USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 559 hydrogens (23 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 92 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0606) USER MOD Single : A 93 SER OG : rot -67:sc= 2.07 USER MOD Single : A 98 SER OG : rot 79:sc= 0.107 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 :FLIP amide:sc= -2.21 F(o=-2.9!,f=-2.2) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -160:sc= 0.114 (180deg=0.0362) USER MOD Single : A 120 MET CE :methyl -149:sc= 0 (180deg=-0.838) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 124 THR OG1 : rot 24:sc= -0.0904 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 132:sc= 1.36 USER MOD Single : A 137 MET CE :methyl 174:sc= -3.73 (180deg=-3.79) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -148:sc= -0.0354 (180deg=-0.51) USER MOD Single : A 143 ASN : amide:sc= -7.87! C(o=-7.9!,f=-22!) USER MOD Single : A 144 ASN : amide:sc= -0.749 K(o=-0.75,f=-2.1) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl -153:sc= -5.02! (180deg=-6.63!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 91 51.833 9.548 20.286 1.00 0.00 N ATOM 2 CA GLY A 91 52.771 9.638 19.170 1.00 0.00 C ATOM 3 C GLY A 91 52.640 8.425 18.255 1.00 0.00 C ATOM 4 O GLY A 91 51.535 8.004 17.912 1.00 0.00 O ATOM 0 HA2 GLY A 91 52.582 10.549 18.603 1.00 0.00 H new ATOM 0 HA3 GLY A 91 53.790 9.704 19.550 1.00 0.00 H new ATOM 8 N LYS A 92 53.782 7.869 17.863 1.00 0.00 N ATOM 9 CA LYS A 92 53.790 6.703 16.986 1.00 0.00 C ATOM 10 C LYS A 92 54.107 5.440 17.781 1.00 0.00 C ATOM 11 O LYS A 92 53.212 4.678 18.146 1.00 0.00 O ATOM 12 CB LYS A 92 54.835 6.872 15.881 1.00 0.00 C ATOM 13 CG LYS A 92 54.415 8.015 14.955 1.00 0.00 C ATOM 14 CD LYS A 92 53.361 7.511 13.968 1.00 0.00 C ATOM 15 CE LYS A 92 53.192 8.527 12.837 1.00 0.00 C ATOM 16 NZ LYS A 92 52.581 9.774 13.377 1.00 0.00 N ATOM 0 H LYS A 92 54.706 8.203 18.136 1.00 0.00 H new ATOM 0 HA LYS A 92 52.800 6.612 16.539 1.00 0.00 H new ATOM 0 HB2 LYS A 92 55.811 7.083 16.318 1.00 0.00 H new ATOM 0 HB3 LYS A 92 54.933 5.947 15.313 1.00 0.00 H new ATOM 0 HG2 LYS A 92 54.014 8.843 15.540 1.00 0.00 H new ATOM 0 HG3 LYS A 92 55.281 8.397 14.415 1.00 0.00 H new ATOM 0 HD2 LYS A 92 53.661 6.545 13.561 1.00 0.00 H new ATOM 0 HD3 LYS A 92 52.411 7.360 14.480 1.00 0.00 H new ATOM 0 HE2 LYS A 92 54.159 8.749 12.386 1.00 0.00 H new ATOM 0 HE3 LYS A 92 52.561 8.111 12.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 52.372 10.426 12.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 51.700 9.540 13.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 53.244 10.228 14.037 1.00 0.00 H new ATOM 30 N SER A 93 55.393 5.230 18.045 1.00 0.00 N ATOM 31 CA SER A 93 55.823 4.056 18.800 1.00 0.00 C ATOM 32 C SER A 93 55.904 2.838 17.887 1.00 0.00 C ATOM 33 O SER A 93 55.583 2.909 16.701 1.00 0.00 O ATOM 34 CB SER A 93 54.845 3.762 19.937 1.00 0.00 C ATOM 35 OG SER A 93 53.906 2.785 19.508 1.00 0.00 O ATOM 0 H SER A 93 56.149 5.849 17.752 1.00 0.00 H new ATOM 0 HA SER A 93 56.808 4.266 19.216 1.00 0.00 H new ATOM 0 HB2 SER A 93 55.385 3.404 20.813 1.00 0.00 H new ATOM 0 HB3 SER A 93 54.328 4.675 20.233 1.00 0.00 H new ATOM 0 HG SER A 93 53.343 3.161 18.800 1.00 0.00 H new ATOM 41 N GLU A 94 56.337 1.717 18.456 1.00 0.00 N ATOM 42 CA GLU A 94 56.459 0.482 17.688 1.00 0.00 C ATOM 43 C GLU A 94 55.080 -0.040 17.298 1.00 0.00 C ATOM 44 O GLU A 94 54.950 -0.898 16.424 1.00 0.00 O ATOM 45 CB GLU A 94 57.185 -0.587 18.507 1.00 0.00 C ATOM 46 CG GLU A 94 58.109 -1.392 17.592 1.00 0.00 C ATOM 47 CD GLU A 94 59.561 -1.057 17.914 1.00 0.00 C ATOM 48 OE1 GLU A 94 59.888 -0.996 19.087 1.00 0.00 O ATOM 49 OE2 GLU A 94 60.325 -0.868 16.981 1.00 0.00 O ATOM 0 H GLU A 94 56.607 1.638 19.436 1.00 0.00 H new ATOM 0 HA GLU A 94 57.033 0.700 16.787 1.00 0.00 H new ATOM 0 HB2 GLU A 94 57.763 -0.119 19.304 1.00 0.00 H new ATOM 0 HB3 GLU A 94 56.462 -1.248 18.984 1.00 0.00 H new ATOM 0 HG2 GLU A 94 57.932 -2.459 17.727 1.00 0.00 H new ATOM 0 HG3 GLU A 94 57.895 -1.163 16.548 1.00 0.00 H new ATOM 56 N GLU A 95 54.052 0.488 17.956 1.00 0.00 N ATOM 57 CA GLU A 95 52.683 0.069 17.670 1.00 0.00 C ATOM 58 C GLU A 95 52.190 0.709 16.376 1.00 0.00 C ATOM 59 O GLU A 95 51.358 0.146 15.665 1.00 0.00 O ATOM 60 CB GLU A 95 51.750 0.471 18.812 1.00 0.00 C ATOM 61 CG GLU A 95 52.133 -0.297 20.078 1.00 0.00 C ATOM 62 CD GLU A 95 51.882 -1.786 19.866 1.00 0.00 C ATOM 63 OE1 GLU A 95 51.073 -2.115 19.014 1.00 0.00 O ATOM 64 OE2 GLU A 95 52.502 -2.576 20.559 1.00 0.00 O ATOM 0 H GLU A 95 54.138 1.199 18.683 1.00 0.00 H new ATOM 0 HA GLU A 95 52.678 -1.016 17.564 1.00 0.00 H new ATOM 0 HB2 GLU A 95 51.818 1.544 18.990 1.00 0.00 H new ATOM 0 HB3 GLU A 95 50.716 0.257 18.543 1.00 0.00 H new ATOM 0 HG2 GLU A 95 53.182 -0.125 20.317 1.00 0.00 H new ATOM 0 HG3 GLU A 95 51.550 0.064 20.925 1.00 0.00 H new ATOM 71 N GLU A 96 52.716 1.893 16.080 1.00 0.00 N ATOM 72 CA GLU A 96 52.327 2.607 14.867 1.00 0.00 C ATOM 73 C GLU A 96 53.097 2.073 13.664 1.00 0.00 C ATOM 74 O GLU A 96 52.607 2.093 12.535 1.00 0.00 O ATOM 75 CB GLU A 96 52.606 4.104 15.013 1.00 0.00 C ATOM 76 CG GLU A 96 51.283 4.870 15.053 1.00 0.00 C ATOM 77 CD GLU A 96 50.731 5.002 13.637 1.00 0.00 C ATOM 78 OE1 GLU A 96 50.731 4.010 12.928 1.00 0.00 O ATOM 79 OE2 GLU A 96 50.316 6.093 13.284 1.00 0.00 O ATOM 0 H GLU A 96 53.406 2.375 16.656 1.00 0.00 H new ATOM 0 HA GLU A 96 51.259 2.451 14.713 1.00 0.00 H new ATOM 0 HB2 GLU A 96 53.174 4.291 15.924 1.00 0.00 H new ATOM 0 HB3 GLU A 96 53.215 4.454 14.180 1.00 0.00 H new ATOM 0 HG2 GLU A 96 50.567 4.348 15.687 1.00 0.00 H new ATOM 0 HG3 GLU A 96 51.435 5.857 15.490 1.00 0.00 H new ATOM 86 N LEU A 97 54.312 1.593 13.920 1.00 0.00 N ATOM 87 CA LEU A 97 55.146 1.053 12.851 1.00 0.00 C ATOM 88 C LEU A 97 54.598 -0.289 12.379 1.00 0.00 C ATOM 89 O LEU A 97 54.563 -0.576 11.182 1.00 0.00 O ATOM 90 CB LEU A 97 56.584 0.862 13.338 1.00 0.00 C ATOM 91 CG LEU A 97 57.467 1.973 12.768 1.00 0.00 C ATOM 92 CD1 LEU A 97 58.650 2.216 13.706 1.00 0.00 C ATOM 93 CD2 LEU A 97 57.988 1.553 11.392 1.00 0.00 C ATOM 0 H LEU A 97 54.736 1.567 14.847 1.00 0.00 H new ATOM 0 HA LEU A 97 55.136 1.762 12.023 1.00 0.00 H new ATOM 0 HB2 LEU A 97 56.616 0.880 14.427 1.00 0.00 H new ATOM 0 HB3 LEU A 97 56.959 -0.112 13.025 1.00 0.00 H new ATOM 0 HG LEU A 97 56.883 2.889 12.674 1.00 0.00 H new ATOM 0 HD11 LEU A 97 59.280 3.008 13.300 1.00 0.00 H new ATOM 0 HD12 LEU A 97 58.281 2.513 14.688 1.00 0.00 H new ATOM 0 HD13 LEU A 97 59.234 1.300 13.800 1.00 0.00 H new ATOM 0 HD21 LEU A 97 58.618 2.344 10.984 1.00 0.00 H new ATOM 0 HD22 LEU A 97 58.572 0.638 11.488 1.00 0.00 H new ATOM 0 HD23 LEU A 97 57.146 1.378 10.722 1.00 0.00 H new ATOM 105 N SER A 98 54.167 -1.108 13.334 1.00 0.00 N ATOM 106 CA SER A 98 53.616 -2.420 13.008 1.00 0.00 C ATOM 107 C SER A 98 52.625 -2.302 11.856 1.00 0.00 C ATOM 108 O SER A 98 52.497 -3.205 11.030 1.00 0.00 O ATOM 109 CB SER A 98 52.900 -3.015 14.220 1.00 0.00 C ATOM 110 OG SER A 98 53.860 -3.578 15.105 1.00 0.00 O ATOM 0 H SER A 98 54.188 -0.890 14.330 1.00 0.00 H new ATOM 0 HA SER A 98 54.440 -3.072 12.718 1.00 0.00 H new ATOM 0 HB2 SER A 98 52.325 -2.243 14.732 1.00 0.00 H new ATOM 0 HB3 SER A 98 52.192 -3.779 13.899 1.00 0.00 H new ATOM 0 HG SER A 98 54.282 -2.864 15.627 1.00 0.00 H new ATOM 116 N ASP A 99 51.926 -1.172 11.813 1.00 0.00 N ATOM 117 CA ASP A 99 50.943 -0.933 10.761 1.00 0.00 C ATOM 118 C ASP A 99 51.633 -0.484 9.478 1.00 0.00 C ATOM 119 O ASP A 99 51.333 -0.977 8.394 1.00 0.00 O ATOM 120 CB ASP A 99 49.949 0.146 11.194 1.00 0.00 C ATOM 121 CG ASP A 99 48.717 -0.513 11.804 1.00 0.00 C ATOM 122 OD1 ASP A 99 48.738 -1.721 11.975 1.00 0.00 O ATOM 123 OD2 ASP A 99 47.770 0.201 12.093 1.00 0.00 O ATOM 0 H ASP A 99 52.020 -0.413 12.488 1.00 0.00 H new ATOM 0 HA ASP A 99 50.411 -1.867 10.580 1.00 0.00 H new ATOM 0 HB2 ASP A 99 50.414 0.814 11.919 1.00 0.00 H new ATOM 0 HB3 ASP A 99 49.662 0.756 10.337 1.00 0.00 H new ATOM 128 N LEU A 100 52.558 0.461 9.614 1.00 0.00 N ATOM 129 CA LEU A 100 53.285 0.974 8.455 1.00 0.00 C ATOM 130 C LEU A 100 53.695 -0.167 7.526 1.00 0.00 C ATOM 131 O LEU A 100 53.165 -0.310 6.424 1.00 0.00 O ATOM 132 CB LEU A 100 54.540 1.728 8.903 1.00 0.00 C ATOM 133 CG LEU A 100 54.453 3.184 8.444 1.00 0.00 C ATOM 134 CD1 LEU A 100 55.158 4.083 9.462 1.00 0.00 C ATOM 135 CD2 LEU A 100 55.133 3.329 7.080 1.00 0.00 C ATOM 0 H LEU A 100 