USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=19 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 Single : A 1 KDH O02 : rot 180:sc= 0 USER MOD Single : A 1 KDH O03 : rot -72:sc= 1.22 USER MOD Single : A 1 KDH O1 : rot -1:sc= 0.0472 USER MOD Single : A 1 KDH O10 : rot -161:sc= 1.02 USER MOD Single : A 1 KDH O44 : rot -179:sc= 0.039 USER MOD Single : A 1 KDH O47 : rot -120:sc= 0.0372 USER MOD Single : A 1 KDH O50 : rot 160:sc= 0.00804 USER MOD Single : A 1 KDH O7 : rot 160:sc= 0.0589 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -120:sc= -0.0135 USER MOD Single : A 98 SER OG : rot 180:sc= -0.134 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= -0.36 K(o=-0.36,f=-2.5!) 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 -114:sc= -2.66 (180deg=-9.16!) USER MOD Single : A 122 GLN : amide:sc= -0.0527 X(o=-0.053,f=-0.13) USER MOD Single : A 124 THR OG1 : rot 87:sc= 0 USER MOD Single : A 127 THR OG1 : rot 52:sc= 0.138 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -128:sc= -3.47! (180deg=-9.37!) USER MOD Single : A 138 LYS NZ :NH3+ -123:sc= 0.276 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.21) USER MOD Single : A 144 ASN : amide:sc= -0.184 K(o=-0.18,f=-2.3!) USER MOD Single : A 150 TYR OH : rot 92:sc= -1.2 USER MOD Single : A 157 MET CE :methyl -136:sc= -1.89 (180deg=-5.31!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 90 13.026 8.772 5.221 1.00 2.87 N ATOM 2 CA MET A 90 12.544 7.827 4.172 1.00 2.20 C ATOM 3 C MET A 90 11.014 7.808 4.140 1.00 1.76 C ATOM 4 O MET A 90 10.359 8.101 5.121 1.00 2.23 O ATOM 5 CB MET A 90 13.088 6.460 4.590 1.00 2.68 C ATOM 6 CG MET A 90 13.735 5.777 3.384 1.00 3.11 C ATOM 7 SD MET A 90 15.536 5.808 3.568 1.00 4.08 S ATOM 8 CE MET A 90 15.899 4.409 2.480 1.00 4.71 C ATOM 0 HA MET A 90 12.879 8.112 3.175 1.00 2.20 H new ATOM 0 HB2 MET A 90 13.819 6.577 5.390 1.00 2.68 H new ATOM 0 HB3 MET A 90 12.282 5.841 4.983 1.00 2.68 H new ATOM 0 HG2 MET A 90 13.384 4.748 3.304 1.00 3.11 H new ATOM 0 HG3 MET A 90 13.444 6.285 2.465 1.00 3.11 H new ATOM 0 HE1 MET A 90 16.976 4.246 2.444 1.00 4.71 H new ATOM 0 HE2 MET A 90 15.409 3.514 2.862 1.00 4.71 H new ATOM 0 HE3 MET A 90 15.531 4.623 1.477 1.00 4.71 H new ATOM 20 N GLY A 91 10.439 7.464 3.020 1.00 1.61 N ATOM 21 CA GLY A 91 8.952 7.425 2.926 1.00 1.31 C ATOM 22 C GLY A 91 8.518 6.147 2.207 1.00 1.37 C ATOM 23 O GLY A 91 8.910 5.890 1.086 1.00 1.61 O ATOM 0 H GLY A 91 10.935 7.208 2.166 1.00 1.61 H new ATOM 0 HA2 GLY A 91 8.513 7.460 3.923 1.00 1.31 H new ATOM 0 HA3 GLY A 91 8.588 8.300 2.386 1.00 1.31 H new ATOM 27 N LYS A 92 7.711 5.342 2.842 1.00 1.27 N ATOM 28 CA LYS A 92 7.253 4.080 2.192 1.00 1.47 C ATOM 29 C LYS A 92 5.740 4.121 1.961 1.00 1.40 C ATOM 30 O LYS A 92 5.275 4.489 0.901 1.00 1.56 O ATOM 31 CB LYS A 92 7.617 2.971 3.179 1.00 1.61 C ATOM 32 CG LYS A 92 8.960 2.356 2.783 1.00 1.94 C ATOM 33 CD LYS A 92 8.769 0.874 2.454 1.00 2.31 C ATOM 34 CE LYS A 92 10.016 0.345 1.743 1.00 2.59 C ATOM 35 NZ LYS A 92 10.784 -0.372 2.799 1.00 3.20 N ATOM 0 H LYS A 92 7.349 5.503 3.782 1.00 1.27 H new ATOM 0 HA LYS A 92 7.717 3.926 1.218 1.00 1.47 H new ATOM 0 HB2 LYS A 92 7.674 3.374 4.190 1.00 1.61 H new ATOM 0 HB3 LYS A 92 6.842 2.205 3.184 1.00 1.61 H new ATOM 0 HG2 LYS A 92 9.371 2.880 1.920 1.00 1.94 H new ATOM 0 HG3 LYS A 92 9.677 2.469 3.596 1.00 1.94 H new ATOM 0 HD2 LYS A 92 8.591 0.308 3.368 1.00 2.31 H new ATOM 0 HD3 LYS A 92 7.892 0.741 1.820 1.00 2.31 H new ATOM 0 HE2 LYS A 92 9.750 -0.324 0.925 1.00 2.59 H new ATOM 0 HE3 LYS A 92 10.600 1.158 1.313 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 11.655 -0.764 2.389 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 11.029 0.292 3.561 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 10.205 -1.145 3.185 1.00 3.20 H new ATOM 49 N SER A 93 4.970 3.745 2.945 1.00 1.38 N ATOM 50 CA SER A 93 3.488 3.761 2.778 1.00 1.40 C ATOM 51 C SER A 93 2.885 4.973 3.496 1.00 1.20 C ATOM 52 O SER A 93 3.585 5.762 4.099 1.00 1.08 O ATOM 53 CB SER A 93 3.003 2.463 3.421 1.00 1.60 C ATOM 54 OG SER A 93 1.625 2.278 3.124 1.00 2.20 O ATOM 0 H SER A 93 5.302 3.428 3.856 1.00 1.38 H new ATOM 0 HA SER A 93 3.193 3.834 1.731 1.00 1.40 H new ATOM 0 HB2 SER A 93 3.584 1.620 3.048 1.00 1.60 H new ATOM 0 HB3 SER A 93 3.153 2.500 4.500 1.00 1.60 H new ATOM 0 HG SER A 93 1.113 2.234 3.959 1.00 2.20 H new ATOM 60 N GLU A 94 1.590 5.123 3.436 1.00 1.26 N ATOM 61 CA GLU A 94 0.938 6.281 4.114 1.00 1.17 C ATOM 62 C GLU A 94 1.492 6.446 5.531 1.00 1.12 C ATOM 63 O GLU A 94 1.533 7.534 6.069 1.00 1.09 O ATOM 64 CB GLU A 94 -0.549 5.928 4.152 1.00 1.33 C ATOM 65 CG GLU A 94 -1.062 5.745 2.722 1.00 1.28 C ATOM 66 CD GLU A 94 -1.321 4.261 2.457 1.00 1.44 C ATOM 67 OE1 GLU A 94 -2.265 3.735 3.022 1.00 1.94 O ATOM 68 OE2 GLU A 94 -0.569 3.676 1.694 1.00 2.09 O ATOM 0 H GLU A 94 0.954 4.493 2.946 1.00 1.26 H new ATOM 0 HA GLU A 94 1.120 7.222 3.595 1.00 1.17 H new ATOM 0 HB2 GLU A 94 -0.703 5.014 4.726 1.00 1.33 H new ATOM 0 HB3 GLU A 94 -1.109 6.717 4.653 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -1.979 6.316 2.578 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -0.331 6.130 2.011 1.00 1.28 H new ATOM 75 N GLU A 95 1.923 5.374 6.138 1.00 1.19 N ATOM 76 CA GLU A 95 2.477 5.476 7.519 1.00 1.23 C ATOM 77 C GLU A 95 3.612 6.503 7.555 1.00 1.03 C ATOM 78 O GLU A 95 3.635 7.389 8.386 1.00 1.01 O ATOM 79 CB GLU A 95 3.010 4.078 7.837 1.00 1.45 C ATOM 80 CG GLU A 95 1.869 3.202 8.355 1.00 1.90 C ATOM 81 CD GLU A 95 1.185 2.507 7.177 1.00 2.12 C ATOM 82 OE1 GLU A 95 1.795 2.433 6.123 1.00 2.66 O ATOM 83 OE2 GLU A 95 0.062 2.063 7.347 1.00 2.49 O ATOM 0 H GLU A 95 1.916 4.435 5.740 1.00 1.19 H new ATOM 0 HA GLU A 95 1.729 5.801 8.242 1.00 1.23 H new ATOM 0 HB2 GLU A 95 3.448 3.632 6.944 1.00 1.45 H new ATOM 0 HB3 GLU A 95 3.802 4.140 8.583 1.00 1.45 H new ATOM 0 HG2 GLU A 95 2.254 2.460 9.055 1.00 1.90 H new ATOM 0 HG3 GLU A 95 1.148 3.811 8.901 1.00 1.90 H new ATOM 90 N GLU A 96 4.552 6.390 6.657 1.00 1.02 N ATOM 91 CA GLU A 96 5.686 7.359 6.637 1.00 0.94 C ATOM 92 C GLU A 96 5.410 8.476 5.626 1.00 0.79 C ATOM 93 O GLU A 96 5.860 9.593 5.782 1.00 0.82 O ATOM 94 CB GLU A 96 6.900 6.535 6.209 1.00 1.15 C ATOM 95 CG GLU A 96 8.027 6.717 7.227 1.00 1.62 C ATOM 96 CD GLU A 96 8.989 5.532 7.138 1.00 1.99 C ATOM 97 OE1 GLU A 96 8.521 4.407 7.213 1.00 2.18 O ATOM 98 OE2 GLU A 96 10.178 5.768 6.996 1.00 2.78 O ATOM 0 H GLU A 96 4.584 5.669 5.936 1.00 1.02 H new ATOM 0 HA GLU A 96 5.838 7.838 7.604 1.00 0.94 H new ATOM 0 HB2 GLU A 96 6.630 5.482 6.135 1.00 1.15 H new ATOM 0 HB3 GLU A 96 7.235 6.849 5.220 1.00 1.15 H new ATOM 0 HG2 GLU A 96 8.560 7.648 7.033 1.00 1.62 H new ATOM 0 HG3 GLU A 96 7.615 6.790 8.233 1.00 1.62 H new ATOM 105 N LEU A 97 4.672 8.182 4.590 1.00 0.77 N ATOM 106 CA LEU A 97 4.367 9.227 3.571 1.00 0.71 C ATOM 107 C LEU A 97 3.981 10.537 4.262 1.00 0.67 C ATOM 108 O LEU A 97 4.526 11.586 3.979 1.00 0.75 O ATOM 109 CB LEU A 97 3.180 8.673 2.780 1.00 0.80 C ATOM 110 CG LEU A 97 3.611 8.331 1.351 1.00 0.77 C ATOM 111 CD1 LEU A 97 4.406 9.493 0.754 1.00 1.40 C ATOM 112 CD2 LEU A 97 4.481 7.073 1.370 1.00 1.22 C ATOM 0 H LEU A 97 4.267 7.264 4.405 1.00 0.77 H new ATOM 0 HA LEU A 97 5.222 9.442 2.930 1.00 0.71 H new ATOM 0 HB2 LEU A 97 2.789 7.783 3.273 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.374 9.406 2.759 1.00 0.80 H new ATOM 0 HG LEU A 97 2.725 8.154 0.741 1.00 0.77 H new ATOM 0 HD11 LEU A 97 4.709 9.242 -0.263 1.00 1.40 H new ATOM 0 HD12 LEU A 97 3.784 10.388 0.737 1.00 1.40 H new ATOM 0 HD13 LEU A 97 5.292 9.678 1.362 1.00 1.40 H new ATOM 0 HD21 LEU A 97 4.789 6.828 0.353 1.00 1.22 H new ATOM 0 HD22 LEU A 97 5.364 7.251 1.984 1.00 1.22 H new ATOM 0 HD23 LEU A 97 3.911 6.243 1.787 1.00 1.22 H new ATOM 124 N SER A 98 3.042 10.483 5.167 1.00 0.69 N ATOM 125 CA SER A 98 2.617 11.721 5.878 1.00 0.76 C ATOM 126 C SER A 98 3.843 12.499 6.364 1.00 0.72 C ATOM 127 O SER A 98 4.064 13.630 5.978 1.00 0.77 O ATOM 128 CB SER A 98 1.786 11.231 7.062 1.00 0.92 C ATOM 129 OG SER A 98 2.613 10.476 7.938 1.00 1.57 O ATOM 0 H SER A 98 2.550 9.633 5.445 1.00 0.69 H new ATOM 0 HA SER A 98 2.050 12.394 5.235 1.00 0.76 H new ATOM 0 HB2 SER A 98 1.354 12.079 7.593 1.00 0.92 H new ATOM 0 HB3 SER A 98 0.956 10.619 6.710 1.00 0.92 H new ATOM 0 HG SER A 98 2.082 10.162 8.699 1.00 1.57 H new ATOM 135 N ASP A 99 4.642 11.903 7.207 1.00 0.80 N ATOM 136 CA ASP A 99 5.854 12.612 7.713 1.00 0.86 C ATOM 137 C ASP A 99 6.747 13.028 6.543 1.00 0.81 C ATOM 138 O ASP A 99 7.213 14.149 6.473 1.00 0.91 O ATOM 139 CB ASP A 99 6.571 11.592 8.598 1.00 1.02 C ATOM 140 CG ASP A 99 7.379 12.326 9.670 1.00 1.23 C ATOM 141 OD1 ASP A 99 8.165 