B 32 -14.781 -9.931 -1.286 1.00 0.69 H new ATOM 0 HG SER B 32 -13.340 -7.616 -0.380 1.00 1.09 H new ATOM 2070 N LEU B 33 -15.232 -7.460 1.154 1.00 0.72 N ATOM 2071 CA LEU B 33 -16.181 -6.411 1.336 1.00 0.74 C ATOM 2072 C LEU B 33 -16.399 -5.835 -0.029 1.00 0.57 C ATOM 2073 O LEU B 33 -15.539 -5.953 -0.900 1.00 0.53 O ATOM 2074 CB LEU B 33 -15.739 -5.324 2.306 1.00 1.00 C ATOM 2075 CG LEU B 33 -14.265 -5.242 2.603 1.00 1.19 C ATOM 2076 CD1 LEU B 33 -13.998 -4.000 3.412 1.00 1.93 C ATOM 2077 CD2 LEU B 33 -13.730 -6.436 3.367 1.00 1.69 C ATOM 0 H LEU B 33 -14.269 -7.139 1.053 1.00 0.72 H new ATOM 0 HA LEU B 33 -17.087 -6.817 1.786 1.00 0.74 H new ATOM 0 HB2 LEU B 33 -16.060 -4.361 1.908 1.00 1.00 H new ATOM 0 HB3 LEU B 33 -16.268 -5.472 3.247 1.00 1.00 H new ATOM 0 HG LEU B 33 -13.754 -5.222 1.641 1.00 1.19 H new ATOM 0 HD11 LEU B 33 -12.933 -3.931 3.632 1.00 1.93 H new ATOM 0 HD12 LEU B 33 -14.308 -3.123 2.845 1.00 1.93 H new ATOM 0 HD13 LEU B 33 -14.559 -4.046 4.345 1.00 1.93 H new ATOM 0 HD21 LEU B 33 -12.662 -6.306 3.544 1.00 1.69 H new ATOM 0 HD22 LEU B 33 -14.249 -6.519 4.322 1.00 1.69 H new ATOM 0 HD23 LEU B 33 -13.893 -7.343 2.785 1.00 1.69 H new ATOM 2089 N ASN B 34 -17.529 -5.238 -0.235 1.00 0.57 N ATOM 2090 CA ASN B 34 -17.852 -4.727 -1.544 1.00 0.47 C ATOM 2091 C ASN B 34 -17.827 -3.214 -1.572 1.00 0.41 C ATOM 2092 O ASN B 34 -16.755 -2.617 -1.626 1.00 0.56 O ATOM 2093 CB ASN B 34 -19.191 -5.314 -1.997 1.00 0.56 C ATOM 2094 CG ASN B 34 -19.038 -6.688 -2.619 1.00 1.38 C ATOM 2095 OD1 ASN B 34 -18.136 -7.448 -2.265 1.00 2.13 O ATOM 2096 ND2 ASN B 34 -19.923 -7.014 -3.554 1.00 2.12 N ATOM 0 H ASN B 34 -18.245 -5.089 0.476 1.00 0.57 H new ATOM 0 HA ASN B 34 -17.090 -5.042 -2.257 1.00 0.47 H new ATOM 0 HB2 ASN B 34 -19.864 -5.378 -1.142 1.00 0.56 H new ATOM 0 HB3 ASN B 34 -19.654 -4.641 -2.718 1.00 0.56 H new ATOM 0 HD21 ASN B 34 -19.871 -7.925 -4.010 1.00 2.12 H new ATOM 0 HD22 ASN B 34 -20.654 -6.353 -3.817 1.00 2.12 H new ATOM 2103 N ILE B 35 -18.983 -2.592 -1.607 1.00 0.53 N ATOM 2104 CA ILE B 35 -19.034 -1.149 -1.614 1.00 0.54 C ATOM 2105 C ILE B 35 -20.221 -0.609 -0.845 1.00 0.56 C ATOM 2106 O ILE B 35 -20.735 0.463 -1.154 1.00 0.63 O ATOM 2107 CB ILE B 35 -18.975 -0.555 -3.029 1.00 0.60 C ATOM 2108 CG1 ILE B 35 -19.479 -1.559 -4.076 1.00 0.70 C ATOM 2109 CG2 ILE B 35 -17.542 -0.134 -3.336 1.00 0.66 C ATOM 2110 CD1 ILE B 35 -20.867 -2.088 -3.791 1.00 1.04 C ATOM 0 H ILE B 35 -19.891 -3.056 -1.631 1.00 0.53 H new ATOM 0 HA ILE B 35 -18.132 -0.824 -1.095 1.00 0.54 H new ATOM 0 HB ILE B 35 -19.628 0.316 -3.073 1.00 0.60 H new ATOM 0 HG12 ILE B 35 -19.476 -1.081 -5.056 1.00 0.70 H new ATOM 0 HG13 ILE B 35 -18.784 -2.397 -4.127 1.00 0.70 H new ATOM 0 HG21 ILE B 35 -17.494 0.289 -4.340 1.00 0.66 H new ATOM 0 HG22 ILE B 35 -17.219 0.614 -2.612 1.00 0.66 H new ATOM 0 HG23 ILE B 35 -16.887 -1.003 -3.277 1.00 0.66 H new ATOM 0 HD11 ILE B 35 -21.156 -2.791 -4.572 1.00 1.04 H new ATOM 0 HD12 ILE B 35 -20.872 -2.595 -2.826 1.00 1.04 H new ATOM 0 HD13 ILE B 35 -21.575 -1.259 -3.769 1.00 1.04 H new ATOM 2122 N ASN B 36 -20.662 -1.364 0.145 1.00 0.59 N ATOM 2123 CA ASN B 36 -21.759 -0.932 0.989 1.00 0.63 C ATOM 2124 C ASN B 36 -21.205 -0.003 2.034 1.00 0.59 C ATOM 2125 O ASN B 36 -21.540 1.180 2.070 1.00 0.59 O ATOM 2126 CB ASN B 36 -22.458 -2.118 1.645 1.00 0.70 C ATOM 2127 CG ASN B 36 -22.957 -3.131 0.633 1.00 1.34 C ATOM 2128 OD1 ASN B 36 -22.236 -4.055 0.255 1.00 2.16 O ATOM 2129 ND2 ASN B 36 -24.197 -2.963 0.192 1.00 1.90 N ATOM 0 H ASN B 36 -20.277 -2.278 0.383 1.00 0.59 H new ATOM 0 HA ASN B 36 -22.505 -0.420 0.381 1.00 0.63 H new ATOM 0 HB2 ASN B 36 -21.768 -2.607 2.333 1.00 0.70 H new ATOM 0 HB3 ASN B 36 -23.299 -1.758 2.238 1.00 0.70 H new ATOM 0 HD21 ASN B 36 -24.589 -3.614 -0.488 1.00 1.90 H new ATOM 0 HD22 ASN B 36 -24.758 -2.183 0.533 1.00 1.90 H new ATOM 2136 N GLU B 37 -20.359 -0.533 2.904 1.00 0.58 N ATOM 2137 CA GLU B 37 -19.747 0.319 3.895 1.00 0.56 C ATOM 2138 C GLU B 37 -18.693 1.189 3.236 1.00 0.50 C ATOM 2139 O GLU B 37 -18.329 2.223 3.782 1.00 0.53 O ATOM 2140 CB GLU B 37 -19.162 -0.462 5.054 1.00 0.68 C ATOM 2141 CG GLU B 37 -20.011 -1.647 5.465 1.00 0.76 C ATOM 2142 CD GLU B 37 -19.632 -2.196 6.826 1.00 0.77 C ATOM 2143 OE1 GLU B 37 -18.741 -3.069 6.887 1.00 1.28 O ATOM 2144 OE2 GLU B 37 -20.226 -1.754 7.831 1.00 1.41 O ATOM 0 H GLU B 37 -20.091 -1.516 2.941 1.00 0.58 H new ATOM 0 HA GLU B 37 -20.527 0.952 4.318 1.00 0.56 H new ATOM 0 HB2 GLU B 37 -18.167 -0.814 4.781 1.00 0.68 H new ATOM 0 HB3 GLU B 37 -19.042 0.204 5.908 1.00 0.68 H new ATOM 0 HG2 GLU B 37 -21.060 -1.350 5.477 1.00 0.76 H new ATOM 0 HG3 GLU B 37 -19.911 -2.436 4.719 1.00 0.76 H new ATOM 2151 N PHE B 38 -18.187 0.786 2.051 1.00 0.47 N ATOM 2152 CA PHE B 38 -17.240 1.628 1.328 1.00 0.43 C ATOM 2153 C PHE B 38 -17.883 3.014 1.244 1.00 0.45 C ATOM 2154 O PHE B 38 -17.225 4.035 1.323 1.00 0.46 O ATOM 2155 CB PHE B 38 -16.983 1.075 -0.089 1.00 0.43 C ATOM 2156 CG PHE B 38 -15.812 1.683 -0.818 1.00 0.41 C ATOM 2157 CD1 PHE B 38 -15.679 3.052 -0.972 1.00 1.30 C ATOM 2158 CD2 PHE B 38 -14.837 0.860 -1.348 1.00 1.21 C ATOM 2159 CE1 PHE B 38 -14.588 3.585 -1.638 1.00 1.32 C ATOM 2160 CE2 PHE B 38 -13.747 1.383 -2.014 1.00 1.21 C ATOM 2161 CZ PHE B 38 -13.622 2.749 -2.160 1.00 0.46 C ATOM 0 H PHE B 38 -18.417 -0.096 1.593 1.00 0.47 H new ATOM 0 HA PHE B 38 -16.277 1.660 1.838 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -16.826 -0.001 -0.018 1.00 0.43 H new ATOM 0 HB3 PHE B 38 -17.881 1.227 -0.688 1.00 0.43 H new ATOM 0 HD1 PHE B 38 -16.434 3.711 -0.569 1.00 1.30 H new ATOM 0 HD2 PHE B 38 -14.929 -0.211 -1.239 1.00 1.21 H new ATOM 0 HE1 PHE B 38 -14.493 4.655 -1.749 1.00 1.32 H new ATOM 0 HE2 PHE B 38 -12.994 0.724 -2.420 1.00 1.21 H new ATOM 0 HZ PHE B 38 -12.771 3.163 -2.681 1.00 0.46 H new ATOM 2171 N LYS B 39 -19.216 3.001 1.142 1.00 0.49 N ATOM 2172 CA LYS B 39 -20.009 4.222 1.075 1.00 0.53 C ATOM 2173 C LYS B 39 -19.709 5.134 2.252 1.00 0.54 C ATOM 2174 O LYS B 39 -19.981 6.332 2.219 1.00 0.58 O ATOM 2175 CB LYS B 39 -21.493 3.872 1.043 1.00 0.62 C ATOM 2176 CG LYS B 39 -21.838 2.889 -0.046 1.00 0.68 C ATOM 2177 CD LYS B 39 -22.554 3.558 -1.206 1.00 0.70 C ATOM 2178 CE LYS B 39 -23.919 4.081 -0.790 1.00 1.49 C ATOM 2179 NZ LYS B 39 -24.671 4.646 -1.944 1.00 1.82 N ATOM 0 H LYS B 39 -19.769 2.145 1.104 1.00 0.49 H new ATOM 0 HA LYS B 39 -19.745 4.755 0.162 1.00 0.53 H new ATOM 0 HB2 LYS B 39 -21.784 3.456 2.007 1.00 0.62 H new ATOM 0 HB3 LYS B 39 -22.074 4.783 0.901 1.00 0.62 H new ATOM 0 HG2 LYS B 39 -20.927 2.413 -0.408 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -22.469 2.100 0.364 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -21.947 4.381 -1.584 1.00 0.70 H new ATOM 0 HD3 LYS B 39 -22.669 2.846 -2.023 1.00 0.70 H new ATOM 0 HE2 LYS B 39 -24.496 3.273 -0.341 1.00 1.49 H new ATOM 0 HE3 LYS B 39 -23.797 4.848 -0.026 1.00 1.49 H new ATOM 0 HZ1 LYS B 39 -25.596 4.992 -1.619 1.00 1.82 H new ATOM 0 HZ2 LYS B 39 -24.132 5.434 -2.357 1.00 1.82 H new ATOM 0 HZ3 LYS B 39 -24.810 3.907 -2.663 1.00 1.82 H new ATOM 2193 N GLU B 40 -19.186 4.543 3.307 1.00 0.53 N ATOM 2194 CA GLU B 40 -18.801 5.290 4.487 1.00 0.57 C ATOM 2195 C GLU B 40 -17.429 5.947 4.266 1.00 0.55 C ATOM 2196 O GLU B 40 -16.924 6.650 5.141 1.00 0.61 O ATOM 2197 CB GLU B 40 -18.764 4.355 5.712 1.00 0.61 C ATOM 2198 CG GLU B 40 -17.446 3.610 5.886 1.00 1.09 C ATOM 2199 CD GLU B 40 -17.609 2.260 6.554 1.00 1.91 C ATOM 2200 OE1 GLU B 40 -18.177 2.210 7.665 1.00 2.42 O ATOM 2201 OE2 GLU B 40 -17.164 1.251 5.965 1.00 2.62 O ATOM 0 H GLU B 40 -19.017 3.539 3.371 1.00 0.53 H new ATOM 0 HA GLU B 40 -19.535 6.074 4.672 1.00 0.57 H new ATOM 0 HB2 GLU B 40 -18.959 4.942 6.610 1.00 0.61 H new ATOM 0 HB3 GLU B 40 -19.571 3.628 5.625 1.00 0.61 H new ATOM 0 HG2 GLU B 40 -16.982 3.472 4.909 