52.821 0.884 10.504 1.00 0.00 H new ATOM 0 HA LEU A 100 52.622 1.654 7.919 1.00 0.00 H new ATOM 0 HB2 LEU A 100 54.636 1.683 9.988 1.00 0.00 H new ATOM 0 HB3 LEU A 100 55.429 1.256 8.484 1.00 0.00 H new ATOM 0 HG LEU A 100 53.406 3.478 8.363 1.00 0.00 H new ATOM 0 HD11 LEU A 100 55.096 5.121 9.135 1.00 0.00 H new ATOM 0 HD12 LEU A 100 54.676 3.979 10.434 1.00 0.00 H new ATOM 0 HD13 LEU A 100 56.205 3.790 9.543 1.00 0.00 H new ATOM 0 HD21 LEU A 100 55.072 4.366 6.751 1.00 0.00 H new ATOM 0 HD22 LEU A 100 56.180 3.036 7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 100 54.632 2.688 6.354 1.00 0.00 H new ATOM 147 N PHE A 101 54.650 -0.973 7.983 1.00 0.00 N ATOM 148 CA PHE A 101 55.137 -2.099 7.189 1.00 0.00 C ATOM 149 C PHE A 101 53.991 -2.785 6.452 1.00 0.00 C ATOM 150 O PHE A 101 54.026 -2.941 5.231 1.00 0.00 O ATOM 151 CB PHE A 101 55.833 -3.125 8.085 1.00 0.00 C ATOM 152 CG PHE A 101 56.822 -3.919 7.265 1.00 0.00 C ATOM 153 CD1 PHE A 101 56.364 -4.802 6.279 1.00 0.00 C ATOM 154 CD2 PHE A 101 58.196 -3.772 7.489 1.00 0.00 C ATOM 155 CE1 PHE A 101 57.281 -5.538 5.517 1.00 0.00 C ATOM 156 CE2 PHE A 101 59.113 -4.508 6.728 1.00 0.00 C ATOM 157 CZ PHE A 101 58.655 -5.391 5.742 1.00 0.00 C ATOM 0 H PHE A 101 55.100 -0.869 8.893 1.00 0.00 H new ATOM 0 HA PHE A 101 55.846 -1.705 6.461 1.00 0.00 H new ATOM 0 HB2 PHE A 101 56.345 -2.620 8.904 1.00 0.00 H new ATOM 0 HB3 PHE A 101 55.096 -3.792 8.533 1.00 0.00 H new ATOM 0 HD1 PHE A 101 55.304 -4.916 6.106 1.00 0.00 H new ATOM 0 HD2 PHE A 101 58.549 -3.091 8.249 1.00 0.00 H new ATOM 0 HE1 PHE A 101 56.928 -6.219 4.756 1.00 0.00 H new ATOM 0 HE2 PHE A 101 60.173 -4.395 6.901 1.00 0.00 H new ATOM 0 HZ PHE A 101 59.362 -5.959 5.155 1.00 0.00 H new ATOM 167 N ARG A 102 52.973 -3.193 7.204 1.00 0.00 N ATOM 168 CA ARG A 102 51.821 -3.862 6.604 1.00 0.00 C ATOM 169 C ARG A 102 51.082 -2.894 5.695 1.00 0.00 C ATOM 170 O ARG A 102 50.536 -3.275 4.659 1.00 0.00 O ATOM 171 CB ARG A 102 50.863 -4.366 7.686 1.00 0.00 C ATOM 172 CG ARG A 102 49.759 -5.205 7.038 1.00 0.00 C ATOM 173 CD ARG A 102 49.863 -6.652 7.524 1.00 0.00 C ATOM 174 NE ARG A 102 49.804 -6.709 8.982 1.00 0.00 N ATOM 175 CZ ARG A 102 49.944 -7.863 9.628 1.00 0.00 C ATOM 176 NH1 ARG A 102 50.136 -8.966 8.958 1.00 0.00 N ATOM 177 NH2 ARG A 102 49.889 -7.892 10.932 1.00 0.00 N ATOM 0 H ARG A 102 52.921 -3.075 8.216 1.00 0.00 H new ATOM 0 HA ARG A 102 52.181 -4.713 6.026 1.00 0.00 H new ATOM 0 HB2 ARG A 102 51.406 -4.963 8.418 1.00 0.00 H new ATOM 0 HB3 ARG A 102 50.427 -3.523 8.222 1.00 0.00 H new ATOM 0 HG2 ARG A 102 48.781 -4.795 7.291 1.00 0.00 H new ATOM 0 HG3 ARG A 102 49.850 -5.168 5.952 1.00 0.00 H new ATOM 0 HD2 ARG A 102 49.053 -7.244 7.098 1.00 0.00 H new ATOM 0 HD3 ARG A 102 50.797 -7.093 7.175 1.00 0.00 H new ATOM 0 HE ARG A 102 49.653 -5.851 9.513 1.00 0.00 H new ATOM 0 HH11 ARG A 102 50.179 -8.943 7.939 1.00 0.00 H new ATOM 0 HH12 ARG A 102 50.243 -9.851 9.453 1.00 0.00 H new ATOM 0 HH21 ARG A 102 49.739 -7.030 11.455 1.00 0.00 H new ATOM 0 HH22 ARG A 102 49.996 -8.777 11.427 1.00 0.00 H new ATOM 191 N MET A 103 51.084 -1.630 6.097 1.00 0.00 N ATOM 192 CA MET A 103 50.428 -0.586 5.325 1.00 0.00 C ATOM 193 C MET A 103 51.048 -0.512 3.936 1.00 0.00 C ATOM 194 O MET A 103 50.431 -0.034 2.984 1.00 0.00 O ATOM 195 CB MET A 103 50.593 0.761 6.030 1.00 0.00 C ATOM 196 CG MET A 103 49.356 1.631 5.792 1.00 0.00 C ATOM 197 SD MET A 103 47.890 0.791 6.444 1.00 0.00 S ATOM 198 CE MET A 103 47.408 2.062 7.639 1.00 0.00 C ATOM 0 H MET A 103 51.533 -1.304 6.953 1.00 0.00 H new ATOM 0 HA MET A 103 49.367 -0.819 5.238 1.00 0.00 H new ATOM 0 HB2 MET A 103 50.739 0.606 7.099 1.00 0.00 H new ATOM 0 HB3 MET A 103 51.482 1.269 5.658 1.00 0.00 H new ATOM 0 HG2 MET A 103 49.480 2.598 6.279 1.00 0.00 H new ATOM 0 HG3 MET A 103 49.234 1.824 4.726 1.00 0.00 H new ATOM 0 HE1 MET A 103 46.508 1.744 8.165 1.00 0.00 H new ATOM 0 HE2 MET A 103 48.214 2.211 8.357 1.00 0.00 H new ATOM 0 HE3 MET A 103 47.211 2.998 7.116 1.00 0.00 H new ATOM 208 N PHE A 104 52.278 -1.005 3.837 1.00 0.00 N ATOM 209 CA PHE A 104 52.992 -1.011 2.566 1.00 0.00 C ATOM 210 C PHE A 104 52.899 -2.392 1.925 1.00 0.00 C ATOM 211 O PHE A 104 52.910 -2.530 0.702 1.00 0.00 O ATOM 212 CB PHE A 104 54.463 -0.648 2.779 1.00 0.00 C ATOM 213 CG PHE A 104 54.959 0.156 1.600 1.00 0.00 C ATOM 214 CD1 PHE A 104 55.131 -0.458 0.355 1.00 0.00 C ATOM 215 CD2 PHE A 104 55.247 1.518 1.755 1.00 0.00 C ATOM 216 CE1 PHE A 104 55.591 0.288 -0.737 1.00 0.00 C ATOM 217 CE2 PHE A 104 55.707 2.264 0.663 1.00 0.00 C ATOM 218 CZ PHE A 104 55.879 1.649 -0.583 1.00 0.00 C ATOM 0 H PHE A 104 52.799 -1.404 4.618 1.00 0.00 H new ATOM 0 HA PHE A 104 52.535 -0.272 1.908 1.00 0.00 H new ATOM 0 HB2 PHE A 104 54.578 -0.074 3.698 1.00 0.00 H new ATOM 0 HB3 PHE A 104 55.059 -1.553 2.892 1.00 0.00 H new ATOM 0 HD1 PHE A 104 54.909 -1.508 0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 104 55.114 1.992 2.716 1.00 0.00 H new ATOM 0 HE1 PHE A 104 55.724 -0.187 -1.698 1.00 0.00 H new ATOM 0 HE2 PHE A 104 55.929 3.314 0.782 1.00 0.00 H new ATOM 0 HZ PHE A 104 56.234 2.225 -1.425 1.00 0.00 H new ATOM 228 N ASP A 105 52.794 -3.415 2.772 1.00 0.00 N ATOM 229 CA ASP A 105 52.683 -4.788 2.288 1.00 0.00 C ATOM 230 C ASP A 105 51.258 -5.057 1.815 1.00 0.00 C ATOM 231 O ASP A 105 50.439 -5.614 2.546 1.00 0.00 O ATOM 232 CB ASP A 105 53.036 -5.778 3.400 1.00 0.00 C ATOM 233 CG ASP A 105 54.369 -6.447 3.082 1.00 0.00 C ATOM 234 OD1 ASP A 105 54.702 -6.535 1.912 1.00 0.00 O ATOM 235 OD2 ASP A 105 55.038 -6.861 4.015 1.00 0.00 O ATOM 0 H ASP A 105 52.784 -3.320 3.787 1.00 0.00 H new ATOM 0 HA ASP A 105 53.378 -4.918 1.459 1.00 0.00 H new ATOM 0 HB2 ASP A 105 53.096 -5.260 4.357 1.00 0.00 H new ATOM 0 HB3 ASP A 105 52.253 -6.530 3.494 1.00 0.00 H new ATOM 240 N LYS A 106 50.969 -4.636 0.588 1.00 0.00 N ATOM 241 CA LYS A 106 49.634 -4.814 0.024 1.00 0.00 C ATOM 242 C LYS A 106 49.435 -6.233 -0.505 1.00 0.00 C ATOM 243 O LYS A 106 48.346 -6.589 -0.955 1.00 0.00 O ATOM 244 CB LYS A 106 49.406 -3.823 -1.119 1.00 0.00 C ATOM 245 CG LYS A 106 48.909 -2.490 -0.552 1.00 0.00 C ATOM 246 CD LYS A 106 47.582 -2.702 0.182 1.00 0.00 C ATOM 247 CE LYS A 106 46.659 -3.582 -0.665 1.00 0.00 C ATOM 248 NZ LYS A 106 45.239 -3.273 -0.338 1.00 0.00 N ATOM 0 H LYS A 106 51.634 -4.173 -0.031 1.00 0.00 H new ATOM 0 HA LYS A 106 48.916 -4.634 0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 106 50.333 -3.671 -1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 106 48.677 -4.225 -1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 106 49.651 -2.075 0.131 1.00 0.00 H new ATOM 0 HG3 LYS A 106 48.778 -1.768 -1.358 1.00 0.00 H new ATOM 0 HD2 LYS A 106 47.761 -3.172 1.149 1.00 0.00 H new ATOM 0 HD3 LYS A 106 47.106 -1.741 0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 106 46.845 -3.408 -1.725 1.00 0.00 H new ATOM 0 HE3 LYS A 106 46.866 -4.635 -0.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 44.612 -3.871 -0.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 45.066 -3.460 0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 45.046 -2.272 -0.542 1.00 0.00 H new ATOM 262 N ASN A 107 50.489 -7.043 -0.449 1.00 0.00 N ATOM 263 CA ASN A 107 50.393 -8.419 -0.932 1.00 0.00 C ATOM 264 C ASN A 107 51.147 -9.373 -0.007 1.00 0.00 C ATOM 265 O ASN A 107 50.673 -10.468 0.298 1.00 0.00 O ATOM 266 CB ASN A 107 50.948 -8.531 -2.361 1.00 0.00 C ATOM 267 CG ASN A 107 52.465 -8.710 -2.332 1.00 0.00 C ATOM 268 OD1 ASN A 107 53.222 -7.712 -1.969 1.00 0.00 O flip ATOM 269 ND2 ASN A 107 52.976 -9.785 -2.649 1.00 0.00 N flip ATOM 0 H ASN A 107 51.403 -6.778 -0.082 1.00 0.00 H new ATOM 0 HA ASN A 107 49.339 -8.699 -0.939 1.00 0.00 H new ATOM 0 HB2 ASN A 107 50.486 -9.376 -2.872 1.00 0.00 H new ATOM 0 HB3 ASN A 107 50.692 -7.636 -2.928 1.00 0.00 H new ATOM 0 HD21 ASN A 107 52.385 -10.566 -2.933 1.00 0.00 H new ATOM 0 HD22 ASN A 107 53.990 -9.894 -2.627 1.00 0.00 H new ATOM 276 N ALA A 108 52.326 -8.946 0.434 1.00 0.00 N ATOM 277 CA ALA A 108 53.137 -9.770 1.320 1.00 0.00 C ATOM 278 C ALA A 108 52.829 -9.447 2.777 1.00 0.00 C ATOM 279 O ALA A 108 51.870 -8.740 3.085 1.00 0.00 O ATOM 280 CB ALA A 108 54.625 -9.531 1.060 1.00 0.00 C ATOM 0 H ALA A 108 52.737 -8.044 0.195 1.00 0.00 H new ATOM 0 HA ALA A 108 52.898 -10.815 1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 108 55.216 -10.155 1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 