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 24:sc= 1.25 USER MOD Single : A 140 HIS : no HE2:sc= -2.52 K(o=-2.5,f=-5.7!) USER MOD Single : A 143 ASN : amide:sc= 0.891 K(o=0.89,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= -0.0279 K(o=-0.028,f=0.55) USER MOD Single : A 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 135 1.357 -1.972 1.852 1.00 1.00 N ATOM 2 CA SER A 135 1.987 -0.670 1.991 1.00 1.00 C ATOM 3 C SER A 135 3.022 -0.439 0.887 1.00 1.00 C ATOM 4 O SER A 135 3.941 -1.238 0.718 1.00 1.00 O ATOM 5 CB SER A 135 2.699 -0.688 3.345 1.00 1.00 C ATOM 6 OG SER A 135 3.404 0.525 3.594 1.00 1.00 O ATOM 0 HA SER A 135 1.244 0.124 1.919 1.00 1.00 H new ATOM 0 HB2 SER A 135 1.968 -0.851 4.137 1.00 1.00 H new ATOM 0 HB3 SER A 135 3.396 -1.525 3.377 1.00 1.00 H new ATOM 0 HG SER A 135 3.007 1.249 3.066 1.00 1.00 H new ATOM 14 N ARG A 136 2.837 0.656 0.166 1.00 1.00 N ATOM 15 CA ARG A 136 3.688 0.955 -0.972 1.00 1.00 C ATOM 16 C ARG A 136 3.722 2.464 -1.228 1.00 1.00 C ATOM 17 O ARG A 136 2.677 3.093 -1.388 1.00 1.00 O ATOM 18 CB ARG A 136 3.195 0.242 -2.232 1.00 1.00 C ATOM 19 CG ARG A 136 4.257 0.279 -3.335 1.00 1.00 C ATOM 20 CD ARG A 136 5.405 -0.684 -3.023 1.00 1.00 C ATOM 21 NE ARG A 136 4.932 -2.083 -3.125 1.00 1.00 N ATOM 22 CZ ARG A 136 4.749 -2.732 -4.282 1.00 1.00 C ATOM 23 NH1 ARG A 136 4.918 -2.088 -5.445 1.00 1.00 N ATOM 24 NH2 ARG A 136 4.397 -4.025 -4.277 1.00 1.00 N ATOM 0 H ARG A 136 2.110 1.348 0.348 1.00 1.00 H new ATOM 0 HA ARG A 136 4.691 0.600 -0.737 1.00 1.00 H new ATOM 0 HB2 ARG A 136 2.947 -0.793 -1.995 1.00 1.00 H new ATOM 0 HB3 ARG A 136 2.280 0.715 -2.587 1.00 1.00 H new ATOM 0 HG2 ARG A 136 3.804 0.013 -4.290 1.00 1.00 H new ATOM 0 HG3 ARG A 136 4.645 1.292 -3.437 1.00 1.00 H new ATOM 0 HD2 ARG A 136 6.229 -0.518 -3.717 1.00 1.00 H new ATOM 0 HD3 ARG A 136 5.789 -0.493 -2.021 1.00 1.00 H new ATOM 0 HE ARG A 136 4.733 -2.584 -2.259 1.00 1.00 H new ATOM 0 HH11 ARG A 136 5.186 -1.104 -5.449 1.00 1.00 H new ATOM 0 HH12 ARG A 136 4.779 -2.582 -6.326 1.00 1.00 H new ATOM 0 HH21 ARG A 136 4.268 -4.515 -3.392 1.00 1.00 H new ATOM 0 HH22 ARG A 136 4.258 -4.519 -5.158 1.00 1.00 H new ATOM 38 N PRO A 137 4.966 3.014 -1.259 1.00 1.00 N ATOM 39 CA PRO A 137 5.156 4.411 -1.610 1.00 1.00 C ATOM 40 C PRO A 137 4.986 4.626 -3.115 1.00 1.00 C ATOM 41 O PRO A 137 5.628 3.953 -3.920 1.00 1.00 O ATOM 42 CB PRO A 137 6.553 4.753 -1.116 1.00 1.00 C ATOM 43 CG PRO A 137 7.266 3.424 -0.927 1.00 1.00 C ATOM 44 CD PRO A 137 6.217 2.323 -0.963 1.00 1.00 C ATOM 