USER MOD reduce.3.24.130724 H: found=0, std=0, add=169, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 172 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 135 SER OG : rot 36:sc= 1.12 USER MOD Single : A 140 HIS : no HE2:sc= -4.01 K(o=-2.9,f=-10!) USER MOD Single : A 143 ASN : amide:sc= 0.572 K(o=0.57,f=0) USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 ASN : amide:sc= -0.951 K(o=-0.95,f=0.54) USER MOD Single : A 154 MET CE :methyl 160:sc= -0.0267 (180deg=-0.474) USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 135 1.872 -2.141 1.225 1.00 1.00 N ATOM 2 CA SER A 135 2.143 -0.716 1.136 1.00 1.00 C ATOM 3 C SER A 135 3.328 -0.441 0.208 1.00 1.00 C ATOM 4 O SER A 135 4.330 -1.153 0.247 1.00 1.00 O ATOM 5 CB SER A 135 2.505 -0.267 2.553 1.00 1.00 C ATOM 6 OG SER A 135 3.225 0.964 2.555 1.00 1.00 O ATOM 0 HA SER A 135 1.279 -0.185 0.737 1.00 1.00 H new ATOM 0 HB2 SER A 135 1.595 -0.156 3.142 1.00 1.00 H new ATOM 0 HB3 SER A 135 3.105 -1.039 3.036 1.00 1.00 H new ATOM 0 HG SER A 135 2.887 1.542 1.840 1.00 1.00 H new ATOM 14 N ARG A 136 3.174 0.596 -0.603 1.00 1.00 N ATOM 15 CA ARG A 136 4.249 1.022 -1.484 1.00 1.00 C ATOM 16 C ARG A 136 4.244 2.545 -1.628 1.00 1.00 C ATOM 17 O ARG A 136 3.190 3.152 -1.812 1.00 1.00 O ATOM 18 CB ARG A 136 4.111 0.386 -2.869 1.00 1.00 C ATOM 19 CG ARG A 136 4.433 -1.109 -2.820 1.00 1.00 C ATOM 20 CD ARG A 136 4.500 -1.703 -4.229 1.00 1.00 C ATOM 21 NE ARG A 136 4.772 -3.155 -4.154 1.00 1.00 N ATOM 22 CZ ARG A 136 5.033 -3.926 -5.218 1.00 1.00 C ATOM 23 NH1 ARG A 136 5.070 -3.386 -6.444 1.00 1.00 N ATOM 24 NH2 ARG A 136 5.257 -5.237 -5.057 1.00 1.00 N ATOM 0 H ARG A 136 2.322 1.153 -0.669 1.00 1.00 H new ATOM 0 HA ARG A 136 5.190 0.698 -1.040 1.00 1.00 H new ATOM 0 HB2 ARG A 136 3.097 0.531 -3.240 1.00 1.00 H new ATOM 0 HB3 ARG A 136 4.781 0.883 -3.570 1.00 1.00 H new ATOM 0 HG2 ARG A 136 5.385 -1.263 -2.311 1.00 1.00 H new ATOM 0 HG3 ARG A 136 3.672 -1.629 -2.238 1.00 1.00 H new ATOM 0 HD2 ARG A 136 3.560 -1.527 -4.752 1.00 1.00 H new ATOM 0 HD3 ARG A 136 5.282 -1.208 -4.805 1.00 1.00 H new ATOM 0 HE ARG A 136 4.760 -3.597 -3.235 1.00 1.00 H new ATOM 0 HH11 ARG A 136 4.899 -2.388 -6.567 1.00 1.00 H new ATOM 0 HH12 ARG A 136 5.269 -3.973 -7.254 1.00 1.00 H new ATOM 0 HH21 ARG A 136 5.229 -5.648 -4.124 1.00 1.00 H new ATOM 0 HH22 ARG A 136 5.456 -5.824 -5.867 1.00 1.00 H new ATOM 38 N PRO A 137 5.466 3.135 -1.536 1.00 1.00 N ATOM 39 CA PRO A 137 5.608 4.578 -1.614 1.00 1.00 C ATOM 40 C PRO A 137 5.441 5.068 -3.054 1.00 1.00 C ATOM 41 O PRO A 137 5.825 