USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=17 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 141:sc= -0.379 (180deg=-2.05!) USER MOD Set 1.2: A 157 MET CE :methyl -123:sc= -0.151 (180deg=-0.0692) USER MOD Single : A 86 LYS NZ :NH3+ 146:sc= -0.197 (180deg=-1.78!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 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=0.000272 USER MOD Single : A 98 SER OG : rot 180:sc= -0.746! USER MOD Single : A 103 MET CE :methyl 166:sc= 0 (180deg=-0.256) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.0123 F(o=-0.74,f=-0.012) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -129:sc= -0.0286 (180deg=-0.883) USER MOD Single : A 122 GLN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : A 124 THR OG1 : rot 66:sc= -0.988! USER MOD Single : A 127 THR OG1 : rot 140:sc= -0.495 USER MOD Single : A 129 THR OG1 : rot 91:sc= -4.42! USER MOD Single : A 137 MET CE :methyl 150:sc= -9.76! (180deg=-10.6!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.111) USER MOD Single : A 144 ASN : amide:sc= -0.827 K(o=-0.83,f=-5!) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 86 52.830 -19.581 5.643 1.00 7.24 N ATOM 2 CA LYS A 86 52.542 -20.876 6.325 1.00 7.10 C ATOM 3 C LYS A 86 51.336 -21.559 5.672 1.00 6.94 C ATOM 4 O LYS A 86 50.976 -22.666 6.017 1.00 7.49 O ATOM 5 CB LYS A 86 52.228 -20.499 7.775 1.00 7.61 C ATOM 6 CG LYS A 86 50.831 -19.878 7.855 1.00 8.01 C ATOM 7 CD LYS A 86 49.810 -20.961 8.208 1.00 8.72 C ATOM 8 CE LYS A 86 48.585 -20.316 8.859 1.00 9.14 C ATOM 9 NZ LYS A 86 47.432 -20.748 8.022 1.00 9.95 N ATOM 0 HA LYS A 86 53.376 -21.574 6.258 1.00 7.10 H new ATOM 0 HB2 LYS A 86 52.281 -21.383 8.410 1.00 7.61 H new ATOM 0 HB3 LYS A 86 52.972 -19.794 8.147 1.00 7.61 H new ATOM 0 HG2 LYS A 86 50.815 -19.089 8.607 1.00 8.01 H new ATOM 0 HG3 LYS A 86 50.572 -19.416 6.902 1.00 8.01 H new ATOM 0 HD2 LYS A 86 49.514 -21.503 7.310 1.00 8.72 H new ATOM 0 HD3 LYS A 86 50.255 -21.688 8.887 1.00 8.72 H new ATOM 0 HE2 LYS A 86 48.468 -20.644 9.892 1.00 9.14 H new ATOM 0 HE3 LYS A 86 48.674 -19.230 8.878 1.00 9.14 H new ATOM 0 HZ1 LYS A 86 46.593 -20.873 8.624 1.00 9.95 H new ATOM 0 HZ2 LYS A 86 47.236 -20.024 7.301 1.00 9.95 H new ATOM 0 HZ3 LYS A 86 47.660 -21.649 7.555 1.00 9.95 H new ATOM 25 N ASP A 87 50.711 -20.907 4.729 1.00 6.50 N ATOM 26 CA ASP A 87 49.531 -21.520 4.056 1.00 6.70 C ATOM 27 C ASP A 87 49.728 -21.525 2.538 1.00 6.03 C ATOM 28 O ASP A 87 49.251 -22.402 1.844 1.00 6.49 O ATOM 29 CB ASP A 87 48.350 -20.627 4.440 1.00 7.25 C ATOM 30 CG ASP A 87 47.064 -21.190 3.832 1.00 7.77 C ATOM 31 OD1 ASP A 87 47.158 -22.143 3.074 1.00 8.12 O ATOM 32 OD2 ASP A 87 46.007 -20.661 4.134 1.00 8.06 O ATOM 0 H ASP A 87 50.967 -19.977 4.396 1.00 6.50 H new ATOM 0 HA ASP A 87 49.376 -22.556 4.358 1.00 6.70 H new ATOM 0 HB2 ASP A 87 48.259 -20.574 5.525 1.00 7.25 H new ATOM 0 HB3 ASP A 87 48.518 -19.611 4.084 1.00 7.25 H new ATOM 37 N ASP A 88 50.424 -20.552 2.016 1.00 5.23 N ATOM 38 CA ASP A 88 50.648 -20.503 0.543 1.00 5.00 C ATOM 39 C ASP A 88 52.147 -20.554 0.232 1.00 4.51 C ATOM 40 O ASP A 88 52.593 -20.086 -0.797 1.00 4.82 O ATOM 41 CB ASP A 88 50.054 -19.167 0.097 1.00 5.14 C ATOM 42 CG ASP A 88 48.586 -19.362 -0.285 1.00 5.52 C ATOM 43 OD1 ASP A 88 48.277 -20.389 -0.866 1.00 5.85 O ATOM 44 OD2 ASP A 88 47.796 -18.480 0.011 1.00 5.82 O ATOM 0 H ASP A 88 50.847 -19.789 2.545 1.00 5.23 H new ATOM 0 HA ASP A 88 50.189 -21.347 0.028 1.00 5.00 H new ATOM 0 HB2 ASP A 88 50.137 -18.434 0.899 1.00 5.14 H new ATOM 0 HB3 ASP A 88 50.613 -18.774 -0.753 1.00 5.14 H new ATOM 49 N SER A 89 52.928 -21.119 1.113 1.00 4.24 N ATOM 50 CA SER A 89 54.396 -21.198 0.867 1.00 4.26 C ATOM 51 C SER A 89 54.909 -19.872 0.300 1.00 3.50 C ATOM 52 O SER A 89 55.258 -19.775 -0.860 1.00 3.81 O ATOM 53 CB SER A 89 54.567 -22.320 -0.156 1.00 5.08 C ATOM 54 OG SER A 89 55.953 -22.538 -0.386 1.00 5.76 O ATOM 0 H SER A 89 52.613 -21.529 1.992 1.00 4.24 H new ATOM 0 HA SER A 89 54.958 -21.391 1.781 1.00 4.26 H new ATOM 0 HB2 SER A 89 54.099 -23.234 0.208 1.00 5.08 H new ATOM 0 HB3 SER A 89 54.069 -22.056 -1.089 1.00 5.08 H new ATOM 0 HG SER A 89 56.067 -23.258 -1.041 1.00 5.76 H new ATOM 60 N LYS A 90 54.953 -18.848 1.108 1.00 3.10 N ATOM 61 CA LYS A 90 55.441 -17.529 0.613 1.00 3.08 C ATOM 62 C LYS A 90 56.775 -17.172 1.274 1.00 2.72 C ATOM 63 O LYS A 90 56.815 -16.535 2.308 1.00 3.21 O ATOM 64 CB LYS A 90 54.356 -16.530 1.016 1.00 3.94 C ATOM 65 CG LYS A 90 53.729 -15.922 -0.240 1.00 4.74 C ATOM 66 CD LYS A 90 53.278 -14.490 0.055 1.00 5.61 C ATOM 67 CE LYS A 90 53.006 -13.757 -1.260 1.00 6.53 C ATOM 68 NZ LYS A 90 52.924 -12.318 -0.888 1.00 7.32 N ATOM 0 H LYS A 90 54.673 -18.867 2.088 1.00 3.10 H new ATOM 0 HA LYS A 90 55.614 -17.531 -0.463 1.00 3.08 H new ATOM 0 HB2 LYS A 90 53.591 -17.028 1.612 1.00 3.94 H new ATOM 0 HB3 LYS A 90 54.784 -15.744 1.639 1.00 3.94 H new ATOM 0 HG2 LYS A 90 54.450 -15.926 -1.057 1.00 4.74 H new ATOM 0 HG3 LYS A 90 52.879 -16.523 -0.562 1.00 4.74 H new ATOM 0 HD2 LYS A 90 52.378 -14.501 0.670 1.00 5.61 H new ATOM 0 HD3 LYS A 90 54.046 -13.966 0.623 1.00 5.61 H new ATOM 0 HE2 LYS A 90 53.803 -13.933 -1.982 1.00 6.53 H new ATOM 0 HE3 LYS A 90 52.078 -14.100 -1.719 1.00 6.53 H new ATOM 0 HZ1 LYS A 90 52.739 -11.749 -1.739 1.00 7.32 H new ATOM 0 HZ2 LYS A 90 52.152 -12.180 -0.204 1.00 7.32 H new ATOM 0 HZ3 LYS A 90 53.823 -12.018 -0.460 1.00 7.32 H new ATOM 82 N GLY A 91 57.866 -17.576 0.685 1.00 2.57 N ATOM 83 CA GLY A 91 59.196 -17.257 1.277 1.00 2.96 C ATOM 84 C GLY A 91 59.755 -15.996 0.619 1.00 2.68 C ATOM 85 O GLY A 91 59.334 -15.606 -0.453 1.00 2.94 O ATOM 0 H GLY A 91 57.894 -18.114 -0.181 1.00 2.57 H new ATOM 0 HA2 GLY A 91 59.101 -17.108 2.353 1.00 2.96 H new ATOM 0 HA3 GLY A 91 59.881 -18.092 1.130 1.00 2.96 H new ATOM 89 N LYS A 92 60.700 -15.352 1.248 1.00 2.54 N ATOM 90 CA LYS A 92 61.281 -14.116 0.651 1.00 2.34 C ATOM 91 C LYS A 92 62.756 -13.979 1.043 1.00 2.22 C ATOM 92 O LYS A 92 63.080 -13.618 2.157 1.00 2.57 O ATOM 93 CB LYS A 92 60.460 -12.969 1.239 1.00 2.51 C ATOM 94 CG LYS A 92 59.573 -12.364 0.148 1.00 2.46 C ATOM 95 CD LYS A 92 58.226 -11.960 0.749 1.00 2.69 C ATOM 96 CE LYS A 92 58.101 -10.436 0.748 1.00 2.82 C ATOM 97 NZ LYS A 92 56.682 -10.166 0.384 1.00 3.39 N ATOM 0 H LYS A 92 61.094 -15.627 2.148 1.00 2.54 H new ATOM 0 HA LYS A 92 61.244 -14.127 -0.438 1.00 2.34 H new ATOM 0 HB2 LYS A 92 59.845 -13.333 2.062 1.00 2.51 H new ATOM 0 HB3 LYS A 92 61.122 -12.206 1.649 1.00 2.51 H new ATOM 0 HG2 LYS A 92 60.062 -11.495 -0.292 1.00 2.46 H new ATOM 0 HG3 LYS A 92 59.423 -13.086 -0.655 1.00 2.46 H new ATOM 0 HD2 LYS A 92 57.412 -12.402 0.174 1.00 2.69 H new ATOM 0 HD3 LYS A 92 58.141 -12.341 1.767 1.00 2.69 H new ATOM 0 HE2 LYS A 92 58.344 -10.019 1.726 1.00 2.82 H new ATOM 0 HE3 LYS A 92 58.785 -9.984 0.030 1.00 2.82 H new ATOM 0 HZ1 LYS A 92 56.518 -9.139 0.363 1.00 3.39 H new ATOM 0 HZ2 LYS A 92 56.482 -10.568 -0.554 1.00 3.39 H new ATOM 0 HZ3 LYS A 92 56.054 -10.602 1.089 1.00 3.39 H new ATOM 111 N THR A 93 63.649 -14.263 0.135 1.00 1.93 N ATOM 112 CA THR A 93 65.101 -14.147 0.455 1.00 1.88 C ATOM 113 C THR A 93 65.618 -12.760 0.063 1.00 1.62 C ATOM 114 O THR A 93 64.854 -11.835 -0.128 1.00 1.47 O ATOM 115 CB THR A 93 65.779 -15.231 -0.385 1.00 1.99 C ATOM 116 OG1 THR A 93 65.561 -14.965 -1.763 1.00 2.05 O ATOM 117 CG2 THR A 93 65.193 -16.598 -0.028 1.00 2.53 C ATOM 0 H THR A 93 63.437 -14.570 -0.814 1.00 1.93 H new ATOM 0 HA THR A 93 65.302 -14.272 1.519 1.00 1.88 H new ATOM 0 HB THR A 93 66.850 -15.233 -0.180 1.00 1.99 H new ATOM 0 HG1 THR A 93 65.996 -15.658 -2.303 1.00 2.05 H new ATOM 0 HG21 THR A 93 65.677 -17.369 -0.627 1.00 2.53 H new ATOM 0 HG22 THR A 93 65.362 -16.801 1.030 1.00 2.53 H new ATOM 0 HG23 THR A 93 64.122 -16.599 -0.232 1.00 2.53 H new ATOM 125 N GLU A 94 66.908 -12.609 -0.058 1.00 1.64 N ATOM 126 CA GLU A 94 67.470 -11.281 -0.439 1.00 1.49 C ATOM 127 C GLU A 94 67.144 -10.969 -1.901 1.00 1.41 C ATOM 128 O GLU A 94 67.219 -9.838 -2.337 1.00 1.36 O ATOM 129 CB GLU A 94 68.981 -11.416 -0.243 1.00 1.64 C ATOM 130 CG GLU A 94 69.302 -11.455 1.252 1.00 1.85 C ATOM 131 CD GLU A 94 70.012 -10.161 1.654 1.00 2.27 C ATOM 132 OE1 GLU A 94 69.353 -9.135 1.698 1.00 2.65 O ATOM 133 OE2 GLU A 94 71.203 -10.218 1.913 1.00 2.83 O ATOM 0 H GLU A 94 67.597 -13.346 0.090 1.00 1.64 H new ATOM 0 HA GLU A 94 67.054 -10.471 0.159 1.00 1.49 H new ATOM 0 HB2 GLU A 94 69.341 -12.324 -0.727 1.00 1.64 H new ATOM 0 HB3 GLU A 94 69.495 -10.578 -0.714 1.00 1.64 H new ATOM 0 HG2 GLU A 94 68.385 -11.574 1.829 1.00 1.85 H new ATOM 0 HG3 GLU A 94 69.934 -12.314 1.477 1.00 1.85 H new ATOM 140 N GLU A 95 66.780 -11.965 -2.662 1.00 1.47 N ATOM 141 CA GLU A 95 66.449 -11.727 -4.095 1.00 1.49 C ATOM 142 C GLU A 95 65.093 -11.026 -4.213 1.00 1.39 C ATOM 143 O GLU A 95 64.806 -10.369 -5.194 1.00 1.40 O ATOM 144 CB GLU A 95 66.388 -13.121 -4.723 1.00 1.68 C ATOM 145 CG GLU A 95 67.584 -13.314 -5.656 1.00 2.03 C ATOM 146 CD GLU A 95 67.861 -14.808 -5.830 1.00 2.24 C ATOM 147 OE1 GLU A 95 67.290 -15.396 -6.734 1.00 2.56 O ATOM 148 OE2 GLU A 95 68.639 -15.340 -5.055 1.00 2.72 O ATOM 0 H GLU A 95 66.698 -12.934 -2.353 1.00 1.47 H new ATOM 0 HA GLU A 95 67.182 -11.089 -4.589 1.00 1.49 H new ATOM 0 HB2 GLU A 95 66.395 -13.883 -3.944 1.00 1.68 H new ATOM 0 HB3 GLU A 95 65.458 -13.241 -5.278 1.00 1.68 H new ATOM 0 HG2 GLU A 95 67.381 -12.856 -6.624 1.00 2.03 H new ATOM 0 HG3 GLU A 95 68.463 -12.816 -5.246 1.00 2.03 H new ATOM 155 N GLU A 96 64.256 -11.162 -3.221 1.00 1.38 N ATOM 156 CA GLU A 96 62.919 -10.504 -3.276 1.00 1.34 C ATOM 157 C GLU A 96 63.004 -9.082 -2.714 1.00 1.16 C ATOM 158 O GLU A 96 62.204 -8.227 -3.040 1.00 1.07 O ATOM 159 CB GLU A 96 62.017 -11.373 -2.401 1.00 1.51 C ATOM 160 CG GLU A 96 61.785 -12.721 -3.086 1.00 2.07 C ATOM 161 CD GLU A 96 60.561 -12.627 -3.998 1.00 2.19 C ATOM 162 OE1 GLU A 96 59.457 -12.638 -3.478 1.00 2.60 O ATOM 163 OE2 GLU A 96 60.748 -12.543 -5.201 1.00 2.61 O ATOM 0 H GLU A 96 64.440 -11.700 -2.374 1.00 1.38 H new ATOM 0 HA GLU A 96 62.542 -10.419 -4.295 1.00 1.34 H new ATOM 0 HB2 GLU A 96 62.476 -11.524 -1.424 1.00 1.51 H new ATOM 0 HB3 GLU A 96 61.065 -10.871 -2.231 1.00 1.51 H new ATOM 0 HG2 GLU A 96 62.664 -13.001 -3.667 1.00 2.07 H new ATOM 0 HG3 GLU A 96 61.635 -13.500 -2.338 1.00 2.07 H new ATOM 170 N LEU A 97 63.967 -8.822 -1.874 1.00 1.14 N ATOM 171 CA LEU A 97 64.101 -7.455 -1.293 1.00 0.99 C ATOM 172 C LEU A 97 64.634 -6.481 -2.349 1.00 0.82 C ATOM 173 O LEU A 97 64.352 -5.300 -2.316 1.00 0.70 O ATOM 174 CB LEU A 97 65.104 -7.607 -0.149 1.00 1.03 C ATOM 175 CG LEU A 97 64.359 -7.952 1.141 1.00 1.31 C ATOM 176 CD1 LEU A 97 65.162 -8.986 1.934 1.00 1.57 C ATOM 177 CD2 LEU A 97 64.188 -6.687 1.983 1.00 1.71 C ATOM 0 H LEU A 97 64.667 -9.496 -1.564 1.00 1.14 H new ATOM 0 HA LEU A 97 63.146 -7.058 -0.948 1.00 0.99 H new ATOM 0 HB2 LEU A 97 65.825 -8.389 -0.385 1.00 1.03 H new ATOM 0 HB3 LEU A 97 65.667 -6.683 -0.020 1.00 1.03 H new ATOM 0 HG LEU A 97 63.379 -8.363 0.896 1.00 1.31 H new ATOM 0 HD11 LEU A 97 64.631 -9.232 2.854 1.00 1.57 H new ATOM 0 HD12 LEU A 97 65.286 -9.888 1.335 1.00 1.57 H new ATOM 0 HD13 LEU A 97 66.142 -8.576 2.179 1.00 1.57 H new ATOM 0 HD21 LEU A 97 63.657 -6.931 2.903 1.00 1.71 H new ATOM 0 HD22 LEU A 97 65.168 -6.277 2.228 1.00 1.71 H new ATOM 0 HD23 LEU A 97 63.617 -5.949 1.419 1.00 1.71 H new ATOM 189 N SER A 98 65.404 -6.968 -3.284 1.00 0.87 N ATOM 190 CA SER A 98 65.955 -6.070 -4.339 1.00 0.78 C ATOM 191 C SER A 98 64.900 -5.799 -5.415 1.00 0.75 C ATOM 192 O SER A 98 64.594 -4.665 -5.726 1.00 0.74 O ATOM 193 CB SER A 98 67.136 -6.839 -4.932 1.00 0.93 C ATOM 194 OG SER A 98 66.689 -7.596 -6.050 1.00 1.41 O ATOM 0 H SER A 98 65.675 -7.948 -3.363 1.00 0.87 H new ATOM 0 HA SER A 98 66.254 -5.101 -3.939 1.00 0.78 H new ATOM 0 HB2 SER A 98 67.920 -6.146 -5.237 1.00 0.93 H new ATOM 0 HB3 SER A 98 67.569 -7.499 -4.181 1.00 0.93 H new ATOM 0 HG SER A 98 67.444 -8.089 -6.434 1.00 1.41 H new ATOM 200 N ASP A 99 64.343 -6.831 -5.988 1.00 0.80 N ATOM 201 CA ASP A 99 63.309 -6.632 -7.046 1.00 0.82 C ATOM 202 C ASP A 99 62.173 -5.751 -6.520 1.00 0.77 C ATOM 203 O ASP A 99 61.453 -5.132 -7.278 1.00 0.77 O ATOM 204 CB ASP A 99 62.796 -8.035 -7.365 1.00 0.93 C ATOM 205 CG ASP A 99 63.963 -8.915 -7.817 1.00 1.45 C ATOM 206 OD1 ASP A 99 64.876 -8.385 -8.429 1.00 1.92 O ATOM 207 OD2 ASP A 99 63.923 -10.103 -7.545 1.00 2.18 O ATOM 0 H ASP A 99 64.559 -7.804 -5.770 1.00 0.80 H new ATOM 0 HA ASP A 99 63.712 -6.134 -7.928 1.00 0.82 H new ATOM 0 HB2 ASP A 99 62.320 -8.468 -6.486 1.00 0.93 H new ATOM 0 HB3 ASP A 99 62.038 -7.988 -8.147 1.00 0.93 H new ATOM 212 N LEU A 100 62.004 -5.692 -5.227 1.00 0.77 N ATOM 213 CA LEU A 100 60.911 -4.853 -4.657 1.00 0.77 C ATOM 214 C LEU A 100 61.304 -3.374 -4.691 1.00 0.64 C ATOM 215 O LEU A 100 60.471 -2.506 -4.857 1.00 0.64 O ATOM 216 CB LEU A 100 60.759 -5.334 -3.214 1.00 0.85 C ATOM 217 CG LEU A 100 59.288 -5.267 -2.805 1.00 1.16 C ATOM 218 CD1 LEU A 100 58.936 -6.497 -1.967 1.00 1.54 C ATOM 219 CD2 LEU A 100 59.049 -4.000 -1.979 1.00 1.57 C ATOM 0 H LEU A 100 62.574 -6.187 -4.542 1.00 0.77 H new ATOM 0 HA LEU A 100 59.982 -4.946 -5.220 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.127 -6.356 -3.120 1.00 0.85 H new ATOM 0 HB3 LEU A 100 61.361 -4.715 -2.548 1.00 0.85 H new ATOM 0 HG LEU A 100 58.661 -5.245 -3.697 1.00 1.16 H new ATOM 0 HD11 LEU A 100 57.887 -6.450 -1.675 1.00 1.54 H new ATOM 0 HD12 LEU A 100 59.109 -7.399 -2.554 1.00 1.54 H new ATOM 0 HD13 LEU A 100 59.561 -6.520 -1.074 1.00 1.54 H new ATOM 0 HD21 LEU A 100 58.000 -3.949 -1.686 1.00 1.57 H new ATOM 0 HD22 LEU A 100 59.675 -4.024 -1.087 1.00 1.57 H new ATOM 0 HD23 LEU A 100 59.302 -3.124 -2.576 1.00 1.57 H new ATOM 231 N PHE A 101 62.565 -3.080 -4.532 1.00 0.60 N ATOM 232 CA PHE A 101 63.008 -1.656 -4.551 1.00 0.53 C ATOM 233 C PHE A 101 62.902 -1.082 -5.967 1.00 0.49 C ATOM 234 O PHE A 101 62.304 -0.046 -6.183 1.00 0.61 O ATOM 235 CB PHE A 101 64.467 -1.690 -4.095 1.00 0.57 C ATOM 236 CG PHE A 101 65.058 -0.304 -4.188 1.00 0.46 C ATOM 237 CD1 PHE A 101 65.356 0.248 -5.439 1.00 1.23 C ATOM 238 CD2 PHE A 101 65.311 0.430 -3.022 1.00 1.31 C ATOM 239 CE1 PHE A 101 65.906 1.533 -5.527 1.00 1.23 C ATOM 240 CE2 PHE A 101 65.861 1.715 -3.108 1.00 1.30 C ATOM 241 CZ PHE A 101 66.157 2.267 -4.361 1.00 0.40 C ATOM 0 H PHE A 101 63.308 -3.764 -4.390 1.00 0.60 H new ATOM 0 HA PHE A 101 62.393 -1.026 -3.909 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.530 -2.055 -3.070 1.00 0.57 H new ATOM 0 HB3 PHE A 101 65.037 -2.382 -4.715 1.00 0.57 H new ATOM 0 HD1 PHE A 101 65.162 -0.318 -6.338 1.00 1.23 H new ATOM 0 HD2 PHE A 101 65.082 0.005 -2.056 1.00 1.31 H new ATOM 0 HE1 PHE A 101 66.136 1.957 -6.493 1.00 1.23 H new ATOM 0 HE2 PHE A 101 66.057 2.280 -2.209 1.00 1.30 H new ATOM 0 HZ PHE A 101 66.579 3.259 -4.428 1.00 0.40 H new ATOM 251 N ARG A 102 63.480 -1.743 -6.932 1.00 0.53 N ATOM 252 CA ARG A 102 63.416 -1.230 -8.332 1.00 0.70 C ATOM 253 C ARG A 102 61.993 -1.362 -8.884 1.00 0.80 C ATOM 254 O ARG A 102 61.637 -0.732 -9.860 1.00 1.09 O ATOM 255 CB ARG A 102 64.380 -2.115 -9.121 1.00 0.87 C ATOM 256 CG ARG A 102 65.446 -1.242 -9.787 1.00 1.28 C ATOM 257 CD ARG A 102 66.016 -1.971 -11.005 1.00 1.83 C ATOM 258 NE ARG A 102 67.491 -1.969 -10.799 1.00 2.26 N ATOM 259 CZ ARG A 102 68.187 -3.040 -11.060 1.00 2.89 C ATOM 260 NH1 ARG A 102 67.991 -3.693 -12.173 1.00 3.68 N ATOM 261 NH2 ARG A 102 69.082 -3.459 -10.207 1.00 3.22 N ATOM 0 H ARG A 102 63.994 -2.616 -6.813 1.00 0.53 H new ATOM 0 HA ARG A 102 63.683 -0.175 -8.396 1.00 0.70 H new ATOM 0 HB2 ARG A 102 64.851 -2.840 -8.457 1.00 0.87 H new ATOM 0 HB3 ARG A 102 63.835 -2.682 -9.876 1.00 0.87 H new ATOM 0 HG2 ARG A 102 65.013 -0.289 -10.090 1.00 1.28 H new ATOM 0 HG3 ARG A 102 66.243 -1.019 -9.078 1.00 1.28 H new ATOM 0 HD2 ARG A 102 65.628 -2.987 -11.074 1.00 1.83 H new ATOM 0 HD3 ARG A 102 65.746 -1.463 -11.931 1.00 1.83 H new ATOM 0 HE ARG A 102 67.957 -1.130 -10.454 1.00 2.26 H new ATOM 0 HH11 ARG A 102 67.292 -3.366 -12.840 1.00 3.68 H new ATOM 0 HH12 ARG A 102 68.536 -4.531 -12.376 1.00 3.68 H new ATOM 0 HH21 ARG A 102 69.236 -2.949 -9.337 1.00 3.22 H new ATOM 0 HH22 ARG A 102 69.627 -4.297 -10.410 1.00 3.22 H new ATOM 275 N MET A 103 61.179 -2.176 -8.271 1.00 0.68 N ATOM 276 CA MET A 103 59.783 -2.345 -8.769 1.00 0.81 C ATOM 277 C MET A 103 58.849 -1.343 -8.085 1.00 0.79 C ATOM 278 O MET A 103 57.772 -1.056 -8.568 1.00 0.90 O ATOM 279 CB MET A 103 59.398 -3.776 -8.395 1.00 0.91 C ATOM 280 CG MET A 103 58.009 -4.093 -8.953 1.00 1.35 C ATOM 281 SD MET A 103 57.918 -5.848 -9.384 1.00 1.92 S ATOM 282 CE MET A 103 58.083 -6.503 -7.705 1.00 1.63 C ATOM 0 H MET A 103 61.418 -2.731 -7.449 1.00 0.68 H new ATOM 0 HA MET A 103 59.706 -2.169 -9.842 1.00 0.81 H new ATOM 0 HB2 MET A 103 60.131 -4.477 -8.794 1.00 0.91 H new ATOM 0 HB3 MET A 103 59.402 -3.894 -7.311 1.00 0.91 H new ATOM 0 HG2 MET A 103 57.245 -3.849 -8.215 1.00 1.35 H new ATOM 0 HG3 MET A 103 57.810 -3.481 -9.833 1.00 1.35 H new ATOM 0 HE1 MET A 103 57.807 -7.557 -7.697 1.00 1.63 H new ATOM 0 HE2 MET A 103 