0 HA PRO A 137 4.414 5.065 -1.152 1.00 1.00 H new ATOM 0 HB2 PRO A 137 7.079 5.379 -1.836 1.00 1.00 H new ATOM 0 HB3 PRO A 137 6.511 5.310 -0.180 1.00 1.00 H new ATOM 0 HG2 PRO A 137 8.006 3.272 -1.713 1.00 1.00 H new ATOM 0 HG3 PRO A 137 7.802 3.410 0.022 1.00 1.00 H new ATOM 0 HD2 PRO A 137 6.449 1.580 -1.726 1.00 1.00 H new ATOM 0 HD3 PRO A 137 6.163 1.796 -0.010 1.00 1.00 H new ATOM 52 N LEU A 138 4.116 5.569 -3.451 1.00 1.00 N ATOM 53 CA LEU A 138 3.882 5.908 -4.844 1.00 1.00 C ATOM 54 C LEU A 138 4.074 7.414 -5.036 1.00 1.00 C ATOM 55 O LEU A 138 3.532 7.998 -5.973 1.00 1.00 O ATOM 56 CB LEU A 138 2.510 5.401 -5.296 1.00 1.00 C ATOM 57 CG LEU A 138 2.490 4.592 -6.595 1.00 1.00 C ATOM 58 CD1 LEU A 138 3.099 5.392 -7.749 1.00 1.00 C ATOM 59 CD2 LEU A 138 3.179 3.238 -6.409 1.00 1.00 C ATOM 0 H LEU A 138 3.566 6.108 -2.782 1.00 1.00 H new ATOM 0 HA LEU A 138 4.608 5.408 -5.485 1.00 1.00 H new ATOM 0 HB2 LEU A 138 2.092 4.784 -4.500 1.00 1.00 H new ATOM 0 HB3 LEU A 138 1.848 6.259 -5.415 1.00 1.00 H new ATOM 0 HG LEU A 138 1.451 4.391 -6.856 1.00 1.00 H new ATOM 0 HD11 LEU A 138 3.072 4.794 -8.660 1.00 1.00 H new ATOM 0 HD12 LEU A 138 2.527 6.307 -7.899 1.00 1.00 H new ATOM 0 HD13 LEU A 138 4.132 5.645 -7.511 1.00 1.00 H new ATOM 0 HD21 LEU A 138 3.151 2.683 -7.347 1.00 1.00 H new ATOM 0 HD22 LEU A 138 4.216 3.395 -6.111 1.00 1.00 H new ATOM 0 HD23 LEU A 138 2.662 2.670 -5.636 1.00 1.00 H new ATOM 71 N ILE A 139 4.847 8.000 -4.133 1.00 1.00 N ATOM 72 CA ILE A 139 4.334 9.061 -3.284 1.00 1.00 C ATOM 73 C ILE A 139 2.828 8.875 -3.097 1.00 1.00 C ATOM 74 O ILE A 139 2.059 9.008 -4.048 1.00 1.00 O ATOM 75 CB ILE A 139 4.719 10.430 -3.846 1.00 1.00 C ATOM 76 CG1 ILE A 139 6.205 10.475 -4.210 1.00 1.00 C ATOM 77 CG2 ILE A 139 4.333 11.550 -2.877 1.00 1.00 C ATOM 78 CD1 ILE A 139 7.078 10.190 -2.987 1.00 1.00 C ATOM 0 H ILE A 139 5.825 7.760 -3.971 1.00 1.00 H new ATOM 0 HA ILE A 139 4.787 9.010 -2.294 1.00 1.00 H new ATOM 0 HB ILE A 139 4.156 10.592 -4.765 1.00 1.00 H new ATOM 0 HG12 ILE A 139 6.414 9.742 -4.989 1.00 1.00 H new ATOM 0 HG13 ILE A 139 6.454 11.455 -4.618 1.00 1.00 H new ATOM 0 HG21 ILE A 139 4.618 12.513 -3.301 1.00 1.00 H new ATOM 0 HG22 ILE A 139 3.256 11.532 -2.710 1.00 1.00 H new ATOM 0 HG23 ILE A 139 4.850 11.404 -1.928 1.00 1.00 H new ATOM 0 HD11 ILE A 139 8.129 10.228 -3.273 1.00 1.00 H new ATOM 0 HD12 ILE A 139 6.884 10.939 -2.219 1.00 1.00 H new ATOM 0 HD13 ILE A 139 6.844 9.200 -2.596 1.00 1.00 H new ATOM 90 N HIS A 140 2.450 8.569 -1.865 1.00 1.00 N ATOM 