USER MOD reduce.3.24.130724 H: found=0, std=0, add=169, rem=0, adj=6 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 -29:sc= 0.515 USER MOD Single : A 140 HIS : no HD1:sc= -3.22 K(o=-3.2,f=-6.2!) USER MOD Single : A 143 ASN : amide:sc= 0.825 K(o=0.82,f=0) USER MOD Single : A 145 TYR OH : rot -5:sc= 0.674 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= 0.787 K(o=0.79,f=-1.8) USER MOD Single : A 154 MET CE :methyl 169:sc= -0.0132 (180deg=-0.174) USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 135 -0.457 -2.761 3.904 1.00 1.00 N ATOM 2 CA SER A 135 -0.076 -1.359 3.870 1.00 1.00 C ATOM 3 C SER A 135 1.290 -1.176 3.207 1.00 1.00 C ATOM 4 O SER A 135 2.276 -1.774 3.633 1.00 1.00 O ATOM 5 CB SER A 135 0.015 -0.913 5.331 1.00 1.00 C ATOM 6 OG SER A 135 0.656 -1.889 6.147 1.00 1.00 O ATOM 0 HA SER A 135 -0.800 -0.778 3.299 1.00 1.00 H new ATOM 0 HB2 SER A 135 0.564 0.027 5.390 1.00 1.00 H new ATOM 0 HB3 SER A 135 -0.987 -0.721 5.715 1.00 1.00 H new ATOM 0 HG SER A 135 0.495 -2.782 5.776 1.00 1.00 H new ATOM 14 N ARG A 136 1.304 -0.348 2.172 1.00 1.00 N ATOM 15 CA ARG A 136 2.391 -0.371 1.210 1.00 1.00 C ATOM 16 C ARG A 136 2.720 1.050 0.745 1.00 1.00 C ATOM 17 O ARG A 136 2.018 1.609 -0.097 1.00 1.00 O ATOM 18 CB ARG A 136 2.033 -1.227 -0.007 1.00 1.00 C ATOM 19 CG ARG A 136 3.198 -1.289 -0.996 1.00 1.00 C ATOM 20 CD ARG A 136 2.693 -1.241 -2.440 1.00 1.00 C ATOM 21 NE ARG A 136 2.101 0.085 -2.725 1.00 1.00 N ATOM 22 CZ ARG A 136 1.908 0.572 -3.958 1.00 1.00 C ATOM 23 NH1 ARG A 136 2.318 -0.125 -5.026 1.00 1.00 N ATOM 24 NH2 ARG A 136 1.304 1.757 -4.124 1.00 1.00 N ATOM 0 H ARG A 136 0.579 0.343 1.979 1.00 1.00 H new ATOM 0 HA ARG A 136 3.260 -0.806 1.704 1.00 1.00 H new ATOM 0 HB2 ARG A 136 1.772 -2.235 0.317 1.00 1.00 H new ATOM 0 HB3 ARG A 136 1.154 -0.813 -0.501 1.00 1.00 H new ATOM 0 HG2 ARG A 136 3.877 -0.456 -0.816 1.00 1.00 H new ATOM 0 HG3 ARG A 136 3.767 -2.205 -0.836 1.00 1.00 H new ATOM 0 HD2 ARG A 136 3.515 -1.437 -3.128 1.00 1.00 H new ATOM 0 HD3 ARG A 136 1.950 -2.022 -2.600 1.00 1.00 H new ATOM 0 HE ARG A 136 1.822 0.664 -1.933 1.00 1.00 H new ATOM 0 HH11 ARG A 136 2.777 -1.027 -4.901 1.00 1.00 H new ATOM 0 HH12 ARG A 136 2.171 0.246 -5.965 1.00 1.00 H new ATOM 0 HH21 ARG A 136 0.991 2.288 -3.311 1.00 1.00 H new ATOM 0 HH22 ARG A 136 1.157 2.128 -5.063 1.00 1.00 H new ATOM 38 N PRO A 137 3.813 1.607 1.330 1.00 1.00 N ATOM 39 CA PRO A 137 4.290 2.920 0.928 1.00 1.00 C ATOM 40 C PRO A 137 5.002 2.854 -0.425 1.00 1.00 C ATOM 41 O PRO A 137 5.533 1.809 -0.801 1.00 1.00 O