USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 985 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 LYS NZ :NH3+ 177:sc= 0 (180deg=0) USER MOD Set 1.2: B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Set 2.1: A 54 THR OG1 : rot -120:sc= 0.011 USER MOD Set 2.2: A 84 GLN : amide:sc= -0.0631 K(o=-0.052,f=-1.7!) USER MOD Set 3.1: A 77 THR OG1 : rot -109:sc= 0.62 USER MOD Set 3.2: B 4 DT C7 :methyl 150:sc= -5.42! (180deg=-5.42!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.146 (180deg=-0.307) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.0461 X(o=-0.046,f=-0.37) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl -124:sc= 0 (180deg=-0.52) USER MOD Single : A 14 SER OG : rot 47:sc= 0.00218 USER MOD Single : A 16 ASN :FLIP amide:sc= -0.107 F(o=-0.72,f=-0.11) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -25:sc= 0.483 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.494 K(o=-0.49,f=-1.8) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -163:sc= 1.18 USER MOD Single : A 48 THR OG1 : rot -34:sc= 1.16 USER MOD Single : A 52 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0253) USER MOD Single : A 59 HIS :FLIP no HE2:sc= -3.2! C(o=-4.1!,f=-3.2!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -13.8! C(o=-14!,f=-15!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -5.41! C(o=-5.4!,f=-7.6!) USER MOD Single : A 76 THR OG1 : rot 177:sc= 0.59 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.252 F(o=-1.3,f=-0.25) USER MOD Single : A 86 ASN : amide:sc= -3.4! C(o=-3.4!,f=-5.2!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -122:sc= 1.13 (180deg=-0.458) USER MOD Single : A 91 THR OG1 : rot -32:sc= 0.078 USER MOD Single : A 92 LYS NZ :NH3+ -148:sc= 0.0606 (180deg=0) USER MOD Single : A 97 SER OG : rot 35:sc= 0.0943 USER MOD Single : A 104 SER OG : rot -122:sc= 0.109 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.055) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot 75:sc= 0.0701 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.0383 USER MOD Single : B 1 DT O5' : rot -10:sc= 0.209 USER MOD Single : B 2 DT C7 :methyl -30:sc= -5.96! (180deg=-11.5!) USER MOD Single : B 3 DT C7 :methyl -30:sc= -24.5! (180deg=-29.1!) USER MOD Single : B 5 DT C7 :methyl -30:sc= -9.34! (180deg=-9.49!) USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT B 1 -15.245 4.624 9.839 1.00 5.66 O ATOM 2 C5' DT B 1 -15.148 5.518 8.728 1.00 5.17 C ATOM 3 C4' DT B 1 -14.902 4.755 7.448 1.00 4.80 C ATOM 4 O4' DT B 1 -14.759 5.694 6.356 1.00 5.88 O ATOM 5 C3' DT B 1 -13.626 3.920 7.434 1.00 3.88 C ATOM 6 O3' DT B 1 -13.796 2.778 6.592 1.00 2.98 O ATOM 7 C2' DT B 1 -12.598 4.869 6.850 1.00 4.69 C ATOM 8 C1' DT B 1 -13.420 5.697 5.876 1.00 5.87 C ATOM 9 N1 DT B 1 -12.988 7.100 5.760 1.00 6.57 N ATOM 10 C2 DT B 1 -13.188 7.746 4.561 1.00 7.69 C ATOM 11 O2 DT B 1 -13.700 7.210 3.592 1.00 8.15 O ATOM 12 N3 DT B 1 -12.761 9.048 4.537 1.00 8.42 N ATOM 13 C4 DT B 1 -12.167 9.750 5.567 1.00 8.27 C ATOM 14 O4 DT B 1 -11.821 10.916 5.393 1.00 9.17 O ATOM 15 C5 DT B 1 -11.988 9.010 6.795 1.00 7.17 C ATOM 16 C7 DT B 1 -11.353 9.691 7.966 1.00 7.24 C ATOM 17 C6 DT B 1 -12.401 7.736 6.834 1.00 6.30 C ATOM 0 H5' DT B 1 -14.338 6.228 8.896 1.00 5.17 H new ATOM 0 H5'' DT B 1 -16.067 6.098 8.640 1.00 5.17 H new ATOM 0 H4' DT B 1 -15.756 4.084 7.355 1.00 4.80 H new ATOM 0 H3' DT B 1 -13.344 3.539 8.416 1.00 3.88 H new ATOM 0 H2' DT B 1 -12.137 5.489 7.619 1.00 4.69 H new ATOM 0 H2'' DT B 1 -11.793 4.334 6.347 1.00 4.69 H new ATOM 0 HO5' DT B 1 -15.285 3.701 9.513 1.00 5.66 H new ATOM 0 H1' DT B 1 -13.302 5.251 4.888 1.00 5.87 H new ATOM 0 H3 DT B 1 -12.897 9.554 3.662 1.00 8.42 H new ATOM 0 H71 DT B 1 -11.744 9.266 8.890 1.00 7.24 H new ATOM 0 H72 DT B 1 -10.273 9.547 7.929 1.00 7.24 H new ATOM 0 H73 DT B 1 -11.578 10.757 7.933 1.00 7.24 H new ATOM 0 H6 DT B 1 -12.268 7.180 7.750 1.00 6.30 H new ATOM 31 P DT B 2 -14.515 1.466 7.173 1.00 2.13 P ATOM 32 OP1 DT B 2 -15.359 0.889 6.096 1.00 2.54 O ATOM 33 OP2 DT B 2 -15.132 1.827 8.475 1.00 2.81 O ATOM 34 O5' DT B 2 -13.307 0.469 7.458 1.00 1.38 O ATOM 35 C5' DT B 2 -13.298 -0.843 6.907 1.00 1.02 C ATOM 36 C4' DT B 2 -12.295 -0.931 5.779 1.00 0.74 C ATOM 37 O4' DT B 2 -11.079 -0.257 6.164 1.00 0.60 O ATOM 38 C3' DT B 2 -11.858 -2.345 5.418 1.00 0.78 C ATOM 39 O3' DT B 2 -12.709 -2.904 4.415 1.00 1.06 O ATOM 40 C2' DT B 2 -10.471 -2.127 4.852 1.00 0.67 C ATOM 41 C1' DT B 2 -9.949 -1.009 5.736 1.00 0.52 C ATOM 42 N1 DT B 2 -9.229 -1.488 6.922 1.00 0.50 N ATOM 43 C2 DT B 2 -9.281 -0.772 8.102 1.00 0.56 C ATOM 44 O2 DT B 2 -9.856 0.298 8.225 1.00 0.61 O ATOM 45 N3 DT B 2 -8.617 -1.353 9.143 1.00 0.60 N ATOM 46 C4 DT B 2 -7.938 -2.551 9.135 1.00 0.59 C ATOM 47 O4 DT B 2 -7.462 -2.988 10.179 1.00 0.68 O ATOM 48 C5 DT B 2 -7.913 -3.236 7.870 1.00 0.54 C ATOM 49 C7 DT B 2 -7.297 -4.598 7.800 1.00 0.60 C ATOM 50 C6 DT B 2 -8.539 -2.673 6.833 1.00 0.49 C ATOM 0 H5' DT B 2 -14.292 -1.097 6.540 1.00 1.02 H new ATOM 0 H5'' DT B 2 -13.049 -1.568 7.682 1.00 1.02 H new ATOM 0 H4' DT B 2 -12.808 -0.488 4.925 1.00 0.74 H new ATOM 0 H3' DT B 2 -11.892 -3.032 6.264 1.00 0.78 H new ATOM 0 H2' DT B 2 -9.856 -3.024 4.920 1.00 0.67 H new ATOM 0 H2'' DT B 2 -10.499 -1.839 3.801 1.00 0.67 H new ATOM 0 H1' DT B 2 -9.237 -0.421 5.157 1.00 0.52 H new ATOM 0 H3 DT B 2 -8.624 -0.843 10.026 1.00 0.60 H new ATOM 0 H71 DT B 2 -6.508 -4.679 8.547 1.00 0.60 H new ATOM 0 H72 DT B 2 -8.059 -5.353 7.994 1.00 0.60 H new ATOM 0 H73 DT B 2 -6.875 -4.756 6.808 1.00 0.60 H new ATOM 0 H6 DT B 2 -8.501 -3.174 5.877 1.00 0.49 H new ATOM 63 P DT B 3 -14.001 -3.761 4.832 1.00 0.89 P ATOM 64 OP1 DT B 3 -14.709 -3.079 5.943 1.00 1.15 O ATOM 65 OP2 DT B 3 -13.587 -5.179 4.989 1.00 1.24 O ATOM 66 O5' DT B 3 -14.928 -3.663 3.541 1.00 0.73 O ATOM 67 C5' DT B 3 -14.571 -4.338 2.336 1.00 0.77 C ATOM 68 C4' DT B 3 -13.944 -3.377 1.353 1.00 0.53 C ATOM 69 O4' DT B 3 -13.846 -2.056 1.931 1.00 0.47 O ATOM 70 C3' DT B 3 -12.518 -3.739 0.917 1.00 0.58 C ATOM 71 O3' DT B 3 -12.430 -3.865 -0.512 1.00 0.73 O ATOM 72 C2' DT B 3 -11.675 -2.556 1.376 1.00 0.60 C ATOM 73 C1' DT B 3 -12.701 -1.453 1.376 1.00 0.41 C ATOM 74 N1 DT B 3 -12.386 -0.242 2.164 1.00 0.37 N ATOM 75 C2 DT B 3 -13.402 0.670 2.299 1.00 0.49 C ATOM 76 O2 DT B 3 -14.504 0.518 1.800 1.00 0.59 O ATOM 77 N3 DT B 3 -13.087 1.772 3.041 1.00 0.63 N ATOM 78 C4 DT B 3 -11.896 2.041 3.668 1.00 0.70 C ATOM 79 O4 DT B 3 -11.783 3.055 4.353 1.00 0.92 O ATOM 80 C5 DT B 3 -10.865 1.058 3.478 1.00 0.63 C ATOM 81 C7 DT B 3 -9.570 1.252 4.197 1.00 0.87 C ATOM 82 C6 DT B 3 -11.146 -0.027 2.737 1.00 0.47 C ATOM 0 H5' DT B 3 -15.456 -4.794 1.893 1.00 0.77 H new ATOM 0 H5'' DT B 3 -13.874 -5.146 2.558 1.00 0.77 H new ATOM 0 H4' DT B 3 -14.603 -3.425 0.486 1.00 0.53 H new ATOM 0 H3' DT B 3 -12.194 -4.691 1.338 1.00 0.58 H new ATOM 0 H2' DT B 3 -11.243 -2.717 2.364 1.00 0.60 H new ATOM 0 H2'' DT B 3 -10.849 -2.350 0.696 1.00 0.60 H new ATOM 0 H1' DT B 3 -12.790 -1.077 0.357 1.00 0.41 H new ATOM 0 H3 DT B 3 -13.820 2.475 3.141 1.00 0.63 H new ATOM 0 H71 DT B 3 -9.386 2.318 4.334 1.00 0.87 H new ATOM 0 H72 DT B 3 -9.618 0.764 5.170 1.00 0.87 H new ATOM 0 H73 DT B 3 -8.760 0.816 3.612 1.00 0.87 H new ATOM 0 H6 DT B 3 -10.370 -0.762 2.582 1.00 0.47 H new ATOM 95 P DT B 4 -13.769 -3.967 -1.400 1.00 0.58 P ATOM 96 OP1 DT B 4 -14.599 -2.752 -1.190 1.00 1.18 O ATOM 97 OP2 DT B 4 -14.361 -5.309 -1.170 1.00 1.05 O ATOM 98 O5' DT B 4 -13.238 -3.910 -2.899 1.00 0.57 O ATOM 99 C5' DT B 4 -13.727 -2.923 -3.805 1.00 0.56 C ATOM 100 C4' DT B 4 -12.897 -1.666 -3.705 1.00 0.43 C ATOM 101 O4' DT B 4 -11.893 -1.847 -2.684 1.00 0.42 O ATOM 102 C3' DT B 4 -12.138 -1.310 -4.984 1.00 0.46 C ATOM 103 O3' DT B 4 -12.734 -0.172 -5.612 1.00 0.68 O ATOM 104 C2' DT B 4 -10.726 -0.975 -4.520 1.00 0.39 C ATOM 105 C1' DT B 4 -10.763 -1.067 -3.002 1.00 0.38 C ATOM 106 N1 DT B 4 -9.587 -1.712 -2.383 1.00 0.37 N ATOM 107 C2 DT B 4 -8.325 -1.350 -2.802 1.00 0.45 C ATOM 108 O2 DT B 4 -8.119 -0.515 -3.668 1.00 0.56 O ATOM 109 N3 DT B 4 -7.301 -2.004 -2.167 1.00 0.48 N ATOM 110 C4 DT B 4 -7.409 -2.958 -1.176 1.00 0.40 C ATOM 111 O4 DT B 4 -6.391 -3.438 -0.673 1.00 0.44 O ATOM 112 C5 DT B 4 -8.759 -3.289 -0.785 1.00 0.39 C ATOM 113 C7 DT B 4 -8.971 -4.299 0.295 1.00 0.49 C ATOM 114 C6 DT B 4 -9.770 -2.660 -1.399 1.00 0.39 C ATOM 0 H5' DT B 4 -14.770 -2.698 -3.581 1.00 0.56 H new ATOM 0 H5'' DT B 4 -13.696 -3.308 -4.824 1.00 0.56 H new ATOM 0 H4' DT B 4 -13.605 -0.866 -3.490 1.00 0.43 H new ATOM 0 H3' DT B 4 -12.152 -2.122 -5.711 1.00 0.46 H new ATOM 0 H2' DT B 4 -10.000 -1.673 -4.938 1.00 0.39 H new ATOM 0 H2'' DT B 4 -10.433 0.023 -4.845 1.00 0.39 H new ATOM 0 H1' DT B 4 -10.783 -0.048 -2.615 1.00 0.38 H new ATOM 0 H3 DT B 4 -6.355 -1.758 -2.459 1.00 0.48 H new ATOM 0 H71 DT B 4 -9.893 -4.072 0.830 1.00 0.49 H new ATOM 0 H72 DT B 4 -9.043 -5.293 -0.146 1.00 0.49 H new ATOM 0 H73 DT B 4 -8.132 -4.270 0.990 1.00 0.49 H new ATOM 0 H6 DT B 4 -10.780 -2.908 -1.108 1.00 0.39 H new ATOM 127 P DT B 5 -12.653 -0.011 -7.209 1.00 0.49 P ATOM 128 OP1 DT B 5 -11.864 1.209 -7.515 1.00 1.05 O ATOM 129 OP2 DT B 5 -14.037 -0.138 -7.732 1.00 0.90 O ATOM 130 O5' DT B 5 -11.815 -1.279 -7.687 1.00 0.57 O ATOM 131 C5' DT B 5 -12.413 -2.293 -8.493 1.00 0.54 C ATOM 132 C4' DT B 5 -11.449 -2.737 -9.570 1.00 0.42 C ATOM 133 O4' DT B 5 -10.114 -2.784 -9.013 1.00 0.34 O ATOM 134 C3' DT B 5 -11.705 -4.135 -10.127 1.00 0.45 C ATOM 135 O3' DT B 5 -11.255 -4.227 -11.484 1.00 0.50 O ATOM 136 C2' DT B 5 -10.867 -5.014 -9.220 1.00 0.39 C ATOM 137 C1' DT B 5 -9.665 -4.132 -8.918 1.00 0.32 C ATOM 138 N1 DT B 5 -9.076 -4.319 -7.574 1.00 0.26 N ATOM 139 C2 DT B 5 -7.723 -4.540 -7.490 1.00 0.29 C ATOM 140 O2 DT B 5 -6.996 -4.607 -8.469 1.00 0.36 O ATOM 141 N3 DT B 5 -7.245 -4.674 -6.214 1.00 0.28 N ATOM 142 C4 DT B 5 -7.965 -4.596 -5.041 1.00 0.28 C ATOM 143 O4 DT B 5 -7.385 -4.664 -3.962 1.00 0.34 O ATOM 144 C5 DT B 5 -9.381 -4.381 -5.205 1.00 0.28 C ATOM 145 C7 DT B 5 -10.241 -4.284 -3.984 1.00 0.38 C ATOM 146 C6 DT B 5 -9.867 -4.258 -6.446 1.00 0.26 C ATOM 0 H5' DT B 5 -13.329 -1.914 -8.947 1.00 0.54 H new ATOM 0 H5'' DT B 5 -12.693 -3.144 -7.872 1.00 0.54 H new ATOM 0 H4' DT B 5 -11.578 -2.016 -10.377 1.00 0.42 H new ATOM 0 H3' DT B 5 -12.759 -4.412 -10.143 1.00 0.45 H new ATOM 0 H2' DT B 5 -11.405 -5.290 -8.313 1.00 0.39 H new ATOM 0 H2'' DT B 5 -10.575 -5.942 -9.712 1.00 0.39 H new ATOM 0 H1' DT B 5 -8.883 -4.398 -9.629 1.00 0.32 H new ATOM 0 H3 DT B 5 -6.245 -4.851 -6.121 1.00 0.28 H new ATOM 0 H71 DT B 5 -9.809 -4.888 -3.186 1.00 0.38 H new ATOM 0 H72 DT B 5 -10.299 -3.244 -3.661 1.00 0.38 H new ATOM 0 H73 DT B 5 -11.242 -4.649 -4.214 1.00 0.38 H new ATOM 0 H6 DT B 5 -10.929 -4.104 -6.570 1.00 0.26 H new ATOM 159 P DT B 6 -11.583 -5.544 -12.348 1.00 0.71 P ATOM 160 OP1 DT B 6 -12.450 -5.146 -13.484 1.00 0.80 O ATOM 161 OP2 DT B 6 -12.034 -6.615 -11.422 1.00 1.10 O ATOM 162 O5' DT B 6 -10.167 -5.979 -12.934 1.00 0.88 O ATOM 163 C5' DT B 6 -9.198 -5.003 -13.311 1.00 0.95 C ATOM 164 C4' DT B 6 -8.071 -4.972 -12.307 1.00 0.76 C ATOM 165 O4' DT B 6 -8.140 -6.159 -11.478 1.00 0.52 O ATOM 166 C3' DT B 6 -6.673 -4.983 -12.923 1.00 0.75 C ATOM 167 O3' DT B 6 -6.178 -3.651 -13.068 1.00 1.10 O ATOM 168 C2' DT B 6 -5.859 -5.759 -11.905 1.00 0.71 C ATOM 169 C1' DT B 6 -6.863 -6.779 -11.399 1.00 0.48 C ATOM 170 N1 DT B 6 -6.917 -8.027 -12.186 1.00 0.49 N ATOM 171 C2 DT B 6 -5.842 -8.887 -12.124 1.00 0.74 C ATOM 172 O2 DT B 6 -4.848 -8.668 -11.451 1.00 0.90 O ATOM 173 N3 DT B 6 -5.974 -10.023 -12.881 1.00 0.92 N ATOM 174 C4 DT B 6 -7.047 -10.374 -13.675 1.00 0.95 C ATOM 175 O4 DT B 6 -7.027 -11.433 -14.299 1.00 1.22 O ATOM 176 C5 DT B 6 -8.138 -9.426 -13.694 1.00 0.77 C ATOM 177 C7 DT B 6 -9.346 -9.726 -14.524 1.00 1.00 C ATOM 178 C6 DT B 6 -8.023 -8.313 -12.959 1.00 0.53 C ATOM 0 H5' DT B 6 -9.666 -4.021 -13.374 1.00 0.95 H new ATOM 0 H5'' DT B 6 -8.806 -5.233 -14.302 1.00 0.95 H new ATOM 0 H4' DT B 6 -8.204 -4.039 -11.760 1.00 0.76 H new ATOM 0 H3' DT B 6 -6.640 -5.422 -13.920 1.00 0.75 H new ATOM 0 H2' DT B 6 -4.989 -6.235 -12.357 1.00 0.71 H new ATOM 0 H2'' DT B 6 -5.492 -5.118 -11.104 1.00 0.71 H new ATOM 0 HO3' DT B 6 -5.281 -3.676 -13.462 1.00 1.10 H new ATOM 0 H1' DT B 6 -6.564 -7.066 -10.391 1.00 0.48 H new ATOM 0 H3 DT B 6 -5.194 -10.680 -12.854 1.00 0.92 H new ATOM 0 H71 DT B 6 -10.225 -9.272 -14.065 1.00 1.00 H new ATOM 0 H72 DT B 6 -9.209 -9.319 -15.526 1.00 1.00 H new ATOM 0 H73 DT B 6 -9.486 -10.805 -14.586 1.00 1.00 H new ATOM 0 H6 DT B 6 -8.837 -7.603 -12.972 1.00 0.53 H new TER 192 DT B 6 ATOM 193 N MET A 1 10.857 -2.462 14.235 1.00 0.49 N ATOM 194 CA MET A 1 9.462 -2.977 14.215 1.00 0.49 C ATOM 195 C MET A 1 8.844 -2.831 12.829 1.00 0.45 C ATOM 196 O MET A 1 7.625 -2.907 12.671 1.00 0.44 O ATOM 197 CB MET A 1 8.612 -2.229 15.244 1.00 0.50 C ATOM 198 CG MET A 1 9.007 -2.513 16.683 1.00 0.54 C ATOM 199 SD MET A 1 7.592 -2.903 17.730 1.00 0.57 S ATOM 200 CE MET A 1 8.362 -3.943 18.967 1.00 0.61 C ATOM 0 H1 MET A 1 11.213 -2.463 15.212 1.00 0.49 H new ATOM 0 H2 MET A 1 11.460 -3.071 13.646 1.00 0.49 H new ATOM 0 H3 MET A 1 10.874 -1.492 13.861 1.00 0.49 H new ATOM 0 HA MET A 1 9.488 -4.037 14.469 1.00 0.49 H new ATOM 0 HB2 MET A 1 8.692 -1.158 15.059 1.00 0.50 H new ATOM 0 HB3 MET A 1 7.565 -2.499 15.103 1.00 0.50 H new ATOM 0 HG2 MET A 1 9.710 -3.346 16.705 1.00 0.54 H new ATOM 0 HG3 MET A 1 9.527 -1.646 17.090 1.00 0.54 H new ATOM 0 HE1 MET A 1 7.612 -4.266 19.689 1.00 0.61 H new ATOM 0 HE2 MET A 1 8.802 -4.817 18.486 1.00 0.61 H new ATOM 0 HE3 MET A 1 9.142 -3.381 19.481 1.00 0.61 H new ATOM 212 N GLU A 2 9.692 -2.619 11.829 1.00 0.43 N ATOM 213 CA GLU A 2 9.228 -2.463 10.454 1.00 0.40 C ATOM 214 C GLU A 2 9.805 -3.553 9.557 1.00 0.40 C ATOM 215 O GLU A 2 11.014 -3.786 9.544 1.00 0.42 O ATOM 216 CB GLU A 2 9.618 -1.086 9.912 1.00 0.38 C ATOM 217 CG GLU A 2 10.993 -0.618 10.365 1.00 0.39 C ATOM 218 CD GLU A 2 10.926 0.591 11.274 1.00 0.40 C ATOM 219 OE1 GLU A 2 10.216 1.558 10.927 1.00 0.38 