USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 579 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 NoAdj : A 143 ASNHD21 : A 143 ASN OD1 : A 2 CACA :(metal ligand) USER MOD NoAdj : A 143 ASNHD22 : A 143 ASN OD1 : A 2 CACA :(metal ligand) USER MOD Set 1.1: A 120 MET CE :methyl -149:sc= -0.335 (180deg=0) USER MOD Set 1.2: A 157 MET CE :methyl -139:sc= -2.48 (180deg=-5.02!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= -0.861! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0457 USER MOD Single : A 98 SER OG : rot -75:sc= 0.27 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -4.12! C(o=-4.1!,f=-4.6!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= -0.535 K(o=-0.53,f=0) USER MOD Single : A 124 THR OG1 : rot -32:sc= 0.0477 USER MOD Single : A 127 THR OG1 : rot 53:sc= 0.0273! USER MOD Single : A 129 THR OG1 : rot 133:sc= 1.09 USER MOD Single : A 137 MET CE :methyl -162:sc= -2 (180deg=-3.05!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 ASN : amide:sc= -0.402 X(o=-0.4,f=-0.064) USER MOD Single : A 150 TYR OH : rot 180:sc= -0.867 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 86 59.876 -24.838 1.790 1.00 7.24 N ATOM 2 CA LYS A 86 59.502 -24.345 3.148 1.00 7.10 C ATOM 3 C LYS A 86 59.714 -22.831 3.237 1.00 6.94 C ATOM 4 O LYS A 86 58.800 -22.082 3.518 1.00 7.49 O ATOM 5 CB LYS A 86 60.442 -25.075 4.107 1.00 7.61 C ATOM 6 CG LYS A 86 60.100 -24.693 5.549 1.00 8.01 C ATOM 7 CD LYS A 86 60.415 -25.868 6.476 1.00 8.72 C ATOM 8 CE LYS A 86 61.281 -25.384 7.642 1.00 9.14 C ATOM 9 NZ LYS A 86 60.982 -26.324 8.758 1.00 9.95 N ATOM 0 HA LYS A 86 58.454 -24.534 3.382 1.00 7.10 H new ATOM 0 HB2 LYS A 86 60.349 -26.153 3.974 1.00 7.61 H new ATOM 0 HB3 LYS A 86 61.477 -24.815 3.887 1.00 7.61 H new ATOM 0 HG2 LYS A 86 60.672 -23.815 5.849 1.00 8.01 H new ATOM 0 HG3 LYS A 86 59.046 -24.428 5.626 1.00 8.01 H new ATOM 0 HD2 LYS A 86 59.490 -26.305 6.853 1.00 8.72 H new ATOM 0 HD3 LYS A 86 60.935 -26.651 5.924 1.00 8.72 H new ATOM 0 HE2 LYS A 86 62.339 -25.403 7.382 1.00 9.14 H new ATOM 0 HE3 LYS A 86 61.038 -24.357 7.915 1.00 9.14 H new ATOM 0 HZ1 LYS A 86 61.539 -26.057 9.595 1.00 9.95 H new ATOM 0 HZ2 LYS A 86 59.969 -26.279 8.988 1.00 9.95 H new ATOM 0 HZ3 LYS A 86 61.230 -27.293 8.472 1.00 9.95 H new ATOM 25 N ASP A 87 60.914 -22.376 2.998 1.00 6.50 N ATOM 26 CA ASP A 87 61.184 -20.911 3.068 1.00 6.70 C ATOM 27 C ASP A 87 60.911 -20.259 1.710 1.00 6.03 C ATOM 28 O ASP A 87 61.309 -19.140 1.456 1.00 6.49 O ATOM 29 CB ASP A 87 62.665 -20.801 3.428 1.00 7.25 C ATOM 30 CG ASP A 87 62.831 -19.868 4.629 1.00 7.77 C ATOM 31 OD1 ASP A 87 61.907 -19.785 5.421 1.00 8.12 O ATOM 32 OD2 ASP A 87 63.879 -19.252 4.735 1.00 8.06 O ATOM 0 H ASP A 87 61.719 -22.955 2.757 1.00 6.50 H new ATOM 0 HA ASP A 87 60.549 -20.406 3.796 1.00 6.70 H new ATOM 0 HB2 ASP A 87 63.067 -21.787 3.662 1.00 7.25 H new ATOM 0 HB3 ASP A 87 63.230 -20.420 2.577 1.00 7.25 H new ATOM 37 N ASP A 88 60.238 -20.953 0.834 1.00 5.23 N ATOM 38 CA ASP A 88 59.941 -20.374 -0.508 1.00 5.00 C ATOM 39 C ASP A 88 58.580 -19.674 -0.494 1.00 4.51 C ATOM 40 O ASP A 88 58.484 -18.477 -0.681 1.00 4.82 O ATOM 41 CB ASP A 88 59.923 -21.570 -1.460 1.00 5.14 C ATOM 42 CG ASP A 88 61.358 -21.990 -1.780 1.00 5.52 C ATOM 43 OD1 ASP A 88 62.216 -21.123 -1.812 1.00 5.82 O ATOM 44 OD2 ASP A 88 61.576 -23.172 -1.987 1.00 5.85 O ATOM 0 H ASP A 88 59.881 -21.896 0.989 1.00 5.23 H new ATOM 0 HA ASP A 88 60.676 -19.627 -0.808 1.00 5.00 H new ATOM 0 HB2 ASP A 88 59.382 -22.401 -1.007 1.00 5.14 H new ATOM 0 HB3 ASP A 88 59.396 -21.310 -2.378 1.00 5.14 H new ATOM 49 N SER A 89 57.527 -20.412 -0.276 1.00 4.24 N ATOM 50 CA SER A 89 56.172 -19.791 -0.252 1.00 4.26 C ATOM 51 C SER A 89 56.163 -18.576 0.682 1.00 3.50 C ATOM 52 O SER A 89 56.156 -17.444 0.241 1.00 3.81 O ATOM 53 CB SER A 89 55.246 -20.884 0.280 1.00 5.08 C ATOM 54 OG SER A 89 54.345 -20.319 1.222 1.00 5.76 O ATOM 0 H SER A 89 57.546 -21.419 -0.113 1.00 4.24 H new ATOM 0 HA SER A 89 55.862 -19.437 -1.235 1.00 4.26 H new ATOM 0 HB2 SER A 89 54.693 -21.340 -0.541 1.00 5.08 H new ATOM 0 HB3 SER A 89 55.831 -21.676 0.748 1.00 5.08 H new ATOM 0 HG SER A 89 53.749 -21.017 1.564 1.00 5.76 H new ATOM 60 N LYS A 90 56.161 -18.804 1.966 1.00 3.10 N ATOM 61 CA LYS A 90 56.149 -17.661 2.925 1.00 3.08 C ATOM 62 C LYS A 90 57.530 -17.491 3.565 1.00 2.72 C ATOM 63 O LYS A 90 57.717 -17.748 4.738 1.00 3.21 O ATOM 64 CB LYS A 90 55.112 -18.042 3.981 1.00 3.94 C ATOM 65 CG LYS A 90 53.707 -17.828 3.416 1.00 4.74 C ATOM 66 CD LYS A 90 52.676 -18.443 4.364 1.00 5.61 C ATOM 67 CE LYS A 90 51.909 -17.328 5.078 1.00 6.53 C ATOM 68 NZ LYS A 90 52.279 -17.467 6.514 1.00 7.32 N ATOM 0 H LYS A 90 56.167 -19.730 2.393 1.00 3.10 H new ATOM 0 HA LYS A 90 55.907 -16.716 2.438 1.00 3.08 H new ATOM 0 HB2 LYS A 90 55.243 -19.083 4.275 1.00 3.94 H new ATOM 0 HB3 LYS A 90 55.251 -17.438 4.877 1.00 3.94 H new ATOM 0 HG2 LYS A 90 53.512 -16.763 3.291 1.00 4.74 H new ATOM 0 HG3 LYS A 90 53.627 -18.284 2.429 1.00 4.74 H new ATOM 0 HD2 LYS A 90 51.985 -19.075 3.806 1.00 5.61 H new ATOM 0 HD3 LYS A 90 53.173 -19.082 5.094 1.00 5.61 H new ATOM 0 HE2 LYS A 90 52.187 -16.347 4.692 1.00 6.53 H new ATOM 0 HE3 LYS A 90 50.834 -17.434 4.935 1.00 6.53 H new ATOM 0 HZ1 LYS A 90 51.792 -16.736 7.070 1.00 7.32 H new ATOM 0 HZ2 LYS A 90 51.996 -18.408 6.856 1.00 7.32 H new ATOM 0 HZ3 LYS A 90 53.307 -17.355 6.620 1.00 7.32 H new ATOM 82 N GLY A 91 58.498 -17.058 2.805 1.00 2.57 N ATOM 83 CA GLY A 91 59.864 -16.870 3.371 1.00 2.96 C ATOM 84 C GLY A 91 60.449 -15.552 2.861 1.00 2.68 C ATOM 85 O GLY A 91 60.780 -14.670 3.628 1.00 2.94 O ATOM 0 H GLY A 91 58.402 -16.826 1.816 1.00 2.57 H new ATOM 0 HA2 GLY A 91 59.821 -16.864 4.460 1.00 2.96 H new ATOM 0 HA3 GLY A 91 60.507 -17.702 3.082 1.00 2.96 H new ATOM 89 N LYS A 92 60.575 -15.412 1.569 1.00 2.54 N ATOM 90 CA LYS A 92 61.135 -14.149 1.008 1.00 2.34 C ATOM 91 C LYS A 92 62.530 -13.886 1.581 1.00 2.22 C ATOM 92 O LYS A 92 62.676 -13.406 2.688 1.00 2.57 O ATOM 93 CB LYS A 92 60.159 -13.056 1.442 1.00 2.51 C ATOM 94 CG LYS A 92 59.361 -12.571 0.229 1.00 2.46 C ATOM 95 CD LYS A 92 57.996 -12.054 0.688 1.00 2.69 C ATOM 96 CE LYS A 92 57.972 -10.527 0.597 1.00 2.82 C ATOM 97 NZ LYS A 92 57.895 -10.058 2.009 1.00 3.39 N ATOM 0 H LYS A 92 60.315 -16.116 0.879 1.00 2.54 H new ATOM 0 HA LYS A 92 61.243 -14.191 -0.076 1.00 2.34 H new ATOM 0 HB2 LYS A 92 59.482 -13.440 2.205 1.00 2.51 H new ATOM 0 HB3 LYS A 92 60.704 -12.224 1.888 1.00 2.51 H new ATOM 0 HG2 LYS A 92 59.907 -11.780 -0.286 1.00 2.46 H new ATOM 0 HG3 LYS A 92 59.232 -13.385 -0.484 1.00 2.46 H new ATOM 0 HD2 LYS A 92 57.207 -12.478 0.067 1.00 2.69 H new ATOM 0 HD3 LYS A 92 57.801 -12.371 1.712 1.00 2.69 H new ATOM 0 HE2 LYS A 92 58.866 -10.147 0.103 1.00 2.82 H new ATOM 0 HE3 LYS A 92 57.116 -10.179 0.018 1.00 2.82 H new ATOM 0 HZ1 LYS A 92 57.875 -9.018 2.029 1.00 3.39 H new ATOM 0 HZ2 LYS A 92 57.030 -10.430 2.452 1.00 3.39 H new ATOM 0 HZ3 LYS A 92 58.726 -10.398 2.534 1.00 3.39 H new ATOM 111 N THR A 93 63.556 -14.192 0.835 1.00 1.93 N ATOM 112 CA THR A 93 64.941 -13.957 1.336 1.00 1.88 C ATOM 113 C THR A 93 65.475 -12.626 0.801 1.00 1.62 C ATOM 114 O THR A 93 64.772 -11.884 0.145 1.00 1.47 O ATOM 115 CB THR A 93 65.765 -15.124 0.788 1.00 1.99 C ATOM 116 OG1 THR A 93 65.444 -15.324 -0.581 1.00 2.05 O ATOM 117 CG2 THR A 93 65.447 -16.393 1.580 1.00 2.53 C ATOM 0 H THR A 93 63.496 -14.595 -0.100 1.00 1.93 H new ATOM 0 HA THR A 93 64.984 -13.904 2.424 1.00 1.88 H new ATOM 0 HB THR A 93 66.827 -14.897 0.884 1.00 1.99 H new ATOM 0 HG1 THR A 93 65.972 -16.070 -0.935 1.00 2.05 H new ATOM 0 HG21 THR A 93 66.035 -17.223 1.188 1.00 2.53 H new ATOM 0 HG22 THR A 93 65.693 -16.238 2.630 1.00 2.53 H new ATOM 0 HG23 THR A 93 64.386 -16.624 1.487 1.00 2.53 H new ATOM 125 N GLU A 94 66.714 -12.318 1.076 1.00 1.64 N ATOM 126 CA GLU A 94 67.290 -11.034 0.579 1.00 1.49 C ATOM 127 C GLU A 94 67.208 -10.972 -0.948 1.00 1.41 C ATOM 128 O GLU A 94 67.380 -9.929 -1.547 1.00 1.36 O ATOM 129 CB GLU A 94 68.748 -11.047 1.041 1.00 1.64 C ATOM 130 CG GLU A 94 68.813 -10.712 2.533 1.00 1.85 C ATOM 131 CD GLU A 94 70.251 -10.867 3.030 1.00 2.27 C ATOM 132 OE1 GLU A 94 70.804 -11.941 2.860 1.00 2.65 O ATOM 133 OE2 GLU A 94 70.775 -9.908 3.573 1.00 2.83 O ATOM 0 H GLU A 94 67.351 -12.898 1.622 1.00 1.64 H new ATOM 0 HA GLU A 94 66.752 -10.166 0.959 1.00 1.49 H new ATOM 0 HB2 GLU A 94 69.190 -12.026 0.858 1.00 1.64 H new ATOM 0 HB3 GLU A 94 69.328 -10.323 0.469 1.00 1.64 H new ATOM 0 HG2 GLU A 94 68.466 -9.693 2.703 1.00 1.85 H