ATOM 42 CB PRO A 137 5.201 3.371 2.058 1.00 1.00 C ATOM 43 CG PRO A 137 5.568 2.112 2.824 1.00 1.00 C ATOM 44 CD PRO A 137 4.624 1.005 2.384 1.00 1.00 C ATOM 0 HA PRO A 137 3.480 3.634 0.779 1.00 1.00 H new ATOM 0 HB2 PRO A 137 6.091 3.865 1.669 1.00 1.00 H new ATOM 0 HB3 PRO A 137 4.696 4.088 2.705 1.00 1.00 H new ATOM 0 HG2 PRO A 137 6.603 1.832 2.625 1.00 1.00 H new ATOM 0 HG3 PRO A 137 5.484 2.281 3.898 1.00 1.00 H new ATOM 0 HD2 PRO A 137 5.174 0.139 2.015 1.00 1.00 H new ATOM 0 HD3 PRO A 137 4.005 0.660 3.212 1.00 1.00 H new ATOM 52 N LEU A 138 4.992 3.982 -1.119 1.00 1.00 N ATOM 53 CA LEU A 138 5.628 4.065 -2.423 1.00 1.00 C ATOM 54 C LEU A 138 6.047 5.512 -2.691 1.00 1.00 C ATOM 55 O LEU A 138 6.177 5.921 -3.843 1.00 1.00 O ATOM 56 CB LEU A 138 4.716 3.479 -3.502 1.00 1.00 C ATOM 57 CG LEU A 138 5.414 2.960 -4.761 1.00 1.00 C ATOM 58 CD1 LEU A 138 6.053 1.594 -4.510 1.00 1.00 C ATOM 59 CD2 LEU A 138 4.451 2.933 -5.950 1.00 1.00 C ATOM 0 H LEU A 138 4.553 4.847 -0.803 1.00 1.00 H new ATOM 0 HA LEU A 138 6.535 3.462 -2.443 1.00 1.00 H new ATOM 0 HB2 LEU A 138 4.146 2.660 -3.063 1.00 1.00 H new ATOM 0 HB3 LEU A 138 3.998 4.244 -3.798 1.00 1.00 H new ATOM 0 HG LEU A 138 6.219 3.650 -5.014 1.00 1.00 H new ATOM 0 HD11 LEU A 138 6.542 1.248 -5.421 1.00 1.00 H new ATOM 0 HD12 LEU A 138 6.790 1.678 -3.712 1.00 1.00 H new ATOM 0 HD13 LEU A 138 5.283 0.880 -4.218 1.00 1.00 H new ATOM 0 HD21 LEU A 138 4.972 2.560 -6.832 1.00 1.00 H new ATOM 0 HD22 LEU A 138 3.610 2.279 -5.722 1.00 1.00 H new ATOM 0 HD23 LEU A 138 4.084 3.941 -6.144 1.00 1.00 H new ATOM 71 N ILE A 139 6.246 6.247 -1.606 1.00 1.00 N ATOM 72 CA ILE A 139 5.566 7.518 -1.428 1.00 1.00 C ATOM 73 C ILE A 139 4.146 7.415 -1.988 1.00 1.00 C ATOM 74 O ILE A 139 3.961 7.207 -3.186 1.00 1.00 O ATOM 75 CB ILE A 139 6.387 8.656 -2.039 1.00 1.00 C ATOM 76 CG1 ILE A 139 7.837 8.607 -1.554 1.00 1.00 C ATOM 77 CG2 ILE A 139 5.735 10.012 -1.763 1.00 1.00 C ATOM 78 CD1 ILE A 139 7.913 8.768 -0.034 1.00 1.00 C ATOM 0 H ILE A 139 6.869 5.986 -0.842 1.00 1.00 H new ATOM 0 HA ILE A 139 5.475 7.755 -0.368 1.00 1.00 H new ATOM 0 HB ILE A 139 6.405 8.522 -3.121 1.00 1.00 H new ATOM 0 HG12 ILE A 139 8.290 7.660 -1.846 1.00 1.00 H new ATOM 0 HG13 ILE A 139 8.412 9.397 -2.036 1.00 1.00 H new ATOM 0 HG21 ILE A 139 6.338 10.803 -2.208 1.00 1.00 H new ATOM 0 HG22 ILE A 139 4.735 10.030 -2.197 1.00 1.00 H new ATOM 0 HG23 ILE A 139 5.666 10.170 -0.687 1.00 1.00 H new ATOM 0 HD11 ILE A 139 8.955 8.729 0.284 1.00 1.00 H new ATOM 0 HD12 ILE A 139 7.481 9.727 0.252 1.00 