1.00 1.09 H new ATOM 0 HG3 GLU B 40 -16.765 4.222 6.478 1.00 1.09 H new ATOM 2208 N LEU B 41 -16.833 5.719 3.085 1.00 0.50 N ATOM 2209 CA LEU B 41 -15.529 6.255 2.779 1.00 0.50 C ATOM 2210 C LEU B 41 -15.632 7.696 2.346 1.00 0.55 C ATOM 2211 O LEU B 41 -15.615 8.579 3.178 1.00 0.63 O ATOM 2212 CB LEU B 41 -14.832 5.444 1.683 1.00 0.46 C ATOM 2213 CG LEU B 41 -14.509 3.984 1.981 1.00 0.44 C ATOM 2214 CD1 LEU B 41 -13.192 3.604 1.327 1.00 0.55 C ATOM 2215 CD2 LEU B 41 -14.466 3.699 3.480 1.00 0.66 C ATOM 0 H LEU B 41 -17.247 5.164 2.336 1.00 0.50 H new ATOM 0 HA LEU B 41 -14.934 6.192 3.690 1.00 0.50 H new ATOM 0 HB2 LEU B 41 -15.460 5.474 0.793 1.00 0.46 H new ATOM 0 HB3 LEU B 41 -13.899 5.950 1.433 1.00 0.46 H new ATOM 0 HG LEU B 41 -15.310 3.374 1.564 1.00 0.44 H new ATOM 0 HD11 LEU B 41 -12.966 2.560 1.543 1.00 0.55 H new ATOM 0 HD12 LEU B 41 -13.268 3.743 0.249 1.00 0.55 H new ATOM 0 HD13 LEU B 41 -12.395 4.236 1.719 1.00 0.55 H new ATOM 0 HD21 LEU B 41 -14.233 2.647 3.644 1.00 0.66 H new ATOM 0 HD22 LEU B 41 -13.699 4.318 3.946 1.00 0.66 H new ATOM 0 HD23 LEU B 41 -15.436 3.929 3.922 1.00 0.66 H new ATOM 2227 N ALA B 42 -15.793 7.931 1.044 1.00 0.55 N ATOM 2228 CA ALA B 42 -15.856 9.295 0.519 1.00 0.62 C ATOM 2229 C ALA B 42 -16.729 10.173 1.392 1.00 0.68 C ATOM 2230 O ALA B 42 -16.544 11.378 1.454 1.00 0.76 O ATOM 2231 CB ALA B 42 -16.363 9.303 -0.899 1.00 0.65 C ATOM 0 H ALA B 42 -15.882 7.200 0.338 1.00 0.55 H new ATOM 0 HA ALA B 42 -14.844 9.699 0.527 1.00 0.62 H new ATOM 0 HB1 ALA B 42 -16.401 10.329 -1.266 1.00 0.65 H new ATOM 0 HB2 ALA B 42 -15.693 8.717 -1.528 1.00 0.65 H new ATOM 0 HB3 ALA B 42 -17.363 8.870 -0.930 1.00 0.65 H new ATOM 2237 N THR B 43 -17.681 9.543 2.055 1.00 0.65 N ATOM 2238 CA THR B 43 -18.577 10.236 2.961 1.00 0.73 C ATOM 2239 C THR B 43 -17.806 10.875 4.122 1.00 0.78 C ATOM 2240 O THR B 43 -17.867 12.082 4.338 1.00 0.85 O ATOM 2241 CB THR B 43 -19.643 9.281 3.513 1.00 0.73 C ATOM 2242 OG1 THR B 43 -19.061 7.998 3.777 1.00 0.66 O ATOM 2243 CG2 THR B 43 -20.774 9.133 2.515 1.00 0.76 C ATOM 0 H THR B 43 -17.854 8.541 1.981 1.00 0.65 H new ATOM 0 HA THR B 43 -19.069 11.025 2.392 1.00 0.73 H new ATOM 0 HB THR B 43 -20.038 9.693 4.442 1.00 0.73 H new ATOM 0 HG1 THR B 43 -19.082 7.455 2.961 1.00 0.66 H new ATOM 0 HG21 THR B 43 -21.526 8.453 2.916 1.00 0.76 H new ATOM 0 HG22 THR B 43 -21.227 10.107 2.331 1.00 0.76 H new ATOM 0 HG23 THR B 43 -20.384 8.732 1.580 1.00 0.76 H new ATOM 2251 N GLN B 44 -17.139 10.035 4.902 1.00 0.76 N ATOM 2252 CA GLN B 44 -16.315 10.483 6.028 1.00 0.84 C ATOM 2253 C GLN B 44 -14.912 10.883 5.565 1.00 0.83 C ATOM 2254 O GLN B 44 -14.192 11.595 6.262 1.00 0.92 O ATOM 2255 CB GLN B 44 -16.227 9.357 7.054 1.00 0.87 C ATOM 2256 CG GLN B 44 -15.236 9.621 8.175 1.00 1.54 C ATOM 2257 CD GLN B 44 -15.159 8.478 9.169 1.00 2.04 C ATOM 2258 OE1 GLN B 44 -14.359 7.556 9.009 1.00 2.53 O ATOM 2259 NE2 GLN B 44 -15.991 8.534 10.203 1.00 2.74 N ATOM 0 H GLN B 44 -17.151 9.023 4.776 1.00 0.76 H new ATOM 0 HA GLN B 44 -16.778 11.362 6.476 1.00 0.84 H new ATOM 0 HB2 GLN B 44 -17.214 9.195 7.486 1.00 0.87 H new ATOM 0 HB3 GLN B 44 -15.947 8.435 6.544 1.00 0.87 H new ATOM 0 HG2 GLN B 44 -14.248 9.793 7.748 1.00 1.54 H new ATOM 0 HG3 GLN B 44 -15.520 10.534 8.698 1.00 1.54 H new ATOM 0 HE21 GLN B 44 -16.638 9.317 10.296 1.00 2.74 H new ATOM 0 HE22 GLN B 44 -15.983 7.794 10.904 1.00 2.74 H new ATOM 2268 N GLN B 45 -14.532 10.367 4.406 1.00 0.79 N ATOM 2269 CA GLN B 45 -13.246 10.622 3.788 1.00 0.82 C ATOM 2270 C GLN B 45 -13.238 11.944 3.041 1.00 0.78 C ATOM 2271 O GLN B 45 -12.240 12.664 3.089 1.00 0.79 O ATOM 2272 CB GLN B 45 -12.943 9.501 2.814 1.00 0.93 C ATOM 2273 CG GLN B 45 -12.694 8.177 3.502 1.00 0.95 C ATOM 2274 CD GLN B 45 -11.551 7.405 2.891 1.00 1.37 C ATOM 2275 OE1 GLN B 45 -10.881 6.650 3.593 1.00 2.35 O ATOM 2276 NE2 GLN B 45 -11.329 7.586 1.580 1.00 1.45 N ATOM 0 H GLN B 45 -15.126 9.745 3.858 1.00 0.79 H new ATOM 0 HA GLN B 45 -12.491 10.672 4.572 1.00 0.82 H new ATOM 0 HB2 GLN B 45 -13.777 9.393 2.120 1.00 0.93 H new ATOM 0 HB3 GLN B 45 -12.068 9.767 2.221 1.00 0.93 H new ATOM 0 HG2 GLN B 45 -12.483 8.355 4.557 1.00 0.95 H new ATOM 0 HG3 GLN B 45 -13.600 7.573 3.456 1.00 0.95 H new ATOM 0 HE21 GLN B 45 -11.918 8.226 1.047 1.00 1.45 H new ATOM 0 HE22 GLN B 45 -10.572 7.084 1.117 1.00 1.45 H new ATOM 2285 N LEU B 46 -14.364 12.284 2.368 1.00 0.78 N ATOM 2286 CA LEU B 46 -14.428 13.521 1.573 1.00 0.78 C ATOM 2287 C LEU B 46 -13.714 14.654 2.280 1.00 0.74 C ATOM 2288 O LEU B 46 -13.048 15.455 1.623 1.00 0.75 O ATOM 2289 CB LEU B 46 -15.853 13.928 1.124 1.00 0.83 C ATOM 2290 CG LEU B 46 -16.976 13.869 2.158 1.00 1.04 C ATOM 2291 CD1 LEU B 46 -17.027 15.146 2.982 1.00 1.25 C ATOM 2292 CD2 LEU B 46 -18.310 13.634 1.464 1.00 1.30 C ATOM 0 H LEU B 46 -15.220 11.729 2.362 1.00 0.78 H new ATOM 0 HA LEU B 46 -13.903 13.300 0.644 1.00 0.78 H new ATOM 0 HB2 LEU B 46 -15.804 14.948 0.742 1.00 0.83 H new ATOM 0 HB3 LEU B 46 -16.135 13.288 0.288 1.00 0.83 H new ATOM 0 HG LEU B 46 -16.775 13.039 2.835 1.00 1.04 H new ATOM 0 HD11 LEU B 46 -17.835 15.077 3.710 1.00 1.25 H new ATOM 0 HD12 LEU B 46 -16.079 15.281 3.503 1.00 1.25 H new ATOM 0 HD13 LEU B 46 -17.203 15.997 2.324 1.00 1.25 H new ATOM 0 HD21 LEU B 46 -19.105 13.593 2.208 1.00 1.30 H new ATOM 0 HD22 LEU B 46 -18.506 14.449 0.768 1.00 1.30 H new ATOM 0 HD23 LEU B 46 -18.275 12.691 0.918 1.00 1.30 H new ATOM 2304 N PRO B 47 -13.861 14.815 3.607 1.00 0.78 N ATOM 2305 CA PRO B 47 -13.080 15.807 4.277 1.00 0.80 C ATOM 2306 C PRO B 47 -11.802 15.169 4.771 1.00 0.77 C ATOM 2307 O PRO B 47 -11.716 14.708 5.910 1.00 0.82 O ATOM 2308 CB PRO B 47 -13.964 16.174 5.473 1.00 0.91 C ATOM 2309 CG PRO B 47 -15.094 15.175 5.478 1.00 0.95 C ATOM 2310 CD PRO B 47 -14.683 14.076 4.539 1.00 0.90 C ATOM 0 HA PRO B 47 -12.809 16.660 3.655 1.00 0.80 H new ATOM 0 HB2 PRO B 47 -13.399 16.128 6.404 1.00 0.91 H new ATOM 0 HB3 PRO B 47 -14.343 17.192 5.380 1.00 0.91 H new ATOM 0 HG2 PRO B 47 -15.266 14.786 6.482 1.00 0.95 H new ATOM 0 HG3 PRO B 47 -16.025 15.638 5.152 1.00 0.95 H new ATOM 0 HD2 PRO B 47 -14.128 13.286 5.044 1.00 0.90 H new ATOM 0 HD3 PRO B 47 -15.538 13.605 4.054 1.00 0.90 H new ATOM 2318 N HIS B 48 -10.829 15.141 3.913 1.00 0.73 N ATOM 2319 CA HIS B 48 -9.522 14.636 4.243 1.00 0.75 C ATOM 2320 C HIS B 48 -8.545 15.781 4.418 1.00 0.83 C ATOM 2321 O HIS B 48 -8.939 16.904 4.735 1.00 0.91 O ATOM 2322 CB HIS B 48 -9.120 13.636 3.184 1.00 0.73 C ATOM 2323 CG HIS B 48 -8.838 12.277 3.743 1.00 0.98 C ATOM 2324 ND1 HIS B 48 -9.833 11.359 4.007 1.00 1.86 N ATOM 2325 CD2 HIS B 48 -7.677 11.686 4.113 1.00 1.34 C ATOM 2326 CE1 HIS B 48 -9.298 10.267 4.521 1.00 2.02 C ATOM 2327 NE2 HIS B 48 -7.992 10.439 4.595 1.00 1.59 N ATOM 0 H HIS B 48 -10.916 15.471 2.952 1.00 0.73 H new ATOM 0 HA HIS B 48 -9.525 14.114 5.200 1.00 0.75 H new ATOM 0 HB2 HIS B 48 -9.915 13.560 2.442 1.00 0.73 H new ATOM 0 HB3 HIS B 48 -8.234 14.001 2.665 1.00 0.73 H new ATOM 0 HD2 HIS B 48 -6.688 12.115 4.042 1.00 1.34 H new ATOM 0 HE1 HIS B 48 -9.838 9.383 4.829 1.00 2.02 H new ATOM 0 HE2 HIS B 48 -7.324 9.756 4.952 1.00 1.59 H new ATOM 2336 N LEU B 49 -7.270 15.496 4.208 1.00 0.89 N ATOM 2337 CA LEU B 49 -6.263 16.534 4.239 1.00 1.00 C ATOM 2338 C LEU B 49 -6.260 17.216 2.870 1.00 0.98 C ATOM 2339 O LEU B 49 -6.895 18.253 2.679 1.00 1.02 O ATOM 2340 CB LEU B 49 -4.881 15.962 4.572 1.00 1.10 C ATOM 2341 CG LEU B 49 -4.703 15.493 6.016 1.00 1.62 C ATOM 2342 CD1 LEU B 49 -5.030 16.619 6.986 1.00 2.02 C ATOM 2343 CD2 LEU B 49 -5.574 14.278 6.294 1.00 2.44 C ATOM 0 H LEU B 49 -6.913 14.560 4.016 1.00 0.89 H new ATOM 0 HA LEU B 49 -6.496 17.256 5.022 1.00 1.00 H new ATOM 0 HB2 LEU B 49 -4.683 15.122 3.907 1.00 1.10 H new ATOM 0 HB3 LEU B 49 -4.129 16.722 4.358 1.00 1.10 H new ATOM 0 HG LEU B 49 -3.661 15.207 