USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 563 hydrogens (18 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 150 TYR OH : rot -81:sc= -3.61! USER MOD Single : A 1 KDH O02 : rot 180:sc= 0 USER MOD Single : A 1 KDH O03 : rot -84:sc= 0.681 USER MOD Single : A 1 KDH O1 : rot 5:sc= 0.0417 USER MOD Single : A 1 KDH O10 : rot 180:sc= 0 USER MOD Single : A 1 KDH O44 : rot 179:sc= -0.237 USER MOD Single : A 1 KDH O47 : rot -120:sc= 0.0484 USER MOD Single : A 1 KDH O50 : rot 180:sc= -0.206 USER MOD Single : A 1 KDH O7 : rot 102:sc= 0.749 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 154:sc= -0.153 (180deg=-0.455) USER MOD Single : A 93 SER OG : rot 180:sc= 0 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!) 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 120 MET CE :methyl 159:sc= -6.63! (180deg=-8.55!) USER MOD Single : A 122 GLN : amide:sc= -0.0927 X(o=-0.093,f=0) USER MOD Single : A 124 THR OG1 : rot -38:sc= 1.16 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 148:sc= 1.22 USER MOD Single : A 137 MET CE :methyl -140:sc= -4.28! (180deg=-10.6!) 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 143 ASN :FLIP amide:sc= -1.29 F(o=-2.4!,f=-1.3) USER MOD Single : A 144 ASN : amide:sc= -0.0764 K(o=-0.076,f=-0.68) USER MOD Single : A 157 MET CE :methyl -124:sc= -0.915 (180deg=-3.49!) USER MOD Single : A 158 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.203) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 90 12.523 5.204 3.376 1.00 2.87 N ATOM 2 CA MET A 90 11.486 5.995 4.098 1.00 2.20 C ATOM 3 C MET A 90 10.658 6.815 3.105 1.00 1.76 C ATOM 4 O MET A 90 10.958 7.960 2.828 1.00 2.23 O ATOM 5 CB MET A 90 12.270 6.915 5.036 1.00 2.68 C ATOM 6 CG MET A 90 13.215 7.799 4.220 1.00 3.11 C ATOM 7 SD MET A 90 14.930 7.391 4.632 1.00 4.08 S ATOM 8 CE MET A 90 15.554 9.087 4.728 1.00 4.71 C ATOM 0 HA MET A 90 10.787 5.360 4.642 1.00 2.20 H new ATOM 0 HB2 MET A 90 11.583 7.535 5.611 1.00 2.68 H new ATOM 0 HB3 MET A 90 12.839 6.321 5.752 1.00 2.68 H new ATOM 0 HG2 MET A 90 13.040 7.650 3.154 1.00 3.11 H new ATOM 0 HG3 MET A 90 13.019 8.850 4.431 1.00 3.11 H new ATOM 0 HE1 MET A 90 16.615 9.071 4.976 1.00 4.71 H new ATOM 0 HE2 MET A 90 15.414 9.581 3.767 1.00 4.71 H new ATOM 0 HE3 MET A 90 15.010 9.632 5.499 1.00 4.71 H new ATOM 20 N GLY A 91 9.617 6.239 2.568 1.00 1.61 N ATOM 21 CA GLY A 91 8.770 6.985 1.594 1.00 1.31 C ATOM 22 C GLY A 91 8.061 5.994 0.670 1.00 1.37 C ATOM 23 O GLY A 91 8.326 5.937 -0.515 1.00 1.61 O ATOM 0 H GLY A 91 9.316 5.284 2.762 1.00 1.61 H new ATOM 0 HA2 GLY A 91 8.037 7.593 2.124 1.00 1.31 H new ATOM 0 HA3 GLY A 91 9.386 7.668 1.009 1.00 1.31 H new ATOM 27 N LYS A 92 7.161 5.212 1.200 1.00 1.27 N ATOM 28 CA LYS A 92 6.437 4.224 0.349 1.00 1.47 C ATOM 29 C LYS A 92 4.924 4.381 0.524 1.00 1.40 C ATOM 30 O LYS A 92 4.231 4.841 -0.362 1.00 1.56 O ATOM 31 CB LYS A 92 6.895 2.857 0.855 1.00 1.61 C ATOM 32 CG LYS A 92 8.395 2.695 0.602 1.00 1.94 C ATOM 33 CD LYS A 92 8.762 1.210 0.630 1.00 2.31 C ATOM 34 CE LYS A 92 8.682 0.691 2.067 1.00 2.59 C ATOM 35 NZ LYS A 92 7.374 -0.017 2.148 1.00 3.20 N ATOM 0 H LYS A 92 6.895 5.214 2.185 1.00 1.27 H new ATOM 0 HA LYS A 92 6.649 4.359 -0.712 1.00 1.47 H new ATOM 0 HB2 LYS A 92 6.683 2.762 1.920 1.00 1.61 H new ATOM 0 HB3 LYS A 92 6.342 2.066 0.348 1.00 1.61 H new ATOM 0 HG2 LYS A 92 8.660 3.128 -0.363 1.00 1.94 H new ATOM 0 HG3 LYS A 92 8.962 3.235 1.360 1.00 1.94 H new ATOM 0 HD2 LYS A 92 8.084 0.645 -0.010 1.00 2.31 H new ATOM 0 HD3 LYS A 92 9.768 1.066 0.235 1.00 2.31 H new ATOM 0 HE2 LYS A 92 9.510 0.018 2.290 1.00 2.59 H new ATOM 0 HE3 LYS A 92 8.733 1.509 2.786 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 7.419 -0.745 2.889 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 6.624 0.665 2.378 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 7.165 -0.466 1.234 1.00 3.20 H new ATOM 49 N SER A 93 4.406 4.001 1.661 1.00 1.38 N ATOM 50 CA SER A 93 2.939 4.128 1.892 1.00 1.40 C ATOM 51 C SER A 93 2.655 5.254 2.890 1.00 1.20 C ATOM 52 O SER A 93 3.557 5.817 3.478 1.00 1.08 O ATOM 53 CB SER A 93 2.511 2.780 2.469 1.00 1.60 C ATOM 54 OG SER A 93 1.222 2.444 1.972 1.00 2.20 O ATOM 0 H SER A 93 4.936 3.608 2.439 1.00 1.38 H new ATOM 0 HA SER A 93 2.397 4.371 0.978 1.00 1.40 H new ATOM 0 HB2 SER A 93 3.231 2.009 2.195 1.00 1.60 H new ATOM 0 HB3 SER A 93 2.493 2.827 3.558 1.00 1.60 H new ATOM 0 HG SER A 93 0.945 1.579 2.339 1.00 2.20 H new ATOM 60 N GLU A 94 1.408 5.585 3.084 1.00 1.26 N ATOM 61 CA GLU A 94 1.065 6.673 4.043 1.00 1.17 C ATOM 62 C GLU A 94 1.864 6.511 5.340 1.00 1.12 C ATOM 63 O GLU A 94 2.162 7.472 6.021 1.00 1.09 O ATOM 64 CB GLU A 94 -0.430 6.503 4.310 1.00 1.33 C ATOM 65 CG GLU A 94 -1.210 6.728 3.013 1.00 1.28 C ATOM 66 CD GLU A 94 -2.518 5.935 3.060 1.00 1.44 C ATOM 67 OE1 GLU A 94 -2.452 4.731 3.245 1.00 1.94 O ATOM 68 OE2 GLU A 94 -3.563 6.546 2.909 1.00 2.09 O ATOM 0 H GLU A 94 0.611 5.149 2.620 1.00 1.26 H new ATOM 0 HA GLU A 94 1.301 7.661 3.649 1.00 1.17 H new ATOM 0 HB2 GLU A 94 -0.629 5.504 4.698 1.00 1.33 H new ATOM 0 HB3 GLU A 94 -0.757 7.212 5.071 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -1.420 7.789 2.882 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -0.612 6.414 2.157 1.00 1.28 H new ATOM 75 N GLU A 95 2.210 5.301 5.685 1.00 1.19 N ATOM 76 CA GLU A 95 2.986 5.073 6.938 1.00 1.23 C ATOM 77 C GLU A 95 4.257 5.927 6.941 1.00 1.03 C ATOM 78 O GLU A 95 4.484 6.716 7.837 1.00 1.01 O ATOM 79 CB GLU A 95 3.340 3.586 6.917 1.00 1.45 C ATOM 80 CG GLU A 95 3.782 3.146 8.314 1.00 1.90 C ATOM 81 CD GLU A 95 4.505 1.801 8.221 1.00 2.12 C ATOM 82 OE1 GLU A 95 4.438 1.186 7.169 1.00 2.66 O ATOM 83 OE2 GLU A 95 5.113 1.408 9.203 1.00 2.49 O ATOM 0 H GLU A 95 1.989 4.459 5.153 1.00 1.19 H new ATOM 0 HA GLU A 95 2.420 5.347 7.828 1.00 1.23 H new ATOM 0 HB2 GLU A 95 2.478 3.001 6.596 1.00 1.45 H new ATOM 0 HB3 GLU A 95 4.137 3.401 6.197 1.00 1.45 H new ATOM 0 HG2 GLU A 95 4.441 3.896 8.751 1.00 1.90 H new ATOM 0 HG3 GLU A 95 2.916 3.061 8.971 1.00 1.90 H new ATOM 90 N GLU A 96 5.090 5.772 5.950 1.00 1.02 N ATOM 91 CA GLU A 96 6.348 6.572 5.901 1.00 0.94 C ATOM 92 C GLU A 96 6.101 7.910 5.200 1.00 0.79 C ATOM 93 O GLU A 96 6.611 8.936 5.604 1.00 0.82 O ATOM 94 CB GLU A 96 7.328 5.717 5.098 1.00 1.15 C ATOM 95 CG GLU A 96 8.269 4.982 6.055 1.00 1.62 C ATOM 96 CD GLU A 96 8.336 3.501 5.676 1.00 1.99 C ATOM 97 OE1 GLU A 96 7.644 3.113 4.749 1.00 2.78 O ATOM 98 OE2 GLU A 96 9.079 2.779 6.320 1.00 2.18 O ATOM 0 H GLU A 96 4.955 5.127 5.172 1.00 1.02 H new ATOM 0 HA GLU A 96 6.729 6.804 6.896 1.00 0.94 H new ATOM 0 HB2 GLU A 96 6.783 4.999 4.485 1.00 1.15 H new ATOM 0 HB3 GLU A 96 7.903 6.346 4.418 1.00 1.15 H new ATOM 0 HG2 GLU A 96 9.265 5.424 6.012 1.00 1.62 H new ATOM 0 HG3 GLU A 96 7.917 5.089 7.081 1.00 1.62 H new ATOM 105 N LEU A 97 5.326 7.908 4.150 1.00 0.77 N ATOM 106 CA LEU A 97 5.053 9.182 3.425 1.00 0.71 C ATOM 107 C LEU A 97 4.601 10.266 4.408 1.00 0.67 C ATOM 108 O LEU A 97 4.781 11.444 4.173 1.00 0.75 O ATOM 109 CB LEU A 97 3.930 8.848 2.443 1.00 0.80 C ATOM 110 CG LEU A 97 4.407 7.779 1.457 1.00 0.77 C ATOM 111 CD1 LEU A 97 3.312 7.516 0.421 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.671 8.267 0.745 1.00 1.22 C ATOM 0 H LEU A 97 4.871 7.081 3.763 1.00 0.77 H new ATOM 0 HA LEU A 97 5.939 9.564 2.917 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.054 8.491 2.985 1.00 0.80 H new ATOM 0 HB3 LEU A 97 3.627 9.745 1.903 1.00 0.80 H new ATOM 0 HG LEU A 97 4.626 6.859 1.999 1.00 0.77 H new ATOM 0 HD11 LEU A 97 3.651 6.755 -0.282 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.410 7.169 0.925 1.00 1.40 H new ATOM 0 HD13 LEU A 97 3.094 8.437 -0.119 1.00 1.40 H new ATOM 0 HD21 LEU A 97 6.010 7.505 0.043 1.00 1.22 H new ATOM 0 HD22 LEU A 97 5.451 9.187 0.204 1.00 1.22 H new ATOM 0 HD23 LEU A 97 6.453 8.456 1.481 1.00 1.22 H new ATOM 124 N SER A 98 4.014 9.878 5.508 1.00 0.69 N ATOM 125 CA SER A 98 3.551 10.890 6.501 1.00 0.76 C ATOM 126 C SER A 98 4.731 11.743 6.979 1.00 0.72 C ATOM 127 O SER A 98 4.774 12.937 6.759 1.00 0.77 O ATOM 128 CB SER A 98 2.972 10.076 7.657 1.00 0.92 C ATOM 129 OG SER A 98 1.971 10.842 8.315 1.00 1.57 O ATOM 0 H SER A 98 3.835 8.906 5.762 1.00 0.69 H new ATOM 0 HA SER A 98 2.816 11.576 6.079 1.00 0.76 H new ATOM 0 HB2 SER A 98 2.547 9.144 7.284 1.00 0.92 H new ATOM 0 HB3 SER A 98 3.761 9.808 8.359 1.00 0.92 H new ATOM 0 HG SER A 98 1.596 10.322 9.056 1.00 1.57 H new ATOM 135 N ASP A 99 5.690 11.140 7.630 1.00 0.80 N ATOM 136 CA ASP A 99 6.864 11.920 8.118 1.00 0.86 C ATOM 137 C ASP A 99 7.523 12.663 6.953 1.00 0.81 C ATOM 138 O ASP A 99 7.940 13.796 7.082 1.00 0.91 O ATOM 139 CB ASP