91 CA HIS A 140 1.080 8.176 -1.578 1.00 1.00 C ATOM 92 C HIS A 140 0.493 9.102 -0.510 1.00 1.00 C ATOM 93 O HIS A 140 -0.016 8.636 0.509 1.00 1.00 O ATOM 94 CB HIS A 140 1.010 6.700 -1.185 1.00 1.00 C ATOM 95 CG HIS A 140 1.836 6.346 0.029 1.00 1.00 C ATOM 96 ND1 HIS A 140 2.134 5.041 0.381 1.00 1.00 N ATOM 97 CD2 HIS A 140 2.424 7.142 0.969 1.00 1.00 C ATOM 98 CE1 HIS A 140 2.868 5.062 1.484 1.00 1.00 C ATOM 99 NE2 HIS A 140 3.045 6.365 1.847 1.00 1.00 N ATOM 0 H HIS A 140 3.068 8.585 -1.054 1.00 1.00 H new ATOM 0 HA HIS A 140 0.472 8.283 -2.476 1.00 1.00 H new ATOM 0 HB2 HIS A 140 -0.030 6.435 -0.994 1.00 1.00 H new ATOM 0 HB3 HIS A 140 1.344 6.094 -2.028 1.00 1.00 H new ATOM 0 HD1 HIS A 140 1.839 4.205 -0.123 1.00 1.00 H new ATOM 0 HD2 HIS A 140 2.390 8.221 0.994 1.00 1.00 H new ATOM 0 HE1 HIS A 140 3.258 4.199 2.004 1.00 1.00 H new ATOM 108 N PHE A 141 0.585 10.397 -0.779 1.00 1.00 N ATOM 109 CA PHE A 141 -0.117 11.380 0.028 1.00 1.00 C ATOM 110 C PHE A 141 -1.442 10.819 0.548 1.00 1.00 C ATOM 111 O PHE A 141 -2.273 10.356 -0.231 1.00 1.00 O ATOM 112 CB PHE A 141 -0.406 12.578 -0.879 1.00 1.00 C ATOM 113 CG PHE A 141 0.630 13.699 -0.777 1.00 1.00 C ATOM 114 CD1 PHE A 141 1.958 13.404 -0.812 1.00 1.00 C ATOM 115 CD2 PHE A 141 0.224 14.992 -0.653 1.00 1.00 C ATOM 116 CE1 PHE A 141 2.919 14.444 -0.718 1.00 1.00 C ATOM 117 CE2 PHE A 141 1.186 16.032 -0.559 1.00 1.00 C ATOM 118 CZ PHE A 141 2.512 15.737 -0.593 1.00 1.00 C ATOM 0 H PHE A 141 1.135 10.787 -1.544 1.00 1.00 H new ATOM 0 HA PHE A 141 0.492 11.657 0.889 1.00 1.00 H new ATOM 0 HB2 PHE A 141 -0.455 12.235 -1.912 1.00 1.00 H new ATOM 0 HB3 PHE A 141 -1.388 12.981 -0.630 1.00 1.00 H new ATOM 0 HD1 PHE A 141 2.281 12.378 -0.911 1.00 1.00 H new ATOM 0 HD2 PHE A 141 -0.830 15.227 -0.626 1.00 1.00 H new ATOM 0 HE1 PHE A 141 3.973 14.210 -0.746 1.00 1.00 H new ATOM 0 HE2 PHE A 141 0.864 17.058 -0.460 1.00 1.00 H new ATOM 0 HZ PHE A 141 3.243 16.529 -0.521 1.00 1.00 H new ATOM 128 N GLY A 142 -1.596 10.877 1.863 1.00 1.00 N ATOM 129 CA GLY A 142 -0.483 10.616 2.760 1.00 1.00 C ATOM 130 C GLY A 142 -0.849 9.548 3.792 1.00 1.00 C ATOM 131 O GLY A 142 -0.685 9.759 4.993 1.00 1.00 O ATOM 0 H GLY A 142 -2.475 11.101 2.329 1.00 1.00 H new ATOM 0 HA2 GLY A 142 0.383 10.289 2.185 1.00 1.00 H new ATOM 0 HA3 GLY A 142 -0.198 11.537 3.269 1.00 1.00 H new ATOM 135 N ASN A 143 -1.337 8.425 3.287 1.00 1.00 N ATOM 136 CA ASN A 143 -2.141 7.526 4.098 1.00 1.00 C ATOM 137 C ASN A 143 -1.923 6.087 3.626 1.00 1.00 C ATOM 138 O ASN A 143 -2.318 5.141 