13.185 9.307 1.00 1.79 O ATOM 142 OD2 ASP A 99 7.197 12.016 10.837 1.00 1.83 O ATOM 0 H ASP A 99 4.509 10.958 7.567 1.00 0.80 H new ATOM 0 HA ASP A 99 5.603 13.520 8.261 1.00 0.86 H new ATOM 0 HB2 ASP A 99 5.845 10.927 9.066 1.00 1.02 H new ATOM 0 HB3 ASP A 99 7.230 10.969 7.993 1.00 1.02 H new ATOM 147 N LEU A 100 6.989 12.136 5.622 1.00 0.75 N ATOM 148 CA LEU A 100 7.850 12.485 4.458 1.00 0.76 C ATOM 149 C LEU A 100 7.232 13.649 3.679 1.00 0.68 C ATOM 150 O LEU A 100 7.922 14.416 3.038 1.00 0.79 O ATOM 151 CB LEU A 100 7.885 11.220 3.600 1.00 0.86 C ATOM 152 CG LEU A 100 8.618 11.510 2.290 1.00 0.79 C ATOM 153 CD1 LEU A 100 10.085 11.101 2.424 1.00 1.41 C ATOM 154 CD2 LEU A 100 7.967 10.713 1.158 1.00 1.41 C ATOM 0 H LEU A 100 6.628 11.182 5.625 1.00 0.75 H new ATOM 0 HA LEU A 100 8.850 12.799 4.759 1.00 0.76 H new ATOM 0 HB2 LEU A 100 8.387 10.416 4.139 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.870 10.880 3.393 1.00 0.86 H new ATOM 0 HG LEU A 100 8.559 12.575 2.067 1.00 0.79 H new ATOM 0 HD11 LEU A 100 10.607 11.308 1.490 1.00 1.41 H new ATOM 0 HD12 LEU A 100 10.548 11.667 3.232 1.00 1.41 H new ATOM 0 HD13 LEU A 100 10.147 10.036 2.646 1.00 1.41 H new ATOM 0 HD21 LEU A 100 8.488 10.918 0.223 1.00 1.41 H new ATOM 0 HD22 LEU A 100 8.028 9.648 1.381 1.00 1.41 H new ATOM 0 HD23 LEU A 100 6.921 11.005 1.062 1.00 1.41 H new ATOM 166 N PHE A 101 5.935 13.786 3.732 1.00 0.60 N ATOM 167 CA PHE A 101 5.271 14.901 2.998 1.00 0.59 C ATOM 168 C PHE A 101 5.562 16.235 3.691 1.00 0.60 C ATOM 169 O PHE A 101 6.263 17.078 3.167 1.00 0.72 O ATOM 170 CB PHE A 101 3.777 14.582 3.054 1.00 0.61 C ATOM 171 CG PHE A 101 3.006 15.652 2.319 1.00 0.58 C ATOM 172 CD1 PHE A 101 3.067 15.725 0.922 1.00 0.86 C ATOM 173 CD2 PHE A 101 2.229 16.571 3.034 1.00 0.68 C ATOM 174 CE1 PHE A 101 2.352 16.717 0.241 1.00 0.90 C ATOM 175 CE2 PHE A 101 1.514 17.564 2.353 1.00 0.73 C ATOM 176 CZ PHE A 101 1.576 17.637 0.956 1.00 0.69 C ATOM 0 H PHE A 101 5.306 13.174 4.252 1.00 0.60 H new ATOM 0 HA PHE A 101 5.628 14.990 1.972 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.585 13.607 2.605 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.445 14.526 4.091 1.00 0.61 H new ATOM 0 HD1 PHE A 101 3.666 15.016 0.370 1.00 0.86 H new ATOM 0 HD2 PHE A 101 2.181 16.514 4.111 1.00 0.68 H new ATOM 0 HE1 PHE A 101 2.399 16.773 -0.837 1.00 0.90 H new ATOM 0 HE2 PHE A 101 0.915 18.273 2.905 1.00 0.73 H new ATOM 0 HZ PHE A 101 1.025 18.403 0.430 1.00 0.69 H new ATOM 186 N ARG A 102 5.030 16.434 4.867 1.00 0.67 N ATOM 187 CA ARG A 102 5.280 17.715 5.589 1.00 0.76 C ATOM 188 C ARG A 102 6.785 17.986 5.667 1.00 0.68 C ATOM 189 O ARG A 102 7.217 19.108 5.850 1.00 0.78 O ATOM 190 CB ARG A 102 4.691 17.507 6.988 1.00 0.99 C ATOM 191 CG ARG A 102 5.636 16.642 7.827 1.00 1.30 C ATOM 192 CD ARG A 102 4.833 15.881 8.884 1.00 1.45 C ATOM 193 NE ARG A 102 4.089 16.931 9.635 1.00 2.12 N ATOM 194 CZ ARG A 102 4.719 17.708 10.476 1.00 2.71 C ATOM 195 NH1 ARG A 102 6.005 17.573 10.657 1.00 3.07 N ATOM 196 NH2 ARG A 102 4.062 18.623 11.135 1.00 3.37 N ATOM 0 H ARG A 102 4.435 15.767 5.358 1.00 0.67 H new ATOM 0 HA ARG A 102 4.829 18.571 5.087 1.00 0.76 H new ATOM 0 HB2 ARG A 102 4.537 18.470 7.474 1.00 0.99 H new ATOM 0 HB3 ARG A 102 3.715 17.028 6.914 1.00 0.99 H new ATOM 0 HG2 ARG A 102 6.169 15.940 7.185 1.00 1.30 H new ATOM 0 HG3 ARG A 102 6.388 17.268 8.308 1.00 1.30 H new ATOM 0 HD2 ARG A 102 4.150 15.168 8.423 1.00 1.45 H new ATOM 0 HD3 ARG A 102 5.489 15.313 9.544 1.00 1.45 H new ATOM 0 HE ARG A 102 3.085 17.044 9.492 1.00 2.12 H new ATOM 0 HH11 ARG A 102 6.520 16.860 10.141 1.00 3.07 H new ATOM 0 HH12 ARG A 102 6.494 18.181 11.314 1.00 3.07 H new ATOM 0 HH21 ARG A 102 3.058 18.731 10.993 1.00 3.37 H new ATOM 0 HH22 ARG A 102 4.553 19.230 11.792 1.00 3.37 H new ATOM 210 N MET A 103 7.587 16.966 5.528 1.00 0.71 N ATOM 211 CA MET A 103 9.063 17.161 5.592 1.00 0.75 C ATOM 212 C MET A 103 9.567 17.810 4.301 1.00 0.68 C ATOM 213 O MET A 103 10.561 18.508 4.293 1.00 0.83 O ATOM 214 CB MET A 103 9.640 15.753 5.745 1.00 0.93 C ATOM 215 CG MET A 103 11.157 15.838 5.923 1.00 1.27 C ATOM 216 SD MET A 103 11.957 14.615 4.855 1.00 1.82 S ATOM 217 CE MET A 103 11.885 13.225 6.011 1.00 2.43 C ATOM 0 H MET A 103 7.283 16.005 5.373 1.00 0.71 H new ATOM 0 HA MET A 103 9.359 17.815 6.412 1.00 0.75 H new ATOM 0 HB2 MET A 103 9.190 15.256 6.604 1.00 0.93 H new ATOM 0 HB3 MET A 103 9.399 15.153 4.867 1.00 0.93 H new ATOM 0 HG2 MET A 103 11.508 16.839 5.674 1.00 1.27 H new ATOM 0 HG3 MET A 103 11.423 15.657 6.964 1.00 1.27 H new ATOM 0 HE1 MET A 103 12.333 12.345 5.550 1.00 2.43 H new ATOM 0 HE2 MET A 103 12.433 13.478 6.919 1.00 2.43 H new ATOM 0 HE3 MET A 103 10.845 13.014 6.262 1.00 2.43 H new ATOM 227 N PHE A 104 8.891 17.583 3.208 1.00 0.68 N ATOM 228 CA PHE A 104 9.335 18.186 1.918 1.00 0.79 C ATOM 229 C PHE A 104 8.850 19.634 1.813 1.00 0.71 C ATOM 230 O PHE A 104 9.556 20.501 1.339 1.00 0.88 O ATOM 231 CB PHE A 104 8.689 17.320 0.836 1.00 0.94 C ATOM 232 CG PHE A 104 9.554 16.110 0.583 1.00 1.31 C ATOM 233 CD1 PHE A 104 10.933 16.263 0.400 1.00 2.03 C ATOM 234 CD2 PHE A 104 8.979 14.835 0.532 1.00 1.26 C ATOM 235 CE1 PHE A 104 11.738 15.142 0.167 1.00 2.65 C ATOM 236 CE2 PHE A 104 9.783 13.713 0.299 1.00 1.86 C ATOM 237 CZ PHE A 104 11.163 13.867 0.116 1.00 2.56 C ATOM 0 H PHE A 104 8.051 17.007 3.152 1.00 0.68 H new ATOM 0 HA PHE A 104 10.421 18.212 1.825 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.692 17.010 1.150 1.00 0.94 H new ATOM 0 HB3 PHE A 104 8.570 17.894 -0.083 1.00 0.94 H new ATOM 0 HD1 PHE A 104 11.376 17.247 0.439 1.00 2.03 H new ATOM 0 HD2 PHE A 104 7.915 14.717 0.672 1.00 1.26 H new ATOM 0 HE1 PHE A 104 12.802 15.261 0.027 1.00 2.65 H new ATOM 0 HE2 PHE A 104 9.339 12.729 0.260 1.00 1.86 H new ATOM 0 HZ PHE A 104 11.784 13.002 -0.065 1.00 2.56 H new ATOM 247 N ASP A 105 7.651 19.903 2.252 1.00 0.61 N ATOM 248 CA ASP A 105 7.126 21.296 2.175 1.00 0.60 C ATOM 249 C ASP A 105 8.109 22.268 2.832 1.00 0.56 C ATOM 250 O ASP A 105 8.100 22.461 4.031 1.00 0.63 O ATOM 251 CB ASP A 105 5.805 21.265 2.943 1.00 0.68 C ATOM 252 CG ASP A 105 5.123 22.630 2.842 1.00 0.86 C ATOM 253 OD1 ASP A 105 5.327 23.300 1.843 1.00 0.84 O ATOM 254 OD2 ASP A 105 4.408 22.983 3.766 1.00 1.45 O ATOM 0 H ASP A 105 7.013 19.220 2.660 1.00 0.61 H new ATOM 0 HA ASP A 105 6.990 21.630 1.147 1.00 0.60 H new ATOM 0 HB2 ASP A 105 5.154 20.491 2.537 1.00 0.68 H new ATOM 0 HB3 ASP A 105 5.986 21.014 3.988 1.00 0.68 H new ATOM 259 N LYS A 106 8.959 22.881 2.053 1.00 0.59 N ATOM 260 CA LYS A 106 9.944 23.841 2.630 1.00 0.66 C ATOM 261 C LYS A 106 9.217 25.043 3.240 1.00 0.55 C ATOM 262 O LYS A 106 9.658 25.617 4.215 1.00 0.63 O ATOM 263 CB LYS A 106 10.806 24.281 1.446 1.00 0.87 C ATOM 264 CG LYS A 106 12.231 24.565 1.927 1.00 1.21 C ATOM 265 CD LYS A 106 13.115 23.346 1.655 1.00 1.61 C ATOM 266 CE LYS A 106 14.567 23.678 2.009 1.00 1.77 C ATOM 267 NZ LYS A 106 15.383 22.685 1.256 1.00 2.14 N ATOM 0 H LYS A 106 9.014 22.759 1.042 1.00 0.59 H new ATOM 0 HA LYS A 106 10.540 23.394 3.426 1.00 0.66 H new ATOM 0 HB2 LYS A 106 10.817 23.503 0.682 1.00 0.87 H new ATOM 0 HB3 LYS A 106 10.382 25.173 0.986 1.00 0.87 H new ATOM 0 HG2 LYS A 106 12.632 25.439 1.414 1.00 1.21 H new ATOM 0 HG3 LYS A 106 12.227 24.794 2.993 1.00 1.21 H new ATOM 0 HD2 LYS A 106 12.771 22.496 2.244 1.00 1.61 H new ATOM 0 HD3 LYS A 106 13.042 23.058 0.606 1.00 1.61 H new ATOM 0 HE2 LYS A 106 14.821 24.698 1.720 1.00 1.77 H new ATOM 0 HE3 LYS A 106 14.740 23.599 3.082 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 16.392 22.848 1.448 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 15.125 21.724 1.557 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 15.203 22.789 0.237 1.00 2.14 H new ATOM 281 N ASN A 107 8.106 25.427 2.672 1.00 0.48 N ATOM 282 CA ASN A 107 7.353 26.592 3.220 1.00 0.50 C ATOM 283 C ASN A 107 6.767 26.247 4.592 1.00 0.58 C ATOM 284 O ASN A 107 6.487 27.114 5.395 1.00 0.70 O ATOM 285 CB ASN A 107 6.236 26.851 2.208 1.00 0.54 C ATOM 286 CG ASN A 107 5.384 28.032 2.677 1.00 0.70 C ATOM 287 OD1 ASN A 107 5.806 28.808 3.511 1.00 1.00 O ATOM 288 ND2 ASN A 107 4.193 28.203 2.171 1.00 0.78 N ATOM 0 H ASN A 107 7.687 24.985 1.853 1.00 0.48 H new ATOM 0 HA ASN A 107 7.988 27.467 3.359 1.00 0.50 H new ATOM 0 HB2 ASN A 107 6.662 27.063 1.227 1.00 0.54 H new ATOM 0 HB3 ASN A 107 5.615 25.962 2.100 1.00 0.54 H new ATOM 0 HD21 ASN A 107 3.617 28.988 2.476 1.00 0.78 H new ATOM 0 HD22 ASN A 107 3.838 27.552 1.471 1.00 0.78 H new ATOM 295 N ALA A 108 6.581 24.984 4.866 1.00 0.65 N ATOM 296 CA ALA A 108 6.015 24.580 6.186 1.00 0.84 C ATOM 297 C ALA A 108 4.631 25.202 