4.378 -3.997 1.00 1.00 O ATOM 42 CB PRO A 137 6.986 4.870 -1.044 1.00 1.00 C ATOM 43 CG PRO A 137 7.746 3.555 -1.098 1.00 1.00 C ATOM 44 CD PRO A 137 6.740 2.445 -1.356 1.00 1.00 C ATOM 0 HA PRO A 137 4.839 5.107 -1.051 1.00 1.00 H new ATOM 0 HB2 PRO A 137 7.494 5.639 -1.626 1.00 1.00 H new ATOM 0 HB3 PRO A 137 6.915 5.239 -0.021 1.00 1.00 H new ATOM 0 HG2 PRO A 137 8.497 3.580 -1.888 1.00 1.00 H new ATOM 0 HG3 PRO A 137 8.275 3.381 -0.161 1.00 1.00 H new ATOM 0 HD2 PRO A 137 7.006 1.867 -2.241 1.00 1.00 H new ATOM 0 HD3 PRO A 137 6.698 1.747 -0.520 1.00 1.00 H new ATOM 52 N LEU A 138 4.869 6.257 -3.178 1.00 1.00 N ATOM 53 CA LEU A 138 4.582 6.816 -4.488 1.00 1.00 C ATOM 54 C LEU A 138 4.556 8.343 -4.392 1.00 1.00 C ATOM 55 O LEU A 138 3.769 8.998 -5.073 1.00 1.00 O ATOM 56 CB LEU A 138 3.295 6.214 -5.057 1.00 1.00 C ATOM 57 CG LEU A 138 3.133 6.291 -6.577 1.00 1.00 C ATOM 58 CD1 LEU A 138 4.110 5.346 -7.280 1.00 1.00 C ATOM 59 CD2 LEU A 138 1.683 6.027 -6.989 1.00 1.00 C ATOM 0 H LEU A 138 4.597 6.848 -2.393 1.00 1.00 H new ATOM 0 HA LEU A 138 5.369 6.554 -5.195 1.00 1.00 H new ATOM 0 HB2 LEU A 138 3.244 5.167 -4.759 1.00 1.00 H new ATOM 0 HB3 LEU A 138 2.446 6.718 -4.595 1.00 1.00 H new ATOM 0 HG LEU A 138 3.378 7.304 -6.896 1.00 1.00 H new ATOM 0 HD11 LEU A 138 3.975 5.420 -8.359 1.00 1.00 H new ATOM 0 HD12 LEU A 138 5.132 5.623 -7.023 1.00 1.00 H new ATOM 0 HD13 LEU A 138 3.920 4.322 -6.960 1.00 1.00 H new ATOM 0 HD21 LEU A 138 1.596 6.088 -8.074 1.00 1.00 H new ATOM 0 HD22 LEU A 138 1.386 5.033 -6.656 1.00 1.00 H new ATOM 0 HD23 LEU A 138 1.033 6.772 -6.531 1.00 1.00 H new ATOM 71 N ILE A 139 5.427 8.865 -3.541 1.00 1.00 N ATOM 72 CA ILE A 139 4.987 9.453 -2.287 1.00 1.00 C ATOM 73 C ILE A 139 3.490 9.760 -2.370 1.00 1.00 C ATOM 74 O ILE A 139 3.078 10.659 -3.100 1.00 1.00 O ATOM 75 CB ILE A 139 5.846 10.670 -1.936 1.00 1.00 C ATOM 76 CG1 ILE A 139 7.326 10.395 -2.211 1.00 1.00 C ATOM 77 CG2 ILE A 139 5.605 11.114 -0.491 1.00 1.00 C ATOM 78 CD1 ILE A 139 7.835 9.230 -1.359 1.00 1.00 C ATOM 0 H ILE A 139 6.435 8.893 -3.695 1.00 1.00 H new ATOM 0 HA ILE A 139 5.123 8.748 -1.467 1.00 1.00 H new ATOM 0 HB ILE A 139 5.546 11.496 -2.581 1.00 1.00 H new ATOM 0 HG12 ILE A 139 7.467 10.166 -3.267 1.00 1.00 H new ATOM 0 HG13 ILE A 139 7.912 11.289 -1.998 1.00 1.00 H new ATOM 0 HG21 ILE A 139 6.228 11.980 -0.268 1.00 1.00 H new ATOM 0 HG22 ILE A 139 4.556 11.379 -0.362 1.00 1.00 H new ATOM 0 HG23 ILE A 139 5.860 10.300 0.187 1.00 1.00 H new ATOM 0 HD11 ILE A 139 8.889 9.056 -1.574 1.00 1.00 H new ATOM 0 HD12 