4.306 1.00 1.00 O ATOM 139 CB ASN A 143 -3.631 7.847 3.964 1.00 1.00 C ATOM 140 CG ASN A 143 -4.351 7.681 5.303 1.00 1.00 C ATOM 141 OD1 ASN A 143 -4.925 8.609 5.849 1.00 1.00 O ATOM 142 ND2 ASN A 143 -4.287 6.449 5.802 1.00 1.00 N ATOM 0 H ASN A 143 -1.191 8.117 2.326 1.00 1.00 H new ATOM 0 HA ASN A 143 -1.838 7.648 5.138 1.00 1.00 H new ATOM 0 HB2 ASN A 143 -3.755 8.868 3.604 1.00 1.00 H new ATOM 0 HB3 ASN A 143 -4.083 7.190 3.221 1.00 1.00 H new ATOM 0 HD21 ASN A 143 -4.735 6.236 6.693 1.00 1.00 H new ATOM 0 HD22 ASN A 143 -3.790 5.718 5.293 1.00 1.00 H new ATOM 149 N ASP A 144 -1.295 5.967 2.465 1.00 1.00 N ATOM 150 CA ASP A 144 -0.937 4.662 1.940 1.00 1.00 C ATOM 151 C ASP A 144 -2.197 3.802 1.817 1.00 1.00 C ATOM 152 O ASP A 144 -2.254 2.698 2.356 1.00 1.00 O ATOM 153 CB ASP A 144 0.038 3.941 2.873 1.00 1.00 C ATOM 154 CG ASP A 144 0.909 2.877 2.203 1.00 1.00 C ATOM 155 OD1 ASP A 144 0.640 2.589 1.016 1.00 1.00 O ATOM 156 OD2 ASP A 144 1.823 2.375 2.891 1.00 1.00 O ATOM 0 H ASP A 144 -1.025 6.753 1.874 1.00 1.00 H new ATOM 0 HA ASP A 144 -0.465 4.808 0.968 1.00 1.00 H new ATOM 0 HB2 ASP A 144 0.689 4.682 3.336 1.00 1.00 H new ATOM 0 HB3 ASP A 144 -0.531 3.471 3.675 1.00 1.00 H new ATOM 161 N TYR A 145 -3.174 4.342 1.105 1.00 1.00 N ATOM 162 CA TYR A 145 -4.413 3.619 0.866 1.00 1.00 C ATOM 163 C TYR A 145 -4.204 2.496 -0.152 1.00 1.00 C ATOM 164 O TYR A 145 -5.117 1.714 -0.415 1.00 1.00 O ATOM 165 CB TYR A 145 -5.393 4.641 0.286 1.00 1.00 C ATOM 166 CG TYR A 145 -4.802 5.505 -0.831 1.00 1.00 C ATOM 167 CD1 TYR A 145 -4.702 5.003 -2.112 1.00 1.00 C ATOM 168 CD2 TYR A 145 -4.370 6.787 -0.555 1.00 1.00 C ATOM 169 CE1 TYR A 145 -4.147 5.816 -3.163 1.00 1.00 C ATOM 170 CE2 TYR A 145 -3.815 7.600 -1.606 1.00 1.00 C ATOM 171 CZ TYR A 145 -3.730 7.075 -2.858 1.00 1.00 C ATOM 172 OH TYR A 145 -3.206 7.844 -3.850 1.00 1.00 O ATOM 0 H TYR A 145 -3.134 5.271 0.686 1.00 1.00 H new ATOM 0 HA TYR A 145 -4.778 3.167 1.788 1.00 1.00 H new ATOM 0 HB2 TYR A 145 -6.266 4.114 -0.099 1.00 1.00 H new ATOM 0 HB3 TYR A 145 -5.742 5.291 1.089 1.00 1.00 H new ATOM 0 HD1 TYR A 145 -5.040 4.000 -2.327 1.00 1.00 H new ATOM 0 HD2 TYR A 145 -4.448 7.180 0.448 1.00 1.00 H new ATOM 0 HE1 TYR A 145 -4.064 5.435 -4.170 1.00 1.00 H new ATOM 0 HE2 TYR A 145 -3.474 8.605 -1.405 1.00 1.00 H new ATOM 0 HH TYR A 145 -2.952 8.718 -3.487 1.00 1.00 H new ATOM 182 N GLU A 146 -2.998 2.450 -0.697 1.00 1.00 N ATOM 183 CA GLU A 146 -2.676 1.473 -1.722 1.00 1.00 C ATOM 184 C GLU A 146 -2.274 0.143 -1.081 1.00 1.00 C ATOM 