A 99 7.822 10.879 8.700 1.00 1.02 C ATOM 140 CG ASP A 99 7.726 10.890 10.227 1.00 1.23 C ATOM 141 OD1 ASP A 99 7.892 11.952 10.803 1.00 1.79 O ATOM 142 OD2 ASP A 99 7.491 9.836 10.794 1.00 1.83 O ATOM 0 H ASP A 99 5.711 10.143 7.844 1.00 0.80 H new ATOM 0 HA ASP A 99 6.582 12.670 8.857 1.00 0.86 H new ATOM 0 HB2 ASP A 99 7.575 9.889 8.317 1.00 1.02 H new ATOM 0 HB3 ASP A 99 8.844 11.096 8.388 1.00 1.02 H new ATOM 147 N LEU A 100 7.617 12.030 5.816 1.00 0.75 N ATOM 148 CA LEU A 100 8.247 12.696 4.640 1.00 0.76 C ATOM 149 C LEU A 100 7.461 13.955 4.263 1.00 0.68 C ATOM 150 O LEU A 100 7.979 15.054 4.293 1.00 0.79 O ATOM 151 CB LEU A 100 8.174 11.661 3.517 1.00 0.86 C ATOM 152 CG LEU A 100 9.173 12.025 2.420 1.00 0.79 C ATOM 153 CD1 LEU A 100 10.515 11.349 2.705 1.00 1.41 C ATOM 154 CD2 LEU A 100 8.641 11.546 1.068 1.00 1.41 C ATOM 0 H LEU A 100 7.285 11.080 5.650 1.00 0.75 H new ATOM 0 HA LEU A 100 9.271 13.010 4.840 1.00 0.76 H new ATOM 0 HB2 LEU A 100 8.394 10.668 3.909 1.00 0.86 H new ATOM 0 HB3 LEU A 100 7.165 11.625 3.107 1.00 0.86 H new ATOM 0 HG LEU A 100 9.308 13.106 2.398 1.00 0.79 H new ATOM 0 HD11 LEU A 100 11.227 11.609 1.922 1.00 1.41 H new ATOM 0 HD12 LEU A 100 10.896 11.688 3.669 1.00 1.41 H new ATOM 0 HD13 LEU A 100 10.380 10.268 2.728 1.00 1.41 H new ATOM 0 HD21 LEU A 100 9.353 11.805 0.284 1.00 1.41 H new ATOM 0 HD22 LEU A 100 8.506 10.465 1.093 1.00 1.41 H new ATOM 0 HD23 LEU A 100 7.684 12.026 0.862 1.00 1.41 H new ATOM 166 N PHE A 101 6.214 13.803 3.910 1.00 0.60 N ATOM 167 CA PHE A 101 5.397 14.992 3.533 1.00 0.59 C ATOM 168 C PHE A 101 5.579 16.106 4.568 1.00 0.60 C ATOM 169 O PHE A 101 5.548 17.278 4.248 1.00 0.72 O ATOM 170 CB PHE A 101 3.951 14.493 3.532 1.00 0.61 C ATOM 171 CG PHE A 101 3.040 15.588 3.034 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.652 16.622 3.895 1.00 0.68 C ATOM 173 CD2 PHE A 101 2.585 15.570 1.711 1.00 0.86 C ATOM 174 CE1 PHE A 101 1.808 17.638 3.432 1.00 0.73 C ATOM 175 CE2 PHE A 101 1.741 16.586 1.248 1.00 0.90 C ATOM 176 CZ PHE A 101 1.352 17.620 2.108 1.00 0.69 C ATOM 0 H PHE A 101 5.726 12.908 3.866 1.00 0.60 H new ATOM 0 HA PHE A 101 5.687 15.405 2.567 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.860 13.612 2.896 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.659 14.192 4.538 1.00 0.61 H new ATOM 0 HD1 PHE A 101 3.004 16.635 4.916 1.00 0.68 H new ATOM 0 HD2 PHE A 101 2.885 14.772 1.047 1.00 0.86 H new ATOM 0 HE1 PHE A 101 1.508 18.436 4.096 1.00 0.73 H new ATOM 0 HE2 PHE A 101 1.390 16.572 0.227 1.00 0.90 H new ATOM 0 HZ PHE A 101 0.700 18.404 1.750 1.00 0.69 H new ATOM 186 N ARG A 102 5.769 15.747 5.808 1.00 0.67 N ATOM 187 CA ARG A 102 5.953 16.779 6.869 1.00 0.76 C ATOM 188 C ARG A 102 7.060 17.760 6.474 1.00 0.68 C ATOM 189 O ARG A 102 6.842 18.951 6.376 1.00 0.78 O ATOM 190 CB ARG A 102 6.355 15.992 8.115 1.00 0.99 C ATOM 191 CG ARG A 102 5.350 16.261 9.237 1.00 1.30 C ATOM 192 CD ARG A 102 5.228 15.018 10.122 1.00 1.45 C ATOM 193 NE ARG A 102 5.744 15.442 11.454 1.00 2.12 N ATOM 194 CZ ARG A 102 5.867 14.569 12.419 1.00 2.71 C ATOM 195 NH1 ARG A 102 5.542 13.320 12.221 1.00 3.07 N ATOM 196 NH2 ARG A 102 6.317 14.947 13.585 1.00 3.37 N ATOM 0 H ARG A 102 5.805 14.781 6.133 1.00 0.67 H new ATOM 0 HA ARG A 102 5.052 17.371 7.030 1.00 0.76 H new ATOM 0 HB2 ARG A 102 6.387 14.926 7.890 1.00 0.99 H new ATOM 0 HB3 ARG A 102 7.357 16.281 8.433 1.00 0.99 H new ATOM 0 HG2 ARG A 102 5.674 17.114 9.833 1.00 1.30 H new ATOM 0 HG3 ARG A 102 4.378 16.517 8.815 1.00 1.30 H new ATOM 0 HD2 ARG A 102 4.194 14.681 10.188 1.00 1.45 H new ATOM 0 HD3 ARG A 102 5.809 14.188 9.719 1.00 1.45 H new ATOM 0 HE ARG A 102 6.002 16.416 11.613 1.00 2.12 H new ATOM 0 HH11 ARG A 102 5.191 13.023 11.311 1.00 3.07 H new ATOM 0 HH12 ARG A 102 5.639 12.642 12.977 1.00 3.07 H new ATOM 0 HH21 ARG A 102 6.572 15.922 13.742 1.00 3.37 H new ATOM 0 HH22 ARG A 102 6.414 14.267 14.339 1.00 3.37 H new ATOM 210 N MET A 103 8.249 17.269 6.252 1.00 0.71 N ATOM 211 CA MET A 103 9.371 18.174 5.868 1.00 0.75 C ATOM 212 C MET A 103 9.274 18.543 4.385 1.00 0.68 C ATOM 213 O MET A 103 9.552 19.660 3.994 1.00 0.83 O ATOM 214 CB MET A 103 10.639 17.363 6.135 1.00 0.93 C ATOM 215 CG MET A 103 11.635 18.215 6.923 1.00 1.27 C ATOM 216 SD MET A 103 12.713 17.136 7.898 1.00 1.82 S ATOM 217 CE MET A 103 13.856 16.697 6.566 1.00 2.43 C ATOM 0 H MET A 103 8.492 16.281 6.320 1.00 0.71 H new ATOM 0 HA MET A 103 9.356 19.109 6.428 1.00 0.75 H new ATOM 0 HB2 MET A 103 10.394 16.460 6.695 1.00 0.93 H new ATOM 0 HB3 MET A 103 11.084 17.043 5.193 1.00 0.93 H new ATOM 0 HG2 MET A 103 12.231 18.822 6.241 1.00 1.27 H new ATOM 0 HG3 MET A 103 11.102 18.903 7.579 1.00 1.27 H new ATOM 0 HE1 MET A 103 14.621 16.023 6.951 1.00 2.43 H new ATOM 0 HE2 MET A 103 13.307 16.203 5.764 1.00 2.43 H new ATOM 0 HE3 MET A 103 14.329 17.600 6.180 1.00 2.43 H new ATOM 227 N PHE A 104 8.887 17.613 3.556 1.00 0.68 N ATOM 228 CA PHE A 104 8.776 17.908 2.098 1.00 0.79 C ATOM 229 C PHE A 104 8.069 19.249 1.877 1.00 0.71 C ATOM 230 O PHE A 104 8.623 20.168 1.306 1.00 0.88 O ATOM 231 CB PHE A 104 7.941 16.762 1.527 1.00 0.94 C ATOM 232 CG PHE A 104 8.857 15.703 0.961 1.00 1.31 C ATOM 233 CD1 PHE A 104 10.067 15.410 1.602 1.00 2.03 C ATOM 234 CD2 PHE A 104 8.497 15.015 -0.204 1.00 1.26 C ATOM 235 CE1 PHE A 104 10.917 14.429 1.078 1.00 2.65 C ATOM 236 CE2 PHE A 104 9.346 14.034 -0.728 1.00 1.86 C ATOM 237 CZ PHE A 104 10.557 13.741 -0.087 1.00 2.56 C ATOM 0 H PHE A 104 8.642 16.660 3.825 1.00 0.68 H new ATOM 0 HA PHE A 104 9.752 17.983 1.618 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.311 16.334 2.307 1.00 0.94 H new ATOM 0 HB3 PHE A 104 7.276 17.136 0.749 1.00 0.94 H new ATOM 0 HD1 PHE A 104 10.344 15.941 2.501 1.00 2.03 H new ATOM 0 HD2 PHE A 104 7.564 15.242 -0.698 1.00 1.26 H new ATOM 0 HE1 PHE A 104 11.850 14.203 1.572 1.00 2.65 H new ATOM 0 HE2 PHE A 104 9.068 13.503 -1.626 1.00 1.86 H new ATOM 0 HZ PHE A 104 11.213 12.984 -0.492 1.00 2.56 H new ATOM 247 N ASP A 105 6.849 19.366 2.323 1.00 0.61 N ATOM 248 CA ASP A 105 6.102 20.645 2.137 1.00 0.60 C ATOM 249 C ASP A 105 6.967 21.837 2.555 1.00 0.56 C ATOM 250 O ASP A 105 7.189 22.074 3.726 1.00 0.63 O ATOM 251 CB ASP A 105 4.880 20.524 3.048 1.00 0.68 C ATOM 252 CG ASP A 105 3.843 21.577 2.655 1.00 0.86 C ATOM 253 OD1 ASP A 105 4.148 22.393 1.800 1.00 0.84 O ATOM 254 OD2 ASP A 105 2.759 21.550 3.215 1.00 1.45 O ATOM 0 H ASP A 105 6.335 18.631 2.809 1.00 0.61 H new ATOM 0 HA ASP A 105 5.823 20.810 1.096 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.449 19.526 2.966 1.00 0.68 H new ATOM 0 HB3 ASP A 105 5.174 20.659 4.089 1.00 0.68 H new ATOM 259 N LYS A 106 7.452 22.591 1.608 1.00 0.59 N ATOM 260 CA LYS A 106 8.297 23.770 1.953 1.00 0.66 C ATOM 261 C LYS A 106 7.484 24.777 2.771 1.00 0.55 C ATOM 262 O LYS A 106 7.943 25.296 3.769 1.00 0.63 O ATOM 263 CB LYS A 106 8.702 24.375 0.609 1.00 0.87 C ATOM 264 CG LYS A 106 10.209 24.206 0.406 1.00 1.21 C ATOM 265 CD LYS A 106 10.933 25.466 0.883 1.00 1.61 C ATOM 266 CE LYS A 106 11.393 25.274 2.330 1.00 1.77 C ATOM 267 NZ LYS A 106 12.832 25.659 2.330 1.00 2.14 N ATOM 0 H LYS A 106 7.300 22.442 0.610 1.00 0.59 H new ATOM 0 HA LYS A 106 9.165 23.496 2.553 1.00 0.66 H new ATOM 0 HB2 LYS A 106 8.158 23.887 -0.200 1.00 0.87 H new ATOM 0 HB3 LYS A 106 8.437 25.432 0.579 1.00 0.87 H new ATOM 0 HG2 LYS A 106 10.566 23.337 0.959 1.00 1.21 H new ATOM 0 HG3 LYS A 106 10.427 24.025 -0.647 1.00 1.21 H new ATOM 0 HD2 LYS A 106 11.790 25.670 0.242 1.00 1.61 H new ATOM 0 HD3 LYS A 106 10.270 26.328 0.812 1.00 1.61 H new ATOM 0 HE2 LYS A 106 10.817 25.898 3.014 1.00 1.77 H new ATOM 0 HE3 LYS A 106 11.260 24.241 2.653 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 13.220 25.554 3.289 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 13.356 25.044 1.676 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 12.927 26.649 2.025 1.00 2.14 H new ATOM 281 N ASN A 107 6.278 25.055 2.357 1.00 0.48 N ATOM 282 CA ASN A 107 5.436 26.026 3.112 1.00 0.50 C ATOM 283 C ASN A 107 4.948 25.392 4.418 1.00 0.58 C ATOM 284 O ASN A 107 4.532 26.073 5.333 1.00 0.70 O ATOM 285 CB ASN A 107 4.258 26.333 2.186 1.00 0.54 C ATOM 286 CG ASN A 107 3.190 27.116 2.953 1.00 0.70 C ATOM 287 OD1 ASN A 107 3.468 27.696 3.984 1.00 1.00 O ATOM 288 ND2 ASN A 107 1.970 27.158 2.490 1.00 0.78 N ATOM 0 H ASN A 107 5.839 24.652 1.529 1.00 0.48 H new ATOM 0 HA ASN A 107 5.983 26.929 3.383 1.00 0.50 H new ATOM 0 HB2 ASN A 107 4.599 26.910 1.327 1.00 0.54 H new ATOM 0 HB3 ASN A 107 3.835 25.406 1.799 1.00 0.54 H new ATOM 0 HD21 ASN A 107 1.251 27.677 2.994 1.00 0.78 H new ATOM 0 HD22 ASN A 107 1.736 26.671 1.625 1.00 