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 -138:sc= 1.26 USER MOD Single : A 140 HIS : no HE2:sc= -0.967 K(o=-0.97,f=-5.1!) USER MOD Single : A 143 ASN : amide:sc= 0.948 K(o=0.95,f=-0.0095) 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= 0.0795 K(o=0.079,f=0.96) USER MOD Single : A 154 MET CE :methyl -175:sc= 0 (180deg=-0.0677) USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 135 2.266 -1.516 0.700 1.00 1.00 N ATOM 2 CA SER A 135 2.604 -1.199 -0.677 1.00 1.00 C ATOM 3 C SER A 135 3.940 -0.458 -0.757 1.00 1.00 C ATOM 4 O SER A 135 4.341 0.211 0.195 1.00 1.00 O ATOM 5 CB SER A 135 1.492 -0.278 -1.182 1.00 1.00 C ATOM 6 OG SER A 135 1.667 0.066 -2.554 1.00 1.00 O ATOM 0 HA SER A 135 2.694 -2.109 -1.270 1.00 1.00 H new ATOM 0 HB2 SER A 135 0.527 -0.768 -1.051 1.00 1.00 H new ATOM 0 HB3 SER A 135 1.472 0.630 -0.580 1.00 1.00 H new ATOM 0 HG SER A 135 1.469 1.017 -2.681 1.00 1.00 H new ATOM 14 N ARG A 136 4.593 -0.602 -1.902 1.00 1.00 N ATOM 15 CA ARG A 136 5.665 0.306 -2.270 1.00 1.00 C ATOM 16 C ARG A 136 5.206 1.758 -2.123 1.00 1.00 C ATOM 17 O ARG A 136 4.015 2.050 -2.225 1.00 1.00 O ATOM 18 CB ARG A 136 6.118 0.066 -3.712 1.00 1.00 C ATOM 19 CG ARG A 136 7.031 -1.158 -3.803 1.00 1.00 C ATOM 20 CD ARG A 136 6.777 -1.937 -5.095 1.00 1.00 C ATOM 21 NE ARG A 136 5.955 -3.135 -4.810 1.00 1.00 N ATOM 22 CZ ARG A 136 5.538 -3.999 -5.745 1.00 1.00 C ATOM 23 NH1 ARG A 136 5.606 -3.668 -7.042 1.00 1.00 N ATOM 24 NH2 ARG A 136 5.052 -5.195 -5.384 1.00 1.00 N ATOM 0 H ARG A 136 4.400 -1.334 -2.586 1.00 1.00 H new ATOM 0 HA ARG A 136 6.504 0.117 -1.600 1.00 1.00 H new ATOM 0 HB2 ARG A 136 5.247 -0.077 -4.352 1.00 1.00 H new ATOM 0 HB3 ARG A 136 6.645 0.945 -4.083 1.00 1.00 H new ATOM 0 HG2 ARG A 136 8.073 -0.842 -3.764 1.00 1.00 H new ATOM 0 HG3 ARG A 136 6.862 -1.807 -2.944 1.00 1.00 H new ATOM 0 HD2 ARG A 136 6.268 -1.301 -5.819 1.00 1.00 H new ATOM 0 HD3 ARG A 136 7.725 -2.234 -5.543 1.00 1.00 H new ATOM 0 HE ARG A 136 5.690 -3.314 -3.841 1.00 1.00 H new ATOM 0 HH11 ARG A 136 5.975 -2.758 -7.317 1.00 1.00 H new ATOM 0 HH12 ARG A 136 5.288 -4.326 -7.754 1.00 1.00 H new ATOM 0 HH21 ARG A 136 5.000 -5.447 -4.397 1.00 1.00 H new ATOM 0 HH22 ARG A 136 4.735 -5.853 -6.096 1.00 1.00 H new ATOM 38 N PRO A 137 6.201 2.653 -1.878 1.00 1.00 N ATOM 39 CA PRO A 137 5.912 4.069 -1.720 1.00 1.00 C ATOM 40 C PRO A 137 5.610 4.720 -3.069 1.00 1.00 C ATOM 41 O PRO A 137 6.342 4.520 -4.038 1.00 1.00 O ATOM 42 CB PRO A 137 7.143 4.648 -1.042 1.00 1.00 C ATOM 43 CG PRO A 137 8.256 3.637 -1.267 1.00 1.00 C ATOM 44 CD PRO A 137 7.622 2.343 -1.746 1.00 1.00 C ATOM 0 HA