59.115 -6.396 -7.372 1.00 1.63 H new ATOM 0 HE3 MET A 103 57.426 -5.951 -7.033 1.00 1.63 H new ATOM 292 N PHE A 104 59.251 -0.809 -6.964 1.00 0.71 N ATOM 293 CA PHE A 104 58.381 0.173 -6.254 1.00 0.75 C ATOM 294 C PHE A 104 58.951 1.587 -6.397 1.00 0.68 C ATOM 295 O PHE A 104 58.433 2.533 -5.839 1.00 0.80 O ATOM 296 CB PHE A 104 58.397 -0.269 -4.791 1.00 0.76 C ATOM 297 CG PHE A 104 57.246 -1.214 -4.540 1.00 1.03 C ATOM 298 CD1 PHE A 104 55.930 -0.748 -4.614 1.00 1.67 C ATOM 299 CD2 PHE A 104 57.498 -2.557 -4.233 1.00 1.71 C ATOM 300 CE1 PHE A 104 54.862 -1.624 -4.383 1.00 1.90 C ATOM 301 CE2 PHE A 104 56.431 -3.434 -4.002 1.00 2.03 C ATOM 302 CZ PHE A 104 55.113 -2.967 -4.076 1.00 1.76 C ATOM 0 H PHE A 104 60.142 -1.009 -6.509 1.00 0.71 H new ATOM 0 HA PHE A 104 57.370 0.198 -6.660 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.342 -0.760 -4.558 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.319 0.599 -4.136 1.00 0.76 H new ATOM 0 HD1 PHE A 104 55.737 0.288 -4.849 1.00 1.67 H new ATOM 0 HD2 PHE A 104 58.515 -2.916 -4.174 1.00 1.71 H new ATOM 0 HE1 PHE A 104 53.845 -1.264 -4.442 1.00 1.90 H new ATOM 0 HE2 PHE A 104 56.625 -4.470 -3.767 1.00 2.03 H new ATOM 0 HZ PHE A 104 54.290 -3.643 -3.896 1.00 1.76 H new ATOM 312 N ASP A 105 60.012 1.737 -7.141 1.00 0.58 N ATOM 313 CA ASP A 105 60.611 3.090 -7.318 1.00 0.52 C ATOM 314 C ASP A 105 59.860 3.861 -8.405 1.00 0.52 C ATOM 315 O ASP A 105 60.284 3.924 -9.541 1.00 0.60 O ATOM 316 CB ASP A 105 62.057 2.835 -7.742 1.00 0.60 C ATOM 317 CG ASP A 105 62.819 4.162 -7.785 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.373 5.099 -7.145 1.00 0.48 O ATOM 319 OD2 ASP A 105 63.834 4.218 -8.458 1.00 0.54 O ATOM 0 H ASP A 105 60.490 0.982 -7.634 1.00 0.58 H new ATOM 0 HA ASP A 105 60.555 3.687 -6.408 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.537 2.151 -7.042 1.00 0.60 H new ATOM 0 HB3 ASP A 105 62.081 2.358 -8.722 1.00 0.60 H new ATOM 324 N LYS A 106 58.747 4.450 -8.064 1.00 0.51 N ATOM 325 CA LYS A 106 57.975 5.219 -9.081 1.00 0.60 C ATOM 326 C LYS A 106 58.898 6.202 -9.801 1.00 0.59 C ATOM 327 O LYS A 106 58.684 6.545 -10.947 1.00 0.70 O ATOM 328 CB LYS A 106 56.905 5.969 -8.287 1.00 0.63 C ATOM 329 CG LYS A 106 56.056 6.810 -9.242 1.00 1.39 C ATOM 330 CD LYS A 106 54.627 6.267 -9.270 1.00 1.58 C ATOM 331 CE LYS A 106 54.452 5.346 -10.479 1.00 2.00 C ATOM 332 NZ LYS A 106 53.164 5.766 -11.099 1.00 2.79 N ATOM 0 H LYS A 106 58.340 4.433 -7.129 1.00 0.51 H new ATOM 0 HA LYS A 106 57.535 4.575 -9.843 1.00 0.60 H new ATOM 0 HB2 LYS A 106 56.274 5.262 -7.749 1.00 0.63 H new ATOM 0 HB3 LYS A 106 57.374 6.610 -7.540 1.00 0.63 H new ATOM 0 HG2 LYS A 106 56.054 7.852 -8.921 1.00 1.39 H new ATOM 0 HG3 LYS A 106 56.485 6.786 -10.244 1.00 1.39 H new ATOM 0 HD2 LYS A 106 54.417 5.721 -8.350 1.00 1.58 H new ATOM 0 HD3 LYS A 106 53.915 7.091 -9.321 1.00 1.58 H new ATOM 0 HE2 LYS A 106 55.280 5.452 -11.179 1.00 2.00 H new ATOM 0 HE3 LYS A 106 54.422 4.299 -10.177 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 52.974 5.179 -11.936 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 52.393 5.648 -10.411 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 53.225 6.765 -11.383 1.00 2.79 H new ATOM 346 N ASN A 107 59.927 6.659 -9.139 1.00 0.53 N ATOM 347 CA ASN A 107 60.862 7.620 -9.793 1.00 0.59 C ATOM 348 C ASN A 107 61.627 6.927 -10.924 1.00 0.60 C ATOM 349 O ASN A 107 61.839 7.492 -11.979 1.00 0.71 O ATOM 350 CB ASN A 107 61.823 8.053 -8.686 1.00 0.62 C ATOM 351 CG ASN A 107 62.217 9.516 -8.896 1.00 1.10 C ATOM 352 OD1 ASN A 107 62.215 10.013 -10.102 1.00 1.50 O flip ATOM 353 ND2 ASN A 107 62.529 10.215 -7.952 1.00 1.67 N flip ATOM 0 H ASN A 107 60.160 6.410 -8.178 1.00 0.53 H new ATOM 0 HA ASN A 107 60.339 8.468 -10.235 1.00 0.59 H new ATOM 0 HB2 ASN A 107 61.351 7.929 -7.711 1.00 0.62 H new ATOM 0 HB3 ASN A 107 62.711 7.421 -8.693 1.00 0.62 H new ATOM 0 HD21 ASN A 107 62.531 9.827 -7.009 1.00 1.67 H new ATOM 0 HD22 ASN A 107 62.789 11.190 -8.103 1.00 1.67 H new ATOM 360 N ALA A 108 62.044 5.708 -10.714 1.00 0.56 N ATOM 361 CA ALA A 108 62.797 4.980 -11.777 1.00 0.62 C ATOM 362 C ALA A 108 64.164 5.634 -11.997 1.00 0.64 C ATOM 363 O ALA A 108 64.619 5.781 -13.113 1.00 0.78 O ATOM 364 CB ALA A 108 61.935 5.106 -13.033 1.00 0.72 C ATOM 0 H ALA A 108 61.896 5.184 -9.852 1.00 0.56 H new ATOM 0 HA ALA A 108 62.981 3.939 -11.513 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.423 4.594 -13.862 1.00 0.72 H new ATOM 0 HB2 ALA A 108 60.960 4.655 -12.852 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.807 6.159 -13.282 1.00 0.72 H new ATOM 370 N ASP A 109 64.820 6.027 -10.940 1.00 0.57 N ATOM 371 CA ASP A 109 66.157 6.674 -11.090 1.00 0.63 C ATOM 372 C ASP A 109 67.213 5.906 -10.289 1.00 0.63 C ATOM 373 O ASP A 109 68.397 6.023 -10.535 1.00 0.76 O ATOM 374 CB ASP A 109 65.979 8.085 -10.528 1.00 0.62 C ATOM 375 CG ASP A 109 65.875 8.019 -9.003 1.00 0.70 C ATOM 376 OD1 ASP A 109 64.788 7.757 -8.514 1.00 0.75 O ATOM 377 OD2 ASP A 109 66.883 8.232 -8.350 1.00 1.20 O ATOM 0 H ASP A 109 64.490 5.929 -9.980 1.00 0.57 H new ATOM 0 HA ASP A 109 66.494 6.687 -12.126 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.822 8.712 -10.819 1.00 0.62 H new ATOM 0 HB3 ASP A 109 65.082 8.543 -10.945 1.00 0.62 H new ATOM 382 N GLY A 110 66.795 5.122 -9.334 1.00 0.58 N ATOM 383 CA GLY A 110 67.776 4.350 -8.520 1.00 0.62 C ATOM 384 C GLY A 110 67.513 4.596 -7.033 1.00 0.54 C ATOM 385 O GLY A 110 67.942 3.841 -6.184 1.00 0.57 O ATOM 0 H GLY A 110 65.817 4.982 -9.082 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.693 3.286 -8.744 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.792 4.651 -8.775 1.00 0.62 H new ATOM 389 N TYR A 111 66.811 5.648 -6.712 1.00 0.50 N ATOM 390 CA TYR A 111 66.518 5.944 -5.280 1.00 0.48 C ATOM 391 C TYR A 111 65.020 6.192 -5.092 1.00 0.42 C ATOM 392 O TYR A 111 64.297 6.421 -6.041 1.00 0.52 O ATOM 393 CB TYR A 111 67.313 7.214 -4.968 1.00 0.52 C ATOM 394 CG TYR A 111 68.783 6.958 -5.194 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.309 6.998 -6.491 1.00 1.36 C ATOM 396 CD2 TYR A 111 69.621 6.683 -4.108 1.00 1.38 C ATOM 397 CE1 TYR A 111 70.674 6.761 -6.702 1.00 1.40 C ATOM 398 CE2 TYR A 111 70.986 6.446 -4.317 1.00 1.46 C ATOM 399 CZ TYR A 111 71.512 6.485 -5.614 1.00 0.83 C ATOM 400 OH TYR A 111 72.856 6.252 -5.822 1.00 0.97 O ATOM 0 H TYR A 111 66.427 6.316 -7.380 1.00 0.50 H new ATOM 0 HA TYR A 111 66.791 5.119 -4.622 1.00 0.48 H new ATOM 0 HB2 TYR A 111 66.974 8.033 -5.603 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.141 7.519 -3.936 1.00 0.52 H new ATOM 0 HD1 TYR A 111 68.662 7.212 -7.329 1.00 1.36 H new ATOM 0 HD2 TYR A 111 69.215 6.653 -3.108 1.00 1.38 H new ATOM 0 HE1 TYR A 111 71.079 6.791 -7.703 1.00 1.40 H new ATOM 0 HE2 TYR A 111 71.632 6.233 -3.478 1.00 1.46 H new ATOM 0 HH TYR A 111 73.295 6.078 -4.963 1.00 0.97 H new ATOM 410 N ILE A 112 64.546 6.150 -3.877 1.00 0.36 N ATOM 411 CA ILE A 112 63.093 6.386 -3.641 1.00 0.32 C ATOM 412 C ILE A 112 62.884 7.439 -2.555 1.00 0.35 C ATOM 413 O ILE A 112 63.573 7.465 -1.555 1.00 0.43 O ATOM 414 CB ILE A 112 62.537 5.049 -3.198 1.00 0.32 C ATOM 415 CG1 ILE A 112 63.006 3.992 -4.204 1.00 0.40 C ATOM 416 CG2 ILE A 112 61.004 5.143 -3.174 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.959 2.893 -4.357 1.00 0.46 C ATOM 0 H ILE A 112 65.099 5.963 -3.041 1.00 0.36 H new ATOM 0 HA ILE A 112 62.595 6.758 -4.536 1.00 0.32 H new ATOM 0 HB ILE A 112 62.884 4.777 -2.201 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.193 4.460 -5.170 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.949 3.559 -3.871 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.586 4.188 -2.857 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.698 5.923 -2.476 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.639 5.385 -4.172 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.311 2.153 -5.075 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.792 2.413 -3.393 1.00 0.46 H new ATOM 0 HD13 ILE A 112 61.025 3.328 -4.712 1.00 0.46 H new ATOM 429 N ASP A 113 61.933 8.304 -2.744 1.00 0.36 N ATOM 430 CA ASP A 113 61.669 9.358 -1.722 1.00 0.44 C ATOM 431 C ASP A 113 60.408 9.015 -0.922 1.00 0.44 C ATOM 432 O ASP A 113 59.871 7.931 -1.028 1.00 0.60 O ATOM 433 CB ASP A 113 61.472 10.650 -2.520 1.00 0.56 C ATOM 434 CG ASP A 113 60.090 10.649 -3.175 1.00 0.94 C ATOM 435 OD1 ASP A 113 59.655 9.591 -3.595 1.00 1.58 O ATOM 436 OD2 ASP A 113 59.488 11.708 -3.244 1.00 1.53 O ATOM 0 H ASP A 113 61.324 8.330 -3.562 1.00 0.36 H new ATOM 0 