O ATOM 220 OE2 GLU A 2 11.588 0.575 12.334 1.00 0.42 O ATOM 0 H GLU A 2 10.703 -2.551 11.944 1.00 0.43 H new ATOM 0 HA GLU A 2 8.142 -2.552 10.454 1.00 0.40 H new ATOM 0 HB2 GLU A 2 9.594 -1.114 8.823 1.00 0.38 H new ATOM 0 HB3 GLU A 2 8.873 -0.356 10.229 1.00 0.38 H new ATOM 0 HG2 GLU A 2 11.496 -1.432 10.886 1.00 0.39 H new ATOM 0 HG3 GLU A 2 11.597 -0.377 9.490 1.00 0.39 H new ATOM 227 N GLU A 3 8.931 -4.219 8.809 1.00 0.39 N ATOM 228 CA GLU A 3 9.354 -5.286 7.907 1.00 0.40 C ATOM 229 C GLU A 3 9.547 -4.761 6.485 1.00 0.37 C ATOM 230 O GLU A 3 9.198 -3.620 6.182 1.00 0.35 O ATOM 231 CB GLU A 3 8.333 -6.424 7.916 1.00 0.41 C ATOM 232 CG GLU A 3 7.087 -6.141 7.090 1.00 0.38 C ATOM 233 CD GLU A 3 5.874 -6.902 7.587 1.00 0.39 C ATOM 234 OE1 GLU A 3 5.700 -8.072 7.182 1.00 0.41 O ATOM 235 OE2 GLU A 3 5.098 -6.329 8.380 1.00 0.39 O ATOM 0 H GLU A 3 7.927 -4.040 8.809 1.00 0.39 H new ATOM 0 HA GLU A 3 10.312 -5.667 8.261 1.00 0.40 H new ATOM 0 HB2 GLU A 3 8.809 -7.329 7.539 1.00 0.41 H new ATOM 0 HB3 GLU A 3 8.037 -6.625 8.946 1.00 0.41 H new ATOM 0 HG2 GLU A 3 6.875 -5.072 7.113 1.00 0.38 H new ATOM 0 HG3 GLU A 3 7.277 -6.406 6.050 1.00 0.38 H new ATOM 242 N LYS A 4 10.105 -5.602 5.620 1.00 0.39 N ATOM 243 CA LYS A 4 10.349 -5.232 4.231 1.00 0.37 C ATOM 244 C LYS A 4 9.232 -5.743 3.326 1.00 0.36 C ATOM 245 O LYS A 4 8.344 -6.471 3.766 1.00 0.37 O ATOM 246 CB LYS A 4 11.695 -5.791 3.767 1.00 0.41 C ATOM 247 CG LYS A 4 12.011 -7.171 4.316 1.00 0.44 C ATOM 248 CD LYS A 4 12.811 -7.091 5.607 1.00 0.46 C ATOM 249 CE LYS A 4 14.299 -7.269 5.354 1.00 0.49 C ATOM 250 NZ LYS A 4 14.960 -8.040 6.442 1.00 0.52 N ATOM 0 H LYS A 4 10.398 -6.549 5.859 1.00 0.39 H new ATOM 0 HA LYS A 4 10.371 -4.144 4.167 1.00 0.37 H new ATOM 0 HB2 LYS A 4 11.704 -5.833 2.678 1.00 0.41 H new ATOM 0 HB3 LYS A 4 12.485 -5.102 4.065 1.00 0.41 H new ATOM 0 HG2 LYS A 4 11.082 -7.713 4.496 1.00 0.44 H new ATOM 0 HG3 LYS A 4 12.573 -7.738 3.574 1.00 0.44 H new ATOM 0 HD2 LYS A 4 12.635 -6.128 6.086 1.00 0.46 H new ATOM 0 HD3 LYS A 4 12.464 -7.859 6.299 1.00 0.46 H new ATOM 0 HE2 LYS A 4 14.447 -7.783 4.404 1.00 0.49 H new ATOM 0 HE3 LYS A 4 14.771 -6.291 5.264 1.00 0.49 H new ATOM 0 HZ1 LYS A 4 15.974 -8.139 6.231 1.00 0.52 H new ATOM 0 HZ2 LYS A 4 14.842 -7.537 7.345 1.00 0.52 H new ATOM 0 HZ3 LYS A 4 14.527 -8.983 6.511 1.00 0.52 H new ATOM 264 N VAL A 5 9.286 -5.351 2.055 1.00 0.35 N ATOM 265 CA VAL A 5 8.285 -5.764 1.078 1.00 0.34 C ATOM 266 C VAL A 5 8.466 -7.229 0.693 1.00 0.37 C ATOM 267 O VAL A 5 7.491 -7.950 0.483 1.00 0.37 O ATOM 268 CB VAL A 5 8.356 -4.891 -0.193 1.00 0.32 C ATOM 269 CG1 VAL A 5 7.312 -5.325 -1.209 1.00 0.31 C ATOM 270 CG2 VAL A 5 8.182 -3.421 0.157 1.00 0.29 C ATOM 0 H VAL A 5 10.015 -4.746 1.678 1.00 0.35 H new ATOM 0 HA VAL A 5 7.308 -5.636 1.544 1.00 0.34 H new ATOM 0 HB VAL A 5 9.341 -5.025 -0.641 1.00 0.32 H new ATOM 0 HG11 VAL A 5 7.383 -4.694 -2.095 1.00 0.31 H new ATOM 0 HG12 VAL A 5 7.486 -6.364 -1.488 1.00 0.31 H new ATOM 0 HG13 VAL A 5 6.318 -5.228 -0.773 1.00 0.31 H new ATOM 0 HG21 VAL A 5 8.235 -2.822 -0.752 1.00 0.29 H new ATOM 0 HG22 VAL A 5 7.213 -3.273 0.633 1.00 0.29 H new ATOM 0 HG23 VAL A 5 8.973 -3.114 0.841 1.00 0.29 H new ATOM 280 N GLY A 6 9.719 -7.665 0.610 1.00 0.41 N ATOM 281 CA GLY A 6 10.004 -9.040 0.248 1.00 0.44 C ATOM 282 C GLY A 6 9.778 -10.006 1.395 1.00 0.46 C ATOM 283 O GLY A 6 10.045 -11.202 1.269 1.00 0.50 O ATOM 0 H GLY A 6 10.542 -7.089 0.787 1.00 0.41 H new ATOM 0 HA2 GLY A 6 9.374 -9.328 -0.594 1.00 0.44 H new ATOM 0 HA3 GLY A 6 11.038 -9.116 -0.087 1.00 0.44 H new ATOM 287 N ASN A 7 9.285 -9.490 2.517 1.00 0.44 N ATOM 288 CA ASN A 7 9.026 -10.316 3.691 1.00 0.47 C ATOM 289 C ASN A 7 7.606 -10.114 4.209 1.00 0.44 C ATOM 290 O ASN A 7 7.203 -10.734 5.194 1.00 0.46 O ATOM 291 CB ASN A 7 10.027 -9.988 4.794 1.00 0.48 C ATOM 292 CG ASN A 7 10.283 -11.160 5.719 1.00 0.52 C ATOM 293 OD1 ASN A 7 10.469 -12.292 5.273 1.00 0.54 O ATOM 294 ND2 ASN A 7 10.293 -10.892 7.021 1.00 0.52 N ATOM 0 H ASN A 7 9.057 -8.503 2.638 1.00 0.44 H new ATOM 0 HA ASN A 7 9.137 -11.360 3.396 1.00 0.47 H new ATOM 0 HB2 ASN A 7 10.968 -9.674 4.343 1.00 0.48 H new ATOM 0 HB3 ASN A 7 9.656 -9.145 5.377 1.00 0.48 H new ATOM 0 HD21 ASN A 7 10.460 -11.640 7.694 1.00 0.52 H new ATOM 0 HD22 ASN A 7 10.134 -9.939 7.347 1.00 0.52 H new ATOM 301 N LEU A 8 6.849 -9.244 3.547 1.00 0.41 N ATOM 302 CA LEU A 8 5.477 -8.967 3.956 1.00 0.39 C ATOM 303 C LEU A 8 4.542 -10.097 3.537 1.00 0.40 C ATOM 304 O LEU A 8 4.835 -10.849 2.606 1.00 0.42 O ATOM 305 CB LEU A 8 4.998 -7.640 3.357 1.00 0.35 C ATOM 306 CG LEU A 8 4.244 -7.757 2.030 1.00 0.33 C ATOM 307 CD1 LEU A 8 2.741 -7.744 2.264 1.00 0.32 C ATOM 308 CD2 LEU A 8 4.642 -6.639 1.087 1.00 0.30 C ATOM 0 H LEU A 8 7.161 -8.721 2.729 1.00 0.41 H new ATOM 0 HA LEU A 8 5.459 -8.892 5.043 1.00 0.39 H new ATOM 0 HB2 LEU A 8 4.351 -7.146 4.082 1.00 0.35 H new ATOM 0 HB3 LEU A 8 5.863 -6.994 3.209 1.00 0.35 H new ATOM 0 HG LEU A 8 4.513 -8.708 1.569 1.00 0.33 H new ATOM 0 HD11 LEU A 8 2.223 -7.828 1.308 1.00 0.32 H new ATOM 0 HD12 LEU A 8 2.465 -8.584 2.902 1.00 0.32 H new ATOM 0 HD13 LEU A 8 2.456 -6.811 2.750 1.00 0.32 H new ATOM 0 HD21 LEU A 8 4.094 -6.741 0.150 1.00 0.30 H new ATOM 0 HD22 LEU A 8 4.406 -5.677 1.542 1.00 0.30 H new ATOM 0 HD23 LEU A 8 5.713 -6.693 0.889 1.00 0.30 H new ATOM 320 N LYS A 9 3.416 -10.203 4.230 1.00 0.40 N ATOM 321 CA LYS A 9 2.423 -11.223 3.931 1.00 0.42 C ATOM 322 C LYS A 9 1.014 -10.640 4.045 1.00 0.40 C ATOM 323 O LYS A 9 0.792 -9.694 4.800 1.00 0.39 O ATOM 324 CB LYS A 9 2.590 -12.421 4.861 1.00 0.46 C ATOM 325 CG LYS A 9 2.090 -12.181 6.276 1.00 0.47 C ATOM 326 CD LYS A 9 1.066 -13.225 6.688 1.00 0.50 C ATOM 327 CE LYS A 9 1.712 -14.361 7.463 1.00 0.54 C ATOM 328 NZ LYS A 9 1.347 -14.331 8.905 1.00 0.56 N ATOM 0 H LYS A 9 3.168 -9.591 5.007 1.00 0.40 H new ATOM 0 HA LYS A 9 2.572 -11.565 2.907 1.00 0.42 H new ATOM 0 HB2 LYS A 9 2.057 -13.273 4.438 1.00 0.46 H new ATOM 0 HB3 LYS A 9 3.645 -12.693 4.901 1.00 0.46 H new ATOM 0 HG2 LYS A 9 2.931 -12.201 6.969 1.00 0.47 H new ATOM 0 HG3 LYS A 9 1.646 -11.188 6.343 1.00 0.47 H new ATOM 0 HD2 LYS A 9 0.294 -12.758 7.300 1.00 0.50 H new ATOM 0 HD3 LYS A 9 0.572 -13.622 5.801 1.00 0.50 H new ATOM 0 HE2 LYS A 9 1.406 -15.314 7.031 1.00 0.54 H new ATOM 0 HE3 LYS A 9 2.796 -14.298 7.362 1.00 0.54 H new ATOM 0 HZ1 LYS A 9 1.809 -15.123 9.397 1.00 0.56 H new ATOM 0 HZ2 LYS A 9 1.661 -13.433 9.324 1.00 0.56 H new ATOM 0 HZ3 LYS A 9 0.315 -14.417 9.004 1.00 0.56 H new ATOM 342 N PRO A 10 0.043 -11.190 3.294 1.00 0.40 N ATOM 343 CA PRO A 10 -1.335 -10.699 3.315 1.00 0.39 C ATOM 344 C PRO A 10 -2.112 -11.167 4.544 1.00 0.41 C ATOM 345 O PRO A 10 -1.666 -12.058 5.267 1.00 0.45 O ATOM 346 CB PRO A 10 -1.935 -11.303 2.048 1.00 0.38 C ATOM 347 CG PRO A 10 -1.181 -12.572 1.842 1.00 0.42 C ATOM 348 CD PRO A 10 0.210 -12.332 2.371 1.00 0.42 C ATOM 0 HA PRO A 10 -1.377 -9.611 3.357 1.00 0.39 H new ATOM 0 HB2 PRO A 10 -3.002 -11.491 2.166 1.00 0.38 H new ATOM 0 HB3 PRO A 10 -1.821 -10.632 1.197 1.00 0.38 H new ATOM 0 HG2 PRO A 10 -1.660 -13.398 2.369 1.00 0.42 H new ATOM 0 HG3 PRO A 10 -1.154 -12.840 0.786 1.00 0.42 H new ATOM 0 HD2 PRO A 10 0.599 -13.210 2.887 1.00 0.42 H new ATOM 0 HD3 PRO A 10 0.909 -12.099 1.568 1.00 0.42 H new ATOM 356 N ASN A 11 -3.266 -10.538 4.775 1.00 0.41 N ATOM 357 CA ASN A 11 -4.139 -10.887 5.895 1.00 0.44 C ATOM 358 C ASN A 11 -3.554 -10.438 7.231 1.00 0.45 C ATOM 359 O ASN A 11 -3.818 -11.045 8.270 1.00 0.49 O ATOM 360 CB ASN A 11 -4.418 -12.396 5.919 1.00 0.47 C ATOM 361 CG ASN A 11 -5.756 -12.747 5.298 1.00 0.47 C ATOM 362 OD1 ASN A 11 -6.750 -12.932 5.999 1.00 0.50 O ATOM 363 ND2 ASN A 11 -5.787 -12.842 3.973 1.00 0.45 N ATOM 0 H ASN A 11 -3.619 -9.777 4.195 1.00 0.41 H new ATOM 0 HA ASN A 11 -5.080 -10.357 5.748 1.00 0.44 H new ATOM 0 HB2 ASN A 11 -3.624 -12.918 5.384 1.00 0.47 H new ATOM 0 HB3 ASN A 11 -4.395 -12.751 6.949 1.00 0.47 H new ATOM 0 HD21 ASN A 11 -6.659 -13.076 3.499 1.00 0.45 H new ATOM 0 HD22 ASN A 11 -4.939 -12.680 3.430 1.00 0.45 H new ATOM 370 N MET A 12 -2.761 -9.372 7.199 1.00 0.43 N ATOM 371 CA MET A 12 -2.155 -8.836 8.414 1.00 0.44 C ATOM 372 C MET A 12 -2.794 -7.504 8.785 1.00 0.43 C ATOM 373 O MET A 12 -2.829 -6.578 7.976 1.00 0.40 O ATOM 374 CB MET A 12 -0.649 -8.658 8.231 1.00 0.43 C ATOM 375 CG MET A 12 0.096 -9.967 8.035 1.00 0.45 C ATOM 376 SD MET A 12 1.672 -10.005 8.909 1.00 0.47 S ATOM 377 CE MET A 12 2.645 -8.891 7.901 1.00 0.43 C ATOM 0 H MET A 12 -2.523 -8.863 6.348 1.00 0.43 H new ATOM 0 HA MET A 12 -2.327 -9.547 9.222 1.00 0.44 H new ATOM 0 HB2 MET A 12 -0.469 -8.014 7.370 1.00 0.43 H new ATOM 0 HB3 MET A 12 -0.243 -8.145 9.103 1.00 0.43 H new ATOM 0 HG2 MET A 12 -0.528 -10.791 8.382 1.00 0.45 H new ATOM 0 HG3 MET A 12 0.271 -10.125 6.971 1.00 0.45 H new ATOM 0 HE1 MET A 12 3.546 -9.402 7.560 1.00 0.43 H new ATOM 0 HE2 MET A 12 2.059 -8.575 7.038 1.00 0.43 H new ATOM 0 HE3 MET A 12 2.924 -8.017 8.490 1.00 0.43 H new ATOM 387 N GLU A 13 -3.300 -7.414 10.009 1.00 0.47 N ATOM 388 CA GLU A 13 -3.942 -6.191 10.480 1.00 0.47 C ATOM 389 C GLU A 13 -2.905 -5.198 10.993 1.00 0.46 C ATOM 390 O GLU A 13 -3.242 -4.229 11.676 1.00 0.48 O ATOM 391 CB GLU A 13 -4.956 -6.507 11.582 1.00 0.51 C ATOM 392 CG GLU A 13 -5.501 -7.927 11.527 1.00 0.53 C ATOM 393 CD GLU A 13 -6.916 -8.027 12.061 1.00 0.56 C ATOM 394 OE1 GLU A 13 -7.722 -7.112 11.786 1.00 0.55 O ATOM 395 OE2 GLU A 13 -7.218 -9.021 12.754 1.00 0.59 O ATOM 0 H GLU A 13 -3.279 -8.171 10.693 1.00 0.47 H new ATOM 0 HA GLU A 13 -4.467 -5.740 9.638 1.00 0.47 H new ATOM 0 HB2 GLU A 13 -4.486 -6.346 12.552 1.00 0.51 H new ATOM 0 HB3 GLU A 13 -5.787 -5.806 11.510 1.00 0.51 H new ATOM 0 HG2 GLU A 13 -5.479 -8.281 10.496 1.00 0.53 H new ATOM 0 HG3 GLU A 13 -4.851 -8.585 12.104 1.00 0.53 H new ATOM 402 N SER A 14 -1.643 -5.444 10.659 1.00 0.45 N ATOM 403 CA SER A 14 -0.555 -4.572 11.080 1.00 0.44 C ATOM 404 C SER A 14 0.654 -4.748 10.169 1.00 0.41 C ATOM 405 O SER A 14 1.251 -5.823 10.116 1.00 0.42 O ATOM 406 CB SER A 14 -0.165 -4.874 12.527 1.00 0.48 C ATOM 407 OG SER A 14 -0.200 -6.266 12.787 1.00 0.50 O ATOM 0 H SER A 14 -1.349 -6.242 10.097 1.00 0.45 H new ATOM 0 HA SER A 14 -0.896 -3.539 11.012 1.00 0.44 H new ATOM 0 HB2 SER A 14 0.836 -4.490 12.725 1.00 0.48 H new ATOM 0 HB3 SER A 14 -0.845 -4.358 13.205 1.00 0.48 H new ATOM 0 HG SER A 14 0.256 -6.745 12.064 1.00 0.50 H new ATOM 413 N VAL A 15 1.012 -3.686 9.453 1.00 0.38 N ATOM 414 CA VAL A 15 2.150 -3.731 8.540 1.00 0.35 C ATOM 415 C VAL A 15 2.954 -2.435 8.579 1.00 0.34 C ATOM 416 O VAL A 15 2.487 -1.387 8.137 1.00 0.32 O ATOM 417 CB VAL A 15 1.711 -3.990 7.083 1.00 0.32 C ATOM 418 CG1 VAL A 15 2.727 -4.865 6.366 1.00 0.32 C ATOM 419 CG2 VAL A 15 0.327 -4.621 7.029 1.00 0.34 C ATOM 0 H VAL A 15 0.532 -2.786 9.487 1.00 0.38 H new ATOM 0 HA VAL A 15 2.773 -4.558 8.880 1.00 0.35 H new ATOM 0 HB VAL A 15 1.660 -3.028 6.572 1.00 0.32 H new ATOM 0 HG11 VAL A 15 2.400 -5.036 5.340 1.00 0.32 H new ATOM 0 HG12 VAL A 15 3.696 -4.366 6.359 1.00 0.32 H new ATOM 0 HG13 VAL A 15 2.814 -5.820 6.884 1.00 0.32 H new ATOM 0 HG21 VAL A 15 0.045 -4.791 5.990 1.00 0.34 H new ATOM 0 HG22 VAL A 15 0.339 -5.572 7.562 1.00 0.34 H new ATOM 0 HG23 VAL A 15 -0.396 -3.952 7.496 1.00 0.34 H new ATOM 429 N ASN A 16 4.167 -2.523 9.108 1.00 0.35 N ATOM 430 CA ASN A 16 5.060 -1.373 9.194 1.00 0.34 C ATOM 431 C ASN A 16 6.189 -1.527 8.183 1.00 0.33 C ATOM 432 O ASN A 16 6.858 -2.562 8.153 1.00 0.34 O ATOM 433 CB ASN A 16 5.628 -1.253 10.605 1.00 0.38 C ATOM 434 CG ASN A 16 5.328 0.092 11.238 1.00 0.39 C ATOM 435 OD1 ASN A 16 5.770 1.163 10.590 1.00 0.41 O flip ATOM 436 ND2 ASN A 16 4.707 0.166 12.299 1.00 0.37 N flip ATOM 0 H ASN A 16 4.558 -3.385 9.487 1.00 0.35 H new ATOM 0 HA ASN A 16 4.499 -0.466 8.968 1.00 0.34 H new ATOM 0 HB2 ASN A 16 5.214 -2.045 11.229 1.00 0.38 H new ATOM 0 HB3 ASN A 16 6.707 -1.404 10.573 1.00 0.38 H new ATOM 0 HD21 ASN A 16 4.386 -0.684 12.762 1.00 0.37 H new ATOM 0 HD22 ASN A 16 4.514 1.077 12.714 1.00 0.37 H new ATOM 443 N VAL A 17 6.403 -0.511 7.355 1.00 0.30 N ATOM 444 CA VAL A 17 7.440 -0.593 6.331 1.00 0.29 C ATOM 445 C VAL A 17 7.858 0.784 5.809 1.00 0.27 C ATOM 446 O VAL A 17 7.076 1.732 5.830 1.00 0.26 O ATOM 447 CB VAL A 17 6.936 -1.459 5.156 1.00 0.27 C ATOM 448 CG1 VAL A 17 5.496 -1.100 4.819 1.00 0.25 C ATOM 449 CG2 VAL A 17 7.832 -1.320 3.931 1.00 0.27 C ATOM 0 H VAL A 17 5.882 0.366 7.370 1.00 0.30 H new ATOM 0 HA VAL A 17 8.318 -1.047 6.791 1.00 0.29 H new ATOM 0 HB VAL A 17 6.974 -2.503 5.467 1.00 0.27 H new ATOM 0 HG11 VAL A 17 5.152 -1.717 3.989 1.00 0.25 H new ATOM 0 HG12 VAL A 17 4.864 -1.277 5.689 1.00 0.25 H new ATOM 0 HG13 VAL A 17 5.440 -0.049 4.537 1.00 0.25 H new ATOM 0 HG21 VAL A 17 7.446 -1.944 3.125 1.00 0.27 H new ATOM 0 HG22 VAL A 17 7.848 -0.279 3.608 1.00 0.27 H new ATOM 0 HG23 VAL A 17 8.844 -1.638 4.182 1.00 0.27 H new ATOM 459 N THR A 18 9.103 0.874 5.348 1.00 0.28 N ATOM 460 CA THR A 18 9.643 2.108 4.786 1.00 0.27 C ATOM 461 C THR A 18 9.964 1.899 3.312 1.00 0.26 C ATOM 462 O THR A 18 10.682 0.964 2.958 1.00 0.28 O ATOM 463 CB THR A 18 10.919 2.565 5.519 1.00 0.30 C ATOM 464 OG1 THR A 18 11.006 1.928 6.799 1.00 0.32 O ATOM 465 CG2 THR A 18 10.933 4.077 5.697 1.00 0.30 C ATOM 0 H THR A 18 9.763 0.097 5.354 1.00 0.28 H new ATOM 0 HA THR A 18 8.887 2.884 4.907 1.00 0.27 H new ATOM 0 HB THR A 18 11.779 2.280 4.913 1.00 0.30 H new ATOM 0 HG1 THR A 18 11.821 2.223 7.257 1.00 0.32 H new ATOM 0 HG21 THR A 18 11.844 4.374 6.217 1.00 0.30 H new ATOM 0 HG22 THR A 18 10.900 4.559 4.720 1.00 0.30 H new ATOM 0 HG23 THR A 18 10.065 4.383 6.282 1.00 0.30 H new ATOM 473 N VAL A 19 9.434 2.764 2.450 1.00 0.25 N ATOM 474 CA VAL A 19 9.657 2.634 1.014 1.00 0.25 C ATOM 475 C VAL A 19 9.684 3.993 0.324 1.00 0.25 C ATOM 476 O VAL A 19 9.582 5.036 0.971 1.00 0.25 O ATOM 477 CB VAL A 19 8.562 1.770 0.353 1.00 0.23 C ATOM 478 CG1 VAL A 19 8.592 0.346 0.886 1.00 0.24 C ATOM 479 CG2 VAL A 19 7.190 2.395 0.567 