6.385 1.00 0.78 C ATOM 298 O ALA A 108 4.462 26.137 7.143 1.00 0.96 O ATOM 299 CB ALA A 108 7.000 25.123 7.222 1.00 1.03 C ATOM 0 H ALA A 108 6.796 24.214 4.233 1.00 0.65 H new ATOM 0 HA ALA A 108 5.890 23.500 6.267 1.00 0.84 H new ATOM 0 HB1 ALA A 108 6.653 24.866 8.223 1.00 1.03 H new ATOM 0 HB2 ALA A 108 7.983 24.683 7.055 1.00 1.03 H new ATOM 0 HB3 ALA A 108 7.066 26.207 7.128 1.00 1.03 H new ATOM 305 N ASP A 109 3.639 24.690 5.710 1.00 0.73 N ATOM 306 CA ASP A 109 2.266 25.251 5.860 1.00 0.74 C ATOM 307 C ASP A 109 1.225 24.129 5.782 1.00 0.78 C ATOM 308 O ASP A 109 0.038 24.375 5.702 1.00 0.96 O ATOM 309 CB ASP A 109 2.104 26.219 4.688 1.00 0.72 C ATOM 310 CG ASP A 109 2.212 25.447 3.373 1.00 1.15 C ATOM 311 OD1 ASP A 109 2.464 24.255 3.429 1.00 1.95 O ATOM 312 OD2 ASP A 109 2.042 26.061 2.332 1.00 1.66 O ATOM 0 H ASP A 109 3.719 23.907 5.061 1.00 0.73 H new ATOM 0 HA ASP A 109 2.124 25.748 6.820 1.00 0.74 H new ATOM 0 HB2 ASP A 109 1.139 26.723 4.749 1.00 0.72 H new ATOM 0 HB3 ASP A 109 2.871 26.993 4.732 1.00 0.72 H new ATOM 317 N GLY A 110 1.662 22.899 5.808 1.00 0.76 N ATOM 318 CA GLY A 110 0.699 21.763 5.739 1.00 0.85 C ATOM 319 C GLY A 110 0.522 21.323 4.284 1.00 0.70 C ATOM 320 O GLY A 110 0.204 20.184 4.006 1.00 0.73 O ATOM 0 H GLY A 110 2.644 22.632 5.874 1.00 0.76 H new ATOM 0 HA2 GLY A 110 1.062 20.929 6.339 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -0.262 22.062 6.158 1.00 0.85 H new ATOM 324 N TYR A 111 0.721 22.215 3.352 1.00 0.68 N ATOM 325 CA TYR A 111 0.559 21.841 1.917 1.00 0.60 C ATOM 326 C TYR A 111 1.817 22.206 1.125 1.00 0.58 C ATOM 327 O TYR A 111 2.753 22.774 1.652 1.00 0.83 O ATOM 328 CB TYR A 111 -0.639 22.657 1.432 1.00 0.68 C ATOM 329 CG TYR A 111 -1.861 22.276 2.232 1.00 0.68 C ATOM 330 CD1 TYR A 111 -1.964 22.656 3.576 1.00 0.71 C ATOM 331 CD2 TYR A 111 -2.890 21.541 1.632 1.00 0.78 C ATOM 332 CE1 TYR A 111 -3.095 22.302 4.319 1.00 0.78 C ATOM 333 CE2 TYR A 111 -4.022 21.186 2.376 1.00 0.83 C ATOM 334 CZ TYR A 111 -4.125 21.567 3.720 1.00 0.80 C ATOM 335 OH TYR A 111 -5.241 21.218 4.453 1.00 0.90 O ATOM 0 H TYR A 111 0.988 23.185 3.521 1.00 0.68 H new ATOM 0 HA TYR A 111 0.405 20.770 1.784 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -0.436 23.722 1.542 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -0.813 22.474 0.372 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -1.170 23.223 4.039 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -2.811 21.248 0.596 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -3.174 22.596 5.355 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -4.816 20.618 1.913 1.00 0.83 H new ATOM 0 HH TYR A 111 -5.859 20.711 3.886 1.00 0.90 H new ATOM 345 N ILE A 112 1.847 21.883 -0.139 1.00 0.50 N ATOM 346 CA ILE A 112 3.044 22.209 -0.967 1.00 0.50 C ATOM 347 C ILE A 112 2.621 22.949 -2.239 1.00 0.49 C ATOM 348 O ILE A 112 1.744 22.513 -2.958 1.00 0.66 O ATOM 349 CB ILE A 112 3.667 20.854 -1.313 1.00 0.50 C ATOM 350 CG1 ILE A 112 4.444 20.328 -0.104 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.620 21.012 -2.500 1.00 0.58 C ATOM 352 CD1 ILE A 112 5.183 19.046 -0.492 1.00 0.66 C ATOM 0 H ILE A 112 1.094 21.407 -0.635 1.00 0.50 H new ATOM 0 HA ILE A 112 3.746 22.857 -0.443 1.00 0.50 H new ATOM 0 HB ILE A 112 2.877 20.150 -1.575 1.00 0.50 H new ATOM 0 HG12 ILE A 112 5.154 21.080 0.241 1.00 0.62 H new ATOM 0 HG13 ILE A 112 3.762 20.131 0.723 1.00 0.62 H new ATOM 0 HG21 ILE A 112 5.061 20.046 -2.743 1.00 0.58 H new ATOM 0 HG22 ILE A 112 4.068 21.386 -3.362 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.410 21.717 -2.241 1.00 0.58 H new ATOM 0 HD11 ILE A 112 5.737 18.671 0.369 1.00 0.66 H new ATOM 0 HD12 ILE A 112 4.463 18.295 -0.816 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.877 19.258 -1.306 1.00 0.66 H new ATOM 364 N ASP A 113 3.240 24.062 -2.525 1.00 0.47 N ATOM 365 CA ASP A 113 2.874 24.824 -3.753 1.00 0.50 C ATOM 366 C ASP A 113 3.843 24.488 -4.889 1.00 0.50 C ATOM 367 O ASP A 113 4.804 23.769 -4.705 1.00 0.57 O ATOM 368 CB ASP A 113 2.996 26.297 -3.361 1.00 0.60 C ATOM 369 CG ASP A 113 1.910 26.646 -2.342 1.00 1.17 C ATOM 370 OD1 ASP A 113 0.763 26.758 -2.742 1.00 1.85 O ATOM 371 OD2 ASP A 113 2.244 26.797 -1.178 1.00 1.77 O ATOM 0 H ASP A 113 3.983 24.476 -1.962 1.00 0.47 H new ATOM 0 HA ASP A 113 1.872 24.581 -4.106 1.00 0.50 H new ATOM 0 HB2 ASP A 113 3.982 26.491 -2.938 1.00 0.60 H new ATOM 0 HB3 ASP A 113 2.897 26.929 -4.244 1.00 0.60 H new ATOM 376 N LEU A 114 3.595 25.000 -6.063 1.00 0.52 N ATOM 377 CA LEU A 114 4.498 24.708 -7.213 1.00 0.57 C ATOM 378 C LEU A 114 5.881 25.323 -6.980 1.00 0.63 C ATOM 379 O LEU A 114 6.895 24.728 -7.288 1.00 0.80 O ATOM 380 CB LEU A 114 3.819 25.357 -8.419 1.00 0.62 C ATOM 381 CG LEU A 114 2.826 24.372 -9.037 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.400 24.777 -8.659 1.00 0.91 C ATOM 383 CD2 LEU A 114 2.975 24.389 -10.560 1.00 0.81 C ATOM 0 H LEU A 114 2.805 25.609 -6.276 1.00 0.52 H new ATOM 0 HA LEU A 114 4.652 23.638 -7.354 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.302 26.267 -8.113 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.566 25.648 -9.157 1.00 0.62 H new ATOM 0 HG LEU A 114 3.028 23.369 -8.662 1.00 0.61 H new ATOM 0 HD11 LEU A 114 0.693 24.074 -9.100 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.294 24.766 -7.574 1.00 0.91 H new ATOM 0 HD13 LEU A 114 1.195 25.780 -9.033 1.00 0.91 H new ATOM 0 HD21 LEU A 114 2.268 23.687 -11.003 1.00 0.81 H new ATOM 0 HD22 LEU A 114 2.773 25.393 -10.934 1.00 0.81 H new ATOM 0 HD23 LEU A 114 3.991 24.099 -10.829 1.00 0.81 H new ATOM 395 N ASP A 115 5.932 26.511 -6.442 1.00 0.61 N ATOM 396 CA ASP A 115 7.252 27.162 -6.197 1.00 0.71 C ATOM 397 C ASP A 115 8.110 26.305 -5.260 1.00 0.65 C ATOM 398 O ASP A 115 9.315 26.446 -5.208 1.00 0.89 O ATOM 399 CB ASP A 115 6.917 28.501 -5.539 1.00 0.80 C ATOM 400 CG ASP A 115 8.153 29.403 -5.559 1.00 1.17 C ATOM 401 OD1 ASP A 115 9.250 28.872 -5.504 1.00 1.76 O ATOM 402 OD2 ASP A 115 7.982 30.609 -5.630 1.00 1.76 O ATOM 0 H ASP A 115 5.119 27.059 -6.162 1.00 0.61 H new ATOM 0 HA ASP A 115 7.822 27.288 -7.117 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.094 28.982 -6.067 1.00 0.80 H new ATOM 0 HB3 ASP A 115 6.587 28.341 -4.513 1.00 0.80 H new ATOM 407 N GLU A 116 7.500 25.421 -4.519 1.00 0.51 N ATOM 408 CA GLU A 116 8.288 24.562 -3.587 1.00 0.48 C ATOM 409 C GLU A 116 8.587 23.208 -4.235 1.00 0.49 C ATOM 410 O GLU A 116 9.572 22.565 -3.927 1.00 0.63 O ATOM 411 CB GLU A 116 7.393 24.384 -2.361 1.00 0.48 C ATOM 412 CG GLU A 116 6.898 25.752 -1.891 1.00 0.57 C ATOM 413 CD GLU A 116 5.905 25.570 -0.741 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.867 24.485 -0.184 1.00 1.19 O ATOM 415 OE2 GLU A 116 5.199 26.518 -0.438 1.00 1.36 O ATOM 0 H GLU A 116 6.493 25.256 -4.518 1.00 0.51 H new ATOM 0 HA GLU A 116 9.249 25.007 -3.330 1.00 0.48 H new ATOM 0 HB2 GLU A 116 6.546 23.743 -2.605 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.946 23.891 -1.562 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.740 26.362 -1.565 1.00 0.57 H new ATOM 0 HG3 GLU A 116 6.421 26.281 -2.716 1.00 0.57 H new ATOM 422 N LEU A 117 7.747 22.768 -5.131 1.00 0.48 N ATOM 423 CA LEU A 117 7.987 21.454 -5.794 1.00 0.52 C ATOM 424 C LEU A 117 9.360 21.446 -6.473 1.00 0.58 C ATOM 425 O LEU A 117 10.196 20.611 -6.190 1.00 0.69 O ATOM 426 CB LEU A 117 6.874 21.324 -6.834 1.00 0.55 C ATOM 427 CG LEU A 117 5.535 21.117 -6.126 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.400 21.219 -7.145 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.512 19.733 -5.471 1.00 0.53 C ATOM 0 H LEU A 117 6.906 23.260 -5.433 1.00 0.48 H new ATOM 0 HA LEU A 117 7.979 20.627 -5.084 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.835 22.220 -7.454 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.079 20.485 -7.499 1.00 0.55 H new ATOM 0 HG LEU A 117 5.406 21.882 -5.361 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.445 21.072 -6.641 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.417 22.204 -7.611 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.528 20.454 -7.911 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.557 19.585 -4.966 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.641 18.967 -6.235 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.322 19.661 -4.745 1.00 0.53 H new ATOM 441 N LYS A 118 9.598 22.365 -7.368 1.00 0.59 N ATOM 442 CA LYS A 118 10.918 22.402 -8.062 1.00 0.69 C ATOM 443 C LYS A 118 12.057 22.369 -7.039 1.00 0.64 C ATOM 444 O LYS A 118 13.138 21.889 -7.315 1.00 0.73 O ATOM 445 CB LYS A 118 10.926 23.722 -8.834 1.00 0.83 C ATOM 446 CG LYS A 118 10.715 24.884 -7.864 1.00 0.99 C ATOM 447 CD LYS A 118 10.187 26.098 -8.630 1.00 1.35 C ATOM 448 CE LYS A 118 11.051 27.320 -8.310 1.00 1.51 C ATOM 449 NZ LYS A 118 11.833 27.573 -9.552 1.00 1.99 N ATOM 0 H LYS A 118 8.938 23.090 -7.649 1.00 0.59 H new ATOM 0 HA LYS A 118 11.060 21.545 -8.721 1.00 0.69 H new ATOM 0 HB2 LYS A 118 11.873 23.842 -9.360 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.140 23.718 -9.589 1.00 0.83 H new ATOM 0 HG2 LYS A 118 10.009 24.597 -7.084 1.00 0.99 H new ATOM 0 HG3 LYS A 118 11.653 25.133 -7.369 1.00 0.99 H new ATOM 0 HD2 LYS A 118 10.202 25.900 -9.702 1.00 1.35 H new ATOM 0 HD3 LYS A 118 9.150 26.291 -8.356 1.00 1.35 H new ATOM 0 HE2 LYS A 118 10.436 28.181 -8.048 1.00 1.51 H new ATOM 0 HE3 LYS A 118 11.708 27.128 -7.462 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 12.451 28.398 -9.411 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 12.414 26.739 -9.773 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 11.181 27.759 -10.341 1.00 1.99 H new ATOM 463 N ILE A 119 11.822 22.873 -5.858 1.00 0.68 N ATOM 464 CA ILE A 119 12.892 22.866 -4.818 1.00 0.74 C ATOM 465 C ILE A 119 12.814 21.579 -3.992 1.00 0.75 C ATOM 466 O ILE A 119 13.786 21.146 -3.405 1.00 0.85 O ATOM 467 CB ILE A 119 12.602 24.086 -3.943 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.900 25.361 -4.735 1.00 1.22 C ATOM 469 CG2 ILE A 119 13.489 24.045 -2.697 1.00 1.08 C ATOM 470 CD1 ILE A 119 12.429 26.579 -3.937 1.00 1.06 C ATOM 0 H ILE A 119 10.937 23.289 -5.568 1.00 0.68 H new ATOM 0 HA ILE A 119 13.892 22.906 -5.251 1.00 0.74 H new ATOM 0 HB ILE A 119 11.554 24.077 -3.644 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.969 25.436 -4.936 1.00 1.22 H new ATOM 0 HG13 ILE A 119 12.396 25.328 -5.701 1.00 1.22 H new ATOM 0 HG21 ILE A 119 13.282 24.915 -2.074 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.281 23.136 -2.132 1.00 1.08 H new ATOM 0 HG23 ILE A 119 14.537 24.054 -2.996 1.00 1.08 H new ATOM 0 HD11 ILE A 119 12.641 27.487 -4.501 1.00 1.06 H new ATOM 0 HD12 ILE A 119 11.356 26.505 -3.759 1.00 1.06 H new ATOM 0 HD13 ILE A 119 12.954 26.614 -2.982 1.00 1.06 H new ATOM 482 N MET A 120 11.665 20.963 -3.944 1.00 0.85 N ATOM 483 CA MET A 120 11.527 19.702 -3.160 1.00 1.01 C ATOM 484 C MET A 120 12.450 18.626 -3.739 1.00 0.95 C ATOM 485 O MET A 120 13.046 17.851 -3.018 1.00 1.11 O ATOM 486 CB MET A 120 10.059 19.299 -3.315 1.00 1.17 C ATOM 487 CG MET A 120 9.886 17.828 -2.934 1.00 1.52 C ATOM 488 SD MET A 120 8.132 17.388 -3.011 1.00 1.88 S ATOM 489 CE MET A 120 8.293 15.699 -2.380 1.00 1.43 C ATOM 0 H MET A 120 10.816 21.278 -4.413 1.00 0.85 H new ATOM 0 HA MET A 120 11.802 19.827 -2.113 1.00 1.01 H new ATOM 0 HB2 MET A 120 9.431 19.925 -2.681 1.00 1.17 H new ATOM 0 HB3 MET A 120 9.734 19.459 -4.343 1.00 1.17 H new ATOM 0 HG2 MET A 120 10.461 17.196 -3.611 1.00 1.52 H new ATOM 0 HG3 MET A 120 10.272 17.653 -1.930 1.00 1.52 H new ATOM 0 HE1 MET A 120 8.030 14.991 -3.166 1.00 1.43 H new ATOM 0 HE2 MET A 120 9.322 15.525 -2.064 1.00 1.43 H new ATOM 0 HE3 MET A 120 7.624 15.563 -1.530 1.00 1.43 H new ATOM 499 N LEU A 121 12.575 18.578 -5.037 1.00 0.87 N ATOM 500 CA LEU A 121 13.462 17.558 -5.667 1.00 0.95 C ATOM 501 C LEU A 121 14.886 18.108 -5.792 1.00 0.87 C ATOM 502 O LEU A 121 15.816 17.390 -6.099 1.00 0.97 O ATOM 503 CB LEU A 121 12.858 17.312 -7.051 1.00 1.09 C ATOM 504 CG LEU A 121 11.990 16.053 -7.018 1.00 1.41 C ATOM 505 CD1 LEU A 121 12.885 14.815 -6.944 1.00 2.03 C ATOM 506 CD2 LEU A 121 11.076 16.094 -5.791 1.00 1.80 C ATOM 0 H LEU A 121 12.101 19.202 -5.690 1.00 0.87 H new ATOM 0 HA LEU A 121 13.524 16.641 -5.081 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.259 18.171 -7.355 1.00 1.09 H new ATOM 0 HB3 LEU A 121 13.651 17.199 -7.790 1.00 1.09 H new ATOM 0 HG LEU A 121 11.383 16.009 -7.923 1.00 1.41 H new ATOM 0 HD11 LEU A 121 12.265 13.919 -6.921 1.00 2.03 H new ATOM 0 HD12 LEU A 121 13.535 14.784 -7.818 1.00 2.03 H new ATOM 0 HD13 LEU A 121 13.493 14.859 -6.041 1.00 2.03 H new ATOM 0 HD21 LEU A 121 10.458 15.197 -5.768 1.00 1.80 H new ATOM 0 HD22 LEU A 121 11.683 16.140 -4.887 1.00 1.80 H new ATOM 0 HD23 LEU A 121 10.436 16.975 -5.843 1.00 1.80 H new ATOM 518 N GLN A 122 15.061 19.380 -5.555 1.00 0.82 N ATOM 519 CA GLN A 122 16.423 19.980 -5.660 1.00 0.95 C ATOM 520 C GLN A 122 17.428 19.156 -4.849 1.00 1.04 C ATOM 521 O GLN A 122 18.492 18.814 -5.326 1.00 1.19 O ATOM 522 CB GLN A 122 16.282 21.385 -5.075 1.00 1.14 C ATOM 523 CG GLN A 122 16.799 22.411 -6.085 1.00 1.42 C ATOM 524 CD GLN A 122 16.938 23.774 -5.404 1.00 1.85 C ATOM 525 OE1 GLN A 122 17.592 23.894 -4.387 1.00 2.44 O ATOM 526 NE2 GLN A 122 16.346 24.813 -5.925 1.00 2.28 N ATOM 0 H GLN A 122 14.320 20.030 -5.293 1.00 0.82 H new ATOM 0 HA GLN A 122 16.788 20.002 -6.687 1.00 0.95 H new ATOM 0 HB2 GLN A 122 15.238 21.588 -4.836 1.00 1.14 H new ATOM 0 HB3 GLN A 122 16.843 21.461 -4.144 1.00 1.14 H new ATOM 0 HG2 GLN A 122 17.762 22.092 -6.483 1.00 1.42 H new ATOM 0 HG3 GLN A 122 16.113 22.483 -6.929 1.00 1.42 H new ATOM 0 HE21 GLN A 122 15.797 24.712 -6.779 1.00 2.28 H new ATOM 0 HE22 GLN A 122 16.432 25.726 -5.479 1.00 2.28 H new ATOM 535 N ALA A 123 17.098 18.830 -3.629 1.00 1.09 N ATOM 536 CA ALA A 123 18.036 18.025 -2.794 1.00 1.33 C ATOM 537 C ALA A 123 18.507 16.795 -3.575 1.00 1.38 C ATOM 538 O ALA A 123 19.534 16.216 -3.283 1.00 1.62 O ATOM 539 CB ALA A 123 17.218 17.603 -1.573 1.00 1.45 C ATOM 0 H ALA A 123 16.221 19.085 -3.175 1.00 1.09 H new ATOM 0 HA ALA A 123 18.927 18.586 -2.512 1.00 1.33 H new ATOM 0 HB1 ALA A 123 17.840 17.005 -0.907 1.00 1.45 H new ATOM 0 HB2 ALA A 123 16.870 18.490 -1.044 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.360 17.013 -1.896 1.00 1.45 H new ATOM 545 N THR A 124 17.759 16.393 -4.566 1.00 1.29 N ATOM 546 CA THR A 124 18.157 15.202 -5.369 1.00 1.47 C ATOM 547 C THR A 124 19.034 15.628 -6.550 1.00 1.44 C ATOM 548 O THR A 124 19.788 14.843 -7.091 1.00 1.72 O ATOM 549 CB THR A 124 16.837 14.611 -5.869 1.00 1.56 C ATOM 550 OG1 THR A 124 15.969 14.397 -4.766 1.00 2.16 O ATOM 551 CG2 THR A 124 17.102 13.282 -6.576 1.00 1.92 C ATOM 0 H THR A 124 16.888 16.839 -4.855 1.00 1.29 H new ATOM 0 HA THR A 124 18.736 14.484 -4.788 1.00 1.47 H new ATOM 0 HB THR A 124 16.373 15.304 -6.570 1.00 1.56 H new ATOM 0 HG1 THR A 124 15.458 15.214 -4.589 1.00 2.16 H new ATOM 0 HG21 THR A 124 16.160 12.864 -6.931 1.00 1.92 H new ATOM 0 HG22 THR A 124 17.767 13.447 -7.423 1.00 1.92 H new ATOM 0 HG23 THR A 124 17.568 12.586 -5.879 1.00 1.92 H new ATOM 559 N GLY A 125 18.942 16.866 -6.953 1.00 1.26 N ATOM 560 CA GLY A 125 19.768 17.340 -8.100 1.00 1.32 C ATOM 561 C GLY A 125 18.900 17.415 -9.355 1.00 1.26 C ATOM 562 O GLY A 125 19.351 17.152 -10.452 1.00 1.63 O ATOM 0 H GLY A 125 18.331 17.569 -6.538 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.190 18.320 -7.878 1.00 1.32 H new ATOM 0 HA3 GLY A 125 20.605 16.662 -8.264 1.00 1.32 H new ATOM 566 N GLU A 126 17.654 17.770 -9.203 1.00 1.02 N ATOM 567 CA GLU A 126 16.755 17.860 -10.388 1.00 1.08 C ATOM 568 C GLU A 126 17.090 19.101 -11.217 1.00 0.89 C ATOM 569 O GLU A 126 16.581 20.177 -10.975 1.00 0.87 O ATOM 570 CB GLU A 126 15.345 17.971 -9.806 1.00 1.34 C ATOM 571 CG GLU A 126 15.240 19.244 -8.962 1.00 1.45 C ATOM 572 CD GLU A 126 14.254 20.213 -9.617 1.00 1.61 C ATOM 573 OE1 GLU A 126 13.343 19.743 -10.279 1.00 2.09 O ATOM 574 OE2 GLU A 126 14.426 21.408 -9.445 1.00 2.16 O ATOM 0 H GLU A 126 17.220 18.002 -8.310 1.00 1.02 H new ATOM 0 HA GLU A 126 16.859 17.000 -11.050 1.00 1.08 H new ATOM 0 HB2 GLU A 126 14.609 17.993 -10.610 1.00 1.34 H new ATOM 0 HB3 GLU A 126 15.123 17.097 -9.194 1.00 1.34 H new ATOM 0 HG2 GLU A 126 14.908 18.998 -7.953 1.00 1.45 H new ATOM 0 HG3 GLU A 126 16.220 19.713 -8.869 1.00 1.45 H new ATOM 581 N THR A 127 17.937 18.961 -12.200 1.00 1.09 N ATOM 582 CA THR A 127 18.292 20.135 -13.046 1.00 1.21 C ATOM 583 C THR A 127 17.520 20.069 -14.365 1.00 1.29 C ATOM 584 O THR A 127 17.944 19.442 -15.315 1.00 1.60 O ATOM 585 CB THR A 127 19.796 20.005 -13.296 1.00 1.57 C ATOM 586 OG1 THR A 127 20.120 18.641 -13.528 1.00 1.91 O ATOM 587 CG2 THR A 127 20.565 20.515 -12.076 1.00 2.18 C ATOM 0 H THR A 127 18.397 18.087 -12.453 1.00 1.09 H new ATOM 0 HA THR A 127 18.043 21.084 -12.572 1.00 1.21 H new ATOM 0 HB THR A 127 20.072 20.597 -14.168 1.00 1.57 H new ATOM 0 HG1 THR A 127 19.540 18.282 -14.231 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.636 20.422 -12.256 1.00 2.18 H new ATOM 0 HG22 THR A 127 20.316 21.562 -11.901 1.00 2.18 H new ATOM 0 HG23 THR A 127 20.291 19.926 -11.201 1.00 2.18 H new ATOM 595 N ILE A 128 16.385 20.707 -14.427 1.00 1.08 N ATOM 596 CA ILE A 128 15.581 