6.159 1.00 1.62 H new ATOM 0 HD11 LEU B 49 -4.898 16.268 8.009 1.00 2.02 H new ATOM 0 HD12 LEU B 49 -4.364 17.462 6.803 1.00 2.02 H new ATOM 0 HD13 LEU B 49 -6.063 16.935 6.841 1.00 2.02 H new ATOM 0 HD21 LEU B 49 -5.434 13.958 7.327 1.00 2.44 H new ATOM 0 HD22 LEU B 49 -6.621 14.536 6.133 1.00 2.44 H new ATOM 0 HD23 LEU B 49 -5.293 13.467 5.622 1.00 2.44 H new ATOM 2355 N LEU B 50 -5.536 16.617 1.923 1.00 0.98 N ATOM 2356 CA LEU B 50 -5.473 17.112 0.548 1.00 1.01 C ATOM 2357 C LEU B 50 -6.636 16.560 -0.296 1.00 0.92 C ATOM 2358 O LEU B 50 -6.590 16.604 -1.525 1.00 1.01 O ATOM 2359 CB LEU B 50 -4.132 16.723 -0.084 1.00 1.11 C ATOM 2360 CG LEU B 50 -3.841 17.347 -1.452 1.00 1.60 C ATOM 2361 CD1 LEU B 50 -3.970 18.860 -1.388 1.00 1.97 C ATOM 2362 CD2 LEU B 50 -2.452 16.951 -1.931 1.00 2.24 C ATOM 0 H LEU B 50 -4.979 15.778 2.087 1.00 0.98 H new ATOM 0 HA LEU B 50 -5.560 18.198 0.572 1.00 1.01 H new ATOM 0 HB2 LEU B 50 -3.332 17.004 0.601 1.00 1.11 H new ATOM 0 HB3 LEU B 50 -4.099 15.638 -0.185 1.00 1.11 H new ATOM 0 HG LEU B 50 -4.574 16.970 -2.165 1.00 1.60 H new ATOM 0 HD11 LEU B 50 -3.760 19.285 -2.369 1.00 1.97 H new ATOM 0 HD12 LEU B 50 -4.983 19.126 -1.087 1.00 1.97 H new ATOM 0 HD13 LEU B 50 -3.260 19.255 -0.662 1.00 1.97 H new ATOM 0 HD21 LEU B 50 -2.260 17.402 -2.904 1.00 2.24 H new ATOM 0 HD22 LEU B 50 -1.707 17.301 -1.216 1.00 2.24 H new ATOM 0 HD23 LEU B 50 -2.392 15.866 -2.016 1.00 2.24 H new ATOM 2374 N LYS B 51 -7.673 16.035 0.366 1.00 0.85 N ATOM 2375 CA LYS B 51 -8.823 15.442 -0.317 1.00 0.80 C ATOM 2376 C LYS B 51 -9.252 16.219 -1.545 1.00 0.89 C ATOM 2377 O LYS B 51 -8.860 17.365 -1.764 1.00 1.04 O ATOM 2378 CB LYS B 51 -10.022 15.342 0.624 1.00 0.95 C ATOM 2379 CG LYS B 51 -10.943 14.148 0.358 1.00 1.24 C ATOM 2380 CD LYS B 51 -10.188 12.856 0.150 1.00 2.12 C ATOM 2381 CE LYS B 51 -11.095 11.651 0.358 1.00 2.68 C ATOM 2382 NZ LYS B 51 -10.375 10.362 0.163 1.00 3.58 N ATOM 0 H LYS B 51 -7.737 16.010 1.384 1.00 0.85 H new ATOM 0 HA LYS B 51 -8.495 14.452 -0.633 1.00 0.80 H new ATOM 0 HB2 LYS B 51 -9.658 15.282 1.650 1.00 0.95 H new ATOM 0 HB3 LYS B 51 -10.606 16.259 0.546 1.00 0.95 H new ATOM 0 HG2 LYS B 51 -11.629 14.031 1.197 1.00 1.24 H new ATOM 0 HG3 LYS B 51 -11.550 14.354 -0.523 1.00 1.24 H new ATOM 0 HD2 LYS B 51 -9.772 12.832 -0.857 1.00 2.12 H new ATOM 0 HD3 LYS B 51 -9.348 12.807 0.843 1.00 2.12 H new ATOM 0 HE2 LYS B 51 -11.513 11.683 1.364 1.00 2.68 H new ATOM 0 HE3 LYS B 51 -11.933 11.705 -0.337 1.00 2.68 H new ATOM 0 HZ1 LYS B 51 -10.823 9.827 -0.608 1.00 3.58 H new ATOM 0 HZ2 LYS B 51 -9.382 10.552 -0.080 1.00 3.58 H new ATOM 0 HZ3 LYS B 51 -10.416 9.805 1.040 1.00 3.58 H new ATOM 2396 N ASP B 52 -10.090 15.564 -2.324 1.00 0.92 N ATOM 2397 CA ASP B 52 -10.644 16.137 -3.535 1.00 1.17 C ATOM 2398 C ASP B 52 -12.169 16.153 -3.455 1.00 1.24 C ATOM 2399 O ASP B 52 -12.851 16.249 -4.476 1.00 1.47 O ATOM 2400 CB ASP B 52 -10.187 15.336 -4.756 1.00 1.29 C ATOM 2401 CG ASP B 52 -8.689 15.421 -4.974 1.00 1.87 C ATOM 2402 OD1 ASP B 52 -8.235 16.395 -5.611 1.00 2.61 O ATOM 2403 OD2 ASP B 52 -7.969 14.511 -4.510 1.00 2.35 O ATOM 0 H ASP B 52 -10.408 14.614 -2.134 1.00 0.92 H new ATOM 0 HA ASP B 52 -10.286 17.161 -3.636 1.00 1.17 H new ATOM 0 HB2 ASP B 52 -10.475 14.292 -4.631 1.00 1.29 H new ATOM 0 HB3 ASP B 52 -10.702 15.705 -5.643 1.00 1.29 H new ATOM 2408 N VAL B 53 -12.699 16.046 -2.230 1.00 1.14 N ATOM 2409 CA VAL B 53 -14.143 16.049 -2.011 1.00 1.27 C ATOM 2410 C VAL B 53 -14.860 15.122 -2.988 1.00 1.24 C ATOM 2411 O VAL B 53 -15.431 15.560 -3.987 1.00 1.46 O ATOM 2412 CB VAL B 53 -14.736 17.474 -2.092 1.00 1.58 C ATOM 2413 CG1 VAL B 53 -14.338 18.168 -3.387 1.00 2.18 C ATOM 2414 CG2 VAL B 53 -16.250 17.443 -1.937 1.00 1.92 C ATOM 0 H VAL B 53 -12.146 15.956 -1.378 1.00 1.14 H new ATOM 0 HA VAL B 53 -14.305 15.674 -1.000 1.00 1.27 H new ATOM 0 HB VAL B 53 -14.321 18.051 -1.266 1.00 1.58 H new ATOM 0 HG11 VAL B 53 -14.771 19.168 -3.412 1.00 2.18 H new ATOM 0 HG12 VAL B 53 -13.252 18.242 -3.441 1.00 2.18 H new ATOM 0 HG13 VAL B 53 -14.705 17.592 -4.236 1.00 2.18 H new ATOM 0 HG21 VAL B 53 -16.643 18.458 -1.998 1.00 1.92 H new ATOM 0 HG22 VAL B 53 -16.685 16.837 -2.732 1.00 1.92 H new ATOM 0 HG23 VAL B 53 -16.508 17.011 -0.970 1.00 1.92 H new ATOM 2424 N GLY B 54 -14.817 13.833 -2.679 1.00 1.06 N ATOM 2425 CA GLY B 54 -15.461 12.829 -3.503 1.00 1.09 C ATOM 2426 C GLY B 54 -16.846 13.224 -3.949 1.00 1.13 C ATOM 2427 O GLY B 54 -17.717 13.522 -3.132 1.00 1.23 O ATOM 0 H GLY B 54 -14.339 13.460 -1.858 1.00 1.06 H new ATOM 0 HA2 GLY B 54 -14.844 12.639 -4.381 1.00 1.09 H new ATOM 0 HA3 GLY B 54 -15.519 11.894 -2.946 1.00 1.09 H new ATOM 2431 N SER B 55 -17.029 13.262 -5.256 1.00 1.16 N ATOM 2432 CA SER B 55 -18.309 13.597 -5.839 1.00 1.24 C ATOM 2433 C SER B 55 -19.208 12.368 -5.839 1.00 1.10 C ATOM 2434 O SER B 55 -18.729 11.244 -5.977 1.00 1.09 O ATOM 2435 CB SER B 55 -18.096 14.107 -7.254 1.00 1.40 C ATOM 2436 OG SER B 55 -17.979 13.034 -8.171 1.00 1.62 O ATOM 0 H SER B 55 -16.297 13.062 -5.938 1.00 1.16 H new ATOM 0 HA SER B 55 -18.792 14.378 -5.252 1.00 1.24 H new ATOM 0 HB2 SER B 55 -18.930 14.747 -7.543 1.00 1.40 H new ATOM 0 HB3 SER B 55 -17.196 14.721 -7.291 1.00 1.40 H new ATOM 0 HG SER B 55 -17.711 13.381 -9.048 1.00 1.62 H new ATOM 2442 N LEU B 56 -20.506 12.578 -5.684 1.00 1.15 N ATOM 2443 CA LEU B 56 -21.448 11.465 -5.652 1.00 1.10 C ATOM 2444 C LEU B 56 -21.223 10.506 -6.813 1.00 0.98 C ATOM 2445 O LEU B 56 -21.127 9.295 -6.613 1.00 0.97 O ATOM 2446 CB LEU B 56 -22.891 11.978 -5.668 1.00 1.28 C ATOM 2447 CG LEU B 56 -23.368 12.622 -4.365 1.00 2.03 C ATOM 2448 CD1 LEU B 56 -24.708 13.312 -4.570 1.00 2.61 C ATOM 2449 CD2 LEU B 56 -23.470 11.578 -3.264 1.00 2.83 C ATOM 0 H LEU B 56 -20.931 13.499 -5.579 1.00 1.15 H new ATOM 0 HA LEU B 56 -21.275 10.919 -4.725 1.00 1.10 H new ATOM 0 HB2 LEU B 56 -22.992 12.706 -6.473 1.00 1.28 H new ATOM 0 HB3 LEU B 56 -23.553 11.146 -5.907 1.00 1.28 H new ATOM 0 HG LEU B 56 -22.638 13.373 -4.064 1.00 2.03 H new ATOM 0 HD11 LEU B 56 -25.032 13.764 -3.633 1.00 2.61 H new ATOM 0 HD12 LEU B 56 -24.606 14.086 -5.330 1.00 2.61 H new ATOM 0 HD13 LEU B 56 -25.448 12.580 -4.894 1.00 2.61 H new ATOM 0 HD21 LEU B 56 -23.811 12.052 -2.343 1.00 2.83 H new ATOM 0 HD22 LEU B 56 -24.181 10.806 -3.559 1.00 2.83 H new ATOM 0 HD23 LEU B 56 -22.492 11.126 -3.099 1.00 2.83 H new ATOM 2461 N ASP B 57 -21.133 11.040 -8.026 1.00 1.00 N ATOM 2462 CA ASP B 57 -20.919 10.201 -9.198 1.00 1.01 C ATOM 2463 C ASP B 57 -19.750 9.270 -8.995 1.00 0.95 C ATOM 2464 O ASP B 57 -19.875 8.049 -9.084 1.00 0.97 O ATOM 2465 CB ASP B 57 -20.667 11.035 -10.437 1.00 1.15 C ATOM 2466 CG ASP B 57 -21.944 11.580 -11.046 1.00 1.69 C ATOM 2467 OD1 ASP B 57 -22.551 10.878 -11.883 1.00 2.19 O ATOM 2468 OD2 ASP B 57 -22.339 12.709 -10.686 1.00 2.48 O ATOM 0 H ASP B 57 -21.204 12.038 -8.222 1.00 1.00 H new ATOM 0 HA ASP B 57 -21.829 9.618 -9.337 1.00 1.01 H new ATOM 0 HB2 ASP B 57 -20.007 11.865 -10.183 1.00 1.15 H new ATOM 0 HB3 ASP B 57 -20.146 10.429 -11.178 1.00 1.15 H new ATOM 2473 N GLU B 58 -18.615 9.869 -8.717 1.00 0.94 N ATOM 2474 CA GLU B 58 -17.388 9.121 -8.477 1.00 0.95 C ATOM 2475 C GLU B 58 -17.657 8.080 -7.414 1.00 0.87 C ATOM 2476 O GLU B 58 -17.353 6.899 -7.579 1.00 0.90 O ATOM 2477 CB GLU B 58 -16.260 10.049 -8.018 1.00 0.98 C ATOM 2478 CG GLU B 58 -15.583 10.800 -9.156 1.00 1.44 C ATOM 2479 CD GLU B 58 -16.552 11.609 -9.995 1.00 1.80 C ATOM 2480 OE1 GLU B 58 -17.432 10.999 -10.639 1.00 2.29 O ATOM 2481 OE2 GLU B 58 -16.426 12.851 -10.017 1.00 2.42 O ATOM 0 H GLU B 58 -18.509 10.881 -8.650 1.00 0.94 H new ATOM 0 HA GLU B 58 -17.074 8.644 -9.405 1.00 0.95 H new ATOM 0 HB2 GLU B 58 -16.662 10.771 -7.307 1.00 0.98 H new ATOM 0 HB3 GLU B 58 -15.512 9.461 -7.487 1.00 0.98 H new ATOM 0 HG2 GLU B 58 -14.825 11.466 -8.743 1.00 1.44 H new ATOM 0 HG3 GLU B 58 -15.065 10.086 -9.797 1.00 1.44 H new ATOM 2488 N LYS B 59 -18.259 8.546 -6.331 1.00 0.81 N ATOM 2489 CA LYS B 59 -18.610 7.687 -5.226 1.00 0.76 C ATOM 2490 C LYS B 59 -19.580 6.605 -5.676 1.00 0.80 C ATOM 2491 O LYS B 59 -19.660 5.539 -5.069 1.00 0.79 O ATOM 2492 CB LYS B 59 -19.220 8.522 -4.096 1.00 0.75 C ATOM 2493 CG LYS B 59 -18.275 9.591 -3.578 1.00 0.75 C ATOM 2494 CD LYS B 59 -19.015 10.779 -2.990 1.00 1.14 C ATOM 2495 CE LYS B 59 -19.866 10.378 -1.801 1.00 1.95 C ATOM 2496 NZ LYS B 59 -20.690 11.510 -1.296 1.00 2.67 N ATOM 0 H LYS B 59 -18.514 9.525 -6.200 1.00 0.81 H new ATOM 0 HA LYS B 59 -17.708 7.199 -4.857 1.00 0.76 H new ATOM 0 HB2 LYS B 59 -20.135 8.995 -4.453 1.00 0.75 H new ATOM 0 HB3 LYS B 59 -19.501 7.863 -3.275 1.00 0.75 H new ATOM 0 HG2 LYS B 59 -17.623 9.159 -2.818 1.00 0.75 H new ATOM 0 HG3 LYS B 59 -17.634 9.931 -4.391 1.00 0.75 H new ATOM 0 HD2 LYS B 59 -18.297 11.539 -2.683 1.00 1.14 H new ATOM 0 HD3 LYS B 59 -19.648 11.228 -3.755 1.00 1.14 H new ATOM 0 HE2 LYS B 59 -20.519 9.553 -2.085 1.00 1.95 H new ATOM 0 HE3 LYS B 59 -19.222 10.014 -1.001 1.00 1.95 H new ATOM 0 HZ1 LYS B 59 -21.584 11.144 -0.910 1.00 2.67 H new ATOM 0 HZ2 LYS B 59 -20.170 12.011 -0.548 1.00 2.67 H new ATOM 0 HZ3 LYS B 59 -20.893 12.167 -2.076 1.00 2.67 H new ATOM 2510 N MET B 60 -20.327 6.898 -6.736 1.00 0.86 N ATOM 2511 CA MET B 60 -21.298 5.953 -7.281 1.00 0.92 C ATOM 2512 C MET B 60 -20.651 4.926 -8.208 1.00 0.96 C ATOM 2513 O MET B 60 -20.822 3.721 -8.030 1.00 1.01 O ATOM 2514 CB MET B 60 -22.398 6.706 -8.034 1.00 1.00 C ATOM 2515 CG MET B 60 -23.417 7.365 -7.117 1.00 1.01 C ATOM 2516 SD MET B 60 -24.663 8.301 -8.023 1.00 1.74 S ATOM 2517 CE MET B 60 -25.721 8.845 -6.683 1.00 2.31 C ATOM 0 H MET B 60 -20.279 7.785 -7.237 1.00 0.86 H new ATOM 0 HA MET B 60 -21.728 5.411 -6.438 1.00 0.92 H new ATOM 0 HB2 MET B 60 -21.940 7.469 -8.663 1.00 1.00 H new ATOM 0 HB3 MET B 60 -22.913 6.012 -8.698 1.00 1.00 H new ATOM 0 HG2 MET B 60 -23.909 6.599 -6.517 1.00 1.01 H new ATOM 0 HG3 MET B 60 -22.901 8.030 -6.425 1.00 1.01 H new ATOM 0 HE1 MET B 60 -26.522 9.468 -7.082 1.00 2.31 H new ATOM 0 HE2 MET B 60 -26.151 7.977 -6.184 1.00 2.31 H new ATOM 0 HE3 MET B 60 -25.135 9.422 -5.968 1.00 2.31 H new ATOM 2527 N LYS B 61 -19.916 5.410 -9.199 1.00 0.97 N ATOM 2528 CA LYS B 61 -19.268 4.536 -10.170 1.00 1.02 C ATOM 2529 C LYS B 61 -18.174 3.707 -9.527 1.00 0.96 C ATOM 2530 O LYS B 61 -18.282 2.484 -9.452 1.00 0.92 O ATOM 2531 CB LYS B 61 -18.729 5.356 -11.338 1.00 1.09 C ATOM 2532 CG LYS B 61 -17.676 4.659 -12.184 1.00 1.55 C ATOM 2533 CD LYS B 61 -16.984 5.634 -13.125 1.00 2.08 C ATOM 2534 CE LYS B 61 -16.129 4.907 -14.151 1.00 2.60 C ATOM 2535 NZ LYS B 61 -16.952 4.062 -15.060 1.00 3.16 N ATOM 0 H LYS B 61 -19.753 6.405 -9.353 1.00 0.97 H new ATOM 0 HA LYS B 61 -20.013 3.839 -10.553 1.00 1.02 H new ATOM 0 HB2 LYS B 61 -19.563 5.635 -11.981 1.00 1.09 H new ATOM 0 HB3 LYS B 61 -18.305 6.281 -10.947 1.00 1.09 H new ATOM 0 HG2 LYS B 61 -16.936 4.191 -11.534 1.00 1.55 H new ATOM 0 HG3 LYS B 61 -18.142 3.861 -12.763 1.00 1.55 H new ATOM 0 HD2 LYS B 61 -17.732 6.240 -13.637 1.00 2.08 H new ATOM 0 HD3 LYS B 61 -16.360 6.317 -12.548 1.00 2.08 H new ATOM 0 HE2 LYS B 61 -15.570 5.635 -14.739 1.00 2.60 H new ATOM 0 HE3 LYS B 61 -15.398 4.283 -13.638 1.00 2.60 H new ATOM 0 HZ1 LYS B 61 -16.414 3.859 -15.927 1.00 3.16 H new ATOM 0 HZ2 LYS B 61 -17.190 3.169 -14.583 1.00 3.16 H new ATOM 0 HZ3 LYS B 61 -17.827 4.567 -15.306 1.00 3.16 H new ATOM 2549 N THR B 62 -17.117 4.367 -9.055 1.00 0.99 N ATOM 2550 CA THR B 62 -16.018 3.658 -8.407 1.00 0.96 C ATOM 2551 C THR B 62 -16.565 2.637 -7.415 1.00 0.87 C ATOM 2552 O THR B 62 -15.927 1.629 -7.118 1.00 0.84 O ATOM 2553 CB THR B 62 -15.063 4.626 -7.686 1.00 1.03 C ATOM 2554 OG1 THR B 62 -14.482 5.524 -8.631 1.00 1.13 O ATOM 2555 CG2 THR B 62 -13.963 3.866 -6.956 1.00 1.05 C ATOM 0 H THR B 62 -17.000 5.379 -9.109 1.00 0.99 H new ATOM 0 HA THR B 62 -15.452 3.145 -9.185 1.00 0.96 H new ATOM 0 HB THR B 62 -15.637 5.189 -6.950 1.00 1.03 H new ATOM 0 HG1 THR B 62 -13.876 6.139 -8.168 1.00 1.13 H new ATOM 0 HG21 THR B 62 -13.302 4.574 -6.455 1.00 1.05 H new ATOM 0 HG22 THR B 62 -14.409 3.201 -6.217 1.00 1.05 H new ATOM 0 HG23 THR B 62 -13.389 3.279 -7.673 1.00 1.05 H new ATOM 2563 N LEU B 63 -17.761 2.924 -6.909 1.00 0.86 N ATOM 2564 CA LEU B 63 -18.448 2.041 -5.988 1.00 0.83 C ATOM 2565 C LEU B 63 -18.423 0.604 -6.510 1.00 0.80 C ATOM 2566 O LEU B 63 -17.726 -0.251 -5.976 1.00 0.89 O ATOM 2567 CB LEU B 63 -19.887 2.532 -5.830 1.00 0.95 C ATOM 2568 CG LEU B 63 -20.566 2.233 -4.495 1.00 0.92 C ATOM 2569 CD1 LEU B 63 -21.474 3.387 -4.100 1.00 1.05 C ATOM 2570 CD2 LEU B 63 -21.369 0.944 -4.584 1.00 1.41 C ATOM 0 H LEU B 63 -18.276 3.776 -7.129 1.00 0.86 H new ATOM 0 HA LEU B 63 -17.948 2.051 -5.019 1.00 0.83 H new ATOM 0 HB2 LEU B 63 -19.898 3.611 -5.984 1.00 0.95 H new ATOM 0 HB3 LEU B 63 -20.488 2.090 -6.625 1.00 0.95 H new ATOM 0 HG LEU B 63 -19.796 2.111 -3.733 1.00 0.92 H new ATOM 0 HD11 LEU B 63 -21.953 3.163 -3.147 1.00 1.05 H new ATOM 0 HD12 LEU B 63 -20.884 4.298 -4.004 1.00 1.05 H new ATOM 0 HD13 LEU B 63 -22.237 3.528 -4.865 1.00 1.05 H new ATOM 0 HD21 LEU B 63 -21.846 0.746 -3.624 1.00 1.41 H new ATOM 0 HD22 LEU B 63 -22.133 1.044 -5.355 1.00 1.41 H new ATOM 0 HD23 LEU B 63 -20.704 0.118 -4.836 1.00 1.41 H new ATOM 2582 N ASP B 64 -19.159 0.357 -7.587 1.00 0.78 N ATOM 2583 CA ASP B 64 -19.223 -0.971 -8.182 1.00 0.81 C ATOM 2584 C ASP B 64 -17.882 -1.383 -8.783 1.00 0.81 C ATOM 2585 O ASP B 64 -17.716 -2.527 -9.199 1.00 0.88 O ATOM 2586 CB ASP B 64 -20.278 -0.998 -9.274 1.00 0.91 C ATOM 2587 CG ASP B 64 -20.643 -2.408 -9.698 1.00 1.34 C ATOM 2588 OD1 ASP B 64 -21.536 -3.006 -9.062 1.00 2.05 O ATOM 2589 OD2 ASP B 64 -20.037 -2.912 -10.666 1.00 1.96 O ATOM 0 H ASP B 64 -19.721 1.061 -8.066 1.00 0.78 H new ATOM 0 HA ASP B 64 -19.480 -1.673 -7.389 1.00 0.81 H new ATOM 0 HB2 ASP B 64 -21.173 -0.485 -8.922 1.00 0.91 H new ATOM 0 HB3 ASP B 64 -19.914 -0.445 -10.140 1.00 0.91 H new ATOM 2594 N VAL B 65 -16.954 -0.431 -8.896 1.00 0.81 N ATOM 2595 CA VAL B 65 -15.630 -0.708 -9.444 1.00 0.87 C ATOM 2596 C VAL B 65 -14.685 -1.276 -8.386 1.00 0.77 C ATOM 2597 O VAL B 65 -14.078 -2.330 -8.576 1.00 0.83 O ATOM 2598 CB VAL B 65 -14.996 0.562 -10.047 1.00 0.95 C ATOM 2599 CG1 VAL B 65 -13.616 0.258 -10.612 1.00 1.06 C ATOM 2600 CG2 VAL B 65 -15.898 1.152 -11.119 1.00 1.07 C ATOM 0 H VAL B 65 -17.098 0.539 -8.614 1.00 0.81 H new ATOM 0 HA VAL B 65 -15.772 -1.451 -10.228 1.00 0.87 H new ATOM 0 HB VAL B 65 -14.883 1.299 -9.252 1.00 0.95 H new ATOM 0 HG11 VAL B 65 -13.187 1.167 -11.032 1.00 1.06 H new ATOM 0 HG12 VAL B 65 -12.971 -0.114 -9.816 1.00 1.06 H new ATOM 0 HG13 VAL B 65 -13.701 -0.498 -11.393 1.00 1.06 H new ATOM 0 HG21 VAL B 65 -15.434 2.047 -11.533 1.00 1.07 H new ATOM 0 HG22 VAL B 65 -16.046 0.420 -11.913 1.00 1.07 H new ATOM 0 HG23 VAL B 65 -16.862 1.412 -10.681 1.00 1.07 H new ATOM 2610 N ASN B 66 -14.538 -0.542 -7.290 1.00 0.72 N ATOM 2611 CA ASN B 66 -13.656 -0.938 -6.196 1.00 0.67 C ATOM 2612 C ASN B 66 -14.292 -1.899 -5.184 1.00 0.56 C ATOM 2613 O ASN B 66 -13.765 -2.067 -4.085 1.00 0.57 O ATOM 2614 CB ASN B 66 -13.191 0.301 -5.454 1.00 0.81 C ATOM 2615 CG ASN B 66 -12.292 1.179 -6.307 1.00 0.82 C ATOM 2616 OD1 ASN B 66 -12.436 1.232 -7.529 1.00 1.52 O ATOM 2617 ND2 ASN B 66 -11.354 1.868 -5.668 1.00 1.10 N ATOM 0 H ASN B 66 -15.024 0.341 -7.133 1.00 0.72 H new ATOM 0 HA ASN B 66 -12.828 -1.474 -6.660 1.00 0.67 H new ATOM 0 HB2 ASN B 66 -14.059 0.877 -5.133 1.00 0.81 H new ATOM 0 HB3 ASN B 66 -12.655 0.003 -4.553 1.00 0.81 H new ATOM 0 HD21 ASN B 66 -10.718 2.470 -6.191 1.00 1.10 H new ATOM 0 HD22 ASN B 66 -11.269 1.795 -4.654 1.00 1.10 H new ATOM 2624 N GLN B 67 -15.408 -2.518 -5.526 