0.78 H new ATOM 295 N ALA A 108 5.000 24.091 4.510 1.00 0.65 N ATOM 296 CA ALA A 108 4.544 23.411 5.757 1.00 0.84 C ATOM 297 C ALA A 108 3.144 23.895 6.144 1.00 0.78 C ATOM 298 O ALA A 108 2.964 24.575 7.135 1.00 0.96 O ATOM 299 CB ALA A 108 5.563 23.813 6.823 1.00 1.03 C ATOM 0 H ALA A 108 5.338 23.469 3.776 1.00 0.65 H new ATOM 0 HA ALA A 108 4.483 22.329 5.638 1.00 0.84 H new ATOM 0 HB1 ALA A 108 5.296 23.351 7.774 1.00 1.03 H new ATOM 0 HB2 ALA A 108 6.556 23.478 6.522 1.00 1.03 H new ATOM 0 HB3 ALA A 108 5.565 24.897 6.934 1.00 1.03 H new ATOM 305 N ASP A 109 2.152 23.547 5.371 1.00 0.73 N ATOM 306 CA ASP A 109 0.764 23.984 5.697 1.00 0.74 C ATOM 307 C ASP A 109 -0.218 22.833 5.467 1.00 0.78 C ATOM 308 O ASP A 109 -1.419 23.007 5.524 1.00 0.96 O ATOM 309 CB ASP A 109 0.476 25.138 4.735 1.00 0.72 C ATOM 310 CG ASP A 109 0.791 24.702 3.303 1.00 1.15 C ATOM 311 OD1 ASP A 109 1.949 24.436 3.027 1.00 1.66 O ATOM 312 OD2 ASP A 109 -0.132 24.642 2.507 1.00 1.95 O ATOM 0 H ASP A 109 2.242 22.979 4.528 1.00 0.73 H new ATOM 0 HA ASP A 109 0.659 24.288 6.739 1.00 0.74 H new ATOM 0 HB2 ASP A 109 -0.569 25.438 4.813 1.00 0.72 H new ATOM 0 HB3 ASP A 109 1.078 26.007 5.002 1.00 0.72 H new ATOM 317 N GLY A 110 0.283 21.656 5.207 1.00 0.76 N ATOM 318 CA GLY A 110 -0.622 20.495 4.974 1.00 0.85 C ATOM 319 C GLY A 110 -0.717 20.215 3.473 1.00 0.70 C ATOM 320 O GLY A 110 -0.971 19.104 3.054 1.00 0.73 O ATOM 0 H GLY A 110 1.280 21.448 5.146 1.00 0.76 H new ATOM 0 HA2 GLY A 110 -0.244 19.616 5.496 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.612 20.705 5.379 1.00 0.85 H new ATOM 324 N TYR A 111 -0.514 21.216 2.661 1.00 0.68 N ATOM 325 CA TYR A 111 -0.592 21.009 1.187 1.00 0.60 C ATOM 326 C TYR A 111 0.705 21.473 0.519 1.00 0.58 C ATOM 327 O TYR A 111 1.601 21.980 1.165 1.00 0.83 O ATOM 328 CB TYR A 111 -1.773 21.867 0.731 1.00 0.68 C ATOM 329 CG TYR A 111 -3.032 21.394 1.419 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.343 21.858 2.703 1.00 0.71 C ATOM 331 CD2 TYR A 111 -3.887 20.491 0.776 1.00 0.78 C ATOM 332 CE1 TYR A 111 -4.508 21.420 3.343 1.00 0.78 C ATOM 333 CE2 TYR A 111 -5.053 20.053 1.416 1.00 0.83 C ATOM 334 CZ TYR A 111 -5.363 20.518 2.700 1.00 0.80 C ATOM 335 OH TYR A 111 -6.512 20.087 3.331 1.00 0.90 O ATOM 0 H TYR A 111 -0.297 22.169 2.955 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.725 19.960 0.921 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.588 22.915 0.967 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.889 21.800 -0.351 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -2.684 22.554 3.200 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -3.647 20.132 -0.214 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -4.747 21.778 4.333 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -5.713 19.357 0.920 1.00 0.83 H new ATOM 0 HH TYR A 111 -6.993 19.465 2.746 1.00 0.90 H new ATOM 345 N ILE A 112 0.815 21.301 -0.770 1.00 0.50 N ATOM 346 CA ILE A 112 2.057 21.730 -1.477 1.00 0.50 C ATOM 347 C ILE A 112 1.702 22.525 -2.736 1.00 0.49 C ATOM 348 O ILE A 112 0.743 22.227 -3.420 1.00 0.66 O ATOM 349 CB ILE A 112 2.768 20.428 -1.848 1.00 0.50 C ATOM 350 CG1 ILE A 112 2.954 19.573 -0.592 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.136 20.745 -2.454 1.00 0.58 C ATOM 352 CD1 ILE A 112 3.399 18.164 -0.993 1.00 0.66 C ATOM 0 H ILE A 112 0.100 20.882 -1.364 1.00 0.50 H new ATOM 0 HA ILE A 112 2.682 22.376 -0.860 1.00 0.50 H new ATOM 0 HB ILE A 112 2.167 19.882 -2.575 1.00 0.50 H new ATOM 0 HG12 ILE A 112 3.697 20.028 0.063 1.00 0.62 H new ATOM 0 HG13 ILE A 112 2.021 19.525 -0.031 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.641 19.816 -2.718 1.00 0.58 H new ATOM 0 HG22 ILE A 112 4.005 21.354 -3.349 1.00 0.58 H new ATOM 0 HG23 ILE A 112 4.738 21.292 -1.728 1.00 0.58 H new ATOM 0 HD11 ILE A 112 3.531 17.556 -0.098 1.00 0.66 H new ATOM 0 HD12 ILE A 112 2.640 17.711 -1.631 1.00 0.66 H new ATOM 0 HD13 ILE A 112 4.343 18.221 -1.536 1.00 0.66 H new ATOM 364 N ASP A 113 2.468 23.535 -3.047 1.00 0.47 N ATOM 365 CA ASP A 113 2.173 24.348 -4.263 1.00 0.50 C ATOM 366 C ASP A 113 3.289 24.173 -5.296 1.00 0.50 C ATOM 367 O ASP A 113 4.382 23.749 -4.978 1.00 0.57 O ATOM 368 CB ASP A 113 2.121 25.795 -3.772 1.00 0.60 C ATOM 369 CG ASP A 113 0.804 26.436 -4.213 1.00 1.17 C ATOM 370 OD1 ASP A 113 -0.123 25.699 -4.503 1.00 1.85 O ATOM 371 OD2 ASP A 113 0.746 27.654 -4.253 1.00 1.77 O ATOM 0 H ASP A 113 3.284 23.833 -2.513 1.00 0.47 H new ATOM 0 HA ASP A 113 1.242 24.048 -4.744 1.00 0.50 H new ATOM 0 HB2 ASP A 113 2.207 25.825 -2.686 1.00 0.60 H new ATOM 0 HB3 ASP A 113 2.964 26.357 -4.174 1.00 0.60 H new ATOM 376 N LEU A 114 3.021 24.495 -6.531 1.00 0.52 N ATOM 377 CA LEU A 114 4.067 24.346 -7.583 1.00 0.57 C ATOM 378 C LEU A 114 5.395 24.936 -7.101 1.00 0.63 C ATOM 379 O LEU A 114 6.392 24.247 -7.006 1.00 0.80 O ATOM 380 CB LEU A 114 3.535 25.132 -8.781 1.00 0.62 C ATOM 381 CG LEU A 114 2.241 24.489 -9.278 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.071 25.447 -9.046 1.00 0.91 C ATOM 383 CD2 LEU A 114 2.365 24.191 -10.773 1.00 0.81 C ATOM 0 H LEU A 114 2.124 24.855 -6.858 1.00 0.52 H new ATOM 0 HA LEU A 114 4.257 23.302 -7.830 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.353 26.169 -8.498 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.277 25.145 -9.579 1.00 0.62 H new ATOM 0 HG LEU A 114 2.063 23.562 -8.733 1.00 0.61 H new ATOM 0 HD11 LEU A 114 0.149 24.987 -9.401 1.00 0.91 H new ATOM 0 HD12 LEU A 114 0.983 25.662 -7.981 1.00 0.91 H new ATOM 0 HD13 LEU A 114 1.247 26.375 -9.590 1.00 0.91 H new ATOM 0 HD21 LEU A 114 1.443 23.732 -11.130 1.00 0.81 H new ATOM 0 HD22 LEU A 114 2.542 25.120 -11.316 1.00 0.81 H new ATOM 0 HD23 LEU A 114 3.198 23.509 -10.940 1.00 0.81 H new ATOM 395 N ASP A 115 5.417 26.204 -6.796 1.00 0.61 N ATOM 396 CA ASP A 115 6.683 26.834 -6.320 1.00 0.71 C ATOM 397 C ASP A 115 7.348 25.949 -5.263 1.00 0.65 C ATOM 398 O ASP A 115 8.556 25.923 -5.134 1.00 0.89 O ATOM 399 CB ASP A 115 6.257 28.170 -5.710 1.00 0.80 C ATOM 400 CG ASP A 115 6.331 29.268 -6.773 1.00 1.17 C ATOM 401 OD1 ASP A 115 5.338 29.477 -7.451 1.00 1.76 O ATOM 402 OD2 ASP A 115 7.378 29.883 -6.890 1.00 1.76 O ATOM 0 H ASP A 115 4.615 26.831 -6.855 1.00 0.61 H new ATOM 0 HA ASP A 115 7.406 26.966 -7.125 1.00 0.71 H new ATOM 0 HB2 ASP A 115 5.242 28.096 -5.320 1.00 0.80 H new ATOM 0 HB3 ASP A 115 6.904 28.420 -4.869 1.00 0.80 H new ATOM 407 N GLU A 116 6.570 25.226 -4.505 1.00 0.51 N ATOM 408 CA GLU A 116 7.161 24.347 -3.455 1.00 0.48 C ATOM 409 C GLU A 116 7.744 23.077 -4.083 1.00 0.49 C ATOM 410 O GLU A 116 8.824 22.643 -3.736 1.00 0.63 O ATOM 411 CB GLU A 116 5.996 23.999 -2.529 1.00 0.48 C ATOM 412 CG GLU A 116 5.219 25.271 -2.187 1.00 0.57 C ATOM 413 CD GLU A 116 4.675 25.168 -0.761 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.069 24.248 -0.063 1.00 1.36 O ATOM 415 OE2 GLU A 116 3.873 26.010 -0.393 1.00 1.19 O ATOM 0 H GLU A 116 5.552 25.205 -4.567 1.00 0.51 H new ATOM 0 HA GLU A 116 7.976 24.837 -2.923 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.338 23.276 -3.011 1.00 0.48 H new ATOM 0 HB3 GLU A 116 6.369 23.532 -1.618 1.00 0.48 H new ATOM 0 HG2 GLU A 116 5.868 26.142 -2.278 1.00 0.57 H new ATOM 0 HG3 GLU A 116 4.399 25.410 -2.891 1.00 0.57 H new ATOM 422 N LEU A 117 7.039 22.477 -5.003 1.00 0.48 N ATOM 423 CA LEU A 117 7.559 21.234 -5.644 1.00 0.52 C ATOM 424 C LEU A 117 8.941 21.488 -6.255 1.00 0.58 C ATOM 425 O LEU A 117 9.771 20.604 -6.324 1.00 0.69 O ATOM 426 CB LEU A 117 6.544 20.898 -6.738 1.00 0.55 C ATOM 427 CG LEU A 117 5.225 20.470 -6.095 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.111 20.504 -7.142 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.365 19.048 -5.547 1.00 0.53 C ATOM 0 H LEU A 117 6.128 22.792 -5.338 1.00 0.48 H new ATOM 0 HA LEU A 117 7.674 20.420 -4.929 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.384 21.765 -7.379 1.00 0.55 H new ATOM 0 HB3 LEU A 117 6.928 20.099 -7.372 1.00 0.55 H new ATOM 0 HG LEU A 117 4.979 21.153 -5.282 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.171 20.199 -6.683 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.011 21.516 -7.535 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.356 19.822 -7.956 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.425 18.741 -5.088 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.611 18.367 -6.362 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.159 19.022 -4.801 1.00 0.53 H new ATOM 441 N LYS A 118 9.191 22.688 -6.700 1.00 0.59 N ATOM 442 CA LYS A 118 10.517 22.997 -7.309 1.00 0.69 C ATOM 443 C LYS A 118 11.589 23.129 -6.220 1.00 0.64 C ATOM 444 O LYS A 118 12.656 