1.00 0.20 C ATOM 0 H VAL A 19 8.851 3.557 2.719 1.00 0.25 H new ATOM 0 HA VAL A 19 10.627 2.151 0.895 1.00 0.25 H new ATOM 0 HB VAL A 19 8.762 1.731 -0.718 1.00 0.23 H new ATOM 0 HG11 VAL A 19 7.810 -0.240 0.403 1.00 0.24 H new ATOM 0 HG12 VAL A 19 9.563 -0.101 0.675 1.00 0.24 H new ATOM 0 HG13 VAL A 19 8.424 0.357 1.963 1.00 0.24 H new ATOM 0 HG21 VAL A 19 6.429 1.773 0.095 1.00 0.20 H new ATOM 0 HG22 VAL A 19 6.986 2.469 1.635 1.00 0.20 H new ATOM 0 HG23 VAL A 19 7.171 3.391 0.124 1.00 0.20 H new ATOM 489 N ARG A 20 9.822 3.963 -0.995 1.00 0.26 N ATOM 490 CA ARG A 20 9.850 5.178 -1.801 1.00 0.27 C ATOM 491 C ARG A 20 8.700 5.172 -2.797 1.00 0.26 C ATOM 492 O ARG A 20 8.251 4.109 -3.230 1.00 0.25 O ATOM 493 CB ARG A 20 11.183 5.293 -2.542 1.00 0.30 C ATOM 494 CG ARG A 20 11.511 6.707 -2.987 1.00 0.32 C ATOM 495 CD ARG A 20 12.556 7.344 -2.085 1.00 0.34 C ATOM 496 NE ARG A 20 12.961 8.664 -2.561 1.00 0.36 N ATOM 497 CZ ARG A 20 14.176 8.945 -3.022 1.00 0.39 C ATOM 498 NH1 ARG A 20 15.109 8.002 -3.067 1.00 0.40 N ATOM 499 NH2 ARG A 20 14.460 10.171 -3.438 1.00 0.42 N ATOM 0 H ARG A 20 9.917 3.102 -1.534 1.00 0.26 H new ATOM 0 HA ARG A 20 9.741 6.037 -1.139 1.00 0.27 H new ATOM 0 HB2 ARG A 20 11.981 4.930 -1.895 1.00 0.30 H new ATOM 0 HB3 ARG A 20 11.161 4.642 -3.416 1.00 0.30 H new ATOM 0 HG2 ARG A 20 11.876 6.691 -4.014 1.00 0.32 H new ATOM 0 HG3 ARG A 20 10.604 7.312 -2.980 1.00 0.32 H new ATOM 0 HD2 ARG A 20 12.158 7.430 -1.074 1.00 0.34 H new ATOM 0 HD3 ARG A 20 13.430 6.695 -2.029 1.00 0.34 H new ATOM 0 HE ARG A 20 12.271 9.415 -2.538 1.00 0.36 H new ATOM 0 HH11 ARG A 20 14.895 7.057 -2.747 1.00 0.40 H new ATOM 0 HH12 ARG A 20 16.040 8.222 -3.421 1.00 0.40 H new ATOM 0 HH21 ARG A 20 13.746 10.899 -3.404 1.00 0.42 H new ATOM 0 HH22 ARG A 20 15.392 10.386 -3.792 1.00 0.42 H new ATOM 513 N VAL A 21 8.223 6.356 -3.160 1.00 0.26 N ATOM 514 CA VAL A 21 7.119 6.470 -4.103 1.00 0.26 C ATOM 515 C VAL A 21 7.565 6.133 -5.522 1.00 0.28 C ATOM 516 O VAL A 21 8.534 6.689 -6.033 1.00 0.31 O ATOM 517 CB VAL A 21 6.503 7.882 -4.088 1.00 0.27 C ATOM 518 CG1 VAL A 21 5.239 7.922 -4.933 1.00 0.27 C ATOM 519 CG2 VAL A 21 6.214 8.322 -2.662 1.00 0.27 C ATOM 0 H VAL A 21 8.582 7.247 -2.817 1.00 0.26 H new ATOM 0 HA VAL A 21 6.363 5.752 -3.785 1.00 0.26 H new ATOM 0 HB VAL A 21 7.223 8.578 -4.520 1.00 0.27 H new ATOM 0 HG11 VAL A 21 4.818 8.927 -4.910 1.00 0.27 H new ATOM 0 HG12 VAL A 21 5.480 7.653 -5.961 1.00 0.27 H new ATOM 0 HG13 VAL A 21 4.512 7.215 -4.534 1.00 0.27 H new ATOM 0 HG21 VAL A 21 5.779 9.322 -2.671 1.00 0.27 H new ATOM 0 HG22 VAL A 21 5.513 7.626 -2.201 1.00 0.27 H new ATOM 0 HG23 VAL A 21 7.142 8.335 -2.090 1.00 0.27 H new ATOM 529 N LEU A 22 6.853 5.206 -6.148 1.00 0.27 N ATOM 530 CA LEU A 22 7.156 4.796 -7.510 1.00 0.30 C ATOM 531 C LEU A 22 6.131 5.378 -8.476 1.00 0.31 C ATOM 532 O LEU A 22 6.395 5.526 -9.670 1.00 0.34 O ATOM 533 CB LEU A 22 7.173 3.270 -7.607 1.00 0.30 C ATOM 534 CG LEU A 22 7.988 2.555 -6.525 1.00 0.29 C ATOM 535 CD1 LEU A 22 8.052 1.061 -6.805 1.00 0.30 C ATOM 536 CD2 LEU A 22 9.391 3.138 -6.431 1.00 0.32 C ATOM 0 H LEU A 22 6.058 4.722 -5.731 1.00 0.27 H new ATOM 0 HA LEU A 22 8.142 5.175 -7.781 1.00 0.30 H new ATOM 0 HB2 LEU A 22 6.146 2.908 -7.564 1.00 0.30 H new ATOM 0 HB3 LEU A 22 7.569 2.989 -8.583 1.00 0.30 H new ATOM 0 HG LEU A 22 7.489 2.708 -5.568 1.00 0.29 H new ATOM 0 HD11 LEU A 22 8.635 0.569 -6.026 1.00 0.30 H new ATOM 0 HD12 LEU A 22 7.043 0.650 -6.817 1.00 0.30 H new ATOM 0 HD13 LEU A 22 8.524 0.892 -7.773 1.00 0.30 H new ATOM 0 HD21 LEU A 22 9.951 2.615 -5.656 1.00 0.32 H new ATOM 0 HD22 LEU A 22 9.899 3.020 -7.388 1.00 0.32 H new ATOM 0 HD23 LEU A 22 9.329 4.197 -6.181 1.00 0.32 H new ATOM 548 N GLU A 23 4.959 5.707 -7.941 1.00 0.29 N ATOM 549 CA GLU A 23 3.876 6.275 -8.733 1.00 0.30 C ATOM 550 C GLU A 23 2.834 6.915 -7.825 1.00 0.28 C ATOM 551 O GLU A 23 2.846 6.706 -6.610 1.00 0.25 O ATOM 552 CB GLU A 23 3.224 5.197 -9.602 1.00 0.29 C ATOM 553 CG GLU A 23 2.577 5.743 -10.865 1.00 0.32 C ATOM 554 CD GLU A 23 3.375 5.425 -12.113 1.00 0.36 C ATOM 555 OE1 GLU A 23 4.470 6.001 -12.281 1.00 0.38 O ATOM 556 OE2 GLU A 23 2.906 4.599 -12.924 1.00 0.36 O ATOM 0 H GLU A 23 4.735 5.588 -6.953 1.00 0.29 H new ATOM 0 HA GLU A 23 4.294 7.043 -9.384 1.00 0.30 H new ATOM 0 HB2 GLU A 23 3.978 4.460 -9.879 1.00 0.29 H new ATOM 0 HB3 GLU A 23 2.469 4.675 -9.014 1.00 0.29 H new ATOM 0 HG2 GLU A 23 1.574 5.327 -10.964 1.00 0.32 H new ATOM 0 HG3 GLU A 23 2.467 6.824 -10.774 1.00 0.32 H new ATOM 563 N ALA A 24 1.933 7.694 -8.411 1.00 0.30 N ATOM 564 CA ALA A 24 0.892 8.362 -7.643 1.00 0.29 C ATOM 565 C ALA A 24 -0.240 8.845 -8.543 1.00 0.32 C ATOM 566 O ALA A 24 -0.007 9.547 -9.527 1.00 0.35 O ATOM 567 CB ALA A 24 1.482 9.528 -6.865 1.00 0.31 C ATOM 0 H ALA A 24 1.903 7.878 -9.414 1.00 0.30 H new ATOM 0 HA ALA A 24 0.475 7.639 -6.942 1.00 0.29 H new ATOM 0 HB1 ALA A 24 0.695 10.020 -6.294 1.00 0.31 H new ATOM 0 HB2 ALA A 24 2.248 9.160 -6.183 1.00 0.31 H new ATOM 0 HB3 ALA A 24 1.927 10.241 -7.559 1.00 0.31 H new ATOM 573 N SER A 25 -1.467 8.464 -8.198 1.00 0.30 N ATOM 574 CA SER A 25 -2.637 8.864 -8.971 1.00 0.33 C ATOM 575 C SER A 25 -3.523 9.801 -8.154 1.00 0.35 C ATOM 576 O SER A 25 -3.529 9.748 -6.925 1.00 0.33 O ATOM 577 CB SER A 25 -3.435 7.635 -9.408 1.00 0.31 C ATOM 578 OG SER A 25 -3.905 7.780 -10.738 1.00 0.33 O ATOM 0 H SER A 25 -1.676 7.879 -7.389 1.00 0.30 H new ATOM 0 HA SER A 25 -2.295 9.394 -9.860 1.00 0.33 H new ATOM 0 HB2 SER A 25 -2.809 6.746 -9.335 1.00 0.31 H new ATOM 0 HB3 SER A 25 -4.279 7.487 -8.734 1.00 0.31 H new ATOM 0 HG SER A 25 -4.411 6.981 -10.995 1.00 0.33 H new ATOM 584 N GLU A 26 -4.268 10.658 -8.847 1.00 0.38 N ATOM 585 CA GLU A 26 -5.154 11.608 -8.184 1.00 0.41 C ATOM 586 C GLU A 26 -6.285 10.885 -7.459 1.00 0.39 C ATOM 587 O GLU A 26 -6.597 9.734 -7.766 1.00 0.37 O ATOM 588 CB GLU A 26 -5.733 12.592 -9.202 1.00 0.44 C ATOM 589 CG GLU A 26 -4.691 13.192 -10.132 1.00 0.46 C ATOM 590 CD GLU A 26 -3.777 14.176 -9.427 1.00 0.47 C ATOM 591 OE1 GLU A 26 -4.295 15.153 -8.845 1.00 0.50 O ATOM 592 OE2 GLU A 26 -2.546 13.971 -9.456 1.00 0.46 O ATOM 0 H GLU A 26 -4.275 10.714 -9.865 1.00 0.38 H new ATOM 0 HA GLU A 26 -4.569 12.159 -7.447 1.00 0.41 H new ATOM 0 HB2 GLU A 26 -6.489 12.081 -9.799 1.00 0.44 H new ATOM 0 HB3 GLU A 26 -6.238 13.397 -8.669 1.00 0.44 H new ATOM 0 HG2 GLU A 26 -4.092 12.391 -10.565 1.00 0.46 H new ATOM 0 HG3 GLU A 26 -5.193 13.696 -10.958 1.00 0.46 H new ATOM 599 N ALA A 27 -6.791 11.522 -6.423 1.00 0.41 N ATOM 600 CA ALA A 27 -7.811 10.928 -5.582 1.00 0.41 C ATOM 601 C ALA A 27 -9.203 10.958 -6.226 1.00 0.44 C ATOM 602 O ALA A 27 -9.708 12.012 -6.615 1.00 0.48 O ATOM 603 CB ALA A 27 -7.737 11.602 -4.224 1.00 0.43 C ATOM 0 H ALA A 27 -6.509 12.461 -6.141 1.00 0.41 H new ATOM 0 HA ALA A 27 -7.622 9.862 -5.453 1.00 0.41 H new ATOM 0 HB1 ALA A 27 -8.494 11.177 -3.565 1.00 0.43 H new ATOM 0 HB2 ALA A 27 -6.749 11.443 -3.792 1.00 0.43 H new ATOM 0 HB3 ALA A 27 -7.915 12.671 -4.338 1.00 0.43 H new ATOM 609 N ARG A 28 -9.811 9.765 -6.311 1.00 0.41 N ATOM 610 CA ARG A 28 -11.117 9.566 -6.949 1.00 0.43 C ATOM 611 C ARG A 28 -12.090 8.830 -6.012 1.00 0.43 C ATOM 612 O ARG A 28 -11.678 8.165 -5.067 1.00 0.44 O ATOM 613 CB ARG A 28 -10.909 8.769 -8.258 1.00 0.42 C ATOM 614 CG ARG A 28 -12.155 8.076 -8.801 1.00 0.56 C ATOM 615 CD ARG A 28 -11.844 6.684 -9.335 1.00 0.65 C ATOM 616 NE ARG A 28 -13.054 5.872 -9.489 1.00 0.86 N ATOM 617 CZ ARG A 28 -13.110 4.566 -9.231 1.00 1.02 C ATOM 618 NH1 ARG A 28 -12.028 3.915 -8.829 1.00 1.03 N ATOM 619 NH2 ARG A 28 -14.254 3.907 -9.377 1.00 1.24 N ATOM 0 H ARG A 28 -9.406 8.907 -5.936 1.00 0.41 H new ATOM 0 HA ARG A 28 -11.560 10.536 -7.172 1.00 0.43 H new ATOM 0 HB2 ARG A 28 -10.528 9.448 -9.021 1.00 0.42 H new ATOM 0 HB3 ARG A 28 -10.139 8.016 -8.088 1.00 0.42 H new ATOM 0 HG2 ARG A 28 -12.903 8.003 -8.011 1.00 0.56 H new ATOM 0 HG3 ARG A 28 -12.589 8.681 -9.597 1.00 0.56 H new ATOM 0 HD2 ARG A 28 -11.340 6.769 -10.298 1.00 0.65 H new ATOM 0 HD3 ARG A 28 -11.154 6.181 -8.657 1.00 0.65 H new ATOM 0 HE ARG A 28 -13.904 6.334 -9.813 1.00 0.86 H new ATOM 0 HH11 ARG A 28 -11.146 4.414 -8.715 1.00 1.03 H new ATOM 0 HH12 ARG A 28 -12.078 2.915 -8.633 1.00 1.03 H new ATOM 0 HH21 ARG A 28 -15.091 4.401 -9.687 1.00 1.24 H new ATOM 0 HH22 ARG A 28 -14.295 2.907 -9.179 1.00 1.24 H new ATOM 633 N GLN A 29 -13.384 8.953 -6.294 1.00 0.45 N ATOM 634 CA GLN A 29 -14.426 8.318 -5.497 1.00 0.46 C ATOM 635 C GLN A 29 -14.753 6.915 -6.000 1.00 0.44 C ATOM 636 O GLN A 29 -14.802 6.673 -7.205 1.00 0.43 O ATOM 637 CB GLN A 29 -15.700 9.159 -5.545 1.00 0.51 C ATOM 638 CG GLN A 29 -15.609 10.452 -4.766 1.00 0.54 C ATOM 639 CD GLN A 29 -16.910 11.236 -4.778 1.00 0.61 C ATOM 640 OE1 GLN A 29 -17.128 12.083 -5.642 1.00 0.74 O ATOM 641 NE2 GLN A 29 -17.781 10.953 -3.816 1.00 0.84 N ATOM 0 H GLN A 29 -13.738 9.496 -7.082 1.00 0.45 H new ATOM 0 HA GLN A 29 -14.051 8.243 -4.476 1.00 0.46 H new ATOM 0 HB2 GLN A 29 -15.934 9.388 -6.585 1.00 0.51 H new ATOM 0 HB3 GLN A 29 -16.529 8.568 -5.155 1.00 0.51 H new ATOM 0 HG2 GLN A 29 -15.332 10.232 -3.735 1.00 0.54 H new ATOM 0 HG3 GLN A 29 -14.814 11.069 -5.185 1.00 0.54 H new ATOM 0 HE21 GLN A 29 -17.558 10.242 -3.119 1.00 0.84 H new ATOM 0 HE22 GLN A 29 -18.673 11.447 -3.774 1.00 0.84 H new ATOM 650 N ILE A 30 -14.987 5.993 -5.067 1.00 0.43 N ATOM 651 CA ILE A 30 -15.345 4.626 -5.411 1.00 0.40 C ATOM 652 C ILE A 30 -16.674 4.262 -4.741 1.00 0.42 C ATOM 653 O ILE A 30 -17.088 4.908 -3.780 1.00 0.45 O ATOM 654 CB ILE A 30 -14.261 3.612 -4.973 1.00 0.38 C ATOM 655 CG1 ILE A 30 -14.306 3.424 -3.461 1.00 0.39 C ATOM 656 CG2 ILE A 30 -12.872 4.063 -5.414 1.00 0.35 C ATOM 657 CD1 ILE A 30 -13.643 2.147 -2.991 1.00 0.39 C ATOM 0 H ILE A 30 -14.934 6.173 -4.064 1.00 0.43 H new ATOM 0 HA ILE A 30 -15.435 4.573 -6.496 1.00 0.40 H new ATOM 0 HB ILE A 30 -14.469 2.658 -5.457 1.00 0.38 H new ATOM 0 HG12 ILE A 30 -13.819 4.274 -2.983 1.00 0.39 H new ATOM 0 HG13 ILE A 30 -15.346 3.426 -3.133 1.00 0.39 H new ATOM 0 HG21 ILE A 30 -12.132 3.330 -5.092 1.00 0.35 H new ATOM 0 HG22 ILE A 30 -12.846 4.151 -6.500 1.00 0.35 H new ATOM 0 HG23 ILE A 30 -12.644 5.030 -4.966 1.00 0.35 H new ATOM 0 HD11 ILE A 30 -13.713 2.079 -1.905 1.00 0.39 H new ATOM 0 HD12 ILE A 30 -14.144 1.290 -3.441 1.00 0.39 H new ATOM 0 HD13 ILE A 30 -12.594 2.151 -3.288 1.00 0.39 H new ATOM 669 N GLN A 31 -17.331 3.228 -5.244 1.00 0.41 N ATOM 670 CA GLN A 31 -18.613 2.788 -4.695 1.00 0.44 C ATOM 671 C GLN A 31 -18.481 1.420 -4.030 1.00 0.43 C ATOM 672 O GLN A 31 -18.206 0.420 -4.694 1.00 0.42 O ATOM 673 CB GLN A 31 -19.675 2.731 -5.798 1.00 0.44 C ATOM 674 CG GLN A 31 -20.164 4.096 -6.255 1.00 0.47 C ATOM 675 CD GLN A 31 -21.160 4.005 -7.396 1.00 0.50 C ATOM 676 OE1 GLN A 31 -22.366 3.902 -7.175 1.00 0.53 O ATOM 677 NE2 GLN A 31 -20.658 4.044 -8.625 1.00 0.50 N ATOM 0 H GLN A 31 -17.000 2.674 -6.034 1.00 0.41 H new ATOM 0 HA GLN A 31 -18.922 3.511 -3.940 1.00 0.44 H new ATOM 0 HB2 GLN A 31 -19.265 2.197 -6.656 1.00 0.44 H new ATOM 0 HB3 GLN A 31 -20.526 2.153 -5.439 1.00 0.44 H new ATOM 0 HG2 GLN A 31 -20.626 4.613 -5.414 1.00 0.47 H new ATOM 0 HG3 GLN A 31 -19.311 4.697 -6.569 1.00 0.47 H new ATOM 0 HE21 GLN A 31 -19.651 4.130 -8.762 1.00 0.50 H new ATOM 0 HE22 GLN A 31 -21.280 3.988 -9.432 1.00 0.50 H new ATOM 686 N THR A 32 -18.678 1.386 -2.714 1.00 0.45 N ATOM 687 CA THR A 32 -18.586 0.140 -1.954 1.00 0.46 C ATOM 688 C THR A 32 -19.945 -0.291 -1.427 1.00 0.50 C ATOM 689 O THR A 32 -20.971 0.310 -1.749 1.00 0.53 O ATOM 690 CB THR A 32 -17.611 0.261 -0.771 1.00 0.45 C ATOM 691 OG1 THR A 32 -18.104 1.207 0.181 1.00 0.48 O ATOM 692 CG2 THR A 32 -16.236 0.680 -1.260 1.00 0.42 C ATOM 0 H THR A 32 -18.902 2.206 -2.151 1.00 0.45 H new ATOM 0 HA THR A 32 -18.210 -0.613 -2.647 1.00 0.46 H new ATOM 0 HB THR A 32 -17.528 -0.713 -0.289 1.00 0.45 H new ATOM 0 HG1 THR A 32 -18.699 1.843 -0.268 1.00 0.48 H new ATOM 0 HG21 THR A 32 -15.557 0.761 -0.411 1.00 0.42 H new ATOM 0 HG22 THR A 32 -15.856 -0.065 -1.959 1.00 0.42 H new ATOM 0 HG23 THR A 32 -16.307 1.645 -1.762 1.00 0.42 H new ATOM 700 N LYS A 33 -19.939 -1.336 -0.608 1.00 0.50 N ATOM 701 CA LYS A 33 -21.164 -1.858 -0.023 1.00 0.54 C ATOM 702 C LYS A 33 -21.563 -1.049 1.209 1.00 0.57 C ATOM 703 O LYS A 33 -22.650 -1.231 1.760 1.00 0.61 O ATOM 704 CB LYS A 33 -20.982 -3.327 0.359 1.00 0.55 C ATOM 705 CG LYS A 33 -19.902 -3.548 1.407 1.00 0.55 C ATOM 706 CD LYS A 33 -19.941 -4.960 1.965 1.00 0.55 C ATOM 707 CE LYS A 33 -19.027 -5.101 3.171 1.00 0.60 C ATOM 708 NZ LYS A 33 -19.087 -6.468 3.759 1.00 0.56 N ATOM 0 H LYS A 33 -19.095 -1.839 -0.334 1.00 0.50 H new ATOM 0 HA LYS A 33 -21.958 -1.776 -0.765 1.00 0.54 H new ATOM 0 HB2 LYS A 33 -21.928 -3.717 0.735 1.00 0.55 H new ATOM 0 HB3 LYS A 33 -20.733 -3.899 -0.535 1.00 0.55 H new ATOM 0 HG2 LYS A 33 -18.923 -3.358 0.967 1.00 0.55 H new ATOM 0 HG3 LYS A 33 -20.031 -2.832 2.219 1.00 0.55 H new ATOM 0 HD2 LYS A 33 -20.963 -5.214 2.248 1.00 0.55 H new ATOM 0 HD3 LYS A 33 -19.640 -5.667 1.192 1.00 0.55 H new ATOM 0 HE2 LYS A 33 -18.002 -4.877 2.877 1.00 0.60 H new ATOM 0 HE3 LYS A 33 -19.309 -4.368 3.927 1.00 0.60 H new ATOM 0 HZ1 LYS A 33 -18.449 -6.522 4.579 1.00 0.56 H new ATOM 0 HZ2 LYS A 33 -20.060 -6.673 4.063 1.00 0.56 H new ATOM 0 HZ3 LYS A 33 -18.794 -7.166 3.046 1.00 0.56 H new ATOM 722 N ASN A 34 -20.674 -0.155 1.633 1.00 0.55 N ATOM 723 CA ASN A 34 -20.928 0.679 2.804 1.00 0.58 C ATOM 724 C ASN A 34 -21.164 2.129 2.399 1.00 0.60 C ATOM 725 O ASN A 34 -21.277 3.012 3.252 1.00 0.63 O ATOM 726 CB ASN A 34 -19.755 0.597 3.786 1.00 0.56 C ATOM 727 CG ASN A 34 -19.581 -0.791 4.373 1.00 0.57 C ATOM 728 OD1 ASN A 34 -18.850 -1.620 3.831 1.00 0.54 O ATOM 729 ND2 ASN A 34 -20.253 -1.050 5.488 1.00 0.64 N ATOM 0 H ASN A 34 -19.773 0.010 1.184 1.00 0.55 H new ATOM 0 HA ASN A 34 -21.827 0.305 3.293 1.00 0.58 H new ATOM 0 HB2 ASN A 34 -18.837 0.889 3.275 1.00 0.56 H new ATOM 0 HB3 ASN A 34 -19.912 1.312 4.594 1.00 0.56 H