1.00 H new ATOM 0 HD13 ILE A 139 7.357 7.962 0.445 1.00 1.00 H new ATOM 90 N HIS A 140 3.180 7.565 -1.094 1.00 1.00 N ATOM 91 CA HIS A 140 1.796 7.277 -1.433 1.00 1.00 C ATOM 92 C HIS A 140 0.866 8.087 -0.528 1.00 1.00 C ATOM 93 O HIS A 140 -0.111 7.557 -0.002 1.00 1.00 O ATOM 94 CB HIS A 140 1.522 5.773 -1.370 1.00 1.00 C ATOM 95 CG HIS A 140 1.387 5.231 0.033 1.00 1.00 C ATOM 96 ND1 HIS A 140 0.637 4.108 0.334 1.00 1.00 N ATOM 97 CD2 HIS A 140 1.914 5.671 1.212 1.00 1.00 C ATOM 98 CE1 HIS A 140 0.716 3.890 1.639 1.00 1.00 C ATOM 99 NE2 HIS A 140 1.507 4.860 2.181 1.00 1.00 N ATOM 0 H HIS A 140 3.328 7.882 -0.136 1.00 1.00 H new ATOM 0 HA HIS A 140 1.600 7.580 -2.461 1.00 1.00 H new ATOM 0 HB2 HIS A 140 0.607 5.558 -1.921 1.00 1.00 H new ATOM 0 HB3 HIS A 140 2.331 5.245 -1.876 1.00 1.00 H new ATOM 0 HD2 HIS A 140 2.553 6.532 1.336 1.00 1.00 H new ATOM 0 HE1 HIS A 140 0.238 3.086 2.178 1.00 1.00 H new ATOM 0 HE2 HIS A 140 1.746 4.948 3.169 1.00 1.00 H new ATOM 108 N PHE A 141 1.204 9.359 -0.373 1.00 1.00 N ATOM 109 CA PHE A 141 0.341 10.281 0.346 1.00 1.00 C ATOM 110 C PHE A 141 -1.133 9.929 0.135 1.00 1.00 C ATOM 111 O PHE A 141 -1.596 9.836 -1.000 1.00 1.00 O ATOM 112 CB PHE A 141 0.606 11.676 -0.222 1.00 1.00 C ATOM 113 CG PHE A 141 1.948 12.276 0.202 1.00 1.00 C ATOM 114 CD1 PHE A 141 2.136 12.685 1.486 1.00 1.00 C ATOM 115 CD2 PHE A 141 2.954 12.400 -0.704 1.00 1.00 C ATOM 116 CE1 PHE A 141 3.381 13.242 1.879 1.00 1.00 C ATOM 117 CE2 PHE A 141 4.200 12.957 -0.311 1.00 1.00 C ATOM 118 CZ PHE A 141 4.387 13.366 0.973 1.00 1.00 C ATOM 0 H PHE A 141 2.064 9.773 -0.733 1.00 1.00 H new ATOM 0 HA PHE A 141 0.550 10.230 1.415 1.00 1.00 H new ATOM 0 HB2 PHE A 141 0.569 11.627 -1.310 1.00 1.00 H new ATOM 0 HB3 PHE A 141 -0.195 12.344 0.094 1.00 1.00 H new ATOM 0 HD1 PHE A 141 1.338 12.586 2.206 1.00 1.00 H new ATOM 0 HD2 PHE A 141 2.806 12.075 -1.723 1.00 1.00 H new ATOM 0 HE1 PHE A 141 3.529 13.567 2.898 1.00 1.00 H new ATOM 0 HE2 PHE A 141 4.999 13.056 -1.031 1.00 1.00 H new ATOM 0 HZ PHE A 141 5.334 13.789 1.273 1.00 1.00 H new ATOM 128 N GLY A 142 -1.828 9.742 1.247 1.00 1.00 N ATOM 129 CA GLY A 142 -1.202 9.196 2.439 1.00 1.00 C ATOM 130 C GLY A 142 -2.226 8.462 3.308 1.00 1.00 C ATOM 131 O GLY A 142 -2.383 8.776 4.487 1.00 1.00 O ATOM 0 H GLY A 142 -2.820 9.959 1.348 1.00 1.00 H new ATOM 0 HA2 GLY A 142 -0.404 8.511 2.154 1.00 1.00 H new ATOM 0 HA3 GLY A 142 -0.742 10.000 3.013 1.00 1.00 H new ATOM 135 N ASN A 143 -2.895 7.498 2.692 1.00 1.00 N ATOM 136 CA ASN A 143 -4.085 6.915 3.289 1.00 1.00 