ILE A 139 7.715 9.472 -0.303 1.00 1.00 H new ATOM 0 HD13 ILE A 139 7.264 8.332 -1.593 1.00 1.00 H new ATOM 90 N HIS A 140 2.720 8.994 -1.611 1.00 1.00 N ATOM 91 CA HIS A 140 1.274 9.134 -1.633 1.00 1.00 C ATOM 92 C HIS A 140 0.758 9.369 -0.212 1.00 1.00 C ATOM 93 O HIS A 140 0.074 8.518 0.354 1.00 1.00 O ATOM 94 CB HIS A 140 0.622 7.926 -2.307 1.00 1.00 C ATOM 95 CG HIS A 140 0.872 6.617 -1.597 1.00 1.00 C ATOM 96 ND1 HIS A 140 0.303 5.422 -2.003 1.00 1.00 N ATOM 97 CD2 HIS A 140 1.635 6.328 -0.504 1.00 1.00 C ATOM 98 CE1 HIS A 140 0.712 4.464 -1.184 1.00 1.00 C ATOM 99 NE2 HIS A 140 1.536 5.027 -0.255 1.00 1.00 N ATOM 0 H HIS A 140 3.070 8.275 -0.978 1.00 1.00 H new ATOM 0 HA HIS A 140 0.999 10.003 -2.230 1.00 1.00 H new ATOM 0 HB2 HIS A 140 -0.453 8.094 -2.369 1.00 1.00 H new ATOM 0 HB3 HIS A 140 0.992 7.850 -3.329 1.00 1.00 H new ATOM 0 HD1 HIS A 140 -0.325 5.300 -2.798 1.00 1.00 H new ATOM 0 HD2 HIS A 140 2.220 7.037 0.063 1.00 1.00 H new ATOM 0 HE1 HIS A 140 0.440 3.420 -1.242 1.00 1.00 H new ATOM 108 N PHE A 141 1.107 10.529 0.326 1.00 1.00 N ATOM 109 CA PHE A 141 0.501 10.995 1.561 1.00 1.00 C ATOM 110 C PHE A 141 -0.973 10.592 1.635 1.00 1.00 C ATOM 111 O PHE A 141 -1.734 10.836 0.699 1.00 1.00 O ATOM 112 CB PHE A 141 0.601 12.521 1.562 1.00 1.00 C ATOM 113 CG PHE A 141 1.895 13.059 2.176 1.00 1.00 C ATOM 114 CD1 PHE A 141 3.083 12.467 1.884 1.00 1.00 C ATOM 115 CD2 PHE A 141 1.856 14.130 3.014 1.00 1.00 C ATOM 116 CE1 PHE A 141 4.285 12.967 2.453 1.00 1.00 C ATOM 117 CE2 PHE A 141 3.057 14.629 3.583 1.00 1.00 C ATOM 118 CZ PHE A 141 4.246 14.037 3.291 1.00 1.00 C ATOM 0 H PHE A 141 1.803 11.160 -0.072 1.00 1.00 H new ATOM 0 HA PHE A 141 1.014 10.554 2.416 1.00 1.00 H new ATOM 0 HB2 PHE A 141 0.520 12.881 0.536 1.00 1.00 H new ATOM 0 HB3 PHE A 141 -0.247 12.930 2.111 1.00 1.00 H new ATOM 0 HD1 PHE A 141 3.113 11.616 1.219 1.00 1.00 H new ATOM 0 HD2 PHE A 141 0.912 14.600 3.246 1.00 1.00 H new ATOM 0 HE1 PHE A 141 5.229 12.497 2.220 1.00 1.00 H new ATOM 0 HE2 PHE A 141 3.026 15.479 4.248 1.00 1.00 H new ATOM 0 HZ PHE A 141 5.159 14.417 3.725 1.00 1.00 H new ATOM 128 N GLY A 142 -1.333 9.981 2.754 1.00 1.00 N ATOM 129 CA GLY A 142 -0.371 9.223 3.536 1.00 1.00 C ATOM 130 C GLY A 142 -1.055 8.082 4.289 1.00 1.00 C ATOM 131 O GLY A 142 -0.988 8.016 5.517 1.00 1.00 O ATOM 0 H GLY A 142 -2.278 9.995 3.138 1.00 1.00 H new ATOM 0 HA2 GLY A 142 0.400 8.820 2.879 1.00 1.00 H new ATOM 0 HA3 GLY A 142 0.128 9.884 4.245 1.00 1.00 H new ATOM 135 N ASN A 143 -1.697 7.211 3.525 1.00 1.00 N ATOM 136 CA ASN A 143 -2.632 6.259 4.099 1.00 1.00 C ATOM 137 C ASN A 143 -2.520 4.927 3.354 1.00 1.00 C ATOM 138 O ASN A 143 -2.882 3.880 3.888 1.00 1.00 O ATOM 139 CB ASN A 143 -4.074 6.754 3.966 1.00 1.00 C ATOM 140 CG ASN A 143 -4.901 6.368 5.195 1.00 1.00 C ATOM 141 OD1 ASN A 143 -5.498 7.199 5.860 1.00 1.00 O ATOM 142 ND2 ASN A 143 -4.903 5.064 5.457 1.00 1.00 N ATOM 0 H ASN A 143 -1.588 7.145 2.513 1.00 1.00 H new ATOM 0 HA ASN A 143 -2.386 6.141 5.154 1.00 1.00 H new ATOM 0 HB2 ASN A 143 -4.081 7.837 3.844 1.00 1.00 H new ATOM 0 HB3 ASN A 143 -4.527 6.329 3.070 1.00 1.00 H new ATOM 0 HD21 ASN A 143 -5.426 4.705 6.256 1.00 1.00 H new ATOM 0 HD22 ASN A 143 -4.381 4.423 4.859 1.00 1.00 H new ATOM 149 N ASP A 144 -2.017 5.011 2.130 1.00 1.00 N ATOM 150 CA ASP A 144 -1.523 3.831 1.442 1.00 1.00 C ATOM 151 C ASP A 144 -2.645 2.796 1.343 1.00 1.00 C ATOM 152 O ASP A 144 -2.470 1.644 1.735 1.00 1.00 O ATOM 153 CB ASP A 144 -0.360 3.194 2.206 1.00 1.00 C ATOM 154 CG ASP A 144 0.703 2.529 1.328 1.00 1.00 C ATOM 155 OD1 ASP A 144 0.309 1.654 0.527 1.00 1.00 O ATOM 156 OD2 ASP A 144 1.883 2.909 1.480 1.00 1.00 O ATOM 0 H ASP A 144 -1.941 5.878 1.598 1.00 1.00 H new ATOM 0 HA ASP A 144 -1.181 4.136 0.453 1.00 1.00 H new ATOM 0 HB2 ASP A 144 0.120 3.961 2.813 1.00 1.00 H new ATOM 0 HB3 ASP A 144 -0.761 2.449 2.893 1.00 1.00 H new ATOM 161 N TYR A 145 -3.774 3.245 0.814 1.00 1.00 N ATOM 162 CA TYR A 145 -4.929 2.375 0.666 1.00 1.00 C ATOM 163 C TYR A 145 -4.718 1.373 -0.472 1.00 1.00 C ATOM 164 O TYR A 145 -5.483 0.420 -0.613 1.00 1.00 O ATOM 165 CB TYR A 145 -6.104 3.289 0.313 1.00 1.00 C ATOM 166 CG TYR A 145 -6.045 3.859 -1.106 1.00 1.00 C ATOM 167 CD1 TYR A 145 -5.353 5.028 -1.353 1.00 1.00 C ATOM 168 CD2 TYR A 145 -6.684 3.204 -2.139 1.00 1.00 C ATOM 169 CE1 TYR A 145 -5.297 5.563 -2.688 1.00 1.00 C ATOM 170 CE2 TYR A 145 -6.629 3.741 -3.475 1.00 1.00 C ATOM 171 CZ TYR A 145 -5.938 4.893 -3.683 1.00 1.00 C ATOM 172 OH TYR A 145 -5.886 5.399 -4.944 1.00 1.00 O ATOM 0 H TYR A 145 -3.914 4.200 0.483 1.00 1.00 H new ATOM 0 HA TYR A 145 -5.101 1.807 1.580 1.00 1.00 H new ATOM 0 HB2 TYR A 145 -7.033 2.731 0.431 1.00 1.00 H new ATOM 0 HB3 TYR A 145 -6.135 4.115 1.024 1.00 1.00 H new ATOM 0 HD1 TYR A 145 -4.854 5.541 -0.544 1.00 1.00 H new ATOM 0 HD2 TYR A 145 -7.225 2.289 -1.946 1.00 1.00 H new ATOM 0 HE1 TYR A 145 -4.758 6.476 -2.895 1.00 1.00 H new ATOM 0 HE2 TYR A 145 -7.126 3.240 -4.293 1.00 1.00 H new ATOM 0 HH TYR A 145 -6.387 4.816 -5.551 1.00 1.00 H new ATOM 182 N GLU A 146 -3.678 1.624 -1.253 1.00 1.00 N ATOM 183 CA GLU A 