HA ASP A 113 62.483 9.449 -1.003 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.572 11.513 -1.862 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.246 10.739 -3.282 1.00 0.56 H new ATOM 441 N LEU A 114 59.937 9.930 -0.120 1.00 0.47 N ATOM 442 CA LEU A 114 58.714 9.656 0.690 1.00 0.47 C ATOM 443 C LEU A 114 57.492 9.498 -0.221 1.00 0.50 C ATOM 444 O LEU A 114 56.757 8.535 -0.130 1.00 0.52 O ATOM 445 CB LEU A 114 58.556 10.884 1.588 1.00 0.57 C ATOM 446 CG LEU A 114 59.058 10.558 2.994 1.00 0.68 C ATOM 447 CD1 LEU A 114 58.107 9.562 3.658 1.00 1.36 C ATOM 448 CD2 LEU A 114 60.457 9.945 2.905 1.00 1.57 C ATOM 0 H LEU A 114 60.345 10.856 0.010 1.00 0.47 H new ATOM 0 HA LEU A 114 58.799 8.734 1.264 1.00 0.47 H new ATOM 0 HB2 LEU A 114 59.117 11.723 1.176 1.00 0.57 H new ATOM 0 HB3 LEU A 114 57.510 11.188 1.626 1.00 0.57 H new ATOM 0 HG LEU A 114 59.097 11.472 3.587 1.00 0.68 H new ATOM 0 HD11 LEU A 114 58.465 9.330 4.661 1.00 1.36 H new ATOM 0 HD12 LEU A 114 57.110 9.998 3.721 1.00 1.36 H new ATOM 0 HD13 LEU A 114 58.067 8.647 3.066 1.00 1.36 H new ATOM 0 HD21 LEU A 114 60.817 9.712 3.907 1.00 1.57 H new ATOM 0 HD22 LEU A 114 60.417 9.031 2.312 1.00 1.57 H new ATOM 0 HD23 LEU A 114 61.136 10.655 2.432 1.00 1.57 H new ATOM 460 N GLU A 115 57.267 10.441 -1.094 1.00 0.56 N ATOM 461 CA GLU A 115 56.090 10.352 -2.007 1.00 0.64 C ATOM 462 C GLU A 115 56.070 9.005 -2.736 1.00 0.56 C ATOM 463 O GLU A 115 55.033 8.536 -3.162 1.00 0.61 O ATOM 464 CB GLU A 115 56.282 11.495 -3.004 1.00 0.77 C ATOM 465 CG GLU A 115 55.210 12.562 -2.771 1.00 1.54 C ATOM 466 CD GLU A 115 55.283 13.610 -3.883 1.00 2.04 C ATOM 467 OE1 GLU A 115 56.314 13.690 -4.529 1.00 2.67 O ATOM 468 OE2 GLU A 115 54.305 14.316 -4.069 1.00 2.45 O ATOM 0 H GLU A 115 57.848 11.271 -1.215 1.00 0.56 H new ATOM 0 HA GLU A 115 55.146 10.428 -1.467 1.00 0.64 H new ATOM 0 HB2 GLU A 115 57.275 11.930 -2.888 1.00 0.77 H new ATOM 0 HB3 GLU A 115 56.218 11.116 -4.024 1.00 0.77 H new ATOM 0 HG2 GLU A 115 54.222 12.102 -2.754 1.00 1.54 H new ATOM 0 HG3 GLU A 115 55.358 13.035 -1.800 1.00 1.54 H new ATOM 475 N GLU A 116 57.206 8.383 -2.890 1.00 0.49 N ATOM 476 CA GLU A 116 57.248 7.069 -3.598 1.00 0.45 C ATOM 477 C GLU A 116 56.969 5.921 -2.624 1.00 0.43 C ATOM 478 O GLU A 116 56.186 5.035 -2.902 1.00 0.51 O ATOM 479 CB GLU A 116 58.668 6.965 -4.153 1.00 0.42 C ATOM 480 CG GLU A 116 58.819 7.909 -5.346 1.00 0.94 C ATOM 481 CD GLU A 116 60.303 8.114 -5.645 1.00 0.85 C ATOM 482 OE1 GLU A 116 60.992 7.124 -5.824 1.00 1.43 O ATOM 483 OE2 GLU A 116 60.727 9.258 -5.691 1.00 1.28 O ATOM 0 H GLU A 116 58.107 8.726 -2.557 1.00 0.49 H new ATOM 0 HA GLU A 116 56.494 7.004 -4.382 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.392 7.221 -3.379 1.00 0.42 H new ATOM 0 HB3 GLU A 116 58.876 5.940 -4.458 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.315 7.494 -6.219 1.00 0.94 H new ATOM 0 HG3 GLU A 116 58.345 8.866 -5.129 1.00 0.94 H new ATOM 490 N LEU A 117 57.607 5.927 -1.487 1.00 0.37 N ATOM 491 CA LEU A 117 57.380 4.834 -0.500 1.00 0.42 C ATOM 492 C LEU A 117 55.895 4.754 -0.143 1.00 0.50 C ATOM 493 O LEU A 117 55.372 3.696 0.146 1.00 0.58 O ATOM 494 CB LEU A 117 58.210 5.225 0.722 1.00 0.43 C ATOM 495 CG LEU A 117 58.665 3.964 1.458 1.00 0.61 C ATOM 496 CD1 LEU A 117 60.145 3.707 1.166 1.00 0.90 C ATOM 497 CD2 LEU A 117 58.469 4.155 2.964 1.00 1.53 C ATOM 0 H LEU A 117 58.276 6.641 -1.198 1.00 0.37 H new ATOM 0 HA LEU A 117 57.667 3.856 -0.887 1.00 0.42 H new ATOM 0 HB2 LEU A 117 59.076 5.811 0.414 1.00 0.43 H new ATOM 0 HB3 LEU A 117 57.620 5.854 1.388 1.00 0.43 H new ATOM 0 HG LEU A 117 58.075 3.113 1.118 1.00 0.61 H new ATOM 0 HD11 LEU A 117 60.469 2.808 1.691 1.00 0.90 H new ATOM 0 HD12 LEU A 117 60.286 3.572 0.094 1.00 0.90 H new ATOM 0 HD13 LEU A 117 60.736 4.558 1.505 1.00 0.90 H new ATOM 0 HD21 LEU A 117 58.793 3.257 3.490 1.00 1.53 H new ATOM 0 HD22 LEU A 117 59.059 5.007 3.303 1.00 1.53 H new ATOM 0 HD23 LEU A 117 57.415 4.338 3.173 1.00 1.53 H new ATOM 509 N LYS A 118 55.212 5.864 -0.166 1.00 0.52 N ATOM 510 CA LYS A 118 53.761 5.848 0.167 1.00 0.63 C ATOM 511 C LYS A 118 52.979 5.136 -0.939 1.00 0.71 C ATOM 512 O LYS A 118 51.960 4.521 -0.696 1.00 0.83 O ATOM 513 CB LYS A 118 53.354 7.320 0.251 1.00 0.68 C ATOM 514 CG LYS A 118 54.155 8.011 1.357 1.00 1.05 C ATOM 515 CD LYS A 118 53.806 9.500 1.386 1.00 1.33 C ATOM 516 CE LYS A 118 54.850 10.254 2.215 1.00 1.49 C ATOM 517 NZ LYS A 118 54.395 10.126 3.631 1.00 1.82 N ATOM 0 H LYS A 118 55.595 6.780 -0.401 1.00 0.52 H new ATOM 0 HA LYS A 118 53.555 5.318 1.097 1.00 0.63 H new ATOM 0 HB2 LYS A 118 53.534 7.813 -0.704 1.00 0.68 H new ATOM 0 HB3 LYS A 118 52.287 7.402 0.456 1.00 0.68 H new ATOM 0 HG2 LYS A 118 53.931 7.555 2.322 1.00 1.05 H new ATOM 0 HG3 LYS A 118 55.223 7.880 1.183 1.00 1.05 H new ATOM 0 HD2 LYS A 118 53.776 9.897 0.371 1.00 1.33 H new ATOM 0 HD3 LYS A 118 52.814 9.643 1.814 1.00 1.33 H new ATOM 0 HE2 LYS A 118 55.843 9.826 2.081 1.00 1.49 H new ATOM 0 HE3 LYS A 118 54.911 11.300 1.914 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 54.371 11.066 4.074 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 53.443 9.708 3.653 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 55.054 9.514 4.153 1.00 1.82 H new ATOM 531 N ILE A 119 53.452 5.212 -2.153 1.00 0.72 N ATOM 532 CA ILE A 119 52.739 4.536 -3.274 1.00 0.84 C ATOM 533 C ILE A 119 52.960 3.024 -3.198 1.00 0.86 C ATOM 534 O ILE A 119 52.115 2.243 -3.588 1.00 0.96 O ATOM 535 CB ILE A 119 53.364 5.109 -4.545 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.840 6.529 -4.774 1.00 1.00 C ATOM 537 CG2 ILE A 119 52.990 4.229 -5.739 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.358 7.056 -6.112 1.00 1.08 C ATOM 0 H ILE A 119 54.301 5.713 -2.417 1.00 0.72 H new ATOM 0 HA ILE A 119 51.662 4.703 -3.243 1.00 0.84 H new ATOM 0 HB ILE A 119 54.448 5.134 -4.438 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.750 6.531 -4.768 1.00 1.00 H new ATOM 0 HG13 ILE A 119 53.164 7.182 -3.964 1.00 1.00 H new ATOM 0 HG21 ILE A 119 53.436 4.638 -6.646 1.00 1.06 H new ATOM 0 HG22 ILE A 119 53.362 3.217 -5.576 1.00 1.06 H new ATOM 0 HG23 ILE A 119 51.906 4.204 -5.847 1.00 1.06 H new ATOM 0 HD11 ILE A 119 52.984 8.067 -6.274 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.448 7.069 -6.100 1.00 1.08 H new ATOM 0 HD13 ILE A 119 53.012 6.408 -6.917 1.00 1.08 H new ATOM 550 N MET A 120 54.088 2.606 -2.694 1.00 0.82 N ATOM 551 CA MET A 120 54.359 1.143 -2.587 1.00 0.92 C ATOM 552 C MET A 120 53.304 0.486 -1.695 1.00 0.92 C ATOM 553 O MET A 120 52.785 -0.569 -2.001 1.00 1.01 O ATOM 554 CB MET A 120 55.744 1.046 -1.946 1.00 0.96 C ATOM 555 CG MET A 120 55.970 -0.375 -1.428 1.00 1.50 C ATOM 556 SD MET A 120 57.553 -0.451 -0.553 1.00 2.13 S ATOM 557 CE MET A 120 57.298 -2.058 0.239 1.00 2.73 C ATOM 0 H MET A 120 54.833 3.212 -2.352 1.00 0.82 H new ATOM 0 HA MET A 120 54.323 0.637 -3.552 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.512 1.305 -2.675 1.00 0.96 H new ATOM 0 HB3 MET A 120 55.828 1.760 -1.127 1.00 0.96 H new ATOM 0 HG2 MET A 120 55.158 -0.664 -0.760 1.00 1.50 H new ATOM 0 HG3 MET A 120 55.966 -1.081 -2.258 1.00 1.50 H new ATOM 0 HE1 MET A 120 58.233 -2.619 0.233 1.00 2.73 H new ATOM 0 HE2 MET A 120 56.971 -1.909 1.268 1.00 2.73 H new ATOM 0 HE3 MET A 120 56.537 -2.616 -0.306 1.00 2.73 H new ATOM 567 N LEU A 121 52.979 1.109 -0.596 1.00 0.88 N ATOM 568 CA LEU A 121 51.953 0.532 0.319 1.00 0.96 C ATOM 569 C LEU A 121 50.560 0.698 -0.288 1.00 0.99 C ATOM 570 O LEU A 121 49.700 -0.146 -0.133 1.00 1.12 O ATOM 571 CB LEU A 121 52.064 1.351 1.597 1.00 0.98 C ATOM 572 CG LEU A 121 53.517 1.361 2.075 1.00 1.19 C ATOM 573 CD1 LEU A 121 53.591 1.971 3.476 1.00 1.51 C ATOM 574 CD2 LEU A 121 54.047 -0.074 2.115 1.00 1.81 C ATOM 0 H LEU A 121 53.381 1.996 -0.291 1.00 0.88 H new ATOM 0 HA LEU A 121 52.108 -0.532 0.495 1.00 0.96 H new ATOM 0 HB2 LEU A 121 51.722 2.371 1.418 1.00 0.98 H new ATOM 0 HB3 LEU A 121 51.420 0.929 2.368 1.00 0.98 H new ATOM 0 HG LEU A 121 54.122 1.955 1.390 1.00 1.19 H new ATOM 0 HD11 LEU A 121 54.627 1.978 3.816 1.00 1.51 H new ATOM 0 HD12 LEU A 121 53.212 2.992 3.449 1.00 1.51 H new ATOM 0 HD13 LEU A 121 52.988 1.378 4.163 1.00 1.51 H new ATOM 0 HD21 LEU A 121 55.083 -0.070 2.455 1.00 1.81 H new ATOM 0 HD22 LEU A 121 53.442 -0.666 2.801 1.00 1.81 H new ATOM 0 HD23 LEU A 121 53.995 -0.509 1.117 1.00 1.81 H new ATOM 586 N GLN A 122 50.331 1.781 -0.979 1.00 0.95 N ATOM 587 CA GLN A 122 48.995 1.993 -1.598 1.00 1.05 C ATOM 588 C GLN A 122 48.756 0.919 -2.655 1.00 