22.555 -6.314 1.00 0.73 O ATOM 445 CB LYS A 118 10.311 24.330 -8.035 1.00 0.83 C ATOM 446 CG LYS A 118 11.664 24.999 -8.288 1.00 0.99 C ATOM 447 CD LYS A 118 11.468 26.226 -9.181 1.00 1.35 C ATOM 448 CE LYS A 118 12.541 27.269 -8.858 1.00 1.51 C ATOM 449 NZ LYS A 118 12.055 28.528 -9.489 1.00 1.99 N ATOM 0 H LYS A 118 8.535 23.469 -6.669 1.00 0.59 H new ATOM 0 HA LYS A 118 10.857 22.212 -7.984 1.00 0.69 H new ATOM 0 HB2 LYS A 118 9.795 24.163 -8.981 1.00 0.83 H new ATOM 0 HB3 LYS A 118 9.677 24.985 -7.438 1.00 0.83 H new ATOM 0 HG2 LYS A 118 12.119 25.293 -7.342 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.346 24.295 -8.764 1.00 0.99 H new ATOM 0 HD2 LYS A 118 11.529 25.939 -10.231 1.00 1.35 H new ATOM 0 HD3 LYS A 118 10.476 26.649 -9.024 1.00 1.35 H new ATOM 0 HE2 LYS A 118 12.664 27.389 -7.782 1.00 1.51 H new ATOM 0 HE3 LYS A 118 13.511 26.975 -9.259 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 12.738 29.292 -9.311 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 11.954 28.386 -10.514 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 11.133 28.787 -9.083 1.00 1.99 H new ATOM 463 N ILE A 119 11.316 23.885 -5.192 1.00 0.68 N ATOM 464 CA ILE A 119 12.321 24.059 -4.103 1.00 0.74 C ATOM 465 C ILE A 119 12.417 22.790 -3.248 1.00 0.75 C ATOM 466 O ILE A 119 13.358 22.606 -2.501 1.00 0.85 O ATOM 467 CB ILE A 119 11.798 25.228 -3.270 1.00 0.98 C ATOM 468 CG1 ILE A 119 11.932 26.525 -4.073 1.00 1.22 C ATOM 469 CG2 ILE A 119 12.614 25.342 -1.981 1.00 1.08 C ATOM 470 CD1 ILE A 119 10.658 27.357 -3.917 1.00 1.06 C ATOM 0 H ILE A 119 10.440 24.390 -5.058 1.00 0.68 H new ATOM 0 HA ILE A 119 13.321 24.247 -4.494 1.00 0.74 H new ATOM 0 HB ILE A 119 10.750 25.058 -3.023 1.00 0.98 H new ATOM 0 HG12 ILE A 119 12.795 27.093 -3.725 1.00 1.22 H new ATOM 0 HG13 ILE A 119 12.104 26.298 -5.125 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.241 26.176 -1.387 1.00 1.08 H new ATOM 0 HG22 ILE A 119 12.521 24.419 -1.409 1.00 1.08 H new ATOM 0 HG23 ILE A 119 13.662 25.512 -2.228 1.00 1.08 H new ATOM 0 HD11 ILE A 119 10.754 28.280 -4.489 1.00 1.06 H new ATOM 0 HD12 ILE A 119 9.805 26.788 -4.286 1.00 1.06 H new ATOM 0 HD13 ILE A 119 10.506 27.596 -2.864 1.00 1.06 H new ATOM 482 N MET A 120 11.454 21.916 -3.347 1.00 0.85 N ATOM 483 CA MET A 120 11.499 20.665 -2.534 1.00 1.01 C ATOM 484 C MET A 120 12.557 19.707 -3.087 1.00 0.95 C ATOM 485 O MET A 120 13.036 18.830 -2.397 1.00 1.11 O ATOM 486 CB MET A 120 10.104 20.055 -2.668 1.00 1.17 C ATOM 487 CG MET A 120 9.456 19.956 -1.287 1.00 1.52 C ATOM 488 SD MET A 120 7.845 19.143 -1.433 1.00 1.88 S ATOM 489 CE MET A 120 8.460 17.467 -1.733 1.00 1.43 C ATOM 0 H MET A 120 10.639 22.012 -3.953 1.00 0.85 H new ATOM 0 HA MET A 120 11.762 20.860 -1.494 1.00 1.01 H new ATOM 0 HB2 MET A 120 9.489 20.668 -3.327 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.170 19.066 -3.122 1.00 1.17 H new ATOM 0 HG2 MET A 120 10.100 19.393 -0.611 1.00 1.52 H new ATOM 0 HG3 MET A 120 9.336 20.951 -0.858 1.00 1.52 H new ATOM 0 HE1 MET A 120 7.681 16.745 -1.489 1.00 1.43 H new ATOM 0 HE2 MET A 120 8.735 17.363 -2.783 1.00 1.43 H new ATOM 0 HE3 MET A 120 9.334 17.283 -1.109 1.00 1.43 H new ATOM 499 N LEU A 121 12.923 19.866 -4.329 1.00 0.87 N ATOM 500 CA LEU A 121 13.947 18.961 -4.927 1.00 0.95 C ATOM 501 C LEU A 121 15.351 19.362 -4.460 1.00 0.87 C ATOM 502 O LEU A 121 16.303 18.624 -4.621 1.00 0.97 O ATOM 503 CB LEU A 121 13.808 19.158 -6.436 1.00 1.09 C ATOM 504 CG LEU A 121 13.084 17.956 -7.046 1.00 1.41 C ATOM 505 CD1 LEU A 121 13.983 16.720 -6.962 1.00 2.03 C ATOM 506 CD2 LEU A 121 11.787 17.699 -6.276 1.00 1.80 C ATOM 0 H LEU A 121 12.558 20.583 -4.956 1.00 0.87 H new ATOM 0 HA LEU A 121 13.803 17.921 -4.633 1.00 0.95 H new ATOM 0 HB2 LEU A 121 13.254 20.073 -6.644 1.00 1.09 H new ATOM 0 HB3 LEU A 121 14.792 19.271 -6.890 1.00 1.09 H new ATOM 0 HG LEU A 121 12.852 18.163 -8.091 1.00 1.41 H new ATOM 0 HD11 LEU A 121 13.467 15.864 -7.397 1.00 2.03 H new ATOM 0 HD12 LEU A 121 14.906 16.904 -7.511 1.00 2.03 H new ATOM 0 HD13 LEU A 121 14.217 16.511 -5.918 1.00 2.03 H new ATOM 0 HD21 LEU A 121 11.270 16.843 -6.710 1.00 1.80 H new ATOM 0 HD22 LEU A 121 12.019 17.492 -5.231 1.00 1.80 H new ATOM 0 HD23 LEU A 121 11.147 18.579 -6.338 1.00 1.80 H new ATOM 518 N GLN A 122 15.487 20.525 -3.884 1.00 0.82 N ATOM 519 CA GLN A 122 16.829 20.972 -3.410 1.00 0.95 C ATOM 520 C GLN A 122 17.549 19.830 -2.687 1.00 1.04 C ATOM 521 O GLN A 122 18.762 19.758 -2.675 1.00 1.19 O ATOM 522 CB GLN A 122 16.545 22.124 -2.444 1.00 1.14 C ATOM 523 CG GLN A 122 16.629 23.454 -3.196 1.00 1.42 C ATOM 524 CD GLN A 122 17.938 24.163 -2.844 1.00 1.85 C ATOM 525 OE1 GLN A 122 17.950 25.352 -2.594 1.00 2.44 O ATOM 526 NE2 GLN A 122 19.049 23.479 -2.813 1.00 2.28 N ATOM 0 H GLN A 122 14.727 21.186 -3.721 1.00 0.82 H new ATOM 0 HA GLN A 122 17.474 21.279 -4.234 1.00 0.95 H new ATOM 0 HB2 GLN A 122 15.556 22.006 -2.002 1.00 1.14 H new ATOM 0 HB3 GLN A 122 17.264 22.111 -1.625 1.00 1.14 H new ATOM 0 HG2 GLN A 122 16.576 23.279 -4.271 1.00 1.42 H new ATOM 0 HG3 GLN A 122 15.780 24.085 -2.934 1.00 1.42 H new ATOM 0 HE21 GLN A 122 19.039 22.481 -3.023 1.00 2.28 H new ATOM 0 HE22 GLN A 122 19.927 23.943 -2.579 1.00 2.28 H new ATOM 535 N ALA A 123 16.814 18.937 -2.084 1.00 1.09 N ATOM 536 CA ALA A 123 17.462 17.805 -1.362 1.00 1.33 C ATOM 537 C ALA A 123 18.290 16.954 -2.331 1.00 1.38 C ATOM 538 O ALA A 123 19.068 16.115 -1.921 1.00 1.62 O ATOM 539 CB ALA A 123 16.306 16.988 -0.785 1.00 1.45 C ATOM 0 H ALA A 123 15.794 18.942 -2.060 1.00 1.09 H new ATOM 0 HA ALA A 123 18.145 18.152 -0.586 1.00 1.33 H new ATOM 0 HB1 ALA A 123 16.702 16.133 -0.237 1.00 1.45 H new ATOM 0 HB2 ALA A 123 15.721 17.612 -0.110 1.00 1.45 H new ATOM 0 HB3 ALA A 123 15.669 16.635 -1.596 1.00 1.45 H new ATOM 545 N THR A 124 18.132 17.160 -3.611 1.00 1.29 N ATOM 546 CA THR A 124 18.915 16.356 -4.595 1.00 1.47 C ATOM 547 C THR A 124 19.581 17.273 -5.627 1.00 1.44 C ATOM 548 O THR A 124 19.886 16.864 -6.729 1.00 1.72 O ATOM 549 CB THR A 124 17.890 15.444 -5.271 1.00 1.56 C ATOM 550 OG1 THR A 124 18.520 14.721 -6.320 1.00 2.16 O ATOM 551 CG2 THR A 124 16.751 16.289 -5.844 1.00 1.92 C ATOM 0 H THR A 124 17.497 17.847 -4.017 1.00 1.29 H new ATOM 0 HA THR A 124 19.713 15.788 -4.116 1.00 1.47 H new ATOM 0 HB THR A 124 17.487 14.745 -4.538 1.00 1.56 H new ATOM 0 HG1 THR A 124 19.162 15.302 -6.778 1.00 2.16 H new ATOM 0 HG21 THR A 124 16.021 15.638 -6.325 1.00 1.92 H new ATOM 0 HG22 THR A 124 16.268 16.842 -5.039 1.00 1.92 H new ATOM 0 HG23 THR A 124 17.151 16.990 -6.577 1.00 1.92 H new ATOM 559 N GLY A 125 19.811 18.509 -5.276 1.00 1.26 N ATOM 560 CA GLY A 125 20.460 19.450 -6.235 1.00 1.32 C ATOM 561 C GLY A 125 19.386 20.216 -7.012 1.00 1.26 C ATOM 562 O GLY A 125 19.614 21.310 -7.491 1.00 1.63 O ATOM 0 H GLY A 125 19.578 18.908 -4.367 1.00 1.26 H new ATOM 0 HA2 GLY A 125 21.101 20.148 -5.697 1.00 1.32 H new ATOM 0 HA3 GLY A 125 21.098 18.898 -6.925 1.00 1.32 H new ATOM 566 N GLU A 126 18.218 19.652 -7.137 1.00 1.02 N ATOM 567 CA GLU A 126 17.126 20.345 -7.881 1.00 1.08 C ATOM 568 C GLU A 126 17.566 20.665 -9.311 1.00 0.89 C ATOM 569 O GLU A 126 17.494 21.795 -9.753 1.00 0.87 O ATOM 570 CB GLU A 126 16.863 21.633 -7.100 1.00 1.34 C ATOM 571 CG GLU A 126 15.368 21.959 -7.136 1.00 1.45 C ATOM 572 CD GLU A 126 14.852 21.843 -8.572 1.00 1.61 C ATOM 573 OE1 GLU A 126 15.322 22.593 -9.412 1.00 2.09 O ATOM 574 OE2 GLU A 126 13.995 21.007 -8.807 1.00 2.16 O ATOM 0 H GLU A 126 17.970 18.739 -6.756 1.00 1.02 H new ATOM 0 HA GLU A 126 16.232 19.726 -7.960 1.00 1.08 H new ATOM 0 HB2 GLU A 126 17.196 21.519 -6.068 1.00 1.34 H new ATOM 0 HB3 GLU A 126 17.435 22.455 -7.531 1.00 1.34 H new ATOM 0 HG2 GLU A 126 14.821 21.276 -6.486 1.00 1.45 H new ATOM 0 HG3 GLU A 126 15.196 22.966 -6.757 1.00 1.45 H new ATOM 581 N THR A 127 18.010 19.681 -10.042 1.00 1.09 N ATOM 582 CA THR A 127 18.439 19.937 -11.446 1.00 1.21 C ATOM 583 C THR A 127 17.427 19.327 -12.419 1.00 1.29 C ATOM 584 O THR A 127 17.503 18.164 -12.763 1.00 1.60 O ATOM 585 CB THR A 127 19.799 19.250 -11.581 1.00 1.57 C ATOM 586 OG1 THR A 127 20.212 19.289 -12.940 1.00 1.91 O ATOM 587 CG2 THR A 127 19.686 17.796 -11.121 1.00 2.18 C ATOM 0 H THR A 127 18.094 18.714 -9.730 1.00 1.09 H new ATOM 0 HA THR A 127 18.502 21.001 -11.674 1.00 1.21 H new ATOM 0 HB THR A 127 20.532 19.767 -10.962 1.00 1.57 H new ATOM 0 HG1 THR A 127 21.084 18.851 -13.030 1.00 1.91 H new ATOM 0 HG21 THR A 127 20.656 17.307 -11.218 1.00 2.18 H new ATOM 0 HG22 THR A 127 19.368 17.768 -10.079 1.00 2.18 H new ATOM 0 HG23 THR A 127 18.954 17.275 -11.738 1.00 2.18 H new ATOM 595 N ILE A 128 16.478 20.105 -12.861 