185 O GLU A 146 -1.860 -0.785 -1.774 1.00 1.00 O ATOM 186 CB GLU A 146 -1.571 1.990 -2.647 1.00 1.00 C ATOM 187 CG GLU A 146 -1.896 3.396 -3.155 1.00 1.00 C ATOM 188 CD GLU A 146 -0.724 3.977 -3.948 1.00 1.00 C ATOM 189 OE1 GLU A 146 -0.319 3.317 -4.929 1.00 1.00 O ATOM 190 OE2 GLU A 146 -0.258 5.068 -3.555 1.00 1.00 O ATOM 0 H GLU A 146 -2.231 3.074 -0.448 1.00 1.00 H new ATOM 0 HA GLU A 146 -3.566 1.308 -2.329 1.00 1.00 H new ATOM 0 HB2 GLU A 146 -0.621 2.003 -2.113 1.00 1.00 H new ATOM 0 HB3 GLU A 146 -1.452 1.312 -3.492 1.00 1.00 H new ATOM 0 HG2 GLU A 146 -2.785 3.362 -3.785 1.00 1.00 H new ATOM 0 HG3 GLU A 146 -2.127 4.047 -2.312 1.00 1.00 H new ATOM 197 N ASP A 147 -2.412 0.093 0.236 1.00 1.00 N ATOM 198 CA ASP A 147 -1.977 -1.070 0.990 1.00 1.00 C ATOM 199 C ASP A 147 -2.587 -2.331 0.373 1.00 1.00 C ATOM 200 O ASP A 147 -1.938 -3.374 0.312 1.00 1.00 O ATOM 201 CB ASP A 147 -2.438 -0.987 2.447 1.00 1.00 C ATOM 202 CG ASP A 147 -2.012 -2.162 3.328 1.00 1.00 C ATOM 203 OD1 ASP A 147 -0.787 -2.306 3.532 1.00 1.00 O ATOM 204 OD2 ASP A 147 -2.921 -2.891 3.780 1.00 1.00 O ATOM 0 H ASP A 147 -2.819 0.839 0.800 1.00 1.00 H new ATOM 0 HA ASP A 147 -0.888 -1.104 0.957 1.00 1.00 H new ATOM 0 HB2 ASP A 147 -2.050 -0.066 2.883 1.00 1.00 H new ATOM 0 HB3 ASP A 147 -3.525 -0.915 2.465 1.00 1.00 H new ATOM 209 N ARG A 148 -3.828 -2.193 -0.068 1.00 1.00 N ATOM 210 CA ARG A 148 -4.642 -3.353 -0.391 1.00 1.00 C ATOM 211 C ARG A 148 -4.236 -3.923 -1.751 1.00 1.00 C ATOM 212 O ARG A 148 -4.629 -5.034 -2.104 1.00 1.00 O ATOM 213 CB ARG A 148 -6.129 -2.995 -0.419 1.00 1.00 C ATOM 214 CG ARG A 148 -6.604 -2.519 0.956 1.00 1.00 C ATOM 215 CD ARG A 148 -6.778 -3.699 1.914 1.00 1.00 C ATOM 216 NE ARG A 148 -5.506 -3.970 2.619 1.00 1.00 N ATOM 217 CZ ARG A 148 -5.121 -5.185 3.033 1.00 1.00 C ATOM 218 NH1 ARG A 148 -5.905 -6.249 2.810 1.00 1.00 N ATOM 219 NH2 ARG A 148 -3.953 -5.337 3.672 1.00 1.00 N ATOM 0 H ARG A 148 -4.291 -1.295 -0.210 1.00 1.00 H new ATOM 0 HA ARG A 148 -4.476 -4.100 0.385 1.00 1.00 H new ATOM 0 HB2 ARG A 148 -6.305 -2.214 -1.159 1.00 1.00 H new ATOM 0 HB3 ARG A 148 -6.710 -3.864 -0.728 1.00 1.00 H new ATOM 0 HG2 ARG A 148 -5.883 -1.813 1.370 1.00 1.00 H new ATOM 0 HG3 ARG A 148 -7.549 -1.986 0.854 1.00 1.00 H new ATOM 0 HD2 ARG A 148 -7.564 -3.479 2.636 1.00 1.00 H new ATOM 0 HD3 ARG A 148 -7.092 -4.584 1.361 1.00 1.00 H new ATOM 0 HE ARG A 148 -4.883 -3.183 2.801 1.00 1.00 H new ATOM 0 HH11 ARG A 148 -6.795 -6.134 2.325 1.00 1.00 H new ATOM 0 HH12 ARG A 148 -5.612 -7.174 3.125 