1.12 C ATOM 589 O GLN A 122 47.640 0.503 -2.896 1.00 1.24 O ATOM 590 CB GLN A 122 49.062 3.378 -2.238 1.00 1.07 C ATOM 591 CG GLN A 122 48.110 4.317 -1.500 1.00 1.49 C ATOM 592 CD GLN A 122 48.121 5.691 -2.173 1.00 1.51 C ATOM 593 OE1 GLN A 122 49.161 6.051 -2.875 1.00 2.24 O flip ATOM 594 NE2 GLN A 122 47.175 6.445 -2.060 1.00 1.52 N flip ATOM 0 H GLN A 122 51.010 2.525 -1.141 1.00 0.95 H new ATOM 0 HA GLN A 122 48.180 1.930 -0.876 1.00 1.05 H new ATOM 0 HB2 GLN A 122 50.080 3.764 -2.193 1.00 1.07 H new ATOM 0 HB3 GLN A 122 48.790 3.319 -3.292 1.00 1.07 H new ATOM 0 HG2 GLN A 122 47.100 3.906 -1.506 1.00 1.49 H new ATOM 0 HG3 GLN A 122 48.411 4.410 -0.456 1.00 1.49 H new ATOM 0 HE21 GLN A 122 46.362 6.165 -1.512 1.00 1.52 H new ATOM 0 HE22 GLN A 122 47.194 7.358 -2.513 1.00 1.52 H new ATOM 603 N ALA A 123 49.805 0.455 -3.274 1.00 1.11 N ATOM 604 CA ALA A 123 49.650 -0.609 -4.300 1.00 1.26 C ATOM 605 C ALA A 123 49.329 -1.930 -3.602 1.00 1.39 C ATOM 606 O ALA A 123 48.824 -2.858 -4.201 1.00 1.55 O ATOM 607 CB ALA A 123 51.004 -0.685 -5.006 1.00 1.31 C ATOM 0 H ALA A 123 50.762 0.768 -3.113 1.00 1.11 H new ATOM 0 HA ALA A 123 48.846 -0.405 -5.007 1.00 1.26 H new ATOM 0 HB1 ALA A 123 50.968 -1.451 -5.780 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.232 0.279 -5.460 1.00 1.31 H new ATOM 0 HB3 ALA A 123 51.778 -0.937 -4.282 1.00 1.31 H new ATOM 613 N THR A 124 49.613 -2.011 -2.330 1.00 1.38 N ATOM 614 CA THR A 124 49.317 -3.264 -1.579 1.00 1.59 C ATOM 615 C THR A 124 48.025 -3.099 -0.776 1.00 1.77 C ATOM 616 O THR A 124 47.501 -4.045 -0.220 1.00 2.03 O ATOM 617 CB THR A 124 50.510 -3.466 -0.641 1.00 1.65 C ATOM 618 OG1 THR A 124 51.173 -2.227 -0.439 1.00 2.26 O ATOM 619 CG2 THR A 124 51.482 -4.471 -1.261 1.00 1.97 C ATOM 0 H THR A 124 50.037 -1.264 -1.779 1.00 1.38 H new ATOM 0 HA THR A 124 49.177 -4.118 -2.242 1.00 1.59 H new ATOM 0 HB THR A 124 50.156 -3.846 0.317 1.00 1.65 H new ATOM 0 HG1 THR A 124 50.580 -1.613 0.043 1.00 2.26 H new ATOM 0 HG21 THR A 124 52.331 -4.615 -0.593 1.00 1.97 H new ATOM 0 HG22 THR A 124 50.974 -5.423 -1.412 1.00 1.97 H new ATOM 0 HG23 THR A 124 51.835 -4.092 -2.220 1.00 1.97 H new ATOM 627 N GLY A 125 47.504 -1.902 -0.710 1.00 1.74 N ATOM 628 CA GLY A 125 46.245 -1.677 0.056 1.00 2.07 C ATOM 629 C GLY A 125 45.998 -0.175 0.198 1.00 1.64 C ATOM 630 O GLY A 125 46.659 0.633 -0.423 1.00 2.16 O ATOM 0 H GLY A 125 47.896 -1.071 -1.153 1.00 1.74 H new ATOM 0 HA2 GLY A 125 45.406 -2.148 -0.456 1.00 2.07 H new ATOM 0 HA3 GLY A 125 46.318 -2.139 1.040 1.00 2.07 H new ATOM 634 N GLU A 126 45.051 0.207 1.009 1.00 1.68 N ATOM 635 CA GLU A 126 44.765 1.659 1.187 1.00 1.94 C ATOM 636 C GLU A 126 45.714 2.261 2.225 1.00 1.76 C ATOM 637 O GLU A 126 45.571 3.402 2.618 1.00 2.42 O ATOM 638 CB GLU A 126 43.323 1.723 1.688 1.00 2.83 C ATOM 639 CG GLU A 126 42.422 2.278 0.584 1.00 3.43 C ATOM 640 CD GLU A 126 40.967 2.254 1.054 1.00 4.44 C ATOM 641 OE1 GLU A 126 40.572 3.182 1.740 1.00 5.02 O ATOM 642 OE2 GLU A 126 40.272 1.308 0.721 1.00 4.97 O ATOM 0 H GLU A 126 44.463 -0.422 1.556 1.00 1.68 H new ATOM 0 HA GLU A 126 44.902 2.220 0.263 1.00 1.94 H new ATOM 0 HB2 GLU A 126 42.985 0.729 1.982 1.00 2.83 H new ATOM 0 HB3 GLU A 126 43.262 2.356 2.574 1.00 2.83 H new ATOM 0 HG2 GLU A 126 42.718 3.297 0.336 1.00 3.43 H new ATOM 0 HG3 GLU A 126 42.532 1.684 -0.323 1.00 3.43 H new ATOM 649 N THR A 127 46.677 1.500 2.672 1.00 1.67 N ATOM 650 CA THR A 127 47.638 2.020 3.688 1.00 1.97 C ATOM 651 C THR A 127 46.901 2.880 4.724 1.00 1.60 C ATOM 652 O THR A 127 45.731 2.682 4.984 1.00 1.70 O ATOM 653 CB THR A 127 48.650 2.849 2.890 1.00 2.78 C ATOM 654 OG1 THR A 127 49.788 3.118 3.697 1.00 3.37 O ATOM 655 CG2 THR A 127 48.014 4.169 2.445 1.00 3.72 C ATOM 0 H THR A 127 46.840 0.538 2.376 1.00 1.67 H new ATOM 0 HA THR A 127 48.129 1.223 4.246 1.00 1.97 H new ATOM 0 HB THR A 127 48.954 2.285 2.008 1.00 2.78 H new ATOM 0 HG1 THR A 127 50.600 3.038 3.154 1.00 3.37 H new ATOM 0 HG21 THR A 127 48.741 4.751 1.879 1.00 3.72 H new ATOM 0 HG22 THR A 127 47.147 3.962 1.817 1.00 3.72 H new ATOM 0 HG23 THR A 127 47.700 4.735 3.322 1.00 3.72 H new ATOM 663 N ILE A 128 47.572 3.829 5.314 1.00 1.39 N ATOM 664 CA ILE A 128 46.904 4.693 6.329 1.00 1.35 C ATOM 665 C ILE A 128 47.064 6.169 5.957 1.00 1.27 C ATOM 666 O ILE A 128 46.242 6.738 5.265 1.00 1.39 O ATOM 667 CB ILE A 128 47.625 4.391 7.642 1.00 1.59 C ATOM 668 CG1 ILE A 128 47.280 2.971 8.097 1.00 2.00 C ATOM 669 CG2 ILE A 128 47.182 5.391 8.712 1.00 2.58 C ATOM 670 CD1 ILE A 128 48.440 2.032 7.764 1.00 2.44 C ATOM 0 H ILE A 128 48.553 4.044 5.138 1.00 1.39 H new ATOM 0 HA ILE A 128 45.834 4.497 6.396 1.00 1.35 H new ATOM 0 HB ILE A 128 48.701 4.475 7.492 1.00 1.59 H new ATOM 0 HG12 ILE A 128 47.085 2.959 9.169 1.00 2.00 H new ATOM 0 HG13 ILE A 128 46.370 2.631 7.603 1.00 2.00 H new ATOM 0 HG21 ILE A 128 47.697 5.174 9.648 1.00 2.58 H new ATOM 0 HG22 ILE A 128 47.427 6.403 8.388 1.00 2.58 H new ATOM 0 HG23 ILE A 128 46.106 5.309 8.863 1.00 2.58 H new ATOM 0 HD11 ILE A 128 48.194 1.021 8.088 1.00 2.44 H new ATOM 0 HD12 ILE A 128 48.614 2.036 6.688 1.00 2.44 H new ATOM 0 HD13 ILE A 128 49.340 2.369 8.278 1.00 2.44 H new ATOM 682 N THR A 129 48.116 6.794 6.410 1.00 1.18 N ATOM 683 CA THR A 129 48.328 8.233 6.083 1.00 1.21 C ATOM 684 C THR A 129 49.809 8.595 6.221 1.00 1.10 C ATOM 685 O THR A 129 50.613 7.803 6.673 1.00 1.04 O ATOM 686 CB THR A 129 47.491 9.003 7.107 1.00 1.37 C ATOM 687 OG1 THR A 129 47.118 8.132 8.166 1.00 1.63 O ATOM 688 CG2 THR A 129 46.234 9.553 6.431 1.00 1.63 C ATOM 0 H THR A 129 48.838 6.371 6.993 1.00 1.18 H new ATOM 0 HA THR A 129 48.037 8.469 5.059 1.00 1.21 H new ATOM 0 HB THR A 129 48.078 9.830 7.507 1.00 1.37 H new ATOM 0 HG1 THR A 129 47.794 8.170 8.874 1.00 1.63 H new ATOM 0 HG21 THR A 129 45.639 10.101 7.161 1.00 1.63 H new ATOM 0 HG22 THR A 129 46.520 10.223 5.620 1.00 1.63 H new ATOM 0 HG23 THR A 129 45.646 8.728 6.030 1.00 1.63 H new ATOM 696 N GLU A 130 50.177 9.786 5.837 1.00 1.13 N ATOM 697 CA GLU A 130 51.605 10.199 5.946 1.00 1.09 C ATOM 698 C GLU A 130 52.028 10.254 7.416 1.00 1.03 C ATOM 699 O GLU A 130 53.192 10.393 7.733 1.00 0.98 O ATOM 700 CB GLU A 130 51.663 11.591 5.319 1.00 1.23 C ATOM 701 CG GLU A 130 51.176 11.519 3.871 1.00 1.68 C ATOM 702 CD GLU A 130 50.102 12.584 3.639 1.00 2.20 C ATOM 703 OE1 GLU A 130 49.150 12.611 4.401 1.00 2.77 O ATOM 704 OE2 GLU A 130 50.252 13.355 2.705 1.00 2.66 O ATOM 0 H GLU A 130 49.550 10.492 5.452 1.00 1.13 H new ATOM 0 HA GLU A 130 52.277 9.500 5.448 1.00 1.09 H new ATOM 0 HB2 GLU A 130 51.043 12.284 5.888 1.00 1.23 H new ATOM 0 HB3 GLU A 130 52.683 11.974 5.352 1.00 1.23 H new ATOM 0 HG2 GLU A 130 52.011 11.674 3.187 1.00 1.68 H new ATOM 0 HG3 GLU A 130 50.772 10.529 3.661 1.00 1.68 H new ATOM 711 N ASP A 131 51.089 10.147 8.316 1.00 1.08 N ATOM 712 CA ASP A 131 51.438 10.194 9.765 1.00 1.10 C ATOM 713 C ASP A 131 52.052 8.863 10.208 1.00 0.95 C ATOM 714 O ASP A 131 53.002 8.830 10.966 1.00 0.88 O ATOM 715 CB ASP A 131 50.110 10.438 10.484 1.00 1.27 C ATOM 716 CG ASP A 131 49.503 11.757 10.004 1.00 1.65 C ATOM 717 OD1 ASP A 131 50.215 12.749 10.000 1.00 2.28 O ATOM 718 OD2 ASP A 131 48.336 11.755 9.646 1.00 2.09 O ATOM 0 H ASP A 131 50.097 10.029 8.111 1.00 1.08 H new ATOM 0 HA ASP A 131 52.171 10.969 9.987 1.00 1.10 H new ATOM 0 HB2 ASP A 131 49.422 9.616 10.287 1.00 1.27 H new ATOM 0 HB3 ASP A 131 50.269 10.470 11.562 1.00 1.27 H new ATOM 723 N ASP A 132 51.517 7.767 9.745 1.00 0.96 N ATOM 724 CA ASP A 132 52.070 6.439 10.143 1.00 0.88 C ATOM 725 C ASP A 132 53.128 5.976 9.137 1.00 0.76 C ATOM 726 O ASP A 132 53.956 5.140 9.436 1.00 0.72 O ATOM 727 CB ASP A 132 50.868 5.493 10.132 1.00 0.99 C ATOM 728 CG ASP A 132 50.177 5.529 11.497 1.00 1.31 C ATOM 729 OD1 ASP A 132 50.689 6.198 12.380 1.00 1.70 O ATOM 730 OD2 ASP A 132 49.149 4.888 11.635 1.00 1.95 O ATOM 0 H ASP A 132 50.721 7.732 9.108 1.00 0.96 H new ATOM 0 HA ASP A 132 52.557 6.471 11.117 1.00 0.88 H new ATOM 0 HB2 ASP A 132 50.168 5.787 9.350 1.00 0.99 H new ATOM 0 HB3 ASP A 132 51.193 4.478 9.904 1.00 0.99 H new ATOM 735 N ILE A 133 53.105 6.512 7.947 1.00 0.78 N ATOM 736 CA ILE A 133 54.109 6.097 6.924 1.00 0.73 C ATOM 737 C ILE A 133 55.415 6.875 7.113 1.00 0.66 C ATOM 738 O ILE A 133 56.494 6.322 7.036 1.00 0.63 O ATOM 739 CB ILE A 133 53.470 6.446 5.580 1.00 0.84 C ATOM 740 CG1 ILE A 133 52.305 5.492 5.308 1.00 0.91 C ATOM 741 CG2 ILE A 133 54.510 6.306 4.468 1.00 1.14 C ATOM 742 CD1 ILE A 133 51.695 5.808 3.940 1.00 0.96 C ATOM 0 H ILE A 133 52.436 7.218 7.639 1.00 0.78 H