new ATOM 0 HG3 GLU A 94 68.150 -11.371 3.094 1.00 1.85 H new ATOM 140 N GLU A 95 66.948 -12.083 -1.584 1.00 1.47 N ATOM 141 CA GLU A 95 66.855 -12.088 -3.071 1.00 1.49 C ATOM 142 C GLU A 95 65.610 -11.320 -3.526 1.00 1.39 C ATOM 143 O GLU A 95 65.610 -10.673 -4.554 1.00 1.40 O ATOM 144 CB GLU A 95 66.743 -13.563 -3.455 1.00 1.68 C ATOM 145 CG GLU A 95 67.762 -13.884 -4.550 1.00 2.03 C ATOM 146 CD GLU A 95 67.115 -13.688 -5.922 1.00 2.24 C ATOM 147 OE1 GLU A 95 66.158 -14.387 -6.210 1.00 2.72 O ATOM 148 OE2 GLU A 95 67.588 -12.841 -6.662 1.00 2.56 O ATOM 0 H GLU A 95 66.796 -12.987 -1.137 1.00 1.47 H new ATOM 0 HA GLU A 95 67.714 -11.608 -3.540 1.00 1.49 H new ATOM 0 HB2 GLU A 95 66.921 -14.191 -2.582 1.00 1.68 H new ATOM 0 HB3 GLU A 95 65.735 -13.783 -3.806 1.00 1.68 H new ATOM 0 HG2 GLU A 95 68.634 -13.237 -4.451 1.00 2.03 H new ATOM 0 HG3 GLU A 95 68.113 -14.910 -4.445 1.00 2.03 H new ATOM 155 N GLU A 96 64.549 -11.390 -2.769 1.00 1.38 N ATOM 156 CA GLU A 96 63.305 -10.665 -3.161 1.00 1.34 C ATOM 157 C GLU A 96 63.350 -9.219 -2.658 1.00 1.16 C ATOM 158 O GLU A 96 62.754 -8.332 -3.236 1.00 1.07 O ATOM 159 CB GLU A 96 62.168 -11.432 -2.483 1.00 1.51 C ATOM 160 CG GLU A 96 61.688 -12.556 -3.405 1.00 2.07 C ATOM 161 CD GLU A 96 62.774 -13.628 -3.514 1.00 2.19 C ATOM 162 OE1 GLU A 96 63.234 -14.084 -2.480 1.00 2.61 O ATOM 163 OE2 GLU A 96 63.127 -13.973 -4.629 1.00 2.60 O ATOM 0 H GLU A 96 64.489 -11.917 -1.898 1.00 1.38 H new ATOM 0 HA GLU A 96 63.180 -10.620 -4.243 1.00 1.34 H new ATOM 0 HB2 GLU A 96 62.510 -11.846 -1.535 1.00 1.51 H new ATOM 0 HB3 GLU A 96 61.343 -10.756 -2.257 1.00 1.51 H new ATOM 0 HG2 GLU A 96 60.769 -12.993 -3.015 1.00 2.07 H new ATOM 0 HG3 GLU A 96 61.457 -12.157 -4.392 1.00 2.07 H new ATOM 170 N LEU A 97 64.051 -8.975 -1.585 1.00 1.14 N ATOM 171 CA LEU A 97 64.133 -7.588 -1.046 1.00 0.99 C ATOM 172 C LEU A 97 64.693 -6.639 -2.108 1.00 0.82 C ATOM 173 O LEU A 97 64.333 -5.481 -2.173 1.00 0.70 O ATOM 174 CB LEU A 97 65.088 -7.687 0.145 1.00 1.03 C ATOM 175 CG LEU A 97 64.311 -8.088 1.402 1.00 1.31 C ATOM 176 CD1 LEU A 97 63.541 -6.878 1.935 1.00 1.57 C ATOM 177 CD2 LEU A 97 63.324 -9.211 1.068 1.00 1.71 C ATOM 0 H LEU A 97 64.571 -9.677 -1.058 1.00 1.14 H new ATOM 0 HA LEU A 97 63.158 -7.197 -0.757 1.00 0.99 H new ATOM 0 HB2 LEU A 97 65.867 -8.421 -0.062 1.00 1.03 H new ATOM 0 HB3 LEU A 97 65.586 -6.730 0.304 1.00 1.03 H new ATOM 0 HG LEU A 97 65.013 -8.438 2.159 1.00 1.31 H new ATOM 0 HD11 LEU A 97 62.988 -7.164 2.830 1.00 1.57 H new ATOM 0 HD12 LEU A 97 64.242 -6.080 2.181 1.00 1.57 H new ATOM 0 HD13 LEU A 97 62.844 -6.527 1.174 1.00 1.57 H new ATOM 0 HD21 LEU A 97 62.774 -9.492 1.967 1.00 1.71 H new ATOM 0 HD22 LEU A 97 62.624 -8.866 0.307 1.00 1.71 H new ATOM 0 HD23 LEU A 97 63.871 -10.076 0.692 1.00 1.71 H new ATOM 189 N SER A 98 65.574 -7.121 -2.942 1.00 0.87 N ATOM 190 CA SER A 98 66.158 -6.246 -3.999 1.00 0.78 C ATOM 191 C SER A 98 65.138 -6.013 -5.118 1.00 0.75 C ATOM 192 O SER A 98 65.213 -5.043 -5.846 1.00 0.74 O ATOM 193 CB SER A 98 67.365 -7.019 -4.527 1.00 0.93 C ATOM 194 OG SER A 98 66.918 -8.194 -5.190 1.00 1.41 O ATOM 0 H SER A 98 65.915 -8.082 -2.937 1.00 0.87 H new ATOM 0 HA SER A 98 66.437 -5.264 -3.616 1.00 0.78 H new ATOM 0 HB2 SER A 98 67.938 -6.396 -5.214 1.00 0.93 H new ATOM 0 HB3 SER A 98 68.030 -7.282 -3.705 1.00 0.93 H new ATOM 0 HG SER A 98 66.642 -8.860 -4.526 1.00 1.41 H new ATOM 200 N ASP A 99 64.186 -6.894 -5.261 1.00 0.80 N ATOM 201 CA ASP A 99 63.165 -6.719 -6.334 1.00 0.82 C ATOM 202 C ASP A 99 62.159 -5.635 -5.938 1.00 0.77 C ATOM 203 O ASP A 99 61.740 -4.839 -6.754 1.00 0.77 O ATOM 204 CB ASP A 99 62.473 -8.078 -6.448 1.00 0.93 C ATOM 205 CG ASP A 99 63.274 -8.979 -7.392 1.00 1.45 C ATOM 206 OD1 ASP A 99 63.396 -8.628 -8.553 1.00 1.92 O ATOM 207 OD2 ASP A 99 63.753 -10.003 -6.935 1.00 2.18 O ATOM 0 H ASP A 99 64.071 -7.726 -4.683 1.00 0.80 H new ATOM 0 HA ASP A 99 63.610 -6.407 -7.279 1.00 0.82 H new ATOM 0 HB2 ASP A 99 62.394 -8.542 -5.465 1.00 0.93 H new ATOM 0 HB3 ASP A 99 61.457 -7.951 -6.823 1.00 0.93 H new ATOM 212 N LEU A 100 61.769 -5.594 -4.694 1.00 0.77 N ATOM 213 CA LEU A 100 60.794 -4.555 -4.258 1.00 0.77 C ATOM 214 C LEU A 100 61.326 -3.161 -4.599 1.00 0.64 C ATOM 215 O LEU A 100 60.636 -2.348 -5.181 1.00 0.64 O ATOM 216 CB LEU A 100 60.675 -4.728 -2.743 1.00 0.85 C ATOM 217 CG LEU A 100 59.198 -4.719 -2.343 1.00 1.16 C ATOM 218 CD1 LEU A 100 58.912 -5.903 -1.417 1.00 1.54 C ATOM 219 CD2 LEU A 100 58.876 -3.414 -1.612 1.00 1.57 C ATOM 0 H LEU A 100 62.082 -6.233 -3.963 1.00 0.77 H new ATOM 0 HA LEU A 100 59.829 -4.660 -4.754 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.140 -5.664 -2.436 1.00 0.85 H new ATOM 0 HB3 LEU A 100 61.206 -3.925 -2.232 1.00 0.85 H new ATOM 0 HG LEU A 100 58.580 -4.799 -3.237 1.00 1.16 H new ATOM 0 HD11 LEU A 100 57.860 -5.896 -1.132 1.00 1.54 H new ATOM 0 HD12 LEU A 100 59.142 -6.834 -1.935 1.00 1.54 H new ATOM 0 HD13 LEU A 100 59.530 -5.823 -0.523 1.00 1.54 H new ATOM 0 HD21 LEU A 100 57.824 -3.407 -1.327 1.00 1.57 H new ATOM 0 HD22 LEU A 100 59.495 -3.335 -0.718 1.00 1.57 H new ATOM 0 HD23 LEU A 100 59.079 -2.569 -2.270 1.00 1.57 H new ATOM 231 N PHE A 101 62.550 -2.879 -4.244 1.00 0.60 N ATOM 232 CA PHE A 101 63.126 -1.538 -4.549 1.00 0.53 C ATOM 233 C PHE A 101 63.113 -1.288 -6.059 1.00 0.49 C ATOM 234 O PHE A 101 62.667 -0.257 -6.523 1.00 0.61 O ATOM 235 CB PHE A 101 64.562 -1.596 -4.026 1.00 0.57 C ATOM 236 CG PHE A 101 65.191 -0.228 -4.126 1.00 0.46 C ATOM 237 CD1 PHE A 101 65.605 0.263 -5.369 1.00 1.31 C ATOM 238 CD2 PHE A 101 65.359 0.550 -2.974 1.00 1.23 C ATOM 239 CE1 PHE A 101 66.188 1.533 -5.461 1.00 1.30 C ATOM 240 CE2 PHE A 101 65.942 1.819 -3.067 1.00 1.23 C ATOM 241 CZ PHE A 101 66.356 2.311 -4.311 1.00 0.40 C ATOM 0 H PHE A 101 63.176 -3.519 -3.756 1.00 0.60 H new ATOM 0 HA PHE A 101 62.558 -0.729 -4.089 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.569 -1.936 -2.991 1.00 0.57 H new ATOM 0 HB3 PHE A 101 65.141 -2.317 -4.603 1.00 0.57 H new ATOM 0 HD1 PHE A 101 65.475 -0.337 -6.257 1.00 1.31 H new ATOM 0 HD2 PHE A 101 65.039 0.171 -2.015 1.00 1.23 H new ATOM 0 HE1 PHE A 101 66.508 1.912 -6.420 1.00 1.30 H new ATOM 0 HE2 PHE A 101 66.073 2.419 -2.179 1.00 1.23 H new ATOM 0 HZ PHE A 101 66.805 3.291 -4.382 1.00 0.40 H new ATOM 251 N ARG A 102 63.598 -2.221 -6.832 1.00 0.53 N ATOM 252 CA ARG A 102 63.612 -2.033 -8.311 1.00 0.70 C ATOM 253 C ARG A 102 62.217 -2.284 -8.890 1.00 0.80 C ATOM 254 O ARG A 102 61.989 -2.130 -10.073 1.00 1.09 O ATOM 255 CB ARG A 102 64.604 -3.071 -8.834 1.00 0.87 C ATOM 256 CG ARG A 102 65.088 -2.658 -10.225 1.00 1.28 C ATOM 257 CD ARG A 102 66.617 -2.624 -10.244 1.00 1.83 C ATOM 258 NE ARG A 102 66.976 -2.260 -11.643 1.00 2.26 N ATOM 259 CZ ARG A 102 66.603 -1.110 -12.133 1.00 2.89 C ATOM 260 NH1 ARG A 102 67.066 -0.002 -11.623 1.00 3.68 N ATOM 261 NH2 ARG A 102 65.767 -1.068 -13.135 1.00 3.22 N ATOM 0 H ARG A 102 63.985 -3.106 -6.503 1.00 0.53 H new ATOM 0 HA ARG A 102 63.896 -1.020 -8.595 1.00 0.70 H new ATOM 0 HB2 ARG A 102 65.451 -3.156 -8.153 1.00 0.87 H new ATOM 0 HB3 ARG A 102 64.131 -4.052 -8.878 1.00 0.87 H new ATOM 0 HG2 ARG A 102 64.720 -3.360 -10.973 1.00 1.28 H new ATOM 0 HG3 ARG A 102 64.689 -1.678 -10.484 1.00 1.28 H new ATOM 0 HD2 ARG A 102 67.005 -1.893 -9.534 1.00 1.83 H new ATOM 0 HD3 ARG A 102 67.037 -3.591 -9.967 1.00 1.83 H new ATOM 0 HE ARG A 102 67.513 -2.909 -12.218 1.00 2.26 H new ATOM 0 HH11 ARG A 102 67.720 -0.035 -10.841 1.00 3.68 H new ATOM 0 HH12 ARG A 102 66.774 0.897 -12.006 1.00 3.68 H new ATOM 0 HH21 ARG A 102 65.406 -1.934 -13.534 1.00 3.22 H new ATOM 0 HH22 ARG A 102 65.475 -0.169 -13.518 1.00 3.22 H new ATOM 275 N MET A 103 61.283 -2.671 -8.065 1.00 0.68 N ATOM 276 CA MET A 103 59.905 -2.933 -8.571 1.00 0.81 C ATOM 277 C MET A 103 58.932 -1.880 -8.031 1.00 0.79 C ATOM 278 O MET A 103 57.771 -1.854 -8.391 1.00 0.90 O ATOM 279 CB MET A 103 59.540 -4.319 -8.039 1.00 0.91 C ATOM 280 CG MET A 103 58.079 -4.624 -8.372 1.00 1.35 C ATOM 281 SD MET A 103 57.791 -6.406 -8.252 1.00 1.92 S ATOM 282 CE MET A 103 57.576 -6.479 -6.456 1.00 1.63 C ATOM 0 H MET A 103 61.414 -2.817 -7.064 1.00 0.68 H new ATOM 0 HA MET A 103 59.852 -2.887 -9.659 1.00 0.81 H new ATOM 0 HB2 MET A 103 60.190 -5.073 -8.482 1.00 0.91 H new ATOM 0 HB3 MET A 103 59.694 -4.359 -6.961 1.00 0.91 H new ATOM 0 HG2 MET A 103 57.420 -4.092 -7.686 1.00 1.35 H new ATOM 0 HG3 MET A 103 57.843 -4.274 -9.377 1.00 1.35 H new ATOM 0 HE1 MET A 103 57.383 -7.508 -6.154 1.00 1.63 H new ATOM 0 HE2 MET A 103 58.482 -6.121 -5.966 