1.00 1.08 N ATOM 596 CA ILE A 128 15.458 19.574 -13.810 1.00 1.20 C ATOM 597 C ILE A 128 15.198 20.589 -14.925 1.00 1.18 C ATOM 598 O ILE A 128 15.636 21.720 -14.861 1.00 1.15 O ATOM 599 CB ILE A 128 14.201 19.372 -12.964 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.001 19.135 -13.884 1.00 1.32 C ATOM 601 CG2 ILE A 128 13.953 20.620 -12.114 1.00 1.62 C ATOM 602 CD1 ILE A 128 11.783 18.747 -13.044 1.00 2.03 C ATOM 0 H ILE A 128 16.364 21.086 -12.606 1.00 1.08 H new ATOM 0 HA ILE A 128 15.779 18.650 -14.290 1.00 1.20 H new ATOM 0 HB ILE A 128 14.336 18.509 -12.312 1.00 1.12 H new ATOM 0 HG12 ILE A 128 12.787 20.036 -14.460 1.00 1.32 H new ATOM 0 HG13 ILE A 128 13.229 18.345 -14.600 1.00 1.32 H new ATOM 0 HG21 ILE A 128 13.057 20.477 -11.510 1.00 1.62 H new ATOM 0 HG22 ILE A 128 14.808 20.790 -11.460 1.00 1.62 H new ATOM 0 HG23 ILE A 128 13.817 21.483 -12.766 1.00 1.62 H new ATOM 0 HD11 ILE A 128 10.928 18.578 -13.699 1.00 2.03 H new ATOM 0 HD12 ILE A 128 12.000 17.835 -12.488 1.00 2.03 H new ATOM 0 HD13 ILE A 128 11.552 19.551 -12.346 1.00 2.03 H new ATOM 614 N THR A 129 14.482 20.199 -15.944 1.00 1.34 N ATOM 615 CA THR A 129 14.193 21.151 -17.054 1.00 1.42 C ATOM 616 C THR A 129 13.187 22.206 -16.589 1.00 1.16 C ATOM 617 O THR A 129 12.500 22.030 -15.601 1.00 0.97 O ATOM 618 CB THR A 129 13.594 20.293 -18.169 1.00 1.64 C ATOM 619 OG1 THR A 129 14.065 18.959 -18.042 1.00 2.23 O ATOM 620 CG2 THR A 129 14.011 20.858 -19.527 1.00 2.28 C ATOM 0 H THR A 129 14.086 19.266 -16.056 1.00 1.34 H new ATOM 0 HA THR A 129 15.084 21.683 -17.387 1.00 1.42 H new ATOM 0 HB THR A 129 12.507 20.302 -18.093 1.00 1.64 H new ATOM 0 HG1 THR A 129 13.377 18.337 -18.359 1.00 2.23 H new ATOM 0 HG21 THR A 129 13.584 20.247 -20.322 1.00 2.28 H new ATOM 0 HG22 THR A 129 13.649 21.882 -19.622 1.00 2.28 H new ATOM 0 HG23 THR A 129 15.098 20.849 -19.606 1.00 2.28 H new ATOM 628 N GLU A 130 13.095 23.302 -17.290 1.00 1.31 N ATOM 629 CA GLU A 130 12.133 24.366 -16.884 1.00 1.28 C ATOM 630 C GLU A 130 10.692 23.870 -17.055 1.00 1.16 C ATOM 631 O GLU A 130 9.846 24.090 -16.212 1.00 1.21 O ATOM 632 CB GLU A 130 12.420 25.537 -17.828 1.00 1.69 C ATOM 633 CG GLU A 130 11.223 26.490 -17.853 1.00 2.05 C ATOM 634 CD GLU A 130 11.601 27.766 -18.607 1.00 2.43 C ATOM 635 OE1 GLU A 130 12.092 28.684 -17.970 1.00 3.03 O ATOM 636 OE2 GLU A 130 11.394 27.804 -19.809 1.00 2.70 O ATOM 0 H GLU A 130 13.643 23.507 -18.125 1.00 1.31 H new ATOM 0 HA GLU A 130 12.245 24.651 -15.838 1.00 1.28 H new ATOM 0 HB2 GLU A 130 13.313 26.069 -17.501 1.00 1.69 H new ATOM 0 HB3 GLU A 130 12.621 25.165 -18.833 1.00 1.69 H new ATOM 0 HG2 GLU A 130 10.372 26.009 -18.335 1.00 2.05 H new ATOM 0 HG3 GLU A 130 10.917 26.733 -16.835 1.00 2.05 H new ATOM 643 N ASP A 131 10.408 23.209 -18.143 1.00 1.18 N ATOM 644 CA ASP A 131 9.023 22.706 -18.372 1.00 1.19 C ATOM 645 C ASP A 131 8.752 21.466 -17.514 1.00 1.07 C ATOM 646 O ASP A 131 7.637 21.222 -17.097 1.00 1.14 O ATOM 647 CB ASP A 131 8.972 22.350 -19.858 1.00 1.44 C ATOM 648 CG ASP A 131 7.626 21.701 -20.182 1.00 1.48 C ATOM 649 OD1 ASP A 131 6.614 22.249 -19.778 1.00 1.91 O ATOM 650 OD2 ASP A 131 7.629 20.666 -20.828 1.00 2.07 O ATOM 0 H ASP A 131 11.075 22.995 -18.884 1.00 1.18 H new ATOM 0 HA ASP A 131 8.269 23.445 -18.101 1.00 1.19 H new ATOM 0 HB2 ASP A 131 9.110 23.247 -20.462 1.00 1.44 H new ATOM 0 HB3 ASP A 131 9.785 21.669 -20.108 1.00 1.44 H new ATOM 655 N ASP A 132 9.758 20.679 -17.248 1.00 1.00 N ATOM 656 CA ASP A 132 9.546 19.458 -16.418 1.00 1.03 C ATOM 657 C ASP A 132 9.094 19.845 -15.006 1.00 0.88 C ATOM 658 O ASP A 132 8.612 19.024 -14.252 1.00 1.03 O ATOM 659 CB ASP A 132 10.909 18.765 -16.373 1.00 1.13 C ATOM 660 CG ASP A 132 11.043 17.823 -17.572 1.00 1.39 C ATOM 661 OD1 ASP A 132 10.397 16.789 -17.563 1.00 1.79 O ATOM 662 OD2 ASP A 132 11.791 18.153 -18.477 1.00 1.99 O ATOM 0 H ASP A 132 10.715 20.827 -17.568 1.00 1.00 H new ATOM 0 HA ASP A 132 8.773 18.810 -16.831 1.00 1.03 H new ATOM 0 HB2 ASP A 132 11.707 19.507 -16.389 1.00 1.13 H new ATOM 0 HB3 ASP A 132 11.014 18.205 -15.444 1.00 1.13 H new ATOM 667 N ILE A 133 9.248 21.089 -14.644 1.00 0.75 N ATOM 668 CA ILE A 133 8.830 21.526 -13.281 1.00 0.77 C ATOM 669 C ILE A 133 7.348 21.214 -13.052 1.00 0.70 C ATOM 670 O ILE A 133 7.000 20.316 -12.310 1.00 0.82 O ATOM 671 CB ILE A 133 9.069 23.036 -13.257 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.557 23.321 -13.479 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.642 23.598 -11.901 1.00 1.06 C ATOM 674 CD1 ILE A 133 11.392 22.451 -12.538 1.00 1.00 C ATOM 0 H ILE A 133 9.645 21.822 -15.232 1.00 0.75 H new ATOM 0 HA ILE A 133 9.386 21.012 -12.497 1.00 0.77 H new ATOM 0 HB ILE A 133 8.486 23.508 -14.047 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.826 23.116 -14.515 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.767 24.375 -13.298 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.812 24.674 -11.883 1.00 1.06 H new ATOM 0 HG22 ILE A 133 7.583 23.395 -11.740 1.00 1.06 H new ATOM 0 HG23 ILE A 133 9.226 23.125 -11.111 1.00 1.06 H new ATOM 0 HD11 ILE A 133 12.451 22.655 -12.697 1.00 1.00 H new ATOM 0 HD12 ILE A 133 11.130 22.678 -11.505 1.00 1.00 H new ATOM 0 HD13 ILE A 133 11.191 21.399 -12.741 1.00 1.00 H new ATOM 686 N GLU A 134 6.472 21.949 -13.681 1.00 0.61 N ATOM 687 CA GLU A 134 5.014 21.696 -13.497 1.00 0.64 C ATOM 688 C GLU A 134 4.648 20.295 -13.998 1.00 0.64 C ATOM 689 O GLU A 134 3.624 19.747 -13.643 1.00 0.76 O ATOM 690 CB GLU A 134 4.319 22.766 -14.339 1.00 0.73 C ATOM 691 CG GLU A 134 4.607 24.147 -13.747 1.00 0.89 C ATOM 692 CD GLU A 134 3.878 25.215 -14.564 1.00 1.21 C ATOM 693 OE1 GLU A 134 2.681 25.073 -14.753 1.00 1.86 O ATOM 694 OE2 GLU A 134 4.528 26.157 -14.987 1.00 1.87 O ATOM 0 H GLU A 134 6.703 22.714 -14.315 1.00 0.61 H new ATOM 0 HA GLU A 134 4.717 21.743 -12.449 1.00 0.64 H new ATOM 0 HB2 GLU A 134 4.672 22.719 -15.369 1.00 0.73 H new ATOM 0 HB3 GLU A 134 3.244 22.585 -14.362 1.00 0.73 H new ATOM 0 HG2 GLU A 134 4.281 24.184 -12.708 1.00 0.89 H new ATOM 0 HG3 GLU A 134 5.680 24.340 -13.752 1.00 0.89 H new ATOM 701 N GLU A 135 5.476 19.713 -14.821 1.00 0.59 N ATOM 702 CA GLU A 135 5.173 18.349 -15.344 1.00 0.67 C ATOM 703 C GLU A 135 4.981 17.363 -14.186 1.00 0.74 C ATOM 704 O GLU A 135 4.189 16.446 -14.266 1.00 0.91 O ATOM 705 CB GLU A 135 6.394 17.964 -16.180 1.00 0.72 C ATOM 706 CG GLU A 135 6.108 18.240 -17.657 1.00 1.16 C ATOM 707 CD GLU A 135 6.963 17.316 -18.526 1.00 1.56 C ATOM 708 OE1 GLU A 135 7.855 16.684 -17.984 1.00 2.03 O ATOM 709 OE2 GLU A 135 6.711 17.256 -19.718 1.00 2.29 O ATOM 0 H GLU A 135 6.349 20.122 -15.154 1.00 0.59 H new ATOM 0 HA GLU A 135 4.254 18.329 -15.930 1.00 0.67 H new ATOM 0 HB2 GLU A 135 7.265 18.533 -15.855 1.00 0.72 H new ATOM 0 HB3 GLU A 135 6.630 16.910 -16.035 1.00 0.72 H new ATOM 0 HG2 GLU A 135 5.051 18.080 -17.869 1.00 1.16 H new ATOM 0 HG3 GLU A 135 6.326 19.282 -17.892 1.00 1.16 H new ATOM 716 N LEU A 136 5.701 17.544 -13.112 1.00 0.73 N ATOM 717 CA LEU A 136 5.559 16.615 -11.954 1.00 0.87 C ATOM 718 C LEU A 136 4.285 16.935 -11.167 1.00 0.81 C ATOM 719 O LEU A 136 3.778 16.115 -10.428 1.00 1.00 O ATOM 720 CB LEU A 136 6.799 16.861 -11.092 1.00 0.99 C ATOM 721 CG LEU A 136 8.058 16.555 -11.905 1.00 1.09 C ATOM 722 CD1 LEU A 136 9.038 17.725 -11.794 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.720 15.287 -11.361 1.00 1.75 C ATOM 0 H LEU A 136 6.381 18.294 -12.986 1.00 0.73 H new ATOM 0 HA LEU A 136 5.482 15.574 -12.269 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.817 17.896 -10.750 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.767 16.232 -10.202 1.00 0.99 H new ATOM 0 HG LEU A 136 7.786 16.407 -12.950 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.934 17.505 -12.374 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.569 18.630 -12.180 1.00 1.74 H new ATOM 0 HD13 LEU A 136 9.310 17.874 -10.749 1.00 1.74 H new ATOM 0 HD21 LEU A 136 9.617 15.068 -11.940 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.990 15.437 -10.316 1.00 1.75 H new ATOM 0 HD23 LEU A 136 8.025 14.451 -11.440 1.00 1.75 H new ATOM 735 N MET A 137 3.765 18.122 -11.317 1.00 0.67 N ATOM 736 CA MET A 137 2.526 18.493 -10.573 1.00 0.71 C ATOM 737 C MET A 137 1.336 17.663 -11.065 1.00 0.68 C ATOM 738 O MET A 137 0.545 17.172 -10.283 1.00 0.70 O ATOM 739 CB MET A 137 2.313 19.975 -10.881 1.00 0.82 C ATOM 740 CG MET A 137 2.015 20.729 -9.584 1.00 0.99 C ATOM 741 SD MET A 137 0.232 21.016 -9.452 1.00 0.94 S ATOM 742 CE MET A 137 0.227 21.642 -7.754 1.00 0.53 C ATOM 0 H MET A 137 4.143 18.851 -11.922 1.00 0.67 H new ATOM 0 HA MET A 137 2.616 18.305 -9.503 1.00 0.71 H