new ATOM 0 HD21 ASN A 34 -20.175 -1.966 5.930 1.00 0.64 H new ATOM 0 HD22 ASN A 34 -20.848 -0.333 5.903 1.00 0.64 H new ATOM 736 N GLY A 35 -21.239 2.368 1.096 1.00 0.59 N ATOM 737 CA GLY A 35 -21.463 3.712 0.600 1.00 0.61 C ATOM 738 C GLY A 35 -20.349 4.185 -0.307 1.00 0.57 C ATOM 739 O GLY A 35 -19.690 3.377 -0.958 1.00 0.53 O ATOM 0 H GLY A 35 -21.149 1.654 0.373 1.00 0.59 H new ATOM 0 HA2 GLY A 35 -22.408 3.743 0.057 1.00 0.61 H new ATOM 0 HA3 GLY A 35 -21.557 4.397 1.443 1.00 0.61 H new ATOM 743 N VAL A 36 -20.131 5.493 -0.357 1.00 0.59 N ATOM 744 CA VAL A 36 -19.082 6.042 -1.205 1.00 0.56 C ATOM 745 C VAL A 36 -17.938 6.642 -0.385 1.00 0.55 C ATOM 746 O VAL A 36 -18.148 7.313 0.628 1.00 0.59 O ATOM 747 CB VAL A 36 -19.643 7.074 -2.212 1.00 0.57 C ATOM 748 CG1 VAL A 36 -20.347 8.224 -1.504 1.00 0.61 C ATOM 749 CG2 VAL A 36 -18.546 7.594 -3.124 1.00 0.56 C ATOM 0 H VAL A 36 -20.660 6.186 0.173 1.00 0.59 H new ATOM 0 HA VAL A 36 -18.672 5.209 -1.776 1.00 0.56 H new ATOM 0 HB VAL A 36 -20.384 6.562 -2.825 1.00 0.57 H new ATOM 0 HG11 VAL A 36 -20.728 8.928 -2.244 1.00 0.61 H new ATOM 0 HG12 VAL A 36 -21.176 7.835 -0.913 1.00 0.61 H new ATOM 0 HG13 VAL A 36 -19.642 8.733 -0.847 1.00 0.61 H new ATOM 0 HG21 VAL A 36 -18.966 8.318 -3.822 1.00 0.56 H new ATOM 0 HG22 VAL A 36 -17.772 8.074 -2.525 1.00 0.56 H new ATOM 0 HG23 VAL A 36 -18.111 6.764 -3.680 1.00 0.56 H new ATOM 759 N ARG A 37 -16.724 6.357 -0.844 1.00 0.52 N ATOM 760 CA ARG A 37 -15.495 6.811 -0.212 1.00 0.51 C ATOM 761 C ARG A 37 -14.539 7.365 -1.250 1.00 0.49 C ATOM 762 O ARG A 37 -14.749 7.200 -2.449 1.00 0.47 O ATOM 763 CB ARG A 37 -14.878 5.722 0.601 1.00 0.49 C ATOM 764 CG ARG A 37 -14.916 4.342 -0.033 1.00 0.47 C ATOM 765 CD ARG A 37 -16.192 3.623 0.350 1.00 0.52 C ATOM 766 NE ARG A 37 -16.090 2.979 1.660 1.00 0.49 N ATOM 767 CZ ARG A 37 -16.988 3.125 2.636 1.00 0.53 C ATOM 768 NH1 ARG A 37 -18.079 3.853 2.436 1.00 0.65 N ATOM 769 NH2 ARG A 37 -16.800 2.534 3.810 1.00 0.56 N ATOM 0 H ARG A 37 -16.566 5.794 -1.680 1.00 0.52 H new ATOM 0 HA ARG A 37 -15.734 7.622 0.477 1.00 0.51 H new ATOM 0 HB2 ARG A 37 -13.839 5.984 0.801 1.00 0.49 H new ATOM 0 HB3 ARG A 37 -15.387 5.676 1.564 1.00 0.49 H new ATOM 0 HG2 ARG A 37 -14.852 4.431 -1.117 1.00 0.47 H new ATOM 0 HG3 ARG A 37 -14.052 3.762 0.291 1.00 0.47 H new ATOM 0 HD2 ARG A 37 -17.019 4.333 0.359 1.00 0.52 H new ATOM 0 HD3 ARG A 37 -16.425 2.872 -0.405 1.00 0.52 H new ATOM 0 HE ARG A 37 -15.283 2.382 1.838 1.00 0.49 H new ATOM 0 HH11 ARG A 37 -18.233 4.303 1.534 1.00 0.65 H new ATOM 0 HH12 ARG A 37 -18.763 3.962 3.184 1.00 0.65 H new ATOM 0 HH21 ARG A 37 -15.967 1.966 3.968 1.00 0.56 H new ATOM 0 HH22 ARG A 37 -17.488 2.648 4.554 1.00 0.56 H new ATOM 783 N THR A 38 -13.491 8.020 -0.786 1.00 0.48 N ATOM 784 CA THR A 38 -12.542 8.658 -1.682 1.00 0.46 C ATOM 785 C THR A 38 -11.173 8.078 -1.504 1.00 0.42 C ATOM 786 O THR A 38 -10.505 8.333 -0.518 1.00 0.42 O ATOM 787 CB THR A 38 -12.466 10.166 -1.429 1.00 0.50 C ATOM 788 OG1 THR A 38 -12.625 10.438 -0.034 1.00 0.53 O ATOM 789 CG2 THR A 38 -13.523 10.915 -2.216 1.00 0.53 C ATOM 0 H THR A 38 -13.275 8.125 0.205 1.00 0.48 H new ATOM 0 HA THR A 38 -12.893 8.479 -2.698 1.00 0.46 H new ATOM 0 HB THR A 38 -11.486 10.509 -1.761 1.00 0.50 H new ATOM 0 HG1 THR A 38 -12.573 11.405 0.119 1.00 0.53 H new ATOM 0 HG21 THR A 38 -13.440 11.983 -2.012 1.00 0.53 H new ATOM 0 HG22 THR A 38 -13.378 10.736 -3.281 1.00 0.53 H new ATOM 0 HG23 THR A 38 -14.512 10.565 -1.921 1.00 0.53 H new ATOM 797 N ILE A 39 -10.742 7.314 -2.473 1.00 0.39 N ATOM 798 CA ILE A 39 -9.457 6.677 -2.386 1.00 0.35 C ATOM 799 C ILE A 39 -8.640 6.879 -3.638 1.00 0.33 C ATOM 800 O ILE A 39 -9.095 7.465 -4.618 1.00 0.36 O ATOM 801 CB ILE A 39 -9.632 5.186 -2.162 1.00 0.33 C ATOM 802 CG1 ILE A 39 -10.506 4.608 -3.250 1.00 0.33 C ATOM 803 CG2 ILE A 39 -10.261 4.944 -0.819 1.00 0.35 C ATOM 804 CD1 ILE A 39 -10.058 3.242 -3.682 1.00 0.29 C ATOM 0 H ILE A 39 -11.261 7.119 -3.329 1.00 0.39 H new ATOM 0 HA ILE A 39 -8.929 7.134 -1.549 1.00 0.35 H new ATOM 0 HB ILE A 39 -8.656 4.701 -2.191 1.00 0.33 H new ATOM 0 HG12 ILE A 39 -11.535 4.554 -2.895 1.00 0.33 H new ATOM 0 HG13 ILE A 39 -10.501 5.278 -4.110 1.00 0.33 H new ATOM 0 HG21 ILE A 39 -10.385 3.872 -0.663 1.00 0.35 H new ATOM 0 HG22 ILE A 39 -9.620 5.353 -0.038 1.00 0.35 H new ATOM 0 HG23 ILE A 39 -11.235 5.431 -0.781 1.00 0.35 H new ATOM 0 HD11 ILE A 39 -10.720 2.873 -4.465 1.00 0.29 H new ATOM 0 HD12 ILE A 39 -9.039 3.297 -4.065 1.00 0.29 H new ATOM 0 HD13 ILE A 39 -10.089 2.563 -2.830 1.00 0.29 H new ATOM 816 N SER A 40 -7.426 6.380 -3.590 1.00 0.29 N ATOM 817 CA SER A 40 -6.524 6.476 -4.713 1.00 0.28 C ATOM 818 C SER A 40 -5.513 5.358 -4.661 1.00 0.24 C ATOM 819 O SER A 40 -5.386 4.667 -3.649 1.00 0.22 O ATOM 820 CB SER A 40 -5.804 7.813 -4.713 1.00 0.30 C ATOM 821 OG SER A 40 -5.174 8.031 -5.954 1.00 0.30 O ATOM 0 H SER A 40 -7.039 5.900 -2.778 1.00 0.29 H new ATOM 0 HA SER A 40 -7.110 6.394 -5.629 1.00 0.28 H new ATOM 0 HB2 SER A 40 -6.514 8.616 -4.512 1.00 0.30 H new ATOM 0 HB3 SER A 40 -5.064 7.835 -3.913 1.00 0.30 H new ATOM 0 HG SER A 40 -4.510 8.746 -5.863 1.00 0.30 H new ATOM 827 N GLU A 41 -4.789 5.187 -5.748 1.00 0.23 N ATOM 828 CA GLU A 41 -3.803 4.152 -5.823 1.00 0.20 C ATOM 829 C GLU A 41 -2.443 4.734 -6.194 1.00 0.20 C ATOM 830 O GLU A 41 -2.337 5.580 -7.082 1.00 0.24 O ATOM 831 CB GLU A 41 -4.270 3.122 -6.839 1.00 0.21 C ATOM 832 CG GLU A 41 -3.782 1.709 -6.566 1.00 0.21 C ATOM 833 CD GLU A 41 -2.702 1.255 -7.524 1.00 0.35 C ATOM 834 OE1 GLU A 41 -2.941 1.280 -8.749 1.00 0.48 O ATOM 835 OE2 GLU A 41 -1.617 0.867 -7.046 1.00 0.53 O ATOM 0 H GLU A 41 -4.872 5.758 -6.589 1.00 0.23 H new ATOM 0 HA GLU A 41 -3.685 3.670 -4.853 1.00 0.20 H new ATOM 0 HB2 GLU A 41 -5.360 3.119 -6.862 1.00 0.21 H new ATOM 0 HB3 GLU A 41 -3.931 3.426 -7.829 1.00 0.21 H new ATOM 0 HG2 GLU A 41 -3.401 1.654 -5.546 1.00 0.21 H new ATOM 0 HG3 GLU A 41 -4.626 1.022 -6.628 1.00 0.21 H new ATOM 842 N ALA A 42 -1.412 4.282 -5.495 1.00 0.17 N ATOM 843 CA ALA A 42 -0.054 4.764 -5.717 1.00 0.18 C ATOM 844 C ALA A 42 0.953 3.636 -5.559 1.00 0.17 C ATOM 845 O ALA A 42 0.931 2.915 -4.569 1.00 0.15 O ATOM 846 CB ALA A 42 0.252 5.876 -4.733 1.00 0.20 C ATOM 0 H ALA A 42 -1.490 3.576 -4.763 1.00 0.17 H new ATOM 0 HA ALA A 42 0.022 5.145 -6.735 1.00 0.18 H new ATOM 0 HB1 ALA A 42 1.267 6.238 -4.897 1.00 0.20 H new ATOM 0 HB2 ALA A 42 -0.453 6.694 -4.878 1.00 0.20 H new ATOM 0 HB3 ALA A 42 0.162 5.496 -3.715 1.00 0.20 H new ATOM 852 N ILE A 43 1.829 3.483 -6.540 1.00 0.19 N ATOM 853 CA ILE A 43 2.845 2.438 -6.499 1.00 0.20 C ATOM 854 C ILE A 43 4.062 2.858 -5.656 1.00 0.21 C ATOM 855 O ILE A 43 4.549 3.971 -5.766 1.00 0.23 O ATOM 856 CB ILE A 43 3.303 2.058 -7.932 1.00 0.23 C ATOM 857 CG1 ILE A 43 2.093 1.724 -8.816 1.00 0.24 C ATOM 858 CG2 ILE A 43 4.273 0.884 -7.908 1.00 0.25 C ATOM 859 CD1 ILE A 43 1.160 0.691 -8.219 1.00 0.21 C ATOM 0 H ILE A 43 1.858 4.068 -7.375 1.00 0.19 H new ATOM 0 HA ILE A 43 2.390 1.567 -6.027 1.00 0.20 H new ATOM 0 HB ILE A 43 3.820 2.920 -8.353 1.00 0.23 H new ATOM 0 HG12 ILE A 43 1.532 2.639 -9.006 1.00 0.24 H new ATOM 0 HG13 ILE A 43 2.449 1.362 -9.780 1.00 0.24 H new ATOM 0 HG21 ILE A 43 4.576 0.641 -8.927 1.00 0.25 H new ATOM 0 HG22 ILE A 43 5.152 1.151 -7.322 1.00 0.25 H new ATOM 0 HG23 ILE A 43 3.786 0.019 -7.458 1.00 0.25 H new ATOM 0 HD11 ILE A 43 0.331 0.510 -8.904 1.00 0.21 H new ATOM 0 HD12 ILE A 43 1.704 -0.239 -8.055 1.00 0.21 H new ATOM 0 HD13 ILE A 43 0.772 1.057 -7.268 1.00 0.21 H new ATOM 871 N VAL A 44 4.469 1.966 -4.759 1.00 0.19 N ATOM 872 CA VAL A 44 5.637 2.135 -3.890 1.00 0.20 C ATOM 873 C VAL A 44 6.421 0.849 -3.853 1.00 0.22 C ATOM 874 O VAL A 44 5.941 -0.211 -4.252 1.00 0.23 O ATOM 875 CB VAL A 44 5.222 2.397 -2.416 1.00 0.21 C ATOM 876 CG1 VAL A 44 4.720 3.814 -2.236 1.00 0.27 C ATOM 877 CG2 VAL A 44 4.025 1.620 -2.170 1.00 0.16 C ATOM 0 H VAL A 44 3.985 1.081 -4.609 1.00 0.19 H new ATOM 0 HA VAL A 44 6.207 2.974 -4.289 1.00 0.20 H new ATOM 0 HB VAL A 44 6.080 2.175 -1.781 1.00 0.21 H new ATOM 0 HG11 VAL A 44 4.436 3.970 -1.195 1.00 0.27 H new ATOM 0 HG12 VAL A 44 5.508 4.516 -2.507 1.00 0.27 H new ATOM 0 HG13 VAL A 44 3.853 3.977 -2.877 1.00 0.27 H new ATOM 0 HG21 VAL A 44 3.696 1.774 -1.142 1.00 0.16 H new ATOM 0 HG22 VAL A 44 3.238 1.937 -2.854 1.00 0.16 H new ATOM 0 HG23 VAL A 44 4.239 0.563 -2.328 1.00 0.16 H new ATOM 887 N GLY A 45 7.611 0.965 -3.353 1.00 0.24 N ATOM 888 CA GLY A 45 8.434 -0.208 -3.114 1.00 0.26 C ATOM 889 C GLY A 45 9.831 0.136 -2.638 1.00 0.29 C ATOM 890 O GLY A 45 10.232 1.300 -2.651 1.00 0.29 O ATOM 0 H GLY A 45 8.045 1.852 -3.099 1.00 0.24 H new ATOM 0 HA2 GLY A 45 7.948 -0.841 -2.371 1.00 0.26 H new ATOM 0 HA3 GLY A 45 8.502 -0.791 -4.033 1.00 0.26 H new ATOM 894 N ASP A 46 10.574 -0.884 -2.219 1.00 0.31 N ATOM 895 CA ASP A 46 11.936 -0.696 -1.735 1.00 0.34 C ATOM 896 C ASP A 46 12.901 -1.623 -2.465 1.00 0.38 C ATOM 897 O ASP A 46 12.568 -2.179 -3.511 1.00 0.39 O ATOM 898 CB ASP A 46 12.007 -0.950 -0.226 1.00 0.33 C ATOM 899 CG ASP A 46 11.499 -2.327 0.159 1.00 0.34 C ATOM 900 OD1 ASP A 46 11.139 -3.106 -0.749 1.00 0.34 O ATOM 901 OD2 ASP A 46 11.458 -2.625 1.371 1.00 0.34 O ATOM 0 H ASP A 46 10.253 -1.852 -2.205 1.00 0.31 H new ATOM 0 HA ASP A 46 12.227 0.335 -1.934 1.00 0.34 H new ATOM 0 HB2 ASP A 46 13.039 -0.841 0.109 1.00 0.33 H new ATOM 0 HB3 ASP A 46 11.421 -0.192 0.294 1.00 0.33 H new ATOM 906 N GLU A 47 14.095 -1.791 -1.904 1.00 0.40 N ATOM 907 CA GLU A 47 15.107 -2.649 -2.507 1.00 0.44 C ATOM 908 C GLU A 47 14.798 -4.127 -2.272 1.00 0.45 C ATOM 909 O GLU A 47 15.561 -5.000 -2.682 1.00 0.49 O ATOM 910 CB GLU A 47 16.491 -2.315 -1.943 1.00 0.46 C ATOM 911 CG GLU A 47 16.522 -2.202 -0.427 1.00 0.45 C ATOM 912 CD GLU A 47 17.673 -2.968 0.192 1.00 0.48 C ATOM 913 OE1 GLU A 47 17.826 -4.167 -0.124 1.00 0.51 O ATOM 914 OE2 GLU A 47 18.423 -2.369 0.992 1.00 0.49 O ATOM 0 H GLU A 47 14.384 -1.344 -1.034 1.00 0.40 H new ATOM 0 HA GLU A 47 15.099 -2.465 -3.581 1.00 0.44 H new ATOM 0 HB2 GLU A 47 17.196 -3.085 -2.256 1.00 0.46 H new ATOM 0 HB3 GLU A 47 16.833 -1.375 -2.376 1.00 0.46 H new ATOM 0 HG2 GLU A 47 16.597 -1.151 -0.146 1.00 0.45 H new ATOM 0 HG3 GLU A 47 15.582 -2.574 -0.020 1.00 0.45 H new ATOM 921 N THR A 48 13.676 -4.402 -1.610 1.00 0.43 N ATOM 922 CA THR A 48 13.281 -5.777 -1.322 1.00 0.44 C ATOM 923 C THR A 48 12.119 -6.228 -2.201 1.00 0.43 C ATOM 924 O THR A 48 11.632 -7.351 -2.067 1.00 0.44 O ATOM 925 CB THR A 48 12.885 -5.938 0.155 1.00 0.43 C ATOM 926 OG1 THR A 48 11.531 -5.518 0.350 1.00 0.39 O ATOM 927 CG2 THR A 48 13.806 -5.121 1.046 1.00 0.43 C ATOM 0 H THR A 48 13.028 -3.694 -1.265 1.00 0.43 H new ATOM 0 HA THR A 48 14.147 -6.403 -1.538 1.00 0.44 H new ATOM 0 HB THR A 48 12.978 -6.991 0.423 1.00 0.43 H new ATOM 0 HG1 THR A 48 11.328 -4.776 -0.257 1.00 0.39 H new ATOM 0 HG21 THR A 48 13.511 -5.247 2.088 1.00 0.43 H new ATOM 0 HG22 THR A 48 14.833 -5.461 0.916 1.00 0.43 H new ATOM 0 HG23 THR A 48 13.735 -4.068 0.774 1.00 0.43 H new ATOM 935 N GLY A 49 11.678 -5.354 -3.100 1.00 0.41 N ATOM 936 CA GLY A 49 10.577 -5.698 -3.984 1.00 0.41 C ATOM 937 C GLY A 49 9.679 -4.518 -4.296 1.00 0.37 C ATOM 938 O GLY A 49 10.144 -3.380 -4.381 1.00 0.36 O ATOM 0 H GLY A 49 12.060 -4.418 -3.233 1.00 0.41 H new ATOM 0 HA2 GLY A 49 10.977 -6.099 -4.915 1.00 0.41 H new ATOM 0 HA3 GLY A 49 9.983 -6.489 -3.525 1.00 0.41 H new ATOM 942 N ARG A 50 8.402 -4.805 -4.498 1.00 0.35 N ATOM 943 CA ARG A 50 7.432 -3.796 -4.830 1.00 0.31 C ATOM 944 C ARG A 50 6.036 -4.270 -4.459 1.00 0.29 C ATOM 945 O ARG A 50 5.702 -5.443 -4.603 1.00 0.31 O ATOM 946 CB ARG A 50 7.489 -3.489 -6.318 1.00 0.33 C ATOM 947 CG ARG A 50 6.434 -2.502 -6.753 1.00 0.30 C ATOM 948 CD ARG A 50 6.010 -2.749 -8.187 1.00 0.32 C ATOM 949 NE ARG A 50 6.931 -2.153 -9.148 1.00 0.36 N ATOM 950 CZ ARG A 50 6.568 -1.724 -10.353 1.00 0.38 C ATOM 951 NH1 ARG A 50 5.300 -1.809 -10.739 1.00 0.38 N ATOM 952 NH2 ARG A 50 7.472 -1.206 -11.173 1.00 0.42 N ATOM 0 H ARG A 50 8.018 -5.748 -4.434 1.00 0.35 H new ATOM 0 HA ARG A 50 7.662 -2.891 -4.268 1.00 0.31 H new ATOM 0 HB2 ARG A 50 8.474 -3.093 -6.565 1.00 0.33 H new ATOM 0 HB3 ARG A 50 7.367 -4.415 -6.880 1.00 0.33 H new ATOM 0 HG2 ARG A 50 5.567 -2.579 -6.096 1.00 0.30 H new ATOM 0 HG3 ARG A 50 6.819 -1.487 -6.655 1.00 0.30 H new ATOM 0 HD2 ARG A 50 5.947 -3.823 -8.365 1.00 0.32 H new ATOM 0 HD3 ARG A 50 5.011 -2.341 -8.343 1.00 0.32 H new ATOM 0 HE ARG A 50 7.911 -2.060 -8.880 1.00 0.36 H new ATOM 0 HH11 ARG A 50 4.601 -2.204 -10.110 1.00 0.38 H new ATOM 0 HH12 ARG A 50 5.025 -1.479 -11.664 1.00 0.38 H new ATOM 0 HH21 ARG A 50 8.446 -1.137 -10.880 1.00 0.42 H new ATOM 0 HH22 ARG A 50 7.193 -0.877 -12.097 1.00 0.42 H new ATOM 966 N VAL A 51 5.233 -3.338 -3.996 1.00 0.25 N ATOM 967 CA VAL A 51 3.869 -3.616 -3.590 1.00 0.23 C ATOM 968 C VAL A 51 2.955 -2.409 -3.849 1.00 0.19 C ATOM 969 O VAL A 51 3.311 -1.271 -3.542 1.00 0.18 O ATOM 970 CB VAL A 51 3.817 -4.006 -2.095 1.00 0.23 C ATOM 971 CG1 VAL A 51 4.503 -2.961 -1.227 1.00 0.22 C ATOM 972 CG2 VAL A 51 2.386 -4.199 -1.658 1.00 0.21 C ATOM 0 H VAL A 51 5.507 -2.361 -3.889 1.00 0.25 H new ATOM 0 HA VAL A 51 3.509 -4.453 -4.188 1.00 0.23 H new ATOM 0 HB VAL A 51 4.355 -4.946 -1.971 1.00 0.23 H new ATOM 0 HG11 VAL A 51 4.449 -3.264 -0.181 1.00 0.22 H new ATOM 0 HG12 VAL A 51 5.547 -2.869 -1.525 1.00 0.22 H new ATOM 0 HG13 VAL A 51 4.004 -2.000 -1.352 1.00 0.22 H new ATOM 0 HG21 VAL A 51 2.361 -4.473 -0.603 1.00 0.21 H new ATOM 0 HG22 VAL A 51 1.833 -3.271 -1.805 1.00 0.21 H new ATOM 0 HG23 VAL A 51 1.929 -4.992 -2.250 1.00 0.21 H new ATOM 982 N LYS A 52 1.787 -2.666 -4.442 1.00 0.18 N ATOM 983 CA LYS A 52 0.812 -1.610 -4.735 1.00 0.15 C ATOM 984 C LYS A 52 0.227 -1.016 -3.442 1.00 0.13 C ATOM 985 O LYS A 52 -0.197 -1.753 -2.553 1.00 0.14 O ATOM 986 CB LYS A 52 -0.323 -2.170 -5.606 1.00 0.16 C ATOM 987 CG LYS A 52 0.142 -3.209 -6.623 1.00 0.21 C ATOM 988 CD LYS A 52 -0.046 -2.739 -8.058 1.00 0.23 C ATOM 