146 -3.294 0.702 -2.308 1.00 1.00 C ATOM 184 C GLU A 146 -2.547 -0.497 -1.719 1.00 1.00 C ATOM 185 O GLU A 146 -2.141 -1.399 -2.450 1.00 1.00 O ATOM 186 CB GLU A 146 -2.450 1.405 -3.372 1.00 1.00 C ATOM 187 CG GLU A 146 -3.021 2.787 -3.700 1.00 1.00 C ATOM 188 CD GLU A 146 -2.198 3.892 -3.035 1.00 1.00 C ATOM 189 OE1 GLU A 146 -2.262 3.976 -1.790 1.00 1.00 O ATOM 190 OE2 GLU A 146 -1.523 4.627 -3.787 1.00 1.00 O ATOM 0 H GLU A 146 -3.089 2.453 -1.176 1.00 1.00 H new ATOM 0 HA GLU A 146 -4.200 0.339 -2.793 1.00 1.00 H new ATOM 0 HB2 GLU A 146 -1.424 1.506 -3.019 1.00 1.00 H new ATOM 0 HB3 GLU A 146 -2.418 0.797 -4.276 1.00 1.00 H new ATOM 0 HG2 GLU A 146 -3.029 2.934 -4.780 1.00 1.00 H new ATOM 0 HG3 GLU A 146 -4.056 2.846 -3.363 1.00 1.00 H new ATOM 197 N ASP A 147 -2.390 -0.467 -0.404 1.00 1.00 N ATOM 198 CA ASP A 147 -1.695 -1.539 0.290 1.00 1.00 C ATOM 199 C ASP A 147 -2.324 -2.880 -0.094 1.00 1.00 C ATOM 200 O ASP A 147 -1.624 -3.883 -0.222 1.00 1.00 O ATOM 201 CB ASP A 147 -1.813 -1.379 1.806 1.00 1.00 C ATOM 202 CG ASP A 147 -1.395 -2.605 2.621 1.00 1.00 C ATOM 203 OD1 ASP A 147 -0.190 -2.692 2.939 1.00 1.00 O ATOM 204 OD2 ASP A 147 -2.292 -3.429 2.907 1.00 1.00 O ATOM 0 H ASP A 147 -2.731 0.281 0.199 1.00 1.00 H new ATOM 0 HA ASP A 147 -0.644 -1.502 0.004 1.00 1.00 H new ATOM 0 HB2 ASP A 147 -1.202 -0.531 2.115 1.00 1.00 H new ATOM 0 HB3 ASP A 147 -2.846 -1.134 2.051 1.00 1.00 H new ATOM 209 N ARG A 148 -3.638 -2.855 -0.266 1.00 1.00 N ATOM 210 CA ARG A 148 -4.401 -4.086 -0.386 1.00 1.00 C ATOM 211 C ARG A 148 -4.081 -4.781 -1.711 1.00 1.00 C ATOM 212 O ARG A 148 -4.426 -5.946 -1.904 1.00 1.00 O ATOM 213 CB ARG A 148 -5.904 -3.811 -0.312 1.00 1.00 C ATOM 214 CG ARG A 148 -6.272 -3.125 1.006 1.00 1.00 C ATOM 215 CD ARG A 148 -6.344 -4.139 2.150 1.00 1.00 C ATOM 216 NE ARG A 148 -4.982 -4.452 2.637 1.00 1.00 N ATOM 217 CZ ARG A 148 -4.604 -5.652 3.094 1.00 1.00 C ATOM 218 NH1 ARG A 148 -5.521 -6.604 3.317 1.00 1.00 N ATOM 219 NH2 ARG A 148 -3.309 -5.903 3.329 1.00 1.00 N ATOM 0 H ARG A 148 -4.193 -2.002 -0.325 1.00 1.00 H new ATOM 0 HA ARG A 148 -4.120 -4.733 0.445 1.00 1.00 H new ATOM 0 HB2 ARG A 148 -6.204 -3.181 -1.150 1.00 1.00 H new ATOM 0 HB3 ARG A 148 -6.454 -4.748 -0.404 1.00 1.00 H new ATOM 0 HG2 ARG A 148 -5.533 -2.359 1.240 1.00 1.00 H new ATOM 0 HG3 ARG A 148 -7.232 -2.620 0.902 1.00 1.00 H new ATOM 0 HD2 ARG A 148 -6.947 -3.738 2.965 1.00 1.00 H new ATOM 0 HD3 ARG A 148 -6.835 -5.050 1.809 1.00 1.00 H new ATOM 0 HE ARG A 148 -4.287 -3.706 2.624 1.00 1.00 H new ATOM 0 HH11 ARG A 148 -6.507 -6.414 3.138 1.00 1.00 H new ATOM 0 HH12 ARG A 148 -5.233 -7.518 3.665 1.00 1.00 H new ATOM 0 HH21 ARG A 148 -2.610 -5.179 3.160 1.00 1.00 H new ATOM 0 HH22 ARG A 148 -3.022 -6.818 3.677 1.00 1.00 H new ATOM 233 N TYR A 149 -3.426 -4.037 -2.590 1.00 1.00 N ATOM 234 CA TYR A 149 -3.001 -4.587 -3.866 1.00 1.00 C ATOM 235 C TYR A 149 -1.516 -4.953 -3.838 1.00 1.00 C ATOM 236 O TYR A 149 -1.044 -5.713 -4.683 1.00 1.00 O ATOM 237 CB TYR A 149 -3.221 -3.477 -4.897 1.00 1.00 C ATOM 238 CG TYR A 149 -4.676 -3.019 -5.017 1.00 1.00 C ATOM 239 CD1 TYR A 149 -5.155 -2.021 -4.192 1.00 1.00 C ATOM 240 CD2 TYR A 149 -5.510 -3.603 -5.948 1.00 1.00 C ATOM 241 CE1 TYR A 149 -6.524 -1.589 -4.304 1.00 1.00 C ATOM 242 CE2 TYR A 149 -6.879 -3.171 -6.060 1.00 1.00 C ATOM 243 CZ TYR A 149 -7.318 -2.186 -5.233 1.00 1.00 C ATOM 244 OH TYR A 149 -8.611 -1.778 -5.339 1.00 1.00 O ATOM 0 H TYR A 149 -3.179 -3.058 -2.444 1.00 1.00 H new ATOM 0 HA TYR A 149 -3.561 -5.492 -4.100 1.00 1.00 H new ATOM 0 HB2 TYR A 149 -2.602 -2.620 -4.631 1.00 1.00 H new ATOM 0 HB3 TYR A 149 -2.879 -3.827 -5.871 1.00 1.00 H new ATOM 0 HD1 TYR A 149 -4.503 -1.564 -3.462 1.00 1.00 H new ATOM 0 HD2 TYR A 149 -5.136 -4.384 -6.593 1.00 1.00 H new ATOM 0 HE1 TYR A 149 -6.911 -0.809 -3.665 1.00 1.00 H new ATOM 0 HE2 TYR A 149 -7.542 -3.620 -6.785 1.00 1.00 H new ATOM 0 HH TYR A 149 -9.059 -2.291 -6.044 1.00 1.00 H new ATOM 254 N TYR A 150 -0.820 -4.394 -2.859 1.00 1.00 N ATOM 255 CA TYR A 150 0.618 -4.585 -2.761 1.00 1.00 C ATOM 256 C TYR A 150 1.037 -4.852 -1.315 1.00 1.00 C ATOM 257 O TYR A 150 1.791 -4.076 -0.729 1.00 1.00 O ATOM 258 CB TYR A 150 1.250 -3.272 -3.228 1.00 1.00 C ATOM 259 CG TYR A 150 0.932 -2.910 -4.681 1.00 1.00 C ATOM 260 CD1 TYR A 150 1.567 -3.575 -5.711 1.00 1.00 C ATOM 261 CD2 TYR A 150 0.012 -1.921 -4.960 1.00 1.00 C ATOM 262 CE1 TYR A 150 1.269 -3.234 -7.078 1.00 1.00 C ATOM 263 CE2 TYR A 150 -0.287 -1.581 -6.327 1.00 1.00 C ATOM 264 CZ TYR A 150 0.357 -2.254 -7.319 1.00 1.00 C ATOM 265 OH TYR A 150 0.075 -1.933 -8.610 1.00 1.00 O ATOM 0 H TYR A 150 -1.224 -3.809 -2.127 1.00 1.00 H new ATOM 0 HA TYR A 150 0.934 -5.438 -3.361 1.00 1.00 H new ATOM 0 HB2 TYR A 150 0.907 -2.465 -2.580 1.00 1.00 H new ATOM 0 HB3 TYR A 150 2.331 -3.339 -3.109 1.00 1.00 H new ATOM 0 HD1 TYR A 150 2.286 -4.350 -5.492 1.00 1.00 H new ATOM 0 HD2 TYR A 150 -0.484 -1.402 -4.153 1.00 1.00 H new ATOM 0 HE1 TYR A 150 1.759 -3.745 -7.894 1.00 1.00 H new ATOM 0 HE2 TYR A 150 -1.006 -0.809 -6.560 1.00 1.00 H new ATOM 0 HH TYR A 150 -0.595 -1.218 -8.630 1.00 1.00 H