new ATOM 0 HB2 MET A 137 3.201 20.389 -11.359 1.00 0.82 H new ATOM 0 HB3 MET A 137 1.488 20.096 -11.582 1.00 0.82 H new ATOM 0 HG2 MET A 137 2.366 20.154 -8.727 1.00 0.99 H new ATOM 0 HG3 MET A 137 2.549 21.679 -9.571 1.00 0.99 H new ATOM 0 HE1 MET A 137 -0.637 21.244 -7.222 1.00 0.53 H new ATOM 0 HE2 MET A 137 1.140 21.329 -7.248 1.00 0.53 H new ATOM 0 HE3 MET A 137 0.175 22.731 -7.768 1.00 0.53 H new ATOM 752 N LYS A 138 1.200 17.503 -12.353 1.00 0.76 N ATOM 753 CA LYS A 138 0.057 16.706 -12.889 1.00 0.82 C ATOM 754 C LYS A 138 0.053 15.301 -12.280 1.00 0.72 C ATOM 755 O LYS A 138 -0.979 14.779 -11.909 1.00 0.84 O ATOM 756 CB LYS A 138 0.297 16.632 -14.398 1.00 0.99 C ATOM 757 CG LYS A 138 -0.500 17.734 -15.098 1.00 1.57 C ATOM 758 CD LYS A 138 -0.610 17.415 -16.590 1.00 2.09 C ATOM 759 CE LYS A 138 -0.972 18.688 -17.359 1.00 2.74 C ATOM 760 NZ LYS A 138 -0.532 18.429 -18.758 1.00 3.43 N ATOM 0 H LYS A 138 1.829 17.888 -13.057 1.00 0.76 H new ATOM 0 HA LYS A 138 -0.905 17.158 -12.649 1.00 0.82 H new ATOM 0 HB2 LYS A 138 1.360 16.745 -14.614 1.00 0.99 H new ATOM 0 HB3 LYS A 138 -0.003 15.655 -14.777 1.00 0.99 H new ATOM 0 HG2 LYS A 138 -1.494 17.814 -14.658 1.00 1.57 H new ATOM 0 HG3 LYS A 138 -0.010 18.698 -14.956 1.00 1.57 H new ATOM 0 HD2 LYS A 138 0.334 17.012 -16.957 1.00 2.09 H new ATOM 0 HD3 LYS A 138 -1.369 16.650 -16.754 1.00 2.09 H new ATOM 0 HE2 LYS A 138 -2.043 18.887 -17.312 1.00 2.74 H new ATOM 0 HE3 LYS A 138 -0.467 19.559 -16.941 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 -0.747 19.258 -19.348 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 0.492 18.250 -18.772 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 -1.034 17.598 -19.132 1.00 3.43 H new ATOM 774 N ASP A 139 1.197 14.684 -12.180 1.00 0.75 N ATOM 775 CA ASP A 139 1.256 13.311 -11.601 1.00 0.78 C ATOM 776 C ASP A 139 0.948 13.351 -10.101 1.00 0.70 C ATOM 777 O ASP A 139 0.538 12.367 -9.517 1.00 0.81 O ATOM 778 CB ASP A 139 2.691 12.842 -11.841 1.00 0.97 C ATOM 779 CG ASP A 139 2.934 12.694 -13.344 1.00 1.16 C ATOM 780 OD1 ASP A 139 2.523 11.686 -13.895 1.00 1.69 O ATOM 781 OD2 ASP A 139 3.529 13.591 -13.919 1.00 1.66 O ATOM 0 H ASP A 139 2.094 15.070 -12.474 1.00 0.75 H new ATOM 0 HA ASP A 139 0.526 12.641 -12.055 1.00 0.78 H new ATOM 0 HB2 ASP A 139 3.395 13.558 -11.417 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.863 11.890 -11.338 1.00 0.97 H new ATOM 786 N GLY A 140 1.145 14.478 -9.471 1.00 0.64 N ATOM 787 CA GLY A 140 0.866 14.571 -8.009 1.00 0.62 C ATOM 788 C GLY A 140 -0.476 15.270 -7.778 1.00 0.57 C ATOM 789 O GLY A 140 -1.087 15.127 -6.738 1.00 0.65 O ATOM 0 H GLY A 140 1.486 15.336 -9.904 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.847 13.574 -7.569 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.664 15.123 -7.512 1.00 0.62 H new ATOM 793 N ASP A 141 -0.941 16.026 -8.734 1.00 0.56 N ATOM 794 CA ASP A 141 -2.245 16.730 -8.555 1.00 0.56 C ATOM 795 C ASP A 141 -3.054 16.693 -9.854 1.00 0.58 C ATOM 796 O ASP A 141 -3.329 17.714 -10.452 1.00 0.64 O ATOM 797 CB ASP A 141 -1.873 18.170 -8.196 1.00 0.60 C ATOM 798 CG ASP A 141 -2.988 18.800 -7.356 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.959 18.113 -7.077 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.852 19.961 -7.005 1.00 1.23 O ATOM 0 H ASP A 141 -0.478 16.187 -9.628 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.861 16.264 -7.786 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.935 18.185 -7.642 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.716 18.752 -9.104 1.00 0.60 H new ATOM 805 N LYS A 142 -3.441 15.527 -10.293 1.00 0.62 N ATOM 806 CA LYS A 142 -4.235 15.438 -11.551 1.00 0.70 C ATOM 807 C LYS A 142 -5.443 16.375 -11.470 1.00 0.79 C ATOM 808 O LYS A 142 -5.946 16.844 -12.471 1.00 0.92 O ATOM 809 CB LYS A 142 -4.687 13.979 -11.634 1.00 0.79 C ATOM 810 CG LYS A 142 -4.356 13.424 -13.021 1.00 0.88 C ATOM 811 CD LYS A 142 -4.769 11.952 -13.093 1.00 1.37 C ATOM 812 CE LYS A 142 -4.043 11.162 -12.001 1.00 1.79 C ATOM 813 NZ LYS A 142 -3.484 9.970 -12.697 1.00 2.44 N ATOM 0 H LYS A 142 -3.243 14.636 -9.838 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.660 15.732 -12.429 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.189 13.388 -10.865 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.759 13.907 -11.447 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -4.877 13.997 -13.788 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -3.289 13.524 -13.219 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -5.848 11.860 -12.967 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -4.527 11.543 -14.074 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -3.254 11.757 -11.541 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -4.727 10.870 -11.204 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -2.971 9.378 -12.013 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -4.259 9.419 -13.119 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -2.832 10.279 -13.446 1.00 2.44 H new ATOM 827 N ASN A 143 -5.907 16.655 -10.283 1.00 0.80 N ATOM 828 CA ASN A 143 -7.076 17.568 -10.135 1.00 0.95 C ATOM 829 C ASN A 143 -6.595 19.019 -10.024 1.00 0.92 C ATOM 830 O ASN A 143 -7.380 19.946 -10.008 1.00 1.08 O ATOM 831 CB ASN A 143 -7.763 17.126 -8.843 1.00 1.07 C ATOM 832 CG ASN A 143 -8.908 18.087 -8.520 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.746 18.989 -7.590 1.00 1.95 O flip ATOM 834 ND2 ASN A 143 -9.963 18.017 -9.121 1.00 1.70 N flip ATOM 0 H ASN A 143 -5.527 16.291 -9.409 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.752 17.521 -10.988 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -8.145 16.111 -8.951 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -7.045 17.111 -8.023 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -10.090 17.313 -9.848 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -10.721 18.663 -8.898 1.00 1.70 H new ATOM 841 N ASN A 144 -5.306 19.218 -9.951 1.00 0.86 N ATOM 842 CA ASN A 144 -4.764 20.604 -9.846 1.00 0.93 C ATOM 843 C ASN A 144 -5.321 21.306 -8.601 1.00 1.03 C ATOM 844 O ASN A 144 -4.734 21.251 -7.539 1.00 1.71 O ATOM 845 CB ASN A 144 -5.220 21.306 -11.127 1.00 1.08 C ATOM 846 CG ASN A 144 -4.666 22.732 -11.152 1.00 1.49 C ATOM 847 OD1 ASN A 144 -5.383 23.680 -10.899 1.00 2.18 O ATOM 848 ND2 ASN A 144 -3.410 22.925 -11.449 1.00 1.97 N ATOM 0 H ASN A 144 -4.603 18.479 -9.960 1.00 0.86 H new ATOM 0 HA ASN A 144 -3.679 20.617 -9.744 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -4.872 20.754 -12.000 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -6.309 21.326 -11.175 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -3.030 23.871 -11.469 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -2.808 22.129 -11.661 1.00 1.97 H new ATOM 855 N ASP A 145 -6.444 21.966 -8.717 1.00 0.88 N ATOM 856 CA ASP A 145 -7.025 22.665 -7.533 1.00 0.92 C ATOM 857 C ASP A 145 -6.016 23.672 -6.962 1.00 0.91 C ATOM 858 O ASP A 145 -6.170 24.171 -5.865 1.00 1.07 O ATOM 859 CB ASP A 145 -7.322 21.547 -6.530 1.00 0.93 C ATOM 860 CG ASP A 145 -7.500 22.133 -5.129 1.00 1.40 C ATOM 861 OD1 ASP A 145 -8.196 23.128 -5.007 1.00 1.89 O ATOM 862 OD2 ASP A 145 -6.936 21.576 -4.201 1.00 2.06 O ATOM 0 H ASP A 145 -6.983 22.051 -9.579 1.00 0.88 H new ATOM 0 HA ASP A 145 -7.921 23.235 -7.779 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -8.224 21.012 -6.826 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -6.508 20.823 -6.529 1.00 0.93 H new ATOM 867 N GLY A 146 -4.989 23.986 -7.705 1.00 0.84 N ATOM 868 CA GLY A 146 -3.981 24.965 -7.209 1.00 0.92 C ATOM 869 C GLY A 146 -3.451 24.520 -5.845 1.00 0.66 C ATOM 870 O GLY A 146 -2.933 25.312 -5.083 1.00 0.74 O ATOM 0 H GLY A 146 -4.805 23.607 -8.634 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -3.159 25.045 -7.920 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -4.431 25.955 -7.129 1.00 0.92 H new ATOM 874 N ARG A 147 -3.574 23.259 -5.526 1.00 0.56 N ATOM 875 CA ARG A 147 -3.071 22.776 -4.206 1.00 0.54 C ATOM 876 C ARG A 147 -2.869 21.258 -4.230 1.00 0.46 C ATOM 877 O ARG A 147 -3.605 20.533 -4.868 1.00 0.45 O ATOM 878 CB ARG A 147 -4.162 23.150 -3.202 1.00 0.77 C ATOM 879 CG ARG A 147 -3.547 23.952 -2.054 1.00 1.39 C ATOM 880 CD ARG A 147 -4.403 25.190 -1.779 1.00 1.79 C ATOM 881 NE ARG A 147 -3.496 26.128 -1.063 1.00 2.55 N ATOM 882 CZ ARG A 147 -2.516 26.707 -1.702 1.00 2.87 C ATOM 883 NH1 ARG A 147 -2.341 26.484 -2.978 1.00 3.10 N ATOM 884 NH2 ARG A 147 -1.712 27.515 -1.066 1.00 3.37 N ATOM 0 H ARG A 147 -3.999 22.546 -6.118 1.00 0.56 H new ATOM 0 HA ARG A 147 -2.108 23.219 -3.951 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -4.938 