108 54.859 -9.786 0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 108 54.861 -8.482 1.237 1.00 0.00 H new ATOM 286 N ASP A 109 53.657 -9.979 3.667 1.00 0.00 N ATOM 287 CA ASP A 109 53.476 -9.750 5.098 1.00 0.00 C ATOM 288 C ASP A 109 54.790 -9.965 5.841 1.00 0.00 C ATOM 289 O ASP A 109 54.862 -10.744 6.791 1.00 0.00 O ATOM 290 CB ASP A 109 52.419 -10.702 5.668 1.00 0.00 C ATOM 291 CG ASP A 109 52.399 -11.995 4.858 1.00 0.00 C ATOM 292 OD1 ASP A 109 52.133 -11.922 3.670 1.00 0.00 O ATOM 293 OD2 ASP A 109 52.650 -13.038 5.438 1.00 0.00 O ATOM 0 H ASP A 109 54.455 -10.568 3.428 1.00 0.00 H new ATOM 0 HA ASP A 109 53.144 -8.720 5.233 1.00 0.00 H new ATOM 0 HB2 ASP A 109 52.638 -10.920 6.713 1.00 0.00 H new ATOM 0 HB3 ASP A 109 51.437 -10.229 5.640 1.00 0.00 H new ATOM 298 N GLY A 110 55.830 -9.263 5.399 1.00 0.00 N ATOM 299 CA GLY A 110 57.140 -9.386 6.033 1.00 0.00 C ATOM 300 C GLY A 110 58.235 -8.810 5.143 1.00 0.00 C ATOM 301 O GLY A 110 59.285 -8.384 5.625 1.00 0.00 O ATOM 0 H GLY A 110 55.794 -8.611 4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 110 57.134 -8.866 6.991 1.00 0.00 H new ATOM 0 HA3 GLY A 110 57.350 -10.435 6.241 1.00 0.00 H new ATOM 305 N TYR A 111 57.983 -8.803 3.837 1.00 0.00 N ATOM 306 CA TYR A 111 58.962 -8.277 2.888 1.00 0.00 C ATOM 307 C TYR A 111 58.269 -7.510 1.766 1.00 0.00 C ATOM 308 O TYR A 111 57.503 -8.077 0.987 1.00 0.00 O ATOM 309 CB TYR A 111 59.780 -9.416 2.275 1.00 0.00 C ATOM 310 CG TYR A 111 60.661 -10.032 3.335 1.00 0.00 C ATOM 311 CD1 TYR A 111 61.901 -9.457 3.635 1.00 0.00 C ATOM 312 CD2 TYR A 111 60.237 -11.179 4.017 1.00 0.00 C ATOM 313 CE1 TYR A 111 62.718 -10.029 4.618 1.00 0.00 C ATOM 314 CE2 TYR A 111 61.053 -11.750 5.000 1.00 0.00 C ATOM 315 CZ TYR A 111 62.294 -11.175 5.301 1.00 0.00 C ATOM 316 OH TYR A 111 63.098 -11.738 6.270 1.00 0.00 O ATOM 0 H TYR A 111 57.122 -9.150 3.415 1.00 0.00 H new ATOM 0 HA TYR A 111 59.623 -7.603 3.433 1.00 0.00 H new ATOM 0 HB2 TYR A 111 59.115 -10.171 1.856 1.00 0.00 H new ATOM 0 HB3 TYR A 111 60.390 -9.039 1.454 1.00 0.00 H new ATOM 0 HD1 TYR A 111 62.228 -8.572 3.109 1.00 0.00 H new ATOM 0 HD2 TYR A 111 59.280 -11.623 3.784 1.00 0.00 H new ATOM 0 HE1 TYR A 111 63.675 -9.586 4.849 1.00 0.00 H new ATOM 0 HE2 TYR A 111 60.726 -12.634 5.527 1.00 0.00 H new ATOM 0 HH TYR A 111 62.654 -12.526 6.646 1.00 0.00 H new ATOM 326 N ILE A 112 58.554 -6.213 1.690 1.00 0.00 N ATOM 327 CA ILE A 112 57.961 -5.373 0.654 1.00 0.00 C ATOM 328 C ILE A 112 58.707 -5.561 -0.664 1.00 0.00 C ATOM 329 O ILE A 112 59.927 -5.723 -0.686 1.00 0.00 O ATOM 330 CB ILE A 112 58.017 -3.897 1.062 1.00 0.00 C ATOM 331 CG1 ILE A 112 56.975 -3.634 2.150 1.00 0.00 C ATOM 332 CG2 ILE A 112 57.718 -3.009 -0.149 1.00 0.00 C ATOM 333 CD1 ILE A 112 57.659 -3.030 3.376 1.00 0.00 C ATOM 0 H ILE A 112 59.185 -5.725 2.326 1.00 0.00 H new ATOM 0 HA ILE A 112 56.919 -5.669 0.528 1.00 0.00 H new ATOM 0 HB ILE A 112 59.013 -3.666 1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 112 56.208 -2.955 1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 112 56.474 -4.563 2.421 1.00 0.00 H new ATOM 0 HG21 ILE A 112 57.760 -1.961 0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 112 58.458 -3.194 -0.928 1.00 0.00 H new ATOM 0 HG23 ILE A 112 56.723 -3.238 -0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 112 56.916 -2.842 4.152 1.00 0.00 H new ATOM 0 HD12 ILE A 112 58.410 -3.725 3.753 1.00 0.00 H new ATOM 0 HD13 ILE A 112 58.139 -2.092 3.099 1.00 0.00 H new ATOM 345 N ASP A 113 57.958 -5.540 -1.761 1.00 0.00 N ATOM 346 CA ASP A 113 58.556 -5.710 -3.084 1.00 0.00 C ATOM 347 C ASP A 113 58.300 -4.480 -3.947 1.00 0.00 C ATOM 348 O ASP A 113 57.447 -3.649 -3.634 1.00 0.00 O ATOM 349 CB ASP A 113 57.973 -6.940 -3.783 1.00 0.00 C ATOM 350 CG ASP A 113 56.528 -7.142 -3.341 1.00 0.00 C ATOM 351 OD1 ASP A 113 55.719 -6.269 -3.609 1.00 0.00 O ATOM 352 OD2 ASP A 113 56.250 -8.168 -2.740 1.00 0.00 O ATOM 0 H ASP A 113 56.947 -5.409 -1.764 1.00 0.00 H new ATOM 0 HA ASP A 113 59.630 -5.844 -2.952 1.00 0.00 H new ATOM 0 HB2 ASP A 113 58.019 -6.812 -4.864 1.00 0.00 H new ATOM 0 HB3 ASP A 113 58.565 -7.823 -3.541 1.00 0.00 H new ATOM 357 N LEU A 114 59.051 -4.373 -5.040 1.00 0.00 N ATOM 358 CA LEU A 114 58.899 -3.238 -5.947 1.00 0.00 C ATOM 359 C LEU A 114 57.458 -3.139 -6.434 1.00 0.00 C ATOM 360 O LEU A 114 56.926 -2.045 -6.623 1.00 0.00 O ATOM 361 CB LEU A 114 59.827 -3.385 -7.153 1.00 0.00 C ATOM 362 CG LEU A 114 60.512 -2.046 -7.430 1.00 0.00 C ATOM 363 CD1 LEU A 114 61.548 -1.768 -6.339 1.00 0.00 C ATOM 364 CD2 LEU A 114 61.209 -2.102 -8.791 1.00 0.00 C ATOM 0 H LEU A 114 59.763 -5.049 -5.317 1.00 0.00 H new ATOM 0 HA LEU A 114 59.162 -2.332 -5.401 1.00 0.00 H new ATOM 0 HB2 LEU A 114 60.574 -4.155 -6.960 1.00 0.00 H new ATOM 0 HB3 LEU A 114 59.259 -3.704 -8.027 1.00 0.00 H new ATOM 0 HG LEU A 114 59.767 -1.251 -7.435 1.00 0.00 H new ATOM 0 HD11 LEU A 114 62.037 -0.814 -6.536 1.00 0.00 H new ATOM 0 HD12 LEU A 114 61.053 -1.729 -5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 114 62.294 -2.563 -6.334 1.00 0.00 H new ATOM 0 HD21 LEU A 114 61.697 -1.148 -8.989 1.00 0.00 H new ATOM 0 HD22 LEU A 114 61.955 -2.897 -8.786 1.00 0.00 H new ATOM 0 HD23 LEU A 114 60.472 -2.301 -9.569 1.00 0.00 H new ATOM 376 N GLU A 115 56.831 -4.295 -6.631 1.00 0.00 N ATOM 377 CA GLU A 115 55.446 -4.325 -7.091 1.00 0.00 C ATOM 378 C GLU A 115 54.582 -3.440 -6.201 1.00 0.00 C ATOM 379 O GLU A 115 53.686 -2.742 -6.674 1.00 0.00 O ATOM 380 CB GLU A 115 54.900 -5.754 -7.060 1.00 0.00 C ATOM 381 CG GLU A 115 55.456 -6.538 -8.250 1.00 0.00 C ATOM 382 CD GLU A 115 55.157 -5.784 -9.541 1.00 0.00 C ATOM 383 OE1 GLU A 115 53.988 -5.602 -9.841 1.00 0.00 O ATOM 384 OE2 GLU A 115 56.101 -5.397 -10.210 1.00 0.00 O ATOM 0 H GLU A 115 57.253 -5.212 -6.482 1.00 0.00 H new ATOM 0 HA GLU A 115 55.418 -3.954 -8.116 1.00 0.00 H new ATOM 0 HB2 GLU A 115 55.180 -6.242 -6.126 1.00 0.00 H new ATOM 0 HB3 GLU A 115 53.811 -5.739 -7.097 1.00 0.00 H new ATOM 0 HG2 GLU A 115 56.531 -6.676 -8.138 1.00 0.00 H new ATOM 0 HG3 GLU A 115 55.009 -7.532 -8.285 1.00 0.00 H new ATOM 391 N GLU A 116 54.870 -3.472 -4.903 1.00 0.00 N ATOM 392 CA GLU A 116 54.123 -2.663 -3.945 1.00 0.00 C ATOM 393 C GLU A 116 54.527 -1.199 -4.069 1.00 0.00 C ATOM 394 O GLU A 116 53.682 -0.304 -4.089 1.00 0.00 O ATOM 395 CB GLU A 116 54.397 -3.136 -2.517 1.00 0.00 C ATOM 396 CG GLU A 116 53.617 -4.423 -2.245 1.00 0.00 C ATOM 397 CD GLU A 116 54.150 -5.080 -0.977 1.00 0.00 C ATOM 398 OE1 GLU A 116 55.270 -4.776 -0.602 1.00 0.00 O ATOM 399 OE2 GLU A 116 53.430 -5.877 -0.399 1.00 0.00 O ATOM 0 H GLU A 116 55.608 -4.044 -4.493 1.00 0.00 H new ATOM 0 HA GLU A 116 53.060 -2.771 -4.163 1.00 0.00 H new ATOM 0 HB2 GLU A 116 55.464 -3.309 -2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 116 54.105 -2.364 -1.805 1.00 0.00 H new ATOM 0 HG2 GLU A 116 52.556 -4.201 -2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 116 53.714 -5.105 -3.090 1.00 0.00 H new ATOM 406 N LEU A 117 55.834 -0.967 -4.157 1.00 0.00 N ATOM 407 CA LEU A 117 56.353 0.391 -4.284 1.00 0.00 C ATOM 408 C LEU A 117 55.595 1.150 -5.369 1.00 0.00 C ATOM 409 O LEU A 117 54.965 2.174 -5.107 1.00 0.00 O ATOM 410 CB LEU A 117 57.840 0.365 -4.641 1.00 0.00 C ATOM 411 CG LEU A 117 58.674 0.481 -3.365 1.00 0.00 C ATOM 412 CD1 LEU A 117 59.187 -0.903 -2.961 1.00 0.00 C ATOM 413 CD2 LEU A 117 59.863 1.411 -3.618 1.00 0.00 C ATOM 0 H LEU A 117 56.548 -1.695 -4.143 1.00 0.00 H new ATOM 0 HA LEU A 117 56.219 0.894 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 117 58.083 -0.560 -5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 117 58.076 1.186 -5.318 1.00 0.00 H new ATOM 0 HG LEU A 117 58.057 0.887 -2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 117 59.782 -0.819 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 117 58.341 -1.567 -2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 117 59.804 -1.310 -3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 117 60.459 1.495 -2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 117 60.479 1.004 -4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 117 59.499 2.397 -3.906 1.00 0.00 H new ATOM 425 N LYS A 118 55.665 0.633 -6.593 1.00 0.00 N ATOM 426 CA LYS A 118 54.982 1.268 -7.716 1.00 0.00 C ATOM 427 C LYS A 118 53.554 1.642 -7.329 1.00 0.00 C ATOM 428 O LYS A 118 53.163 2.807 -7.390 1.00 0.00 O ATOM 429 CB LYS A 118 54.941 0.326 -8.922 1.00 0.00 C ATOM 430 CG LYS A 118 56.365 0.081 -9.426 1.00 0.00 C ATOM 431 CD LYS A 118 56.555 -1.408 -9.719 1.00 0.00 C ATOM 432 CE LYS A 118 57.679 -1.587 -10.741 1.00 0.00 C ATOM 433 NZ LYS A 118 57.389 -2.771 -11.598 1.00 0.00 N ATOM 0 H LYS A 118 56.181 -0.214 -6.831 1.00 0.00 H new ATOM 0 HA LYS A 118 55.536 2.169 -7.979 1.00 0.00 H new ATOM 0 HB2 LYS A 118 54.475 -0.619 -8.643 1.00 0.00 H new ATOM 0 HB3 LYS A 118 54.332 0.760 -9.715 1.00 0.00 H new ATOM 0 HG2 LYS A 118 56.548 0.666 -10.327 1.00 0.00 H new ATOM 0 HG3 LYS A 118 57.088 0.410 -8.680 1.00 0.00 H new ATOM 0 HD2 LYS A 118 56.796 -1.943 -8.800 1.00 0.00 H new ATOM 0 HD3 LYS A 118 55.629 -1.835 -10.103 1.00 0.00 H new ATOM 0 HE2 LYS A 118 57.770 -0.693 -11.357 1.00 0.00 H new ATOM 0 HE3 LYS A 118 58.632 -1.720 -10.