new ATOM 275 N ARG A 151 0.531 -5.953 -0.779 1.00 1.00 N ATOM 276 CA ARG A 151 0.435 -6.109 0.663 1.00 1.00 C ATOM 277 C ARG A 151 1.608 -6.941 1.185 1.00 1.00 C ATOM 278 O ARG A 151 1.409 -7.904 1.925 1.00 1.00 O ATOM 279 CB ARG A 151 -0.878 -6.787 1.058 1.00 1.00 C ATOM 280 CG ARG A 151 -1.072 -8.097 0.292 1.00 1.00 C ATOM 281 CD ARG A 151 -2.372 -8.788 0.707 1.00 1.00 C ATOM 282 NE ARG A 151 -3.515 -8.196 -0.024 1.00 1.00 N ATOM 283 CZ ARG A 151 -4.784 -8.605 0.110 1.00 1.00 C ATOM 284 NH1 ARG A 151 -5.097 -9.532 1.025 1.00 1.00 N ATOM 285 NH2 ARG A 151 -5.741 -8.087 -0.674 1.00 1.00 N ATOM 0 H ARG A 151 0.183 -6.746 -1.318 1.00 1.00 H new ATOM 0 HA ARG A 151 0.464 -5.114 1.107 1.00 1.00 H new ATOM 0 HB2 ARG A 151 -0.881 -6.985 2.130 1.00 1.00 H new ATOM 0 HB3 ARG A 151 -1.713 -6.116 0.855 1.00 1.00 H new ATOM 0 HG2 ARG A 151 -1.088 -7.897 -0.779 1.00 1.00 H new ATOM 0 HG3 ARG A 151 -0.228 -8.760 0.479 1.00 1.00 H new ATOM 0 HD2 ARG A 151 -2.309 -9.856 0.497 1.00 1.00 H new ATOM 0 HD3 ARG A 151 -2.523 -8.683 1.781 1.00 1.00 H new ATOM 0 HE ARG A 151 -3.325 -7.429 -0.670 1.00 1.00 H new ATOM 0 HH11 ARG A 151 -4.369 -9.927 1.620 1.00 1.00 H new ATOM 0 HH12 ARG A 151 -6.063 -9.843 1.126 1.00 1.00 H new ATOM 0 HH21 ARG A 151 -5.503 -7.382 -1.372 1.00 1.00 H new ATOM 0 HH22 ARG A 151 -6.707 -8.398 -0.573 1.00 1.00 H new ATOM 299 N GLU A 152 2.804 -6.540 0.780 1.00 1.00 N ATOM 300 CA GLU A 152 4.005 -7.264 1.162 1.00 1.00 C ATOM 301 C GLU A 152 4.397 -6.920 2.600 1.00 1.00 C ATOM 302 O GLU A 152 5.581 -6.820 2.919 1.00 1.00 O ATOM 303 CB GLU A 152 5.154 -6.968 0.196 1.00 1.00 C ATOM 304 CG GLU A 152 4.852 -7.519 -1.200 1.00 1.00 C ATOM 305 CD GLU A 152 4.215 -6.447 -2.086 1.00 1.00 C ATOM 306 OE1 GLU A 152 4.932 -5.473 -2.403 1.00 1.00 O ATOM 307 OE2 GLU A 152 3.027 -6.626 -2.429 1.00 1.00 O ATOM 0 H GLU A 152 2.967 -5.723 0.191 1.00 1.00 H new ATOM 0 HA GLU A 152 3.794 -8.332 1.109 1.00 1.00 H new ATOM 0 HB2 GLU A 152 5.318 -5.892 0.139 1.00 1.00 H new ATOM 0 HB3 GLU A 152 6.075 -7.411 0.574 1.00 1.00 H new ATOM 0 HG2 GLU A 152 5.773 -7.877 -1.661 1.00 1.00 H new ATOM 0 HG3 GLU A 152 4.182 -8.375 -1.120 1.00 1.00 H new ATOM 314 N ASN A 153 3.380 -6.748 3.432 1.00 1.00 N ATOM 315 CA ASN A 153 3.599 -6.340 4.809 1.00 1.00 C ATOM 316 C ASN A 153 2.310 -6.539 5.607 1.00 1.00 C ATOM 317 O ASN A 153 2.183 -6.041 6.725 1.00 1.00 O ATOM 318 CB ASN A 153 3.984 -4.862 4.892 1.00 1.00 C ATOM 319 CG ASN A 153 3.017 -3.998 4.079 1.00 1.00 C ATOM 320 OD1 ASN A 153 3.303 -3.578 2.970 1.00 1.00 O ATOM 321 ND2 ASN A 153 