PRO A 137 5.020 4.253 -1.120 1.00 1.00 H new ATOM 0 HB2 PRO A 137 7.404 5.617 -1.467 1.00 1.00 H new ATOM 0 HB3 PRO A 137 6.966 4.804 0.022 1.00 1.00 H new ATOM 0 HG2 PRO A 137 8.966 4.010 -2.005 1.00 1.00 H new ATOM 0 HG3 PRO A 137 8.812 3.471 -0.345 1.00 1.00 H new ATOM 0 HD2 PRO A 137 8.047 2.022 -2.697 1.00 1.00 H new ATOM 0 HD3 PRO A 137 7.786 1.534 -1.034 1.00 1.00 H new ATOM 52 N LEU A 138 4.530 5.488 -3.092 1.00 1.00 N ATOM 53 CA LEU A 138 4.156 6.220 -4.290 1.00 1.00 C ATOM 54 C LEU A 138 4.241 7.722 -4.013 1.00 1.00 C ATOM 55 O LEU A 138 3.649 8.524 -4.734 1.00 1.00 O ATOM 56 CB LEU A 138 2.784 5.763 -4.791 1.00 1.00 C ATOM 57 CG LEU A 138 2.637 4.266 -5.072 1.00 1.00 C ATOM 58 CD1 LEU A 138 1.181 3.906 -5.376 1.00 1.00 C ATOM 59 CD2 LEU A 138 3.583 3.823 -6.189 1.00 1.00 C ATOM 0 H LEU A 138 3.902 5.619 -2.299 1.00 1.00 H new ATOM 0 HA LEU A 138 4.853 6.006 -5.100 1.00 1.00 H new ATOM 0 HB2 LEU A 138 2.036 6.049 -4.052 1.00 1.00 H new ATOM 0 HB3 LEU A 138 2.553 6.309 -5.706 1.00 1.00 H new ATOM 0 HG LEU A 138 2.922 3.719 -4.173 1.00 1.00 H new ATOM 0 HD11 LEU A 138 1.104 2.837 -5.572 1.00 1.00 H new ATOM 0 HD12 LEU A 138 0.556 4.164 -4.521 1.00 1.00 H new ATOM 0 HD13 LEU A 138 0.844 4.461 -6.252 1.00 1.00 H new ATOM 0 HD21 LEU A 138 3.459 2.755 -6.369 1.00 1.00 H new ATOM 0 HD22 LEU A 138 3.353 4.374 -7.101 1.00 1.00 H new ATOM 0 HD23 LEU A 138 4.613 4.024 -5.894 1.00 1.00 H new ATOM 71 N ILE A 139 4.982 8.058 -2.968 1.00 1.00 N ATOM 72 CA ILE A 139 4.400 8.747 -1.829 1.00 1.00 C ATOM 73 C ILE A 139 2.889 8.506 -1.808 1.00 1.00 C ATOM 74 O ILE A 139 2.167 8.991 -2.679 1.00 1.00 O ATOM 75 CB ILE A 139 4.786 10.228 -1.846 1.00 1.00 C ATOM 76 CG1 ILE A 139 6.286 10.402 -2.091 1.00 1.00 C ATOM 77 CG2 ILE A 139 4.329 10.928 -0.564 1.00 1.00 C ATOM 78 CD1 ILE A 139 7.104 9.692 -1.009 1.00 1.00 C ATOM 0 H ILE A 139 5.980 7.866 -2.886 1.00 1.00 H new ATOM 0 HA ILE A 139 4.799 8.346 -0.897 1.00 1.00 H new ATOM 0 HB ILE A 139 4.267 10.706 -2.677 1.00 1.00 H new ATOM 0 HG12 ILE A 139 6.547 10.002 -3.071 1.00 1.00 H new ATOM 0 HG13 ILE A 139 6.536 11.463 -2.103 1.00 1.00 H new ATOM 0 HG21 ILE A 139 4.616 11.979 -0.601 1.00 1.00 H new ATOM 0 HG22 ILE A 139 3.246 10.850 -0.473 1.00 1.00 H new ATOM 0 HG23 ILE A 139 4.800 10.454 0.297 1.00 1.00 H new ATOM 0 HD11 ILE A 139 8.167 9.831 -1.206 1.00 1.00 H new ATOM 0 HD12 ILE A 139 6.858 10.111 -0.033 1.00 1.00 H new ATOM 0 HD13 ILE A 139 6.870 8.627 -1.016 1.00 1.00 H new ATOM 90 N HIS A 140 2.456 7.755 -0.806 1.00 1.00 N ATOM 91 CA HIS A 140 1.054 7.392 -0.695 1.00 1.00 C ATOM 92 C HIS A 140 0.509 7.856 0.657 1.00 1.00 