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 58.268 -3.098 -12.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 56.994 -3.535 -11.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 56.702 -2.508 -12.333 1.00 0.00 H new ATOM 447 N ILE A 119 52.781 0.637 -6.929 1.00 0.00 N ATOM 448 CA ILE A 119 51.394 0.866 -6.532 1.00 0.00 C ATOM 449 C ILE A 119 51.313 1.966 -5.479 1.00 0.00 C ATOM 450 O ILE A 119 50.312 2.675 -5.377 1.00 0.00 O ATOM 451 CB ILE A 119 50.782 -0.414 -5.961 1.00 0.00 C ATOM 452 CG1 ILE A 119 50.636 -1.451 -7.076 1.00 0.00 C ATOM 453 CG2 ILE A 119 49.404 -0.104 -5.374 1.00 0.00 C ATOM 454 CD1 ILE A 119 50.092 -2.756 -6.490 1.00 0.00 C ATOM 0 H ILE A 119 53.086 -0.335 -6.871 1.00 0.00 H new ATOM 0 HA ILE A 119 50.838 1.171 -7.419 1.00 0.00 H new ATOM 0 HB ILE A 119 51.431 -0.808 -5.179 1.00 0.00 H new ATOM 0 HG12 ILE A 119 49.963 -1.078 -7.848 1.00 0.00 H new ATOM 0 HG13 ILE A 119 51.601 -1.628 -7.552 1.00 0.00 H new ATOM 0 HG21 ILE A 119 48.968 -1.016 -4.967 1.00 0.00 H new ATOM 0 HG22 ILE A 119 49.505 0.635 -4.580 1.00 0.00 H new ATOM 0 HG23 ILE A 119 48.756 0.290 -6.156 1.00 0.00 H new ATOM 0 HD11 ILE A 119 49.988 -3.496 -7.284 1.00 0.00 H new ATOM 0 HD12 ILE A 119 50.782 -3.130 -5.734 1.00 0.00 H new ATOM 0 HD13 ILE A 119 49.119 -2.573 -6.035 1.00 0.00 H new ATOM 466 N MET A 120 52.377 2.096 -4.693 1.00 0.00 N ATOM 467 CA MET A 120 52.416 3.112 -3.644 1.00 0.00 C ATOM 468 C MET A 120 52.744 4.482 -4.232 1.00 0.00 C ATOM 469 O MET A 120 52.618 5.506 -3.561 1.00 0.00 O ATOM 470 CB MET A 120 53.468 2.753 -2.593 1.00 0.00 C ATOM 471 CG MET A 120 52.800 2.631 -1.223 1.00 0.00 C ATOM 472 SD MET A 120 52.619 4.277 -0.491 1.00 0.00 S ATOM 473 CE MET A 120 52.330 3.738 1.212 1.00 0.00 C ATOM 0 H MET A 120 53.215 1.519 -4.760 1.00 0.00 H new ATOM 0 HA MET A 120 51.432 3.149 -3.176 1.00 0.00 H new ATOM 0 HB2 MET A 120 53.955 1.814 -2.857 1.00 0.00 H new ATOM 0 HB3 MET A 120 54.244 3.518 -2.564 1.00 0.00 H new ATOM 0 HG2 MET A 120 51.824 2.157 -1.324 1.00 0.00 H new ATOM 0 HG3 MET A 120 53.398 1.995 -0.570 1.00 0.00 H new ATOM 0 HE1 MET A 120 51.680 4.454 1.715 1.00 0.00 H new ATOM 0 HE2 MET A 120 51.854 2.757 1.207 1.00 0.00 H new ATOM 0 HE3 MET A 120 53.281 3.677 1.741 1.00 0.00 H new ATOM 483 N LEU A 121 53.169 4.490 -5.493 1.00 0.00 N ATOM 484 CA LEU A 121 53.515 5.743 -6.161 1.00 0.00 C ATOM 485 C LEU A 121 52.458 6.106 -7.202 1.00 0.00 C ATOM 486 O LEU A 121 51.789 7.134 -7.097 1.00 0.00 O ATOM 487 CB LEU A 121 54.873 5.621 -6.855 1.00 0.00 C ATOM 488 CG LEU A 121 55.916 5.121 -5.855 1.00 0.00 C ATOM 489 CD1 LEU A 121 57.239 4.863 -6.580 1.00 0.00 C ATOM 490 CD2 LEU A 121 56.130 6.178 -4.770 1.00 0.00 C ATOM 0 H LEU A 121 53.281 3.655 -6.067 1.00 0.00 H new ATOM 0 HA LEU A 121 53.561 6.525 -5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 121 54.802 4.932 -7.697 1.00 0.00 H new ATOM 0 HB3 LEU A 121 55.175 6.588 -7.258 1.00 0.00 H new ATOM 0 HG LEU A 121 55.565 4.195 -5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 121 57.982 4.507 -5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 121 57.089 4.110 -7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 121 57.590 5.788 -7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 121 56.873 5.822 -4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 121 56.480 7.103 -5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 121 55.189 6.363 -4.251 1.00 0.00 H new ATOM 502 N GLN A 122 52.321 5.251 -8.210 1.00 0.00 N ATOM 503 CA GLN A 122 51.347 5.486 -9.273 1.00 0.00 C ATOM 504 C GLN A 122 49.940 5.620 -8.696 1.00 0.00 C ATOM 505 O GLN A 122 49.234 6.593 -8.962 1.00 0.00 O ATOM 506 CB GLN A 122 51.365 4.331 -10.277 1.00 0.00 C ATOM 507 CG GLN A 122 52.474 4.564 -11.304 1.00 0.00 C ATOM 508 CD GLN A 122 53.379 3.339 -11.364 1.00 0.00 C ATOM 509 OE1 GLN A 122 54.312 3.209 -10.572 1.00 0.00 O ATOM 510 NE2 GLN A 122 53.158 2.423 -12.267 1.00 0.00 N ATOM 0 H GLN A 122 52.867 4.395 -8.314 1.00 0.00 H new ATOM 0 HA GLN A 122 51.619 6.413 -9.777 1.00 0.00 H new ATOM 0 HB2 GLN A 122 51.528 3.387 -9.758 1.00 0.00 H new ATOM 0 HB3 GLN A 122 50.400 4.256 -10.779 1.00 0.00 H new ATOM 0 HG2 GLN A 122 52.040 4.757 -12.285 1.00 0.00 H new ATOM 0 HG3 GLN A 122 53.055 5.445 -11.033 1.00 0.00 H new ATOM 0 HE21 GLN A 122 52.385 2.530 -12.924 1.00 0.00 H new ATOM 0 HE22 GLN A 122 53.758 1.600 -12.316 1.00 0.00 H new ATOM 519 N ALA A 123 49.541 4.626 -7.908 1.00 0.00 N ATOM 520 CA ALA A 123 48.213 4.629 -7.298 1.00 0.00 C ATOM 521 C ALA A 123 48.011 5.870 -6.432 1.00 0.00 C ATOM 522 O ALA A 123 46.884 6.219 -6.081 1.00 0.00 O ATOM 523 CB ALA A 123 48.023 3.383 -6.432 1.00 0.00 C ATOM 0 H ALA A 123 50.113 3.813 -7.677 1.00 0.00 H new ATOM 0 HA ALA A 123 47.479 4.633 -8.104 1.00 0.00 H new ATOM 0 HB1 ALA A 123 47.029 3.399 -5.984 1.00 0.00 H new ATOM 0 HB2 ALA A 123 48.128 2.491 -7.050 1.00 0.00 H new ATOM 0 HB3 ALA A 123 48.776 3.369 -5.644 1.00 0.00 H new ATOM 529 N THR A 124 49.111 6.534 -6.088 1.00 0.00 N ATOM 530 CA THR A 124 49.029 7.733 -5.258 1.00 0.00 C ATOM 531 C THR A 124 49.145 8.992 -6.115 1.00 0.00 C ATOM 532 O THR A 124 49.928 9.893 -5.817 1.00 0.00 O ATOM 533 CB THR A 124 50.141 7.737 -4.206 1.00 0.00 C ATOM 534 OG1 THR A 124 51.376 7.399 -4.821 1.00 0.00 O ATOM 535 CG2 THR A 124 49.816 6.716 -3.114 1.00 0.00 C ATOM 0 H THR A 124 50.056 6.268 -6.366 1.00 0.00 H new ATOM 0 HA THR A 124 48.060 7.726 -4.759 1.00 0.00 H new ATOM 0 HB THR A 124 50.217 8.729 -3.762 1.00 0.00 H new ATOM 0 HG1 THR A 124 51.336 7.616 -5.776 1.00 0.00 H new ATOM 0 HG21 THR A 124 50.608 6.719 -2.365 1.00 0.00 H new ATOM 0 HG22 THR A 124 48.869 6.977 -2.642 1.00 0.00 H new ATOM 0 HG23 THR A 124 49.739 5.723 -3.556 1.00 0.00 H new ATOM 543 N GLY A 125 48.348 9.044 -7.180 1.00 0.00 N ATOM 544 CA GLY A 125 48.360 10.199 -8.075 1.00 0.00 C ATOM 545 C GLY A 125 49.565 10.159 -9.010 1.00 0.00 C ATOM 546 O GLY A 125 49.839 11.118 -9.731 1.00 0.00 O ATOM 0 H GLY A 125 47.692 8.308 -7.443 1.00 0.00 H new ATOM 0 HA2 GLY A 125 47.442 10.218 -8.662 1.00 0.00 H new ATOM 0 HA3 GLY A 125 48.382 11.117 -7.488 1.00 0.00 H new ATOM 550 N GLU A 126 50.281 9.039 -8.991 1.00 0.00 N ATOM 551 CA GLU A 126 51.458 8.884 -9.843 1.00 0.00 C ATOM 552 C GLU A 126 52.230 10.195 -9.940 1.00 0.00 C ATOM 553 O GLU A 126 52.578 10.649 -11.030 1.00 0.00 O ATOM 554 CB GLU A 126 51.047 8.444 -11.251 1.00 0.00 C ATOM 555 CG GLU A 126 49.994 9.408 -11.801 1.00 0.00 C ATOM 556 CD GLU A 126 49.701 9.065 -13.258 1.00 0.00 C ATOM 557 OE1 GLU A 126 50.018 7.958 -13.661 1.00 0.00 O ATOM 558 OE2 GLU A 126 49.164 9.915 -13.949 1.00 0.00 O ATOM 0 H GLU A 126 50.071 8.233 -8.402 1.00 0.00 H new ATOM 0 HA GLU A 126 52.095 8.122 -9.394 1.00 0.00 H new ATOM 0 HB2 GLU A 126 51.918 8.427 -11.907 1.00 0.00 H new ATOM 0 HB3 GLU A 126 50.648 7.430 -11.225 1.00 0.00 H new ATOM 0 HG2 GLU A 126 49.081 9.341 -11.210 1.00 0.00 H new ATOM 0 HG3 GLU A 126 50.350 10.435 -11.723 1.00 0.00 H new ATOM 565 N THR A 127 52.500 10.796 -8.784 1.00 0.00 N ATOM 566 CA THR A 127 53.240 12.054 -8.746 1.00 0.00 C ATOM 567 C THR A 127 54.731 11.781 -8.581 1.00 0.00 C ATOM 568 O THR A 127 55.477 12.612 -8.063 1.00 0.00 O ATOM 569 CB THR A 127 52.760 12.926 -7.583 1.00 0.00 C ATOM 570 OG1 THR A 127 52.896 12.205 -6.366 1.00 0.00 O ATOM 571 CG2 THR A 127 51.293 13.301 -7.796 1.00 0.00 C ATOM 0 H THR A 127 52.221 10.437 -7.871 1.00 0.00 H new ATOM 0 HA THR A 127 53.064 12.579 -9.685 1.00 0.00 H new ATOM 0 HB THR A 127 53.361 13.834 -7.536 1.00 0.00 H new ATOM 0 HG1 THR A 127 52.591 12.762 -5.620 1.00 0.00 H new ATOM 0 HG21 THR A 127 50.952 13.922 -6.967 