1.00 1.00 H new ATOM 0 HH21 ARG A 148 -3.356 -4.528 3.844 1.00 1.00 H new ATOM 0 HH22 ARG A 148 -3.661 -6.262 3.987 1.00 1.00 H new ATOM 233 N TYR A 149 -3.455 -3.137 -2.477 1.00 1.00 N ATOM 234 CA TYR A 149 -2.926 -3.583 -3.755 1.00 1.00 C ATOM 235 C TYR A 149 -1.516 -4.154 -3.595 1.00 1.00 C ATOM 236 O TYR A 149 -1.046 -4.905 -4.449 1.00 1.00 O ATOM 237 CB TYR A 149 -2.861 -2.338 -4.642 1.00 1.00 C ATOM 238 CG TYR A 149 -4.206 -1.632 -4.822 1.00 1.00 C ATOM 239 CD1 TYR A 149 -4.634 -0.712 -3.885 1.00 1.00 C ATOM 240 CD2 TYR A 149 -4.993 -1.914 -5.920 1.00 1.00 C ATOM 241 CE1 TYR A 149 -5.900 -0.047 -4.054 1.00 1.00 C ATOM 242 CE2 TYR A 149 -6.260 -1.249 -6.089 1.00 1.00 C ATOM 243 CZ TYR A 149 -6.650 -0.348 -5.148 1.00 1.00 C ATOM 244 OH TYR A 149 -7.846 0.279 -5.308 1.00 1.00 O ATOM 0 H TYR A 149 -3.176 -2.194 -2.205 1.00 1.00 H new ATOM 0 HA TYR A 149 -3.555 -4.366 -4.179 1.00 1.00 H new ATOM 0 HB2 TYR A 149 -2.148 -1.635 -4.212 1.00 1.00 H new ATOM 0 HB3 TYR A 149 -2.477 -2.622 -5.622 1.00 1.00 H new ATOM 0 HD1 TYR A 149 -4.019 -0.491 -3.025 1.00 1.00 H new ATOM 0 HD2 TYR A 149 -4.659 -2.633 -6.653 1.00 1.00 H new ATOM 0 HE1 TYR A 149 -6.246 0.674 -3.329 1.00 1.00 H new ATOM 0 HE2 TYR A 149 -6.886 -1.461 -6.943 1.00 1.00 H new ATOM 0 HH TYR A 149 -8.271 -0.034 -6.134 1.00 1.00 H new ATOM 254 N TYR A 150 -0.879 -3.775 -2.496 1.00 1.00 N ATOM 255 CA TYR A 150 0.532 -4.070 -2.310 1.00 1.00 C ATOM 256 C TYR A 150 0.806 -4.559 -0.886 1.00 1.00 C ATOM 257 O TYR A 150 1.477 -3.880 -0.111 1.00 1.00 O ATOM 258 CB TYR A 150 1.272 -2.751 -2.534 1.00 1.00 C ATOM 259 CG TYR A 150 1.028 -2.126 -3.910 1.00 1.00 C ATOM 260 CD1 TYR A 150 1.443 -2.783 -5.050 1.00 1.00 C ATOM 261 CD2 TYR A 150 0.392 -0.906 -4.010 1.00 1.00 C ATOM 262 CE1 TYR A 150 1.214 -2.195 -6.344 1.00 1.00 C ATOM 263 CE2 TYR A 150 0.161 -0.317 -5.304 1.00 1.00 C ATOM 264 CZ TYR A 150 0.584 -0.992 -6.408 1.00 1.00 C ATOM 265 OH TYR A 150 0.366 -0.437 -7.630 1.00 1.00 O ATOM 0 H TYR A 150 -1.314 -3.267 -1.726 1.00 1.00 H new ATOM 0 HA TYR A 150 0.855 -4.852 -2.998 1.00 1.00 H new ATOM 0 HB2 TYR A 150 0.969 -2.041 -1.765 1.00 1.00 H new ATOM 0 HB3 TYR A 150 2.341 -2.920 -2.408 1.00 1.00 H new ATOM 0 HD1 TYR A 150 1.940 -3.739 -4.972 1.00 1.00 H new ATOM 0 HD2 TYR A 150 0.067 -0.392 -3.117 1.00 1.00 H new ATOM 0 HE1 TYR A 150 1.536 -2.698 -7.244 1.00 1.00 H new ATOM 0 HE2 TYR A 150 -0.336 0.637 -5.396 1.00 1.00 H new ATOM 0 HH TYR A 150 -0.094 0.421 -7.522 1.00 1.00 H new ATOM 275 N ARG A 151 0.271 -5.734 -0.585 1.00 1.00 N