new ATOM 0 HA ILE A 133 54.358 5.038 6.997 1.00 0.73 H new ATOM 0 HB ILE A 133 53.104 7.472 5.608 1.00 0.84 H new ATOM 0 HG12 ILE A 133 52.653 4.459 5.333 1.00 0.91 H new ATOM 0 HG13 ILE A 133 51.549 5.592 6.087 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.054 6.555 3.510 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.342 6.983 4.661 1.00 1.14 H new ATOM 0 HG23 ILE A 133 54.876 5.280 4.440 1.00 1.14 H new ATOM 0 HD11 ILE A 133 50.865 5.129 3.746 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.332 6.836 3.932 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.453 5.685 3.166 1.00 0.96 H new ATOM 754 N GLU A 134 55.324 8.153 7.359 1.00 0.73 N ATOM 755 CA GLU A 134 56.559 8.966 7.550 1.00 0.77 C ATOM 756 C GLU A 134 57.455 8.330 8.618 1.00 0.70 C ATOM 757 O GLU A 134 58.664 8.316 8.501 1.00 0.68 O ATOM 758 CB GLU A 134 56.061 10.333 8.017 1.00 0.96 C ATOM 759 CG GLU A 134 55.826 11.235 6.804 1.00 0.95 C ATOM 760 CD GLU A 134 56.327 12.647 7.112 1.00 1.60 C ATOM 761 OE1 GLU A 134 55.584 13.397 7.724 1.00 2.27 O ATOM 762 OE2 GLU A 134 57.445 12.953 6.733 1.00 2.07 O ATOM 0 H GLU A 134 54.448 8.670 7.436 1.00 0.73 H new ATOM 0 HA GLU A 134 57.153 9.035 6.638 1.00 0.77 H new ATOM 0 HB2 GLU A 134 55.137 10.220 8.584 1.00 0.96 H new ATOM 0 HB3 GLU A 134 56.791 10.789 8.686 1.00 0.96 H new ATOM 0 HG2 GLU A 134 56.347 10.835 5.934 1.00 0.95 H new ATOM 0 HG3 GLU A 134 54.765 11.260 6.557 1.00 0.95 H new ATOM 769 N GLU A 135 56.870 7.807 9.660 1.00 0.74 N ATOM 770 CA GLU A 135 57.686 7.176 10.736 1.00 0.76 C ATOM 771 C GLU A 135 58.638 6.132 10.144 1.00 0.66 C ATOM 772 O GLU A 135 59.823 6.136 10.412 1.00 0.74 O ATOM 773 CB GLU A 135 56.669 6.512 11.666 1.00 0.88 C ATOM 774 CG GLU A 135 56.311 7.474 12.801 1.00 1.20 C ATOM 775 CD GLU A 135 55.963 6.677 14.058 1.00 1.48 C ATOM 776 OE1 GLU A 135 56.842 6.005 14.572 1.00 1.95 O ATOM 777 OE2 GLU A 135 54.823 6.751 14.486 1.00 2.16 O ATOM 0 H GLU A 135 55.862 7.789 9.813 1.00 0.74 H new ATOM 0 HA GLU A 135 58.306 7.903 11.261 1.00 0.76 H new ATOM 0 HB2 GLU A 135 55.773 6.241 11.108 1.00 0.88 H new ATOM 0 HB3 GLU A 135 57.081 5.589 12.074 1.00 0.88 H new ATOM 0 HG2 GLU A 135 57.148 8.143 13.002 1.00 1.20 H new ATOM 0 HG3 GLU A 135 55.467 8.099 12.509 1.00 1.20 H new ATOM 784 N LEU A 136 58.129 5.237 9.343 1.00 0.62 N ATOM 785 CA LEU A 136 59.006 4.193 8.737 1.00 0.66 C ATOM 786 C LEU A 136 60.157 4.843 7.963 1.00 0.61 C ATOM 787 O LEU A 136 61.316 4.615 8.246 1.00 0.70 O ATOM 788 CB LEU A 136 58.096 3.415 7.787 1.00 0.77 C ATOM 789 CG LEU A 136 58.008 1.957 8.243 1.00 0.86 C ATOM 790 CD1 LEU A 136 56.912 1.241 7.453 1.00 1.63 C ATOM 791 CD2 LEU A 136 59.350 1.264 7.994 1.00 1.38 C ATOM 0 H LEU A 136 57.145 5.183 9.081 1.00 0.62 H new ATOM 0 HA LEU A 136 59.458 3.549 9.492 1.00 0.66 H new ATOM 0 HB2 LEU A 136 57.102 3.862 7.771 1.00 0.77 H new ATOM 0 HB3 LEU A 136 58.485 3.466 6.770 1.00 0.77 H new ATOM 0 HG LEU A 136 57.771 1.922 9.306 1.00 0.86 H new ATOM 0 HD11 LEU A 136 56.849 0.202 7.778 1.00 1.63 H new ATOM 0 HD12 LEU A 136 55.956 1.734 7.628 1.00 1.63 H new ATOM 0 HD13 LEU A 136 57.149 1.275 6.390 1.00 1.63 H new ATOM 0 HD21 LEU A 136 59.289 0.225 8.318 1.00 1.38 H new ATOM 0 HD22 LEU A 136 59.586 1.299 6.930 1.00 1.38 H new ATOM 0 HD23 LEU A 136 60.133 1.774 8.556 1.00 1.38 H new ATOM 803 N MET A 137 59.845 5.648 6.984 1.00 0.55 N ATOM 804 CA MET A 137 60.920 6.308 6.188 1.00 0.59 C ATOM 805 C MET A 137 61.982 6.906 7.116 1.00 0.65 C ATOM 806 O MET A 137 63.165 6.846 6.842 1.00 0.81 O ATOM 807 CB MET A 137 60.212 7.410 5.403 1.00 0.60 C ATOM 808 CG MET A 137 60.157 7.026 3.923 1.00 0.96 C ATOM 809 SD MET A 137 61.801 7.211 3.190 1.00 1.23 S ATOM 810 CE MET A 137 61.368 6.651 1.524 1.00 1.35 C ATOM 0 H MET A 137 58.892 5.877 6.701 1.00 0.55 H new ATOM 0 HA MET A 137 61.435 5.606 5.532 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.203 7.556 5.790 1.00 0.60 H new ATOM 0 HB3 MET A 137 60.740 8.355 5.525 1.00 0.60 H new ATOM 0 HG2 MET A 137 59.813 5.997 3.816 1.00 0.96 H new ATOM 0 HG3 MET A 137 59.440 7.658 3.399 1.00 0.96 H new ATOM 0 HE1 MET A 137 62.009 7.148 0.795 1.00 1.35 H new ATOM 0 HE2 MET A 137 61.508 5.572 1.455 1.00 1.35 H new ATOM 0 HE3 MET A 137 60.326 6.896 1.317 1.00 1.35 H new ATOM 820 N LYS A 138 61.571 7.480 8.213 1.00 0.62 N ATOM 821 CA LYS A 138 62.561 8.080 9.154 1.00 0.79 C ATOM 822 C LYS A 138 63.638 7.054 9.514 1.00 0.86 C ATOM 823 O LYS A 138 64.802 7.228 9.209 1.00 1.16 O ATOM 824 CB LYS A 138 61.748 8.460 10.393 1.00 0.87 C ATOM 825 CG LYS A 138 61.614 9.983 10.470 1.00 1.55 C ATOM 826 CD LYS A 138 63.005 10.620 10.443 1.00 2.07 C ATOM 827 CE LYS A 138 63.004 11.884 11.305 1.00 2.85 C ATOM 828 NZ LYS A 138 63.885 11.562 12.461 1.00 3.36 N ATOM 0 H LYS A 138 60.595 7.560 8.499 1.00 0.62 H new ATOM 0 HA LYS A 138 63.073 8.940 8.722 1.00 0.79 H new ATOM 0 HB2 LYS A 138 60.761 7.999 10.348 1.00 0.87 H new ATOM 0 HB3 LYS A 138 62.236 8.082 11.291 1.00 0.87 H new ATOM 0 HG2 LYS A 138 61.019 10.349 9.634 1.00 1.55 H new ATOM 0 HG3 LYS A 138 61.090 10.267 11.383 1.00 1.55 H new ATOM 0 HD2 LYS A 138 63.747 9.914 10.815 1.00 2.07 H new ATOM 0 HD3 LYS A 138 63.284 10.866 9.418 1.00 2.07 H new ATOM 0 HE2 LYS A 138 63.381 12.742 10.748 1.00 2.85 H new ATOM 0 HE3 LYS A 138 61.996 12.136 11.635 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 63.935 12.382 13.099 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 63.497 10.746 12.976 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 64.839 11.333 12.117 1.00 3.36 H new ATOM 842 N ASP A 139 63.260 5.986 10.161 1.00 0.71 N ATOM 843 CA ASP A 139 64.262 4.949 10.543 1.00 0.85 C ATOM 844 C ASP A 139 64.732 4.181 9.305 1.00 0.85 C ATOM 845 O ASP A 139 65.588 3.322 9.385 1.00 1.02 O ATOM 846 CB ASP A 139 63.519 4.019 11.502 1.00 0.97 C ATOM 847 CG ASP A 139 63.427 4.676 12.881 1.00 1.50 C ATOM 848 OD1 ASP A 139 64.379 5.334 13.266 1.00 1.80 O ATOM 849 OD2 ASP A 139 62.406 4.509 13.528 1.00 2.33 O ATOM 0 H ASP A 139 62.300 5.786 10.442 1.00 0.71 H new ATOM 0 HA ASP A 139 65.151 5.383 11.000 1.00 0.85 H new ATOM 0 HB2 ASP A 139 62.520 3.808 11.120 1.00 0.97 H new ATOM 0 HB3 ASP A 139 64.040 3.064 11.576 1.00 0.97 H new ATOM 854 N GLY A 140 64.181 4.482 8.163 1.00 0.81 N ATOM 855 CA GLY A 140 64.599 3.769 6.922 1.00 0.86 C ATOM 856 C GLY A 140 65.768 4.511 6.274 1.00 0.77 C ATOM 857 O GLY A 140 66.551 3.938 5.544 1.00 0.86 O ATOM 0 H GLY A 140 63.459 5.191 8.034 1.00 0.81 H new ATOM 0 HA2 GLY A 140 64.891 2.746 7.159 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.763 3.709 6.226 1.00 0.86 H new ATOM 861 N ASP A 141 65.890 5.783 6.534 1.00 0.70 N ATOM 862 CA ASP A 141 67.009 6.564 5.932 1.00 0.66 C ATOM 863 C ASP A 141 68.307 6.308 6.702 1.00 0.74 C ATOM 864 O ASP A 141 68.580 6.937 7.704 1.00 0.87 O ATOM 865 CB ASP A 141 66.586 8.028 6.067 1.00 0.66 C ATOM 866 CG ASP A 141 66.387 8.635 4.677 1.00 0.76 C ATOM 867 OD1 ASP A 141 66.393 7.883 3.717 1.00 0.92 O ATOM 868 OD2 ASP A 141 66.232 9.843 4.597 1.00 0.83 O ATOM 0 H ASP A 141 65.264 6.316 7.137 1.00 0.70 H new ATOM 0 HA ASP A 141 67.195 6.287 4.895 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.662 8.099 6.641 1.00 0.66 H new ATOM 0 HB3 ASP A 141 67.345 8.587 6.614 1.00 0.66 H new ATOM 873 N LYS A 142 69.111 5.388 6.241 1.00 0.75 N ATOM 874 CA LYS A 142 70.391 5.095 6.949 1.00 0.87 C ATOM 875 C LYS A 142 71.344 6.288 6.832 1.00 0.89 C ATOM 876 O LYS A 142 72.341 6.367 7.520 1.00 1.05 O ATOM 877 CB LYS A 142 70.967 3.875 6.232 1.00 0.89 C ATOM 878 CG LYS A 142 71.351 2.811 7.262 1.00 1.24 C ATOM 879 CD LYS A 142 72.714 3.154 7.867 1.00 1.26 C ATOM 880 CE LYS A 142 73.112 2.073 8.875 1.00 1.55 C ATOM 881 NZ LYS A 142 72.363 2.412 10.117 1.00 1.99 N ATOM 0 H LYS A 142 68.938 4.828 5.407 1.00 0.75 H new ATOM 0 HA LYS A 142 70.244 4.910 8.013 1.00 0.87 H new ATOM 0 HB2 LYS A 142 70.235 3.472 5.533 1.00 0.89 H new ATOM 0 HB3 LYS A 142 71.841 4.163 5.648 1.00 0.89 H new ATOM 0 HG2 LYS A 142 70.596 2.760 8.046 1.00 1.24 H new ATOM 0 HG3 LYS A 142 71.388 1.829 6.790 1.00 1.24 H new ATOM 0 HD2 LYS A 142 73.465 3.227 7.080 1.00 1.26 H new ATOM 0 HD3 LYS A 142 72.672 4.126 8.358 1.00 1.26 H new ATOM 0 HE2 LYS A 142 72.848 1.079 8.513 1.00 1.55 H new ATOM 0 HE3 LYS A 142 74.188 2.073 9.050 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 73.034 2.683 10.864 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 71.717 3.205 9.927 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 71.814 1.585 10.428 1.00 1.99 H new ATOM 895 N ASN A 143 71.045 7.216 5.964 1.00 0.85 N ATOM 