1.00 1.63 H new ATOM 0 HE3 MET A 103 56.734 -5.852 -6.165 1.00 1.63 H new ATOM 292 N PHE A 104 59.393 -1.014 -7.171 1.00 0.71 N ATOM 293 CA PHE A 104 58.488 0.032 -6.611 1.00 0.75 C ATOM 294 C PHE A 104 59.074 1.427 -6.845 1.00 0.68 C ATOM 295 O PHE A 104 58.605 2.405 -6.295 1.00 0.80 O ATOM 296 CB PHE A 104 58.407 -0.269 -5.114 1.00 0.76 C ATOM 297 CG PHE A 104 57.213 -1.152 -4.846 1.00 1.03 C ATOM 298 CD1 PHE A 104 55.933 -0.592 -4.754 1.00 1.71 C ATOM 299 CD2 PHE A 104 57.386 -2.533 -4.693 1.00 1.67 C ATOM 300 CE1 PHE A 104 54.826 -1.413 -4.508 1.00 2.03 C ATOM 301 CE2 PHE A 104 56.278 -3.354 -4.448 1.00 1.90 C ATOM 302 CZ PHE A 104 54.999 -2.793 -4.354 1.00 1.76 C ATOM 0 H PHE A 104 60.355 -0.984 -6.832 1.00 0.71 H new ATOM 0 HA PHE A 104 57.506 0.018 -7.084 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.320 -0.762 -4.781 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.321 0.659 -4.549 1.00 0.76 H new ATOM 0 HD1 PHE A 104 55.800 0.473 -4.873 1.00 1.71 H new ATOM 0 HD2 PHE A 104 58.373 -2.965 -4.764 1.00 1.67 H new ATOM 0 HE1 PHE A 104 53.839 -0.981 -4.437 1.00 2.03 H new ATOM 0 HE2 PHE A 104 56.410 -4.420 -4.332 1.00 1.90 H new ATOM 0 HZ PHE A 104 54.145 -3.426 -4.162 1.00 1.76 H new ATOM 312 N ASP A 105 60.091 1.530 -7.656 1.00 0.58 N ATOM 313 CA ASP A 105 60.699 2.865 -7.920 1.00 0.52 C ATOM 314 C ASP A 105 59.795 3.683 -8.847 1.00 0.52 C ATOM 315 O ASP A 105 60.025 3.767 -10.037 1.00 0.60 O ATOM 316 CB ASP A 105 62.037 2.567 -8.601 1.00 0.60 C ATOM 317 CG ASP A 105 62.953 3.789 -8.488 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.510 4.788 -7.947 1.00 0.48 O ATOM 319 OD2 ASP A 105 64.082 3.704 -8.946 1.00 0.54 O ATOM 0 H ASP A 105 60.527 0.749 -8.147 1.00 0.58 H new ATOM 0 HA ASP A 105 60.829 3.447 -7.007 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.509 1.702 -8.136 1.00 0.60 H new ATOM 0 HB3 ASP A 105 61.875 2.316 -9.649 1.00 0.60 H new ATOM 324 N LYS A 106 58.770 4.291 -8.312 1.00 0.51 N ATOM 325 CA LYS A 106 57.859 5.103 -9.169 1.00 0.60 C ATOM 326 C LYS A 106 58.674 6.085 -10.010 1.00 0.59 C ATOM 327 O LYS A 106 58.456 6.233 -11.196 1.00 0.70 O ATOM 328 CB LYS A 106 56.956 5.860 -8.195 1.00 0.63 C ATOM 329 CG LYS A 106 55.951 6.700 -8.986 1.00 1.39 C ATOM 330 CD LYS A 106 56.021 8.157 -8.524 1.00 1.58 C ATOM 331 CE LYS A 106 54.887 8.953 -9.176 1.00 2.00 C ATOM 332 NZ LYS A 106 55.213 10.382 -8.906 1.00 2.79 N ATOM 0 H LYS A 106 58.525 4.261 -7.322 1.00 0.51 H new ATOM 0 HA LYS A 106 57.283 4.485 -9.858 1.00 0.60 H new ATOM 0 HB2 LYS A 106 56.431 5.158 -7.548 1.00 0.63 H new ATOM 0 HB3 LYS A 106 57.555 6.502 -7.549 1.00 0.63 H new ATOM 0 HG2 LYS A 106 56.168 6.636 -10.052 1.00 1.39 H new ATOM 0 HG3 LYS A 106 54.943 6.310 -8.842 1.00 1.39 H new ATOM 0 HD2 LYS A 106 55.940 8.210 -7.438 1.00 1.58 H new ATOM 0 HD3 LYS A 106 56.985 8.589 -8.793 1.00 1.58 H new ATOM 0 HE2 LYS A 106 54.832 8.756 -10.247 1.00 2.00 H new ATOM 0 HE3 LYS A 106 53.920 8.682 -8.752 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 54.480 10.990 -9.323 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 55.252 10.541 -7.879 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 56.135 10.613 -9.327 1.00 2.79 H new ATOM 346 N ASN A 107 59.619 6.753 -9.406 1.00 0.53 N ATOM 347 CA ASN A 107 60.450 7.721 -10.176 1.00 0.59 C ATOM 348 C ASN A 107 61.482 6.963 -11.016 1.00 0.60 C ATOM 349 O ASN A 107 61.988 7.464 -12.000 1.00 0.71 O ATOM 350 CB ASN A 107 61.137 8.584 -9.120 1.00 0.62 C ATOM 351 CG ASN A 107 62.195 9.464 -9.787 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.324 9.513 -9.346 1.00 1.50 O ATOM 353 ND2 ASN A 107 61.874 10.165 -10.841 1.00 1.67 N ATOM 0 H ASN A 107 59.851 6.671 -8.416 1.00 0.53 H new ATOM 0 HA ASN A 107 59.859 8.326 -10.864 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.402 9.206 -8.609 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.600 7.951 -8.363 1.00 0.62 H new ATOM 0 HD21 ASN A 107 62.573 10.754 -11.294 1.00 1.67 H new ATOM 0 HD22 ASN A 107 60.925 10.123 -11.211 1.00 1.67 H new ATOM 360 N ALA A 108 61.791 5.754 -10.632 1.00 0.56 N ATOM 361 CA ALA A 108 62.782 4.950 -11.405 1.00 0.62 C ATOM 362 C ALA A 108 64.042 5.774 -11.689 1.00 0.64 C ATOM 363 O ALA A 108 64.324 6.123 -12.819 1.00 0.78 O ATOM 364 CB ALA A 108 62.071 4.595 -12.710 1.00 0.72 C ATOM 0 H ALA A 108 61.399 5.287 -9.814 1.00 0.56 H new ATOM 0 HA ALA A 108 63.104 4.064 -10.858 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.736 4.001 -13.337 1.00 0.72 H new ATOM 0 HB2 ALA A 108 61.171 4.020 -12.490 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.798 5.510 -13.236 1.00 0.72 H new ATOM 370 N ASP A 109 64.806 6.080 -10.677 1.00 0.57 N ATOM 371 CA ASP A 109 66.052 6.871 -10.897 1.00 0.63 C ATOM 372 C ASP A 109 67.209 6.270 -10.090 1.00 0.63 C ATOM 373 O ASP A 109 68.306 6.794 -10.074 1.00 0.76 O ATOM 374 CB ASP A 109 65.720 8.292 -10.418 1.00 0.62 C ATOM 375 CG ASP A 109 65.899 8.396 -8.899 1.00 0.70 C ATOM 376 OD1 ASP A 109 67.021 8.599 -8.469 1.00 1.20 O ATOM 377 OD2 ASP A 109 64.912 8.267 -8.195 1.00 0.75 O ATOM 0 H ASP A 109 64.623 5.818 -9.708 1.00 0.57 H new ATOM 0 HA ASP A 109 66.366 6.868 -11.941 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.368 9.012 -10.918 1.00 0.62 H new ATOM 0 HB3 ASP A 109 64.695 8.544 -10.688 1.00 0.62 H new ATOM 382 N GLY A 110 66.971 5.176 -9.418 1.00 0.58 N ATOM 383 CA GLY A 110 68.054 4.545 -8.612 1.00 0.62 C ATOM 384 C GLY A 110 67.743 4.723 -7.127 1.00 0.54 C ATOM 385 O GLY A 110 68.166 3.945 -6.295 1.00 0.57 O ATOM 0 H GLY A 110 66.073 4.692 -9.393 1.00 0.58 H new ATOM 0 HA2 GLY A 110 68.134 3.485 -8.855 1.00 0.62 H new ATOM 0 HA3 GLY A 110 69.015 5.000 -8.852 1.00 0.62 H new ATOM 389 N TYR A 111 67.004 5.743 -6.790 1.00 0.50 N ATOM 390 CA TYR A 111 66.660 5.977 -5.360 1.00 0.48 C ATOM 391 C TYR A 111 65.167 6.286 -5.224 1.00 0.42 C ATOM 392 O TYR A 111 64.508 6.640 -6.182 1.00 0.52 O ATOM 393 CB TYR A 111 67.501 7.183 -4.946 1.00 0.52 C ATOM 394 CG TYR A 111 68.959 6.893 -5.208 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.451 6.901 -6.520 1.00 1.36 C ATOM 396 CD2 TYR A 111 69.820 6.617 -4.140 1.00 1.38 C ATOM 397 CE1 TYR A 111 70.803 6.631 -6.761 1.00 1.40 C ATOM 398 CE2 TYR A 111 71.172 6.348 -4.382 1.00 1.46 C ATOM 399 CZ TYR A 111 71.664 6.355 -5.693 1.00 0.83 C ATOM 400 OH TYR A 111 72.998 6.090 -5.930 1.00 0.97 O ATOM 0 H TYR A 111 66.623 6.426 -7.445 1.00 0.50 H new ATOM 0 HA TYR A 111 66.862 5.108 -4.734 1.00 0.48 H new ATOM 0 HB2 TYR A 111 67.189 8.066 -5.503 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.347 7.402 -3.889 1.00 0.52 H new ATOM 0 HD1 TYR A 111 68.787 7.115 -7.345 1.00 1.36 H new ATOM 0 HD2 TYR A 111 69.441 6.612 -3.129 1.00 1.38 H new ATOM 0 HE1 TYR A 111 71.182 6.636 -7.772 1.00 1.40 H new ATOM 0 HE2 TYR A 111 71.836 6.135 -3.557 1.00 1.46 H new ATOM 0 HH TYR A 111 73.454 5.921 -5.079 1.00 0.97 H new ATOM 410 N ILE A 112 64.629 6.156 -4.043 1.00 0.36 N ATOM 411 CA ILE A 112 63.179 6.443 -3.853 1.00 0.32 C ATOM 412 C ILE A 112 62.982 7.461 -2.732 1.00 0.35 C ATOM 413 O ILE A 112 63.654 7.429 -1.721 1.00 0.43 O ATOM 414 CB ILE A 112 62.557 5.108 -3.484 1.00 0.32 C ATOM 415 CG1 ILE A 112 63.022 4.074 -4.517 1.00 0.40 C ATOM 416 CG2 ILE A 112 61.028 5.252 -3.502 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.911 3.069 -4.814 1.00 0.46 C ATOM 0 H ILE A 112 65.129 5.864 -3.203 1.00 0.36 H new ATOM 0 HA ILE A 112 62.722 6.869 -4.746 1.00 0.32 H new ATOM 0 HB ILE A 112 62.860 4.787 -2.487 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.317 4.579 -5.437 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.902 3.551 -4.144 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.570 4.299 -3.238 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.726 6.012 -2.781 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.702 5.548 -4.499 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.262 2.345 -5.549 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.635 2.550 -3.896 1.00 0.46 H new ATOM 0 HD13 ILE A 112 61.041 3.594 -5.209 1.00 0.46 H new ATOM 429 N ASP A 113 62.063 8.363 -2.906 1.00 0.36 N ATOM 430 CA ASP A 113 61.818 9.389 -1.849 1.00 0.44 C ATOM 431 C ASP A 113 60.473 9.133 -1.163 1.00 0.44 C ATOM 432 O ASP A 113 59.880 8.086 -1.316 1.00 0.60 O ATOM 433 CB ASP A 113 61.804 10.729 -2.587 1.00 0.56 C ATOM 434 CG ASP A 113 60.931 10.619 -3.837 1.00 0.94 C ATOM 435 OD1 ASP A 113 59.736 10.426 -3.686 1.00 1.58 O ATOM 436 OD2 ASP A 113 61.472 10.731 -4.925 1.00 1.53 O ATOM 0 H ASP A 113 61.469 8.438 -3.732 1.00 0.36 H new ATOM 0 HA