20.676 -15.680 1.00 1.20 C ATOM 597 C ILE A 128 15.030 22.069 -15.993 1.00 1.18 C ATOM 598 O ILE A 128 15.009 22.943 -15.150 1.00 1.15 O ATOM 599 CB ILE A 128 14.445 19.697 -15.387 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.441 20.354 -14.434 1.00 1.32 C ATOM 601 CG2 ILE A 128 15.017 18.436 -14.738 1.00 1.62 C ATOM 602 CD1 ILE A 128 12.490 19.292 -13.877 1.00 2.03 C ATOM 0 H ILE A 128 15.979 21.249 -13.664 1.00 1.08 H new ATOM 0 HA ILE A 128 16.170 20.373 -16.546 1.00 1.20 H new ATOM 0 HB ILE A 128 13.942 19.431 -16.317 1.00 1.12 H new ATOM 0 HG12 ILE A 128 13.969 20.848 -13.618 1.00 1.32 H new ATOM 0 HG13 ILE A 128 12.875 21.123 -14.960 1.00 1.32 H new ATOM 0 HG21 ILE A 128 14.208 17.736 -14.528 1.00 1.62 H new ATOM 0 HG22 ILE A 128 15.733 17.971 -15.416 1.00 1.62 H new ATOM 0 HG23 ILE A 128 15.518 18.701 -13.807 1.00 1.62 H new ATOM 0 HD11 ILE A 128 11.777 19.762 -13.199 1.00 2.03 H new ATOM 0 HD12 ILE A 128 11.952 18.818 -14.698 1.00 2.03 H new ATOM 0 HD13 ILE A 128 13.063 18.539 -13.336 1.00 2.03 H new ATOM 614 N THR A 129 14.578 22.282 -17.199 1.00 1.34 N ATOM 615 CA THR A 129 14.025 23.618 -17.559 1.00 1.42 C ATOM 616 C THR A 129 12.776 23.912 -16.723 1.00 1.16 C ATOM 617 O THR A 129 12.317 23.082 -15.963 1.00 0.97 O ATOM 618 CB THR A 129 13.665 23.513 -19.042 1.00 1.64 C ATOM 619 OG1 THR A 129 12.703 22.484 -19.221 1.00 2.23 O ATOM 620 CG2 THR A 129 14.921 23.189 -19.852 1.00 2.28 C ATOM 0 H THR A 129 14.568 21.590 -17.949 1.00 1.34 H new ATOM 0 HA THR A 129 14.734 24.424 -17.369 1.00 1.42 H new ATOM 0 HB THR A 129 13.251 24.461 -19.385 1.00 1.64 H new ATOM 0 HG1 THR A 129 12.469 22.416 -20.170 1.00 2.23 H new ATOM 0 HG21 THR A 129 14.663 23.114 -20.908 1.00 2.28 H new ATOM 0 HG22 THR A 129 15.658 23.980 -19.713 1.00 2.28 H new ATOM 0 HG23 THR A 129 15.338 22.241 -19.513 1.00 2.28 H new ATOM 628 N GLU A 130 12.223 25.086 -16.856 1.00 1.31 N ATOM 629 CA GLU A 130 11.005 25.429 -16.068 1.00 1.28 C ATOM 630 C GLU A 130 9.765 24.806 -16.717 1.00 1.16 C ATOM 631 O GLU A 130 8.745 24.627 -16.082 1.00 1.21 O ATOM 632 CB GLU A 130 10.922 26.955 -16.109 1.00 1.69 C ATOM 633 CG GLU A 130 9.526 27.404 -15.673 1.00 2.05 C ATOM 634 CD GLU A 130 9.418 28.926 -15.784 1.00 2.43 C ATOM 635 OE1 GLU A 130 9.824 29.455 -16.806 1.00 2.70 O ATOM 636 OE2 GLU A 130 8.933 29.536 -14.846 1.00 3.03 O ATOM 0 H GLU A 130 12.561 25.822 -17.476 1.00 1.31 H new ATOM 0 HA GLU A 130 11.054 25.052 -15.046 1.00 1.28 H new ATOM 0 HB2 GLU A 130 11.676 27.388 -15.452 1.00 1.69 H new ATOM 0 HB3 GLU A 130 11.133 27.314 -17.116 1.00 1.69 H new ATOM 0 HG2 GLU A 130 8.769 26.929 -16.297 1.00 2.05 H new ATOM 0 HG3 GLU A 130 9.336 27.090 -14.647 1.00 2.05 H new ATOM 643 N ASP A 131 9.845 24.476 -17.977 1.00 1.18 N ATOM 644 CA ASP A 131 8.670 23.867 -18.664 1.00 1.19 C ATOM 645 C ASP A 131 8.518 22.400 -18.252 1.00 1.07 C ATOM 646 O ASP A 131 7.521 21.766 -18.535 1.00 1.14 O ATOM 647 CB ASP A 131 8.982 23.975 -20.158 1.00 1.44 C ATOM 648 CG ASP A 131 7.751 23.564 -20.968 1.00 1.48 C ATOM 649 OD1 ASP A 131 6.729 23.292 -20.359 1.00 1.91 O ATOM 650 OD2 ASP A 131 7.851 23.528 -22.183 1.00 2.07 O ATOM 0 H ASP A 131 10.672 24.601 -18.560 1.00 1.18 H new ATOM 0 HA ASP A 131 7.737 24.368 -18.406 1.00 1.19 H new ATOM 0 HB2 ASP A 131 9.270 24.996 -20.407 1.00 1.44 H new ATOM 0 HB3 ASP A 131 9.827 23.335 -20.411 1.00 1.44 H new ATOM 655 N ASP A 132 9.499 21.856 -17.585 1.00 1.00 N ATOM 656 CA ASP A 132 9.409 20.430 -17.156 1.00 1.03 C ATOM 657 C ASP A 132 8.841 20.342 -15.737 1.00 0.88 C ATOM 658 O ASP A 132 8.278 19.339 -15.345 1.00 1.03 O ATOM 659 CB ASP A 132 10.847 19.914 -17.193 1.00 1.13 C ATOM 660 CG ASP A 132 11.009 18.939 -18.361 1.00 1.39 C ATOM 661 OD1 ASP A 132 10.010 18.381 -18.784 1.00 1.99 O ATOM 662 OD2 ASP A 132 12.129 18.767 -18.812 1.00 1.79 O ATOM 0 H ASP A 132 10.358 22.336 -17.318 1.00 1.00 H new ATOM 0 HA ASP A 132 8.751 19.845 -17.798 1.00 1.03 H new ATOM 0 HB2 ASP A 132 11.541 20.747 -17.302 1.00 1.13 H new ATOM 0 HB3 ASP A 132 11.091 19.417 -16.254 1.00 1.13 H new ATOM 667 N ILE A 133 8.984 21.384 -14.964 1.00 0.75 N ATOM 668 CA ILE A 133 8.449 21.357 -13.572 1.00 0.77 C ATOM 669 C ILE A 133 6.961 20.999 -13.588 1.00 0.70 C ATOM 670 O ILE A 133 6.541 20.024 -12.996 1.00 0.82 O ATOM 671 CB ILE A 133 8.656 22.775 -13.040 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.155 23.070 -12.943 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.022 22.900 -11.654 1.00 1.06 C ATOM 674 CD1 ILE A 133 10.789 22.153 -11.894 1.00 1.00 C ATOM 0 H ILE A 133 9.447 22.251 -15.235 1.00 0.75 H new ATOM 0 HA ILE A 133 8.948 20.614 -12.950 1.00 0.77 H new ATOM 0 HB ILE A 133 8.188 23.488 -13.719 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.630 22.915 -13.912 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.314 24.114 -12.673 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.170 23.912 -11.276 1.00 1.06 H new ATOM 0 HG22 ILE A 133 6.954 22.691 -11.722 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.489 22.187 -10.975 1.00 1.06 H new ATOM 0 HD11 ILE A 133 11.856 22.363 -11.825 1.00 1.00 H new ATOM 0 HD12 ILE A 133 10.321 22.330 -10.926 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.642 21.113 -12.184 1.00 1.00 H new ATOM 686 N GLU A 134 6.159 21.776 -14.265 1.00 0.61 N ATOM 687 CA GLU A 134 4.700 21.474 -14.319 1.00 0.64 C ATOM 688 C GLU A 134 4.486 20.003 -14.686 1.00 0.64 C ATOM 689 O GLU A 134 3.459 19.422 -14.397 1.00 0.76 O ATOM 690 CB GLU A 134 4.146 22.386 -15.415 1.00 0.73 C ATOM 691 CG GLU A 134 3.808 23.754 -14.819 1.00 0.89 C ATOM 692 CD GLU A 134 2.512 24.277 -15.443 1.00 1.21 C ATOM 693 OE1 GLU A 134 2.543 24.644 -16.606 1.00 1.86 O ATOM 694 OE2 GLU A 134 1.510 24.302 -14.746 1.00 1.87 O ATOM 0 H GLU A 134 6.451 22.605 -14.782 1.00 0.61 H new ATOM 0 HA GLU A 134 4.205 21.642 -13.363 1.00 0.64 H new ATOM 0 HB2 GLU A 134 4.878 22.497 -16.215 1.00 0.73 H new ATOM 0 HB3 GLU A 134 3.255 21.940 -15.858 1.00 0.73 H new ATOM 0 HG2 GLU A 134 3.697 23.674 -13.738 1.00 0.89 H new ATOM 0 HG3 GLU A 134 4.622 24.455 -15.005 1.00 0.89 H new ATOM 701 N GLU A 135 5.452 19.398 -15.321 1.00 0.59 N ATOM 702 CA GLU A 135 5.313 17.965 -15.710 1.00 0.67 C ATOM 703 C GLU A 135 5.191 17.086 -14.462 1.00 0.74 C ATOM 704 O GLU A 135 4.685 15.983 -14.515 1.00 0.91 O ATOM 705 CB GLU A 135 6.598 17.639 -16.471 1.00 0.72 C ATOM 706 CG GLU A 135 6.365 16.428 -17.376 1.00 1.16 C ATOM 707 CD GLU A 135 6.239 15.167 -16.519 1.00 1.56 C ATOM 708 OE1 GLU A 135 6.777 15.163 -15.423 1.00 2.29 O ATOM 709 OE2 GLU A 135 5.607 14.228 -16.973 1.00 2.03 O ATOM 0 H GLU A 135 6.334 19.835 -15.588 1.00 0.59 H new ATOM 0 HA GLU A 135 4.423 17.784 -16.312 1.00 0.67 H new ATOM 0 HB2 GLU A 135 6.907 18.497 -17.067 1.00 0.72 H new ATOM 0 HB3 GLU A 135 7.406 17.431 -15.769 1.00 0.72 H new ATOM 0 HG2 GLU A 135 5.460 16.571 -17.967 1.00 1.16 H new ATOM 0 HG3 GLU A 135 7.191 16.322 -18.079 1.00 1.16 H new ATOM 716 N LEU A 136 5.654 17.565 -13.340 1.00 0.73 N ATOM 717 CA LEU A 136 5.568 16.756 -12.090 1.00 0.87 C ATOM 718 C LEU A 136 4.290 17.101 -11.321 1.00 0.81 C ATOM 719 O LEU A 136 3.671 16.252 -10.711 1.00 1.00 O ATOM 720 CB LEU A 136 6.801 17.153 -11.278 1.00 0.99 C ATOM 721 CG LEU A 136 8.005 16.333 -11.739 1.00 1.09 C ATOM 722 CD1 LEU A 136 9.171 17.271 -12.058 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.418 15.367 -10.625 1.00 1.75 C ATOM 0 H LEU A 136 6.088 18.482 -13.234 1.00 0.73 H new ATOM 0 HA LEU A 136 5.537 15.686 -12.293 1.00 0.87 H new ATOM 0 HB2 LEU A 136 7.004 18.217 -11.403 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.619 16.985 -10.216 1.00 0.99 H new ATOM 0 HG LEU A 136 7.740 15.768 -12.633 1.00 1.09 H new ATOM 0 HD11 LEU A 136 10.030 16.685 -12.387 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.877 17.960 -12.850 1.00 1.74 H new ATOM 0 HD13 LEU A 136 9.438 17.836 -11.165 1.00 1.74 H new ATOM 0 HD21 LEU A 136 9.277 14.781 -10.952 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.683 15.933 -9.732 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.588 14.698 -10.397 1.00 1.75 H new ATOM 735 N MET A 137 3.895 18.344 -11.342 1.00 0.67 N ATOM 736 CA MET A 137 2.661 18.751 -10.608 1.00 0.71 C ATOM 737 C MET A 137 1.433 18.041 -11.186 1.00 0.68 C ATOM 738 O MET A 137 0.595 17.544 -10.461 1.00 0.70 O ATOM 739 CB MET A 137 2.558 20.261 -10.824 1.00 0.82 C ATOM 740 CG MET A 137 1.377 20.813 -10.023 1.00 0.99 C ATOM 741 SD MET A 137 1.700 20.610 -8.253 1.00 0.94 S ATOM 742 CE MET A 137 0.529 21.857 -7.663 1.00 0.53 C ATOM 0 H MET A 137 4.373 19.097 -11.836 1.00 0.67 H new ATOM 0 HA MET A 137 2.705 18.488 -9.551 1.00 0.71 H new ATOM 0 HB2 MET A 137 3.482 20.747 -10.511 