1.00 0.00 H new ATOM 0 HG22 THR A 127 51.191 13.854 -8.730 1.00 0.00 H new ATOM 0 HG23 THR A 127 50.689 12.395 -7.843 1.00 0.00 H new ATOM 579 N ILE A 128 55.155 10.602 -9.027 1.00 0.00 N ATOM 580 CA ILE A 128 56.560 10.220 -8.925 1.00 0.00 C ATOM 581 C ILE A 128 56.936 9.265 -10.054 1.00 0.00 C ATOM 582 O ILE A 128 56.146 8.411 -10.455 1.00 0.00 O ATOM 583 CB ILE A 128 56.830 9.539 -7.582 1.00 0.00 C ATOM 584 CG1 ILE A 128 56.311 10.429 -6.450 1.00 0.00 C ATOM 585 CG2 ILE A 128 58.335 9.325 -7.413 1.00 0.00 C ATOM 586 CD1 ILE A 128 56.764 9.863 -5.103 1.00 0.00 C ATOM 0 H ILE A 128 54.553 9.901 -9.458 1.00 0.00 H new ATOM 0 HA ILE A 128 57.163 11.125 -9.001 1.00 0.00 H new ATOM 0 HB ILE A 128 56.321 8.576 -7.552 1.00 0.00 H new ATOM 0 HG12 ILE A 128 56.685 11.446 -6.573 1.00 0.00 H new ATOM 0 HG13 ILE A 128 55.223 10.483 -6.486 1.00 0.00 H new ATOM 0 HG21 ILE A 128 58.528 8.840 -6.456 1.00 0.00 H new ATOM 0 HG22 ILE A 128 58.706 8.695 -8.221 1.00 0.00 H new ATOM 0 HG23 ILE A 128 58.845 10.288 -7.441 1.00 0.00 H new ATOM 0 HD11 ILE A 128 56.393 10.498 -4.298 1.00 0.00 H new ATOM 0 HD12 ILE A 128 56.369 8.855 -4.981 1.00 0.00 H new ATOM 0 HD13 ILE A 128 57.853 9.832 -5.069 1.00 0.00 H new ATOM 598 N THR A 129 58.155 9.422 -10.561 1.00 0.00 N ATOM 599 CA THR A 129 58.635 8.571 -11.647 1.00 0.00 C ATOM 600 C THR A 129 59.361 7.352 -11.088 1.00 0.00 C ATOM 601 O THR A 129 59.650 7.277 -9.894 1.00 0.00 O ATOM 602 CB THR A 129 59.591 9.348 -12.557 1.00 0.00 C ATOM 603 OG1 THR A 129 60.921 9.199 -12.080 1.00 0.00 O ATOM 604 CG2 THR A 129 59.210 10.830 -12.557 1.00 0.00 C ATOM 0 H THR A 129 58.824 10.123 -10.242 1.00 0.00 H new ATOM 0 HA THR A 129 57.770 8.245 -12.225 1.00 0.00 H new ATOM 0 HB THR A 129 59.522 8.959 -13.573 1.00 0.00 H new ATOM 0 HG1 THR A 129 61.511 8.958 -12.825 1.00 0.00 H new ATOM 0 HG21 THR A 129 59.892 11.381 -13.205 1.00 0.00 H new ATOM 0 HG22 THR A 129 58.190 10.943 -12.923 1.00 0.00 H new ATOM 0 HG23 THR A 129 59.277 11.223 -11.542 1.00 0.00 H new ATOM 612 N GLU A 130 59.653 6.397 -11.966 1.00 0.00 N ATOM 613 CA GLU A 130 60.345 5.181 -11.550 1.00 0.00 C ATOM 614 C GLU A 130 61.703 5.519 -10.943 1.00 0.00 C ATOM 615 O GLU A 130 62.288 4.720 -10.212 1.00 0.00 O ATOM 616 CB GLU A 130 60.553 4.246 -12.742 1.00 0.00 C ATOM 617 CG GLU A 130 60.719 2.811 -12.239 1.00 0.00 C ATOM 618 CD GLU A 130 61.748 2.085 -13.098 1.00 0.00 C ATOM 619 OE1 GLU A 130 61.373 1.598 -14.152 1.00 0.00 O ATOM 620 OE2 GLU A 130 62.896 2.027 -12.690 1.00 0.00 O ATOM 0 H GLU A 130 59.424 6.440 -12.959 1.00 0.00 H new ATOM 0 HA GLU A 130 59.726 4.684 -10.803 1.00 0.00 H new ATOM 0 HB2 GLU A 130 59.702 4.309 -13.421 1.00 0.00 H new ATOM 0 HB3 GLU A 130 61.434 4.549 -13.307 1.00 0.00 H new ATOM 0 HG2 GLU A 130 61.038 2.815 -11.197 1.00 0.00 H new ATOM 0 HG3 GLU A 130 59.763 2.288 -12.278 1.00 0.00 H new ATOM 627 N ASP A 131 62.199 6.713 -11.255 1.00 0.00 N ATOM 628 CA ASP A 131 63.493 7.149 -10.735 1.00 0.00 C ATOM 629 C ASP A 131 63.490 7.128 -9.210 1.00 0.00 C ATOM 630 O ASP A 131 64.543 7.144 -8.573 1.00 0.00 O ATOM 631 CB ASP A 131 63.815 8.567 -11.211 1.00 0.00 C ATOM 632 CG ASP A 131 64.022 8.563 -12.721 1.00 0.00 C ATOM 633 OD1 ASP A 131 63.045 8.723 -13.434 1.00 0.00 O ATOM 634 OD2 ASP A 131 65.156 8.402 -13.143 1.00 0.00 O ATOM 0 H ASP A 131 61.732 7.390 -11.858 1.00 0.00 H new ATOM 0 HA ASP A 131 64.251 6.461 -11.108 1.00 0.00 H new ATOM 0 HB2 ASP A 131 63.002 9.244 -10.947 1.00 0.00 H new ATOM 0 HB3 ASP A 131 64.711 8.935 -10.712 1.00 0.00 H new ATOM 639 N ASP A 132 62.293 7.096 -8.631 1.00 0.00 N ATOM 640 CA ASP A 132 62.163 7.077 -7.176 1.00 0.00 C ATOM 641 C ASP A 132 61.948 5.653 -6.668 1.00 0.00 C ATOM 642 O ASP A 132 61.910 5.411 -5.462 1.00 0.00 O ATOM 643 CB ASP A 132 60.986 7.947 -6.733 1.00 0.00 C ATOM 644 CG ASP A 132 61.507 9.139 -5.936 1.00 0.00 C ATOM 645 OD1 ASP A 132 62.571 9.630 -6.272 1.00 0.00 O ATOM 646 OD2 ASP A 132 60.834 9.542 -5.002 1.00 0.00 O ATOM 0 H ASP A 132 61.409 7.083 -9.139 1.00 0.00 H new ATOM 0 HA ASP A 132 63.088 7.472 -6.755 1.00 0.00 H new ATOM 0 HB2 ASP A 132 60.428 8.293 -7.603 1.00 0.00 H new ATOM 0 HB3 ASP A 132 60.296 7.362 -6.124 1.00 0.00 H new ATOM 651 N ILE A 133 61.809 4.713 -7.600 1.00 0.00 N ATOM 652 CA ILE A 133 61.601 3.315 -7.231 1.00 0.00 C ATOM 653 C ILE A 133 62.942 2.612 -7.037 1.00 0.00 C ATOM 654 O ILE A 133 63.291 2.205 -5.929 1.00 0.00 O ATOM 655 CB ILE A 133 60.800 2.590 -8.319 1.00 0.00 C ATOM 656 CG1 ILE A 133 59.338 3.039 -8.254 1.00 0.00 C ATOM 657 CG2 ILE A 133 60.874 1.077 -8.099 1.00 0.00 C ATOM 658 CD1 ILE A 133 58.583 2.502 -9.472 1.00 0.00 C ATOM 0 H ILE A 133 61.836 4.890 -8.604 1.00 0.00 H new ATOM 0 HA ILE A 133 61.042 3.288 -6.295 1.00 0.00 H new ATOM 0 HB ILE A 133 61.219 2.832 -9.296 1.00 0.00 H new ATOM 0 HG12 ILE A 133 58.875 2.675 -7.337 1.00 0.00 H new ATOM 0 HG13 ILE A 133 59.282 4.127 -8.229 1.00 0.00 H new ATOM 0 HG21 ILE A 133 60.303 0.568 -8.875 1.00 0.00 H new ATOM 0 HG22 ILE A 133 61.914 0.753 -8.143 1.00 0.00 H new ATOM 0 HG23 ILE A 133 60.458 0.831 -7.122 1.00 0.00 H new ATOM 0 HD11 ILE A 133 57.542 2.822 -9.425 1.00 0.00 H new ATOM 0 HD12 ILE A 133 59.041 2.888 -10.383 1.00 0.00 H new ATOM 0 HD13 ILE A 133 58.628 1.413 -9.477 1.00 0.00 H new ATOM 670 N GLU A 134 63.688 2.473 -8.130 1.00 0.00 N ATOM 671 CA GLU A 134 64.990 1.814 -8.075 1.00 0.00 C ATOM 672 C GLU A 134 65.877 2.460 -7.014 1.00 0.00 C ATOM 673 O GLU A 134 66.372 1.792 -6.107 1.00 0.00 O ATOM 674 CB GLU A 134 65.693 1.904 -9.430 1.00 0.00 C ATOM 675 CG GLU A 134 65.311 0.695 -10.286 1.00 0.00 C ATOM 676 CD GLU A 134 66.300 -0.438 -10.037 1.00 0.00 C ATOM 677 OE1 GLU A 134 67.481 -0.153 -9.922 1.00 0.00 O ATOM 678 OE2 GLU A 134 65.863 -1.575 -9.966 1.00 0.00 O ATOM 0 H GLU A 134 63.417 2.804 -9.056 1.00 0.00 H new ATOM 0 HA GLU A 134 64.823 0.768 -7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 134 65.410 2.826 -9.938 1.00 0.00 H new ATOM 0 HB3 GLU A 134 66.773 1.936 -9.289 1.00 0.00 H new ATOM 0 HG2 GLU A 134 64.300 0.369 -10.043 1.00 0.00 H new ATOM 0 HG3 GLU A 134 65.313 0.968 -11.341 1.00 0.00 H new ATOM 685 N GLU A 135 66.077 3.769 -7.143 1.00 0.00 N ATOM 686 CA GLU A 135 66.913 4.500 -6.193 1.00 0.00 C ATOM 687 C GLU A 135 66.475 4.214 -4.760 1.00 0.00 C ATOM 688 O GLU A 135 67.133 3.472 -4.031 1.00 0.00 O ATOM 689 CB GLU A 135 66.829 6.006 -6.452 1.00 0.00 C ATOM 690 CG GLU A 135 68.231 6.615 -6.379 1.00 0.00 C ATOM 691 CD GLU A 135 68.433 7.263 -5.014 1.00 0.00 C ATOM 692 OE1 GLU A 135 67.571 8.026 -4.609 1.00 0.00 O ATOM 693 OE2 GLU A 135 69.445 6.986 -4.392 1.00 0.00 O ATOM 0 H GLU A 135 65.677 4.341 -7.887 1.00 0.00 H new ATOM 0 HA GLU A 135 67.942 4.166 -6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 135 66.390 6.193 -7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 135 66.178 6.477 -5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 135 68.983 5.843 -6.542 1.00 0.00 H new ATOM 0 HG3 GLU A 135 68.359 7.356 -7.168 1.00 0.00 H new ATOM 700 N LEU A 136 65.355 4.812 -4.362 1.00 0.00 N ATOM 701 CA LEU A 136 64.840 4.615 -3.010 1.00 0.00 C ATOM 702 C LEU A 136 64.884 3.137 -2.636 1.00 0.00 C ATOM 703 O LEU A 136 65.374 2.765 -1.570 1.00 0.00 O ATOM 704 CB LEU A 136 63.397 5.113 -2.907 1.00 0.00 C ATOM 705 CG LEU A 136 63.234 5.946 -1.635 1.00 0.00 C ATOM 706 CD1 LEU A 136 62.156 7.008 -1.853 1.00 0.00 C ATOM 707 CD2 LEU A 136 62.822 5.033 -0.477 1.00 0.00 C ATOM 0 H LEU A 136 64.793 5.429 -4.948 1.00 0.00 H new ATOM 0 HA LEU A 136 65.468 5.184 -2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 136 63.145 5.712 -3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 136 62.710 4.267 -2.891 1.00 0.00 H new ATOM 0 HG LEU A 136 64.180 6.433 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 136 62.041 7.601 -0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 136 62.448 7.659 -2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 136 61.210 6.522 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 136 62.706 5.626 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 136 61.877 4.546 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 136 63.590 4.276 -0.319 1.00 0.00 H new ATOM 719 N MET A 137 64.364 2.299 -3.527 1.00 0.00 N ATOM 720 CA MET A 137 64.344 0.858 -3.287 1.00 0.00 C ATOM 721 C MET A 137 65.741 0.349 -2.943 1.00 0.00 C ATOM 722 O MET A 137 65.905 -0.541 -2.108 1.00 0.00 O ATOM 723 CB MET A 137 63.834 0.116 -4.525 