896 CA ASN A 143 71.934 8.402 5.804 1.00 1.05 C ATOM 897 C ASN A 143 71.118 9.693 5.896 1.00 1.07 C ATOM 898 O ASN A 143 71.655 10.782 5.872 1.00 1.56 O ATOM 899 CB ASN A 143 72.547 8.252 4.411 1.00 1.08 C ATOM 900 CG ASN A 143 71.469 8.484 3.351 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.298 8.570 3.667 1.00 0.98 O ATOM 902 ND2 ASN A 143 71.815 8.590 2.097 1.00 1.48 N ATOM 0 H ASN A 143 70.224 7.204 5.359 1.00 0.85 H new ATOM 0 HA ASN A 143 72.696 8.454 6.581 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.360 8.967 4.281 1.00 1.08 H new ATOM 0 HB3 ASN A 143 72.976 7.257 4.296 1.00 1.08 H new ATOM 0 HD21 ASN A 143 71.103 8.745 1.383 1.00 1.48 H new ATOM 0 HD22 ASN A 143 72.797 8.518 1.831 1.00 1.48 H new ATOM 909 N ASN A 144 69.822 9.581 6.003 1.00 0.78 N ATOM 910 CA ASN A 144 68.973 10.802 6.097 1.00 0.82 C ATOM 911 C ASN A 144 69.273 11.747 4.930 1.00 0.82 C ATOM 912 O ASN A 144 69.955 12.742 5.083 1.00 0.92 O ATOM 913 CB ASN A 144 69.359 11.452 7.426 1.00 0.95 C ATOM 914 CG ASN A 144 68.874 10.578 8.583 1.00 1.47 C ATOM 915 OD1 ASN A 144 67.959 9.794 8.426 1.00 2.28 O ATOM 916 ND2 ASN A 144 69.452 10.680 9.748 1.00 1.93 N ATOM 0 H ASN A 144 69.315 8.697 6.029 1.00 0.78 H new ATOM 0 HA ASN A 144 67.909 10.569 6.051 1.00 0.82 H new ATOM 0 HB2 ASN A 144 70.440 11.578 7.480 1.00 0.95 H new ATOM 0 HB3 ASN A 144 68.918 12.446 7.498 1.00 0.95 H new ATOM 0 HD21 ASN A 144 69.136 10.102 10.527 1.00 1.93 H new ATOM 0 HD22 ASN A 144 70.220 11.338 9.880 1.00 1.93 H new ATOM 923 N ASP A 145 68.768 11.445 3.765 1.00 0.75 N ATOM 924 CA ASP A 145 69.024 12.328 2.590 1.00 0.78 C ATOM 925 C ASP A 145 67.739 12.509 1.777 1.00 0.74 C ATOM 926 O ASP A 145 67.741 13.110 0.720 1.00 0.81 O ATOM 927 CB ASP A 145 70.083 11.595 1.765 1.00 0.76 C ATOM 928 CG ASP A 145 69.460 10.361 1.111 1.00 1.12 C ATOM 929 OD1 ASP A 145 68.819 9.600 1.817 1.00 1.72 O ATOM 930 OD2 ASP A 145 69.637 10.197 -0.085 1.00 1.85 O ATOM 0 H ASP A 145 68.190 10.626 3.575 1.00 0.75 H new ATOM 0 HA ASP A 145 69.356 13.323 2.885 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.487 12.259 1.001 1.00 0.76 H new ATOM 0 HB3 ASP A 145 70.916 11.300 2.403 1.00 0.76 H new ATOM 935 N GLY A 146 66.641 11.997 2.264 1.00 0.69 N ATOM 936 CA GLY A 146 65.356 12.141 1.523 1.00 0.70 C ATOM 937 C GLY A 146 65.100 10.887 0.685 1.00 0.58 C ATOM 938 O GLY A 146 64.041 10.295 0.747 1.00 0.62 O ATOM 0 H GLY A 146 66.579 11.485 3.144 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.536 12.295 2.224 1.00 0.70 H new ATOM 0 HA3 GLY A 146 65.393 13.019 0.879 1.00 0.70 H new ATOM 942 N ARG A 147 66.059 10.477 -0.099 1.00 0.54 N ATOM 943 CA ARG A 147 65.864 9.261 -0.941 1.00 0.49 C ATOM 944 C ARG A 147 66.445 8.031 -0.239 1.00 0.44 C ATOM 945 O ARG A 147 67.171 8.139 0.730 1.00 0.56 O ATOM 946 CB ARG A 147 66.624 9.544 -2.240 1.00 0.57 C ATOM 947 CG ARG A 147 66.373 10.987 -2.684 1.00 0.78 C ATOM 948 CD ARG A 147 65.855 10.998 -4.124 1.00 0.73 C ATOM 949 NE ARG A 147 64.903 12.143 -4.182 1.00 1.07 N ATOM 950 CZ ARG A 147 65.310 13.311 -4.600 1.00 1.60 C ATOM 951 NH1 ARG A 147 66.063 13.396 -5.662 1.00 2.22 N ATOM 952 NH2 ARG A 147 64.963 14.392 -3.958 1.00 2.32 N ATOM 0 H ARG A 147 66.968 10.930 -0.194 1.00 0.54 H new ATOM 0 HA ARG A 147 64.809 9.055 -1.124 1.00 0.49 H new ATOM 0 HB2 ARG A 147 67.691 9.380 -2.091 1.00 0.57 H new ATOM 0 HB3 ARG A 147 66.301 8.853 -3.019 1.00 0.57 H new ATOM 0 HG2 ARG A 147 65.648 11.461 -2.022 1.00 0.78 H new ATOM 0 HG3 ARG A 147 67.294 11.565 -2.614 1.00 0.78 H new ATOM 0 HD2 ARG A 147 66.670 11.126 -4.836 1.00 0.73 H new ATOM 0 HD3 ARG A 147 65.359 10.060 -4.372 1.00 0.73 H new ATOM 0 HE ARG A 147 63.933 12.014 -3.895 1.00 1.07 H new ATOM 0 HH11 ARG A 147 66.333 12.551 -6.165 1.00 2.22 H new ATOM 0 HH12 ARG A 147 66.382 14.308 -5.990 1.00 2.22 H new ATOM 0 HH21 ARG A 147 64.373 14.325 -3.129 1.00 2.32 H new ATOM 0 HH22 ARG A 147 65.282 15.304 -4.285 1.00 2.32 H new ATOM 966 N ILE A 148 66.134 6.860 -0.725 1.00 0.35 N ATOM 967 CA ILE A 148 66.671 5.619 -0.093 1.00 0.36 C ATOM 968 C ILE A 148 67.262 4.703 -1.171 1.00 0.40 C ATOM 969 O ILE A 148 66.635 4.421 -2.172 1.00 0.41 O ATOM 970 CB ILE A 148 65.460 4.967 0.591 1.00 0.35 C ATOM 971 CG1 ILE A 148 65.299 5.555 1.995 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.667 3.450 0.698 1.00 0.43 C ATOM 973 CD1 ILE A 148 64.180 4.820 2.738 1.00 0.40 C ATOM 0 H ILE A 148 65.531 6.708 -1.533 1.00 0.35 H new ATOM 0 HA ILE A 148 67.470 5.819 0.621 1.00 0.36 H new ATOM 0 HB ILE A 148 64.566 5.163 -0.001 1.00 0.35 H new ATOM 0 HG12 ILE A 148 66.235 5.465 2.547 1.00 0.40 H new ATOM 0 HG13 ILE A 148 65.068 6.618 1.930 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.802 2.998 1.184 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.784 3.027 -0.300 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.562 3.245 1.286 1.00 0.43 H new ATOM 0 HD11 ILE A 148 64.069 5.242 3.737 1.00 0.40 H new ATOM 0 HD12 ILE A 148 63.244 4.933 2.190 1.00 0.40 H new ATOM 0 HD13 ILE A 148 64.429 3.762 2.816 1.00 0.40 H new ATOM 985 N ASP A 149 68.463 4.235 -0.970 1.00 0.47 N ATOM 986 CA ASP A 149 69.091 3.337 -1.982 1.00 0.55 C ATOM 987 C ASP A 149 68.864 1.870 -1.598 1.00 0.58 C ATOM 988 O ASP A 149 68.205 1.571 -0.624 1.00 0.54 O ATOM 989 CB ASP A 149 70.582 3.682 -1.957 1.00 0.65 C ATOM 990 CG ASP A 149 71.094 3.651 -0.516 1.00 1.32 C ATOM 991 OD1 ASP A 149 71.031 4.681 0.135 1.00 2.16 O ATOM 992 OD2 ASP A 149 71.539 2.600 -0.091 1.00 2.00 O ATOM 0 H ASP A 149 69.037 4.435 -0.150 1.00 0.47 H new ATOM 0 HA ASP A 149 68.665 3.473 -2.976 1.00 0.55 H new ATOM 0 HB2 ASP A 149 71.140 2.971 -2.567 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.744 4.669 -2.390 1.00 0.65 H new ATOM 997 N TYR A 150 69.398 0.955 -2.362 1.00 0.67 N ATOM 998 CA TYR A 150 69.202 -0.489 -2.043 1.00 0.73 C ATOM 999 C TYR A 150 69.730 -0.807 -0.641 1.00 0.75 C ATOM 1000 O TYR A 150 69.259 -1.712 0.019 1.00 0.76 O ATOM 1001 CB TYR A 150 70.009 -1.245 -3.100 1.00 0.84 C ATOM 1002 CG TYR A 150 69.838 -2.732 -2.892 1.00 0.97 C ATOM 1003 CD1 TYR A 150 68.565 -3.262 -2.649 1.00 1.63 C ATOM 1004 CD2 TYR A 150 70.951 -3.578 -2.940 1.00 1.74 C ATOM 1005 CE1 TYR A 150 68.406 -4.639 -2.455 1.00 2.06 C ATOM 1006 CE2 TYR A 150 70.793 -4.956 -2.746 1.00 2.14 C ATOM 1007 CZ TYR A 150 69.520 -5.487 -2.503 1.00 2.02 C ATOM 1008 OH TYR A 150 69.362 -6.843 -2.311 1.00 2.63 O ATOM 0 H TYR A 150 69.960 1.144 -3.192 1.00 0.67 H new ATOM 0 HA TYR A 150 68.148 -0.768 -2.054 1.00 0.73 H new ATOM 0 HB2 TYR A 150 69.674 -0.965 -4.099 1.00 0.84 H new ATOM 0 HB3 TYR A 150 71.063 -0.976 -3.031 1.00 0.84 H new ATOM 0 HD1 TYR A 150 67.706 -2.608 -2.611 1.00 1.63 H new ATOM 0 HD2 TYR A 150 71.933 -3.168 -3.127 1.00 1.74 H new ATOM 0 HE1 TYR A 150 67.424 -5.048 -2.268 1.00 2.06 H new ATOM 0 HE2 TYR A 150 71.652 -5.609 -2.784 1.00 2.14 H new ATOM 0 HH TYR A 150 70.233 -7.286 -2.377 1.00 2.63 H new ATOM 1018 N ASP A 151 70.705 -0.072 -0.179 1.00 0.78 N ATOM 1019 CA ASP A 151 71.257 -0.341 1.181 1.00 0.82 C ATOM 1020 C ASP A 151 70.280 0.151 2.250 1.00 0.74 C ATOM 1021 O ASP A 151 69.727 -0.626 3.005 1.00 0.76 O ATOM 1022 CB ASP A 151 72.569 0.446 1.255 1.00 0.87 C ATOM 1023 CG ASP A 151 73.316 0.340 -0.077 1.00 1.31 C ATOM 1024 OD1 ASP A 151 73.357 -0.749 -0.626 1.00 1.67 O ATOM 1025 OD2 ASP A 151 73.833 1.351 -0.525 1.00 2.08 O ATOM 0 H ASP A 151 71.142 0.700 -0.682 1.00 0.78 H new ATOM 0 HA ASP A 151 71.416 -1.405 1.353 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.364 1.492 1.484 1.00 0.87 H new ATOM 0 HB3 ASP A 151 73.191 0.059 2.062 1.00 0.87 H new ATOM 1030 N GLU A 152 70.061 1.436 2.321 1.00 0.67 N ATOM 1031 CA GLU A 152 69.118 1.975 3.342 1.00 0.61 C ATOM 1032 C GLU A 152 67.788 1.220 3.279 1.00 0.58 C ATOM 1033 O GLU A 152 67.073 1.121 4.255 1.00 0.58 O ATOM 1034 CB GLU A 152 68.919 3.443 2.964 1.00 0.59 C ATOM 1035 CG GLU A 152 70.273 4.155 2.948 1.00 0.76 C ATOM 1036 CD GLU A 152 70.054 5.668 2.954 1.00 0.75 C ATOM 1037 OE1 GLU A 152 69.267 6.130 3.764 1.00 1.39 O ATOM 1038 OE2 GLU A 152 70.676 6.341 2.148 1.00 1.20 O ATOM 0 H GLU A 152 70.494 2.135 1.717 1.00 0.67 H new ATOM 0 HA GLU A 152 69.500 1.865 4.357 1.00 0.61 H new ATOM 0 HB2 GLU A 152 68.446 3.516 1.985 1.00 0.59 H new ATOM 0 HB3 GLU A 152 68.251 3.926 3.677 1.00 0.59 H new ATOM 0 HG2 GLU A 152 70.862 3.859 3.816 1.00 0.76 H new ATOM 0 HG3 GLU A 152 70.839 3.862 2.064 1.00 0.76 H new ATOM 1045 N PHE A 153 67.453 0.685 2.137 1.00 0.60 N ATOM 1046 CA PHE A 153 66.171 -0.065 2.015 1.00 0.61 C ATOM 1047 C PHE A 153 66.298 -1.437 2.682 