1.00 0.82 H new ATOM 0 HB3 MET A 137 2.426 20.479 -11.884 1.00 0.82 H new ATOM 0 HG2 MET A 137 1.226 21.867 -10.257 1.00 0.99 H new ATOM 0 HG3 MET A 137 0.461 20.290 -10.299 1.00 0.99 H new ATOM 0 HE1 MET A 137 1.039 22.545 -6.988 1.00 0.53 H new ATOM 0 HE2 MET A 137 0.129 22.411 -8.512 1.00 0.53 H new ATOM 0 HE3 MET A 137 -0.288 21.367 -7.133 1.00 0.53 H new ATOM 752 N LYS A 138 1.317 17.993 -12.484 1.00 0.76 N ATOM 753 CA LYS A 138 0.139 17.318 -13.101 1.00 0.82 C ATOM 754 C LYS A 138 -0.141 15.987 -12.399 1.00 0.72 C ATOM 755 O LYS A 138 -1.274 15.571 -12.267 1.00 0.84 O ATOM 756 CB LYS A 138 0.534 17.084 -14.560 1.00 0.99 C ATOM 757 CG LYS A 138 1.884 16.366 -14.618 1.00 1.57 C ATOM 758 CD LYS A 138 1.662 14.883 -14.918 1.00 2.09 C ATOM 759 CE LYS A 138 1.471 14.688 -16.424 1.00 2.74 C ATOM 760 NZ LYS A 138 1.270 13.223 -16.600 1.00 3.43 N ATOM 0 H LYS A 138 1.985 18.391 -13.144 1.00 0.76 H new ATOM 0 HA LYS A 138 -0.768 17.916 -13.016 1.00 0.82 H new ATOM 0 HB2 LYS A 138 -0.228 16.488 -15.062 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.594 18.036 -15.088 1.00 0.99 H new ATOM 0 HG2 LYS A 138 2.513 16.813 -15.388 1.00 1.57 H new ATOM 0 HG3 LYS A 138 2.410 16.481 -13.670 1.00 1.57 H new ATOM 0 HD2 LYS A 138 2.515 14.300 -14.571 1.00 2.09 H new ATOM 0 HD3 LYS A 138 0.787 14.520 -14.380 1.00 2.09 H new ATOM 0 HE2 LYS A 138 0.612 15.251 -16.789 1.00 2.74 H new ATOM 0 HE3 LYS A 138 2.341 15.037 -16.981 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 1.985 12.851 -17.258 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 1.365 12.747 -15.680 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 0.320 13.047 -16.985 1.00 3.43 H new ATOM 774 N ASP A 139 0.882 15.313 -11.948 1.00 0.75 N ATOM 775 CA ASP A 139 0.667 14.007 -11.258 1.00 0.78 C ATOM 776 C ASP A 139 0.377 14.230 -9.771 1.00 0.70 C ATOM 777 O ASP A 139 -0.394 13.512 -9.166 1.00 0.81 O ATOM 778 CB ASP A 139 1.979 13.243 -11.439 1.00 0.97 C ATOM 779 CG ASP A 139 1.771 12.104 -12.438 1.00 1.16 C ATOM 780 OD1 ASP A 139 1.654 12.391 -13.618 1.00 1.66 O ATOM 781 OD2 ASP A 139 1.731 10.964 -12.006 1.00 1.69 O ATOM 0 H ASP A 139 1.855 15.608 -12.027 1.00 0.75 H new ATOM 0 HA ASP A 139 -0.184 13.462 -11.667 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.758 13.916 -11.796 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.316 12.845 -10.482 1.00 0.97 H new ATOM 786 N GLY A 140 0.987 15.218 -9.178 1.00 0.64 N ATOM 787 CA GLY A 140 0.744 15.481 -7.731 1.00 0.62 C ATOM 788 C GLY A 140 -0.624 16.142 -7.553 1.00 0.57 C ATOM 789 O GLY A 140 -1.254 16.016 -6.522 1.00 0.65 O ATOM 0 H GLY A 140 1.643 15.854 -9.631 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.784 14.548 -7.170 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.526 16.127 -7.332 1.00 0.62 H new ATOM 793 N ASP A 141 -1.089 16.846 -8.549 1.00 0.56 N ATOM 794 CA ASP A 141 -2.417 17.515 -8.431 1.00 0.56 C ATOM 795 C ASP A 141 -3.155 17.475 -9.772 1.00 0.58 C ATOM 796 O ASP A 141 -3.283 18.475 -10.450 1.00 0.64 O ATOM 797 CB ASP A 141 -2.100 18.958 -8.039 1.00 0.60 C ATOM 798 CG ASP A 141 -2.226 19.117 -6.523 1.00 0.75 C ATOM 799 OD1 ASP A 141 -2.275 18.105 -5.843 1.00 1.23 O ATOM 800 OD2 ASP A 141 -2.272 20.248 -6.068 1.00 1.14 O ATOM 0 H ASP A 141 -0.608 16.987 -9.438 1.00 0.56 H new ATOM 0 HA ASP A 141 -3.061 17.024 -7.701 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -1.092 19.220 -8.360 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -2.783 19.641 -8.544 1.00 0.60 H new ATOM 805 N LYS A 142 -3.645 16.329 -10.159 1.00 0.62 N ATOM 806 CA LYS A 142 -4.376 16.234 -11.455 1.00 0.70 C ATOM 807 C LYS A 142 -5.589 17.167 -11.440 1.00 0.79 C ATOM 808 O LYS A 142 -6.127 17.520 -12.470 1.00 0.92 O ATOM 809 CB LYS A 142 -4.821 14.774 -11.555 1.00 0.79 C ATOM 810 CG LYS A 142 -3.930 14.036 -12.556 1.00 0.88 C ATOM 811 CD LYS A 142 -4.727 13.728 -13.825 1.00 1.37 C ATOM 812 CE LYS A 142 -4.370 12.326 -14.324 1.00 1.79 C ATOM 813 NZ LYS A 142 -4.390 12.428 -15.810 1.00 2.44 N ATOM 0 H LYS A 142 -3.571 15.457 -9.636 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.757 16.527 -12.303 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.760 14.297 -10.577 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.863 14.721 -11.871 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -3.059 14.645 -12.800 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -3.559 13.111 -12.114 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -5.796 13.792 -13.620 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -4.505 14.467 -14.595 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -3.389 12.017 -13.963 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -5.088 11.586 -13.970 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -4.154 11.504 -16.225 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -5.338 12.717 -16.125 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -3.692 13.134 -16.119 1.00 2.44 H new ATOM 827 N ASN A 143 -6.022 17.569 -10.276 1.00 0.80 N ATOM 828 CA ASN A 143 -7.200 18.481 -10.190 1.00 0.95 C ATOM 829 C ASN A 143 -6.750 19.928 -10.403 1.00 0.92 C ATOM 830 O ASN A 143 -7.550 20.810 -10.645 1.00 1.08 O ATOM 831 CB ASN A 143 -7.762 18.306 -8.773 1.00 1.07 C ATOM 832 CG ASN A 143 -7.595 16.855 -8.310 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.092 15.942 -8.938 1.00 1.95 O ATOM 834 ND2 ASN A 143 -6.907 16.606 -7.229 1.00 1.70 N ATOM 0 H ASN A 143 -5.611 17.306 -9.380 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.948 18.251 -10.948 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -7.247 18.976 -8.085 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -8.817 18.581 -8.756 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -6.787 15.644 -6.911 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -6.490 17.373 -6.702 1.00 1.70 H new ATOM 841 N ASN A 144 -5.472 20.178 -10.310 1.00 0.86 N ATOM 842 CA ASN A 144 -4.968 21.567 -10.502 1.00 0.93 C ATOM 843 C ASN A 144 -5.790 22.541 -9.655 1.00 1.03 C ATOM 844 O ASN A 144 -6.368 23.484 -10.157 1.00 1.71 O ATOM 845 CB ASN A 144 -5.152 21.853 -11.992 1.00 1.08 C ATOM 846 CG ASN A 144 -4.223 20.944 -12.801 1.00 1.49 C ATOM 847 OD1 ASN A 144 -3.260 20.420 -12.276 1.00 2.18 O ATOM 848 ND2 ASN A 144 -4.471 20.734 -14.065 1.00 1.97 N ATOM 0 H ASN A 144 -4.756 19.480 -10.109 1.00 0.86 H new ATOM 0 HA ASN A 144 -3.928 21.680 -10.196 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -6.189 21.682 -12.281 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -4.930 22.899 -12.203 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -3.857 20.130 -14.612 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -5.279 21.173 -14.506 1.00 1.97 H new ATOM 855 N ASP A 145 -5.844 22.316 -8.370 1.00 0.88 N ATOM 856 CA ASP A 145 -6.628 23.223 -7.483 1.00 0.92 C ATOM 857 C ASP A 145 -5.746 24.374 -6.993 1.00 0.91 C ATOM 858 O ASP A 145 -6.229 25.354 -6.461 1.00 1.07 O ATOM 859 CB ASP A 145 -7.066 22.345 -6.310 1.00 0.93 C ATOM 860 CG ASP A 145 -7.594 21.010 -6.838 1.00 1.40 C ATOM 861 OD1 ASP A 145 -8.033 20.977 -7.976 1.00 1.89 O ATOM 862 OD2 ASP A 145 -7.549 20.042 -6.096 1.00 2.06 O ATOM 0 H ASP A 145 -5.378 21.542 -7.896 1.00 0.88 H new ATOM 0 HA ASP A 145 -7.478 23.672 -7.996 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -6.226 22.175 -5.637 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.840 22.851 -5.733 1.00 0.93 H new ATOM 867 N GLY A 146 -4.457 24.265 -7.169 1.00 0.84 N ATOM 868 CA GLY A 146 -3.549 25.354 -6.713 1.00 0.92 C ATOM 869 C GLY A 146 -2.801 24.909 -5.455 1.00 0.66 C ATOM 870 O GLY A 146 -1.949 25.612 -4.949 1.00 0.74 O ATOM 0 H GLY A 146 -3.994 23.469 -7.609 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -2.839 25.602 -7.501 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -4.124 26.257 -6.506 1.00 0.92 H new ATOM 874 N ARG A 147 -3.109 23.749 -4.945 1.00 0.56 N ATOM 875 CA ARG A 147 -2.408 23.271 -3.719 1.00 0.54 C ATOM 876 C ARG A 147 -2.353 21.741 -3.692 1.00 0.46 C ATOM 877 O ARG A 147 -3.268 21.066 -4.122 1.00 0.45 O ATOM 878 CB ARG A 147 -3.242 23.800 -2.553 1.00 0.77 C ATOM 879 CG ARG A 147 -2.400 24.775 -1.729 1.00 1.39 C ATOM 880 CD ARG A 147 -3.321 25.694 -0.923 1.00 1.79 C ATOM 881 NE ARG A 147 -2.408 26.665 -0.258 1.00 2.55 N ATOM 882 CZ ARG A 147 -2.895 27.600 0.514 1.00 2.87 C ATOM 883 NH1 ARG A 147 -4.184 27.688 0.706 1.00 3.10 N ATOM 884 NH2 ARG A 147 -2.091 28.448 1.095 1.00 3.37 N ATOM 0 H ARG A 147 -3.812 23.113 -5.321 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.377 23.621 -3.675 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -4.135 24.300 -2.927 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -3.578 