1.00 0.00 C ATOM 724 CG MET A 137 64.042 -1.389 -4.346 1.00 0.00 C ATOM 725 SD MET A 137 63.132 -1.954 -2.886 1.00 0.00 S ATOM 726 CE MET A 137 63.118 -3.716 -3.298 1.00 0.00 C ATOM 0 H MET A 137 63.954 2.588 -4.415 1.00 0.00 H new ATOM 0 HA MET A 137 63.675 0.669 -2.448 1.00 0.00 H new ATOM 0 HB2 MET A 137 62.777 0.331 -4.680 1.00 0.00 H new ATOM 0 HB3 MET A 137 64.363 0.463 -5.413 1.00 0.00 H new ATOM 0 HG2 MET A 137 63.697 -1.923 -5.232 1.00 0.00 H new ATOM 0 HG3 MET A 137 65.104 -1.610 -4.234 1.00 0.00 H new ATOM 0 HE1 MET A 137 62.691 -4.280 -2.469 1.00 0.00 H new ATOM 0 HE2 MET A 137 62.517 -3.876 -4.193 1.00 0.00 H new ATOM 0 HE3 MET A 137 64.138 -4.055 -3.481 1.00 0.00 H new ATOM 736 N LYS A 138 66.746 0.921 -3.601 1.00 0.00 N ATOM 737 CA LYS A 138 68.129 0.513 -3.363 1.00 0.00 C ATOM 738 C LYS A 138 68.594 0.961 -1.980 1.00 0.00 C ATOM 739 O LYS A 138 69.615 0.495 -1.474 1.00 0.00 O ATOM 740 CB LYS A 138 69.055 1.119 -4.419 1.00 0.00 C ATOM 741 CG LYS A 138 68.997 0.273 -5.692 1.00 0.00 C ATOM 742 CD LYS A 138 70.312 -0.491 -5.860 1.00 0.00 C ATOM 743 CE LYS A 138 70.031 -1.865 -6.474 1.00 0.00 C ATOM 744 NZ LYS A 138 70.865 -2.044 -7.697 1.00 0.00 N ATOM 0 H LYS A 138 66.632 1.660 -4.295 1.00 0.00 H new ATOM 0 HA LYS A 138 68.170 -0.575 -3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 138 68.755 2.144 -4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 138 70.077 1.159 -4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 138 68.163 -0.426 -5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 138 68.823 0.912 -6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 138 70.993 0.072 -6.499 1.00 0.00 H new ATOM 0 HD3 LYS A 138 70.804 -0.606 -4.894 1.00 0.00 H new ATOM 0 HE2 LYS A 138 70.253 -2.650 -5.751 1.00 0.00 H new ATOM 0 HE3 LYS A 138 68.974 -1.953 -6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 70.674 -2.977 -8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 70.632 -1.302 -8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 71.871 -1.977 -7.444 1.00 0.00 H new ATOM 758 N ASP A 139 67.837 1.872 -1.377 1.00 0.00 N ATOM 759 CA ASP A 139 68.185 2.377 -0.051 1.00 0.00 C ATOM 760 C ASP A 139 67.681 1.431 1.035 1.00 0.00 C ATOM 761 O ASP A 139 68.457 0.702 1.652 1.00 0.00 O ATOM 762 CB ASP A 139 67.577 3.763 0.171 1.00 0.00 C ATOM 763 CG ASP A 139 68.244 4.767 -0.763 1.00 0.00 C ATOM 764 OD1 ASP A 139 69.348 5.188 -0.457 1.00 0.00 O ATOM 765 OD2 ASP A 139 67.642 5.099 -1.771 1.00 0.00 O ATOM 0 H ASP A 139 66.989 2.272 -1.778 1.00 0.00 H new ATOM 0 HA ASP A 139 69.271 2.444 0.006 1.00 0.00 H new ATOM 0 HB2 ASP A 139 66.503 3.735 -0.015 1.00 0.00 H new ATOM 0 HB3 ASP A 139 67.713 4.069 1.208 1.00 0.00 H new ATOM 770 N GLY A 140 66.371 1.454 1.263 1.00 0.00 N ATOM 771 CA GLY A 140 65.768 0.596 2.281 1.00 0.00 C ATOM 772 C GLY A 140 66.202 -0.856 2.099 1.00 0.00 C ATOM 773 O GLY A 140 66.141 -1.657 3.031 1.00 0.00 O ATOM 0 H GLY A 140 65.712 2.050 0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 140 66.057 0.944 3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 140 64.682 0.665 2.223 1.00 0.00 H new ATOM 777 N ASP A 141 66.641 -1.184 0.887 1.00 0.00 N ATOM 778 CA ASP A 141 67.085 -2.543 0.590 1.00 0.00 C ATOM 779 C ASP A 141 68.608 -2.619 0.608 1.00 0.00 C ATOM 780 O ASP A 141 69.232 -3.133 -0.320 1.00 0.00 O ATOM 781 CB ASP A 141 66.578 -2.984 -0.784 1.00 0.00 C ATOM 782 CG ASP A 141 67.022 -4.416 -1.057 1.00 0.00 C ATOM 783 OD1 ASP A 141 66.996 -5.210 -0.131 1.00 0.00 O ATOM 784 OD2 ASP A 141 67.383 -4.699 -2.187 1.00 0.00 O ATOM 0 H ASP A 141 66.699 -0.535 0.102 1.00 0.00 H new ATOM 0 HA ASP A 141 66.679 -3.206 1.354 1.00 0.00 H new ATOM 0 HB2 ASP A 141 65.491 -2.916 -0.821 1.00 0.00 H new ATOM 0 HB3 ASP A 141 66.965 -2.319 -1.556 1.00 0.00 H new ATOM 789 N LYS A 142 69.198 -2.094 1.678 1.00 0.00 N ATOM 790 CA LYS A 142 70.652 -2.097 1.818 1.00 0.00 C ATOM 791 C LYS A 142 71.191 -3.525 1.850 1.00 0.00 C ATOM 792 O LYS A 142 72.313 -3.788 1.417 1.00 0.00 O ATOM 793 CB LYS A 142 71.062 -1.381 3.107 1.00 0.00 C ATOM 794 CG LYS A 142 72.476 -0.816 2.952 1.00 0.00 C ATOM 795 CD LYS A 142 72.424 0.711 3.015 1.00 0.00 C ATOM 796 CE LYS A 142 73.240 1.201 4.212 1.00 0.00 C ATOM 797 NZ LYS A 142 72.663 0.643 5.468 1.00 0.00 N ATOM 0 H LYS A 142 68.697 -1.664 2.456 1.00 0.00 H new ATOM 0 HA LYS A 142 71.072 -1.575 0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 142 70.360 -0.577 3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 142 71.026 -2.074 3.947 1.00 0.00 H new ATOM 0 HG2 LYS A 142 73.122 -1.201 3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 142 72.906 -1.137 2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 142 72.819 1.137 2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 142 71.391 1.047 3.104 1.00 0.00 H new ATOM 0 HE2 LYS A 142 74.280 0.892 4.108 1.00 0.00 H new ATOM 0 HE3 LYS A 142 73.234 2.290 4.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 72.802 1.320 6.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 71.646 0.472 5.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 73.138 -0.253 5.700 1.00 0.00 H new ATOM 811 N ASN A 143 70.381 -4.443 2.370 1.00 0.00 N ATOM 812 CA ASN A 143 70.790 -5.844 2.456 1.00 0.00 C ATOM 813 C ASN A 143 71.058 -6.412 1.066 1.00 0.00 C ATOM 814 O ASN A 143 71.663 -7.474 0.919 1.00 0.00 O ATOM 815 CB ASN A 143 69.706 -6.681 3.139 1.00 0.00 C ATOM 816 CG ASN A 143 68.434 -6.661 2.298 1.00 0.00 C ATOM 817 OD1 ASN A 143 68.492 -6.538 1.074 1.00 0.00 O ATOM 818 ND2 ASN A 143 67.276 -6.777 2.887 1.00 0.00 N ATOM 0 H ASN A 143 69.449 -4.247 2.734 1.00 0.00 H new ATOM 0 HA ASN A 143 71.705 -5.888 3.046 1.00 0.00 H new ATOM 0 HB2 ASN A 143 70.052 -7.707 3.268 1.00 0.00 H new ATOM 0 HB3 ASN A 143 69.502 -6.286 4.134 1.00 0.00 H new ATOM 0 HD21 ASN A 143 66.419 -6.766 2.334 1.00 0.00 H new ATOM 0 HD22 ASN A 143 67.227 -6.879 3.901 1.00 0.00 H new ATOM 825 N ASN A 144 70.600 -5.692 0.046 1.00 0.00 N ATOM 826 CA ASN A 144 70.794 -6.132 -1.334 1.00 0.00 C ATOM 827 C ASN A 144 70.055 -7.442 -1.587 1.00 0.00 C ATOM 828 O ASN A 144 70.643 -8.427 -2.033 1.00 0.00 O ATOM 829 CB ASN A 144 72.282 -6.336 -1.626 1.00 0.00 C ATOM 830 CG ASN A 144 72.460 -6.785 -3.073 1.00 0.00 C ATOM 831 OD1 ASN A 144 71.639 -6.468 -3.933 1.00 0.00 O ATOM 832 ND2 ASN A 144 73.496 -7.511 -3.395 1.00 0.00 N ATOM 0 H ASN A 144 70.097 -4.810 0.146 1.00 0.00 H new ATOM 0 HA ASN A 144 70.397 -5.359 -1.991 1.00 0.00 H new ATOM 0 HB2 ASN A 144 72.828 -5.409 -1.452 1.00 0.00 H new ATOM 0 HB3 ASN A 144 72.697 -7.082 -0.949 1.00 0.00 H new ATOM 0 HD21 ASN A 144 73.625 -7.816 -4.360 1.00 0.00 H new ATOM 0 HD22 ASN A 144 74.176 -7.774 -2.682 1.00 0.00 H new ATOM 839 N ASP A 145 68.758 -7.442 -1.293 1.00 0.00 N ATOM 840 CA ASP A 145 67.943 -8.639 -1.489 1.00 0.00 C ATOM 841 C ASP A 145 66.777 -8.351 -2.432 1.00 0.00 C ATOM 842 O ASP A 145 66.090 -9.265 -2.888 1.00 0.00 O ATOM 843 CB ASP A 145 67.388 -9.132 -0.152 1.00 0.00 C ATOM 844 CG ASP A 145 68.482 -9.868 0.614 1.00 0.00 C ATOM 845 OD1 ASP A 145 68.604 -11.067 0.426 1.00 0.00 O ATOM 846 OD2 ASP A 145 69.181 -9.222 1.376 1.00 0.00 O ATOM 0 H ASP A 145 68.252 -6.637 -0.922 1.00 0.00 H new ATOM 0 HA ASP A 145 68.580 -9.407 -1.927 1.00 0.00 H new ATOM 0 HB2 ASP A 145 67.023 -8.289 0.435 1.00 0.00 H new ATOM 0 HB3 ASP A 145 66.539 -9.795 -0.321 1.00 0.00 H new ATOM 851 N GLY A 146 66.558 -7.070 -2.718 1.00 0.00 N ATOM 852 CA GLY A 146 65.469 -6.674 -3.606 1.00 0.00 C ATOM 853 C GLY A 146 64.162 -6.539 -2.831 1.00 0.00 C ATOM 854 O GLY A 146 63.083 -6.450 -3.417 1.00 0.00 O ATOM 0 H GLY A 146 67.113 -6.296 -2.352 1.00 0.00 H new ATOM 0 HA2 GLY A 146 65.712 -5.726 -4.087 1.00 0.00 H new ATOM 0 HA3 GLY A 146 65.353 -7.413 -4.399 1.00 0.00 H new ATOM 858 N ARG A 147 64.271 -6.524 -1.505 1.00 0.00 N ATOM 859 CA ARG A 147 63.092 -6.399 -0.653 1.00 0.00 C ATOM 860 C ARG A 147 63.450 -5.685 0.646 1.00 0.00 C ATOM 861 O ARG A 147 64.599 -5.301 0.864 1.00 0.00 O ATOM 862 CB ARG A 147 62.521 -7.779 -0.323 1.00 0.00 C ATOM 863 CG ARG A 147 63.530 -8.560 0.522 1.00 0.00 C ATOM 864 CD ARG A 147 63.089 -10.021 0.624 1.00 0.00 C ATOM 865 NE ARG A 147 64.241 -10.893 0.841 1.00 0.00 N ATOM 866 CZ ARG A 147 64.086 -12.126 1.316 1.00 0.00 C ATOM 867 NH1 ARG A 147 62.893 -12.571 1.598 1.00 0.00 N ATOM 868 NH2 ARG A 147 65.128 -12.890 1.499 1.00 0.00 N ATOM 0 H ARG A 147 65.155 -6.596 -1.001 1.00 0.00 H new ATOM 0 