ATOM 276 CA ARG A 151 0.153 -6.170 0.796 1.00 1.00 C ATOM 277 C ARG A 151 1.372 -7.003 1.196 1.00 1.00 C ATOM 278 O ARG A 151 1.232 -8.134 1.659 1.00 1.00 O ATOM 279 CB ARG A 151 -1.114 -7.002 1.004 1.00 1.00 C ATOM 280 CG ARG A 151 -1.303 -8.009 -0.132 1.00 1.00 C ATOM 281 CD ARG A 151 -1.866 -9.330 0.395 1.00 1.00 C ATOM 282 NE ARG A 151 -0.800 -10.099 1.075 1.00 1.00 N ATOM 283 CZ ARG A 151 -1.027 -11.129 1.902 1.00 1.00 C ATOM 284 NH1 ARG A 151 -2.282 -11.441 2.254 1.00 1.00 N ATOM 285 NH2 ARG A 151 0.000 -11.846 2.377 1.00 1.00 N ATOM 0 H ARG A 151 -0.085 -6.397 -1.274 1.00 1.00 H new ATOM 0 HA ARG A 151 0.096 -5.279 1.421 1.00 1.00 H new ATOM 0 HB2 ARG A 151 -1.054 -7.530 1.956 1.00 1.00 H new ATOM 0 HB3 ARG A 151 -1.981 -6.343 1.058 1.00 1.00 H new ATOM 0 HG2 ARG A 151 -1.978 -7.595 -0.881 1.00 1.00 H new ATOM 0 HG3 ARG A 151 -0.348 -8.188 -0.627 1.00 1.00 H new ATOM 0 HD2 ARG A 151 -2.684 -9.135 1.088 1.00 1.00 H new ATOM 0 HD3 ARG A 151 -2.278 -9.913 -0.428 1.00 1.00 H new ATOM 0 HE ARG A 151 0.168 -9.828 0.904 1.00 1.00 H new ATOM 0 HH11 ARG A 151 -3.064 -10.895 1.893 1.00 1.00 H new ATOM 0 HH12 ARG A 151 -2.455 -12.225 2.883 1.00 1.00 H new ATOM 0 HH21 ARG A 151 0.955 -11.608 2.109 1.00 1.00 H new ATOM 0 HH22 ARG A 151 -0.173 -12.630 3.006 1.00 1.00 H new ATOM 299 N GLU A 152 2.543 -6.412 1.002 1.00 1.00 N ATOM 300 CA GLU A 152 3.779 -7.037 1.440 1.00 1.00 C ATOM 301 C GLU A 152 3.976 -6.826 2.943 1.00 1.00 C ATOM 302 O GLU A 152 5.101 -6.642 3.405 1.00 1.00 O ATOM 303 CB GLU A 152 4.975 -6.501 0.650 1.00 1.00 C ATOM 304 CG GLU A 152 4.857 -6.862 -0.832 1.00 1.00 C ATOM 305 CD GLU A 152 4.080 -5.788 -1.597 1.00 1.00 C ATOM 306 OE1 GLU A 152 4.591 -4.649 -1.653 1.00 1.00 O ATOM 307 OE2 GLU A 152 2.992 -6.132 -2.108 1.00 1.00 O ATOM 0 H GLU A 152 2.661 -5.507 0.547 1.00 1.00 H new ATOM 0 HA GLU A 152 3.710 -8.108 1.248 1.00 1.00 H new ATOM 0 HB2 GLU A 152 5.033 -5.418 0.761 1.00 1.00 H new ATOM 0 HB3 GLU A 152 5.899 -6.913 1.056 1.00 1.00 H new ATOM 0 HG2 GLU A 152 5.852 -6.973 -1.263 1.00 1.00 H new ATOM 0 HG3 GLU A 152 4.355 -7.824 -0.937 1.00 1.00 H new ATOM 314 N ASN A 153 2.864 -6.862 3.664 1.00 1.00 N ATOM 315 CA ASN A 153 2.891 -6.601 5.094 1.00 1.00 C ATOM 316 C ASN A 153 1.635 -7.190 5.739 1.00 1.00 C ATOM 317 O ASN A 153 1.031 -6.568 6.611 1.00 1.00 O ATOM 318 CB ASN A 153 2.908 -5.097 5.378 1.00 1.00 C ATOM 319 CG ASN A 153 1.887 -4.363 4.506 1.00 1.00 C ATOM 320 OD1 ASN A 153 2.148 -4.002 3.371 1.00 1.00 O ATOM 321 ND2 ASN A 153 0.714 -4.163 5.099 1.00 1.00 N