C ATOM 137 C ASN A 143 -4.123 5.417 2.980 1.00 1.00 C ATOM 138 O ASN A 143 -5.079 4.730 3.338 1.00 1.00 O ATOM 139 CB ASN A 143 -5.354 7.548 2.715 1.00 1.00 C ATOM 140 CG ASN A 143 -6.399 7.770 3.810 1.00 1.00 C ATOM 141 OD1 ASN A 143 -6.746 8.887 4.155 1.00 1.00 O ATOM 142 ND2 ASN A 143 -6.880 6.647 4.334 1.00 1.00 N ATOM 0 H ASN A 143 -2.636 7.106 1.786 1.00 1.00 H new ATOM 0 HA ASN A 143 -4.046 7.094 4.364 1.00 1.00 H new ATOM 0 HB2 ASN A 143 -5.109 8.499 2.243 1.00 1.00 H new ATOM 0 HB3 ASN A 143 -5.767 6.904 1.938 1.00 1.00 H new ATOM 0 HD21 ASN A 143 -7.583 6.689 5.071 1.00 1.00 H new ATOM 0 HD22 ASN A 143 -6.546 5.744 3.999 1.00 1.00 H new ATOM 149 N ASP A 144 -3.072 4.954 2.320 1.00 1.00 N ATOM 150 CA ASP A 144 -2.841 3.526 2.185 1.00 1.00 C ATOM 151 C ASP A 144 -4.015 2.893 1.435 1.00 1.00 C ATOM 152 O ASP A 144 -4.663 1.982 1.946 1.00 1.00 O ATOM 153 CB ASP A 144 -2.739 2.854 3.556 1.00 1.00 C ATOM 154 CG ASP A 144 -2.033 1.496 3.559 1.00 1.00 C ATOM 155 OD1 ASP A 144 -0.895 1.447 3.045 1.00 1.00 O ATOM 156 OD2 ASP A 144 -2.649 0.538 4.075 1.00 1.00 O ATOM 0 H ASP A 144 -2.370 5.543 1.872 1.00 1.00 H new ATOM 0 HA ASP A 144 -1.906 3.385 1.643 1.00 1.00 H new ATOM 0 HB2 ASP A 144 -2.209 3.524 4.234 1.00 1.00 H new ATOM 0 HB3 ASP A 144 -3.744 2.725 3.957 1.00 1.00 H new ATOM 161 N TYR A 145 -4.251 3.402 0.234 1.00 1.00 N ATOM 162 CA TYR A 145 -5.462 3.067 -0.495 1.00 1.00 C ATOM 163 C TYR A 145 -5.132 2.400 -1.832 1.00 1.00 C ATOM 164 O TYR A 145 -5.993 1.776 -2.448 1.00 1.00 O ATOM 165 CB TYR A 145 -6.172 4.395 -0.764 1.00 1.00 C ATOM 166 CG TYR A 145 -5.281 5.457 -1.410 1.00 1.00 C ATOM 167 CD1 TYR A 145 -4.453 6.235 -0.626 1.00 1.00 C ATOM 168 CD2 TYR A 145 -5.307 5.640 -2.778 1.00 1.00 C ATOM 169 CE1 TYR A 145 -3.614 7.235 -1.234 1.00 1.00 C ATOM 170 CE2 TYR A 145 -4.468 6.640 -3.387 1.00 1.00 C ATOM 171 CZ TYR A 145 -3.663 7.388 -2.585 1.00 1.00 C ATOM 172 OH TYR A 145 -2.871 8.332 -3.159 1.00 1.00 O ATOM 0 H TYR A 145 -3.624 4.043 -0.252 1.00 1.00 H new ATOM 0 HA TYR A 145 -6.075 2.372 0.079 1.00 1.00 H new ATOM 0 HB2 TYR A 145 -7.030 4.212 -1.412 1.00 1.00 H new ATOM 0 HB3 TYR A 145 -6.560 4.785 0.177 1.00 1.00 H new ATOM 0 HD1 TYR A 145 -4.434 6.094 0.445 1.00 1.00 H new ATOM 0 HD2 TYR A 145 -5.956 5.033 -3.392 1.00 1.00 H new ATOM 0 HE1 TYR A 145 -2.961 7.849 -0.632 1.00 1.00 H new ATOM 0 HE2 TYR A 145 -4.478 6.793 -4.456 1.00 1.00 H new ATOM 0 HH TYR A 145 -2.416 8.846 -2.460 1.00 1.00 H new ATOM 182 N GLU A 146 -3.880 2.553 -2.240 1.00 1.00 N ATOM 183 CA GLU A 146 -3.362 