ASP A 113 62.579 9.366 -1.069 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.421 11.512 -1.932 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.819 11.013 -2.864 1.00 0.56 H new ATOM 441 N LEU A 114 59.991 10.079 -0.403 1.00 0.47 N ATOM 442 CA LEU A 114 58.685 9.884 0.297 1.00 0.47 C ATOM 443 C LEU A 114 57.535 9.871 -0.711 1.00 0.50 C ATOM 444 O LEU A 114 56.624 9.074 -0.617 1.00 0.52 O ATOM 445 CB LEU A 114 58.558 11.084 1.241 1.00 0.57 C ATOM 446 CG LEU A 114 58.461 10.597 2.689 1.00 0.68 C ATOM 447 CD1 LEU A 114 57.075 10.000 2.938 1.00 1.36 C ATOM 448 CD2 LEU A 114 59.529 9.529 2.943 1.00 1.57 C ATOM 0 H LEU A 114 60.443 10.978 -0.236 1.00 0.47 H new ATOM 0 HA LEU A 114 58.644 8.936 0.833 1.00 0.47 H new ATOM 0 HB2 LEU A 114 59.420 11.742 1.126 1.00 0.57 H new ATOM 0 HB3 LEU A 114 57.674 11.668 0.984 1.00 0.57 H new ATOM 0 HG LEU A 114 58.620 11.438 3.364 1.00 0.68 H new ATOM 0 HD11 LEU A 114 57.008 9.654 3.969 1.00 1.36 H new ATOM 0 HD12 LEU A 114 56.314 10.760 2.760 1.00 1.36 H new ATOM 0 HD13 LEU A 114 56.914 9.160 2.262 1.00 1.36 H new ATOM 0 HD21 LEU A 114 59.459 9.183 3.974 1.00 1.57 H new ATOM 0 HD22 LEU A 114 59.371 8.689 2.267 1.00 1.57 H new ATOM 0 HD23 LEU A 114 60.517 9.954 2.769 1.00 1.57 H new ATOM 460 N GLU A 115 57.569 10.748 -1.674 1.00 0.56 N ATOM 461 CA GLU A 115 56.476 10.782 -2.685 1.00 0.64 C ATOM 462 C GLU A 115 56.413 9.453 -3.441 1.00 0.56 C ATOM 463 O GLU A 115 55.392 9.087 -3.991 1.00 0.61 O ATOM 464 CB GLU A 115 56.857 11.920 -3.632 1.00 0.77 C ATOM 465 CG GLU A 115 55.599 12.681 -4.052 1.00 1.54 C ATOM 466 CD GLU A 115 55.855 14.186 -3.949 1.00 2.04 C ATOM 467 OE1 GLU A 115 56.652 14.686 -4.726 1.00 2.45 O ATOM 468 OE2 GLU A 115 55.250 14.813 -3.095 1.00 2.67 O ATOM 0 H GLU A 115 58.305 11.442 -1.805 1.00 0.56 H new ATOM 0 HA GLU A 115 55.496 10.935 -2.233 1.00 0.64 H new ATOM 0 HB2 GLU A 115 57.556 12.597 -3.141 1.00 0.77 H new ATOM 0 HB3 GLU A 115 57.363 11.521 -4.511 1.00 0.77 H new ATOM 0 HG2 GLU A 115 55.325 12.417 -5.074 1.00 1.54 H new ATOM 0 HG3 GLU A 115 54.761 12.399 -3.415 1.00 1.54 H new ATOM 475 N GLU A 116 57.497 8.728 -3.474 1.00 0.49 N ATOM 476 CA GLU A 116 57.500 7.423 -4.196 1.00 0.45 C ATOM 477 C GLU A 116 57.041 6.294 -3.271 1.00 0.43 C ATOM 478 O GLU A 116 56.197 5.493 -3.623 1.00 0.51 O ATOM 479 CB GLU A 116 58.950 7.209 -4.625 1.00 0.42 C ATOM 480 CG GLU A 116 59.306 8.206 -5.728 1.00 0.94 C ATOM 481 CD GLU A 116 60.756 7.991 -6.163 1.00 0.85 C ATOM 482 OE1 GLU A 116 61.182 6.848 -6.184 1.00 1.28 O ATOM 483 OE2 GLU A 116 61.414 8.971 -6.467 1.00 1.43 O ATOM 0 H GLU A 116 58.381 8.982 -3.033 1.00 0.49 H new ATOM 0 HA GLU A 116 56.818 7.426 -5.047 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.616 7.340 -3.772 1.00 0.42 H new ATOM 0 HB3 GLU A 116 59.088 6.189 -4.983 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.637 8.077 -6.579 1.00 0.94 H new ATOM 0 HG3 GLU A 116 59.171 9.226 -5.368 1.00 0.94 H new ATOM 490 N LEU A 117 57.594 6.221 -2.091 1.00 0.37 N ATOM 491 CA LEU A 117 57.195 5.143 -1.145 1.00 0.42 C ATOM 492 C LEU A 117 55.692 5.215 -0.886 1.00 0.50 C ATOM 493 O LEU A 117 55.014 4.209 -0.814 1.00 0.58 O ATOM 494 CB LEU A 117 57.978 5.431 0.135 1.00 0.43 C ATOM 495 CG LEU A 117 57.413 4.587 1.279 1.00 0.61 C ATOM 496 CD1 LEU A 117 58.562 3.967 2.074 1.00 0.90 C ATOM 497 CD2 LEU A 117 56.579 5.478 2.202 1.00 1.53 C ATOM 0 H LEU A 117 58.306 6.863 -1.742 1.00 0.37 H new ATOM 0 HA LEU A 117 57.407 4.146 -1.531 1.00 0.42 H new ATOM 0 HB2 LEU A 117 59.034 5.203 -0.013 1.00 0.43 H new ATOM 0 HB3 LEU A 117 57.913 6.490 0.384 1.00 0.43 H new ATOM 0 HG LEU A 117 56.786 3.794 0.870 1.00 0.61 H new ATOM 0 HD11 LEU A 117 58.158 3.366 2.889 1.00 0.90 H new ATOM 0 HD12 LEU A 117 59.159 3.334 1.417 1.00 0.90 H new ATOM 0 HD13 LEU A 117 59.190 4.758 2.484 1.00 0.90 H new ATOM 0 HD21 LEU A 117 56.175 4.879 3.018 1.00 1.53 H new ATOM 0 HD22 LEU A 117 57.208 6.270 2.609 1.00 1.53 H new ATOM 0 HD23 LEU A 117 55.759 5.921 1.637 1.00 1.53 H new ATOM 509 N LYS A 118 55.164 6.400 -0.753 1.00 0.52 N ATOM 510 CA LYS A 118 53.704 6.535 -0.508 1.00 0.63 C ATOM 511 C LYS A 118 52.934 5.736 -1.560 1.00 0.71 C ATOM 512 O LYS A 118 51.912 5.143 -1.281 1.00 0.83 O ATOM 513 CB LYS A 118 53.411 8.029 -0.639 1.00 0.68 C ATOM 514 CG LYS A 118 52.778 8.540 0.658 1.00 1.05 C ATOM 515 CD LYS A 118 52.592 10.056 0.576 1.00 1.33 C ATOM 516 CE LYS A 118 53.778 10.754 1.247 1.00 1.49 C ATOM 517 NZ LYS A 118 54.007 11.983 0.438 1.00 1.82 N ATOM 0 H LYS A 118 55.680 7.278 -0.803 1.00 0.52 H new ATOM 0 HA LYS A 118 53.405 6.156 0.469 1.00 0.63 H new ATOM 0 HB2 LYS A 118 54.332 8.574 -0.846 1.00 0.68 H new ATOM 0 HB3 LYS A 118 52.739 8.207 -1.479 1.00 0.68 H new ATOM 0 HG2 LYS A 118 51.816 8.054 0.821 1.00 1.05 H new ATOM 0 HG3 LYS A 118 53.411 8.287 1.508 1.00 1.05 H new ATOM 0 HD2 LYS A 118 52.515 10.368 -0.466 1.00 1.33 H new ATOM 0 HD3 LYS A 118 51.662 10.346 1.065 1.00 1.33 H new ATOM 0 HE2 LYS A 118 53.556 11.000 2.285 1.00 1.49 H new ATOM 0 HE3 LYS A 118 54.661 10.115 1.253 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 54.806 12.517 0.836 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 54.223 11.717 -0.544 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 53.152 12.575 0.456 1.00 1.82 H new ATOM 531 N ILE A 119 53.428 5.707 -2.768 1.00 0.72 N ATOM 532 CA ILE A 119 52.736 4.936 -3.838 1.00 0.84 C ATOM 533 C ILE A 119 52.913 3.437 -3.583 1.00 0.86 C ATOM 534 O ILE A 119 52.018 2.649 -3.814 1.00 0.96 O ATOM 535 CB ILE A 119 53.423 5.360 -5.136 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.845 6.700 -5.590 1.00 1.00 C ATOM 537 CG2 ILE A 119 53.182 4.307 -6.222 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.741 7.301 -6.671 1.00 1.08 C ATOM 0 H ILE A 119 54.281 6.184 -3.059 1.00 0.72 H new ATOM 0 HA ILE A 119 51.664 5.128 -3.875 1.00 0.84 H new ATOM 0 HB ILE A 119 54.495 5.456 -4.965 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.835 6.561 -5.976 1.00 1.00 H new ATOM 0 HG13 ILE A 119 52.771 7.382 -4.743 1.00 1.00 H new ATOM 0 HG21 ILE A 119 53.674 4.616 -7.144 1.00 1.06 H new ATOM 0 HG22 ILE A 119 53.588 3.349 -5.897 1.00 1.06 H new ATOM 0 HG23 ILE A 119 52.111 4.205 -6.399 1.00 1.06 H new ATOM 0 HD11 ILE A 119 53.329 8.257 -6.995 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.743 7.455 -6.269 1.00 1.08 H new ATOM 0 HD13 ILE A 119 53.792 6.621 -7.521 1.00 1.08 H new ATOM 550 N MET A 120 54.059 3.041 -3.098 1.00 0.82 N ATOM 551 CA MET A 120 54.289 1.596 -2.818 1.00 0.92 C ATOM 552 C MET A 120 53.187 1.069 -1.897 1.00 0.92 C ATOM 553 O MET A 120 52.673 -0.016 -2.083 1.00 1.01 O ATOM 554 CB MET A 120 55.648 1.536 -2.121 1.00 0.96 C ATOM 555 CG MET A 120 55.841 0.154 -1.496 1.00 1.50 C ATOM 556 SD MET A 120 57.604 -0.137 -1.204 1.00 2.13 S ATOM 557 CE MET A 120 57.456 -0.746 0.492 1.00 2.73 C ATOM 0 H MET A 120 54.845 3.655 -2.884 1.00 0.82 H new ATOM 0 HA MET A 120 54.274 0.987 -3.722 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.445 1.737 -2.837 1.00 0.96 H new ATOM 0 HB3 MET A 120 55.708 2.306 -1.352 1.00 0.96 H new ATOM 0 HG2 MET A 120 55.290 0.088 -0.558 1.00 1.50 H new ATOM 0 HG3 MET A 120 55.439 -0.615 -2.156 1.00 1.50 H new ATOM 0 HE1 MET A 120 58.351 -0.479 1.054 1.00 2.73 H new ATOM 0 HE2 MET A 120 56.583 -0.296 0.965 1.00 2.73 H new ATOM 0 HE3 MET A 120 57.344 -1.830 0.481 1.00 2.73 H new ATOM 567 N LEU A 121 52.809 1.838 -0.911 1.00 0.88 N ATOM 568 CA LEU A 121 51.728 1.386 0.009 1.00 0.96 C ATOM 569 C LEU A 121 50.380 1.530 -0.691 1.00 0.99 C ATOM 570 O LEU A 121 49.456 0.782 -0.447 1.00 1.12 O ATOM 571 CB LEU A 121 51.793 2.321 1.211 1.00 0.98 C ATOM 572 CG LEU A 121 53.228 2.388 1.740 1.00 1.19 C ATOM 573 CD1 LEU A 121 53.362 3.571 2.700 1.00 1.51 C ATOM 574 CD2 LEU A 121 53.556 1.091 2.484 1.00 1.81 C ATOM 0 H LEU A 121 53.201 2.757 -0.704 1.00 0.88 H new ATOM 0 HA LEU A 121 51.847 0.344 0.306 1.00 0.96 H new ATOM 0 HB2 LEU A 121 51.454 3.317 0.927 1.00 0.98 H new ATOM 0 HB3 LEU A 121 51.123 1.967 1.995 1.00 0.98 H new ATOM 0 HG LEU A 121 53.918 2.516 0.906 1.00 1.19 H new ATOM 0 HD11 LEU A 121 54.383 3.620 3.077 1.00 1.51 H new ATOM 0 HD12 LEU A 121 53.125 4.496 2.173 1.00 1.51 H new ATOM 0 HD13 LEU A 121 52.673 3.442 3.535 1.00 1.51 H new ATOM 0 HD21 LEU A 121 54.578 1.136 2.862 1.00 1.81 H new ATOM 0 HD22 LEU A 121 52.866 0.966 3.318 1.00 1.81 H new ATOM 0 HD23 LEU A 121 53.458 0.246 1.802 1.00 1.81 H new ATOM 586 N GLN A 122 50.264 2.486 -1.573 1.00 0.95 N ATOM 587 CA GLN A 122 48.981 2.665 -2.300 1.00 1.05 C ATOM 588 C GLN A 122 48.722 1.423 -3.145 1.00 1.12 C ATOM 589 O GLN A 122 47.596 1.071 -3.432 1.00 1.24 O ATOM 590 CB GLN A 122 49.190 3.894 -3.185 1.00 1.07 C ATOM 591 CG GLN A 122 48.407 5.074 -2.607 1.00 1.49 C ATOM 592 CD GLN A 122 48.972 6.384 -3.162 1.00 1.51 C ATOM 593 OE1 GLN A 122 48.965 7.396 -2.489 1.00 2.24 O ATOM 594 NE2 GLN A 122 49.463 6.408 -4.371 1.00 1.52 N ATOM 0 H GLN A 122 51.001 3.147 -1.819 1.00 0.95 H new ATOM 0 HA GLN A 122 48.126 2.800 -1.637 1.00 1.05 H new ATOM 0 HB2 GLN A 122 50.251 4.139 -3.241 1.00 1.07 H new ATOM 0 HB3 GLN A 122 48.857 3.685 -4.202 1.00 1.07 H new ATOM 0 HG2 GLN A 122 47.351 4.984 -2.863 1.00 1.49 H new ATOM 0 HG3 GLN A 122 48.473 5.070 -1.519 1.00 1.49 H new ATOM 0 HE21 GLN A 122 49.469 5.559 -4.936 1.00 1.52 H new ATOM 0 HE22 GLN A 122 49.841 7.276 -4.751 1.00 1.52 H new ATOM 603 N ALA A 123 49.770 0.744 -3.528 1.00 1.11 N ATOM 604 CA ALA A 123 49.600 -0.493 -4.335 1.00 1.26 C ATOM 605 C ALA A 123 48.997 -1.586 -3.454 1.00 1.39 C ATOM 606 O ALA A 123 48.341 -2.492 -3.928 1.00 1.55 O ATOM 607 CB ALA A 123 51.011 -0.877 -4.782 1.00 1.31 C ATOM 0 H ALA A 123 50.736 0.995 -3.316 1.00 1.11 H new ATOM 0 HA ALA A 123 48.937 -0.354 -5.189 1.00 1.26 H new ATOM 0 HB1 ALA A 123 50.967 -1.784 -5.385 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.438 -0.068 -5.375 1.00 1.31 H new ATOM 0 HB3 ALA A 123 51.635 -1.053 -3.906 1.00 1.31 H new ATOM 613 N THR A 124 49.207 -1.499 -2.165 1.00 1.38 N ATOM 614 CA THR A 124 48.635 -2.529 -1.251 1.00 1.59 C ATOM 615 C THR A 124 47.397 -1.968 -0.543 1.00 1.77 C ATOM 616 O THR A 124 46.707 -2.669 0.170 1.00 2.03 O ATOM 617 CB THR A 124 49.748 -2.844 -0.245 1.00 1.65 C ATOM 618 OG1 THR A 124 49.395 -4.003 0.497 1.00 2.26 O ATOM 619 CG2 THR A 124 49.948 -1.665 0.713 1.00 1.97 C ATOM 0 H THR A 124 49.747 -0.763 -1.710 1.00 1.38 H new ATOM 0 HA THR A 124 48.317 -3.426 -1.783 1.00 1.59 H new ATOM 0 HB THR A 124 50.678 -3.019 -0.786 1.00 1.65 H new ATOM 0 HG1 THR A 124 48.421 -4.045 0.595 1.00 2.26 H new ATOM 0 HG21 THR A 124 50.741 -1.903 1.422 1.00 1.97 H new ATOM 0 HG22 THR A 124 50.224 -0.777 0.144 1.00 1.97 H new ATOM 0 HG23 THR A 124 49.022 -1.476 1.255 1.00 1.97 H new ATOM 627 N GLY A 125 47.111 -0.708 -0.737 1.00 1.74 N ATOM 628 CA GLY A 125 45.919 -0.102 -0.079 1.00 2.07 C ATOM 629 C GLY A 125 46.161 0.008 1.427 1.00 1.64 C ATOM 630 O GLY A 125 47.104 0.634 1.871 1.00 2.16 O ATOM 0 H GLY A 125 47.652 -0.073 -1.323 1.00 1.74 H new ATOM 0 HA2 GLY A 125 45.723 0.885 -0.498 1.00 2.07 H new ATOM 0 HA3 GLY A 125 45.036 -0.712 -0.272 1.00 2.07 H new ATOM 634 N GLU A 126 45.312 -0.593 2.218 1.00 1.68 N ATOM 635 CA GLU A 126 45.479 -0.529 3.702 1.00 1.94 C ATOM 636 C GLU A 126 45.151 0.876 4.227 1.00 1.76 C ATOM 637 O GLU A 126 45.205 1.126 5.415 1.00 2.42 O ATOM 638 CB GLU A 126 46.948 -0.873 3.966 1.00 2.83 C ATOM 639 CG GLU A 126 47.030 -2.110 4.863 1.00 3.43 C ATOM 640 CD GLU A 126 47.734 -1.746 6.171 1.00 4.44 C ATOM 641 OE1 GLU A 126 47.058 -1.286 7.076 1.00 5.02 O ATOM 642 OE2 GLU A 126 48.938 -1.932 6.245 1.00 4.97 O ATOM 0 H GLU A 126 44.505 -1.129 1.899 1.00 1.68 H new ATOM 0 HA GLU A 126 44.805 -1.218 4.211 1.00 1.94 H new ATOM 0 HB2 GLU A 126 47.464 -1.059 3.024 1.00 2.83 H new ATOM 0 HB3 GLU A 126 47.450 -0.031 4.443 1.00 2.83 H new ATOM 0 HG2 GLU A 126 46.029 -2.489 5.070 1.00 3.43 H new ATOM 0 HG3 GLU A 126 47.574 -2.906 4.354 1.00 3.43 H new ATOM 649 N THR A 127 44.804 1.789 3.354 1.00 1.67 N ATOM 650 CA THR A 127 44.469 3.175 3.805 1.00 1.97 C ATOM 651 C THR A 127 45.401 3.615 4.938 1.00 1.60 C ATOM 652 O THR A 127 45.000 3.718 6.080 1.00 1.70 O ATOM 653 CB THR A 127 43.024 3.090 4.301 1.00 2.78 C ATOM 654 OG1 THR A 127 42.832 1.861 4.986 1.00 3.37 O ATOM 655 CG2 THR A 127 42.069 3.168 3.108 1.00 3.72 C ATOM 0 H THR A 127 44.738 1.634 2.348 1.00 1.67 H new ATOM 0 HA THR A 127 44.587 3.905 3.004 1.00 1.97 H new ATOM 0 HB THR A 127 42.822 3.919 4.980 1.00 2.78 H new ATOM 0 HG1 THR A 127 43.521 1.760 5.676 1.00 3.37 H new ATOM 0 HG21 THR A 127 41.040 3.107 3.461 1.00 3.72 H new ATOM 0 HG22 THR A 127 42.218 4.112 2.584 1.00 3.72 H new ATOM 0 HG23 THR A 127 42.268 2.340 2.428 1.00 3.72 H new ATOM 663 N ILE A 128 46.644 3.874 4.632 1.00 1.39 N ATOM 664 CA ILE A 128 47.598 4.304 5.695 1.00 1.35 C ATOM 665 C ILE A 128 47.570 5.827 5.851 1.00 1.27 C ATOM 666 O ILE A 128 47.185 6.547 4.951 1.00 1.39 O ATOM 667 CB ILE A 128 48.969 3.840 5.206 1.00 1.59 C ATOM 668 CG1 ILE A 128 49.048 2.314 5.284 1.00 2.00 C ATOM 669 CG2 ILE A 128 50.058 4.451 6.091 1.00 2.58 C ATOM 670 CD1 ILE A 128 50.496 1.865 5.084 1.00 2.44 C ATOM 0 H ILE A 128 47.039 3.807 3.694 1.00 1.39 H new ATOM 0 HA ILE A 128 47.347 3.883 6.669 1.00 1.35 H new ATOM 0 HB ILE A 128 49.115 4.160 4.174 1.00 1.59 H new ATOM 0 HG12 ILE A 128 48.680 1.970 6.250 1.00 2.00 H new ATOM 0 HG13 ILE A 128 48.409 1.867 4.522 1.00 2.00 H new ATOM 0 HG21 ILE A 128 51.037 4.121 5.743 1.00 2.58 H new ATOM 0 HG22 ILE A 128 50.002 5.538 6.039 1.00 2.58 H new ATOM 0 HG23 ILE A 128 49.912 4.130 7.122 1.00 2.58 H new ATOM 0 HD11 ILE A 128 50.551 0.778 5.140 1.00 2.44 H new ATOM 0 HD12 ILE A 128 50.848 2.196 4.107 1.00 2.44 H new ATOM 0 HD13 ILE A 128 51.123 2.300 5.862 1.00 2.44 H new ATOM 682 N THR A 129 47.978 6.322 6.988 1.00 1.18 N ATOM 683 CA THR A 129 47.977 7.798 7.204 1.00 1.21 C ATOM 684 C THR A 129 49.407 8.341 7.139 1.00 1.10 C ATOM 685 O THR A 129 50.365 7.593 7.112 1.00 1.04 O ATOM 686 CB THR A 129 47.390 7.996 8.604 1.00 1.37 C ATOM 687 OG1 THR A 129 47.356 6.751 9.287 1.00 1.63 O ATOM 688 CG2 THR A 129 45.972 8.557 8.491 1.00 1.63 C ATOM 0 H THR A 129 48.312 5.768 7.777 1.00 1.18 H new ATOM 0 HA THR A 129 47.401 8.326 6.444 1.00 1.21 H new ATOM 0 HB THR A 129 48.013 8.697 9.160 1.00 1.37 H new ATOM 0 HG1 THR A 129 47.722 6.863 10.189 1.00 1.63 H new ATOM 0 HG21 THR A 129 45.556 8.697 9.489 1.00 1.63 H new ATOM 0 HG22 THR A 129 46.000 9.515 7.971 1.00 1.63 H new ATOM 0 HG23 THR A 129 45.348 7.859 7.932 1.00 1.63 H new ATOM 696 N GLU A 130 49.561 9.636 7.112 1.00 1.13 N ATOM 697 CA GLU A 130 50.930 10.225 7.047 1.00 1.09 C ATOM 698 C GLU A 130 51.720 9.870 8.310 1.00 1.03 C ATOM 699 O GLU A 130 52.914 10.085 8.388 1.00 0.98 O ATOM 700 CB GLU A 130 50.710 11.736 6.959 1.00 1.23 C ATOM 701 CG GLU A 130 51.193 12.243 5.599 1.00 1.68 C ATOM 702 CD GLU A 130 51.318 13.768 5.637 1.00 2.20 C ATOM 703 OE1 GLU A 130 50.525 14.391 6.324 1.00 2.66 O ATOM 704 OE2 GLU A 130 52.205 14.286 4.977 1.00 2.77 O ATOM 0 H GLU A 130 48.798 10.313 7.132 1.00 1.13 H new ATOM 0 HA GLU A 130 51.501 9.847 6.199 1.00 1.09 H new ATOM 0 HB2 GLU A 130 49.653 11.969 7.092 1.00 1.23 H new ATOM 0 HB3 GLU A 130 51.250 12.240 7.760 1.00 1.23 H new ATOM 0 HG2 GLU A 130 52.156 11.795 5.353 1.00 1.68 H new ATOM 0 HG3 GLU A 130 50.493 11.944 4.818 1.00 1.68 H new ATOM 711 N ASP A 131 51.064 9.331 9.301 1.00 1.08 N ATOM 712 CA ASP A 131 51.778 8.964 10.557 1.00 1.10 C ATOM 713 C ASP A 131 52.390 7.567 10.432 1.00 0.95 C ATOM 714 O ASP A 131 53.374 7.250 11.071 1.00 0.88 O ATOM 715 CB ASP A 131 50.701 8.982 11.642 1.00 1.27 C ATOM 716 CG ASP A 131 49.704 7.850 11.387 1.00 1.65 C ATOM 717 OD1 ASP A 131 50.123 6.704 11.401 1.00 2.09 O ATOM 718 OD2 ASP A 131 48.540 8.149 11.181 1.00 2.28 O ATOM 0 H ASP A 131 50.064 9.129 9.295 1.00 1.08 H new ATOM 0 HA ASP A 131 52.596 9.648 10.781 1.00 1.10 H new ATOM 0 HB2 ASP A 131 51.157 8.865 12.625 1.00 1.27 H new ATOM 0 HB3 ASP A 131 50.185 9.942 11.642 1.00 1.27 H new ATOM 723 N ASP A 132 51.815 6.727 9.615 1.00 0.96 N ATOM 724 CA ASP A 132 52.366 5.350 9.453 1.00 0.88 C ATOM 725 C ASP A 132 53.386 5.317 8.311 1.00 0.76 C ATOM 726 O ASP A 132 54.058 4.329 8.096 1.00 0.72 O ATOM 727 CB ASP A 132 51.156 4.475 9.120 1.00 0.99 C ATOM 728 CG ASP A 132 50.554 3.923 10.413 1.00 1.31 C ATOM 729 OD1 ASP A 132 50.965 4.367 11.473 1.00 1.70 O ATOM 730 OD2 ASP A 132 49.691 3.066 10.322 1.00 1.95 O ATOM 0 H ASP A 132 50.989 6.934 9.053 1.00 0.96 H new ATOM 0 HA ASP A 132 52.884 5.005 10.348 1.00 0.88 H new ATOM 0 HB2 ASP A 132 50.410 5.058 8.579 1.00 0.99 H new ATOM 0 HB3 ASP A 132 51.455 3.655 8.467 1.00 0.99 H new ATOM 735 N ILE A 133 53.506 6.391 7.579 1.00 0.78 N ATOM 736 CA ILE A 133 54.483 6.420 6.454 1.00 0.73 C ATOM 737 C ILE A 133 55.668 7.324 6.807 1.00 0.66 C ATOM 738 O ILE A 133 56.811 6.985 6.571 1.00 0.63 O ATOM 739 CB ILE A 133 53.706 6.991 5.268 1.00 0.84 C ATOM 740 CG1 ILE A 133 52.572 6.032 4.894 1.00 0.91 C ATOM 741 CG2 ILE A 133 54.648 7.156 4.073 1.00 1.14 C ATOM 742 CD1 ILE A 133 51.840 6.561 3.659 1.00 0.96 C ATOM 0 H ILE A 133 52.970 7.249 7.711 1.00 0.78 