22.973 -1.927 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -1.741 24.225 -1.058 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -1.763 25.367 -2.386 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -4.036 26.203 -1.570 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -3.899 25.130 -0.191 1.00 1.79 H new ATOM 0 HE ARG A 147 -1.401 26.600 -0.406 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -4.814 27.026 0.253 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -4.561 28.419 1.309 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -1.084 28.380 0.946 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -2.469 29.179 1.698 1.00 3.37 H new ATOM 898 N ILE A 148 -1.281 21.191 -3.188 1.00 0.49 N ATOM 899 CA ILE A 148 -1.156 19.707 -3.127 1.00 0.44 C ATOM 900 C ILE A 148 -1.385 19.220 -1.693 1.00 0.46 C ATOM 901 O ILE A 148 -0.677 19.596 -0.780 1.00 0.63 O ATOM 902 CB ILE A 148 0.279 19.417 -3.571 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.602 20.238 -4.823 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.428 17.929 -3.887 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.956 19.801 -5.385 1.00 0.63 C ATOM 0 H ILE A 148 -0.485 21.708 -2.815 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.888 19.200 -3.756 1.00 0.44 H new ATOM 0 HB ILE A 148 0.966 19.688 -2.770 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.177 20.099 -5.573 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.623 21.300 -4.579 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.451 17.725 -4.203 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.200 17.343 -2.997 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.260 17.656 -4.687 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.186 20.385 -6.276 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.730 19.963 -4.635 1.00 0.63 H new ATOM 0 HD13 ILE A 148 1.918 18.743 -5.645 1.00 0.63 H new ATOM 917 N ASP A 149 -2.371 18.390 -1.485 1.00 0.48 N ATOM 918 CA ASP A 149 -2.643 17.887 -0.107 1.00 0.53 C ATOM 919 C ASP A 149 -2.192 16.429 0.029 1.00 0.53 C ATOM 920 O ASP A 149 -2.082 15.709 -0.943 1.00 0.63 O ATOM 921 CB ASP A 149 -4.158 17.997 0.065 1.00 0.58 C ATOM 922 CG ASP A 149 -4.579 17.286 1.352 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.564 17.926 2.391 1.00 1.84 O ATOM 924 OD2 ASP A 149 -4.908 16.114 1.278 1.00 1.65 O ATOM 0 H ASP A 149 -2.999 18.039 -2.208 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.104 18.456 0.650 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.455 19.045 0.102 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.665 17.552 -0.791 1.00 0.58 H new ATOM 929 N TYR A 150 -1.932 15.991 1.230 1.00 0.58 N ATOM 930 CA TYR A 150 -1.489 14.581 1.433 1.00 0.60 C ATOM 931 C TYR A 150 -2.349 13.629 0.598 1.00 0.59 C ATOM 932 O TYR A 150 -1.847 12.744 -0.066 1.00 0.63 O ATOM 933 CB TYR A 150 -1.689 14.316 2.925 1.00 0.73 C ATOM 934 CG TYR A 150 -1.386 12.868 3.229 1.00 0.72 C ATOM 935 CD1 TYR A 150 -0.473 12.162 2.435 1.00 1.15 C ATOM 936 CD2 TYR A 150 -2.016 12.232 4.305 1.00 1.22 C ATOM 937 CE1 TYR A 150 -0.192 10.820 2.718 1.00 1.43 C ATOM 938 CE2 TYR A 150 -1.734 10.891 4.588 1.00 1.56 C ATOM 939 CZ TYR A 150 -0.822 10.185 3.794 1.00 1.48 C ATOM 940 OH TYR A 150 -0.545 8.862 4.073 1.00 1.96 O ATOM 0 H TYR A 150 -2.007 16.548 2.081 1.00 0.58 H new ATOM 0 HA TYR A 150 -0.455 14.424 1.125 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -1.037 14.965 3.510 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -2.714 14.551 3.212 1.00 0.73 H new ATOM 0 HD1 TYR A 150 0.014 12.653 1.605 1.00 1.15 H new ATOM 0 HD2 TYR A 150 -2.720 12.776 4.917 1.00 1.22 H new ATOM 0 HE1 TYR A 150 0.511 10.275 2.106 1.00 1.43 H new ATOM 0 HE2 TYR A 150 -2.220 10.401 5.419 1.00 1.56 H new ATOM 0 HH TYR A 150 0.186 8.811 4.724 1.00 1.96 H new ATOM 950 N ASP A 151 -3.642 13.803 0.626 1.00 0.64 N ATOM 951 CA ASP A 151 -4.531 12.906 -0.167 1.00 0.70 C ATOM 952 C ASP A 151 -4.037 12.815 -1.612 1.00 0.63 C ATOM 953 O ASP A 151 -4.059 11.764 -2.221 1.00 0.77 O ATOM 954 CB ASP A 151 -5.910 13.565 -0.113 1.00 0.79 C ATOM 955 CG ASP A 151 -6.954 12.532 0.312 1.00 1.24 C ATOM 956 OD1 ASP A 151 -6.854 11.401 -0.133 1.00 1.90 O ATOM 957 OD2 ASP A 151 -7.836 12.889 1.076 1.00 1.83 O ATOM 0 H ASP A 151 -4.121 14.526 1.163 1.00 0.64 H new ATOM 0 HA ASP A 151 -4.549 11.890 0.227 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -5.899 14.397 0.591 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.167 13.976 -1.089 1.00 0.79 H new ATOM 962 N GLU A 152 -3.591 13.909 -2.165 1.00 0.54 N ATOM 963 CA GLU A 152 -3.096 13.885 -3.571 1.00 0.56 C ATOM 964 C GLU A 152 -1.625 13.466 -3.610 1.00 0.52 C ATOM 965 O GLU A 152 -1.148 12.933 -4.592 1.00 0.65 O ATOM 966 CB GLU A 152 -3.259 15.321 -4.071 1.00 0.60 C ATOM 967 CG GLU A 152 -4.747 15.649 -4.204 1.00 0.77 C ATOM 968 CD GLU A 152 -4.935 17.167 -4.216 1.00 0.72 C ATOM 969 OE1 GLU A 152 -3.946 17.868 -4.076 1.00 1.17 O ATOM 970 OE2 GLU A 152 -6.065 17.604 -4.365 1.00 1.40 O ATOM 0 H GLU A 152 -3.548 14.818 -1.705 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.643 13.173 -4.189 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -2.783 16.015 -3.378 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.762 15.441 -5.034 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -5.145 15.215 -5.121 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.303 15.209 -3.376 1.00 0.77 H new ATOM 977 N PHE A 153 -0.901 13.700 -2.549 1.00 0.46 N ATOM 978 CA PHE A 153 0.538 13.311 -2.532 1.00 0.46 C ATOM 979 C PHE A 153 0.693 11.849 -2.961 1.00 0.50 C ATOM 980 O PHE A 153 1.699 11.459 -3.520 1.00 0.64 O ATOM 981 CB PHE A 153 0.984 13.494 -1.081 1.00 0.49 C ATOM 982 CG PHE A 153 2.492 13.515 -1.020 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.215 14.358 -1.872 1.00 0.62 C ATOM 984 CD2 PHE A 153 3.168 12.690 -0.112 1.00 0.52 C ATOM 985 CE1 PHE A 153 4.614 14.378 -1.816 1.00 0.73 C ATOM 986 CE2 PHE A 153 4.567 12.710 -0.056 1.00 0.61 C ATOM 987 CZ PHE A 153 5.290 13.554 -0.908 1.00 0.68 C ATOM 0 H PHE A 153 -1.243 14.142 -1.696 1.00 0.46 H new ATOM 0 HA PHE A 153 1.136 13.910 -3.219 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.580 14.423 -0.679 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.595 12.684 -0.464 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.694 14.993 -2.573 1.00 0.62 H new ATOM 0 HD2 PHE A 153 2.610 12.039 0.545 1.00 0.52 H new ATOM 0 HE1 PHE A 153 5.172 15.029 -2.473 1.00 0.73 H new ATOM 0 HE2 PHE A 153 5.088 12.074 0.644 1.00 0.61 H new ATOM 0 HZ PHE A 153 6.369 13.569 -0.865 1.00 0.68 H new ATOM 997 N LEU A 154 -0.298 11.039 -2.706 1.00 0.53 N ATOM 998 CA LEU A 154 -0.210 9.604 -3.102 1.00 0.62 C ATOM 999 C LEU A 154 -0.170 9.479 -4.627 1.00 0.65 C ATOM 1000 O LEU A 154 0.691 8.827 -5.184 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.480 8.961 -2.543 1.00 0.75 C ATOM 1002 CG LEU A 154 -1.109 7.995 -1.417 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -0.243 8.719 -0.386 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -2.385 7.486 -0.742 1.00 1.20 C ATOM 0 H LEU A 154 -1.165 11.308 -2.241 1.00 0.53 H new ATOM 0 HA LEU A 154 0.691 9.124 -2.721 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.156 9.730 -2.169 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -2.009 8.429 -3.333 1.00 0.75 H new ATOM 0 HG LEU A 154 -0.554 7.153 -1.830 1.00 0.91 H new ATOM 0 HD11 LEU A 154 0.021 8.030 0.416 1.00 1.65 H new ATOM 0 HD12 LEU A 154 0.666 9.083 -0.865 1.00 1.65 H new ATOM 0 HD13 LEU A 154 -0.797 9.562 0.027 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -2.122 6.797 0.061 1.00 1.20 H new ATOM 0 HD22 LEU A 154 -2.940 8.329 -0.330 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -3.003 6.969 -1.476 1.00 1.20 H new ATOM 1016 N GLU A 155 -1.095 10.100 -5.307 1.00 0.69 N ATOM 1017 CA GLU A 155 -1.107 10.018 -6.796 1.00 0.81 C ATOM 1018 C GLU A 155 0.294 10.293 -7.351 1.00 0.76 C ATOM 1019 O GLU A 155 0.630 9.886 -8.445 1.00 0.90 O ATOM 1020 CB GLU A 155 -2.086 11.104 -7.243 1.00 0.97 C ATOM 1021 CG GLU A 155 -2.665 10.740 -8.612 1.00 1.41 C ATOM 1022 CD GLU A 155 -4.016 10.047 -8.427 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -4.784 10.501 -7.595 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -4.260 9.074 -9.121 1.00 2.77 O ATOM 0 H GLU A 155 -1.842 10.660 -4.897 1.00 0.69 H new ATOM 0 HA GLU A 155 -1.402 9.032 -7.155 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -2.889 11.207 -6.513 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -1.578 12.067 -7.296 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -2.785 11.638 -9.218 