1.795 -3.365 1.00 1.00 C ATOM 184 C GLU A 146 -2.791 0.458 -2.887 1.00 1.00 C ATOM 185 O GLU A 146 -2.304 -0.336 -3.690 1.00 1.00 O ATOM 186 CB GLU A 146 -2.307 2.599 -4.128 1.00 1.00 C ATOM 187 CG GLU A 146 -1.986 3.909 -3.405 1.00 1.00 C ATOM 188 CD GLU A 146 -1.208 3.647 -2.114 1.00 1.00 C ATOM 189 OE1 GLU A 146 -0.067 3.152 -2.230 1.00 1.00 O ATOM 190 OE2 GLU A 146 -1.774 3.947 -1.041 1.00 1.00 O ATOM 0 H GLU A 146 -3.210 3.191 -1.811 1.00 1.00 H new ATOM 0 HA GLU A 146 -4.185 1.592 -4.051 1.00 1.00 H new ATOM 0 HB2 GLU A 146 -1.399 2.006 -4.233 1.00 1.00 H new ATOM 0 HB3 GLU A 146 -2.666 2.814 -5.135 1.00 1.00 H new ATOM 0 HG2 GLU A 146 -1.403 4.556 -4.060 1.00 1.00 H new ATOM 0 HG3 GLU A 146 -2.911 4.438 -3.175 1.00 1.00 H new ATOM 197 N ASP A 147 -2.872 0.249 -1.581 1.00 1.00 N ATOM 198 CA ASP A 147 -2.185 -0.868 -0.957 1.00 1.00 C ATOM 199 C ASP A 147 -2.845 -2.177 -1.398 1.00 1.00 C ATOM 200 O ASP A 147 -2.158 -3.144 -1.722 1.00 1.00 O ATOM 201 CB ASP A 147 -2.270 -0.786 0.569 1.00 1.00 C ATOM 202 CG ASP A 147 -1.855 -2.059 1.308 1.00 1.00 C ATOM 203 OD1 ASP A 147 -0.654 -2.395 1.231 1.00 1.00 O ATOM 204 OD2 ASP A 147 -2.749 -2.668 1.935 1.00 1.00 O ATOM 0 H ASP A 147 -3.404 0.835 -0.938 1.00 1.00 H new ATOM 0 HA ASP A 147 -1.139 -0.833 -1.261 1.00 1.00 H new ATOM 0 HB2 ASP A 147 -1.640 0.036 0.909 1.00 1.00 H new ATOM 0 HB3 ASP A 147 -3.294 -0.539 0.848 1.00 1.00 H new ATOM 209 N ARG A 148 -4.169 -2.164 -1.395 1.00 1.00 N ATOM 210 CA ARG A 148 -4.930 -3.396 -1.285 1.00 1.00 C ATOM 211 C ARG A 148 -4.717 -4.264 -2.528 1.00 1.00 C ATOM 212 O ARG A 148 -5.004 -5.461 -2.512 1.00 1.00 O ATOM 213 CB ARG A 148 -6.424 -3.111 -1.121 1.00 1.00 C ATOM 214 CG ARG A 148 -6.666 -2.083 -0.013 1.00 1.00 C ATOM 215 CD ARG A 148 -6.281 -2.651 1.355 1.00 1.00 C ATOM 216 NE ARG A 148 -6.722 -1.731 2.427 1.00 1.00 N ATOM 217 CZ ARG A 148 -5.911 -0.872 3.061 1.00 1.00 C ATOM 218 NH1 ARG A 148 -4.584 -1.047 3.015 1.00 1.00 N ATOM 219 NH2 ARG A 148 -6.429 0.161 3.741 1.00 1.00 N ATOM 0 H ARG A 148 -4.735 -1.319 -1.467 1.00 1.00 H new ATOM 0 HA ARG A 148 -4.575 -3.926 -0.401 1.00 1.00 H new ATOM 0 HB2 ARG A 148 -6.833 -2.741 -2.061 1.00 1.00 H new ATOM 0 HB3 ARG A 148 -6.951 -4.036 -0.886 1.00 1.00 H new ATOM 0 HG2 ARG A 148 -6.085 -1.183 -0.214 1.00 1.00 H new ATOM 0 HG3 ARG A 148 -7.716 -1.790 -0.007 1.00 1.00 H new ATOM 0 HD2 ARG A 148 -6.739 -3.630 1.493 1.00 1.00 H new ATOM 0 HD3 ARG A 148 -5.202 -2.794 1.408 1.00 1.00 H new ATOM 0 HE ARG A 148 -7.704 -1.752 2.701 1.00 1.00 H new ATOM 0 HH11 ARG A 148 -4.191 -1.833 2.498 1.00 1.00 H new ATOM 0 HH12 ARG A 148 -3.966 -0.394 3.497 1.00 1.00 H new ATOM 0 HH21 ARG A 148 -7.440 0.293 3.776 1.00 1.00 H new ATOM 0 HH22 ARG A 148 -5.812 0.815 4.223 1.00 1.00 H new ATOM 233 N TYR A 149 -4.218 -3.627 -3.577 1.00 1.00 N ATOM 234 CA TYR A 149 -3.919 -4.335 -4.810 1.00 1.00 C ATOM 235 C TYR A 149 -2.545 -5.005 -4.738 1.00 1.00 C ATOM 236 O TYR A 149 -2.372 -6.126 -5.212 1.00 1.00 O ATOM 237 CB TYR A 149 -3.897 -3.273 -5.911 1.00 1.00 C ATOM 238 CG TYR A 149 -4.992 -2.213 -5.775 1.00 1.00 C ATOM 239 CD1 TYR A 149 -6.285 -2.591 -5.474 1.00 1.00 C ATOM 240 CD2 TYR A 149 -4.689 -0.879 -5.955 1.00 1.00 C ATOM 241 CE1 TYR A 149 -7.316 -1.594 -5.346 1.00 1.00 C ATOM 242 CE2 TYR A 149 -5.719 0.119 -5.827 1.00 1.00 C ATOM 243 CZ TYR A 149 -6.982 -0.288 -5.529 1.00 1.00 C ATOM 244 OH TYR A 149 -7.956 0.654 -5.408 1.00 1.00 O ATOM 0 H TYR A 149 -4.013 -2.628 -3.598 1.00 1.00 H new ATOM 0 HA TYR A 149 -4.659 -5.114 -4.994 1.00 1.00 H new ATOM 0 HB2 TYR A 149 -2.925 -2.779 -5.906 1.00 1.00 H new ATOM 0 HB3 TYR A 149 -4.000 -3.765 -6.878 1.00 1.00 H new ATOM 0 HD1 TYR A 149 -6.523 -3.635 -5.334 1.00 1.00 H new ATOM 0 HD2 TYR A 149 -3.678 -0.583 -6.192 1.00 1.00 H new ATOM 0 HE1 TYR A 149 -8.331 -1.877 -5.110 1.00 1.00 H new ATOM 0 HE2 TYR A 149 -5.494 1.166 -5.964 1.00 1.00 H new ATOM 0 HH TYR A 149 -7.573 1.542 -5.564 1.00 1.00 H new ATOM 254 N TYR A 150 -1.603 -4.289 -4.141 1.00 1.00 N ATOM 255 CA TYR A 150 -0.197 -4.612 -4.310 1.00 1.00 C ATOM 256 C TYR A 150 0.484 -4.824 -2.957 1.00 1.00 C ATOM 257 O TYR A 150 1.616 -4.389 -2.752 1.00 1.00 O ATOM 258 CB TYR A 150 0.434 -3.400 -5.001 1.00 1.00 C ATOM 259 CG TYR A 150 -0.296 -2.959 -6.270 1.00 1.00 C ATOM 260 CD1 TYR A 150 -0.782 -3.903 -7.152 1.00 1.00 C ATOM 261 CD2 TYR A 150 -0.468 -1.614 -6.535 1.00 1.00 C ATOM 262 CE1 TYR A 150 -1.468 -3.486 -8.347 1.00 1.00 C ATOM 263 CE2 TYR A 150 -1.155 -1.198 -7.730 1.00 1.00 C ATOM 264 CZ TYR A 150 -1.621 -2.154 -8.577 1.00 1.00 C ATOM 265 OH TYR A 150 -2.269 -1.761 -9.705 1.00 1.00 O ATOM 0 H TYR A 150 -1.787 -3.486 -3.539 1.00 1.00 H new ATOM 0 HA TYR A 150 -0.081 -5.530 -4.886 1.00 1.00 H new ATOM 0 HB2 TYR A 150 0.458 -2.566 -4.299 1.00 1.00 H new ATOM 0 HB3 TYR A 150 1.468 -3.635 -5.252 1.00 1.00 H new ATOM 0 HD1 TYR A 150 -0.648 -4.955 -6.946 1.00 1.00 H new ATOM 0 HD2 TYR A 150 -0.087 -0.875 -5.846 1.00 1.00 H new ATOM 0 HE1 TYR A 150 -1.853 -4.215 -9.045 1.00 1.00 H new ATOM 0 HE2 TYR A 150 -1.297 -0.150 -7.949 1.00 1.00 H new ATOM 0 HH TYR A 150 -2.305 -0.782 -9.737 1.00 