ATOM 0 H ASN A 153 1.940 -7.068 3.285 1.00 1.00 H new ATOM 0 HA ASN A 153 3.793 -7.056 5.504 1.00 1.00 H new ATOM 0 HB2 ASN A 153 2.687 -4.919 6.431 1.00 1.00 H new ATOM 0 HB3 ASN A 153 3.905 -4.699 5.190 1.00 1.00 H new ATOM 0 HD21 ASN A 153 -0.034 -3.681 4.600 1.00 1.00 H new ATOM 0 HD22 ASN A 153 0.562 -4.492 6.053 1.00 1.00 H new ATOM 328 N MET A 154 1.280 -8.382 5.284 1.00 1.00 N ATOM 329 CA MET A 154 0.040 -9.008 5.714 1.00 1.00 C ATOM 330 C MET A 154 0.160 -10.533 5.695 1.00 1.00 C ATOM 331 O MET A 154 0.956 -11.087 4.939 1.00 1.00 O ATOM 332 CB MET A 154 -1.098 -8.574 4.788 1.00 1.00 C ATOM 333 CG MET A 154 -2.460 -8.902 5.403 1.00 1.00 C ATOM 334 SD MET A 154 -3.764 -8.480 4.259 1.00 1.00 S ATOM 335 CE MET A 154 -5.051 -9.571 4.840 1.00 1.00 C ATOM 0 H MET A 154 1.828 -8.931 4.622 1.00 1.00 H new ATOM 0 HA MET A 154 -0.170 -8.692 6.736 1.00 1.00 H new ATOM 0 HB2 MET A 154 -1.029 -7.503 4.598 1.00 1.00 H new ATOM 0 HB3 MET A 154 -0.999 -9.075 3.825 1.00 1.00 H new ATOM 0 HG2 MET A 154 -2.511 -9.962 5.650 1.00 1.00 H new ATOM 0 HG3 MET A 154 -2.590 -8.351 6.335 1.00 1.00 H new ATOM 0 HE1 MET A 154 -5.945 -9.436 4.231 1.00 1.00 H new ATOM 0 HE2 MET A 154 -4.713 -10.605 4.765 1.00 1.00 H new ATOM 0 HE3 MET A 154 -5.282 -9.340 5.880 1.00 1.00 H new ATOM 345 N TYR A 155 -0.641 -11.167 6.538 1.00 1.00 N ATOM 346 CA TYR A 155 -0.935 -12.581 6.371 1.00 1.00 C ATOM 347 C TYR A 155 -1.598 -12.847 5.018 1.00 1.00 C ATOM 348 O TYR A 155 -0.982 -13.584 4.219 1.00 1.00 O ATOM 349 CB TYR A 155 -1.917 -12.942 7.487 1.00 1.00 C ATOM 350 CG TYR A 155 -2.280 -14.428 7.539 1.00 1.00 C ATOM 351 CD1 TYR A 155 -3.360 -14.900 6.820 1.00 1.00 C ATOM 352 CD2 TYR A 155 -1.529 -15.295 8.304 1.00 1.00 C ATOM 353 CE1 TYR A 155 -3.702 -16.298 6.869 1.00 1.00 C ATOM 354 CE2 TYR A 155 -1.870 -16.693 8.354 1.00 1.00 C ATOM 355 CZ TYR A 155 -2.940 -17.126 7.634 1.00 1.00 C ATOM 356 OH TYR A 155 -3.263 -18.446 7.681 1.00 1.00 O ATOM 357 OXT TYR A 155 -2.707 -12.306 4.813 1.00 1.00 O ATOM 0 H TYR A 155 -1.096 -10.728 7.339 1.00 1.00 H new ATOM 0 HA TYR A 155 -0.020 -13.171 6.413 1.00 1.00 H new ATOM 0 HB2 TYR A 155 -1.486 -12.650 8.445 1.00 1.00 H new ATOM 0 HB3 TYR A 155 -2.829 -12.360 7.357 1.00 1.00 H new ATOM 0 HD1 TYR A 155 -3.948 -14.221 6.221 1.00 1.00 H new ATOM 0 HD2 TYR A 155 -0.684 -14.925 8.866 1.00 1.00 H new ATOM 0 HE1 TYR A 155 -4.544 -16.681 6.311 1.00 1.00 H new ATOM 0 HE2 TYR A 155 -1.290 -17.382 8.949 1.00 1.00 H new ATOM 0 HH TYR A 155 -2.632 -18.917 8.265 1.00 1.00 H new TER 367 TYR A 155