23.736 -3.694 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -4.639 22.250 -2.816 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -3.484 23.334 -1.158 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -2.530 24.250 -2.308 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -4.774 25.628 -2.706 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -5.274 24.942 -1.173 1.00 1.79 H new ATOM 0 HE ARG A 147 -3.640 26.319 -0.071 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -2.971 25.856 -3.477 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -1.574 26.938 -3.475 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -1.850 27.693 -0.071 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -0.946 27.968 -1.564 1.00 3.37 H new ATOM 898 N ILE A 148 -1.879 20.775 -3.530 1.00 0.49 N ATOM 899 CA ILE A 148 -1.628 19.305 -3.501 1.00 0.44 C ATOM 900 C ILE A 148 -1.822 18.774 -2.076 1.00 0.46 C ATOM 901 O ILE A 148 -1.206 19.243 -1.140 1.00 0.63 O ATOM 902 CB ILE A 148 -0.175 19.146 -3.947 1.00 0.46 C ATOM 903 CG1 ILE A 148 -0.050 19.550 -5.420 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.255 17.688 -3.777 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.293 19.069 -5.977 1.00 0.63 C ATOM 0 H ILE A 148 -1.232 21.336 -2.976 1.00 0.49 H new ATOM 0 HA ILE A 148 -2.310 18.749 -4.144 1.00 0.44 H new ATOM 0 HB ILE A 148 0.466 19.784 -3.339 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.869 19.118 -5.996 1.00 0.56 H new ATOM 0 HG13 ILE A 148 -0.128 20.633 -5.518 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.291 17.575 -4.095 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.164 17.402 -2.729 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.383 17.047 -4.385 1.00 0.47 H new ATOM 0 HD11 ILE A 148 1.377 19.359 -7.024 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.106 19.522 -5.409 1.00 0.63 H new ATOM 0 HD13 ILE A 148 1.353 17.984 -5.895 1.00 0.63 H new ATOM 917 N ASP A 149 -2.685 17.808 -1.902 1.00 0.48 N ATOM 918 CA ASP A 149 -2.926 17.262 -0.533 1.00 0.53 C ATOM 919 C ASP A 149 -2.188 15.934 -0.334 1.00 0.53 C ATOM 920 O ASP A 149 -1.258 15.612 -1.047 1.00 0.63 O ATOM 921 CB ASP A 149 -4.439 17.051 -0.453 1.00 0.58 C ATOM 922 CG ASP A 149 -4.830 15.816 -1.267 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.841 14.736 -0.700 1.00 1.84 O ATOM 924 OD2 ASP A 149 -5.113 15.972 -2.444 1.00 1.65 O ATOM 0 H ASP A 149 -3.232 17.374 -2.646 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.561 17.936 0.242 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.744 16.926 0.586 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.959 17.930 -0.834 1.00 0.58 H new ATOM 929 N TYR A 150 -2.600 15.165 0.638 1.00 0.58 N ATOM 930 CA TYR A 150 -1.932 13.857 0.903 1.00 0.60 C ATOM 931 C TYR A 150 -2.327 12.829 -0.159 1.00 0.59 C ATOM 932 O TYR A 150 -1.504 12.361 -0.919 1.00 0.63 O ATOM 933 CB TYR A 150 -2.449 13.427 2.276 1.00 0.73 C ATOM 934 CG TYR A 150 -1.400 12.598 2.976 1.00 0.72 C ATOM 935 CD1 TYR A 150 -0.536 11.786 2.231 1.00 1.15 C ATOM 936 CD2 TYR A 150 -1.292 12.639 4.371 1.00 1.22 C ATOM 937 CE1 TYR A 150 0.436 11.016 2.880 1.00 1.43 C ATOM 938 CE2 TYR A 150 -0.320 11.869 5.021 1.00 1.56 C ATOM 939 CZ TYR A 150 0.544 11.057 4.276 1.00 1.48 C ATOM 940 OH TYR A 150 1.502 10.299 4.917 1.00 1.96 O ATOM 0 H TYR A 150 -3.375 15.388 1.263 1.00 0.58 H new ATOM 0 HA TYR A 150 -0.845 13.937 0.876 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -2.693 14.304 2.875 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -3.368 12.851 2.166 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -0.620 11.754 1.155 1.00 1.15 H new ATOM 0 HD2 TYR A 150 -1.959 13.265 4.946 1.00 1.22 H new ATOM 0 HE1 TYR A 150 1.102 10.390 2.305 1.00 1.43 H new ATOM 0 HE2 TYR A 150 -0.237 11.901 6.097 1.00 1.56 H new ATOM 0 HH TYR A 150 1.184 9.376 5.006 1.00 1.96 H new ATOM 950 N ASP A 151 -3.582 12.473 -0.214 1.00 0.64 N ATOM 951 CA ASP A 151 -4.032 11.473 -1.226 1.00 0.70 C ATOM 952 C ASP A 151 -3.372 11.760 -2.577 1.00 0.63 C ATOM 953 O ASP A 151 -2.954 10.861 -3.280 1.00 0.77 O ATOM 954 CB ASP A 151 -5.547 11.660 -1.315 1.00 0.79 C ATOM 955 CG ASP A 151 -6.203 10.341 -1.729 1.00 1.24 C ATOM 956 OD1 ASP A 151 -6.165 10.027 -2.907 1.00 1.83 O ATOM 957 OD2 ASP A 151 -6.734 9.669 -0.860 1.00 1.90 O ATOM 0 H ASP A 151 -4.315 12.831 0.398 1.00 0.64 H new ATOM 0 HA ASP A 151 -3.763 10.453 -0.953 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -5.940 11.987 -0.353 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -5.786 12.439 -2.039 1.00 0.79 H new ATOM 962 N GLU A 152 -3.274 13.009 -2.943 1.00 0.54 N ATOM 963 CA GLU A 152 -2.640 13.360 -4.247 1.00 0.56 C ATOM 964 C GLU A 152 -1.126 13.139 -4.174 1.00 0.52 C ATOM 965 O GLU A 152 -0.470 12.922 -5.174 1.00 0.65 O ATOM 966 CB GLU A 152 -2.957 14.842 -4.449 1.00 0.60 C ATOM 967 CG GLU A 152 -4.191 14.986 -5.342 1.00 0.77 C ATOM 968 CD GLU A 152 -4.741 16.409 -5.229 1.00 0.72 C ATOM 969 OE1 GLU A 152 -4.077 17.233 -4.622 1.00 1.40 O ATOM 970 OE2 GLU A 152 -5.817 16.650 -5.750 1.00 1.17 O ATOM 0 H GLU A 152 -3.606 13.803 -2.395 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.010 12.747 -5.068 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.135 15.321 -3.486 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.105 15.348 -4.904 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -3.931 14.767 -6.378 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -4.953 14.266 -5.045 1.00 0.77 H new ATOM 977 N PHE A 153 -0.568 13.191 -2.995 1.00 0.46 N ATOM 978 CA PHE A 153 0.902 12.984 -2.849 1.00 0.46 C ATOM 979 C PHE A 153 1.273 11.540 -3.198 1.00 0.50 C ATOM 980 O PHE A 153 2.427 11.218 -3.403 1.00 0.64 O ATOM 981 CB PHE A 153 1.190 13.268 -1.374 1.00 0.49 C ATOM 982 CG PHE A 153 2.680 13.388 -1.163 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.387 14.447 -1.745 1.00 0.62 C ATOM 984 CD2 PHE A 153 3.354 12.441 -0.383 1.00 0.52 C ATOM 985 CE1 PHE A 153 4.769 14.559 -1.547 1.00 0.73 C ATOM 986 CE2 PHE A 153 4.735 12.552 -0.185 1.00 0.61 C ATOM 987 CZ PHE A 153 5.442 13.611 -0.767 1.00 0.68 C ATOM 0 H PHE A 153 -1.068 13.368 -2.124 1.00 0.46 H new ATOM 0 HA PHE A 153 1.479 13.627 -3.513 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.694 14.189 -1.067 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.788 12.467 -0.754 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.867 15.178 -2.347 1.00 0.62 H new ATOM 0 HD2 PHE A 153 2.808 11.624 0.066 1.00 0.52 H new ATOM 0 HE1 PHE A 153 5.315 15.376 -1.996 1.00 0.73 H new ATOM 0 HE2 PHE A 153 5.255 11.821 0.416 1.00 0.61 H new ATOM 0 HZ PHE A 153 6.508 13.697 -0.614 1.00 0.68 H new ATOM 997 N LEU A 154 0.304 10.669 -3.264 1.00 0.53 N ATOM 998 CA LEU A 154 0.599 9.245 -3.597 1.00 0.62 C ATOM 999 C LEU A 154 0.837 9.089 -5.102 1.00 0.65 C ATOM 1000 O LEU A 154 1.935 8.811 -5.541 1.00 0.83 O ATOM 1001 CB LEU A 154 -0.651 8.473 -3.171 1.00 0.75 C ATOM 1002 CG LEU A 154 -0.449 7.903 -1.766 1.00 0.91 C ATOM 1003 CD1 LEU A 154 0.760 6.965 -1.763 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -0.207 9.048 -0.781 1.00 1.20 C ATOM 0 H LEU A 154 -0.680 10.881 -3.102 1.00 0.53 H new ATOM 0 HA LEU A 154 1.496 8.882 -3.095 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -1.520 9.131 -3.186 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -0.850 7.666 -3.876 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.339 7.349 -1.469 1.00 0.91 H new ATOM 0 HD11 LEU A 154 0.903 6.559 -0.762 1.00 1.65 H new ATOM 0 HD12 LEU A 154 0.589 6.148 -2.464 1.00 1.65 H new ATOM 0 HD13 LEU A 154 1.651 7.518 -2.061 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -0.063 8.642 0.220 1.00 1.20 H new ATOM 0 HD22 LEU A 154 0.683 9.603 -1.079 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -1.068 9.716 -0.781 1.00 1.20 H new ATOM 1016 N GLU A 155 -0.186 9.265 -5.894 1.00 0.69 N ATOM 1017 CA GLU A 155 -0.022 9.126 -7.371 1.00 0.81 C ATOM 1018 C GLU A 155 1.254 9.835 -7.838 1.00 0.76 C ATOM 1019 O GLU A 155 1.821 9.502 -8.859 1.00 0.90 O ATOM 1020 CB GLU A 155 -1.256 9.801 -7.970 1.00 0.97 C ATOM 1021 CG GLU A 155 -1.936 8.847 -8.954 1.00 1.41 C ATOM 1022 CD GLU A 155 -3.243 8.334 -8.346 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -4.067 9.156 -7.983 1.00 2.77 O ATOM 1024 OE2 GLU A 155 -3.397 7.127 -8.254 1.00 2.57 O ATOM 0 H GLU A 155 -1.129 9.499 -5.583 1.00 0.69 H new ATOM 0 HA GLU A 155 0.066 8.084 -7.677 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -1.951 10.079 -7.178 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -0.969 10.721 -8.479 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -2.137 9.360 -9.895 