1.00 H new ATOM 275 N ARG A 151 -0.234 -5.494 -2.068 1.00 1.00 N ATOM 276 CA ARG A 151 0.076 -5.425 -0.650 1.00 1.00 C ATOM 277 C ARG A 151 1.082 -6.514 -0.272 1.00 1.00 C ATOM 278 O ARG A 151 0.967 -7.130 0.787 1.00 1.00 O ATOM 279 CB ARG A 151 -1.187 -5.590 0.199 1.00 1.00 C ATOM 280 CG ARG A 151 -2.010 -6.791 -0.271 1.00 1.00 C ATOM 281 CD ARG A 151 -1.944 -7.932 0.746 1.00 1.00 C ATOM 282 NE ARG A 151 -1.072 -9.013 0.237 1.00 1.00 N ATOM 283 CZ ARG A 151 -0.620 -10.029 0.986 1.00 1.00 C ATOM 284 NH1 ARG A 151 -1.025 -10.157 2.257 1.00 1.00 N ATOM 285 NH2 ARG A 151 0.236 -10.918 0.463 1.00 1.00 N ATOM 0 H ARG A 151 -1.030 -6.088 -2.302 1.00 1.00 H new ATOM 0 HA ARG A 151 0.507 -4.444 -0.453 1.00 1.00 H new ATOM 0 HB2 ARG A 151 -0.912 -5.720 1.246 1.00 1.00 H new ATOM 0 HB3 ARG A 151 -1.791 -4.685 0.139 1.00 1.00 H new ATOM 0 HG2 ARG A 151 -3.047 -6.490 -0.419 1.00 1.00 H new ATOM 0 HG3 ARG A 151 -1.638 -7.137 -1.235 1.00 1.00 H new ATOM 0 HD2 ARG A 151 -1.560 -7.561 1.697 1.00 1.00 H new ATOM 0 HD3 ARG A 151 -2.945 -8.320 0.936 1.00 1.00 H new ATOM 0 HE ARG A 151 -0.797 -8.984 -0.745 1.00 1.00 H new ATOM 0 HH11 ARG A 151 -1.677 -9.481 2.655 1.00 1.00 H new ATOM 0 HH12 ARG A 151 -0.681 -10.930 2.826 1.00 1.00 H new ATOM 0 HH21 ARG A 151 0.543 -10.822 -0.505 1.00 1.00 H new ATOM 0 HH22 ARG A 151 0.580 -11.691 1.033 1.00 1.00 H new ATOM 299 N GLU A 152 2.044 -6.720 -1.160 1.00 1.00 N ATOM 300 CA GLU A 152 2.928 -7.868 -1.053 1.00 1.00 C ATOM 301 C GLU A 152 4.160 -7.514 -0.218 1.00 1.00 C ATOM 302 O GLU A 152 5.285 -7.826 -0.602 1.00 1.00 O ATOM 303 CB GLU A 152 3.332 -8.379 -2.438 1.00 1.00 C ATOM 304 CG GLU A 152 2.101 -8.647 -3.305 1.00 1.00 C ATOM 305 CD GLU A 152 1.008 -9.355 -2.501 1.00 1.00 C ATOM 306 OE1 GLU A 152 1.283 -10.485 -2.042 1.00 1.00 O ATOM 307 OE2 GLU A 152 -0.078 -8.750 -2.363 1.00 1.00 O ATOM 0 H GLU A 152 2.230 -6.111 -1.957 1.00 1.00 H new ATOM 0 HA GLU A 152 2.390 -8.670 -0.548 1.00 1.00 H new ATOM 0 HB2 GLU A 152 3.973 -7.646 -2.927 1.00 1.00 H new ATOM 0 HB3 GLU A 152 3.915 -9.294 -2.336 1.00 1.00 H new ATOM 0 HG2 GLU A 152 1.717 -7.706 -3.698 1.00 1.00 H new ATOM 0 HG3 GLU A 152 2.382 -9.259 -4.162 1.00 1.00 H new ATOM 314 N ASN A 153 3.904 -6.867 0.910 1.00 1.00 N ATOM 315 CA ASN A 153 4.931 -6.695 1.923 1.00 1.00 C ATOM 316 C ASN A 153 4.323 -6.930 3.306 1.00 1.00 C ATOM 317 O ASN A 153 4.837 -6.434 4.307 1.00 1.00 O ATOM 318 CB ASN A 153 5.501 -5.275 1.892 1.00 1.00 C ATOM 319 CG ASN A 153 4.392 -4.235 2.061 1.00 1.00 C ATOM 320 OD1 ASN A 153 3.816 -3.744 1.104 