HA ARG A 147 62.345 -5.818 -1.194 1.00 0.00 H new ATOM 0 HB2 ARG A 147 61.580 -7.675 0.218 1.00 0.00 H new ATOM 0 HB3 ARG A 147 62.302 -8.323 -1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 147 64.521 -8.499 0.072 1.00 0.00 H new ATOM 0 HG3 ARG A 147 63.604 -8.121 1.517 1.00 0.00 H new ATOM 0 HD2 ARG A 147 62.380 -10.136 1.444 1.00 0.00 H new ATOM 0 HD3 ARG A 147 62.571 -10.315 -0.289 1.00 0.00 H new ATOM 0 HE ARG A 147 65.178 -10.552 0.625 1.00 0.00 H new ATOM 0 HH11 ARG A 147 62.079 -11.974 1.454 1.00 0.00 H new ATOM 0 HH12 ARG A 147 62.774 -13.516 1.962 1.00 0.00 H new ATOM 0 HH21 ARG A 147 66.061 -12.542 1.278 1.00 0.00 H new ATOM 0 HH22 ARG A 147 65.010 -13.835 1.863 1.00 0.00 H new ATOM 882 N ILE A 148 62.451 -5.511 1.507 1.00 0.00 N ATOM 883 CA ILE A 148 62.671 -4.839 2.785 1.00 0.00 C ATOM 884 C ILE A 148 62.390 -5.791 3.943 1.00 0.00 C ATOM 885 O ILE A 148 61.574 -6.706 3.831 1.00 0.00 O ATOM 886 CB ILE A 148 61.762 -3.614 2.917 1.00 0.00 C ATOM 887 CG1 ILE A 148 61.418 -3.073 1.526 1.00 0.00 C ATOM 888 CG2 ILE A 148 62.483 -2.529 3.718 1.00 0.00 C ATOM 889 CD1 ILE A 148 62.700 -2.634 0.816 1.00 0.00 C ATOM 0 H ILE A 148 61.493 -5.821 1.347 1.00 0.00 H new ATOM 0 HA ILE A 148 63.713 -4.520 2.818 1.00 0.00 H new ATOM 0 HB ILE A 148 60.844 -3.901 3.431 1.00 0.00 H new ATOM 0 HG12 ILE A 148 60.911 -3.840 0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 148 60.731 -2.231 1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 148 61.837 -1.656 3.812 1.00 0.00 H new ATOM 0 HG22 ILE A 148 62.726 -2.910 4.710 1.00 0.00 H new ATOM 0 HG23 ILE A 148 63.401 -2.246 3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 148 62.454 -2.249 -0.174 1.00 0.00 H new ATOM 0 HD12 ILE A 148 63.189 -1.853 1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 148 63.372 -3.487 0.717 1.00 0.00 H new ATOM 901 N ASP A 149 63.078 -5.565 5.060 1.00 0.00 N ATOM 902 CA ASP A 149 62.897 -6.408 6.238 1.00 0.00 C ATOM 903 C ASP A 149 62.415 -5.575 7.423 1.00 0.00 C ATOM 904 O ASP A 149 62.644 -4.368 7.487 1.00 0.00 O ATOM 905 CB ASP A 149 64.212 -7.095 6.614 1.00 0.00 C ATOM 906 CG ASP A 149 65.012 -7.390 5.350 1.00 0.00 C ATOM 907 OD1 ASP A 149 64.396 -7.665 4.334 1.00 0.00 O ATOM 908 OD2 ASP A 149 66.229 -7.336 5.417 1.00 0.00 O ATOM 0 H ASP A 149 63.759 -4.814 5.174 1.00 0.00 H new ATOM 0 HA ASP A 149 62.149 -7.164 5.997 1.00 0.00 H new ATOM 0 HB2 ASP A 149 64.790 -6.456 7.282 1.00 0.00 H new ATOM 0 HB3 ASP A 149 64.010 -8.020 7.153 1.00 0.00 H new ATOM 913 N TYR A 150 61.744 -6.238 8.360 1.00 0.00 N ATOM 914 CA TYR A 150 61.228 -5.556 9.545 1.00 0.00 C ATOM 915 C TYR A 150 62.298 -4.655 10.154 1.00 0.00 C ATOM 916 O TYR A 150 61.994 -3.631 10.766 1.00 0.00 O ATOM 917 CB TYR A 150 60.785 -6.575 10.596 1.00 0.00 C ATOM 918 CG TYR A 150 59.287 -6.503 10.771 1.00 0.00 C ATOM 919 CD1 TYR A 150 58.699 -5.351 11.307 1.00 0.00 C ATOM 920 CD2 TYR A 150 58.486 -7.589 10.399 1.00 0.00 C ATOM 921 CE1 TYR A 150 57.311 -5.285 11.471 1.00 0.00 C ATOM 922 CE2 TYR A 150 57.098 -7.523 10.562 1.00 0.00 C ATOM 923 CZ TYR A 150 56.510 -6.371 11.098 1.00 0.00 C ATOM 924 OH TYR A 150 55.141 -6.307 11.260 1.00 0.00 O ATOM 0 H TYR A 150 61.545 -7.238 8.324 1.00 0.00 H new ATOM 0 HA TYR A 150 60.375 -4.951 9.238 1.00 0.00 H new ATOM 0 HB2 TYR A 150 61.078 -7.579 10.290 1.00 0.00 H new ATOM 0 HB3 TYR A 150 61.282 -6.374 11.545 1.00 0.00 H new ATOM 0 HD1 TYR A 150 59.317 -4.513 11.594 1.00 0.00 H new ATOM 0 HD2 TYR A 150 58.939 -8.478 9.986 1.00 0.00 H new ATOM 0 HE1 TYR A 150 56.858 -4.397 11.885 1.00 0.00 H new ATOM 0 HE2 TYR A 150 56.480 -8.361 10.274 1.00 0.00 H new ATOM 0 HH TYR A 150 54.735 -7.144 10.950 1.00 0.00 H new ATOM 934 N ASP A 151 63.556 -5.051 9.983 1.00 0.00 N ATOM 935 CA ASP A 151 64.670 -4.275 10.524 1.00 0.00 C ATOM 936 C ASP A 151 64.931 -3.040 9.667 1.00 0.00 C ATOM 937 O ASP A 151 64.732 -1.908 10.108 1.00 0.00 O ATOM 938 CB ASP A 151 65.940 -5.127 10.569 1.00 0.00 C ATOM 939 CG ASP A 151 66.286 -5.449 12.018 1.00 0.00 C ATOM 940 OD1 ASP A 151 65.848 -4.715 12.888 1.00 0.00 O ATOM 941 OD2 ASP A 151 66.985 -6.425 12.237 1.00 0.00 O ATOM 0 H ASP A 151 63.829 -5.895 9.480 1.00 0.00 H new ATOM 0 HA ASP A 151 64.403 -3.964 11.534 1.00 0.00 H new ATOM 0 HB2 ASP A 151 65.792 -6.049 10.006 1.00 0.00 H new ATOM 0 HB3 ASP A 151 66.765 -4.594 10.097 1.00 0.00 H new ATOM 946 N GLU A 152 65.383 -3.272 8.438 1.00 0.00 N ATOM 947 CA GLU A 152 65.676 -2.175 7.522 1.00 0.00 C ATOM 948 C GLU A 152 64.462 -1.263 7.368 1.00 0.00 C ATOM 949 O GLU A 152 64.597 -0.062 7.133 1.00 0.00 O ATOM 950 CB GLU A 152 66.065 -2.724 6.149 1.00 0.00 C ATOM 951 CG GLU A 152 67.366 -3.521 6.266 1.00 0.00 C ATOM 952 CD GLU A 152 67.654 -4.224 4.944 1.00 0.00 C ATOM 953 OE1 GLU A 152 67.968 -3.536 3.986 1.00 0.00 O ATOM 954 OE2 GLU A 152 67.556 -5.439 4.908 1.00 0.00 O ATOM 0 H GLU A 152 65.553 -4.202 8.056 1.00 0.00 H new ATOM 0 HA GLU A 152 66.505 -1.601 7.937 1.00 0.00 H new ATOM 0 HB2 GLU A 152 65.270 -3.361 5.762 1.00 0.00 H new ATOM 0 HB3 GLU A 152 66.191 -1.905 5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 152 68.190 -2.856 6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 152 67.285 -4.253 7.069 1.00 0.00 H new ATOM 961 N PHE A 153 63.275 -1.846 7.497 1.00 0.00 N ATOM 962 CA PHE A 153 62.040 -1.077 7.365 1.00 0.00 C ATOM 963 C PHE A 153 61.818 -0.195 8.592 1.00 0.00 C ATOM 964 O PHE A 153 61.346 0.936 8.483 1.00 0.00 O ATOM 965 CB PHE A 153 60.842 -2.014 7.203 1.00 0.00 C ATOM 966 CG PHE A 153 59.603 -1.203 6.910 1.00 0.00 C ATOM 967 CD1 PHE A 153 58.944 -0.533 7.948 1.00 0.00 C ATOM 968 CD2 PHE A 153 59.113 -1.120 5.602 1.00 0.00 C ATOM 969 CE1 PHE A 153 57.795 0.220 7.678 1.00 0.00 C ATOM 970 CE2 PHE A 153 57.964 -0.367 5.331 1.00 0.00 C ATOM 971 CZ PHE A 153 57.305 0.303 6.369 1.00 0.00 C ATOM 0 H PHE A 153 63.141 -2.838 7.691 1.00 0.00 H new ATOM 0 HA PHE A 153 62.133 -0.447 6.481 1.00 0.00 H new ATOM 0 HB2 PHE A 153 61.027 -2.721 6.394 1.00 0.00 H new ATOM 0 HB3 PHE A 153 60.700 -2.600 8.111 1.00 0.00 H new ATOM 0 HD1 PHE A 153 59.322 -0.597 8.958 1.00 0.00 H new ATOM 0 HD2 PHE A 153 59.621 -1.637 4.801 1.00 0.00 H new ATOM 0 HE1 PHE A 153 57.287 0.737 8.479 1.00 0.00 H new ATOM 0 HE2 PHE A 153 57.586 -0.303 4.321 1.00 0.00 H new ATOM 0 HZ PHE A 153 56.419 0.884 6.160 1.00 0.00 H new ATOM 981 N LEU A 154 62.159 -0.728 9.760 1.00 0.00 N ATOM 982 CA LEU A 154 61.988 0.014 11.008 1.00 0.00 C ATOM 983 C LEU A 154 62.992 1.159 11.103 1.00 0.00 C ATOM 984 O LEU A 154 62.656 2.267 11.521 1.00 0.00 O ATOM 985 CB LEU A 154 62.184 -0.911 12.209 1.00 0.00 C ATOM 986 CG LEU A 154 60.889 -1.675 12.486 1.00 0.00 C ATOM 987 CD1 LEU A 154 61.213 -2.976 13.223 1.00 0.00 C ATOM 988 CD2 LEU A 154 59.967 -0.815 13.353 1.00 0.00 C ATOM 0 H LEU A 154 62.552 -1.663 9.871 1.00 0.00 H new ATOM 0 HA LEU A 154 60.976 0.420 11.014 1.00 0.00 H new ATOM 0 HB2 LEU A 154 62.996 -1.611 12.013 1.00 0.00 H new ATOM 0 HB3 LEU A 154 62.469 -0.330 13.086 1.00 0.00 H new ATOM 0 HG LEU A 154 60.393 -1.905 11.543 1.00 0.00 H new ATOM 0 HD11 LEU A 154 60.290 -3.521 13.421 1.00 0.00 H new ATOM 0 HD12 LEU A 154 61.872 -3.589 12.607 1.00 0.00 H new ATOM 0 HD13 LEU A 154 61.708 -2.746 14.166 1.00 0.00 H new ATOM 0 HD21 LEU A 154 59.043 -1.358 13.551 1.00 0.00 H new ATOM 0 HD22 LEU A 154 60.463 -0.586 14.296 1.00 0.00 H new ATOM 0 HD23 LEU A 154 59.737 0.113 12.830 1.00 0.00 H new ATOM 1000 N GLU A 155 64.234 0.874 10.722 1.00 0.00 N ATOM 1001 CA GLU A 155 65.291 1.880 10.780 1.00 0.00 C ATOM 1002 C GLU A 155 65.151 2.892 9.645 1.00 0.00 C ATOM 1003 O GLU A 155 65.621 4.025 9.748 1.00 0.00 O ATOM 1004 CB GLU A 155 66.664 1.212 10.679 1.00 0.00 C ATOM 1005 CG GLU A 155 66.642 0.171 9.559 1.00 0.00 C ATOM 1006 CD GLU A 155 67.907 0.299 8.719 1.00 0.00 C ATOM 1007 OE1 GLU A 155 68.932 0.656 9.277 1.00 0.00 O ATOM 1008 OE2 GLU A 155 67.833 0.039 7.529 1.00 0.00 O ATOM 0 H GLU A 155 64.532 -0.037 10.373 1.00 0.00 H new ATOM 0 HA GLU A 155 65.199 2.400 11.734 1.00 0.00 H new ATOM 0 HB2 GLU A 155 67.431 1.960 10.480 1.00 0.00 H new ATOM 0 HB3 GLU A 155 66.920 0.738 11.626 1.00 0.00 H new ATOM 0 HG2 GLU A 155 66.574 -0.831 9.982 1.00 0.00 H new ATOM 0 HG3 GLU A 155 65.761 0.314 8.933 1.00 0.00 H new ATOM 1015 N PHE A 156 64.507 2.474 8.559 1.00 0.00 N ATOM 1016 CA PHE A 156 64.324 3.361 7.413 1.00 0.00 C ATOM 1017 C PHE A 156 63.157 4.314 7.647 1.00 0.00 C ATOM 1018 O PHE A 156 63.240 5.505 