H new ATOM 0 HA ILE A 133 54.891 5.433 6.235 1.00 0.73 H new ATOM 0 HB ILE A 133 53.289 7.961 5.539 1.00 0.84 H new ATOM 0 HG12 ILE A 133 52.973 5.039 4.694 1.00 0.91 H new ATOM 0 HG13 ILE A 133 51.876 5.933 5.727 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.094 7.563 3.227 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.457 7.836 4.339 1.00 1.14 H new ATOM 0 HG23 ILE A 133 55.064 6.186 3.801 1.00 1.14 H new ATOM 0 HD11 ILE A 133 51.033 5.878 3.394 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.425 7.545 3.876 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.539 6.637 2.826 1.00 0.96 H new ATOM 754 N GLU A 134 55.405 8.471 7.371 1.00 0.73 N ATOM 755 CA GLU A 134 56.518 9.391 7.739 1.00 0.77 C ATOM 756 C GLU A 134 57.427 8.729 8.777 1.00 0.70 C ATOM 757 O GLU A 134 58.617 8.974 8.822 1.00 0.68 O ATOM 758 CB GLU A 134 55.834 10.624 8.330 1.00 0.96 C ATOM 759 CG GLU A 134 55.135 11.405 7.214 1.00 0.95 C ATOM 760 CD GLU A 134 54.772 12.803 7.717 1.00 1.60 C ATOM 761 OE1 GLU A 134 55.235 13.167 8.785 1.00 2.27 O ATOM 762 OE2 GLU A 134 54.037 13.487 7.024 1.00 2.07 O ATOM 0 H GLU A 134 54.469 8.810 7.593 1.00 0.73 H new ATOM 0 HA GLU A 134 57.145 9.645 6.885 1.00 0.77 H new ATOM 0 HB2 GLU A 134 55.109 10.323 9.087 1.00 0.96 H new ATOM 0 HB3 GLU A 134 56.569 11.258 8.826 1.00 0.96 H new ATOM 0 HG2 GLU A 134 55.787 11.478 6.344 1.00 0.95 H new ATOM 0 HG3 GLU A 134 54.236 10.877 6.895 1.00 0.95 H new ATOM 769 N GLU A 135 56.877 7.889 9.611 1.00 0.74 N ATOM 770 CA GLU A 135 57.710 7.209 10.644 1.00 0.76 C ATOM 771 C GLU A 135 58.420 5.998 10.034 1.00 0.66 C ATOM 772 O GLU A 135 59.428 5.540 10.534 1.00 0.74 O ATOM 773 CB GLU A 135 56.720 6.764 11.721 1.00 0.88 C ATOM 774 CG GLU A 135 57.300 7.067 13.104 1.00 1.20 C ATOM 775 CD GLU A 135 57.886 5.788 13.702 1.00 1.48 C ATOM 776 OE1 GLU A 135 57.137 5.045 14.314 1.00 2.16 O ATOM 777 OE2 GLU A 135 59.076 5.572 13.538 1.00 1.95 O ATOM 0 H GLU A 135 55.887 7.644 9.622 1.00 0.74 H new ATOM 0 HA GLU A 135 58.484 7.862 11.047 1.00 0.76 H new ATOM 0 HB2 GLU A 135 55.769 7.282 11.592 1.00 0.88 H new ATOM 0 HB3 GLU A 135 56.518 5.697 11.626 1.00 0.88 H new ATOM 0 HG2 GLU A 135 58.072 7.832 13.027 1.00 1.20 H new ATOM 0 HG3 GLU A 135 56.523 7.464 13.757 1.00 1.20 H new ATOM 784 N LEU A 136 57.902 5.480 8.955 1.00 0.62 N ATOM 785 CA LEU A 136 58.547 4.300 8.311 1.00 0.66 C ATOM 786 C LEU A 136 59.869 4.715 7.661 1.00 0.61 C ATOM 787 O LEU A 136 60.937 4.374 8.131 1.00 0.70 O ATOM 788 CB LEU A 136 57.548 3.837 7.248 1.00 0.77 C ATOM 789 CG LEU A 136 56.724 2.667 7.790 1.00 0.86 C ATOM 790 CD1 LEU A 136 57.595 1.411 7.846 1.00 1.63 C ATOM 791 CD2 LEU A 136 56.224 3.000 9.197 1.00 1.38 C ATOM 0 H LEU A 136 57.060 5.822 8.491 1.00 0.62 H new ATOM 0 HA LEU A 136 58.777 3.510 9.026 1.00 0.66 H new ATOM 0 HB2 LEU A 136 56.890 4.660 6.971 1.00 0.77 H new ATOM 0 HB3 LEU A 136 58.078 3.534 6.345 1.00 0.77 H new ATOM 0 HG LEU A 136 55.872 2.491 7.133 1.00 0.86 H new ATOM 0 HD11 LEU A 136 57.008 0.578 8.232 1.00 1.63 H new ATOM 0 HD12 LEU A 136 57.951 1.170 6.844 1.00 1.63 H new ATOM 0 HD13 LEU A 136 58.448 1.588 8.501 1.00 1.63 H new ATOM 0 HD21 LEU A 136 55.637 2.166 9.582 1.00 1.38 H new ATOM 0 HD22 LEU A 136 57.076 3.178 9.853 1.00 1.38 H new ATOM 0 HD23 LEU A 136 55.602 3.894 9.160 1.00 1.38 H new ATOM 803 N MET A 137 59.808 5.455 6.587 1.00 0.55 N ATOM 804 CA MET A 137 61.062 5.893 5.914 1.00 0.59 C ATOM 805 C MET A 137 62.043 6.461 6.945 1.00 0.65 C ATOM 806 O MET A 137 63.244 6.402 6.773 1.00 0.81 O ATOM 807 CB MET A 137 60.623 6.983 4.935 1.00 0.60 C ATOM 808 CG MET A 137 60.574 6.409 3.518 1.00 0.96 C ATOM 809 SD MET A 137 61.709 7.334 2.454 1.00 1.23 S ATOM 810 CE MET A 137 61.271 6.521 0.898 1.00 1.35 C ATOM 0 H MET A 137 58.945 5.774 6.148 1.00 0.55 H new ATOM 0 HA MET A 137 61.571 5.072 5.410 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.642 7.366 5.217 1.00 0.60 H new ATOM 0 HB3 MET A 137 61.317 7.823 4.975 1.00 0.60 H new ATOM 0 HG2 MET A 137 60.849 5.354 3.531 1.00 0.96 H new ATOM 0 HG3 MET A 137 59.559 6.469 3.125 1.00 0.96 H new ATOM 0 HE1 MET A 137 62.055 6.698 0.162 1.00 1.35 H new ATOM 0 HE2 MET A 137 61.165 5.449 1.065 1.00 1.35 H new ATOM 0 HE3 MET A 137 60.329 6.926 0.529 1.00 1.35 H new ATOM 820 N LYS A 138 61.539 7.010 8.015 1.00 0.62 N ATOM 821 CA LYS A 138 62.440 7.581 9.056 1.00 0.79 C ATOM 822 C LYS A 138 63.612 6.632 9.322 1.00 0.86 C ATOM 823 O LYS A 138 64.732 6.887 8.925 1.00 1.16 O ATOM 824 CB LYS A 138 61.566 7.719 10.304 1.00 0.87 C ATOM 825 CG LYS A 138 62.370 8.395 11.417 1.00 1.55 C ATOM 826 CD LYS A 138 62.980 7.327 12.327 1.00 2.07 C ATOM 827 CE LYS A 138 62.744 7.707 13.792 1.00 2.85 C ATOM 828 NZ LYS A 138 63.960 7.243 14.522 1.00 3.36 N ATOM 0 H LYS A 138 60.542 7.088 8.214 1.00 0.62 H new ATOM 0 HA LYS A 138 62.869 8.536 8.752 1.00 0.79 H new ATOM 0 HB2 LYS A 138 60.677 8.306 10.075 1.00 0.87 H new ATOM 0 HB3 LYS A 138 61.224 6.737 10.632 1.00 0.87 H new ATOM 0 HG2 LYS A 138 63.157 9.014 10.987 1.00 1.55 H new ATOM 0 HG3 LYS A 138 61.725 9.056 11.996 1.00 1.55 H new ATOM 0 HD2 LYS A 138 62.533 6.356 12.116 1.00 2.07 H new ATOM 0 HD3 LYS A 138 64.048 7.235 12.132 1.00 2.07 H new ATOM 0 HE2 LYS A 138 62.606 8.783 13.902 1.00 2.85 H new ATOM 0 HE3 LYS A 138 61.845 7.229 14.182 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 63.867 7.471 15.532 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 64.062 6.214 14.407 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 64.800 7.720 14.136 1.00 3.36 H new ATOM 842 N ASP A 139 63.364 5.540 9.993 1.00 0.71 N ATOM 843 CA ASP A 139 64.465 4.576 10.283 1.00 0.85 C ATOM 844 C ASP A 139 65.014 3.996 8.979 1.00 0.85 C ATOM 845 O ASP A 139 66.170 3.631 8.888 1.00 1.02 O ATOM 846 CB ASP A 139 63.816 3.479 11.128 1.00 0.97 C ATOM 847 CG ASP A 139 64.265 3.622 12.583 1.00 1.50 C ATOM 848 OD1 ASP A 139 65.342 4.152 12.801 1.00 2.33 O ATOM 849 OD2 ASP A 139 63.523 3.199 13.455 1.00 1.80 O ATOM 0 H ASP A 139 62.448 5.273 10.353 1.00 0.71 H new ATOM 0 HA ASP A 139 65.303 5.046 10.799 1.00 0.85 H new ATOM 0 HB2 ASP A 139 62.730 3.550 11.063 1.00 0.97 H new ATOM 0 HB3 ASP A 139 64.095 2.497 10.745 1.00 0.97 H new ATOM 854 N GLY A 140 64.195 3.907 7.968 1.00 0.81 N ATOM 855 CA GLY A 140 64.670 3.349 6.670 1.00 0.86 C ATOM 856 C GLY A 140 65.816 4.208 6.134 1.00 0.77 C ATOM 857 O GLY A 140 66.628 3.757 5.351 1.00 0.86 O ATOM 0 H GLY A 140 63.217 4.196 7.984 1.00 0.81 H new ATOM 0 HA2 GLY A 140 65.005 2.320 6.805 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.851 3.326 5.951 1.00 0.86 H new ATOM 861 N ASP A 141 65.888 5.443 6.547 1.00 0.70 N ATOM 862 CA ASP A 141 66.983 6.329 6.057 1.00 0.66 C ATOM 863 C ASP A 141 68.173 6.281 7.019 1.00 0.74 C ATOM 864 O ASP A 141 68.340 7.140 7.860 1.00 0.87 O ATOM 865 CB ASP A 141 66.375 7.732 6.022 1.00 0.66 C ATOM 866 CG ASP A 141 66.764 8.420 4.711 1.00 0.76 C ATOM 867 OD1 ASP A 141 67.557 7.851 3.979 1.00 0.92 O ATOM 868 OD2 ASP A 141 66.261 9.502 4.462 1.00 0.83 O ATOM 0 H ASP A 141 65.237 5.877 7.202 1.00 0.70 H new ATOM 0 HA ASP A 141 67.354 6.023 5.079 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.290 7.673 6.107 1.00 0.66 H new ATOM 0 HB3 ASP A 141 66.730 8.316 6.871 1.00 0.66 H new ATOM 873 N LYS A 142 69.004 5.282 6.896 1.00 0.75 N ATOM 874 CA LYS A 142 70.187 5.176 7.798 1.00 0.87 C ATOM 875 C LYS A 142 71.047 6.433 7.684 1.00 0.89 C ATOM 876 O LYS A 142 71.840 6.741 8.552 1.00 1.05 O ATOM 877 CB LYS A 142 70.953 3.956 7.293 1.00 0.89 C ATOM 878 CG LYS A 142 71.633 4.289 5.964 1.00 1.24 C ATOM 879 CD LYS A 142 72.501 3.108 5.528 1.00 1.26 C ATOM 880 CE LYS A 142 73.379 2.659 6.699 1.00 1.55 C ATOM 881 NZ LYS A 142 74.568 2.021 6.067 1.00 1.99 N ATOM 0 H LYS A 142 68.915 4.533 6.209 1.00 0.75 H new ATOM 0 HA LYS A 142 69.905 5.078 8.846 1.00 0.87 H new ATOM 0 HB2 LYS A 142 71.698 3.653 8.028 1.00 0.89 H new ATOM 0 HB3 LYS A 142 70.272 3.115 7.164 1.00 0.89 H new ATOM 0 HG2 LYS A 142 70.883 4.504 5.203 1.00 1.24 H new ATOM 0 HG3 LYS A 142 72.245 5.185 6.070 1.00 1.24 H new ATOM 0 HD2 LYS A 142 71.871 2.283 5.195 1.00 1.26 H new ATOM 0 HD3 LYS A 142 73.125 3.395 4.681 1.00 1.26 H new ATOM 0 HE2 LYS A 142 73.669 3.505 7.322 1.00 1.55 H new ATOM 0 HE3 LYS A 142 72.850 1.956 7.343 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 75.217 1.687 6.807 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 74.262 1.215 5.486 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 75.056 2.715 5.466 1.00 1.99 H new ATOM 895 N ASN A 143 70.891 7.163 6.618 1.00 0.85 N ATOM 896 