1.00 1.00 O ATOM 321 ND2 ASN A 153 4.125 -3.928 3.327 1.00 1.00 N ATOM 0 H ASN A 153 3.000 -6.456 1.144 1.00 1.00 H new ATOM 0 HA ASN A 153 5.729 -7.409 1.719 1.00 1.00 H new ATOM 0 HB2 ASN A 153 6.238 -5.158 2.686 1.00 1.00 H new ATOM 0 HB3 ASN A 153 6.020 -5.108 0.948 1.00 1.00 H new ATOM 0 HD21 ASN A 153 3.400 -3.244 3.544 1.00 1.00 H new ATOM 0 HD22 ASN A 153 4.645 -4.377 4.081 1.00 1.00 H new ATOM 328 N MET A 154 3.235 -7.687 3.318 1.00 1.00 N ATOM 329 CA MET A 154 2.424 -7.813 4.516 1.00 1.00 C ATOM 330 C MET A 154 1.853 -9.226 4.647 1.00 1.00 C ATOM 331 O MET A 154 1.797 -9.970 3.668 1.00 1.00 O ATOM 332 CB MET A 154 1.278 -6.801 4.465 1.00 1.00 C ATOM 333 CG MET A 154 0.809 -6.431 5.874 1.00 1.00 C ATOM 334 SD MET A 154 -0.578 -5.311 5.781 1.00 1.00 S ATOM 335 CE MET A 154 -1.885 -6.467 5.405 1.00 1.00 C ATOM 0 H MET A 154 2.897 -8.219 2.516 1.00 1.00 H new ATOM 0 HA MET A 154 3.056 -7.616 5.382 1.00 1.00 H new ATOM 0 HB2 MET A 154 1.604 -5.904 3.939 1.00 1.00 H new ATOM 0 HB3 MET A 154 0.445 -7.218 3.898 1.00 1.00 H new ATOM 0 HG2 MET A 154 0.525 -7.331 6.420 1.00 1.00 H new ATOM 0 HG3 MET A 154 1.625 -5.967 6.428 1.00 1.00 H new ATOM 0 HE1 MET A 154 -2.850 -5.970 5.504 1.00 1.00 H new ATOM 0 HE2 MET A 154 -1.767 -6.830 4.384 1.00 1.00 H new ATOM 0 HE3 MET A 154 -1.837 -7.308 6.097 1.00 1.00 H new ATOM 345 N TYR A 155 1.443 -9.555 5.863 1.00 1.00 N ATOM 346 CA TYR A 155 0.596 -10.715 6.079 1.00 1.00 C ATOM 347 C TYR A 155 -0.629 -10.678 5.162 1.00 1.00 C ATOM 348 O TYR A 155 -1.291 -9.617 5.142 1.00 1.00 O ATOM 349 CB TYR A 155 0.131 -10.633 7.534 1.00 1.00 C ATOM 350 CG TYR A 155 1.273 -10.529 8.547 1.00 1.00 C ATOM 351 CD1 TYR A 155 2.191 -11.554 8.660 1.00 1.00 C ATOM 352 CD2 TYR A 155 1.386 -9.410 9.347 1.00 1.00 C ATOM 353 CE1 TYR A 155 3.266 -11.456 9.613 1.00 1.00 C ATOM 354 CE2 TYR A 155 2.460 -9.312 10.301 1.00 1.00 C ATOM 355 CZ TYR A 155 3.348 -10.339 10.386 1.00 1.00 C ATOM 356 OH TYR A 155 4.362 -10.247 11.287 1.00 1.00 O ATOM 357 OXT TYR A 155 -0.877 -11.711 4.504 1.00 1.00 O ATOM 0 H TYR A 155 1.682 -9.038 6.709 1.00 1.00 H new ATOM 0 HA TYR A 155 1.142 -11.634 5.866 1.00 1.00 H new ATOM 0 HB2 TYR A 155 -0.522 -9.768 7.648 1.00 1.00 H new ATOM 0 HB3 TYR A 155 -0.466 -11.515 7.764 1.00 1.00 H new ATOM 0 HD1 TYR A 155 2.103 -12.429 8.034 1.00 1.00 H new ATOM 0 HD2 TYR A 155 0.669 -8.608 9.257 1.00 1.00 H new ATOM 0 HE1 TYR A 155 3.991 -12.251 9.712 1.00 1.00 H new ATOM 0 HE2 TYR A 155 2.558 -8.443 10.935 1.00 1.00 H new ATOM 0 HH TYR A 155 4.296 -9.396 11.768 1.00 1.00 H new