989 CE LYS A 52 0.681 -3.644 -9.047 1.00 0.29 C ATOM 990 NZ LYS A 52 0.165 -5.043 -9.004 1.00 0.28 N ATOM 0 H LYS A 52 1.492 -3.599 -4.730 1.00 0.18 H new ATOM 0 HA LYS A 52 1.329 -0.816 -5.273 1.00 0.15 H new ATOM 0 HB2 LYS A 52 -1.078 -2.619 -4.960 1.00 0.16 H new ATOM 0 HB3 LYS A 52 -0.804 -1.347 -6.134 1.00 0.16 H new ATOM 0 HG2 LYS A 52 1.195 -3.435 -6.452 1.00 0.21 H new ATOM 0 HG3 LYS A 52 -0.412 -4.136 -6.471 1.00 0.21 H new ATOM 0 HD2 LYS A 52 -1.109 -2.718 -8.298 1.00 0.23 H new ATOM 0 HD3 LYS A 52 0.324 -1.719 -8.158 1.00 0.23 H new ATOM 0 HE2 LYS A 52 0.567 -3.246 -10.055 1.00 0.29 H new ATOM 0 HE3 LYS A 52 1.748 -3.643 -8.823 1.00 0.29 H new ATOM 0 HZ1 LYS A 52 0.625 -5.606 -9.748 1.00 0.28 H new ATOM 0 HZ2 LYS A 52 0.373 -5.461 -8.075 1.00 0.28 H new ATOM 0 HZ3 LYS A 52 -0.863 -5.039 -9.159 1.00 0.28 H new ATOM 1004 N LEU A 53 0.217 0.318 -3.347 1.00 0.12 N ATOM 1005 CA LEU A 53 -0.321 1.014 -2.171 1.00 0.12 C ATOM 1006 C LEU A 53 -1.695 1.619 -2.473 1.00 0.13 C ATOM 1007 O LEU A 53 -1.914 2.213 -3.527 1.00 0.13 O ATOM 1008 CB LEU A 53 0.654 2.110 -1.707 1.00 0.13 C ATOM 1009 CG LEU A 53 0.488 2.622 -0.263 1.00 0.15 C ATOM 1010 CD1 LEU A 53 -0.665 3.609 -0.148 1.00 0.19 C ATOM 1011 CD2 LEU A 53 0.286 1.465 0.700 1.00 0.17 C ATOM 0 H LEU A 53 0.576 0.939 -4.072 1.00 0.12 H new ATOM 0 HA LEU A 53 -0.439 0.285 -1.369 1.00 0.12 H new ATOM 0 HB2 LEU A 53 1.670 1.730 -1.818 1.00 0.13 H new ATOM 0 HB3 LEU A 53 0.556 2.960 -2.382 1.00 0.13 H new ATOM 0 HG LEU A 53 1.406 3.145 0.004 1.00 0.15 H new ATOM 0 HD11 LEU A 53 -0.752 3.948 0.884 1.00 0.19 H new ATOM 0 HD12 LEU A 53 -0.478 4.465 -0.797 1.00 0.19 H new ATOM 0 HD13 LEU A 53 -1.592 3.122 -0.449 1.00 0.19 H new ATOM 0 HD21 LEU A 53 0.171 1.851 1.713 1.00 0.17 H new ATOM 0 HD22 LEU A 53 -0.609 0.910 0.419 1.00 0.17 H new ATOM 0 HD23 LEU A 53 1.151 0.803 0.660 1.00 0.17 H new ATOM 1023 N THR A 54 -2.604 1.453 -1.526 1.00 0.16 N ATOM 1024 CA THR A 54 -3.959 1.956 -1.638 1.00 0.18 C ATOM 1025 C THR A 54 -4.324 2.823 -0.451 1.00 0.22 C ATOM 1026 O THR A 54 -4.540 2.335 0.650 1.00 0.25 O ATOM 1027 CB THR A 54 -5.008 0.847 -1.745 1.00 0.21 C ATOM 1028 OG1 THR A 54 -4.507 -0.246 -2.524 1.00 0.22 O ATOM 1029 CG2 THR A 54 -6.252 1.416 -2.392 1.00 0.23 C ATOM 0 H THR A 54 -2.418 0.961 -0.652 1.00 0.16 H new ATOM 0 HA THR A 54 -3.969 2.538 -2.560 1.00 0.18 H new ATOM 0 HB THR A 54 -5.244 0.474 -0.748 1.00 0.21 H new ATOM 0 HG1 THR A 54 -5.083 -0.383 -3.305 1.00 0.22 H new ATOM 0 HG21 THR A 54 -7.009 0.636 -2.475 1.00 0.23 H new ATOM 0 HG22 THR A 54 -6.638 2.233 -1.782 1.00 0.23 H new ATOM 0 HG23 THR A 54 -6.007 1.790 -3.386 1.00 0.23 H new ATOM 1037 N LEU A 55 -4.405 4.100 -0.696 1.00 0.22 N ATOM 1038 CA LEU A 55 -4.753 5.073 0.315 1.00 0.26 C ATOM 1039 C LEU A 55 -6.261 5.103 0.527 1.00 0.28 C ATOM 1040 O LEU A 55 -7.021 4.739 -0.370 1.00 0.28 O ATOM 1041 CB LEU A 55 -4.271 6.417 -0.155 1.00 0.26 C ATOM 1042 CG LEU A 55 -2.962 6.368 -0.944 1.00 0.24 C ATOM 1043 CD1 LEU A 55 -3.158 6.946 -2.321 1.00 0.24 C ATOM 1044 CD2 LEU A 55 -1.854 7.104 -0.219 1.00 0.25 C ATOM 0 H LEU A 55 -4.230 4.506 -1.615 1.00 0.22 H new ATOM 0 HA LEU A 55 -4.287 4.811 1.265 1.00 0.26 H new ATOM 0 HB2 LEU A 55 -5.042 6.870 -0.778 1.00 0.26 H new ATOM 0 HB3 LEU A 55 -4.138 7.066 0.710 1.00 0.26 H new ATOM 0 HG LEU A 55 -2.667 5.323 -1.037 1.00 0.24 H new ATOM 0 HD11 LEU A 55 -2.218 6.904 -2.870 1.00 0.24 H new ATOM 0 HD12 LEU A 55 -3.915 6.370 -2.853 1.00 0.24 H new ATOM 0 HD13 LEU A 55 -3.484 7.983 -2.237 1.00 0.24 H new ATOM 0 HD21 LEU A 55 -0.937 7.051 -0.806 1.00 0.25 H new ATOM 0 HD22 LEU A 55 -2.138 8.148 -0.084 1.00 0.25 H new ATOM 0 HD23 LEU A 55 -1.689 6.644 0.755 1.00 0.25 H new ATOM 1056 N TRP A 56 -6.695 5.557 1.698 1.00 0.32 N ATOM 1057 CA TRP A 56 -8.119 5.584 2.007 1.00 0.36 C ATOM 1058 C TRP A 56 -8.599 6.919 2.584 1.00 0.40 C ATOM 1059 O TRP A 56 -8.074 7.417 3.582 1.00 0.42 O ATOM 1060 CB TRP A 56 -8.424 4.429 2.954 1.00 0.36 C ATOM 1061 CG TRP A 56 -8.506 3.114 2.233 1.00 0.33 C ATOM 1062 CD1 TRP A 56 -7.495 2.200 2.082 1.00 0.30 C ATOM 1063 CD2 TRP A 56 -9.654 2.568 1.548 1.00 0.34 C ATOM 1064 NE1 TRP A 56 -7.928 1.139 1.333 1.00 0.30 N ATOM 1065 CE2 TRP A 56 -9.262 1.334 1.006 1.00 0.31 C ATOM 1066 CE3 TRP A 56 -10.967 3.003 1.337 1.00 0.38 C ATOM 1067 CZ2 TRP A 56 -10.134 0.541 0.270 1.00 0.32 C ATOM 1068 CZ3 TRP A 56 -11.821 2.214 0.605 1.00 0.38 C ATOM 1069 CH2 TRP A 56 -11.404 0.999 0.079 1.00 0.34 C ATOM 0 H TRP A 56 -6.089 5.907 2.440 1.00 0.32 H new ATOM 0 HA TRP A 56 -8.670 5.471 1.073 1.00 0.36 H new ATOM 0 HB2 TRP A 56 -7.650 4.375 3.720 1.00 0.36 H new ATOM 0 HB3 TRP A 56 -9.367 4.620 3.467 1.00 0.36 H new ATOM 0 HD1 TRP A 56 -6.502 2.302 2.494 1.00 0.30 H new ATOM 0 HE1 TRP A 56 -7.362 0.336 1.060 1.00 0.30 H new ATOM 0 HE3 TRP A 56 -11.304 3.945 1.744 1.00 0.38 H new ATOM 0 HZ2 TRP A 56 -9.816 -0.407 -0.138 1.00 0.32 H new ATOM 0 HZ3 TRP A 56 -12.835 2.545 0.436 1.00 0.38 H new ATOM 0 HH2 TRP A 56 -12.100 0.404 -0.494 1.00 0.34 H new ATOM 1080 N GLY A 57 -9.607 7.478 1.910 1.00 0.42 N ATOM 1081 CA GLY A 57 -10.236 8.735 2.297 1.00 0.47 C ATOM 1082 C GLY A 57 -9.333 9.954 2.172 1.00 0.47 C ATOM 1083 O GLY A 57 -9.170 10.491 1.077 1.00 0.46 O ATOM 0 H GLY A 57 -10.011 7.062 1.071 1.00 0.42 H new ATOM 0 HA2 GLY A 57 -11.122 8.889 1.680 1.00 0.47 H new ATOM 0 HA3 GLY A 57 -10.576 8.654 3.329 1.00 0.47 H new ATOM 1087 N LYS A 58 -8.749 10.401 3.283 1.00 0.49 N ATOM 1088 CA LYS A 58 -7.884 11.587 3.264 1.00 0.50 C ATOM 1089 C LYS A 58 -6.474 11.272 2.762 1.00 0.46 C ATOM 1090 O LYS A 58 -5.793 12.159 2.257 1.00 0.46 O ATOM 1091 CB LYS A 58 -7.839 12.266 4.642 1.00 0.54 C ATOM 1092 CG LYS A 58 -7.947 11.310 5.819 1.00 0.54 C ATOM 1093 CD LYS A 58 -6.649 10.556 6.034 1.00 0.51 C ATOM 1094 CE LYS A 58 -6.899 9.124 6.451 1.00 0.49 C ATOM 1095 NZ LYS A 58 -7.268 9.018 7.892 1.00 0.55 N ATOM 0 H LYS A 58 -8.855 9.967 4.200 1.00 0.49 H new ATOM 0 HA LYS A 58 -8.326 12.286 2.554 1.00 0.50 H new ATOM 0 HB2 LYS A 58 -6.907 12.824 4.728 1.00 0.54 H new ATOM 0 HB3 LYS A 58 -8.651 12.991 4.703 1.00 0.54 H new ATOM 0 HG2 LYS A 58 -8.201 11.867 6.721 1.00 0.54 H new ATOM 0 HG3 LYS A 58 -8.757 10.602 5.643 1.00 0.54 H new ATOM 0 HD2 LYS A 58 -6.063 10.571 5.115 1.00 0.51 H new ATOM 0 HD3 LYS A 58 -6.057 11.060 6.798 1.00 0.51 H new ATOM 0 HE2 LYS A 58 -7.698 8.703 5.840 1.00 0.49 H new ATOM 0 HE3 LYS A 58 -6.005 8.530 6.261 1.00 0.49 H new ATOM 0 HZ1 LYS A 58 -7.480 8.027 8.124 1.00 0.55 H new ATOM 0 HZ2 LYS A 58 -6.476 9.349 8.479 1.00 0.55 H new ATOM 0 HZ3 LYS A 58 -8.106 9.604 8.080 1.00 0.55 H new ATOM 1109 N HIS A 59 -6.042 10.016 2.894 1.00 0.42 N ATOM 1110 CA HIS A 59 -4.734 9.595 2.408 1.00 0.39 C ATOM 1111 C HIS A 59 -4.727 9.548 0.886 1.00 0.36 C ATOM 1112 O HIS A 59 -3.672 9.624 0.253 1.00 0.34 O ATOM 1113 CB HIS A 59 -4.379 8.215 2.966 1.00 0.36 C ATOM 1114 CG HIS A 59 -3.810 8.252 4.350 1.00 0.38 C ATOM 1115 ND1 HIS A 59 -4.194 7.614 5.479 1.00 0.38 N flip ATOM 1116 CD2 HIS A 59 -2.709 9.009 4.694 1.00 0.39 C flip ATOM 1117 CE1 HIS A 59 -3.327 7.993 6.474 1.00 0.40 C flip ATOM 1118 NE2 HIS A 59 -2.441 8.833 5.977 1.00 0.41 N flip ATOM 0 H HIS A 59 -6.584 9.273 3.336 1.00 0.42 H new ATOM 0 HA HIS A 59 -3.992 10.318 2.747 1.00 0.39 H new ATOM 0 HB2 HIS A 59 -5.274 7.593 2.967 1.00 0.36 H new ATOM 0 HB3 HIS A 59 -3.660 7.738 2.300 1.00 0.36 H new ATOM 0 HD1 HIS A 59 -4.981 6.971 5.574 1.00 0.38 H new ATOM 0 HD2 HIS A 59 -2.153 9.645 4.021 1.00 0.39 H new ATOM 0 HE1 HIS A 59 -3.365 7.657 7.500 1.00 0.40 H new ATOM 1126 N ALA A 60 -5.916 9.425 0.307 1.00 0.37 N ATOM 1127 CA ALA A 60 -6.072 9.359 -1.139 1.00 0.36 C ATOM 1128 C ALA A 60 -5.473 10.578 -1.829 1.00 0.37 C ATOM 1129 O ALA A 60 -5.849 11.715 -1.544 1.00 0.41 O ATOM 1130 CB ALA A 60 -7.542 9.222 -1.497 1.00 0.38 C ATOM 0 H ALA A 60 -6.793 9.369 0.824 1.00 0.37 H new ATOM 0 HA ALA A 60 -5.530 8.482 -1.493 1.00 0.36 H new ATOM 0 HB1 ALA A 60 -7.650 9.173 -2.581 1.00 0.38 H new ATOM 0 HB2 ALA A 60 -7.942 8.311 -1.051 1.00 0.38 H new ATOM 0 HB3 ALA A 60 -8.091 10.083 -1.116 1.00 0.38 H new ATOM 1136 N GLY A 61 -4.537 10.330 -2.742 1.00 0.35 N ATOM 1137 CA GLY A 61 -3.897 11.413 -3.472 1.00 0.37 C ATOM 1138 C GLY A 61 -3.217 12.425 -2.567 1.00 0.39 C ATOM 1139 O GLY A 61 -2.759 13.471 -3.031 1.00 0.41 O ATOM 0 H GLY A 61 -4.209 9.396 -2.990 1.00 0.35 H new ATOM 0 HA2 GLY A 61 -3.160 10.995 -4.157 1.00 0.37 H new ATOM 0 HA3 GLY A 61 -4.644 11.923 -4.080 1.00 0.37 H new ATOM 1143 N SER A 62 -3.147 12.120 -1.274 1.00 0.39 N ATOM 1144 CA SER A 62 -2.522 13.020 -0.311 1.00 0.41 C ATOM 1145 C SER A 62 -1.012 12.813 -0.263 1.00 0.39 C ATOM 1146 O SER A 62 -0.274 13.677 0.214 1.00 0.41 O ATOM 1147 CB SER A 62 -3.119 12.806 1.080 1.00 0.42 C ATOM 1148 OG SER A 62 -2.327 13.429 2.077 1.00 0.44 O ATOM 0 H SER A 62 -3.515 11.258 -0.870 1.00 0.39 H new ATOM 0 HA SER A 62 -2.718 14.043 -0.633 1.00 0.41 H new ATOM 0 HB2 SER A 62 -4.131 13.209 1.111 1.00 0.42 H new ATOM 0 HB3 SER A 62 -3.195 11.738 1.286 1.00 0.42 H new ATOM 0 HG SER A 62 -2.731 13.279 2.957 1.00 0.44 H new ATOM 1154 N ILE A 63 -0.553 11.668 -0.759 1.00 0.35 N ATOM 1155 CA ILE A 63 0.870 11.358 -0.762 1.00 0.33 C ATOM 1156 C ILE A 63 1.610 12.132 -1.846 1.00 0.35 C ATOM 1157 O ILE A 63 1.000 12.789 -2.689 1.00 0.37 O ATOM 1158 CB ILE A 63 1.126 9.851 -0.956 1.00 0.29 C ATOM 1159 CG1 ILE A 63 0.270 9.307 -2.097 1.00 0.28 C ATOM 1160 CG2 ILE A 63 0.842 9.097 0.334 1.00 0.28 C ATOM 1161 CD1 ILE A 63 1.081 8.795 -3.268 1.00 0.26 C ATOM 0 H ILE A 63 -1.145 10.942 -1.163 1.00 0.35 H new ATOM 0 HA ILE A 63 1.250 11.659 0.214 1.00 0.33 H new ATOM 0 HB ILE A 63 2.175 9.706 -1.216 1.00 0.29 H new ATOM 0 HG12 ILE A 63 -0.356 8.499 -1.718 1.00 0.28 H new ATOM 0 HG13 ILE A 63 -0.400 10.093 -2.445 1.00 0.28 H new ATOM 0 HG21 ILE A 63 1.027 8.034 0.182 1.00 0.28 H new ATOM 0 HG22 ILE A 63 1.494 9.470 1.124 1.00 0.28 H new ATOM 0 HG23 ILE A 63 -0.199 9.247 0.621 1.00 0.28 H new ATOM 0 HD11 ILE A 63 0.409 8.424 -4.042 1.00 0.26 H new ATOM 0 HD12 ILE A 63 1.687 9.605 -3.673 1.00 0.26 H new ATOM 0 HD13 ILE A 63 1.732 7.987 -2.934 1.00 0.26 H new ATOM 1173 N LYS A 64 2.932 12.044 -1.804 1.00 0.34 N ATOM 1174 CA LYS A 64 3.794 12.732 -2.755 1.00 0.36 C ATOM 1175 C LYS A 64 4.322 11.775 -3.818 1.00 0.34 C ATOM 1176 O LYS A 64 3.916 10.616 -3.892 1.00 0.31 O ATOM 1177 CB LYS A 64 4.960 13.398 -2.024 1.00 0.38 C ATOM 1178 CG LYS A 64 4.746 14.878 -1.753 1.00 0.41 C ATOM 1179 CD LYS A 64 6.019 15.546 -1.259 1.00 0.43 C ATOM 1180 CE LYS A 64 5.714 16.708 -0.330 1.00 0.46 C ATOM 1181 NZ LYS A 64 6.929 17.176 0.394 1.00 0.47 N ATOM 0 H LYS A 64 3.437 11.494 -1.110 1.00 0.34 H new ATOM 0 HA LYS A 64 3.199 13.497 -3.254 1.00 0.36 H new ATOM 0 HB2 LYS A 64 5.124 12.884 -1.077 1.00 0.38 H new ATOM 0 HB3 LYS A 64 5.867 13.273 -2.616 1.00 0.38 H new ATOM 0 HG2 LYS A 64 4.406 15.370 -2.664 1.00 0.41 H new ATOM 0 HG3 LYS A 64 3.958 15.002 -1.011 1.00 0.41 H new ATOM 0 HD2 LYS A 64 6.636 14.814 -0.738 1.00 0.43 H new ATOM 0 HD3 LYS A 64 6.598 15.902 -2.111 1.00 0.43 H new ATOM 0 HE2 LYS A 64 5.295 17.533 -0.906 1.00 0.46 H new ATOM 0 HE3 LYS A 64 4.955 16.406 0.392 1.00 0.46 H new ATOM 0 HZ1 LYS A 64 6.678 17.970 1.017 1.00 0.47 H new ATOM 0 HZ2 LYS A 64 7.315 16.397 0.964 1.00 0.47 H new ATOM 0 HZ3 LYS A 64 7.644 17.489 -0.294 1.00 0.47 H new ATOM 1195 N GLU A 65 5.232 12.285 -4.634 1.00 0.36 N ATOM 1196 CA GLU A 65 5.852 11.515 -5.706 1.00 0.36 C ATOM 1197 C GLU A 65 7.108 10.859 -5.163 1.00 0.35 C ATOM 1198 O GLU A 65 7.351 10.922 -3.964 1.00 0.34 O ATOM 1199 CB GLU A 65 6.190 12.415 -6.896 1.00 0.40 C ATOM 1200 CG GLU A 65 5.400 12.085 -8.152 1.00 0.40 C ATOM 1201 CD GLU A 65 5.364 13.236 -9.138 1.00 0.44 C ATOM 1202 OE1 GLU A 65 6.438 13.607 -9.656 1.00 0.47 O ATOM 1203 OE2 GLU A 65 4.262 13.765 -9.392 1.00 0.45 O ATOM 0 H GLU A 65 5.564 13.248 -4.573 1.00 0.36 H new ATOM 0 HA GLU A 65 5.157 10.752 -6.057 1.00 0.36 H new ATOM 0 HB2 GLU A 65 6.002 13.453 -6.621 1.00 0.40 H new ATOM 0 HB3 GLU A 65 7.255 12.331 -7.114 1.00 0.40 H new ATOM 0 HG2 GLU A 65 5.840 11.212 -8.634 1.00 0.40 H new ATOM 0 HG3 GLU A 65 4.380 11.817 -7.875 1.00 0.40 H new ATOM 1210 N GLY A 66 7.886 10.218 -6.033 1.00 0.36 N ATOM 1211 CA GLY A 66 9.076 9.504 -5.587 1.00 0.35 C ATOM 1212 C GLY A 66 9.866 10.232 -4.514 1.00 0.36 C ATOM 1213 O GLY A 66 10.829 10.947 -4.796 1.00 0.39 O ATOM 0 H GLY A 66 7.716 10.179 -7.038 1.00 0.36 H new ATOM 0 HA2 GLY A 66 8.780 8.527 -5.206 1.00 0.35 H new ATOM 0 HA3 GLY A 66 9.725 9.328 -6.445 1.00 0.35 H new ATOM 1217 N GLN A 67 9.428 10.028 -3.272 1.00 0.34 N ATOM 1218 CA GLN A 67 10.051 10.612 -2.093 1.00 0.35 C ATOM 1219 C GLN A 67 10.131 9.551 -0.997 1.00 0.32 C ATOM 1220 O GLN A 67 9.412 8.554 -1.047 1.00 0.30 O ATOM 1221 CB GLN A 67 9.243 11.823 -1.604 1.00 0.36 C ATOM 1222 CG GLN A 67 7.825 11.482 -1.174 1.00 0.34 C ATOM 1223 CD GLN A 67 7.655 11.476 0.328 1.00 0.33 C ATOM 1224 OE1 GLN A 67 7.232 12.467 0.923 1.00 0.35 O ATOM 1225 NE2 GLN A 67 7.984 10.353 0.948 1.00 0.31 N ATOM 0 H GLN A 67 8.620 9.444 -3.058 1.00 0.34 H new ATOM 0 HA GLN A 67 11.055 10.954 -2.345 1.00 0.35 H new ATOM 0 HB2 GLN A 67 9.766 12.282 -0.765 1.00 0.36 H new ATOM 0 HB3 GLN A 67 9.202 12.566 -2.400 1.00 0.36 H new ATOM 0 HG2 GLN A 67 7.134 12.203 -1.611 1.00 0.34 H new ATOM 0 HG3 GLN A 67 7.556 10.503 -1.570 1.00 0.34 H new ATOM 0 HE21 GLN A 67 8.330 9.557 0.412 1.00 0.31 H new ATOM 0 HE22 GLN A 67 7.891 10.284 1.961 1.00 0.31 H new ATOM 1234 N VAL A 68 10.996 9.756 -0.010 1.00 0.33 N ATOM 1235 CA VAL A 68 11.137 8.784 1.073 1.00 0.31 C ATOM 1236 C VAL A 68 10.009 8.911 2.089 1.00 0.30 C ATOM 1237 O VAL A 68 9.896 9.921 2.785 1.00 0.32 O ATOM 1238 CB VAL A 68 12.481 8.930 1.807 1.00 0.33 C ATOM 1239 CG1 VAL A 68 12.782 7.668 2.601 1.00 0.32 C ATOM 1240 CG2 VAL A 68 13.602 9.233 0.824 1.00 0.36 C ATOM 0 H VAL A 68 11.603 10.573 0.065 1.00 0.33 H new ATOM 0 HA VAL A 68 11.094 7.801 0.603 1.00 0.31 H new ATOM 0 HB VAL A 68 12.411 9.767 2.501 1.00 0.33 H new ATOM 