1.00 0.63 N ATOM 2625 CA GLN B 67 -16.082 -3.425 -4.589 1.00 0.68 C ATOM 2626 C GLN B 67 -15.125 -4.360 -3.850 1.00 0.61 C ATOM 2627 O GLN B 67 -15.074 -4.353 -2.624 1.00 0.66 O ATOM 2628 CB GLN B 67 -17.179 -4.237 -5.275 1.00 0.90 C ATOM 2629 CG GLN B 67 -16.735 -5.170 -6.390 1.00 0.74 C ATOM 2630 CD GLN B 67 -15.805 -4.522 -7.378 1.00 1.20 C ATOM 2631 OE1 GLN B 67 -16.052 -3.415 -7.810 1.00 2.01 O ATOM 2632 NE2 GLN B 67 -14.719 -5.199 -7.712 1.00 1.44 N ATOM 0 H GLN B 67 -15.869 -2.417 -6.431 1.00 0.63 H new ATOM 0 HA GLN B 67 -16.536 -2.775 -3.842 1.00 0.68 H new ATOM 0 HB2 GLN B 67 -17.689 -4.830 -4.516 1.00 0.90 H new ATOM 0 HB3 GLN B 67 -17.913 -3.542 -5.683 1.00 0.90 H new ATOM 0 HG2 GLN B 67 -16.241 -6.037 -5.952 1.00 0.74 H new ATOM 0 HG3 GLN B 67 -17.615 -5.537 -6.918 1.00 0.74 H new ATOM 0 HE21 GLN B 67 -14.556 -6.127 -7.321 1.00 1.44 H new ATOM 0 HE22 GLN B 67 -14.044 -4.793 -8.360 1.00 1.44 H new ATOM 2641 N ASP B 68 -14.372 -5.160 -4.583 1.00 0.59 N ATOM 2642 CA ASP B 68 -13.444 -6.097 -3.983 1.00 0.62 C ATOM 2643 C ASP B 68 -12.148 -5.407 -3.584 1.00 0.59 C ATOM 2644 O ASP B 68 -11.274 -6.037 -2.996 1.00 0.65 O ATOM 2645 CB ASP B 68 -13.152 -7.245 -4.950 1.00 0.73 C ATOM 2646 CG ASP B 68 -14.404 -8.007 -5.334 1.00 0.97 C ATOM 2647 OD1 ASP B 68 -14.833 -8.877 -4.547 1.00 1.58 O ATOM 2648 OD2 ASP B 68 -14.955 -7.735 -6.421 1.00 1.50 O ATOM 0 H ASP B 68 -14.387 -5.178 -5.603 1.00 0.59 H new ATOM 0 HA ASP B 68 -13.906 -6.499 -3.081 1.00 0.62 H new ATOM 0 HB2 ASP B 68 -12.681 -6.848 -5.849 1.00 0.73 H new ATOM 0 HB3 ASP B 68 -12.439 -7.930 -4.492 1.00 0.73 H new ATOM 2653 N SER B 69 -12.064 -4.089 -3.814 1.00 0.56 N ATOM 2654 CA SER B 69 -10.848 -3.332 -3.490 1.00 0.58 C ATOM 2655 C SER B 69 -10.466 -3.557 -2.045 1.00 0.62 C ATOM 2656 O SER B 69 -9.344 -3.278 -1.628 1.00 0.74 O ATOM 2657 CB SER B 69 -11.044 -1.850 -3.760 1.00 0.66 C ATOM 2658 OG SER B 69 -11.304 -1.619 -5.130 1.00 1.74 O ATOM 0 H SER B 69 -12.815 -3.530 -4.219 1.00 0.56 H new ATOM 0 HA SER B 69 -10.041 -3.689 -4.129 1.00 0.58 H new ATOM 0 HB2 SER B 69 -11.872 -1.473 -3.160 1.00 0.66 H new ATOM 0 HB3 SER B 69 -10.153 -1.300 -3.456 1.00 0.66 H new ATOM 0 HG SER B 69 -11.300 -2.472 -5.612 1.00 1.74 H new ATOM 2664 N GLU B 70 -11.439 -4.020 -1.291 1.00 0.63 N ATOM 2665 CA GLU B 70 -11.286 -4.352 0.094 1.00 0.76 C ATOM 2666 C GLU B 70 -11.702 -5.797 0.289 1.00 0.77 C ATOM 2667 O GLU B 70 -12.844 -6.154 0.004 1.00 0.81 O ATOM 2668 CB GLU B 70 -12.220 -3.485 0.888 1.00 0.84 C ATOM 2669 CG GLU B 70 -13.579 -3.333 0.217 1.00 1.33 C ATOM 2670 CD GLU B 70 -13.599 -2.181 -0.767 1.00 2.19 C ATOM 2671 OE1 GLU B 70 -12.837 -1.213 -0.560 1.00 2.73 O ATOM 2672 OE2 GLU B 70 -14.368 -2.243 -1.744 1.00 2.87 O ATOM 0 H GLU B 70 -12.383 -4.178 -1.643 1.00 0.63 H new ATOM 0 HA GLU B 70 -10.254 -4.204 0.412 1.00 0.76 H new ATOM 0 HB2 GLU B 70 -12.354 -3.913 1.881 1.00 0.84 H new ATOM 0 HB3 GLU B 70 -11.772 -2.501 1.023 1.00 0.84 H new ATOM 0 HG2 GLU B 70 -13.833 -4.257 -0.302 1.00 1.33 H new ATOM 0 HG3 GLU B 70 -14.343 -3.174 0.978 1.00 1.33 H new ATOM 2679 N LEU B 71 -10.801 -6.646 0.726 1.00 0.79 N ATOM 2680 CA LEU B 71 -11.174 -8.032 0.901 1.00 0.83 C ATOM 2681 C LEU B 71 -10.476 -8.754 2.016 1.00 0.81 C ATOM 2682 O LEU B 71 -9.498 -8.290 2.603 1.00 0.86 O ATOM 2683 CB LEU B 71 -11.035 -8.838 -0.361 1.00 0.99 C ATOM 2684 CG LEU B 71 -9.661 -8.907 -0.941 1.00 0.78 C ATOM 2685 CD1 LEU B 71 -9.143 -7.506 -1.207 1.00 1.89 C ATOM 2686 CD2 LEU B 71 -8.734 -9.728 -0.063 1.00 1.25 C ATOM 0 H LEU B 71 -9.836 -6.414 0.960 1.00 0.79 H new ATOM 0 HA LEU B 71 -12.225 -7.957 1.181 1.00 0.83 H new ATOM 0 HB2 LEU B 71 -11.375 -9.854 -0.160 1.00 0.99 H new ATOM 0 HB3 LEU B 71 -11.705 -8.420 -1.112 1.00 0.99 H new ATOM 0 HG LEU B 71 -9.699 -9.426 -1.899 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -8.140 -7.563 -1.630 1.00 1.89 H new ATOM 0 HD12 LEU B 71 -9.805 -7.001 -1.910 1.00 1.89 H new ATOM 0 HD13 LEU B 71 -9.111 -6.946 -0.272 1.00 1.89 H new ATOM 0 HD21 LEU B 71 -7.741 -9.760 -0.512 1.00 1.25 H new ATOM 0 HD22 LEU B 71 -8.671 -9.273 0.925 1.00 1.25 H new ATOM 0 HD23 LEU B 71 -9.123 -10.742 0.029 1.00 1.25 H new ATOM 2698 N ARG B 72 -11.032 -9.918 2.277 1.00 0.77 N ATOM 2699 CA ARG B 72 -10.558 -10.830 3.284 1.00 0.80 C ATOM 2700 C ARG B 72 -10.095 -12.129 2.628 1.00 0.69 C ATOM 2701 O ARG B 72 -9.509 -12.985 3.290 1.00 0.76 O ATOM 2702 CB ARG B 72 -11.686 -11.156 4.267 1.00 0.91 C ATOM 2703 CG ARG B 72 -12.803 -10.124 4.322 1.00 1.00 C ATOM 2704 CD ARG B 72 -12.272 -8.698 4.369 1.00 1.06 C ATOM 2705 NE ARG B 72 -10.948 -8.610 4.990 1.00 1.30 N ATOM 2706 CZ ARG B 72 -10.755 -8.570 6.305 1.00 1.18 C ATOM 2707 NH1 ARG B 72 -11.789 -8.627 7.134 1.00 1.55 N ATOM 2708 NH2 ARG B 72 -9.525 -8.476 6.792 1.00 1.42 N ATOM 0 H ARG B 72 -11.851 -10.262 1.776 1.00 0.77 H new ATOM 0 HA ARG B 72 -9.728 -10.363 3.814 1.00 0.80 H new ATOM 0 HB2 ARG B 72 -12.115 -12.121 3.998 1.00 0.91 H new ATOM 0 HB3 ARG B 72 -11.260 -11.263 5.265 1.00 0.91 H new ATOM 0 HG2 ARG B 72 -13.446 -10.241 3.450 1.00 1.00 H new ATOM 0 HG3 ARG B 72 -13.421 -10.308 5.201 1.00 1.00 H new ATOM 0 HD2 ARG B 72 -12.221 -8.300 3.356 1.00 1.06 H new ATOM 0 HD3 ARG B 72 -12.971 -8.072 4.923 1.00 1.06 H new ATOM 0 HE ARG B 72 -10.130 -8.578 4.381 1.00 1.30 H new ATOM 0 HH11 ARG B 72 -12.736 -8.702 6.763 1.00 1.55 H new ATOM 0 HH12 ARG B 72 -11.637 -8.596 8.142 1.00 1.55 H new ATOM 0 HH21 ARG B 72 -8.727 -8.434 6.158 1.00 1.42 H new ATOM 0 HH22 ARG B 72 -9.377 -8.445 7.801 1.00 1.42 H new ATOM 2722 N PHE B 73 -10.358 -12.286 1.318 1.00 0.60 N ATOM 2723 CA PHE B 73 -9.982 -13.492 0.631 1.00 0.57 C ATOM 2724 C PHE B 73 -8.840 -13.241 -0.360 1.00 0.52 C ATOM 2725 O PHE B 73 -7.834 -12.633 0.001 1.00 0.63 O ATOM 2726 CB PHE B 73 -11.222 -14.189 0.007 1.00 0.65 C ATOM 2727 CG PHE B 73 -11.902 -13.554 -1.198 1.00 0.59 C ATOM 2728 CD1 PHE B 73 -12.270 -12.211 -1.255 1.00 1.36 C ATOM 2729 CD2 PHE B 73 -12.168 -14.353 -2.300 1.00 1.24 C ATOM 2730 CE1 PHE B 73 -12.878 -11.695 -2.391 1.00 1.44 C ATOM 2731 CE2 PHE B 73 -12.772 -13.842 -3.426 1.00 1.32 C ATOM 2732 CZ PHE B 73 -13.125 -12.512 -3.474 1.00 0.87 C ATOM 0 H PHE B 73 -10.825 -11.590 0.737 1.00 0.60 H new ATOM 0 HA PHE B 73 -9.581 -14.198 1.358 1.00 0.57 H new ATOM 0 HB2 PHE B 73 -10.923 -15.197 -0.279 1.00 0.65 H new ATOM 0 HB3 PHE B 73 -11.972 -14.289 0.792 1.00 0.65 H new ATOM 0 HD1 PHE B 73 -12.081 -11.567 -0.409 1.00 1.36 H new ATOM 0 HD2 PHE B 73 -11.896 -15.398 -2.274 1.00 1.24 H new ATOM 0 HE1 PHE B 73 -13.158 -10.653 -2.427 1.00 1.44 H new ATOM 0 HE2 PHE B 73 -12.969 -14.484 -4.272 1.00 1.32 H new ATOM 0 HZ PHE B 73 -13.595 -12.109 -4.359 1.00 0.87 H new ATOM 2742 N SER B 74 -8.997 -13.659 -1.600 1.00 0.48 N ATOM 2743 CA SER B 74 -7.932 -13.515 -2.585 1.00 0.48 C ATOM 2744 C SER B 74 -8.145 -12.348 -3.521 1.00 0.42 C ATOM 2745 O SER B 74 -7.449 -12.215 -4.525 1.00 0.46 O ATOM 2746 CB SER B 74 -7.745 -14.774 -3.422 1.00 0.63 C ATOM 2747 OG SER B 74 -8.991 -15.337 -3.793 1.00 1.03 O ATOM 0 H SER B 74 -9.846 -14.100 -1.953 1.00 0.48 H new ATOM 0 HA SER B 74 -7.035 -13.332 -1.994 1.00 0.48 H new ATOM 0 HB2 SER B 74 -7.171 -14.536 -4.317 1.00 0.63 H new ATOM 0 HB3 SER B 74 -7.167 -15.506 -2.858 1.00 0.63 H new ATOM 0 HG SER B 74 -8.839 -16.142 -4.330 1.00 1.03 H new ATOM 2753 N GLU B 75 -9.103 -11.505 -3.216 1.00 0.43 N ATOM 2754 CA GLU B 75 -9.325 -10.339 -4.041 1.00 0.42 C ATOM 2755 C GLU B 75 -8.312 -9.248 -3.665 1.00 0.42 C ATOM 2756 O GLU B 75 -8.411 -8.134 -4.155 1.00 0.56 O ATOM 2757 CB GLU B 75 -10.763 -9.813 -3.853 1.00 0.44 C ATOM 2758 CG GLU B 75 -11.773 -10.322 -4.857 1.00 0.59 C ATOM 2759 CD GLU B 75 -11.628 -9.676 -6.219 1.00 0.93 C ATOM 2760 OE1 GLU B 75 -10.480 -9.487 -6.662 1.00 1.60 O ATOM 2761 OE2 GLU B 75 -12.663 -9.359 -6.840 1.00 1.41 O ATOM 0 H GLU B 75 -9.731 -11.600 -2.418 1.00 0.43 H new ATOM 0 HA GLU B 75 -9.192 -10.612 -5.088 1.00 0.42 H new ATOM 0 HB2 GLU B 75 -11.103 -10.081 -2.853 1.00 0.44 H new ATOM 0 HB3 GLU B 75 -10.743 -8.724 -3.902 1.00 0.44 H new ATOM 0 HG2 GLU B 75 -11.664 -11.402 -4.959 1.00 0.59 H new ATOM 0 HG3 GLU B 75 -12.778 -10.138 -4.478 1.00 0.59 H new ATOM 2768 N TYR B 76 -7.351 -9.574 -2.767 1.00 0.38 N ATOM 2769 CA TYR B 76 -6.361 -8.607 -2.294 1.00 0.38 C ATOM 2770 C TYR B 76 -5.771 -7.767 -3.422 1.00 0.39 C ATOM 2771 O TYR B 76 -5.443 -6.603 -3.218 1.00 0.42 O ATOM 2772 CB TYR B 76 -5.272 -9.276 -1.432 1.00 0.40 C ATOM 2773 CG TYR B 76 -5.576 -9.292 0.054 1.00 0.41 C ATOM 2774 CD1 TYR B 76 -6.340 -8.302 0.642 1.00 1.29 C ATOM 2775 CD2 TYR B 76 -5.118 -10.320 0.862 1.00 1.22 C ATOM 2776 CE1 TYR B 76 -6.645 -8.323 1.978 1.00 1.29 C ATOM 2777 CE2 TYR B 76 -5.414 -10.361 2.206 1.00 1.26 C ATOM 2778 CZ TYR B 76 -6.184 -9.357 2.765 1.00 0.48 C ATOM 2779 OH TYR B 76 -6.483 -9.385 4.108 1.00 0.54 O ATOM 0 H TYR B 76 -7.250 -10.505 -2.362 1.00 0.38 H new ATOM 0 HA TYR B 76 -6.894 -7.909 -1.648 1.00 0.38 H new ATOM 0 HB2 TYR B 76 -5.133 -10.302 -1.774 1.00 0.40 H new ATOM 0 HB3 TYR B 76 -4.327 -8.756 -1.592 1.00 0.40 H new ATOM 0 HD1 TYR B 76 -6.707 -7.490 0.032 1.00 1.29 H new ATOM 0 HD2 TYR B 76 -4.516 -11.105 0.429 1.00 1.22 H new ATOM 0 HE1 TYR B 76 -7.243 -7.535 2.412 1.00 1.29 H new ATOM 0 HE2 TYR B 76 -5.048 -11.171 2.819 1.00 1.26 H new ATOM 0 HH TYR B 76 -6.083 -10.181 4.516 1.00 0.54 H new ATOM 2789 N TRP B 77 -5.670 -8.326 -4.618 1.00 0.40 N ATOM 2790 CA TRP B 77 -5.156 -7.551 -5.760 1.00 0.43 C ATOM 2791 C TRP B 77 -6.064 -6.349 -6.016 1.00 0.45 C ATOM 2792 O TRP B 77 -5.722 -5.455 -6.780 1.00 0.50 O ATOM 2793 CB TRP B 77 -5.087 -8.392 -7.038 1.00 0.45 C ATOM 2794 CG TRP B 77 -6.426 -8.904 -7.441 1.00 0.45 C ATOM 2795 CD1 TRP B 77 -7.456 -8.150 -7.894 1.00 0.50 C ATOM 2796 CD2 TRP B 77 -6.897 -10.255 -7.406 1.00 0.46 C ATOM 2797 NE1 TRP B 77 -8.538 -8.938 -8.157 1.00 0.53 N ATOM 2798 CE2 TRP B 77 -8.225 -10.239 -7.864 1.00 0.51 C ATOM 2799 CE3 TRP B 77 -6.330 -11.474 -7.038 1.00 0.47 C ATOM 2800 CZ2 TRP B 77 -8.993 -11.397 -7.958 1.00 0.56 C ATOM 2801 CZ3 TRP B 77 -7.089 -12.618 -7.129 1.00 0.53 C ATOM 2802 CH2 TRP B 77 -8.404 -12.575 -7.584 1.00 0.56 C ATOM 0 H TRP B 77 -5.928 -9.290 -4.831 1.00 0.40 H new ATOM 0 HA TRP B 77 -4.147 -7.227 -5.505 1.00 0.43 H new ATOM 0 HB2 TRP B 77 -4.671 -7.790 -7.846 1.00 0.45 H new ATOM 0 HB3 TRP B 77 -4.409 -9.231 -6.884 1.00 0.45 H new ATOM 0 HD1 TRP B 77 -7.425 -7.079 -8.028 1.00 0.50 H new ATOM 0 HE1 TRP B 77 -9.436 -8.611 -8.514 1.00 0.53 H new ATOM 0 HE3 TRP B 77 -5.310 -11.520 -6.687 1.00 0.47 H new ATOM 0 HZ2 TRP B 77 -10.013 -11.367 -8.312 1.00 0.56 H new ATOM 0 HZ3 TRP B 77 -6.657 -13.566 -6.843 1.00 0.53 H new ATOM 0 HH2 TRP B 77 -8.972 -13.491 -7.643 1.00 0.56 H new ATOM 2813 N ARG B 78 -7.248 -6.354 -5.408 1.00 0.43 N ATOM 2814 CA ARG B 78 -8.182 -5.267 -5.549 1.00 0.47 C ATOM 2815 C ARG B 78 -7.723 -4.087 -4.683 1.00 0.49 C ATOM 2816 O ARG B 78 -7.955 -2.931 -5.037 1.00 0.62 O ATOM 2817 CB ARG B 78 -9.606 -5.752 -5.217 1.00 0.50 C ATOM 2818 CG ARG B 78 -10.066 -6.914 -6.077 1.00 0.61 C ATOM 2819 CD ARG B 78 -10.758 -6.435 -7.347 1.00 0.77 C ATOM 2820 NE ARG B 78 -9.847 -5.738 -8.249 1.00 1.49 N ATOM 2821 CZ ARG B 78 -10.254 -4.964 -9.249 1.00 1.76 C ATOM 2822 NH1 ARG B 78 -11.550 -4.789 -9.471 1.00 1.37 N ATOM 2823 NH2 ARG B 78 -9.366 -4.364 -10.030 1.00 2.83 N ATOM 0 H ARG B 78 -7.575 -7.112 -4.809 1.00 0.43 H new ATOM 0 HA ARG B 78 -8.210 -4.914 -6.580 1.00 0.47 H new ATOM 0 HB2 ARG B 78 -9.645 -6.048 -4.169 1.00 0.50 H new ATOM 0 HB3 ARG B 78 -10.302 -4.922 -5.340 1.00 0.50 H new ATOM 0 HG2 ARG B 78 -9.209 -7.533 -6.341 1.00 0.61 H new ATOM 0 HG3 ARG B 78 -10.749 -7.542 -5.505 1.00 0.61 H new ATOM 0 HD2 ARG B 78 -11.194 -7.290 -7.864 1.00 0.77 H new ATOM 0 HD3 ARG B 78 -11.580 -5.771 -7.081 1.00 0.77 H new ATOM 0 HE ARG B 78 -8.844 -5.851 -8.104 1.00 1.49 H new ATOM 0 HH11 ARG B 78 -12.237 -5.249 -8.873 1.00 1.37 H new ATOM 0 HH12 ARG B 78 -11.860 -4.194 -10.239 1.00 1.37 H new ATOM 0 HH21 ARG B 78 -8.368 -4.496 -9.863 1.00 2.83 H new ATOM 0 HH22 ARG B 78 -9.681 -3.770 -10.797 1.00 2.83 H new ATOM 2837 N LEU B 79 -7.061 -4.375 -3.544 1.00 0.42 N ATOM 2838 CA LEU B 79 -6.515 -3.306 -2.708 1.00 0.45 C ATOM 2839 C LEU B 79 -5.316 -2.688 -3.413 1.00 0.46 C ATOM 2840 O LEU B 79 -4.884 -1.589 -3.078 1.00 0.53 O ATOM 2841 CB LEU B 79 -5.993 -3.788 -1.345 1.00 0.53 C ATOM 2842 CG LEU B 79 -6.511 -5.088 -0.756 1.00 0.62 C ATOM 2843 CD1 LEU B 79 -5.511 -5.554 0.296 1.00 1.23 C ATOM 2844 CD2 LEU B 79 -7.882 -4.899 -0.128 1.00 0.88 C ATOM 0 H LEU B 79 -6.898 -5.319 -3.194 1.00 0.42 H new ATOM 0 HA LEU B 79 -7.338 -2.610 -2.547 1.00 0.45 H new ATOM 0 HB2 LEU B 79 -4.909 -3.876 -1.424 1.00 0.53 H new ATOM 0 HB3 LEU B 79 -6.197 -2.999 -0.621 1.00 0.53 H new ATOM 0 HG LEU B 79 -6.616 -5.833 -1.545 1.00 0.62 H new ATOM 0 HD11 LEU B 79 -5.857 -6.488 0.738 1.00 1.23 H new ATOM 0 HD12 LEU B 79 -4.539 -5.711 -0.171 1.00 1.23 H new ATOM 0 HD13 LEU B 79 -5.421 -4.796 1.074 1.00 1.23 H new ATOM 0 HD21 LEU B 79 -8.227 -5.847 0.285 1.00 0.88 H new ATOM 0 HD22 LEU B 79 -7.818 -4.158 0.669 1.00 0.88 H new ATOM 0 HD23 LEU B 79 -8.586 -4.557 -0.887 1.00 0.88 H new ATOM 2856 N ILE B 80 -4.756 -3.432 -4.360 1.00 0.44 N ATOM 2857 CA ILE B 80 -3.587 -3.000 -5.102 1.00 0.48 C ATOM 2858 C ILE B 80 -3.658 -1.504 -5.452 1.00 0.48 C ATOM 2859 O ILE B 80 -2.693 -0.766 -5.252 1.00 0.51 O ATOM 2860 CB ILE B 80 -3.411 -3.887 -6.362 1.00 0.52 C ATOM 2861 CG1 ILE B 80 -1.937 -3.956 -6.762 1.00 0.59 C ATOM 2862 CG2 ILE B 80 -4.256 -3.381 -7.520 1.00 0.55 C ATOM 2863 CD1 ILE B 80 -1.368 -2.630 -7.216 1.00 1.16 C ATOM 0 H ILE B 80 -5.103 -4.352 -4.632 1.00 0.44 H new ATOM 0 HA ILE B 80 -2.706 -3.123 -4.472 1.00 0.48 H new ATOM 0 HB ILE B 80 -3.755 -4.891 -6.116 1.00 0.52 H new ATOM 0 HG12 ILE B 80 -1.356 -4.320 -5.914 1.00 0.59 H new ATOM 0 HG13 ILE B 80 -1.821 -4.685 -7.564 1.00 0.59 H new ATOM 0 HG21 ILE B 80 -4.109 -4.025 -8.387 1.00 0.55 H new ATOM 0 HG22 ILE B 80 -5.308 -3.391 -7.235 1.00 0.55 H new ATOM 0 HG23 ILE B 80 -3.958 -2.363 -7.770 1.00 0.55 H new ATOM 0 HD11 ILE B 80 -0.319 -2.757 -7.483 1.00 1.16 H new ATOM 0 HD12 ILE B 80 -1.923 -2.274 -8.084 1.00 1.16 H new ATOM 0 HD13 ILE B 80 -1.451 -1.903 -6.408 1.00 1.16 H new ATOM 2875 N GLY B 81 -4.807 -1.063 -5.954 1.00 0.47 N ATOM 2876 CA GLY B 81 -4.977 0.341 -6.290 1.00 0.49 C ATOM 2877 C GLY B 81 -5.298 1.194 -5.069 1.00 0.43 C ATOM 2878 O GLY B 81 -5.141 2.414 -5.098 1.00 0.43 O ATOM 0 H GLY B 81 -5.622 -1.650 -6.134 1.00 0.47 H new ATOM 0 HA2 GLY B 81 -4.067 0.712 -6.760 1.00 0.49 H new ATOM 0 HA3 GLY B 81 -5.778 0.443 -7.022 1.00 0.49 H new ATOM 2882 N GLU B 82 -5.753 0.544 -3.997 1.00 0.42 N ATOM 2883 CA GLU B 82 -6.109 1.224 -2.758 1.00 0.39 C ATOM 2884 C GLU B 82 -4.897 1.505 -1.914 1.00 0.33 C ATOM 2885 O GLU B 82 -4.714 2.618 -1.434 1.00 0.34 O ATOM 2886 CB GLU B 82 -7.044 0.380 -1.945 1.00 0.44 C ATOM 2887 CG GLU B 82 -8.329 0.028 -2.657 1.00 0.46 C ATOM 2888 CD GLU B 82 -9.530 0.127 -1.737 1.00 0.72 C ATOM 2889 OE1 GLU B 82 -9.766 -0.824 -0.962 1.00 1.48 O ATOM 2890 OE2 GLU B 82 -10.234 1.157 -1.790 1.00 1.39 O ATOM 0 H GLU B 82 -5.884 -0.467 -3.966 1.00 0.42 H new ATOM 0 HA GLU B 82 -6.585 2.163 -3.041 1.00 0.39 H new ATOM 0 HB2 GLU B 82 -6.533 -0.540 -1.662 1.00 0.44 H new ATOM 0 HB3 GLU B 82 -7.285 0.908 -1.022 1.00 0.44 H new ATOM 0 HG2 GLU B 82 -8.467 0.695 -3.508 1.00 0.46 H new ATOM 0 HG3 GLU B 82 -8.258 -0.985 -3.054 1.00 0.46 H new ATOM 2897 N LEU B 83 -4.074 0.485 -1.694 1.00 0.34 N ATOM 2898 CA LEU B 83 -2.870 0.671 -0.904 1.00 0.35 C ATOM 2899 C LEU B 83 -2.081 1.824 -1.484 1.00 0.34 C ATOM 2900 O LEU B 83 -1.220 2.395 -0.824 1.00 0.41 O ATOM 2901 CB LEU B 83 -2.030 -0.607 -0.861 