1.861 -3.758 4.690 1.00 1.00 N ATOM 0 H ASN A 153 2.401 -6.884 3.178 1.00 1.00 H new ATOM 0 HA ASN A 153 4.409 -6.946 5.215 1.00 1.00 H new ATOM 0 HB2 ASN A 153 3.979 -4.539 5.933 1.00 1.00 H new ATOM 0 HB3 ASN A 153 5.000 -4.725 4.521 1.00 1.00 H new ATOM 0 HD21 ASN A 153 1.149 -3.191 4.230 1.00 1.00 H new ATOM 0 HD22 ASN A 153 1.686 -4.141 5.619 1.00 1.00 H new ATOM 328 N MET A 154 1.383 -7.269 5.003 1.00 1.00 N ATOM 329 CA MET A 154 0.065 -7.438 5.588 1.00 1.00 C ATOM 330 C MET A 154 -0.695 -8.579 4.907 1.00 1.00 C ATOM 331 O MET A 154 -0.488 -8.848 3.725 1.00 1.00 O ATOM 332 CB MET A 154 -0.730 -6.139 5.443 1.00 1.00 C ATOM 333 CG MET A 154 -2.030 -6.198 6.246 1.00 1.00 C ATOM 334 SD MET A 154 -1.672 -6.530 7.964 1.00 1.00 S ATOM 335 CE MET A 154 -0.925 -4.976 8.430 1.00 1.00 C ATOM 0 H MET A 154 1.520 -7.750 4.114 1.00 1.00 H new ATOM 0 HA MET A 154 0.186 -7.684 6.643 1.00 1.00 H new ATOM 0 HB2 MET A 154 -0.126 -5.299 5.785 1.00 1.00 H new ATOM 0 HB3 MET A 154 -0.956 -5.962 4.391 1.00 1.00 H new ATOM 0 HG2 MET A 154 -2.567 -5.254 6.154 1.00 1.00 H new ATOM 0 HG3 MET A 154 -2.680 -6.975 5.845 1.00 1.00 H new ATOM 0 HE1 MET A 154 -0.963 -4.864 9.514 1.00 1.00 H new ATOM 0 HE2 MET A 154 0.114 -4.958 8.100 1.00 1.00 H new ATOM 0 HE3 MET A 154 -1.469 -4.156 7.961 1.00 1.00 H new ATOM 345 N TYR A 155 -1.558 -9.218 5.682 1.00 1.00 N ATOM 346 CA TYR A 155 -2.432 -10.245 5.141 1.00 1.00 C ATOM 347 C TYR A 155 -3.326 -9.678 4.037 1.00 1.00 C ATOM 348 O TYR A 155 -3.601 -10.437 3.083 1.00 1.00 O ATOM 349 CB TYR A 155 -3.310 -10.708 6.306 1.00 1.00 C ATOM 350 CG TYR A 155 -2.523 -11.173 7.532 1.00 1.00 C ATOM 351 CD1 TYR A 155 -1.886 -12.397 7.519 1.00 1.00 C ATOM 352 CD2 TYR A 155 -2.452 -10.369 8.652 1.00 1.00 C ATOM 353 CE1 TYR A 155 -1.145 -12.835 8.675 1.00 1.00 C ATOM 354 CE2 TYR A 155 -1.710 -10.807 9.806 1.00 1.00 C ATOM 355 CZ TYR A 155 -1.094 -12.018 9.760 1.00 1.00 C ATOM 356 OH TYR A 155 -0.393 -12.431 10.851 1.00 1.00 O ATOM 357 OXT TYR A 155 -3.716 -8.499 4.173 1.00 1.00 O ATOM 0 H TYR A 155 -1.671 -9.045 6.681 1.00 1.00 H new ATOM 0 HA TYR A 155 -1.848 -11.058 4.709 1.00 1.00 H new ATOM 0 HB2 TYR A 155 -3.968 -9.890 6.599 1.00 1.00 H new ATOM 0 HB3 TYR A 155 -3.947 -11.524 5.965 1.00 1.00 H new ATOM 0 HD1 TYR A 155 -1.943 -13.026 6.643 1.00 1.00 H new ATOM 0 HD2 TYR A 155 -2.953 -9.412 8.663 1.00 1.00 H new ATOM 0 HE1 TYR A 155 -0.642 -13.791 8.679 1.00 1.00 H new ATOM 0 HE2 TYR A 155 -1.644 -10.187 10.688 1.00 1.00 H new ATOM 0 HH TYR A 155 -0.442 -11.746 11.550 1.00 1.00 H new TER 367 TYR A 155