7.344 1.00 0.00 O ATOM 1019 CB PHE A 156 64.060 2.555 6.141 1.00 0.00 C ATOM 1020 CG PHE A 156 64.034 3.489 4.954 1.00 0.00 C ATOM 1021 CD1 PHE A 156 65.216 3.772 4.259 1.00 0.00 C ATOM 1022 CD2 PHE A 156 62.828 4.074 4.551 1.00 0.00 C ATOM 1023 CE1 PHE A 156 65.192 4.640 3.161 1.00 0.00 C ATOM 1024 CE2 PHE A 156 62.804 4.942 3.452 1.00 0.00 C ATOM 1025 CZ PHE A 156 63.986 5.225 2.757 1.00 0.00 C ATOM 0 H PHE A 156 64.108 1.542 8.448 1.00 0.00 H new ATOM 0 HA PHE A 156 65.242 3.936 7.293 1.00 0.00 H new ATOM 0 HB2 PHE A 156 64.835 1.800 6.008 1.00 0.00 H new ATOM 0 HB3 PHE A 156 63.111 2.026 6.223 1.00 0.00 H new ATOM 0 HD1 PHE A 156 66.146 3.321 4.570 1.00 0.00 H new ATOM 0 HD2 PHE A 156 61.916 3.856 5.087 1.00 0.00 H new ATOM 0 HE1 PHE A 156 66.104 4.858 2.625 1.00 0.00 H new ATOM 0 HE2 PHE A 156 61.873 5.393 3.141 1.00 0.00 H new ATOM 0 HZ PHE A 156 63.967 5.894 1.910 1.00 0.00 H new ATOM 1035 N MET A 157 62.066 3.779 8.187 1.00 0.00 N ATOM 1036 CA MET A 157 60.886 4.596 8.453 1.00 0.00 C ATOM 1037 C MET A 157 60.396 4.379 9.881 1.00 0.00 C ATOM 1038 O MET A 157 59.384 3.719 10.113 1.00 0.00 O ATOM 1039 CB MET A 157 59.760 4.247 7.478 1.00 0.00 C ATOM 1040 CG MET A 157 59.354 2.784 7.667 1.00 0.00 C ATOM 1041 SD MET A 157 59.863 1.825 6.219 1.00 0.00 S ATOM 1042 CE MET A 157 58.680 2.535 5.048 1.00 0.00 C ATOM 0 H MET A 157 61.974 2.797 8.446 1.00 0.00 H new ATOM 0 HA MET A 157 61.166 5.641 8.322 1.00 0.00 H new ATOM 0 HB2 MET A 157 58.903 4.898 7.649 1.00 0.00 H new ATOM 0 HB3 MET A 157 60.088 4.414 6.452 1.00 0.00 H new ATOM 0 HG2 MET A 157 59.819 2.380 8.566 1.00 0.00 H new ATOM 0 HG3 MET A 157 58.275 2.710 7.805 1.00 0.00 H new ATOM 0 HE1 MET A 157 58.469 1.812 4.260 1.00 0.00 H new ATOM 0 HE2 MET A 157 57.756 2.783 5.570 1.00 0.00 H new ATOM 0 HE3 MET A 157 59.102 3.438 4.607 1.00 0.00 H new ATOM 1052 N LYS A 158 61.129 4.948 10.834 1.00 0.00 N ATOM 1053 CA LYS A 158 60.765 4.819 12.241 1.00 0.00 C ATOM 1054 C LYS A 158 59.437 5.518 12.508 1.00 0.00 C ATOM 1055 O LYS A 158 59.400 6.641 13.011 1.00 0.00 O ATOM 1056 CB LYS A 158 61.841 5.441 13.131 1.00 0.00 C ATOM 1057 CG LYS A 158 62.034 6.909 12.745 1.00 0.00 C ATOM 1058 CD LYS A 158 63.505 7.294 12.913 1.00 0.00 C ATOM 1059 CE LYS A 158 63.866 7.286 14.399 1.00 0.00 C ATOM 1060 NZ LYS A 158 63.531 8.609 14.997 1.00 0.00 N ATOM 0 H LYS A 158 61.970 5.498 10.660 1.00 0.00 H new ATOM 0 HA LYS A 158 60.674 3.758 12.471 1.00 0.00 H new ATOM 0 HB2 LYS A 158 61.551 5.364 14.179 1.00 0.00 H new ATOM 0 HB3 LYS A 158 62.779 4.898 13.019 1.00 0.00 H new ATOM 0 HG2 LYS A 158 61.721 7.068 11.713 1.00 0.00 H new ATOM 0 HG3 LYS A 158 61.407 7.545 13.370 1.00 0.00 H new ATOM 0 HD2 LYS A 158 64.140 6.594 12.370 1.00 0.00 H new ATOM 0 HD3 LYS A 158 63.684 8.282 12.489 1.00 0.00 H new ATOM 0 HE2 LYS A 158 63.321 6.494 14.913 1.00 0.00 H new ATOM 0 HE3 LYS A 158 64.928 7.076 14.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 63.776 8.605 16.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 64.070 9.355 14.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 62.513 8.791 14.888 1.00 0.00 H new ATOM 1074 N GLY A 159 58.346 4.842 12.161 1.00 0.00 N ATOM 1075 CA GLY A 159 57.016 5.410 12.362 1.00 0.00 C ATOM 1076 C GLY A 159 56.897 6.756 11.658 1.00 0.00 C ATOM 1077 O GLY A 159 56.627 7.781 12.285 1.00 0.00 O ATOM 0 H GLY A 159 58.354 3.911 11.744 1.00 0.00 H new ATOM 0 HA2 GLY A 159 56.260 4.725 11.979 1.00 0.00 H new ATOM 0 HA3 GLY A 159 56.824 5.533 13.428 1.00 0.00 H new ATOM 1081 N VAL A 160 57.107 6.741 10.345 1.00 0.00 N ATOM 1082 CA VAL A 160 57.028 7.966 9.554 1.00 0.00 C ATOM 1083 C VAL A 160 55.590 8.470 9.486 1.00 0.00 C ATOM 1084 O VAL A 160 55.249 9.499 10.070 1.00 0.00 O ATOM 1085 CB VAL A 160 57.534 7.716 8.132 1.00 0.00 C ATOM 1086 CG1 VAL A 160 57.243 8.940 7.261 1.00 0.00 C ATOM 1087 CG2 VAL A 160 59.042 7.461 8.166 1.00 0.00 C ATOM 0 H VAL A 160 57.331 5.902 9.810 1.00 0.00 H new ATOM 0 HA VAL A 160 57.652 8.717 10.038 1.00 0.00 H new ATOM 0 HB VAL A 160 57.027 6.846 7.714 1.00 0.00 H new ATOM 0 HG11 VAL A 160 57.604 8.760 6.248 1.00 0.00 H new ATOM 0 HG12 VAL A 160 56.169 9.122 7.236 1.00 0.00 H new ATOM 0 HG13 VAL A 160 57.749 9.811 7.677 1.00 0.00 H new ATOM 0 HG21 VAL A 160 59.404 7.283 7.153 1.00 0.00 H new ATOM 0 HG22 VAL A 160 59.549 8.331 8.585 1.00 0.00 H new ATOM 0 HG23 VAL A 160 59.249 6.588 8.784 1.00 0.00 H new ATOM 1097 N GLU A 161 54.752 7.735 8.761 1.00 0.00 N ATOM 1098 CA GLU A 161 53.349 8.116 8.614 1.00 0.00 C ATOM 1099 C GLU A 161 52.446 7.103 9.309 1.00 0.00 C ATOM 1100 O GLU A 161 51.382 6.826 8.780 1.00 0.00 O ATOM 1101 CB GLU A 161 52.970 8.191 7.134 1.00 0.00 C ATOM 1102 CG GLU A 161 52.687 9.645 6.752 1.00 0.00 C ATOM 1103 CD GLU A 161 53.807 10.163 5.856 1.00 0.00 C ATOM 1104 OE1 GLU A 161 54.949 10.119 6.283 1.00 0.00 O ATOM 1105 OE2 GLU A 161 53.506 10.596 4.756 1.00 0.00 O ATOM 1106 OXT GLU A 161 52.830 6.618 10.360 1.00 0.00 O ATOM 0 H GLU A 161 55.015 6.880 8.270 1.00 0.00 H new ATOM 0 HA GLU A 161 53.215 9.095 9.074 1.00 0.00 H new ATOM 0 HB2 GLU A 161 53.778 7.793 6.520 1.00 0.00 H new ATOM 0 HB3 GLU A 161 52.091 7.576 6.941 1.00 0.00 H new ATOM 0 HG2 GLU A 161 51.730 9.717 6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 161 52.611 10.260 7.649 1.00 0.00 H new TER 1113 GLU A 161 HETATM 1114 CA CA A 2 55.075 -7.211 -0.092 1.00 0.00 CA HETATM 1115 CA CA A 3 66.521 -4.685 2.532 1.00 0.00 CA HETATM 1116 S1 EMD A 1 61.782 0.164 1.657 1.00 0.00 S HETATM 1117 C2 EMD A 1 63.020 0.590 0.451 1.00 0.00 C HETATM 1118 O2 EMD A 1 64.039 -0.091 0.341 1.00 0.00 O HETATM 1119 N3 EMD A 1 62.777 1.574 -0.407 1.00 0.00 N HETATM 1120 N4 EMD A 1 61.603 2.293 -0.464 1.00 0.00 N HETATM 1121 C5 EMD A 1 60.475 2.193 0.155 1.00 0.00 C HETATM 1122 C6 EMD A 1 60.271 0.982 1.091 1.00 0.00 C HETATM 1123 C7 EMD A 1 59.406 -0.071 0.396 1.00 0.00 C HETATM 1124 C8 EMD A 1 59.507 3.428 0.197 1.00 0.00 C HETATM 1125 C9 EMD A 1 58.982 3.861 1.423 1.00 0.00 C HETATM 1126 C10 EMD A 1 58.117 4.967 1.470 1.00 0.00 C HETATM 1127 C11 EMD A 1 57.780 5.632 0.266 1.00 0.00 C HETATM 1128 C12 EMD A 1 58.306 5.194 -0.956 1.00 0.00 C HETATM 1129 C13 EMD A 1 59.171 4.093 -0.990 1.00 0.00 C HETATM 1130 N14 EMD A 1 56.833 6.824 0.332 1.00 0.00 N HETATM 1131 C15 EMD A 1 56.598 7.493 1.680 1.00 0.00 C HETATM 1132 C16 EMD A 1 57.391 6.959 2.854 1.00 0.00 C HETATM 1133 C17 EMD A 1 57.551 5.421 2.824 1.00 0.00 C HETATM 1134 C18 EMD A 1 56.170 7.333 -0.780 1.00 0.00 C HETATM 1135 O18 EMD A 1 56.315 6.838 -1.898 1.00 0.00 O HETATM 1136 C19 EMD A 1 55.228 8.533 -0.665 1.00 0.00 C HETATM 1137 C20 EMD A 1 55.754 9.808 -0.414 1.00 0.00 C HETATM 1138 C21 EMD A 1 54.896 10.872 -0.094 1.00 0.00 C HETATM 1139 O21 EMD A 1 55.471 12.125 0.148 1.00 0.00 O HETATM 1140 C22 EMD A 1 53.530 10.665 -0.026 1.00 0.00 C HETATM 1141 O22 EMD A 1 52.636 11.693 0.291 1.00 0.00 O HETATM 1142 C23 EMD A 1 52.997 9.392 -0.276 1.00 0.00 C HETATM 1143 C24 EMD A 1 53.845 8.327 -0.596 1.00 0.00 C HETATM 1144 C25 EMD A 1 56.639 12.640 -0.541 1.00 0.00 C HETATM 1145 C26 EMD A 1 51.365 11.492 0.957 1.00 0.00 C HETATM 0 H263 EMD A 1 50.739 10.834 0.355 1.00 0.00 H new HETATM 0 H262 EMD A 1 51.534 11.038 1.934 1.00 0.00 H new HETATM 0 H261 EMD A 1 50.865 12.452 1.084 1.00 0.00 H new HETATM 0 H253 EMD A 1 57.486 11.975 -0.369 1.00 0.00 H new HETATM 0 H252 EMD A 1 56.435 12.698 -1.610 1.00 0.00 H new HETATM 0 H251 EMD A 1 56.875 13.635 -0.163 1.00 0.00 H new HETATM 0 H172 EMD A 1 56.586 4.945 3.000 1.00 0.00 H new HETATM 0 H171 EMD A 1 58.215 5.102 3.628 1.00 0.00 H new HETATM 0 H162 EMD A 1 58.378 7.422 2.860 1.00 0.00 H new HETATM 0 H161 EMD A 1 56.897 7.250 3.781 1.00 0.00 H new HETATM 0 H152 EMD A 1 56.819 8.555 1.575 1.00 0.00 H new HETATM 0 H151 EMD A 1 55.538 7.410 1.920 1.00 0.00 H new HETATM 0 H9 EMD A 1 59.246 3.338 2.342 1.00 0.00 H new HETATM 0 H73 EMD A 1 59.951 -0.489 -0.451 1.00 0.00 H new HETATM 0 H72 EMD A 1 59.165 -0.867 1.101 1.00 0.00 H new HETATM 0 H71 EMD A 1 58.485 0.391 0.042 1.00 0.00 H new HETATM 0 H6 EMD A 1 59.795 1.404 1.976 1.00 0.00 H new HETATM 0 H3 EMD A 1 63.512 1.815 -1.072 1.00 0.00 H new HETATM 0 H24 EMD A 1 53.430 7.338 -0.791 1.00 0.00 H new HETATM 0 H23 EMD A 1 51.920 9.233 -0.221 1.00 0.00 H new HETATM 0 H20 EMD A 1 56.830 9.973 -0.467 1.00 0.00 H new HETATM 0 H13 EMD A 1 59.583 3.753 -1.940 1.00 0.00 H new HETATM 0 H12 EMD A 1 58.042 5.709 -1.880 1.00 0.00 H new