0 HG11 VAL A 68 13.735 7.781 3.117 1.00 0.32 H new ATOM 0 HG12 VAL A 68 11.991 7.501 3.332 1.00 0.32 H new ATOM 0 HG13 VAL A 68 12.835 6.816 1.923 1.00 0.32 H new ATOM 0 HG21 VAL A 68 14.543 9.332 1.365 1.00 0.36 H new ATOM 0 HG22 VAL A 68 13.682 8.420 0.102 1.00 0.36 H new ATOM 0 HG23 VAL A 68 13.385 10.164 0.300 1.00 0.36 H new ATOM 1250 N VAL A 69 9.182 7.873 2.175 1.00 0.28 N ATOM 1251 CA VAL A 69 8.064 7.853 3.112 1.00 0.27 C ATOM 1252 C VAL A 69 8.211 6.706 4.098 1.00 0.27 C ATOM 1253 O VAL A 69 9.154 5.919 4.014 1.00 0.27 O ATOM 1254 CB VAL A 69 6.696 7.708 2.403 1.00 0.26 C ATOM 1255 CG1 VAL A 69 5.859 8.962 2.582 1.00 0.28 C ATOM 1256 CG2 VAL A 69 6.872 7.377 0.925 1.00 0.24 C ATOM 0 H VAL A 69 9.266 7.032 1.604 1.00 0.28 H new ATOM 0 HA VAL A 69 8.088 8.811 3.631 1.00 0.27 H new ATOM 0 HB VAL A 69 6.166 6.877 2.868 1.00 0.26 H new ATOM 0 HG11 VAL A 69 4.902 8.836 2.075 1.00 0.28 H new ATOM 0 HG12 VAL A 69 5.687 9.136 3.644 1.00 0.28 H new ATOM 0 HG13 VAL A 69 6.386 9.815 2.155 1.00 0.28 H new ATOM 0 HG21 VAL A 69 5.893 7.281 0.455 1.00 0.24 H new ATOM 0 HG22 VAL A 69 7.433 8.175 0.438 1.00 0.24 H new ATOM 0 HG23 VAL A 69 7.416 6.438 0.825 1.00 0.24 H new ATOM 1266 N LYS A 70 7.276 6.618 5.032 1.00 0.27 N ATOM 1267 CA LYS A 70 7.294 5.562 6.030 1.00 0.28 C ATOM 1268 C LYS A 70 5.884 5.058 6.295 1.00 0.28 C ATOM 1269 O LYS A 70 5.074 5.748 6.918 1.00 0.30 O ATOM 1270 CB LYS A 70 7.924 6.070 7.328 1.00 0.31 C ATOM 1271 CG LYS A 70 8.304 4.960 8.295 1.00 0.32 C ATOM 1272 CD LYS A 70 7.791 5.243 9.697 1.00 0.35 C ATOM 1273 CE LYS A 70 8.391 4.284 10.710 1.00 0.37 C ATOM 1274 NZ LYS A 70 7.854 4.514 12.081 1.00 0.40 N ATOM 0 H LYS A 70 6.494 7.267 5.119 1.00 0.27 H new ATOM 0 HA LYS A 70 7.894 4.736 5.648 1.00 0.28 H new ATOM 0 HB2 LYS A 70 8.814 6.651 7.087 1.00 0.31 H new ATOM 0 HB3 LYS A 70 7.226 6.746 7.821 1.00 0.31 H new ATOM 0 HG2 LYS A 70 7.896 4.013 7.942 1.00 0.32 H new ATOM 0 HG3 LYS A 70 9.388 4.852 8.318 1.00 0.32 H new ATOM 0 HD2 LYS A 70 8.035 6.268 9.975 1.00 0.35 H new ATOM 0 HD3 LYS A 70 6.704 5.158 9.713 1.00 0.35 H new ATOM 0 HE2 LYS A 70 8.182 3.258 10.406 1.00 0.37 H new ATOM 0 HE3 LYS A 70 9.475 4.399 10.721 1.00 0.37 H new ATOM 0 HZ1 LYS A 70 8.289 3.839 12.742 1.00 0.40 H new ATOM 0 HZ2 LYS A 70 8.075 5.485 12.382 1.00 0.40 H new ATOM 0 HZ3 LYS A 70 6.823 4.379 12.077 1.00 0.40 H new ATOM 1288 N ILE A 71 5.595 3.853 5.820 1.00 0.26 N ATOM 1289 CA ILE A 71 4.284 3.256 6.015 1.00 0.26 C ATOM 1290 C ILE A 71 4.150 2.725 7.432 1.00 0.29 C ATOM 1291 O ILE A 71 5.105 2.197 8.001 1.00 0.30 O ATOM 1292 CB ILE A 71 4.025 2.114 5.017 1.00 0.23 C ATOM 1293 CG1 ILE A 71 4.201 2.622 3.581 1.00 0.21 C ATOM 1294 CG2 ILE A 71 2.631 1.530 5.226 1.00 0.24 C ATOM 1295 CD1 ILE A 71 3.029 3.429 3.062 1.00 0.20 C ATOM 0 H ILE A 71 6.251 3.272 5.298 1.00 0.26 H new ATOM 0 HA ILE A 71 3.544 4.037 5.843 1.00 0.26 H new ATOM 0 HB ILE A 71 4.750 1.319 5.191 1.00 0.23 H new ATOM 0 HG12 ILE A 71 5.101 3.235 3.532 1.00 0.21 H new ATOM 0 HG13 ILE A 71 4.361 1.768 2.922 1.00 0.21 H new ATOM 0 HG21 ILE A 71 2.464 0.723 4.512 1.00 0.24 H new ATOM 0 HG22 ILE A 71 2.548 1.140 6.240 1.00 0.24 H new ATOM 0 HG23 ILE A 71 1.884 2.309 5.075 1.00 0.24 H new ATOM 0 HD11 ILE A 71 3.233 3.751 2.041 1.00 0.20 H new ATOM 0 HD12 ILE A 71 2.129 2.814 3.076 1.00 0.20 H new ATOM 0 HD13 ILE A 71 2.881 4.304 3.695 1.00 0.20 H new ATOM 1307 N GLU A 72 2.961 2.868 7.994 1.00 0.31 N ATOM 1308 CA GLU A 72 2.699 2.419 9.338 1.00 0.34 C ATOM 1309 C GLU A 72 1.681 1.296 9.341 1.00 0.35 C ATOM 1310 O GLU A 72 1.223 0.840 8.294 1.00 0.33 O ATOM 1311 CB GLU A 72 2.201 3.580 10.198 1.00 0.38 C ATOM 1312 CG GLU A 72 2.790 3.596 11.601 1.00 0.41 C ATOM 1313 CD GLU A 72 1.761 3.277 12.667 1.00 0.44 C ATOM 1314 OE1 GLU A 72 0.776 4.037 12.788 1.00 0.46 O ATOM 1315 OE2 GLU A 72 1.940 2.269 13.383 1.00 0.46 O ATOM 0 H GLU A 72 2.160 3.296 7.530 1.00 0.31 H new ATOM 0 HA GLU A 72 3.631 2.041 9.758 1.00 0.34 H new ATOM 0 HB2 GLU A 72 2.443 4.519 9.701 1.00 0.38 H new ATOM 0 HB3 GLU A 72 1.115 3.528 10.270 1.00 0.38 H new ATOM 0 HG2 GLU A 72 3.604 2.873 11.658 1.00 0.41 H new ATOM 0 HG3 GLU A 72 3.221 4.577 11.799 1.00 0.41 H new ATOM 1322 N ASN A 73 1.348 0.870 10.535 1.00 0.39 N ATOM 1323 CA ASN A 73 0.392 -0.197 10.758 1.00 0.40 C ATOM 1324 C ASN A 73 -0.906 0.024 9.990 1.00 0.39 C ATOM 1325 O ASN A 73 -1.735 0.846 10.379 1.00 0.41 O ATOM 1326 CB ASN A 73 0.079 -0.227 12.244 1.00 0.45 C ATOM 1327 CG ASN A 73 -0.038 -1.630 12.799 1.00 0.47 C ATOM 1328 OD1 ASN A 73 0.955 -2.352 12.912 1.00 0.46 O ATOM 1329 ND2 ASN A 73 -1.256 -2.025 13.151 1.00 0.49 N ATOM 0 H ASN A 73 1.737 1.258 11.394 1.00 0.39 H new ATOM 0 HA ASN A 73 0.825 -1.134 10.409 1.00 0.40 H new ATOM 0 HB2 ASN A 73 0.861 0.307 12.784 1.00 0.45 H new ATOM 0 HB3 ASN A 73 -0.854 0.307 12.423 1.00 0.45 H new ATOM 0 HD21 ASN A 73 -1.398 -2.960 13.533 1.00 0.49 H new ATOM 0 HD22 ASN A 73 -2.049 -1.393 13.040 1.00 0.49 H new ATOM 1336 N ALA A 74 -1.026 -0.717 8.892 1.00 0.36 N ATOM 1337 CA ALA A 74 -2.215 -0.676 8.079 1.00 0.35 C ATOM 1338 C ALA A 74 -2.792 -2.071 7.951 1.00 0.36 C ATOM 1339 O ALA A 74 -3.419 -2.572 8.887 1.00 0.40 O ATOM 1340 CB ALA A 74 -1.886 -0.111 6.712 1.00 0.31 C ATOM 0 H ALA A 74 -0.305 -1.353 8.552 1.00 0.36 H new ATOM 0 HA ALA A 74 -2.955 -0.031 8.552 1.00 0.35 H new ATOM 0 HB1 ALA A 74 -2.789 -0.083 6.103 1.00 0.31 H new ATOM 0 HB2 ALA A 74 -1.491 0.899 6.821 1.00 0.31 H new ATOM 0 HB3 ALA A 74 -1.141 -0.742 6.227 1.00 0.31 H new ATOM 1346 N TRP A 75 -2.519 -2.715 6.818 1.00 0.33 N ATOM 1347 CA TRP A 75 -2.993 -4.067 6.555 1.00 0.34 C ATOM 1348 C TRP A 75 -2.640 -4.492 5.153 1.00 0.31 C ATOM 1349 O TRP A 75 -2.162 -3.698 4.341 1.00 0.28 O ATOM 1350 CB TRP A 75 -4.504 -4.178 6.753 1.00 0.37 C ATOM 1351 CG TRP A 75 -5.296 -3.155 5.995 1.00 0.36 C ATOM 1352 CD1 TRP A 75 -5.629 -3.182 4.673 1.00 0.34 C ATOM 1353 CD2 TRP A 75 -5.862 -1.949 6.521 1.00 0.38 C ATOM 1354 NE1 TRP A 75 -6.364 -2.081 4.361 1.00 0.34 N ATOM 1355 CE2 TRP A 75 -6.516 -1.315 5.473 1.00 0.37 C ATOM 1356 CE3 TRP A 75 -5.877 -1.347 7.770 1.00 0.41 C ATOM 1357 CZ2 TRP A 75 -7.171 -0.122 5.618 1.00 0.39 C ATOM 1358 CZ3 TRP A 75 -6.535 -0.145 7.924 1.00 0.44 C ATOM 1359 CH2 TRP A 75 -7.176 0.460 6.838 1.00 0.42 C ATOM 0 H TRP A 75 -1.965 -2.314 6.061 1.00 0.33 H new ATOM 0 HA TRP A 75 -2.499 -4.727 7.268 1.00 0.34 H new ATOM 0 HB2 TRP A 75 -4.828 -5.173 6.447 1.00 0.37 H new ATOM 0 HB3 TRP A 75 -4.729 -4.082 7.815 1.00 0.37 H new ATOM 0 HD1 TRP A 75 -5.351 -3.961 3.978 1.00 0.34 H new ATOM 0 HE1 TRP A 75 -6.741 -1.865 3.438 1.00 0.34 H new ATOM 0 HE3 TRP A 75 -5.381 -1.812 8.609 1.00 0.41 H new ATOM 0 HZ2 TRP A 75 -7.670 0.342 4.780 1.00 0.39 H new ATOM 0 HZ3 TRP A 75 -6.556 0.334 8.892 1.00 0.44 H new ATOM 0 HH2 TRP A 75 -7.681 1.404 6.976 1.00 0.42 H new ATOM 1370 N THR A 76 -2.880 -5.757 4.882 1.00 0.32 N ATOM 1371 CA THR A 76 -2.605 -6.321 3.586 1.00 0.30 C ATOM 1372 C THR A 76 -3.760 -7.189 3.144 1.00 0.33 C ATOM 1373 O THR A 76 -4.282 -7.993 3.913 1.00 0.36 O ATOM 1374 CB THR A 76 -1.325 -7.165 3.592 1.00 0.31 C ATOM 1375 OG1 THR A 76 -1.265 -7.938 4.794 1.00 0.36 O ATOM 1376 CG2 THR A 76 -0.090 -6.291 3.482 1.00 0.29 C ATOM 0 H THR A 76 -3.270 -6.418 5.554 1.00 0.32 H new ATOM 0 HA THR A 76 -2.468 -5.490 2.893 1.00 0.30 H new ATOM 0 HB THR A 76 -1.349 -7.828 2.727 1.00 0.31 H new ATOM 0 HG1 THR A 76 -0.471 -8.512 4.774 1.00 0.36 H new ATOM 0 HG21 THR A 76 0.801 -6.918 3.489 1.00 0.29 H new ATOM 0 HG22 THR A 76 -0.127 -5.724 2.552 1.00 0.29 H new ATOM 0 HG23 THR A 76 -0.055 -5.602 4.326 1.00 0.29 H new ATOM 1384 N THR A 77 -4.163 -7.010 1.903 1.00 0.32 N ATOM 1385 CA THR A 77 -5.260 -7.774 1.350 1.00 0.36 C ATOM 1386 C THR A 77 -4.833 -8.351 0.004 1.00 0.32 C ATOM 1387 O THR A 77 -4.303 -7.636 -0.842 1.00 0.26 O ATOM 1388 CB THR A 77 -6.533 -6.906 1.192 1.00 0.38 C ATOM 1389 OG1 THR A 77 -6.448 -6.118 0.004 1.00 0.41 O ATOM 1390 CG2 THR A 77 -6.732 -5.982 2.403 1.00 0.37 C ATOM 0 H THR A 77 -3.745 -6.340 1.257 1.00 0.32 H new ATOM 0 HA THR A 77 -5.507 -8.584 2.037 1.00 0.36 H new ATOM 0 HB THR A 77 -7.387 -7.580 1.126 1.00 0.38 H new ATOM 0 HG1 THR A 77 -6.317 -5.177 0.244 1.00 0.41 H new ATOM 0 HG21 THR A 77 -7.634 -5.386 2.262 1.00 0.37 H new ATOM 0 HG22 THR A 77 -6.832 -6.583 3.307 1.00 0.37 H new ATOM 0 HG23 THR A 77 -5.871 -5.320 2.501 1.00 0.37 H new ATOM 1398 N ALA A 78 -5.046 -9.647 -0.191 1.00 0.38 N ATOM 1399 CA ALA A 78 -4.635 -10.294 -1.430 1.00 0.37 C ATOM 1400 C ALA A 78 -5.700 -10.198 -2.517 1.00 0.35 C ATOM 1401 O ALA A 78 -6.724 -10.873 -2.458 1.00 0.39 O ATOM 1402 CB ALA A 78 -4.275 -11.746 -1.171 1.00 0.43 C ATOM 0 H ALA A 78 -5.496 -10.264 0.485 1.00 0.38 H new ATOM 0 HA ALA A 78 -3.756 -9.763 -1.794 1.00 0.37 H new ATOM 0 HB1 ALA A 78 -3.970 -12.217 -2.105 1.00 0.43 H new ATOM 0 HB2 ALA A 78 -3.455 -11.795 -0.455 1.00 0.43 H new ATOM 0 HB3 ALA A 78 -5.142 -12.269 -0.767 1.00 0.43 H new ATOM 1408 N PHE A 79 -5.442 -9.347 -3.509 1.00 0.29 N ATOM 1409 CA PHE A 79 -6.336 -9.169 -4.618 1.00 0.26 C ATOM 1410 C PHE A 79 -5.861 -9.969 -5.820 1.00 0.27 C ATOM 1411 O PHE A 79 -4.736 -9.788 -6.282 1.00 0.27 O ATOM 1412 CB PHE A 79 -6.419 -7.696 -4.987 1.00 0.23 C ATOM 1413 CG PHE A 79 -7.715 -7.379 -5.633 1.00 0.22 C ATOM 1414 CD1 PHE A 79 -8.838 -7.217 -4.866 1.00 0.27 C ATOM 1415 CD2 PHE A 79 -7.820 -7.300 -6.998 1.00 0.25 C ATOM 1416 CE1 PHE A 79 -10.047 -6.977 -5.443 1.00 0.31 C ATOM 1417 CE2 PHE A 79 -9.028 -7.055 -7.586 1.00 0.29 C ATOM 1418 CZ PHE A 79 -10.151 -6.893 -6.809 1.00 0.31 C ATOM 0 H PHE A 79 -4.603 -8.768 -3.553 1.00 0.29 H new ATOM 0 HA PHE A 79 -7.324 -9.526 -4.325 1.00 0.26 H new ATOM 0 HB2 PHE A 79 -6.297 -7.086 -4.092 1.00 0.23 H new ATOM 0 HB3 PHE A 79 -5.601 -7.440 -5.661 1.00 0.23 H new ATOM 0 HD1 PHE A 79 -8.763 -7.280 -3.790 1.00 0.27 H new ATOM 0 HD2 PHE A 79 -6.942 -7.432 -7.612 1.00 0.25 H new ATOM 0 HE1 PHE A 79 -10.925 -6.853 -4.826 1.00 0.31 H new ATOM 0 HE2 PHE A 79 -9.101 -6.988 -8.661 1.00 0.29 H new ATOM 0 HZ PHE A 79 -11.108 -6.701 -7.271 1.00 0.31 H new ATOM 1428 N LYS A 80 -6.729 -10.855 -6.314 1.00 0.30 N ATOM 1429 CA LYS A 80 -6.429 -11.693 -7.479 1.00 0.32 C ATOM 1430 C LYS A 80 -5.244 -12.634 -7.227 1.00 0.34 C ATOM 1431 O LYS A 80 -4.652 -13.161 -8.171 1.00 0.36 O ATOM 1432 CB LYS A 80 -6.164 -10.821 -8.712 1.00 0.31 C ATOM 1433 CG LYS A 80 -7.286 -9.838 -9.020 1.00 0.30 C ATOM 1434 CD LYS A 80 -8.512 -10.517 -9.611 1.00 0.33 C ATOM 1435 CE LYS A 80 -9.626 -9.510 -9.855 1.00 0.33 C ATOM 1436 NZ LYS A 80 -10.803 -10.119 -10.535 1.00 0.43 N ATOM 0 H LYS A 80 -7.657 -11.012 -5.920 1.00 0.30 H new ATOM 0 HA LYS A 80 -7.305 -12.316 -7.662 1.00 0.32 H new ATOM 0 HB2 LYS A 80 -5.238 -10.266 -8.561 1.00 0.31 H new ATOM 0 HB3 LYS A 80 -6.011 -11.467 -9.577 1.00 0.31 H new ATOM 0 HG2 LYS A 80 -7.569 -9.317 -8.105 1.00 0.30 H new ATOM 0 HG3 LYS A 80 -6.922 -9.083 -9.717 1.00 0.30 H new ATOM 0 HD2 LYS A 80 -8.246 -11.005 -10.549 1.00 0.33 H new ATOM 0 HD3 LYS A 80 -8.863 -11.296 -8.934 1.00 0.33 H new ATOM 0 HE2 LYS A 80 -9.941 -9.083 -8.903 1.00 0.33 H new ATOM 0 HE3 LYS A 80 -9.244 -8.689 -10.462 1.00 0.33 H new ATOM 0 HZ1 LYS A 80 -11.534 -9.394 -10.679 1.00 0.43 H new ATOM 0 HZ2 LYS A 80 -10.511 -10.504 -11.456 1.00 0.43 H new ATOM 0 HZ3 LYS A 80 -11.187 -10.885 -9.945 1.00 0.43 H new ATOM 1450 N GLY A 81 -4.906 -12.850 -5.955 1.00 0.35 N ATOM 1451 CA GLY A 81 -3.813 -13.744 -5.618 1.00 0.38 C ATOM 1452 C GLY A 81 -2.523 -13.019 -5.280 1.00 0.37 C ATOM 1453 O GLY A 81 -1.584 -13.632 -4.775 1.00 0.39 O ATOM 0 H GLY A 81 -5.371 -12.421 -5.155 1.00 0.35 H new ATOM 0 HA2 GLY A 81 -4.107 -14.361 -4.769 1.00 0.38 H new ATOM 0 HA3 GLY A 81 -3.633 -14.418 -6.456 1.00 0.38 H new ATOM 1457 N GLN A 82 -2.470 -11.720 -5.556 1.00 0.34 N ATOM 1458 CA GLN A 82 -1.286 -10.927 -5.242 1.00 0.33 C ATOM 1459 C GLN A 82 -1.537 -10.110 -3.986 1.00 0.30 C ATOM 1460 O GLN A 82 -2.619 -9.556 -3.812 1.00 0.29 O ATOM 1461 CB GLN A 82 -0.904 -9.978 -6.383 1.00 0.32 C ATOM 1462 CG GLN A 82 -1.843 -9.995 -7.581 1.00 0.31 C ATOM 1463 CD GLN A 82 -2.308 -8.602 -7.974 1.00 0.27 C ATOM 1464 OE1 GLN A 82 -2.521 -7.741 -6.980 1.00 0.28 O flip ATOM 1465 NE2 GLN A 82 -2.488 -8.307 -9.155 1.00 0.24 N flip ATOM 0 H GLN A 82 -3.228 -11.196 -5.994 1.00 0.34 H new ATOM 0 HA GLN A 82 -0.461 -11.623 -5.091 1.00 0.33 H new ATOM 0 HB2 GLN A 82 -0.860 -8.962 -5.990 1.00 0.32 H new ATOM 0 HB3 GLN A 82 0.100 -10.231 -6.724 1.00 0.32 H new ATOM 0 HG2 GLN A 82 -1.338 -10.459 -8.428 1.00 0.31 H new ATOM 0 HG3 GLN A 82 -2.711 -10.613 -7.350 1.00 0.31 H new ATOM 0 HE21 GLN A 82 -2.313 -8.997 -9.885 1.00 0.24 H new ATOM 0 HE22 GLN A 82 -2.813 -7.372 -9.403 1.00 0.24 H new ATOM 1474 N VAL A 83 -0.539 -10.026 -3.115 1.00 0.31 N ATOM 1475 CA VAL A 83 -0.687 -9.260 -1.883 1.00 0.30 C ATOM 1476 C VAL A 83 -0.718 -7.764 -2.191 1.00 0.26 C ATOM 1477 O VAL A 83 -0.148 -7.318 -3.187 1.00 0.25 O ATOM 1478 CB VAL A 83 0.453 -9.543 -0.875 1.00 0.33 C ATOM 1479 CG1 VAL A 83 0.078 -9.047 0.510 1.00 0.32 C ATOM 1480 CG2 VAL A 83 0.800 -11.024 -0.845 1.00 0.38 C ATOM 0 H VAL A 83 0.370 -10.472 -3.235 1.00 0.31 H new ATOM 0 HA VAL A 83 -1.627 -9.572 -1.428 1.00 0.30 H new ATOM 0 HB VAL A 83 1.339 -8.999 -1.204 1.00 0.33 H new ATOM 0 HG11 VAL A 83 0.892 -9.255 1.204 1.00 0.32 H new ATOM 0 HG12 VAL A 83 -0.103 -7.973 0.475 1.00 0.32 H new ATOM 0 HG13 VAL A 83 -0.825 -9.556 0.847 1.00 0.32 H new ATOM 0 HG21 VAL A 83 1.604 -11.195 -0.129 1.00 0.38 H new ATOM 0 HG22 VAL A 83 -0.078 -11.598 -0.549 1.00 0.38 H new ATOM 0 HG23 VAL A 83 1.124 -11.342 -1.836 1.00 0.38 H new ATOM 1490 N GLN A 84 -1.373 -6.992 -1.332 1.00 0.24 N ATOM 1491 CA GLN A 84 -1.478 -5.555 -1.538 1.00 0.21 C ATOM 1492 C GLN A 84 -1.421 -4.822 -0.205 1.00 0.21 C ATOM 1493 O GLN A 84 -1.629 -5.419 0.846 1.00 0.25 O ATOM 1494 CB GLN A 84 -2.775 -5.222 -2.279 1.00 0.20 C ATOM 1495 CG GLN A 84 -2.615 -4.134 -3.328 1.00 0.26 C ATOM 1496 CD GLN A 84 -3.854 -3.965 -4.183 1.00 0.30 C ATOM 1497 OE1 GLN A 84 -4.004 -4.624 -5.214 1.00 0.33 O ATOM 1498 NE2 GLN A 84 -4.747 -3.079 -3.765 1.00 0.37 N ATOM 0 H GLN A 84 -1.837 -7.336 -0.491 1.00 0.24 H new ATOM 0 HA GLN A 84 -0.636 -5.226 -2.146 1.00 0.21 H new ATOM 0 HB2 GLN A 84 -3.151 -6.125 -2.759 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.527 -4.909 -1.555 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -2.386 -3.189 -2.835 1.00 0.26 H new ATOM 0 HG3 GLN A 84 -1.766 -4.373 -3.968 1.00 0.26 H new ATOM 0 HE21 GLN A 84 -4.582 -2.555 -2.905 1.00 0.37 H new ATOM 0 HE22 GLN A 84 -5.599 -2.921 -4.303 1.00 0.37 H new ATOM 1507 N LEU A 85 -1.142 -3.525 -0.258 1.00 0.19 N ATOM 1508 CA LEU A 85 -1.035 -2.712 0.946 1.00 0.20 C ATOM 1509 C LEU A 85 -1.961 -1.502 0.873 1.00 0.19 C ATOM 1510 O LEU A 85 -2.259 -1.007 -0.211 1.00 0.17 O ATOM 1511 CB LEU A 85 0.407 -2.253 1.111 1.00 0.19 C ATOM 1512 CG LEU A 85 0.965 -2.320 2.531 1.00 0.22 C ATOM 1513 CD1 LEU A 85 2.201 -3.205 2.575 1.00 0.25 C ATOM 1514 CD2 LEU A 85 1.293 -0.921 3.021 1.00 0.22 C ATOM 0 H LEU A 85 -0.985 -3.013 -1.126 1.00 0.19 H new ATOM 0 HA LEU A 85 -1.334 -3.313 1.804 1.00 0.20 H new ATOM 0 HB2 LEU A 85 1.039 -2.861 0.463 1.00 0.19 H new ATOM 0 HB3 LEU A 85 0.484 -1.225 0.758 1.00 0.19 H new ATOM 0 HG LEU A 85 0.212 -2.755 3.188 1.00 0.22 H new ATOM 0 HD11 LEU A 85 2.586 -3.242 3.594 1.00 0.25 H new ATOM 0 HD12 LEU A 85 1.939 -4.212 2.249 1.00 0.25 H new ATOM 0 HD13 LEU A 85 2.965 -2.797 1.913 1.00 0.25 H new ATOM 0 HD21 LEU A 85 1.691 -0.974 4.034 1.00 0.22 H new ATOM 0 HD22 LEU A 85 2.036 -0.470 2.363 1.00 0.22 H new ATOM 0 HD23 LEU A 85 0.388 -0.313 3.018 1.00 0.22 H new ATOM 1526 N ASN A 86 -2.428 -1.040 2.032 1.00 0.21 N ATOM 1527 CA ASN A 86 -3.332 0.115 2.098 1.00 0.22 C ATOM 1528 C ASN A 86 -2.936 1.033 3.212 1.00 0.24 C ATOM 1529 O ASN A 86 -2.018 0.737 3.967 1.00 0.25 O ATOM 1530 CB ASN A 86 -4.758 -0.347 2.372 1.00 0.25 C ATOM 1531 CG ASN A 86 -5.211 -1.373 1.387 1.00 0.25 C ATOM 1532 OD1 ASN A 86 -5.960 -1.072 0.466 1.00 0.29 O ATOM 1533 ND2 ASN A 86 -4.734 -2.589 1.583 1.00 0.26 N ATOM 0 H ASN A 86 -2.197 -1.445 2.939 1.00 0.21 H new ATOM 0 HA ASN A 86 -3.272 0.634 1.141 1.00 0.22 H new ATOM 0 HB2 ASN A 86 -4.819 -0.759 3.379 1.00 0.25 H new ATOM 0 HB3 ASN A 86 -5.430 0.510 2.338 1.00 0.25 H new ATOM 0 HD21 ASN A 86 -4.986 -3.345 0.946 1.00 0.26 H new ATOM 0 HD22 ASN A 86 -4.113 -2.772 2.371 1.00 0.26 H new ATOM 1540 N ALA A 87 -3.585 2.182 3.275 1.00 0.26 N ATOM 1541 CA ALA A 87 -3.342 3.079 4.378 1.00 0.28 C ATOM 1542 C ALA A 87 -4.636 3.741 4.824 1.00 0.32 C ATOM 1543 O ALA A 87 -5.264 4.483 4.070 1.00 0.33 O ATOM 1544 CB ALA A 87 -2.308 4.128 4.014 1.00 0.27 C ATOM 0 H ALA A 87 -4.268 2.506 2.590 1.00 0.26 H new ATOM 0 HA ALA A 87 -2.948 2.491 5.207 1.00 0.28 H new ATOM 0 HB1 ALA A 87 -2.146 4.790 4.865 1.00 0.27 H new ATOM 0 HB2 ALA A 87 -1.370 3.639 3.751 1.00 0.27 H new ATOM 0 HB3 ALA A 87 -2.664 4.710 3.164 1.00 0.27 H new ATOM 1550 N GLY A 88 -5.016 3.472 6.063 1.00 0.36 N ATOM 1551 CA GLY A 88 -6.216 4.053 6.617 1.00 0.40 C ATOM 1552 C GLY A 88 -5.970 4.888 7.858 1.00 0.44 C ATOM 1553 O GLY A 88 -5.139 5.793 7.854 1.00 0.43 O ATOM 0 H GLY A 88 -4.508 2.856 6.698 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -6.691 4.675 5.859 1.00 0.40 H new ATOM 0 HA3 GLY A 88 -6.917 3.255 6.860 1.00 0.40 H new ATOM 1557 N SER A 89 -6.698 4.570 8.933 1.00 0.48 N ATOM 1558 CA SER A 89 -6.605 5.333 10.175 1.00 0.52 C ATOM 1559 C SER A 89 -5.400 4.989 11.066 1.00 0.52 C ATOM 1560 O SER A 89 -4.621 5.886 11.398 1.00 0.52 O ATOM 1561 CB SER A 89 -7.893 5.187 10.985 1.00 0.56 C ATOM 1562 OG SER A 89 -8.999 5.734 10.289 1.00 0.56 O ATOM 0 H SER A 89 -7.356 3.791 8.965 1.00 0.48 H new ATOM 0 HA SER A 89 -6.455 6.365 9.857 1.00 0.52 H new ATOM 0 HB2 SER A 89 -8.077 4.133 11.195 1.00 0.56 H new ATOM 0 HB3 SER A 89 -7.780 5.688 11.946 1.00 0.56 H new ATOM 0 HG SER A 89 -9.810 5.626 10.828 1.00 0.56 H new ATOM 1568 N LYS A 90 -5.236 3.711 11.478 1.00 0.51 N ATOM 1569 CA LYS A 90 -4.103 3.352 12.360 1.00 0.51 C ATOM 1570 C LYS A 90 -2.782 3.478 11.618 1.00 0.47 C ATOM 1571 O LYS A 90 -1.717 3.218 12.172 1.00 0.47 O ATOM 1572 CB LYS A 90 -4.214 1.936 12.968 1.00 0.53 C ATOM 1573 CG LYS A 90 -4.088 0.800 11.976 1.00 0.56 C ATOM 1574 CD LYS A 90 -5.442 0.262 11.569 1.00 0.71 C ATOM 1575 CE LYS A 90 -5.530 -1.223 11.853 1.00 0.94 C ATOM 1576 NZ LYS A 90 -6.841 -1.597 12.446 1.00 1.25 N ATOM 0 H LYS A 90 -5.850 2.936 11.225 1.00 0.51 H new ATOM 0 HA LYS A 90 -4.141 4.060 13.188 1.00 0.51 H new ATOM 0 HB2 LYS A 90 -3.441 1.822 13.728 1.00 0.53 H new ATOM 0 HB3 LYS A 90 -5.175 1.850 13.476 1.00 0.53 H new ATOM 0 HG2 LYS A 90 -3.553 1.146 11.092 1.00 0.56 H new ATOM 0 HG3 LYS A 90 -3.494 -0.002 12.414 1.00 0.56 H new ATOM 0 HD2 LYS A 90 -6.227 0.789 12.111 1.00 0.71 H new ATOM 0 HD3 LYS A 90 -5.609 0.446 10.508 1.00 0.71 H new ATOM 0 HE2 LYS A 90 -5.378 -1.779 10.928 1.00 0.94 H new ATOM 0 HE3 LYS A 90 -4.728 -1.511 12.533 1.00 0.94 H new ATOM 0 HZ1 LYS A 90 -6.688 -2.053 13.368 1.00 1.25 H new ATOM 0 HZ2 LYS A 90 -7.420 -0.743 12.575 1.00 1.25 H new ATOM 0 HZ3 LYS A 90 -7.334 -2.257 11.811 1.00 1.25 H new ATOM 1590 N THR A 91 -2.874 3.869 10.361 1.00 0.45 N ATOM 1591 CA THR A 91 -1.716 4.049 9.522 1.00 0.40 C ATOM 1592 C THR A 91 -1.367 5.533 9.437 1.00 0.42 C ATOM 1593 O THR A 91 -2.211 6.353 9.066 1.00 0.45 O ATOM 1594 CB THR A 91 -2.007 3.556 8.096 1.00 0.36 C ATOM 1595 OG1 THR A 91 -2.866 2.413 8.140 1.00 0.36 O ATOM 1596 CG2 THR A 91 -0.722 3.217 7.362 1.00 0.32 C ATOM 0 H THR A 91 -3.759 4.070 9.896 1.00 0.45 H new ATOM 0 HA THR A 91 -0.892 3.482 9.955 1.00 0.40 H new ATOM 0 HB THR A 91 -2.505 4.359 7.552 1.00 0.36 H new ATOM 0 HG1 THR A 91 -2.680 1.895 8.951 1.00 0.36 H new ATOM 0 HG21 THR A 91 -0.958 2.871 6.356 1.00 0.32 H new ATOM 0 HG22 THR A 91 -0.092 4.105 7.302 1.00 0.32 H new ATOM 0 HG23 THR A 91 -0.192 2.432 7.901 1.00 0.32 H new ATOM 1604 N LYS A 92 -0.141 5.882 9.786 1.00 0.41 N ATOM 1605 CA LYS A 92 0.300 7.269 9.720 1.00 0.42 C ATOM 1606 C LYS A 92 1.447 7.395 8.730 1.00 0.39 C ATOM 1607 O LYS A 92 2.545 6.901 8.986 1.00 0.37 O ATOM 1608 CB LYS A 92 0.744 7.756 11.100 1.00 0.46 C ATOM 1609 CG LYS A 92 -0.204 8.763 11.732 1.00 0.51 C ATOM 1610 CD LYS A 92 -1.537 8.132 12.106 1.00 0.55 C ATOM 1611 CE LYS A 92 -2.470 9.154 12.730 1.00 0.60 C ATOM 1612 NZ LYS A 92 -3.762 8.548 13.150 1.00 0.67 N ATOM 0 H LYS A 92 0.567 5.227 10.118 1.00 0.41 H new ATOM 0 HA LYS A 92 -0.533 7.888 9.387 1.00 0.42 H new ATOM 0 HB2 LYS A 92 0.841 6.897 11.764 1.00 0.46 H new ATOM 0 HB3 LYS A 92 1.733 8.206 11.015 1.00 0.46 H new ATOM 0 HG2 LYS A 92 0.259 9.188 12.623 1.00 0.51 H new ATOM 0 HG3 LYS A 92 -0.374 9.586 11.038 1.00 0.51 H new ATOM 0 HD2 LYS A 92 -2.002 7.705 11.218 1.00 0.55 H new ATOM 0 HD3 LYS A 92 -1.371 7.312 12.805 1.00 0.55 H new ATOM 0 HE2 LYS A 92 -1.985 9.607 13.594 1.00 0.60 H new ATOM 0 HE3 LYS A 92 -2.661 9.954 12.015 1.00 0.60 H new ATOM 0 HZ1 LYS A 92 -4.523 9.251 13.053 1.00 0.67 H new ATOM 0 HZ2 LYS A 92 -3.972 7.726 12.549 1.00 0.67 H new ATOM 0 HZ3 LYS A 92 -3.696 8.243 14.142 1.00 0.67 H new ATOM 1626 N ILE A 93 1.197 8.039 7.594 1.00 0.37 N ATOM 1627 CA ILE A 93 2.243 8.180 6.586 1.00 0.35 C ATOM 1628 C ILE A 93 2.975 9.507 6.740 1.00 0.37 C ATOM 1629 O ILE A 93 2.366 10.529 7.060 1.00 0.40 O ATOM 1630 CB ILE A 93 1.678 8.089 5.155 1.00 0.32 C ATOM 1631 CG1 ILE A 93 0.575 7.031 5.077 1.00 0.31 C ATOM 1632 CG2 ILE A 93 2.795 7.776 4.169 1.00 0.29 C ATOM 1633 CD1 ILE A 93 -0.120 6.976 3.734 1.00 0.29 C ATOM 0 H ILE A 93 0.301 8.463 7.351 1.00 0.37 H new ATOM 0 HA ILE A 93 2.938 7.355 6.744 1.00 0.35 H new ATOM 0 HB ILE A 93 1.242 9.052 4.891 1.00 0.32 H new ATOM 0 HG12 ILE A 93 1.005 6.053 5.294 1.00 0.31 H new ATOM 0 HG13 ILE A 93 -0.165 7.232 5.851 1.00 0.31 H new ATOM 0 HG21 ILE A 93 2.384 7.714 3.161 1.00 0.29 H new ATOM 0 HG22 ILE A 93 3.546 8.565 4.207 1.00 0.29 H new ATOM 0 HG23 ILE A 93 3.256 6.824 4.432 1.00 0.29 H new ATOM 0 HD11 ILE A 93 -0.889 6.204 3.754 1.00 0.29 H new ATOM 0 HD12 ILE A 93 -0.581 7.941 3.523 1.00 0.29 H new ATOM 0 HD13 ILE A 93 0.608 6.744 2.957 1.00 0.29 H new ATOM 1645 N ALA A 94 4.285 9.486 6.515 1.00 0.36 N ATOM 1646 CA ALA A 94 5.093 10.694 6.629 1.00 0.38 C ATOM 1647 C ALA A 94 6.457 10.513 5.971 1.00 0.36 C ATOM 1648 O ALA A 94 6.979 9.402 5.892 1.00 0.34 O ATOM 1649 CB ALA A 94 5.259 11.086 8.090 1.00 0.41 C ATOM 0 H ALA A 94 4.807 8.650 6.254 1.00 0.36 H new ATOM 0 HA ALA A 94 4.571 11.495 6.106 1.00 0.38 H new ATOM 0 HB1 ALA A 94 5.865 11.990 8.158 1.00 0.41 H new ATOM 0 HB2 ALA A 94 4.279 11.272 8.530 1.00 0.41 H new ATOM 0 HB3 ALA A 94 5.752 10.278 8.630 1.00 0.41 H new ATOM 1655 N GLU A 95 7.029 11.620 5.503 1.00 0.38 N ATOM 1656 CA GLU A 95 8.334 11.592 4.851 1.00 0.37 C ATOM 1657 C GLU A 95 9.428 11.214 5.844 1.00 0.37 C ATOM 1658 O GLU A 95 9.475 11.733 6.957 1.00 0.40 O ATOM 1659 CB GLU A 95 8.643 12.953 4.225 1.00 0.39 C ATOM 1660 CG GLU A 95 7.498 13.519 3.401 1.00 0.40 C ATOM 1661 CD GLU A 95 6.800 14.675 4.092 1.00 0.44 C ATOM 1662 OE1 GLU A 95 7.389 15.774 4.152 1.00 0.46 O ATOM 1663 OE2 GLU A 95 5.663 14.480 4.571 1.00 0.44 O ATOM 0 H GLU A 95 6.608 12.547 5.564 1.00 0.38 H new ATOM 0 HA GLU A 95 8.306 10.837 4.065 1.00 0.37 H new ATOM 0 HB2 GLU A 95 8.893 13.659 5.017 1.00 0.39 H new ATOM 0 HB3 GLU A 95 9.524 12.860 3.591 1.00 0.39 H new ATOM 0 HG2 GLU A 95 7.880 13.854 2.436 1.00 0.40 H new ATOM 0 HG3 GLU A 95 6.774 12.729 3.201 1.00 0.40 H new ATOM 1670 N ALA A 96 10.305 10.305 5.427 1.00 0.36 N ATOM 1671 CA ALA A 96 11.401 9.856 6.280 1.00 0.36 C ATOM 1672 C ALA A 96 12.749 10.063 5.597 1.00 0.37 C ATOM 1673 O ALA A 96 12.894 9.814 4.401 1.00 0.36 O ATOM 1674 CB ALA A 96 11.214 8.390 6.643 1.00 0.34 C ATOM 0 H ALA A 96 10.278 9.866 4.507 1.00 0.36 H new ATOM 0 HA ALA A 96 11.390 10.453 7.192 1.00 0.36 H new ATOM 0 HB1 ALA A 96 12.037 8.065 7.279 1.00 0.34 H new ATOM 0 HB2 ALA A 96 10.272 8.265 7.176 1.00 0.34 H new ATOM 0 HB3 ALA A 96 11.199 7.789 5.734 1.00 0.34 H new ATOM 1680 N SER A 97 13.730 10.528 6.364 1.00 0.39 N ATOM 1681 CA SER A 97 15.068 10.770 5.832 1.00 0.40 C ATOM 1682 C SER A 97 16.064 9.753 6.382 1.00 0.41 C ATOM 1683 O SER A 97 16.202 9.599 7.597 1.00 0.41 O ATOM 1684 CB SER A 97 15.528 12.188 6.173 1.00 0.43 C ATOM 1685 OG SER A 97 15.356 12.462 7.552 1.00 0.44 O ATOM 0 H SER A 97 13.625 10.745 7.355 1.00 0.39 H new ATOM 0 HA SER A 97 15.026 10.661 4.748 1.00 0.40 H new ATOM 0 HB2 SER A 97 16.577 12.308 5.903 1.00 0.43 H new ATOM 0 HB3 SER A 97 14.963 12.909 5.582 1.00 0.43 H new ATOM 0 HG SER A 97 15.528 11.649 8.071 1.00 0.44 H new ATOM 1691 N GLU A 98 16.757 9.062 5.482 1.00 0.41 N ATOM 1692 CA GLU A 98 17.741 8.063 5.878 1.00 0.41 C ATOM 1693 C GLU A 98 19.074 8.305 5.174 1.00 0.44 C ATOM 1694 O GLU A 98 19.386 9.435 4.793 1.00 0.45 O ATOM 1695 CB GLU A 98 17.223 6.657 5.562 1.00 0.40 C ATOM 1696 CG GLU A 98 16.008 6.259 6.381 1.00 0.38 C ATOM 1697 CD GLU A 98 16.367 5.400 7.577 1.00 0.39 C ATOM 1698 OE1 GLU A 98 17.194 4.477 7.419 1.00 0.40 O ATOM 1699 OE2 GLU A 98 15.821 5.651 8.673 1.00 0.39 O ATOM 0 H GLU A 98 16.655 9.176 4.474 1.00 0.41 H new ATOM 0 HA GLU A 98 17.902 8.148 6.953 1.00 0.41 H new ATOM 0 HB2 GLU A 98 16.971 6.601 4.503 1.00 0.40 H new ATOM 0 HB3 GLU A 98 18.022 5.936 5.738 1.00 0.40 H new ATOM 0 HG2 GLU A 98 15.496 7.158 6.725 1.00 0.38 H new ATOM 0 HG3 GLU A 98 15.308 5.716 5.746 1.00 0.38 H new ATOM 1706 N ASP A 99 19.857 7.243 5.006 1.00 0.45 N ATOM 1707 CA ASP A 99 21.155 7.347 4.347 1.00 0.47 C ATOM 1708 C ASP A 99 21.000 7.341 2.828 1.00 0.48 C ATOM 1709 O ASP A 99 21.967 7.120 2.100 1.00 0.50 O ATOM 1710 CB ASP A 99 22.063 6.196 4.782 1.00 0.49 C ATOM 1711 CG ASP A 99 22.694 6.439 6.139 1.00 0.50 C ATOM 1712 OD1 ASP A 99 21.943 6.568 7.129 1.00 0.49 O ATOM 1713 OD2 ASP A 99 23.940 6.504 6.212 1.00 0.52 O ATOM 0 H ASP A 99 19.616 6.302 5.317 1.00 0.45 H new ATOM 0 HA ASP A 99 21.609 8.293 4.643 1.00 0.47 H new ATOM 0 HB2 ASP A 99 21.485 5.273 4.813 1.00 0.49 H new ATOM 0 HB3 ASP A 99 22.848 6.055 4.039 1.00 0.49 H new ATOM 1718 N GLY A 100 19.780 7.583 2.360 1.00 0.45 N ATOM 1719 CA GLY A 100 19.524 7.604 0.931 1.00 0.46 C ATOM 1720 C GLY A 100 18.841 6.341 0.445 1.00 0.44 C ATOM 1721 O GLY A 100 19.499 5.421 -0.042 1.00 0.46 O ATOM 0 H GLY A 100 18.964 7.765 2.944 1.00 0.45 H new ATOM 0 HA2 GLY A 100 18.902 8.466 0.689 1.00 0.46 H new ATOM 0 HA3 GLY A 100 20.466 7.732 0.398 1.00 0.46 H new ATOM 1725 N PHE A 101 17.518 6.296 0.577 1.00 0.41 N ATOM 1726 CA PHE A 101 16.744 5.137 0.145 1.00 0.40 C ATOM 1727 C PHE A 101 16.912 4.905 -1.356 1.00 0.42 C ATOM 1728 O PHE A 101 17.057 5.859 -2.122 1.00 0.43 O ATOM 1729 CB PHE A 101 15.264 5.336 0.482 1.00 0.36 C ATOM 1730 CG PHE A 101 14.658 4.189 1.240 1.00 0.35 C ATOM 1731 CD1 PHE A 101 15.048 3.916 2.543 1.00 0.35 C ATOM 1732 CD2 PHE A 101 13.699 3.382 0.650 1.00 0.33 C ATOM 1733 CE1 PHE A 101 14.493 2.860 3.240 1.00 0.34 C ATOM 1734 CE2 PHE A 101 13.143 2.324 1.343 1.00 0.32 C ATOM 1735 CZ PHE A 101 13.541 2.062 2.638 1.00 0.33 C ATOM 0 H PHE A 101 16.960 7.049 0.980 1.00 0.41 H new ATOM 0 HA PHE A 101 17.115 4.259 0.675 1.00 0.40 H new ATOM 0 HB2 PHE A 101 15.154 6.247 1.070 1.00 0.36 H new ATOM 0 HB3 PHE A 101 14.706 5.484 -0.443 1.00 0.36 H new ATOM 0 HD1 PHE A 101 15.794 4.536 3.018 1.00 0.35 H new ATOM 0 HD2 PHE A 101 13.382 3.582 -0.363 1.00 0.33 H new ATOM 0 HE1 PHE A 101 14.804 2.659 4.255 1.00 0.34 H new ATOM 0 HE2 PHE A 101 12.397 1.702 0.871 1.00 0.32 H new ATOM 0 HZ PHE A 101 13.108 1.234 3.180 1.00 0.33 H new ATOM 1745 N PRO A 102 16.899 3.631 -1.799 1.00 0.42 N ATOM 1746 CA PRO A 102 17.052 3.286 -3.218 1.00 0.44 C ATOM 1747 C PRO A 102 16.097 4.066 -4.116 1.00 0.43 C ATOM 1748 O PRO A 102 14.959 4.343 -3.734 1.00 0.40 O ATOM 1749 CB PRO A 102 16.723 1.793 -3.258 1.00 0.44 C ATOM 1750 CG PRO A 102 17.055 1.298 -1.894 1.00 0.44 C ATOM 1751 CD PRO A 102 16.737 2.429 -0.957 1.00 0.41 C ATOM 0 HA PRO A 102 18.048 3.528 -3.588 1.00 0.44 H new ATOM 0 HB2 PRO A 102 15.673 1.625 -3.496 1.00 0.44 H new ATOM 0 HB3 PRO A 102 17.309 1.278 -4.020 1.00 0.44 H new ATOM 0 HG2 PRO A 102 16.472 0.411 -1.648 1.00 0.44 H new ATOM 0 HG3 PRO A 102 18.106 1.018 -1.825 1.00 0.44 H new ATOM 0 HD2 PRO A 102 15.724 2.350 -0.561 1.00 0.41 H new ATOM 0 HD3 PRO A 102 17.413 2.444 -0.102 1.00 0.41 H new ATOM 1759 N GLU A 103 16.567 4.416 -5.308 1.00 0.46 N ATOM 1760 CA GLU A 103 15.757 5.163 -6.264 1.00 0.46 C ATOM 1761 C GLU A 103 14.695 4.267 -6.895 1.00 0.45 C ATOM 1762 O GLU A 103 14.806 3.042 -6.868 1.00 0.45 O ATOM 1763 CB GLU A 103 16.644 5.767 -7.355 1.00 0.50 C ATOM 1764 CG GLU A 103 16.110 7.074 -7.920 1.00 0.50 C ATOM 1765 CD GLU A 103 17.133 7.801 -8.770 1.00 0.54 C ATOM 1766 OE1 GLU A 103 18.146 8.271 -8.211 1.00 0.55 O ATOM 1767 OE2 GLU A 103 16.923 7.898 -9.999 1.00 0.56 O ATOM 0 H GLU A 103 17.507 4.194 -5.636 1.00 0.46 H new ATOM 0 HA GLU A 103 15.256 5.968 -5.726 1.00 0.46 H new ATOM 0 HB2 GLU A 103 17.641 5.937 -6.948 1.00 0.50 H new ATOM 0 HB3 GLU A 103 16.749 5.046 -8.166 1.00 0.50 H new ATOM 0 HG2 GLU A 103 15.223 6.871 -8.520 1.00 0.50 H new ATOM 0 HG3 GLU A 103 15.799 7.721 -7.099 1.00 0.50 H new ATOM 1774 N SER A 104 13.667 4.891 -7.463 1.00 0.43 N ATOM 1775 CA SER A 104 12.582 4.153 -8.103 1.00 0.42 C ATOM 1776 C SER A 104 13.086 3.382 -9.319 1.00 0.46 C ATOM 1777 O SER A 104 12.517 2.356 -9.692 1.00 0.45 O ATOM 1778 CB SER A 104 11.465 5.113 -8.520 1.00 0.41 C ATOM 1779 OG SER A 104 11.230 6.089 -7.519 1.00 0.39 O ATOM 0 H SER A 104 13.562 5.905 -7.493 1.00 0.43 H new ATOM 0 HA SER A 104 12.189 3.436 -7.382 1.00 0.42 H new ATOM 0 HB2 SER A 104 11.734 5.604 -9.455 1.00 0.41 H new ATOM 0 HB3 SER A 104 10.550 4.551 -8.707 1.00 0.41 H new ATOM 0 HG SER A 104 10.296 6.039 -7.226 1.00 0.39 H new ATOM 1785 N SER A 105 14.153 3.884 -9.931 1.00 0.49 N ATOM 1786 CA SER A 105 14.732 3.242 -11.107 1.00 0.53 C ATOM 1787 C SER A 105 15.649 2.090 -10.706 1.00 0.55 C ATOM 1788 O SER A 105 16.153 1.361 -11.560 1.00 0.58 O ATOM 1789 CB SER A 105 15.508 4.262 -11.940 1.00 0.56 C ATOM 1790 OG SER A 105 14.969 4.371 -13.246 1.00 0.58 O ATOM 0 H SER A 105 14.635 4.732 -9.633 1.00 0.49 H new ATOM 0 HA SER A 105 13.916 2.838 -11.707 1.00 0.53 H new ATOM 0 HB2 SER A 105 15.479 5.235 -11.449 1.00 0.56 H new ATOM 0 HB3 SER A 105 16.555 3.966 -11.999 1.00 0.56 H new ATOM 0 HG SER A 105 15.482 5.031 -13.758 1.00 0.58 H new ATOM 1796 N GLN A 106 15.860 1.938 -9.404 1.00 0.52 N ATOM 1797 CA GLN A 106 16.716 0.875 -8.887 1.00 0.54 C ATOM 1798 C GLN A 106 15.959 0.009 -7.887 1.00 0.51 C ATOM 1799 O GLN A 106 16.550 -0.820 -7.197 1.00 0.52 O ATOM 1800 CB GLN A 106 17.962 1.470 -8.226 1.00 0.55 C ATOM 1801 CG GLN A 106 18.656 2.526 -9.070 1.00 0.58 C ATOM 1802 CD GLN A 106 20.073 2.803 -8.609 1.00 0.60 C ATOM 1803 OE1 GLN A 106 20.465 3.956 -8.425 1.00 0.60 O ATOM 1804 NE2 GLN A 106 20.852 1.743 -8.419 1.00 0.62 N ATOM 0 H GLN A 106 15.451 2.537 -8.687 1.00 0.52 H new ATOM 0 HA GLN A 106 17.023 0.249 -9.724 1.00 0.54 H new ATOM 0 HB2 GLN A 106 17.680 1.910 -7.269 1.00 0.55 H new ATOM 0 HB3 GLN A 106 18.668 0.667 -8.012 1.00 0.55 H new ATOM 0 HG2 GLN A 106 18.674 2.200 -10.110 1.00 0.58 H new ATOM 0 HG3 GLN A 106 18.079 3.450 -9.035 1.00 0.58 H new ATOM 0 HE21 GLN A 106 20.486 0.805 -8.583 1.00 0.62 H new ATOM 0 HE22 GLN A 106 21.816 1.867 -8.109 1.00 0.62 H new ATOM 1813 N ILE A 107 14.646 0.209 -7.815 1.00 0.48 N ATOM 1814 CA ILE A 107 13.804 -0.549 -6.900 1.00 0.45 C ATOM 1815 C ILE A 107 13.182 -1.761 -7.601 1.00 0.46 C ATOM 1816 O ILE A 107 12.480 -1.608 -8.603 1.00 0.46 O ATOM 1817 CB ILE A 107 12.685 0.340 -6.307 1.00 0.40 C ATOM 1818 CG1 ILE A 107 13.206 1.097 -5.084 1.00 0.39 C ATOM 1819 CG2 ILE A 107 11.460 -0.488 -5.934 1.00 0.38 C ATOM 1820 CD1 ILE A 107 12.402 2.335 -4.752 1.00 0.36 C ATOM 0 H ILE A 107 14.143 0.892 -8.382 1.00 0.48 H new ATOM 0 HA ILE A 107 14.441 -0.900 -6.088 1.00 0.45 H new ATOM 0 HB ILE A 107 12.384 1.059 -7.070 1.00 0.40 H new ATOM 0 HG12 ILE A 107 13.200 0.428 -4.223 1.00 0.39 H new ATOM 0 HG13 ILE A 107 14.243 1.383 -5.259 1.00 0.39 H new ATOM 0 HG21 ILE A 107 10.692 0.165 -5.520 1.00 0.38 H new ATOM 0 HG22 ILE A 107 11.073 -0.986 -6.823 1.00 0.38 H new ATOM 0 HG23 ILE A 107 11.739 -1.236 -5.192 1.00 0.38 H new ATOM 0 HD11 ILE A 107 12.828 2.821 -3.874 1.00 0.36 H new ATOM 0 HD12 ILE A 107 12.428 3.023 -5.597 1.00 0.36 H new ATOM 0 HD13 ILE A 107 11.369 2.054 -4.545 1.00 0.36 H new ATOM 1832 N PRO A 108 13.438 -2.984 -7.092 1.00 0.47 N ATOM 1833 CA PRO A 108 12.886 -4.214 -7.675 1.00 0.48 C ATOM 1834 C PRO A 108 11.371 -4.150 -7.829 1.00 0.45 C ATOM 1835 O PRO A 108 10.710 -3.294 -7.239 1.00 0.41 O ATOM 1836 CB PRO A 108 13.277 -5.296 -6.666 1.00 0.49 C ATOM 1837 CG PRO A 108 14.486 -4.758 -5.986 1.00 0.50 C ATOM 1838 CD PRO A 108 14.290 -3.269 -5.920 1.00 0.47 C ATOM 0 HA PRO A 108 13.268 -4.395 -8.680 1.00 0.48 H new ATOM 0 HB2 PRO A 108 12.473 -5.483 -5.955 1.00 0.49 H new ATOM 0 HB3 PRO A 108 13.490 -6.243 -7.163 1.00 0.49 H new ATOM 0 HG2 PRO A 108 14.595 -5.183 -4.988 1.00 0.50 H new ATOM 0 HG3 PRO A 108 15.391 -5.009 -6.540 1.00 0.50 H new ATOM 0 HD2 PRO A 108 13.808 -2.968 -4.990 1.00 0.47 H new ATOM 0 HD3 PRO A 108 15.239 -2.736 -5.974 1.00 0.47 H new ATOM 1846 N GLU A 109 10.827 -5.061 -8.628 1.00 0.47 N ATOM 1847 CA GLU A 109 9.389 -5.108 -8.873 1.00 0.44 C ATOM 1848 C GLU A 109 8.798 -6.440 -8.418 1.00 0.44 C ATOM 1849 O GLU A 109 7.648 -6.754 -8.723 1.00 0.43 O ATOM 1850 CB GLU A 109 9.094 -4.886 -10.357 1.00 0.46 C ATOM 1851 CG GLU A 109 9.963 -5.721 -11.283 1.00 0.51 C ATOM 1852 CD GLU A 109 9.480 -5.692 -12.721 1.00 0.53 C ATOM 1853 OE1 GLU A 109 8.493 -6.391 -13.030 1.00 0.52 O ATOM 1854 OE2 GLU A 109 10.088 -4.969 -13.537 1.00 0.55 O ATOM 0 H GLU A 109 11.361 -5.779 -9.118 1.00 0.47 H new ATOM 0 HA GLU A 109 8.924 -4.310 -8.294 1.00 0.44 H new ATOM 0 HB2 GLU A 109 8.046 -5.118 -10.549 1.00 0.46 H new ATOM 0 HB3 GLU A 109 9.236 -3.831 -10.593 1.00 0.46 H new ATOM 0 HG2 GLU A 109 10.989 -5.355 -11.241 1.00 0.51 H new ATOM 0 HG3 GLU A 109 9.978 -6.752 -10.929 1.00 0.51 H new ATOM 1861 N ASN A 110 9.596 -7.218 -7.692 1.00 0.46 N ATOM 1862 CA ASN A 110 9.154 -8.517 -7.195 1.00 0.48 C ATOM 1863 C ASN A 110 7.863 -8.386 -6.391 1.00 0.44 C ATOM 1864 O ASN A 110 7.799 -7.634 -5.420 1.00 0.41 O ATOM 1865 CB ASN A 110 10.245 -9.152 -6.328 1.00 0.50 C ATOM 1866 CG ASN A 110 10.275 -10.663 -6.453 1.00 0.54 C ATOM 1867 OD1 ASN A 110 9.377 -11.355 -5.974 1.00 0.53 O ATOM 1868 ND2 ASN A 110 11.313 -11.184 -7.098 1.00 0.58 N ATOM 0 H ASN A 110 10.552 -6.971 -7.435 1.00 0.46 H new ATOM 0 HA ASN A 110 8.960 -9.158 -8.055 1.00 0.48 H new ATOM 0 HB2 ASN A 110 11.215 -8.747 -6.615 1.00 0.50 H new ATOM 0 HB3 ASN A 110 10.082 -8.879 -5.285 1.00 0.50 H new ATOM 0 HD21 ASN A 110 11.388 -12.195 -7.212 1.00 0.58 H new ATOM 0 HD22 ASN A 110 12.035 -10.573 -7.480 1.00 0.58 H new ATOM 1875 N THR A 111 6.839 -9.124 -6.808 1.00 0.44 N ATOM 1876 CA THR A 111 5.547 -9.095 -6.134 1.00 0.41 C ATOM 1877 C THR A 111 5.487 -10.139 -5.017 1.00 0.42 C ATOM 1878 O THR A 111 5.506 -11.340 -5.287 1.00 0.45 O ATOM 1879 CB THR A 111 4.394 -9.354 -7.121 1.00 0.40 C ATOM 1880 OG1 THR A 111 4.918 -9.646 -8.422 1.00 0.44 O ATOM 1881 CG2 THR A 111 3.468 -8.150 -7.202 1.00 0.36 C ATOM 0 H THR A 111 6.880 -9.751 -7.612 1.00 0.44 H new ATOM 0 HA THR A 111 5.434 -8.099 -5.707 1.00 0.41 H new ATOM 0 HB THR A 111 3.822 -10.208 -6.759 1.00 0.40 H new ATOM 0 HG1 THR A 111 5.283 -10.556 -8.431 1.00 0.44 H new ATOM 0 HG21 THR A 111 2.662 -8.358 -7.906 1.00 0.36 H new ATOM 0 HG22 THR A 111 3.047 -7.948 -6.217 1.00 0.36 H new ATOM 0 HG23 THR A 111 4.031 -7.280 -7.541 1.00 0.36 H new ATOM 1889 N PRO A 112 5.415 -9.697 -3.745 1.00 0.40 N ATOM 1890 CA PRO A 112 5.353 -10.611 -2.597 1.00 0.42 C ATOM 1891 C PRO A 112 4.174 -11.571 -2.681 1.00 0.43 C ATOM 1892 O PRO A 112 3.071 -11.187 -3.072 1.00 0.40 O ATOM 1893 CB PRO A 112 5.191 -9.673 -1.397 1.00 0.38 C ATOM 1894 CG PRO A 112 5.730 -8.364 -1.862 1.00 0.36 C ATOM 1895 CD PRO A 112 5.393 -8.283 -3.322 1.00 0.36 C ATOM 0 HA PRO A 112 6.236 -11.248 -2.541 1.00 0.42 H new ATOM 0 HB2 PRO A 112 4.146 -9.587 -1.100 1.00 0.38 H new ATOM 0 HB3 PRO A 112 5.740 -10.041 -0.530 1.00 0.38 H new ATOM 0 HG2 PRO A 112 5.282 -7.538 -1.310 1.00 0.36 H new ATOM 0 HG3 PRO A 112 6.807 -8.306 -1.705 1.00 0.36 H new ATOM 0 HD2 PRO A 112 4.417 -7.827 -3.486 1.00 0.36 H new ATOM 0 HD3 PRO A 112 6.120 -7.686 -3.872 1.00 0.36 H new ATOM 1903 N THR A 113 4.414 -12.826 -2.310 1.00 0.46 N ATOM 1904 CA THR A 113 3.374 -13.848 -2.343 1.00 0.48 C ATOM 1905 C THR A 113 3.637 -14.931 -1.301 1.00 0.51 C ATOM 1906 O THR A 113 4.707 -15.540 -1.281 1.00 0.54 O ATOM 1907 CB THR A 113 3.272 -14.505 -3.733 1.00 0.50 C ATOM 1908 OG1 THR A 113 4.055 -13.771 -4.681 1.00 0.49 O ATOM 1909 CG2 THR A 113 1.826 -14.562 -4.200 1.00 0.49 C ATOM 0 H THR A 113 5.321 -13.159 -1.983 1.00 0.46 H new ATOM 0 HA THR A 113 2.432 -13.347 -2.117 1.00 0.48 H new ATOM 0 HB THR A 113 3.654 -15.523 -3.657 1.00 0.50 H new ATOM 0 HG1 THR A 113 3.986 -14.196 -5.561 1.00 0.49 H new ATOM 0 HG21 THR A 113 1.779 -15.030 -5.183 1.00 0.49 H new ATOM 0 HG22 THR A 113 1.238 -15.146 -3.492 1.00 0.49 H new ATOM 0 HG23 THR A 113 1.423 -13.551 -4.260 1.00 0.49 H new ATOM 1917 N ALA A 114 2.652 -15.166 -0.436 1.00 0.51 N ATOM 1918 CA ALA A 114 2.777 -16.174 0.611 1.00 0.54 C ATOM 1919 C ALA A 114 2.885 -17.575 0.016 1.00 0.58 C ATOM 1920 O ALA A 114 2.580 -17.784 -1.158 1.00 0.58 O ATOM 1921 CB ALA A 114 1.594 -16.094 1.564 1.00 0.53 C ATOM 0 H ALA A 114 1.760 -14.672 -0.441 1.00 0.51 H new ATOM 0 HA ALA A 114 3.693 -15.972 1.167 1.00 0.54 H new ATOM 0 HB1 ALA A 114 1.700 -16.852 2.340 1.00 0.53 H new ATOM 0 HB2 ALA A 114 1.563 -15.106 2.023 1.00 0.53 H new ATOM 0 HB3 ALA A 114 0.670 -16.267 1.012 1.00 0.53 H new ATOM 1927 N ARG A 115 3.322 -18.528 0.834 1.00 0.61 N ATOM 1928 CA ARG A 115 3.471 -19.908 0.387 1.00 0.65 C ATOM 1929 C ARG A 115 2.163 -20.677 0.548 1.00 0.66 C ATOM 1930 O ARG A 115 1.453 -20.509 1.540 1.00 0.66 O ATOM 1931 CB ARG A 115 4.585 -20.606 1.172 1.00 0.69 C ATOM 1932 CG ARG A 115 4.452 -20.465 2.680 1.00 0.69 C ATOM 1933 CD ARG A 115 5.669 -21.021 3.400 1.00 0.72 C ATOM 1934 NE ARG A 115 6.911 -20.426 2.915 1.00 0.71 N ATOM 1935 CZ ARG A 115 7.980 -21.134 2.558 1.00 0.74 C ATOM 1936 NH1 ARG A 115 7.962 -22.457 2.642 1.00 0.78 N ATOM 1937 NH2 ARG A 115 9.068 -20.517 2.116 1.00 0.73 N ATOM 0 H ARG A 115 3.579 -18.370 1.808 1.00 0.61 H new ATOM 0 HA ARG A 115 3.736 -19.893 -0.670 1.00 0.65 H new ATOM 0 HB2 ARG A 115 4.590 -21.665 0.914 1.00 0.69 H new ATOM 0 HB3 ARG A 115 5.547 -20.198 0.861 1.00 0.69 H new ATOM 0 HG2 ARG A 115 4.324 -19.414 2.938 1.00 0.69 H new ATOM 0 HG3 ARG A 115 3.557 -20.988 3.018 1.00 0.69 H new ATOM 0 HD2 ARG A 115 5.573 -20.837 4.470 1.00 0.72 H new ATOM 0 HD3 ARG A 115 5.708 -22.102 3.265 1.00 0.72 H new ATOM 0 HE ARG A 115 6.962 -19.410 2.846 1.00 0.71 H new ATOM 0 HH11 ARG A 115 7.127 -22.935 2.981 1.00 0.78 H new ATOM 0 HH12 ARG A 115 8.783 -22.997 2.368 1.00 0.78 H new ATOM 0 HH21 ARG A 115 9.086 -19.499 2.050 1.00 0.73 H new ATOM 0 HH22 ARG A 115 9.887 -21.060 1.843 1.00 0.73 H new ATOM 1951 N ARG A 116 1.855 -21.518 -0.432 1.00 0.68 N ATOM 1952 CA ARG A 116 0.633 -22.317 -0.403 1.00 0.70 C ATOM 1953 C ARG A 116 0.957 -23.800 -0.260 1.00 0.74 C ATOM 1954 O ARG A 116 1.999 -24.265 -0.724 1.00 0.77 O ATOM 1955 CB ARG A 116 -0.184 -22.080 -1.674 1.00 0.68 C ATOM 1956 CG ARG A 116 -0.922 -20.752 -1.686 1.00 0.64 C ATOM 1957 CD ARG A 116 -1.826 -20.629 -2.900 1.00 0.63 C ATOM 1958 NE ARG A 116 -1.304 -19.677 -3.878 1.00 0.60 N ATOM 1959 CZ ARG A 116 -1.349 -18.357 -3.723 1.00 0.56 C ATOM 1960 NH1 ARG A 116 -1.890 -17.832 -2.630 1.00 0.55 N ATOM 1961 NH2 ARG A 116 -0.853 -17.560 -4.659 1.00 0.55 N ATOM 0 H ARG A 116 2.435 -21.665 -1.258 1.00 0.68 H new ATOM 0 HA ARG A 116 0.045 -22.008 0.461 1.00 0.70 H new ATOM 0 HB2 ARG A 116 0.481 -22.124 -2.536 1.00 0.68 H new ATOM 0 HB3 ARG A 116 -0.906 -22.888 -1.787 1.00 0.68 H new ATOM 0 HG2 ARG A 116 -1.516 -20.657 -0.777 1.00 0.64 H new ATOM 0 HG3 ARG A 116 -0.202 -19.934 -1.683 1.00 0.64 H new ATOM 0 HD2 ARG A 116 -1.937 -21.606 -3.369 1.00 0.63 H new ATOM 0 HD3 ARG A 116 -2.819 -20.313 -2.582 1.00 0.63 H new ATOM 0 HE ARG A 116 -0.880 -20.046 -4.729 1.00 0.60 H new ATOM 0 HH11 ARG A 116 -2.272 -18.441 -1.907 1.00 0.55 H new ATOM 0 HH12 ARG A 116 -1.923 -16.819 -2.513 1.00 0.55 H new ATOM 0 HH21 ARG A 116 -0.436 -17.959 -5.500 1.00 0.55 H new ATOM 0 HH22 ARG A 116 -0.889 -16.548 -4.538 1.00 0.55 H new ATOM 1975 N ARG A 117 0.056 -24.538 0.384 1.00 0.76 N ATOM 1976 CA ARG A 117 0.245 -25.971 0.585 1.00 0.80 C ATOM 1977 C ARG A 117 -0.106 -26.750 -0.677 1.00 0.82 C ATOM 1978 O ARG A 117 0.718 -27.615 -1.069 1.00 0.85 O ATOM 1979 CB ARG A 117 -0.612 -26.458 1.756 1.00 0.82 C ATOM 1980 CG ARG A 117 -0.544 -25.558 2.978 1.00 0.80 C ATOM 1981 CD ARG A 117 -1.447 -26.063 4.091 1.00 0.81 C ATOM 1982 NE ARG A 117 -2.788 -25.491 4.005 1.00 0.79 N ATOM 1983 CZ ARG A 117 -3.781 -25.807 4.832 1.00 0.81 C ATOM 1984 NH1 ARG A 117 -3.587 -26.688 5.805 1.00 0.84 N ATOM 1985 NH2 ARG A 117 -4.971 -25.240 4.687 1.00 0.79 N ATOM 1986 OXT ARG A 117 -1.176 -26.496 -1.321 1.00 0.81 O ATOM 0 H ARG A 117 -0.810 -24.168 0.775 1.00 0.76 H new ATOM 0 HA ARG A 117 1.296 -26.145 0.814 1.00 0.80 H new ATOM 0 HB2 ARG A 117 -1.649 -26.534 1.429 1.00 0.82 H new ATOM 0 HB3 ARG A 117 -0.292 -27.461 2.036 1.00 0.82 H new ATOM 0 HG2 ARG A 117 0.484 -25.507 3.337 1.00 0.80 H new ATOM 0 HG3 ARG A 117 -0.836 -24.545 2.702 1.00 0.80 H new ATOM 0 HD2 ARG A 117 -1.512 -27.150 4.041 1.00 0.81 H new ATOM 0 HD3 ARG A 117 -1.007 -25.814 5.057 1.00 0.81 H new ATOM 0 HE ARG A 117 -2.974 -24.810 3.269 1.00 0.79 H new ATOM 0 HH11 ARG A 117 -2.673 -27.126 5.921 1.00 0.84 H new ATOM 0 HH12 ARG A 117 -4.352 -26.927 6.437 1.00 0.84 H new ATOM 0 HH21 ARG A 117 -5.125 -24.561 3.941 1.00 0.79 H new ATOM 0 HH22 ARG A 117 -5.732 -25.483 5.321 1.00 0.79 H new TER 2000 ARG A 117