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -1.978 10.084 -9.146 1.00 1.41 H new ATOM 1031 N PHE A 156 1.113 10.980 -6.603 1.00 0.66 N ATOM 1032 CA PHE A 156 2.492 11.280 -7.086 1.00 0.77 C ATOM 1033 C PHE A 156 3.435 10.125 -6.736 1.00 0.71 C ATOM 1034 O PHE A 156 4.225 9.688 -7.548 1.00 0.88 O ATOM 1035 CB PHE A 156 2.901 12.553 -6.345 1.00 0.84 C ATOM 1036 CG PHE A 156 4.236 13.034 -6.863 1.00 1.01 C ATOM 1037 CD1 PHE A 156 4.377 13.389 -8.210 1.00 1.49 C ATOM 1038 CD2 PHE A 156 5.332 13.124 -5.997 1.00 1.09 C ATOM 1039 CE1 PHE A 156 5.614 13.835 -8.691 1.00 1.72 C ATOM 1040 CE2 PHE A 156 6.569 13.570 -6.478 1.00 1.31 C ATOM 1041 CZ PHE A 156 6.710 13.925 -7.825 1.00 1.53 C ATOM 0 H PHE A 156 0.888 11.347 -5.678 1.00 0.66 H new ATOM 0 HA PHE A 156 2.535 11.408 -8.168 1.00 0.77 H new ATOM 0 HB2 PHE A 156 2.145 13.326 -6.485 1.00 0.84 H new ATOM 0 HB3 PHE A 156 2.964 12.358 -5.274 1.00 0.84 H new ATOM 0 HD1 PHE A 156 3.531 13.319 -8.878 1.00 1.49 H new ATOM 0 HD2 PHE A 156 5.224 12.850 -4.958 1.00 1.09 H new ATOM 0 HE1 PHE A 156 5.722 14.109 -9.730 1.00 1.72 H new ATOM 0 HE2 PHE A 156 7.415 13.640 -5.810 1.00 1.31 H new ATOM 0 HZ PHE A 156 7.664 14.268 -8.196 1.00 1.53 H new ATOM 1051 N MET A 157 3.356 9.628 -5.532 1.00 0.61 N ATOM 1052 CA MET A 157 4.246 8.501 -5.130 1.00 0.69 C ATOM 1053 C MET A 157 3.619 7.164 -5.535 1.00 0.83 C ATOM 1054 O MET A 157 4.225 6.366 -6.221 1.00 1.17 O ATOM 1055 CB MET A 157 4.352 8.605 -3.608 1.00 0.84 C ATOM 1056 CG MET A 157 4.639 10.056 -3.214 1.00 0.92 C ATOM 1057 SD MET A 157 6.148 10.617 -4.040 1.00 1.56 S ATOM 1058 CE MET A 157 7.244 10.512 -2.604 1.00 0.90 C ATOM 0 H MET A 157 2.714 9.953 -4.809 1.00 0.61 H new ATOM 0 HA MET A 157 5.223 8.552 -5.611 1.00 0.69 H new ATOM 0 HB2 MET A 157 3.425 8.268 -3.144 1.00 0.84 H new ATOM 0 HB3 MET A 157 5.146 7.954 -3.243 1.00 0.84 H new ATOM 0 HG2 MET A 157 3.800 10.693 -3.494 1.00 0.92 H new ATOM 0 HG3 MET A 157 4.752 10.135 -2.133 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.871 11.402 -2.559 1.00 0.90 H new ATOM 0 HE2 MET A 157 6.647 10.443 -1.695 1.00 0.90 H new ATOM 0 HE3 MET A 157 7.875 9.628 -2.692 1.00 0.90 H new ATOM 1068 N LYS A 158 2.408 6.915 -5.116 1.00 0.86 N ATOM 1069 CA LYS A 158 1.743 5.631 -5.478 1.00 1.07 C ATOM 1070 C LYS A 158 2.723 4.465 -5.324 1.00 1.36 C ATOM 1071 O LYS A 158 2.631 3.469 -6.014 1.00 1.73 O ATOM 1072 CB LYS A 158 1.330 5.797 -6.941 1.00 1.28 C ATOM 1073 CG LYS A 158 -0.022 5.118 -7.173 1.00 1.66 C ATOM 1074 CD LYS A 158 0.053 4.248 -8.428 1.00 2.24 C ATOM 1075 CE LYS A 158 -0.909 4.793 -9.486 1.00 2.85 C ATOM 1076 NZ LYS A 158 -0.045 5.532 -10.448 1.00 3.52 N ATOM 0 H LYS A 158 1.851 7.545 -4.539 1.00 0.86 H new ATOM 0 HA LYS A 158 0.889 5.413 -4.836 1.00 1.07 H new ATOM 0 HB2 LYS A 158 1.265 6.855 -7.193 1.00 1.28 H new ATOM 0 HB3 LYS A 158 2.085 5.360 -7.594 1.00 1.28 H new ATOM 0 HG2 LYS A 158 -0.287 4.508 -6.310 1.00 1.66 H new ATOM 0 HG3 LYS A 158 -0.804 5.869 -7.285 1.00 1.66 H new ATOM 0 HD2 LYS A 158 1.071 4.240 -8.817 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -0.204 3.217 -8.184 1.00 2.24 H new ATOM 0 HE2 LYS A 158 -1.450 3.986 -9.981 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -1.655 5.451 -9.040 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -0.634 5.935 -11.204 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 0.452 6.298 -9.950 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 0.651 4.879 -10.862 1.00 3.52 H new ATOM 1090 N GLY A 159 3.661 4.581 -4.424 1.00 1.73 N ATOM 1091 CA GLY A 159 4.645 3.479 -4.226 1.00 2.35 C ATOM 1092 C GLY A 159 5.675 3.500 -5.357 1.00 2.13 C ATOM 1093 O GLY A 159 5.715 2.616 -6.189 1.00 2.59 O ATOM 0 H GLY A 159 3.789 5.391 -3.817 1.00 1.73 H new ATOM 0 HA2 GLY A 159 5.144 3.593 -3.264 1.00 2.35 H new ATOM 0 HA3 GLY A 159 4.131 2.518 -4.207 1.00 2.35 H new ATOM 1097 N VAL A 160 6.509 4.503 -5.393 1.00 1.87 N ATOM 1098 CA VAL A 160 7.537 4.579 -6.471 1.00 1.87 C ATOM 1099 C VAL A 160 8.943 4.531 -5.866 1.00 2.39 C ATOM 1100 O VAL A 160 9.112 4.548 -4.663 1.00 3.11 O ATOM 1101 CB VAL A 160 7.293 5.924 -7.156 1.00 1.68 C ATOM 1102 CG1 VAL A 160 7.606 7.059 -6.180 1.00 1.89 C ATOM 1103 CG2 VAL A 160 8.200 6.042 -8.382 1.00 1.76 C ATOM 0 H VAL A 160 6.524 5.273 -4.724 1.00 1.87 H new ATOM 0 HA VAL A 160 7.465 3.746 -7.171 1.00 1.87 H new ATOM 0 HB VAL A 160 6.250 5.990 -7.466 1.00 1.68 H new ATOM 0 HG11 VAL A 160 7.432 8.018 -6.669 1.00 1.89 H new ATOM 0 HG12 VAL A 160 6.961 6.975 -5.305 1.00 1.89 H new ATOM 0 HG13 VAL A 160 8.649 6.994 -5.869 1.00 1.89 H new ATOM 0 HG21 VAL A 160 8.027 7.000 -8.872 1.00 1.76 H new ATOM 0 HG22 VAL A 160 9.243 5.976 -8.071 1.00 1.76 H new ATOM 0 HG23 VAL A 160 7.977 5.234 -9.078 1.00 1.76 H new ATOM 1113 N GLU A 161 9.952 4.470 -6.692 1.00 2.52 N ATOM 1114 CA GLU A 161 11.345 4.422 -6.164 1.00 3.28 C ATOM 1115 C GLU A 161 12.351 4.494 -7.316 1.00 3.90 C ATOM 1116 O GLU A 161 12.036 3.994 -8.383 1.00 4.34 O ATOM 1117 CB GLU A 161 11.450 3.077 -5.444 1.00 3.49 C ATOM 1118 CG GLU A 161 12.152 3.271 -4.099 1.00 4.11 C ATOM 1119 CD GLU A 161 12.442 1.907 -3.471 1.00 4.29 C ATOM 1120 OE1 GLU A 161 12.238 0.911 -4.145 1.00 4.56 O ATOM 1121 OE2 GLU A 161 12.862 1.882 -2.325 1.00 4.60 O ATOM 1122 OXT GLU A 161 13.418 5.047 -7.110 1.00 4.37 O ATOM 0 H GLU A 161 9.872 4.451 -7.709 1.00 2.52 H new ATOM 0 HA GLU A 161 11.563 5.258 -5.500 1.00 3.28 H new ATOM 0 HB2 GLU A 161 10.456 2.656 -5.290 1.00 3.49 H new ATOM 0 HB3 GLU A 161 12.005 2.367 -6.057 1.00 3.49 H new ATOM 0 HG2 GLU A 161 13.081 3.823 -4.239 1.00 4.11 H new ATOM 0 HG3 GLU A 161 11.526 3.864 -3.432 1.00 4.11 H new TER 1129 GLU A 161 HETATM 1130 CA CA A 162 3.584 25.020 0.699 1.00 0.75 CA HETATM 1131 CA CA A 2 -4.915 19.439 -5.725 1.00 0.75 CA HETATM 1132 O1 KDH A 1 9.729 8.020 -10.452 1.00 2.83 O HETATM 1133 C3 KDH A 1 8.999 8.949 -9.774 1.00 2.40 C HETATM 1134 C6 KDH A 1 7.912 9.610 -10.446 1.00 3.09 C HETATM 1135 O7 KDH A 1 7.629 9.295 -11.747 1.00 4.04 O HETATM 1136 C9 KDH A 1 7.112 10.605 -9.764 1.00 2.99 C HETATM 1137 O10 KDH A 1 6.091 11.210 -10.436 1.00 3.91 O HETATM 1138 C12 KDH A 1 7.407 10.940 -8.390 1.00 2.07 C HETATM 1139 C14 KDH A 1 8.491 10.269 -7.706 1.00 1.26 C HETATM 1140 C15 KDH A 1 8.719 10.612 -6.366 1.00 0.94 C HETATM 1141 C20 KDH A 1 9.945 9.810 -4.326 1.00 2.17 C HETATM 1142 C21 KDH A 1 10.313 8.717 -3.459 1.00 3.11 C HETATM 1143 C24 KDH A 1 11.025 8.988 -2.241 1.00 3.89 C HETATM 1144 C26 KDH A 1 11.317 10.337 -1.839 1.00 3.84 C HETATM 1145 C29 KDH A 1 10.914 11.440 -2.687 1.00 3.01 C HETATM 1146 C31 KDH A 1 10.167 11.192 -3.898 1.00 2.10 C HETATM 1147 C33 KDH A 1 9.439 11.981 -6.199 1.00 0.94 C HETATM 1148 C36 KDH A 1 10.685 12.527 -8.165 1.00 1.65 C HETATM 1149 C38 KDH A 1 11.728 12.110 -8.989 1.00 1.49 C HETATM 1150 C39 KDH A 1 12.201 12.995 -10.038 1.00 1.87 C HETATM 1151 C41 KDH A 1 12.327 10.812 -8.797 1.00 2.05 C HETATM 1152 C01 KDH A 1 9.629 12.273 -4.676 1.00 1.46 C HETATM 1153 O01 KDH A 1 9.389 9.543 -5.573 1.00 1.58 O HETATM 1154 O02 KDH A 1 11.431 7.951 -1.450 1.00 4.80 O HETATM 1155 O03 KDH A 1 11.242 12.715 -2.336 1.00 3.24 O HETATM 1156 C4 KDH A 1 9.299 9.278 -8.401 1.00 1.50 C HETATM 1157 O35 KDH A 1 10.710 12.011 -6.896 1.00 1.29 O HETATM 1158 O37 KDH A 1 9.822 13.307 -8.588 1.00 2.52 O HETATM 1159 C43 KDH A 1 13.389 10.379 -9.669 1.00 2.26 C HETATM 1160 O44 KDH A 1 13.974 9.149 -9.527 1.00 3.22 O HETATM 1161 C46 KDH A 1 13.856 11.252 -10.719 1.00 2.00 C HETATM 1162 O47 KDH A 1 14.857 10.843 -11.549 1.00 2.49 O HETATM 1163 C49 KDH A 1 13.270 12.566 -10.903 1.00 2.11 C HETATM 1164 O50 KDH A 1 13.752 13.369 -11.898 1.00 3.03 O HETATM 0 HO50 KDH A 1 14.647 13.067 -12.157 1.00 3.03 H new HETATM 0 HO47 KDH A 1 15.615 11.459 -11.475 1.00 2.49 H new HETATM 0 HO44 KDH A 1 14.679 9.042 -10.199 1.00 3.22 H new HETATM 0 HO10 KDH A 1 5.851 12.045 -9.983 1.00 3.91 H new HETATM 0 HO03 KDH A 1 10.701 12.992 -1.567 1.00 3.24 H new HETATM 0 HO02 KDH A 1 11.900 8.303 -0.665 1.00 4.80 H new HETATM 0 H01A KDH A 1 8.664 12.554 -4.255 1.00 1.46 H new HETATM 0 HO7 KDH A 1 6.711 9.565 -11.957 1.00 4.04 H new HETATM 0 HO1 KDH A 1 9.369 7.919 -11.358 1.00 2.83 H new HETATM 0 H41 KDH A 1 11.978 10.161 -7.995 1.00 2.05 H new HETATM 0 H4 KDH A 1 10.126 8.787 -7.888 1.00 1.50 H new HETATM 0 H39 KDH A 1 11.750 13.978 -10.170 1.00 1.87 H new HETATM 0 H33 KDH A 1 8.820 12.759 -6.646 1.00 0.94 H new HETATM 0 H26 KDH A 1 11.839 10.529 -0.901 1.00 3.84 H new HETATM 0 H21 KDH A 1 10.053 7.693 -3.726 1.00 3.11 H new HETATM 0 H15 KDH A 1 7.720 10.721 -5.944 1.00 0.94 H new HETATM 0 H12 KDH A 1 6.816 11.695 -7.871 1.00 2.07 H new HETATM 0 H01 KDH A 1 10.286 13.136 -4.569 1.00 1.46 H new