1.00 0.66 C ATOM 1048 O PHE A 153 65.433 -1.859 3.423 1.00 0.71 O ATOM 1049 CB PHE A 153 65.939 -0.217 0.511 1.00 0.64 C ATOM 1050 CG PHE A 153 64.715 -1.068 0.274 1.00 0.68 C ATOM 1051 CD1 PHE A 153 63.443 -0.484 0.286 1.00 1.47 C ATOM 1052 CD2 PHE A 153 64.852 -2.443 0.045 1.00 1.18 C ATOM 1053 CE1 PHE A 153 62.307 -1.274 0.067 1.00 1.55 C ATOM 1054 CE2 PHE A 153 63.717 -3.233 -0.173 1.00 1.24 C ATOM 1055 CZ PHE A 153 62.445 -2.649 -0.162 1.00 0.93 C ATOM 0 H PHE A 153 68.011 0.735 1.284 1.00 0.60 H new ATOM 0 HA PHE A 153 65.343 0.450 2.502 1.00 0.61 H new ATOM 0 HB2 PHE A 153 65.808 0.763 0.052 1.00 0.64 H new ATOM 0 HB3 PHE A 153 66.810 -0.675 0.042 1.00 0.64 H new ATOM 0 HD1 PHE A 153 63.337 0.576 0.464 1.00 1.47 H new ATOM 0 HD2 PHE A 153 65.833 -2.894 0.037 1.00 1.18 H new ATOM 0 HE1 PHE A 153 61.326 -0.823 0.075 1.00 1.55 H new ATOM 0 HE2 PHE A 153 63.823 -4.293 -0.350 1.00 1.24 H new ATOM 0 HZ PHE A 153 61.570 -3.259 -0.330 1.00 0.93 H new ATOM 1065 N LEU A 154 67.371 -2.134 2.427 1.00 0.72 N ATOM 1066 CA LEU A 154 67.551 -3.476 3.051 1.00 0.80 C ATOM 1067 C LEU A 154 67.204 -3.409 4.539 1.00 0.79 C ATOM 1068 O LEU A 154 66.466 -4.227 5.053 1.00 0.82 O ATOM 1069 CB LEU A 154 69.031 -3.808 2.859 1.00 0.92 C ATOM 1070 CG LEU A 154 69.170 -4.928 1.827 1.00 0.85 C ATOM 1071 CD1 LEU A 154 68.288 -6.109 2.235 1.00 1.74 C ATOM 1072 CD2 LEU A 154 68.728 -4.412 0.456 1.00 1.54 C ATOM 0 H LEU A 154 68.130 -1.833 1.815 1.00 0.72 H new ATOM 0 HA LEU A 154 66.905 -4.232 2.605 1.00 0.80 H new ATOM 0 HB2 LEU A 154 69.574 -2.923 2.527 1.00 0.92 H new ATOM 0 HB3 LEU A 154 69.472 -4.115 3.807 1.00 0.92 H new ATOM 0 HG LEU A 154 70.210 -5.251 1.777 1.00 0.85 H new ATOM 0 HD11 LEU A 154 68.387 -6.908 1.500 1.00 1.74 H new ATOM 0 HD12 LEU A 154 68.600 -6.475 3.213 1.00 1.74 H new ATOM 0 HD13 LEU A 154 67.248 -5.787 2.283 1.00 1.74 H new ATOM 0 HD21 LEU A 154 68.826 -5.209 -0.282 1.00 1.54 H new ATOM 0 HD22 LEU A 154 67.688 -4.090 0.506 1.00 1.54 H new ATOM 0 HD23 LEU A 154 69.355 -3.569 0.165 1.00 1.54 H new ATOM 1084 N GLU A 155 67.726 -2.437 5.235 1.00 0.79 N ATOM 1085 CA GLU A 155 67.421 -2.315 6.689 1.00 0.82 C ATOM 1086 C GLU A 155 65.972 -1.863 6.881 1.00 0.81 C ATOM 1087 O GLU A 155 65.326 -2.208 7.851 1.00 0.90 O ATOM 1088 CB GLU A 155 68.390 -1.251 7.208 1.00 0.85 C ATOM 1089 CG GLU A 155 69.669 -1.926 7.707 1.00 0.95 C ATOM 1090 CD GLU A 155 70.888 -1.147 7.209 1.00 1.67 C ATOM 1091 OE1 GLU A 155 70.697 -0.197 6.468 1.00 2.27 O ATOM 1092 OE2 GLU A 155 71.992 -1.513 7.577 1.00 2.47 O ATOM 0 H GLU A 155 68.350 -1.722 4.860 1.00 0.79 H new ATOM 0 HA GLU A 155 67.534 -3.260 7.220 1.00 0.82 H new ATOM 0 HB2 GLU A 155 68.626 -0.541 6.415 1.00 0.85 H new ATOM 0 HB3 GLU A 155 67.926 -0.684 8.015 1.00 0.85 H new ATOM 0 HG2 GLU A 155 69.670 -1.966 8.796 1.00 0.95 H new ATOM 0 HG3 GLU A 155 69.712 -2.955 7.351 1.00 0.95 H new ATOM 1099 N PHE A 156 65.455 -1.094 5.962 1.00 0.75 N ATOM 1100 CA PHE A 156 64.046 -0.623 6.087 1.00 0.78 C ATOM 1101 C PHE A 156 63.104 -1.814 6.272 1.00 0.84 C ATOM 1102 O PHE A 156 62.509 -1.992 7.315 1.00 0.90 O ATOM 1103 CB PHE A 156 63.752 0.095 4.770 1.00 0.78 C ATOM 1104 CG PHE A 156 62.406 0.774 4.852 1.00 0.85 C ATOM 1105 CD1 PHE A 156 61.239 0.008 4.962 1.00 1.66 C ATOM 1106 CD2 PHE A 156 62.326 2.171 4.821 1.00 1.27 C ATOM 1107 CE1 PHE A 156 59.992 0.640 5.039 1.00 1.77 C ATOM 1108 CE2 PHE A 156 61.079 2.802 4.897 1.00 1.31 C ATOM 1109 CZ PHE A 156 59.912 2.037 5.007 1.00 1.10 C ATOM 0 H PHE A 156 65.948 -0.771 5.129 1.00 0.75 H new ATOM 0 HA PHE A 156 63.903 0.030 6.948 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.530 0.831 4.564 1.00 0.78 H new ATOM 0 HB3 PHE A 156 63.761 -0.618 3.946 1.00 0.78 H new ATOM 0 HD1 PHE A 156 61.301 -1.070 4.987 1.00 1.66 H new ATOM 0 HD2 PHE A 156 63.226 2.762 4.738 1.00 1.27 H new ATOM 0 HE1 PHE A 156 59.092 0.049 5.123 1.00 1.77 H new ATOM 0 HE2 PHE A 156 61.017 3.880 4.871 1.00 1.31 H new ATOM 0 HZ PHE A 156 58.950 2.525 5.067 1.00 1.10 H new ATOM 1119 N MET A 157 62.961 -2.631 5.265 1.00 0.86 N ATOM 1120 CA MET A 157 62.054 -3.809 5.384 1.00 0.95 C ATOM 1121 C MET A 157 62.469 -4.680 6.572 1.00 0.99 C ATOM 1122 O MET A 157 61.662 -5.027 7.412 1.00 1.12 O ATOM 1123 CB MET A 157 62.224 -4.574 4.072 1.00 0.99 C ATOM 1124 CG MET A 157 61.060 -5.550 3.893 1.00 1.28 C ATOM 1125 SD MET A 157 60.590 -5.615 2.145 1.00 1.48 S ATOM 1126 CE MET A 157 59.591 -4.106 2.122 1.00 1.12 C ATOM 0 H MET A 157 63.432 -2.535 4.365 1.00 0.86 H new ATOM 0 HA MET A 157 61.018 -3.516 5.554 1.00 0.95 H new ATOM 0 HB2 MET A 157 62.259 -3.877 3.235 1.00 0.99 H new ATOM 0 HB3 MET A 157 63.169 -5.116 4.075 1.00 0.99 H new ATOM 0 HG2 MET A 157 61.347 -6.542 4.241 1.00 1.28 H new ATOM 0 HG3 MET A 157 60.210 -5.234 4.498 1.00 1.28 H new ATOM 0 HE1 MET A 157 58.584 -4.342 1.779 1.00 1.12 H new ATOM 0 HE2 MET A 157 59.543 -3.686 3.127 1.00 1.12 H new ATOM 0 HE3 MET A 157 60.044 -3.380 1.446 1.00 1.12 H new ATOM 1136 N LYS A 158 63.723 -5.037 6.650 1.00 0.94 N ATOM 1137 CA LYS A 158 64.186 -5.886 7.786 1.00 1.02 C ATOM 1138 C LYS A 158 63.827 -5.226 9.120 1.00 1.05 C ATOM 1139 O LYS A 158 62.759 -5.437 9.660 1.00 1.20 O ATOM 1140 CB LYS A 158 65.703 -5.976 7.620 1.00 1.07 C ATOM 1141 CG LYS A 158 66.053 -7.215 6.793 1.00 1.26 C ATOM 1142 CD LYS A 158 67.187 -7.983 7.477 1.00 1.53 C ATOM 1143 CE LYS A 158 68.531 -7.525 6.907 1.00 1.45 C ATOM 1144 NZ LYS A 158 69.419 -8.718 7.008 1.00 2.07 N ATOM 0 H LYS A 158 64.445 -4.778 5.978 1.00 0.94 H new ATOM 0 HA LYS A 158 63.718 -6.870 7.785 1.00 1.02 H new ATOM 0 HB2 LYS A 158 66.080 -5.079 7.128 1.00 1.07 H new ATOM 0 HB3 LYS A 158 66.184 -6.030 8.597 1.00 1.07 H new ATOM 0 HG2 LYS A 158 65.177 -7.855 6.689 1.00 1.26 H new ATOM 0 HG3 LYS A 158 66.354 -6.921 5.787 1.00 1.26 H new ATOM 0 HD2 LYS A 158 67.159 -7.812 8.553 1.00 1.53 H new ATOM 0 HD3 LYS A 158 67.060 -9.054 7.322 1.00 1.53 H new ATOM 0 HE2 LYS A 158 68.429 -7.195 5.873 1.00 1.45 H new ATOM 0 HE3 LYS A 158 68.934 -6.684 7.472 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 70.361 -8.482 6.636 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 69.502 -9.005 8.004 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 69.014 -9.500 6.455 1.00 2.07 H new ATOM 1158 N GLY A 159 64.709 -4.428 9.657 1.00 1.04 N ATOM 1159 CA GLY A 159 64.415 -3.756 10.955 1.00 1.14 C ATOM 1160 C GLY A 159 64.485 -2.240 10.772 1.00 1.14 C ATOM 1161 O GLY A 159 65.445 -1.713 10.246 1.00 1.38 O ATOM 0 H GLY A 159 65.620 -4.212 9.253 1.00 1.04 H new ATOM 0 HA2 GLY A 159 63.426 -4.045 11.310 1.00 1.14 H new ATOM 0 HA3 GLY A 159 65.131 -4.075 11.712 1.00 1.14 H new ATOM 1165 N VAL A 160 63.476 -1.532 11.201 1.00 1.42 N ATOM 1166 CA VAL A 160 63.489 -0.045 11.047 1.00 1.48 C ATOM 1167 C VAL A 160 63.504 0.619 12.425 1.00 1.88 C ATOM 1168 O VAL A 160 62.639 1.405 12.755 1.00 2.37 O ATOM 1169 CB VAL A 160 62.202 0.336 10.288 1.00 1.32 C ATOM 1170 CG1 VAL A 160 62.551 1.317 9.168 1.00 1.35 C ATOM 1171 CG2 VAL A 160 61.535 -0.902 9.671 1.00 1.49 C ATOM 0 H VAL A 160 62.644 -1.915 11.650 1.00 1.42 H new ATOM 0 HA VAL A 160 64.374 0.288 10.504 1.00 1.48 H new ATOM 0 HB VAL A 160 61.509 0.790 10.996 1.00 1.32 H new ATOM 0 HG11 VAL A 160 61.644 1.590 8.628 1.00 1.35 H new ATOM 0 HG12 VAL A 160 63.002 2.212 9.596 1.00 1.35 H new ATOM 0 HG13 VAL A 160 63.256 0.849 8.481 1.00 1.35 H new ATOM 0 HG21 VAL A 160 60.630 -0.602 9.142 1.00 1.49 H new ATOM 0 HG22 VAL A 160 62.224 -1.376 8.972 1.00 1.49 H new ATOM 0 HG23 VAL A 160 61.277 -1.608 10.461 1.00 1.49 H new ATOM 1181 N GLU A 161 64.481 0.307 13.233 1.00 2.17 N ATOM 1182 CA GLU A 161 64.549 0.920 14.591 1.00 2.67 C ATOM 1183 C GLU A 161 66.008 1.112 15.011 1.00 3.21 C ATOM 1184 O GLU A 161 66.230 1.667 16.074 1.00 3.74 O ATOM 1185 CB GLU A 161 63.852 -0.082 15.512 1.00 3.19 C ATOM 1186 CG GLU A 161 64.545 -1.443 15.404 1.00 3.64 C ATOM 1187 CD GLU A 161 63.516 -2.558 15.595 1.00 4.40 C ATOM 1188 OE1 GLU A 161 62.341 -2.242 15.695 1.00 5.03 O ATOM 1189 OE2 GLU A 161 63.918 -3.709 15.639 1.00 4.73 O ATOM 1190 OXT GLU A 161 66.879 0.702 14.261 1.00 3.58 O ATOM 0 H GLU A 161 65.234 -0.345 13.012 1.00 2.17 H new ATOM 0 HA GLU A 161 64.077 1.902 14.626 1.00 2.67 H new ATOM 0 HB2 GLU A 161 63.882 0.273 16.542 1.00 3.19 H new ATOM 0 HB3 GLU A 161 62.801 -0.174 15.238 1.00 3.19 H new ATOM 0 HG2 GLU A 161 65.027 -1.541 14.431 1.00 3.64 H new ATOM 0 HG3 GLU A 161 65.329 -1.524 16.157 1.00 3.64 H new TER 1197 GLU A 161 HETATM 1198 CA CA A 1 62.825 7.814 -6.585 1.00 0.50 CA HETATM 1199 CA CA A 2 68.492 7.435 2.284 1.00 0.74 CA