CA ASN A 143 71.690 8.407 6.437 1.00 1.05 C ATOM 897 C ASN A 143 70.758 9.618 6.446 1.00 1.07 C ATOM 898 O ASN A 143 71.183 10.747 6.584 1.00 1.56 O ATOM 899 CB ASN A 143 72.360 8.256 5.071 1.00 1.08 C ATOM 900 CG ASN A 143 71.312 8.413 3.970 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.130 8.266 4.214 1.00 0.98 O ATOM 902 ND2 ASN A 143 71.695 8.708 2.758 1.00 1.48 N ATOM 0 H ASN A 143 70.242 6.952 5.860 1.00 0.85 H new ATOM 0 HA ASN A 143 72.423 8.553 7.230 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.142 9.006 4.953 1.00 1.08 H new ATOM 0 HB3 ASN A 143 72.840 7.280 4.995 1.00 1.08 H new ATOM 0 HD21 ASN A 143 71.003 8.815 2.016 1.00 1.48 H new ATOM 0 HD22 ASN A 143 72.686 8.832 2.552 1.00 1.48 H new ATOM 909 N ASN A 144 69.484 9.383 6.299 1.00 0.78 N ATOM 910 CA ASN A 144 68.509 10.506 6.298 1.00 0.82 C ATOM 911 C ASN A 144 68.870 11.523 5.210 1.00 0.82 C ATOM 912 O ASN A 144 69.379 12.591 5.487 1.00 0.92 O ATOM 913 CB ASN A 144 68.625 11.138 7.686 1.00 0.95 C ATOM 914 CG ASN A 144 68.464 10.055 8.754 1.00 1.47 C ATOM 915 OD1 ASN A 144 69.427 9.645 9.371 1.00 2.28 O ATOM 916 ND2 ASN A 144 67.277 9.571 9.001 1.00 1.93 N ATOM 0 H ASN A 144 69.075 8.456 6.179 1.00 0.78 H new ATOM 0 HA ASN A 144 67.494 10.168 6.090 1.00 0.82 H new ATOM 0 HB2 ASN A 144 69.592 11.629 7.794 1.00 0.95 H new ATOM 0 HB3 ASN A 144 67.861 11.905 7.813 1.00 0.95 H new ATOM 0 HD21 ASN A 144 67.158 8.849 9.712 1.00 1.93 H new ATOM 0 HD22 ASN A 144 66.468 9.915 8.483 1.00 1.93 H new ATOM 923 N ASP A 145 68.606 11.199 3.974 1.00 0.75 N ATOM 924 CA ASP A 145 68.930 12.145 2.868 1.00 0.78 C ATOM 925 C ASP A 145 67.666 12.468 2.065 1.00 0.74 C ATOM 926 O ASP A 145 67.685 13.273 1.155 1.00 0.81 O ATOM 927 CB ASP A 145 69.944 11.404 1.995 1.00 0.76 C ATOM 928 CG ASP A 145 69.233 10.301 1.209 1.00 1.12 C ATOM 929 OD1 ASP A 145 68.183 9.866 1.656 1.00 1.72 O ATOM 930 OD2 ASP A 145 69.748 9.910 0.175 1.00 1.85 O ATOM 0 H ASP A 145 68.180 10.320 3.682 1.00 0.75 H new ATOM 0 HA ASP A 145 69.326 13.092 3.236 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.427 12.100 1.309 1.00 0.76 H new ATOM 0 HB3 ASP A 145 70.729 10.974 2.617 1.00 0.76 H new ATOM 935 N GLY A 146 66.568 11.844 2.394 1.00 0.69 N ATOM 936 CA GLY A 146 65.304 12.112 1.652 1.00 0.70 C ATOM 937 C GLY A 146 64.996 10.936 0.722 1.00 0.58 C ATOM 938 O GLY A 146 63.865 10.510 0.598 1.00 0.62 O ATOM 0 H GLY A 146 66.492 11.159 3.146 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.483 12.259 2.353 1.00 0.70 H new ATOM 0 HA3 GLY A 146 65.398 13.031 1.074 1.00 0.70 H new ATOM 942 N ARG A 147 65.995 10.410 0.065 1.00 0.54 N ATOM 943 CA ARG A 147 65.760 9.262 -0.860 1.00 0.49 C ATOM 944 C ARG A 147 66.297 7.964 -0.244 1.00 0.44 C ATOM 945 O ARG A 147 66.853 7.962 0.836 1.00 0.56 O ATOM 946 CB ARG A 147 66.537 9.611 -2.130 1.00 0.57 C ATOM 947 CG ARG A 147 65.619 10.347 -3.108 1.00 0.78 C ATOM 948 CD ARG A 147 66.419 11.415 -3.859 1.00 0.73 C ATOM 949 NE ARG A 147 66.193 11.121 -5.301 1.00 1.07 N ATOM 950 CZ ARG A 147 66.338 12.064 -6.192 1.00 1.60 C ATOM 951 NH1 ARG A 147 65.565 13.116 -6.162 1.00 2.22 N ATOM 952 NH2 ARG A 147 67.253 11.955 -7.116 1.00 2.32 N ATOM 0 H ARG A 147 66.963 10.725 0.128 1.00 0.54 H new ATOM 0 HA ARG A 147 64.700 9.104 -1.059 1.00 0.49 H new ATOM 0 HB2 ARG A 147 67.396 10.234 -1.883 1.00 0.57 H new ATOM 0 HB3 ARG A 147 66.924 8.703 -2.592 1.00 0.57 H new ATOM 0 HG2 ARG A 147 65.183 9.641 -3.815 1.00 0.78 H new ATOM 0 HG3 ARG A 147 64.792 10.810 -2.569 1.00 0.78 H new ATOM 0 HD2 ARG A 147 66.077 12.418 -3.602 1.00 0.73 H new ATOM 0 HD3 ARG A 147 67.478 11.365 -3.607 1.00 0.73 H new ATOM 0 HE ARG A 147 65.924 10.181 -5.593 1.00 1.07 H new ATOM 0 HH11 ARG A 147 64.847 13.201 -5.442 1.00 2.22 H new ATOM 0 HH12 ARG A 147 65.679 13.853 -6.858 1.00 2.22 H new ATOM 0 HH21 ARG A 147 67.856 11.132 -7.142 1.00 2.32 H new ATOM 0 HH22 ARG A 147 67.366 12.692 -7.812 1.00 2.32 H new ATOM 966 N ILE A 148 66.136 6.862 -0.926 1.00 0.35 N ATOM 967 CA ILE A 148 66.639 5.565 -0.384 1.00 0.36 C ATOM 968 C ILE A 148 67.262 4.729 -1.508 1.00 0.40 C ATOM 969 O ILE A 148 66.746 4.663 -2.606 1.00 0.41 O ATOM 970 CB ILE A 148 65.396 4.874 0.196 1.00 0.35 C ATOM 971 CG1 ILE A 148 65.157 5.379 1.621 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.598 3.355 0.225 1.00 0.43 C ATOM 973 CD1 ILE A 148 63.996 4.609 2.252 1.00 0.40 C ATOM 0 H ILE A 148 65.678 6.803 -1.835 1.00 0.35 H new ATOM 0 HA ILE A 148 67.415 5.698 0.370 1.00 0.36 H new ATOM 0 HB ILE A 148 64.535 5.106 -0.431 1.00 0.35 H new ATOM 0 HG12 ILE A 148 66.059 5.250 2.219 1.00 0.40 H new ATOM 0 HG13 ILE A 148 64.934 6.446 1.607 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.710 2.878 0.638 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.767 2.991 -0.788 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.461 3.115 0.846 1.00 0.43 H new ATOM 0 HD11 ILE A 148 63.828 4.971 3.266 1.00 0.40 H new ATOM 0 HD12 ILE A 148 63.094 4.760 1.659 1.00 0.40 H new ATOM 0 HD13 ILE A 148 64.237 3.546 2.281 1.00 0.40 H new ATOM 985 N ASP A 149 68.364 4.085 -1.239 1.00 0.47 N ATOM 986 CA ASP A 149 69.013 3.249 -2.291 1.00 0.55 C ATOM 987 C ASP A 149 68.940 1.772 -1.897 1.00 0.58 C ATOM 988 O ASP A 149 68.296 1.409 -0.933 1.00 0.54 O ATOM 989 CB ASP A 149 70.468 3.723 -2.355 1.00 0.65 C ATOM 990 CG ASP A 149 71.005 3.957 -0.942 1.00 1.32 C ATOM 991 OD1 ASP A 149 71.515 3.015 -0.359 1.00 2.16 O ATOM 992 OD2 ASP A 149 70.898 5.077 -0.468 1.00 2.00 O ATOM 0 H ASP A 149 68.843 4.101 -0.339 1.00 0.47 H new ATOM 0 HA ASP A 149 68.522 3.349 -3.259 1.00 0.55 H new ATOM 0 HB2 ASP A 149 71.079 2.979 -2.867 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.534 4.644 -2.935 1.00 0.65 H new ATOM 997 N TYR A 150 69.588 0.913 -2.636 1.00 0.67 N ATOM 998 CA TYR A 150 69.543 -0.539 -2.298 1.00 0.73 C ATOM 999 C TYR A 150 70.201 -0.792 -0.939 1.00 0.75 C ATOM 1000 O TYR A 150 70.045 -1.843 -0.349 1.00 0.76 O ATOM 1001 CB TYR A 150 70.326 -1.235 -3.410 1.00 0.84 C ATOM 1002 CG TYR A 150 70.241 -2.729 -3.217 1.00 0.97 C ATOM 1003 CD1 TYR A 150 69.021 -3.319 -2.865 1.00 1.63 C ATOM 1004 CD2 TYR A 150 71.380 -3.526 -3.388 1.00 1.74 C ATOM 1005 CE1 TYR A 150 68.939 -4.704 -2.684 1.00 2.06 C ATOM 1006 CE2 TYR A 150 71.298 -4.912 -3.207 1.00 2.14 C ATOM 1007 CZ TYR A 150 70.077 -5.501 -2.855 1.00 2.02 C ATOM 1008 OH TYR A 150 69.996 -6.867 -2.676 1.00 2.63 O ATOM 0 H TYR A 150 70.145 1.152 -3.456 1.00 0.67 H new ATOM 0 HA TYR A 150 68.520 -0.910 -2.228 1.00 0.73 H new ATOM 0 HB2 TYR A 150 69.922 -0.959 -4.384 1.00 0.84 H new ATOM 0 HB3 TYR A 150 71.367 -0.913 -3.394 1.00 0.84 H new ATOM 0 HD1 TYR A 150 68.143 -2.705 -2.733 1.00 1.63 H new ATOM 0 HD2 TYR A 150 72.321 -3.072 -3.659 1.00 1.74 H new ATOM 0 HE1 TYR A 150 67.998 -5.158 -2.412 1.00 2.06 H new ATOM 0 HE2 TYR A 150 72.176 -5.527 -3.339 1.00 2.14 H new ATOM 0 HH TYR A 150 70.875 -7.270 -2.834 1.00 2.63 H new ATOM 1018 N ASP A 151 70.933 0.164 -0.435 1.00 0.78 N ATOM 1019 CA ASP A 151 71.597 -0.026 0.889 1.00 0.82 C ATOM 1020 C ASP A 151 70.645 0.381 2.016 1.00 0.74 C ATOM 1021 O ASP A 151 70.370 -0.387 2.916 1.00 0.76 O ATOM 1022 CB ASP A 151 72.816 0.897 0.856 1.00 0.87 C ATOM 1023 CG ASP A 151 74.090 0.067 1.030 1.00 1.31 C ATOM 1024 OD1 ASP A 151 74.512 -0.544 0.063 1.00 2.08 O ATOM 1025 OD2 ASP A 151 74.621 0.058 2.128 1.00 1.67 O ATOM 0 H ASP A 151 71.100 1.066 -0.880 1.00 0.78 H new ATOM 0 HA ASP A 151 71.878 -1.064 1.068 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.849 1.440 -0.089 1.00 0.87 H new ATOM 0 HB3 ASP A 151 72.743 1.642 1.649 1.00 0.87 H new ATOM 1030 N GLU A 152 70.137 1.582 1.971 1.00 0.67 N ATOM 1031 CA GLU A 152 69.201 2.036 3.038 1.00 0.61 C ATOM 1032 C GLU A 152 67.924 1.191 3.014 1.00 0.58 C ATOM 1033 O GLU A 152 67.249 1.041 4.014 1.00 0.58 O ATOM 1034 CB GLU A 152 68.886 3.492 2.695 1.00 0.59 C ATOM 1035 CG GLU A 152 70.184 4.235 2.376 1.00 0.76 C ATOM 1036 CD GLU A 152 70.007 5.724 2.681 1.00 0.75 C ATOM 1037 OE1 GLU A 152 69.219 6.040 3.557 1.00 1.20 O ATOM 1038 OE2 GLU A 152 70.664 6.523 2.032 1.00 1.39 O ATOM 0 H GLU A 152 70.330 2.268 1.242 1.00 0.67 H new ATOM 0 HA GLU A 152 69.630 1.936 4.035 1.00 0.61 H new ATOM 0 HB2 GLU A 152 68.210 3.537 1.841 1.00 0.59 H new ATOM 0 HB3 GLU A 152 68.377 3.971 3.531 1.00 0.59 H new ATOM 0 HG2 GLU A 152 71.004 3.827 2.967 1.00 0.76 H new ATOM 0 HG3 GLU A 152 70.447 4.096 1.327 1.00 0.76 H new ATOM 1045 N PHE A 153 67.587 0.640 1.881 1.00 0.60 N ATOM 1046 CA PHE A 153 66.354 -0.193 1.795 1.00 0.61 C ATOM 1047 C PHE A 153 66.592 -1.557 2.447 1.00 0.66 