1.00 0.43 C ATOM 2902 CG LEU B 83 -2.225 -1.459 0.397 1.00 0.50 C ATOM 2903 CD1 LEU B 83 -1.853 -2.906 0.126 1.00 1.27 C ATOM 2904 CD2 LEU B 83 -1.396 -0.905 1.546 1.00 1.31 C ATOM 0 H LEU B 83 -4.217 -0.462 -2.046 1.00 0.34 H new ATOM 0 HA LEU B 83 -3.146 0.901 0.125 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -2.270 -1.213 -1.735 1.00 0.43 H new ATOM 0 HB3 LEU B 83 -0.977 -0.336 -0.940 1.00 0.43 H new ATOM 0 HG LEU B 83 -3.278 -1.422 0.678 1.00 0.50 H new ATOM 0 HD11 LEU B 83 -1.998 -3.495 1.032 1.00 1.27 H new ATOM 0 HD12 LEU B 83 -2.485 -3.301 -0.669 1.00 1.27 H new ATOM 0 HD13 LEU B 83 -0.808 -2.962 -0.179 1.00 1.27 H new ATOM 0 HD21 LEU B 83 -1.545 -1.521 2.433 1.00 1.31 H new ATOM 0 HD22 LEU B 83 -0.341 -0.914 1.271 1.00 1.31 H new ATOM 0 HD23 LEU B 83 -1.707 0.118 1.759 1.00 1.31 H new ATOM 2916 N ALA B 84 -2.339 2.118 -2.756 1.00 0.34 N ATOM 2917 CA ALA B 84 -1.712 3.258 -3.385 1.00 0.37 C ATOM 2918 C ALA B 84 -2.502 4.529 -3.084 1.00 0.41 C ATOM 2919 O ALA B 84 -1.945 5.621 -3.000 1.00 0.47 O ATOM 2920 CB ALA B 84 -1.561 3.059 -4.877 1.00 0.41 C ATOM 0 H ALA B 84 -2.969 1.587 -3.357 1.00 0.34 H new ATOM 0 HA ALA B 84 -0.710 3.361 -2.969 1.00 0.37 H new ATOM 0 HB1 ALA B 84 -1.086 3.937 -5.315 1.00 0.41 H new ATOM 0 HB2 ALA B 84 -0.945 2.180 -5.066 1.00 0.41 H new ATOM 0 HB3 ALA B 84 -2.544 2.916 -5.326 1.00 0.41 H new ATOM 2926 N LYS B 85 -3.821 4.372 -2.919 1.00 0.42 N ATOM 2927 CA LYS B 85 -4.718 5.488 -2.599 1.00 0.51 C ATOM 2928 C LYS B 85 -4.067 6.437 -1.610 1.00 0.50 C ATOM 2929 O LYS B 85 -4.369 7.621 -1.579 1.00 0.67 O ATOM 2930 CB LYS B 85 -6.044 4.970 -2.038 1.00 0.62 C ATOM 2931 CG LYS B 85 -7.249 5.787 -2.488 1.00 1.19 C ATOM 2932 CD LYS B 85 -7.476 5.682 -3.990 1.00 1.44 C ATOM 2933 CE LYS B 85 -7.897 4.279 -4.388 1.00 1.56 C ATOM 2934 NZ LYS B 85 -8.191 4.175 -5.845 1.00 2.69 N ATOM 0 H LYS B 85 -4.294 3.472 -3.003 1.00 0.42 H new ATOM 0 HA LYS B 85 -4.918 6.034 -3.521 1.00 0.51 H new ATOM 0 HB2 LYS B 85 -6.181 3.934 -2.346 1.00 0.62 H new ATOM 0 HB3 LYS B 85 -5.997 4.975 -0.949 1.00 0.62 H new ATOM 0 HG2 LYS B 85 -8.139 5.442 -1.961 1.00 1.19 H new ATOM 0 HG3 LYS B 85 -7.102 6.832 -2.215 1.00 1.19 H new ATOM 0 HD2 LYS B 85 -8.243 6.394 -4.295 1.00 1.44 H new ATOM 0 HD3 LYS B 85 -6.562 5.953 -4.518 1.00 1.44 H new ATOM 0 HE2 LYS B 85 -7.106 3.576 -4.127 1.00 1.56 H new ATOM 0 HE3 LYS B 85 -8.781 3.991 -3.819 1.00 1.56 H new ATOM 0 HZ1 LYS B 85 -8.474 3.201 -6.073 1.00 2.69 H new ATOM 0 HZ2 LYS B 85 -8.963 4.827 -6.091 1.00 2.69 H new ATOM 0 HZ3 LYS B 85 -7.341 4.425 -6.389 1.00 2.69 H new ATOM 2948 N GLU B 86 -3.203 5.890 -0.775 1.00 0.44 N ATOM 2949 CA GLU B 86 -2.469 6.682 0.195 1.00 0.45 C ATOM 2950 C GLU B 86 -1.213 7.280 -0.440 1.00 0.44 C ATOM 2951 O GLU B 86 -0.973 8.477 -0.359 1.00 0.48 O ATOM 2952 CB GLU B 86 -2.082 5.828 1.407 1.00 0.48 C ATOM 2953 CG GLU B 86 -1.161 4.683 1.062 1.00 0.98 C ATOM 2954 CD GLU B 86 -1.009 3.690 2.196 1.00 2.07 C ATOM 2955 OE1 GLU B 86 -1.812 2.735 2.261 1.00 2.60 O ATOM 2956 OE2 GLU B 86 -0.089 3.865 3.021 1.00 2.90 O ATOM 0 H GLU B 86 -2.991 4.893 -0.749 1.00 0.44 H new ATOM 0 HA GLU B 86 -3.116 7.493 0.528 1.00 0.45 H new ATOM 0 HB2 GLU B 86 -1.599 6.462 2.150 1.00 0.48 H new ATOM 0 HB3 GLU B 86 -2.987 5.431 1.867 1.00 0.48 H new ATOM 0 HG2 GLU B 86 -1.544 4.167 0.182 1.00 0.98 H new ATOM 0 HG3 GLU B 86 -0.180 5.078 0.797 1.00 0.98 H new ATOM 2963 N VAL B 87 -0.439 6.425 -1.103 1.00 0.44 N ATOM 2964 CA VAL B 87 0.830 6.817 -1.716 1.00 0.46 C ATOM 2965 C VAL B 87 0.688 7.734 -2.941 1.00 0.46 C ATOM 2966 O VAL B 87 1.464 8.675 -3.111 1.00 0.54 O ATOM 2967 CB VAL B 87 1.642 5.563 -2.110 1.00 0.55 C ATOM 2968 CG1 VAL B 87 1.134 4.933 -3.401 1.00 1.01 C ATOM 2969 CG2 VAL B 87 3.105 5.916 -2.227 1.00 0.81 C ATOM 0 H VAL B 87 -0.673 5.440 -1.231 1.00 0.44 H new ATOM 0 HA VAL B 87 1.352 7.397 -0.955 1.00 0.46 H new ATOM 0 HB VAL B 87 1.512 4.820 -1.323 1.00 0.55 H new ATOM 0 HG11 VAL B 87 1.735 4.055 -3.638 1.00 1.01 H new ATOM 0 HG12 VAL B 87 0.092 4.637 -3.276 1.00 1.01 H new ATOM 0 HG13 VAL B 87 1.211 5.656 -4.213 1.00 1.01 H new ATOM 0 HG21 VAL B 87 3.672 5.028 -2.505 1.00 0.81 H new ATOM 0 HG22 VAL B 87 3.234 6.683 -2.991 1.00 0.81 H new ATOM 0 HG23 VAL B 87 3.466 6.292 -1.270 1.00 0.81 H new ATOM 2979 N ARG B 88 -0.298 7.459 -3.783 1.00 0.49 N ATOM 2980 CA ARG B 88 -0.502 8.220 -5.022 1.00 0.51 C ATOM 2981 C ARG B 88 -0.449 9.738 -4.833 1.00 0.50 C ATOM 2982 O ARG B 88 0.304 10.426 -5.522 1.00 0.58 O ATOM 2983 CB ARG B 88 -1.835 7.828 -5.660 1.00 0.56 C ATOM 2984 CG ARG B 88 -1.734 7.560 -7.152 1.00 0.67 C ATOM 2985 CD ARG B 88 -3.070 7.126 -7.734 1.00 1.33 C ATOM 2986 NE ARG B 88 -4.097 8.154 -7.580 1.00 1.83 N ATOM 2987 CZ ARG B 88 -5.339 8.026 -8.037 1.00 2.72 C ATOM 2988 NH1 ARG B 88 -5.705 6.920 -8.669 1.00 3.25 N ATOM 2989 NH2 ARG B 88 -6.216 9.004 -7.860 1.00 3.50 N ATOM 0 H ARG B 88 -0.976 6.712 -3.635 1.00 0.49 H new ATOM 0 HA ARG B 88 0.330 7.961 -5.677 1.00 0.51 H new ATOM 0 HB2 ARG B 88 -2.219 6.937 -5.163 1.00 0.56 H new ATOM 0 HB3 ARG B 88 -2.559 8.625 -5.490 1.00 0.56 H new ATOM 0 HG2 ARG B 88 -1.390 8.460 -7.661 1.00 0.67 H new ATOM 0 HG3 ARG B 88 -0.989 6.786 -7.334 1.00 0.67 H new ATOM 0 HD2 ARG B 88 -2.946 6.894 -8.792 1.00 1.33 H new ATOM 0 HD3 ARG B 88 -3.398 6.210 -7.243 1.00 1.33 H new ATOM 0 HE ARG B 88 -3.848 9.016 -7.096 1.00 1.83 H new ATOM 0 HH11 ARG B 88 -5.033 6.165 -8.806 1.00 3.25 H new ATOM 0 HH12 ARG B 88 -6.658 6.824 -9.019 1.00 3.25 H new ATOM 0 HH21 ARG B 88 -5.938 9.856 -7.373 1.00 3.50 H new ATOM 0 HH22 ARG B 88 -7.169 8.905 -8.211 1.00 3.50 H new ATOM 3003 N LYS B 89 -1.242 10.255 -3.912 1.00 0.47 N ATOM 3004 CA LYS B 89 -1.300 11.694 -3.670 1.00 0.49 C ATOM 3005 C LYS B 89 -0.166 12.108 -2.779 1.00 0.48 C ATOM 3006 O LYS B 89 0.413 13.184 -2.922 1.00 0.53 O ATOM 3007 CB LYS B 89 -2.620 12.086 -3.020 1.00 0.56 C ATOM 3008 CG LYS B 89 -3.007 11.233 -1.821 1.00 0.69 C ATOM 3009 CD LYS B 89 -4.219 10.366 -2.164 1.00 1.55 C ATOM 3010 CE LYS B 89 -4.020 9.517 -3.415 1.00 2.46 C ATOM 3011 NZ LYS B 89 -5.309 8.988 -3.943 1.00 3.29 N ATOM 0 H LYS B 89 -1.858 9.702 -3.316 1.00 0.47 H new ATOM 0 HA LYS B 89 -1.220 12.202 -4.631 1.00 0.49 H new ATOM 0 HB2 LYS B 89 -2.561 13.128 -2.706 1.00 0.56 H new ATOM 0 HB3 LYS B 89 -3.412 12.023 -3.766 1.00 0.56 H new ATOM 0 HG2 LYS B 89 -2.169 10.601 -1.529 1.00 0.69 H new ATOM 0 HG3 LYS B 89 -3.237 11.872 -0.969 1.00 0.69 H new ATOM 0 HD2 LYS B 89 -4.439 9.711 -1.321 1.00 1.55 H new ATOM 0 HD3 LYS B 89 -5.088 11.008 -2.304 1.00 1.55 H new ATOM 0 HE2 LYS B 89 -3.531 10.115 -4.184 1.00 2.46 H new ATOM 0 HE3 LYS B 89 -3.354 8.685 -3.186 1.00 2.46 H new ATOM 0 HZ1 LYS B 89 -5.148 8.061 -4.387 1.00 3.29 H new ATOM 0 HZ2 LYS B 89 -5.988 8.885 -3.162 1.00 3.29 H new ATOM 0 HZ3 LYS B 89 -5.692 9.648 -4.650 1.00 3.29 H new ATOM 3025 N GLU B 90 0.139 11.227 -1.857 1.00 0.47 N ATOM 3026 CA GLU B 90 1.200 11.447 -0.925 1.00 0.52 C ATOM 3027 C GLU B 90 2.524 11.546 -1.670 1.00 0.56 C ATOM 3028 O GLU B 90 3.514 12.021 -1.130 1.00 0.62 O ATOM 3029 CB GLU B 90 1.184 10.311 0.084 1.00 0.56 C ATOM 3030 CG GLU B 90 0.037 10.434 1.068 1.00 0.62 C ATOM 3031 CD GLU B 90 0.147 11.674 1.935 1.00 1.24 C ATOM 3032 OE1 GLU B 90 1.007 11.690 2.841 1.00 1.93 O ATOM 3033 OE2 GLU B 90 -0.623 12.629 1.706 1.00 1.93 O ATOM 0 H GLU B 90 -0.347 10.338 -1.738 1.00 0.47 H new ATOM 0 HA GLU B 90 1.069 12.387 -0.389 1.00 0.52 H new ATOM 0 HB2 GLU B 90 1.107 9.360 -0.443 1.00 0.56 H new ATOM 0 HB3 GLU B 90 2.128 10.298 0.629 1.00 0.56 H new ATOM 0 HG2 GLU B 90 -0.906 10.459 0.521 1.00 0.62 H new ATOM 0 HG3 GLU B 90 0.012 9.550 1.705 1.00 0.62 H new ATOM 3040 N LYS B 91 2.534 11.108 -2.929 1.00 0.54 N ATOM 3041 CA LYS B 91 3.733 11.186 -3.734 1.00 0.61 C ATOM 3042 C LYS B 91 4.280 12.607 -3.743 1.00 0.63 C ATOM 3043 O LYS B 91 5.436 12.837 -3.397 1.00 0.70 O ATOM 3044 CB LYS B 91 3.469 10.694 -5.153 1.00 0.62 C ATOM 3045 CG LYS B 91 2.757 11.685 -6.060 1.00 0.61 C ATOM 3046 CD LYS B 91 2.458 11.076 -7.421 1.00 0.67 C ATOM 3047 CE LYS B 91 1.785 12.078 -8.346 1.00 0.70 C ATOM 3048 NZ LYS B 91 1.452 11.478 -9.668 1.00 1.38 N ATOM 0 H LYS B 91 1.728 10.700 -3.402 1.00 0.54 H new ATOM 0 HA LYS B 91 4.485 10.535 -3.289 1.00 0.61 H new ATOM 0 HB2 LYS B 91 4.421 10.426 -5.611 1.00 0.62 H new ATOM 0 HB3 LYS B 91 2.874 9.782 -5.099 1.00 0.62 H new ATOM 0 HG2 LYS B 91 1.827 12.006 -5.591 1.00 0.61 H new ATOM 0 HG3 LYS B 91 3.375 12.574 -6.185 1.00 0.61 H new ATOM 0 HD2 LYS B 91 3.385 10.726 -7.875 1.00 0.67 H new ATOM 0 HD3 LYS B 91 1.815 10.205 -7.297 1.00 0.67 H new ATOM 0 HE2 LYS B 91 0.874 12.450 -7.877 1.00 0.70 H new ATOM 0 HE3 LYS B 91 2.442 12.935 -8.492 1.00 0.70 H new ATOM 0 HZ1 LYS B 91 0.995 12.193 -10.269 1.00 1.38 H new ATOM 0 HZ2 LYS B 91 2.324 11.145 -10.128 1.00 1.38 H new ATOM 0 HZ3 LYS B 91 0.805 10.676 -9.532 1.00 1.38 H new ATOM 3062 N ALA B 92 3.440 13.559 -4.124 1.00 0.60 N ATOM 3063 CA ALA B 92 3.850 14.960 -4.181 1.00 0.65 C ATOM 3064 C ALA B 92 3.762 15.641 -2.822 1.00 0.63 C ATOM 3065 O ALA B 92 4.556 16.528 -2.519 1.00 0.69 O ATOM 3066 CB ALA B 92 3.021 15.708 -5.211 1.00 0.73 C ATOM 0 H ALA B 92 2.472 13.390 -4.398 1.00 0.60 H new ATOM 0 HA ALA B 92 4.898 14.983 -4.481 1.00 0.65 H new ATOM 0 HB1 ALA B 92 3.336 16.751 -5.244 1.00 0.73 H new ATOM 0 HB2 ALA B 92 3.164 15.255 -6.192 1.00 0.73 H new ATOM 0 HB3 ALA B 92 1.967 15.656 -4.937 1.00 0.73 H new ATOM 3072 N LEU B 93 2.797 15.238 -2.007 1.00 0.62 N ATOM 3073 CA LEU B 93 2.633 15.842 -0.692 1.00 0.65 C ATOM 3074 C LEU B 93 3.624 15.266 0.318 1.00 0.59 C ATOM 3075 O LEU B 93 3.839 15.844 1.383 1.00 0.63 O ATOM 3076 CB LEU B 93 1.203 15.665 -0.188 1.00 0.74 C ATOM 3077 CG LEU B 93 0.938 16.285 1.181 1.00 0.81 C ATOM 3078 CD1 LEU B 93 -0.466 16.867 1.243 1.00 1.03 C ATOM 3079 CD2 LEU B 93 1.138 15.254 2.281 1.00 0.95 C ATOM 0 H LEU B 93 2.124 14.505 -2.229 1.00 0.62 H new ATOM 0 HA LEU B 93 2.839 16.907 -0.796 1.00 0.65 H new ATOM 0 HB2 LEU B 93 0.518 16.106 -0.912 1.00 0.74 H new ATOM 0 HB3 LEU B 93 0.976 14.600 -0.142 1.00 0.74 H new ATOM 0 HG LEU B 93 1.651 17.095 1.335 1.00 0.81 H new ATOM 0 HD11 LEU B 93 -0.635 17.304 2.227 1.00 1.03 H new ATOM 0 HD12 LEU B 93 -0.574 17.638 0.480 1.00 1.03 H new ATOM 0 HD13 LEU B 93 -1.196 16.077 1.067 1.00 1.03 H new ATOM 0 HD21 LEU B 93 0.945 15.714 3.250 1.00 0.95 H new ATOM 0 HD22 LEU B 93 0.449 14.423 2.130 1.00 0.95 H new ATOM 0 HD23 LEU B 93 2.163 14.886 2.252 1.00 0.95 H new ATOM 3091 N GLY B 94 4.224 14.127 -0.017 1.00 0.53 N ATOM 3092 CA GLY B 94 5.186 13.511 0.875 1.00 0.51 C ATOM 3093 C GLY B 94 6.315 14.451 1.220 1.00 0.52 C ATOM 3094 O GLY B 94 6.821 14.439 2.341 1.00 0.57 O ATOM 0 H GLY B 94 4.061 13.622 -0.888 1.00 0.53 H new ATOM 0 HA2 GLY B 94 4.683 13.196 1.790 1.00 0.51 H new ATOM 0 HA3 GLY B 94 5.591 12.613 0.408 1.00 0.51 H new ATOM 3098 N ILE B 95 6.720 15.253 0.242 1.00 0.53 N ATOM 3099 CA ILE B 95 7.788 16.221 0.442 1.00 0.57 C ATOM 3100 C ILE B 95 7.352 17.300 1.422 1.00 0.60 C ATOM 3101 O ILE B 95 7.260 18.473 1.071 1.00 0.67 O ATOM 3102 CB ILE B 95 8.195 16.890 -0.879 1.00 0.63 C ATOM 3103 CG1 ILE B 95 9.423 17.781 -0.668 1.00 1.32 C ATOM 3104 CG2 ILE B 95 7.029 17.672 -1.450 1.00 1.13 C ATOM 3105 CD1 ILE B 95 9.859 18.521 -1.913 1.00 1.68 C ATOM 0 H ILE B 95 6.323 15.251 -0.698 1.00 0.53 H new ATOM 0 HA ILE B 95 8.644 15.678 0.842 1.00 0.57 H new ATOM 0 HB ILE B 95 8.466 16.120 -1.602 1.00 0.63 H new ATOM 0 HG12 ILE B 95 9.205 18.505 0.117 1.00 1.32 H new ATOM 0 HG13 ILE B 95 10.250 17.166 -0.313 1.00 1.32 H new ATOM 0 HG21 ILE B 95 7.330 18.142 -2.386 1.00 1.13 H new ATOM 0 HG22 ILE B 95 6.194 16.997 -1.635 1.00 1.13 H new ATOM 0 HG23 ILE B 95 6.724 18.441 -0.740 1.00 1.13 H new ATOM 0 HD11 ILE B 95 10.733 19.131 -1.686 1.00 1.68 H new ATOM 0 HD12 ILE B 95 10.110 17.803 -2.694 1.00 1.68 H new ATOM 0 HD13 ILE B 95 9.048 19.163 -2.257 1.00 1.68 H new ATOM 3117 N ARG B 96 7.090 16.907 2.654 1.00 0.64 N ATOM 3118 CA ARG B 96 6.661 17.867 3.655 1.00 0.74 C ATOM 3119 C ARG B 96 7.729 18.932 3.808 1.00 0.82 C ATOM 3120 O ARG B 96 7.440 20.099 4.077 1.00 0.93 O ATOM 3121 CB ARG B 96 6.388 17.186 4.992 1.00 0.84 C ATOM 3122 CG ARG B 96 5.363 17.929 5.823 1.00 1.65 C ATOM 3123 CD ARG B 96 3.955 17.662 5.319 1.00 2.45 C ATOM 3124 NE ARG B 96 3.510 16.305 5.623 1.00 2.91 N ATOM 3125 CZ ARG B 96 2.237 15.922 5.585 1.00 3.85 C ATOM 3126 NH1 ARG B 96 1.289 16.793 5.269 1.00 4.47 N ATOM 3127 NH2 ARG B 96 1.912 14.667 5.866 1.00 4.48 N ATOM 0 H ARG B 96 7.165 15.945 2.983 1.00 0.64 H new ATOM 0 HA ARG B 96 5.729 18.327 3.328 1.00 0.74 H new ATOM 0 HB2 ARG B 96 6.038 16.169 4.813 1.00 0.84 H new ATOM 0 HB3 ARG B 96 7.319 17.109 5.553 1.00 0.84 H new ATOM 0 HG2 ARG B 96 5.444 17.622 6.866 1.00 1.65 H new ATOM 0 HG3 ARG B 96 5.568 18.999 5.789 1.00 1.65 H new ATOM 0 HD2 ARG B 96 3.267 18.378 5.770 1.00 2.45 H new ATOM 0 HD3 ARG B 96 3.920 17.821 4.241 1.00 2.45 H new ATOM 0 HE ARG B 96 4.214 15.613 5.879 1.00 2.91 H new ATOM 0 HH11 ARG B 96 1.535 17.759 5.054 1.00 4.47 H new ATOM 0 HH12 ARG B 96 0.313 16.497 5.240 1.00 4.47 H new ATOM 0 HH21 ARG B 96 2.639 13.995 6.112 1.00 4.48 H new ATOM 0 HH22 ARG B 96 0.935 14.374 5.837 1.00 4.48 H new ATOM 3141 N LYS B 97 8.970 18.507 3.627 1.00 0.82 N ATOM 3142 CA LYS B 97 10.111 19.404 3.700 1.00 0.94 C ATOM 3143 C LYS B 97 10.358 20.043 2.337 1.00 0.93 C ATOM 3144 O LYS B 97 11.189 19.577 1.562 1.00 0.98 O ATOM 3145 CB LYS B 97 11.367 18.654 4.178 1.00 1.07 C ATOM 3146 CG LYS B 97 11.667 17.362 3.417 1.00 1.00 C ATOM 3147 CD LYS B 97 12.742 17.552 2.362 1.00 1.56 C ATOM 3148 CE LYS B 97 12.267 17.048 1.009 1.00 1.83 C ATOM 3149 NZ LYS B 97 13.352 16.354 0.260 1.00 2.90 N ATOM 0 H LYS B 97 9.213 17.537 3.427 1.00 0.82 H new ATOM 0 HA LYS B 97 9.890 20.188 4.424 1.00 0.94 H new ATOM 0 HB2 LYS B 97 12.226 19.319 4.091 1.00 1.07 H new ATOM 0 HB3 LYS B 97 11.252 18.418 5.236 1.00 1.07 H new ATOM 0 HG2 LYS B 97 11.984 16.593 4.122 1.00 1.00 H new ATOM 0 HG3 LYS B 97 10.754 17.002 2.942 1.00 1.00 H new ATOM 0 HD2 LYS B 97 13.004 18.607 2.290 1.00 1.56 H new ATOM 0 HD3 LYS B 97 13.645 17.018 2.657 1.00 1.56 H new ATOM 0 HE2 LYS B 97 11.430 16.365 1.150 1.00 1.83 H new ATOM 0 HE3 LYS B 97 11.898 17.887 0.419 1.00 1.83 H new ATOM 0 HZ1 LYS B 97 12.953 15.895 -0.584 1.00 2.90 H new ATOM 0 HZ2 LYS B 97 14.071 17.047 -0.031 1.00 2.90 H new ATOM 0 HZ3 LYS B 97 13.790 15.635 0.871 1.00 2.90 H new ATOM 3163 N LYS B 98 9.620 21.109 2.046 1.00 0.96 N ATOM 3164 CA LYS B 98 9.764 21.809 0.774 1.00 1.06 C ATOM 3165 C LYS B 98 10.545 23.106 0.955 1.00 1.21 C ATOM 3166 O LYS B 98 11.787 23.068 0.839 1.00 1.61 O ATOM 3167 CB LYS B 98 8.393 22.108 0.160 1.00 1.07 C ATOM 3168 CG LYS B 98 7.541 20.869 -0.084 1.00 1.07 C ATOM 3169 CD LYS B 98 6.522 21.096 -1.189 1.00 1.52 C ATOM 3170 CE LYS B 98 7.111 20.808 -2.564 1.00 2.00 C ATOM 3171 NZ LYS B 98 8.366 21.571 -2.805 1.00 2.73 N ATOM 3172 OXT LYS B 98 9.906 24.148 1.212 1.00 1.70 O ATOM 0 H LYS B 98 8.918 21.506 2.671 1.00 0.96 H new ATOM 0 HA LYS B 98 10.317 21.159 0.097 1.00 1.06 H new ATOM 0 HB2 LYS B 98 7.851 22.785 0.820 1.00 1.07 H new ATOM 0 HB3 LYS B 98 8.536 22.630 -0.786 1.00 1.07 H new ATOM 0 HG2 LYS B 98 8.185 20.031 -0.350 1.00 1.07 H new ATOM 0 HG3 LYS B 98 7.025 20.595 0.836 1.00 1.07 H new ATOM 0 HD2 LYS B 98 5.656 20.456 -1.023 1.00 1.52 H new ATOM 0 HD3 LYS B 98 6.169 22.127 -1.153 1.00 1.52 H new ATOM 0 HE2 LYS B 98 7.313 19.741 -2.656 1.00 2.00 H new ATOM 0 HE3 LYS B 98 6.380 21.061 -3.332 1.00 2.00 H new ATOM 0 HZ1 LYS B 98 8.696 21.398 -3.776 1.00 2.73 H new ATOM 0 HZ2 LYS B 98 8.185 22.587 -2.677 1.00 2.73 H new ATOM 0 HZ3 LYS B 98 9.095 21.262 -2.131 1.00 2.73 H new