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -1.275 8.010 -9.182 1.00 1.41 H new ATOM 1031 N PHE A 156 1.705 10.813 -7.101 1.00 0.66 N ATOM 1032 CA PHE A 156 2.941 11.547 -7.506 1.00 0.77 C ATOM 1033 C PHE A 156 4.146 10.600 -7.523 1.00 0.71 C ATOM 1034 O PHE A 156 4.738 10.354 -8.555 1.00 0.88 O ATOM 1035 CB PHE A 156 3.122 12.629 -6.440 1.00 0.84 C ATOM 1036 CG PHE A 156 4.315 13.486 -6.788 1.00 1.01 C ATOM 1037 CD1 PHE A 156 4.214 14.456 -7.793 1.00 1.49 C ATOM 1038 CD2 PHE A 156 5.524 13.312 -6.103 1.00 1.09 C ATOM 1039 CE1 PHE A 156 5.322 15.251 -8.113 1.00 1.72 C ATOM 1040 CE2 PHE A 156 6.631 14.107 -6.423 1.00 1.31 C ATOM 1041 CZ PHE A 156 6.530 15.076 -7.428 1.00 1.53 C ATOM 0 H PHE A 156 1.272 11.137 -6.236 1.00 0.66 H new ATOM 0 HA PHE A 156 2.860 11.968 -8.508 1.00 0.77 H new ATOM 0 HB2 PHE A 156 2.225 13.245 -6.376 1.00 0.84 H new ATOM 0 HB3 PHE A 156 3.264 12.170 -5.462 1.00 0.84 H new ATOM 0 HD1 PHE A 156 3.282 14.591 -8.321 1.00 1.49 H new ATOM 0 HD2 PHE A 156 5.602 12.564 -5.328 1.00 1.09 H new ATOM 0 HE1 PHE A 156 5.244 15.999 -8.888 1.00 1.72 H new ATOM 0 HE2 PHE A 156 7.563 13.973 -5.894 1.00 1.31 H new ATOM 0 HZ PHE A 156 7.384 15.689 -7.675 1.00 1.53 H new ATOM 1051 N MET A 157 4.517 10.072 -6.388 1.00 0.61 N ATOM 1052 CA MET A 157 5.687 9.146 -6.340 1.00 0.69 C ATOM 1053 C MET A 157 5.216 7.690 -6.401 1.00 0.83 C ATOM 1054 O MET A 157 6.010 6.771 -6.436 1.00 1.17 O ATOM 1055 CB MET A 157 6.366 9.436 -5.000 1.00 0.84 C ATOM 1056 CG MET A 157 5.345 9.292 -3.870 1.00 0.92 C ATOM 1057 SD MET A 157 5.136 10.886 -3.037 1.00 1.56 S ATOM 1058 CE MET A 157 6.862 11.116 -2.547 1.00 0.90 C ATOM 0 H MET A 157 4.061 10.241 -5.491 1.00 0.61 H new ATOM 0 HA MET A 157 6.364 9.293 -7.181 1.00 0.69 H new ATOM 0 HB2 MET A 157 7.196 8.747 -4.844 1.00 0.84 H new ATOM 0 HB3 MET A 157 6.783 10.443 -5.002 1.00 0.84 H new ATOM 0 HG2 MET A 157 4.390 8.951 -4.270 1.00 0.92 H new ATOM 0 HG3 MET A 157 5.680 8.538 -3.157 1.00 0.92 H new ATOM 0 HE1 MET A 157 6.918 11.259 -1.468 1.00 0.90 H new ATOM 0 HE2 MET A 157 7.440 10.235 -2.827 1.00 0.90 H new ATOM 0 HE3 MET A 157 7.270 11.993 -3.051 1.00 0.90 H new ATOM 1068 N LYS A 158 3.929 7.476 -6.410 1.00 0.86 N ATOM 1069 CA LYS A 158 3.398 6.082 -6.465 1.00 1.07 C ATOM 1070 C LYS A 158 4.220 5.224 -7.433 1.00 1.36 C ATOM 1071 O LYS A 158 4.323 4.024 -7.275 1.00 1.73 O ATOM 1072 CB LYS A 158 1.963 6.231 -6.972 1.00 1.28 C ATOM 1073 CG LYS A 158 1.279 4.862 -6.984 1.00 1.66 C ATOM 1074 CD LYS A 158 0.504 4.667 -5.679 1.00 2.24 C ATOM 1075 CE LYS A 158 -0.624 3.657 -5.901 1.00 2.85 C ATOM 1076 NZ LYS A 158 0.064 2.352 -6.106 1.00 3.52 N ATOM 0 H LYS A 158 3.219 8.208 -6.382 1.00 0.86 H new ATOM 0 HA LYS A 158 3.447 5.588 -5.495 1.00 1.07 H new ATOM 0 HB2 LYS A 158 1.410 6.920 -6.333 1.00 1.28 H new ATOM 0 HB3 LYS A 158 1.963 6.658 -7.975 1.00 1.28 H new ATOM 0 HG2 LYS A 158 0.602 4.789 -7.835 1.00 1.66 H new ATOM 0 HG3 LYS A 158 2.022 4.073 -7.099 1.00 1.66 H new ATOM 0 HD2 LYS A 158 1.174 4.313 -4.895 1.00 2.24 H new ATOM 0 HD3 LYS A 158 0.093 5.619 -5.342 1.00 2.24 H new ATOM 0 HE2 LYS A 158 -1.295 3.619 -5.043 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -1.229 3.925 -6.767 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -0.624 1.578 -6.012 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 0.485 2.327 -7.057 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 0.813 2.238 -5.393 1.00 3.52 H new ATOM 1090 N GLY A 159 4.801 5.824 -8.435 1.00 1.73 N ATOM 1091 CA GLY A 159 5.607 5.033 -9.409 1.00 2.35 C ATOM 1092 C GLY A 159 7.098 5.301 -9.189 1.00 2.13 C ATOM 1093 O GLY A 159 7.893 5.214 -10.103 1.00 2.59 O ATOM 0 H GLY A 159 4.753 6.826 -8.622 1.00 1.73 H new ATOM 0 HA2 GLY A 159 5.398 3.970 -9.289 1.00 2.35 H new ATOM 0 HA3 GLY A 159 5.327 5.300 -10.428 1.00 2.35 H new ATOM 1097 N VAL A 160 7.484 5.623 -7.986 1.00 1.87 N ATOM 1098 CA VAL A 160 8.926 5.891 -7.714 1.00 1.87 C ATOM 1099 C VAL A 160 9.502 4.802 -6.805 1.00 2.39 C ATOM 1100 O VAL A 160 8.809 4.232 -5.986 1.00 3.11 O ATOM 1101 CB VAL A 160 8.953 7.249 -7.013 1.00 1.68 C ATOM 1102 CG1 VAL A 160 10.355 7.510 -6.456 1.00 1.89 C ATOM 1103 CG2 VAL A 160 8.593 8.346 -8.018 1.00 1.76 C ATOM 0 H VAL A 160 6.865 5.712 -7.180 1.00 1.87 H new ATOM 0 HA VAL A 160 9.525 5.894 -8.624 1.00 1.87 H new ATOM 0 HB VAL A 160 8.232 7.250 -6.196 1.00 1.68 H new ATOM 0 HG11 VAL A 160 10.373 8.479 -5.956 1.00 1.89 H new ATOM 0 HG12 VAL A 160 10.614 6.728 -5.742 1.00 1.89 H new ATOM 0 HG13 VAL A 160 11.077 7.509 -7.273 1.00 1.89 H new ATOM 0 HG21 VAL A 160 8.612 9.316 -7.520 1.00 1.76 H new ATOM 0 HG22 VAL A 160 9.315 8.343 -8.834 1.00 1.76 H new ATOM 0 HG23 VAL A 160 7.595 8.162 -8.416 1.00 1.76 H new ATOM 1113 N GLU A 161 10.766 4.508 -6.944 1.00 2.52 N ATOM 1114 CA GLU A 161 11.385 3.455 -6.089 1.00 3.28 C ATOM 1115 C GLU A 161 11.705 4.018 -4.703 1.00 3.90 C ATOM 1116 O GLU A 161 10.775 4.235 -3.944 1.00 4.34 O ATOM 1117 CB GLU A 161 12.669 3.057 -6.818 1.00 3.49 C ATOM 1118 CG GLU A 161 12.996 1.594 -6.516 1.00 4.11 C ATOM 1119 CD GLU A 161 12.008 0.688 -7.252 1.00 4.29 C ATOM 1120 OE1 GLU A 161 11.108 1.216 -7.884 1.00 4.56 O ATOM 1121 OE2 GLU A 161 12.168 -0.519 -7.171 1.00 4.60 O ATOM 1122 OXT GLU A 161 12.875 4.223 -4.424 1.00 4.37 O ATOM 0 H GLU A 161 11.397 4.951 -7.612 1.00 2.52 H new ATOM 0 HA GLU A 161 10.722 2.603 -5.938 1.00 3.28 H new ATOM 0 HB2 GLU A 161 12.549 3.199 -7.892 1.00 3.49 H new ATOM 0 HB3 GLU A 161 13.492 3.697 -6.502 1.00 3.49 H new ATOM 0 HG2 GLU A 161 14.016 1.367 -6.827 1.00 4.11 H new ATOM 0 HG3 GLU A 161 12.942 1.412 -5.443 1.00 4.11 H new TER 1129 GLU A 161 HETATM 1130 CA CA A 162 2.437 24.220 0.532 1.00 0.75 CA HETATM 1131 CA CA A 2 -5.810 19.180 -5.213 1.00 0.75 CA HETATM 1132 O1 KDH A 1 7.762 11.158 -10.319 1.00 2.83 O HETATM 1133 C3 KDH A 1 8.945 11.090 -9.648 1.00 2.40 C HETATM 1134 C6 KDH A 1 10.086 10.509 -10.303 1.00 3.09 C HETATM 1135 O7 KDH A 1 9.967 10.046 -11.585 1.00 4.04 O HETATM 1136 C9 KDH A 1 11.361 10.406 -9.624 1.00 2.99 C HETATM 1137 O10 KDH A 1 12.410 9.817 -10.268 1.00 3.91 O HETATM 1138 C12 KDH A 1 11.500 10.922 -8.283 1.00 2.07 C HETATM 1139 C14 KDH A 1 10.347 11.483 -7.607 1.00 1.26 C HETATM 1140 C15 KDH A 1 10.510 11.915 -6.278 1.00 0.94 C HETATM 1141 C20 KDH A 1 12.265 12.001 -4.467 1.00 2.17 C HETATM 1142 C21 KDH A 1 13.344 11.362 -3.754 1.00 3.11 C HETATM 1143 C24 KDH A 1 13.963 12.038 -2.647 1.00 3.89 C HETATM 1144 C26 KDH A 1 13.481 13.317 -2.200 1.00 3.84 C HETATM 1145 C29 KDH A 1 12.389 13.957 -2.903 1.00 3.01 C HETATM 1146 C31 KDH A 1 11.733 13.280 -3.996 1.00 2.10 C HETATM 1147 C33 KDH A 1 10.367 13.456 -6.120 1.00 0.94 C HETATM 1148 C36 KDH A 1 10.738 14.879 -7.995 1.00 1.65 C HETATM 1149 C38 KDH A 1 11.354 14.703 -9.231 1.00 1.49 C HETATM 1150 C39 KDH A 1 12.398 15.625 -9.641 1.00 1.87 C HETATM 1151 C41 KDH A 1 10.955 13.615 -10.089 1.00 2.05 C HETATM 1152 C01 KDH A 1 10.566 13.832 -4.619 1.00 1.46 C HETATM 1153 O01 KDH A 1 11.745 11.400 -5.610 1.00 1.58 O HETATM 1154 O02 KDH A 1 15.022 11.461 -2.009 1.00 4.80 O HETATM 1155 O03 KDH A 1 11.983 15.202 -2.528 1.00 3.24 O HETATM 1156 C4 KDH A 1 9.070 11.589 -8.300 1.00 1.50 C HETATM 1157 O35 KDH A 1 11.298 14.175 -6.964 1.00 1.29 O HETATM 1158 O37 KDH A 1 9.758 15.623 -7.878 1.00 2.52 O HETATM 1159 C43 KDH A 1 11.588 13.448 -11.373 1.00 2.26 C HETATM 1160 O44 KDH A 1 11.237 12.427 -12.217 1.00 3.22 O HETATM 1161 C46 KDH A 1 12.617 14.369 -11.791 1.00 2.00 C HETATM 1162 O47 KDH A 1 13.217 14.215 -13.006 1.00 2.49 O HETATM 1163 C49 KDH A 1 13.023 15.464 -10.930 1.00 2.11 C HETATM 1164 O50 KDH A 1 13.993 16.320 -11.367 1.00 3.03 O HETATM 0 HO50 KDH A 1 14.295 16.045 -12.258 1.00 3.03 H new HETATM 0 HO47 KDH A 1 14.180 14.081 -12.881 1.00 2.49 H new HETATM 0 HO44 KDH A 1 11.762 12.490 -13.042 1.00 3.22 H new HETATM 0 HO10 KDH A 1 13.198 9.824 -9.685 1.00 3.91 H new HETATM 0 HO03 KDH A 1 11.359 15.130 -1.776 1.00 3.24 H new HETATM 0 HO02 KDH A 1 15.326 12.047 -1.284 1.00 4.80 H new HETATM 0 H01A KDH A 1 9.688 13.506 -4.061 1.00 1.46 H new HETATM 0 HO7 KDH A 1 10.354 10.698 -12.206 1.00 4.04 H new HETATM 0 HO1 KDH A 1 7.850 10.707 -11.184 1.00 2.83 H new HETATM 0 H41 KDH A 1 10.178 12.922 -9.768 1.00 2.05 H new HETATM 0 H4 KDH A 1 8.213 12.043 -7.803 1.00 1.50 H new HETATM 0 H39 KDH A 1 12.707 16.434 -8.979 1.00 1.87 H new HETATM 0 H33 KDH A 1 9.368 13.749 -6.442 1.00 0.94 H new HETATM 0 H26 KDH A 1 13.935 13.802 -1.336 1.00 3.84 H new HETATM 0 H21 KDH A 1 13.688 10.372 -4.053 1.00 3.11 H new HETATM 0 H15 KDH A 1 9.677 11.458 -5.744 1.00 0.94 H new HETATM 0 H12 KDH A 1 12.467 10.890 -7.781 1.00 2.07 H new HETATM 0 H01 KDH A 1 10.610 14.918 -4.537 1.00 1.46 H new