C ATOM 1048 O PHE A 153 65.721 -2.104 3.096 1.00 0.71 O ATOM 1049 CB PHE A 153 66.085 -0.354 0.298 1.00 0.64 C ATOM 1050 CG PHE A 153 64.844 -1.191 0.098 1.00 0.68 C ATOM 1051 CD1 PHE A 153 64.899 -2.577 0.282 1.00 1.47 C ATOM 1052 CD2 PHE A 153 63.640 -0.579 -0.270 1.00 1.18 C ATOM 1053 CE1 PHE A 153 63.748 -3.352 0.099 1.00 1.55 C ATOM 1054 CE2 PHE A 153 62.489 -1.355 -0.453 1.00 1.24 C ATOM 1055 CZ PHE A 153 62.543 -2.741 -0.269 1.00 0.93 C ATOM 0 H PHE A 153 68.112 0.730 1.011 1.00 0.60 H new ATOM 0 HA PHE A 153 65.511 0.264 2.312 1.00 0.61 H new ATOM 0 HB2 PHE A 153 65.956 0.624 -0.167 1.00 0.64 H new ATOM 0 HB3 PHE A 153 66.938 -0.828 -0.187 1.00 0.64 H new ATOM 0 HD1 PHE A 153 65.829 -3.048 0.565 1.00 1.47 H new ATOM 0 HD2 PHE A 153 63.599 0.491 -0.413 1.00 1.18 H new ATOM 0 HE1 PHE A 153 63.789 -4.422 0.242 1.00 1.55 H new ATOM 0 HE2 PHE A 153 61.559 -0.884 -0.736 1.00 1.24 H new ATOM 0 HZ PHE A 153 61.655 -3.340 -0.411 1.00 0.93 H new ATOM 1065 N LEU A 154 67.763 -2.110 2.283 1.00 0.72 N ATOM 1066 CA LEU A 154 68.050 -3.438 2.898 1.00 0.80 C ATOM 1067 C LEU A 154 67.720 -3.407 4.391 1.00 0.79 C ATOM 1068 O LEU A 154 67.229 -4.368 4.949 1.00 0.82 O ATOM 1069 CB LEU A 154 69.548 -3.660 2.685 1.00 0.92 C ATOM 1070 CG LEU A 154 69.756 -4.743 1.625 1.00 0.85 C ATOM 1071 CD1 LEU A 154 69.003 -6.011 2.036 1.00 1.74 C ATOM 1072 CD2 LEU A 154 69.221 -4.246 0.281 1.00 1.54 C ATOM 0 H LEU A 154 68.532 -1.701 1.751 1.00 0.72 H new ATOM 0 HA LEU A 154 67.454 -4.236 2.455 1.00 0.80 H new ATOM 0 HB2 LEU A 154 70.023 -2.731 2.370 1.00 0.92 H new ATOM 0 HB3 LEU A 154 70.020 -3.957 3.622 1.00 0.92 H new ATOM 0 HG LEU A 154 70.819 -4.966 1.535 1.00 0.85 H new ATOM 0 HD11 LEU A 154 69.151 -6.783 1.281 1.00 1.74 H new ATOM 0 HD12 LEU A 154 69.382 -6.364 2.995 1.00 1.74 H new ATOM 0 HD13 LEU A 154 67.939 -5.790 2.125 1.00 1.74 H new ATOM 0 HD21 LEU A 154 69.368 -5.016 -0.476 1.00 1.54 H new ATOM 0 HD22 LEU A 154 68.158 -4.025 0.372 1.00 1.54 H new ATOM 0 HD23 LEU A 154 69.756 -3.342 -0.012 1.00 1.54 H new ATOM 1084 N GLU A 155 67.983 -2.308 5.042 1.00 0.79 N ATOM 1085 CA GLU A 155 67.682 -2.216 6.498 1.00 0.82 C ATOM 1086 C GLU A 155 66.234 -1.764 6.708 1.00 0.81 C ATOM 1087 O GLU A 155 65.597 -2.119 7.679 1.00 0.90 O ATOM 1088 CB GLU A 155 68.656 -1.169 7.037 1.00 0.85 C ATOM 1089 CG GLU A 155 68.709 -1.259 8.563 1.00 0.95 C ATOM 1090 CD GLU A 155 68.003 -0.045 9.170 1.00 1.67 C ATOM 1091 OE1 GLU A 155 68.252 1.055 8.704 1.00 2.27 O ATOM 1092 OE2 GLU A 155 67.226 -0.235 10.091 1.00 2.47 O ATOM 0 H GLU A 155 68.393 -1.470 4.629 1.00 0.79 H new ATOM 0 HA GLU A 155 67.793 -3.174 7.006 1.00 0.82 H new ATOM 0 HB2 GLU A 155 69.649 -1.331 6.618 1.00 0.85 H new ATOM 0 HB3 GLU A 155 68.340 -0.172 6.732 1.00 0.85 H new ATOM 0 HG2 GLU A 155 68.230 -2.178 8.901 1.00 0.95 H new ATOM 0 HG3 GLU A 155 69.745 -1.297 8.900 1.00 0.95 H new ATOM 1099 N PHE A 156 65.708 -0.983 5.802 1.00 0.75 N ATOM 1100 CA PHE A 156 64.303 -0.512 5.950 1.00 0.78 C ATOM 1101 C PHE A 156 63.358 -1.713 6.057 1.00 0.84 C ATOM 1102 O PHE A 156 62.482 -1.755 6.898 1.00 0.90 O ATOM 1103 CB PHE A 156 64.020 0.289 4.678 1.00 0.78 C ATOM 1104 CG PHE A 156 62.651 0.931 4.758 1.00 0.85 C ATOM 1105 CD1 PHE A 156 62.023 1.113 5.998 1.00 1.27 C ATOM 1106 CD2 PHE A 156 62.012 1.347 3.584 1.00 1.66 C ATOM 1107 CE1 PHE A 156 60.759 1.710 6.060 1.00 1.31 C ATOM 1108 CE2 PHE A 156 60.748 1.945 3.648 1.00 1.77 C ATOM 1109 CZ PHE A 156 60.121 2.126 4.885 1.00 1.10 C ATOM 0 H PHE A 156 66.191 -0.652 4.967 1.00 0.75 H new ATOM 0 HA PHE A 156 64.155 0.089 6.847 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.782 1.057 4.546 1.00 0.78 H new ATOM 0 HB3 PHE A 156 64.072 -0.366 3.808 1.00 0.78 H new ATOM 0 HD1 PHE A 156 62.514 0.793 6.905 1.00 1.27 H new ATOM 0 HD2 PHE A 156 62.495 1.206 2.628 1.00 1.66 H new ATOM 0 HE1 PHE A 156 60.275 1.850 7.015 1.00 1.31 H new ATOM 0 HE2 PHE A 156 60.257 2.267 2.742 1.00 1.77 H new ATOM 0 HZ PHE A 156 59.145 2.586 4.934 1.00 1.10 H new ATOM 1119 N MET A 157 63.536 -2.693 5.213 1.00 0.86 N ATOM 1120 CA MET A 157 62.656 -3.896 5.269 1.00 0.95 C ATOM 1121 C MET A 157 63.055 -4.782 6.452 1.00 0.99 C ATOM 1122 O MET A 157 62.288 -5.605 6.912 1.00 1.12 O ATOM 1123 CB MET A 157 62.898 -4.624 3.946 1.00 0.99 C ATOM 1124 CG MET A 157 61.732 -4.358 2.992 1.00 1.28 C ATOM 1125 SD MET A 157 61.598 -2.579 2.685 1.00 1.48 S ATOM 1126 CE MET A 157 60.087 -2.635 1.690 1.00 1.12 C ATOM 0 H MET A 157 64.252 -2.713 4.487 1.00 0.86 H new ATOM 0 HA MET A 157 61.606 -3.638 5.404 1.00 0.95 H new ATOM 0 HB2 MET A 157 63.832 -4.284 3.498 1.00 0.99 H new ATOM 0 HB3 MET A 157 63.000 -5.695 4.122 1.00 0.99 H new ATOM 0 HG2 MET A 157 61.888 -4.889 2.053 1.00 1.28 H new ATOM 0 HG3 MET A 157 60.804 -4.735 3.421 1.00 1.28 H new ATOM 0 HE1 MET A 157 60.177 -1.944 0.852 1.00 1.12 H new ATOM 0 HE2 MET A 157 59.938 -3.646 1.312 1.00 1.12 H new ATOM 0 HE3 MET A 157 59.235 -2.349 2.306 1.00 1.12 H new ATOM 1136 N LYS A 158 64.253 -4.619 6.947 1.00 0.94 N ATOM 1137 CA LYS A 158 64.706 -5.451 8.101 1.00 1.02 C ATOM 1138 C LYS A 158 63.741 -5.292 9.279 1.00 1.05 C ATOM 1139 O LYS A 158 63.189 -6.255 9.775 1.00 1.20 O ATOM 1140 CB LYS A 158 66.089 -4.906 8.463 1.00 1.07 C ATOM 1141 CG LYS A 158 67.071 -6.070 8.621 1.00 1.26 C ATOM 1142 CD LYS A 158 68.454 -5.528 8.989 1.00 1.53 C ATOM 1143 CE LYS A 158 69.386 -5.644 7.780 1.00 1.45 C ATOM 1144 NZ LYS A 158 70.760 -5.501 8.337 1.00 2.07 N ATOM 0 H LYS A 158 64.938 -3.946 6.603 1.00 0.94 H new ATOM 0 HA LYS A 158 64.737 -6.513 7.858 1.00 1.02 H new ATOM 0 HB2 LYS A 158 66.438 -4.225 7.687 1.00 1.07 H new ATOM 0 HB3 LYS A 158 66.035 -4.333 9.389 1.00 1.07 H new ATOM 0 HG2 LYS A 158 66.719 -6.753 9.394 1.00 1.26 H new ATOM 0 HG3 LYS A 158 67.128 -6.640 7.694 1.00 1.26 H new ATOM 0 HD2 LYS A 158 68.377 -4.487 9.303 1.00 1.53 H new ATOM 0 HD3 LYS A 158 68.863 -6.086 9.832 1.00 1.53 H new ATOM 0 HE2 LYS A 158 69.262 -6.603 7.277 1.00 1.45 H new ATOM 0 HE3 LYS A 158 69.176 -4.868 7.044 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 71.456 -5.570 7.567 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 70.851 -4.576 8.804 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 70.934 -6.257 9.030 1.00 2.07 H new ATOM 1158 N GLY A 159 63.533 -4.085 9.729 1.00 1.04 N ATOM 1159 CA GLY A 159 62.604 -3.867 10.874 1.00 1.14 C ATOM 1160 C GLY A 159 61.164 -3.839 10.360 1.00 1.14 C ATOM 1161 O GLY A 159 60.223 -4.027 11.104 1.00 1.38 O ATOM 0 H GLY A 159 63.966 -3.241 9.354 1.00 1.04 H new ATOM 0 HA2 GLY A 159 62.724 -4.662 11.610 1.00 1.14 H new ATOM 0 HA3 GLY A 159 62.841 -2.929 11.376 1.00 1.14 H new ATOM 1165 N VAL A 160 60.987 -3.606 9.089 1.00 1.42 N ATOM 1166 CA VAL A 160 59.611 -3.566 8.519 1.00 1.48 C ATOM 1167 C VAL A 160 59.158 -4.982 8.145 1.00 1.88 C ATOM 1168 O VAL A 160 59.438 -5.469 7.068 1.00 2.37 O ATOM 1169 CB VAL A 160 59.731 -2.680 7.275 1.00 1.32 C ATOM 1170 CG1 VAL A 160 58.575 -2.967 6.313 1.00 1.35 C ATOM 1171 CG2 VAL A 160 59.685 -1.209 7.697 1.00 1.49 C ATOM 0 H VAL A 160 61.738 -3.441 8.419 1.00 1.42 H new ATOM 0 HA VAL A 160 58.874 -3.178 9.222 1.00 1.48 H new ATOM 0 HB VAL A 160 60.675 -2.893 6.773 1.00 1.32 H new ATOM 0 HG11 VAL A 160 58.669 -2.332 5.432 1.00 1.35 H new ATOM 0 HG12 VAL A 160 58.604 -4.014 6.011 1.00 1.35 H new ATOM 0 HG13 VAL A 160 57.628 -2.759 6.810 1.00 1.35 H new ATOM 0 HG21 VAL A 160 59.770 -0.575 6.815 1.00 1.49 H new ATOM 0 HG22 VAL A 160 58.741 -1.005 8.201 1.00 1.49 H new ATOM 0 HG23 VAL A 160 60.512 -0.999 8.376 1.00 1.49 H new ATOM 1181 N GLU A 161 58.462 -5.643 9.028 1.00 2.17 N ATOM 1182 CA GLU A 161 57.992 -7.025 8.723 1.00 2.67 C ATOM 1183 C GLU A 161 56.501 -7.011 8.374 1.00 3.21 C ATOM 1184 O GLU A 161 55.747 -6.397 9.112 1.00 3.74 O ATOM 1185 CB GLU A 161 58.235 -7.819 10.008 1.00 3.19 C ATOM 1186 CG GLU A 161 59.557 -8.582 9.897 1.00 3.64 C ATOM 1187 CD GLU A 161 59.277 -10.039 9.522 1.00 4.40 C ATOM 1188 OE1 GLU A 161 58.686 -10.736 10.331 1.00 5.03 O ATOM 1189 OE2 GLU A 161 59.658 -10.432 8.432 1.00 4.73 O ATOM 1190 OXT GLU A 161 56.141 -7.613 7.377 1.00 3.58 O ATOM 0 H GLU A 161 58.198 -5.287 9.947 1.00 2.17 H new ATOM 0 HA GLU A 161 58.514 -7.460 7.871 1.00 2.67 H new ATOM 0 HB2 GLU A 161 58.263 -7.145 10.864 1.00 3.19 H new ATOM 0 HB3 GLU A 161 57.414 -8.516 10.178 1.00 3.19 H new ATOM 0 HG2 GLU A 161 60.195 -8.118 9.144 1.00 3.64 H new ATOM 0 HG3 GLU A 161 60.096 -8.536 10.843 1.00 3.64 H new TER 1197 GLU A 161 HETATM 1198 CA CA A 1 63.164 7.204 -7.702 1.00 0.50 CA HETATM 1199 CA CA A 2 69.264 8.097 2.005 1.00 0.74 CA