C ATOM 93 O HIS A 140 0.059 7.041 1.462 1.00 1.00 O ATOM 94 CB HIS A 140 0.860 5.893 -0.930 1.00 1.00 C ATOM 95 CG HIS A 140 1.726 5.017 -0.056 1.00 1.00 C ATOM 96 ND1 HIS A 140 2.017 3.701 -0.368 1.00 1.00 N ATOM 97 CD2 HIS A 140 2.361 5.284 1.122 1.00 1.00 C ATOM 98 CE1 HIS A 140 2.793 3.206 0.586 1.00 1.00 C ATOM 99 NE2 HIS A 140 3.004 4.189 1.508 1.00 1.00 N ATOM 0 H HIS A 140 3.052 7.388 -0.064 1.00 1.00 H new ATOM 0 HA HIS A 140 0.481 7.899 -1.472 1.00 1.00 H new ATOM 0 HB2 HIS A 140 -0.186 5.641 -0.756 1.00 1.00 H new ATOM 0 HB3 HIS A 140 1.073 5.669 -1.975 1.00 1.00 H new ATOM 0 HD1 HIS A 140 1.690 3.197 -1.192 1.00 1.00 H new ATOM 0 HD2 HIS A 140 2.343 6.226 1.650 1.00 1.00 H new ATOM 0 HE1 HIS A 140 3.188 2.202 0.626 1.00 1.00 H new ATOM 108 N PHE A 141 0.568 9.163 0.866 1.00 1.00 N ATOM 109 CA PHE A 141 -0.157 9.778 1.966 1.00 1.00 C ATOM 110 C PHE A 141 -1.469 9.040 2.239 1.00 1.00 C ATOM 111 O PHE A 141 -2.282 8.857 1.335 1.00 1.00 O ATOM 112 CB PHE A 141 -0.471 11.216 1.545 1.00 1.00 C ATOM 113 CG PHE A 141 0.543 12.246 2.044 1.00 1.00 C ATOM 114 CD1 PHE A 141 1.876 12.006 1.915 1.00 1.00 C ATOM 115 CD2 PHE A 141 0.113 13.403 2.615 1.00 1.00 C ATOM 116 CE1 PHE A 141 2.818 12.962 2.379 1.00 1.00 C ATOM 117 CE2 PHE A 141 1.055 14.360 3.078 1.00 1.00 C ATOM 118 CZ PHE A 141 2.387 14.119 2.950 1.00 1.00 C ATOM 0 H PHE A 141 1.106 9.813 0.293 1.00 1.00 H new ATOM 0 HA PHE A 141 0.444 9.742 2.875 1.00 1.00 H new ATOM 0 HB2 PHE A 141 -0.516 11.263 0.457 1.00 1.00 H new ATOM 0 HB3 PHE A 141 -1.460 11.485 1.917 1.00 1.00 H new ATOM 0 HD1 PHE A 141 2.218 11.088 1.460 1.00 1.00 H new ATOM 0 HD2 PHE A 141 -0.945 13.594 2.716 1.00 1.00 H new ATOM 0 HE1 PHE A 141 3.876 12.771 2.279 1.00 1.00 H new ATOM 0 HE2 PHE A 141 0.713 15.279 3.532 1.00 1.00 H new ATOM 0 HZ PHE A 141 3.103 14.847 3.302 1.00 1.00 H new ATOM 128 N GLY A 142 -1.633 8.637 3.491 1.00 1.00 N ATOM 129 CA GLY A 142 -0.505 8.185 4.286 1.00 1.00 C ATOM 130 C GLY A 142 -0.875 6.952 5.112 1.00 1.00 C ATOM 131 O GLY A 142 -0.676 6.931 6.326 1.00 1.00 O ATOM 0 H GLY A 142 -2.531 8.614 3.974 1.00 1.00 H new ATOM 0 HA2 GLY A 142 0.335 7.950 3.632 1.00 1.00 H new ATOM 0 HA3 GLY A 142 -0.178 8.986 4.949 1.00 1.00 H new ATOM 135 N ASN A 143 -1.406 5.953 4.420 1.00 1.00 N ATOM 136 CA ASN A 143 -2.145 4.894 5.085 1.00 1.00 C ATOM 137 C ASN A 143 -1.909 3.574 4.347 1.00 1.00 C ATOM 138 O ASN A 143 -2.487 2.548 4.703 1.00 1.00 O ATOM 139 CB ASN A 143 -3.648 5.180 5.073 1.00 1.00 C ATOM 140 CG ASN A 143 -4.296 4.763 6.395 1.00 1.00 C ATOM 141 OD1 ASN A 143 -4.783 5.578 7.161 1.00 1.00 O ATOM 142 ND2 ASN A 143 -4.273 3.453 6.619 1.00 1.00 N ATOM 0 H ASN A 143 -1.339 5.856 3.407 1.00 1.00 H new ATOM 0 HA ASN A 143 -1.797 4.836 6.116 1.00 1.00 H new ATOM 0 HB2 ASN A 143 -3.818 6.243 4.900 1.00 1.00 H new ATOM 0 HB3 ASN A 143 -4.117 4.643 4.249 1.00 1.00 H new ATOM 0 HD21 ASN A 143 -4.679 3.075 7.475 1.00 1.00 H new ATOM 0 HD22 ASN A 143 -3.849 2.826 5.935 1.00 1.00 H new ATOM 149 N ASP A 144 -1.060 3.643 3.333 1.00 1.00 N ATOM 150 CA ASP A 144 -0.718 2.461 2.561 1.00 1.00 C ATOM 151 C ASP A 144 -1.995 1.847 1.985 1.00 1.00 C ATOM 152 O ASP A 144 -2.225 0.645 2.118 1.00 1.00 O ATOM 153 CB ASP A 144 -0.041 1.406 3.440 1.00 1.00 C ATOM 154 CG ASP A 144 0.896 0.452 2.698 1.00 1.00 C ATOM 155 OD1 ASP A 144 1.577 0.935 1.767 1.00 1.00 O ATOM 156 OD2 ASP A 144 0.911 -0.739 3.079 1.00 1.00 O ATOM 0 H ASP A 144 -0.598 4.500 3.028 1.00 1.00 H new ATOM 0 HA ASP A 144 -0.034 2.762 1.767 1.00 1.00 H new ATOM 0 HB2 ASP A 144 0.526 1.914 4.220 1.00 1.00 H new ATOM 0 HB3 ASP A 144 -0.813 0.819 3.937 1.00 1.00 H new ATOM 161 N TYR A 145 -2.792 2.698 1.356 1.00 1.00 N ATOM 162 CA TYR A 145 -4.172 2.352 1.059 1.00 1.00 C ATOM 163 C TYR A 145 -4.260 1.482 -0.197 1.00 1.00 C ATOM 164 O TYR A 145 -5.345 1.051 -0.581 1.00 1.00 O ATOM 165 CB TYR A 145 -4.892 3.677 0.799 1.00 1.00 C ATOM 166 CG TYR A 145 -4.219 4.554 -0.259 1.00 1.00 C ATOM 167 CD1 TYR A 145 -4.420 4.296 -1.599 1.00 1.00 C ATOM 168 CD2 TYR A 145 -3.411 5.604 0.128 1.00 1.00 C ATOM 169 CE1 TYR A 145 -3.787 5.122 -2.594 1.00 1.00 C ATOM 170 CE2 TYR A 145 -2.777 6.429 -0.867 1.00 1.00 C ATOM 171 CZ TYR A 145 -2.997 6.147 -2.180 1.00 1.00 C ATOM 172 OH TYR A 145 -2.399 6.927 -3.119 1.00 1.00 O ATOM 0 H TYR A 145 -2.509 3.627 1.044 1.00 1.00 H new ATOM 0 HA TYR A 145 -4.614 1.791 1.883 1.00 1.00 H new ATOM 0 HB2 TYR A 145 -5.915 3.468 0.485 1.00 1.00 H new ATOM 0 HB3 TYR A 145 -4.953 4.235 1.733 1.00 1.00 H new ATOM 0 HD1 TYR A 145 -5.052 3.474 -1.902 1.00 1.00 H new ATOM 0 HD2 TYR A 145 -3.254 5.807 1.177 1.00 1.00 H new ATOM 0 HE1 TYR A 145 -3.937 4.931 -3.646 1.00 1.00 H new ATOM 0 HE2 TYR A 145 -2.141 7.253 -0.578 1.00 1.00 H new ATOM 0 HH TYR A 145 -1.866 7.620 -2.677 1.00 1.00 H new ATOM 182 N GLU A 146 -3.104 1.252 -0.801 1.00 1.00 N ATOM 183 CA GLU A 146 -3.008 0.303 -1.897 1.00 1.00 C ATOM 184 C GLU A 146 -2.937 -1.127 -1.358 1.00 1.00 C ATOM 185 O GLU A 146 -2.495 -2.037 -2.056 1.00 1.00 O ATOM 186 CB GLU A 146 -1.802 0.613 -2.787 1.00 1.00 C ATOM 187 CG GLU A 146 -1.598 2.123 -2.926 1.00 1.00 C ATOM 188 CD GLU A 146 -0.485 2.614 -1.999 1.00 1.00 C ATOM 189 OE1 GLU A 146 0.686 2.541 -2.428 1.00 1.00 O ATOM 190 OE2 GLU A 146 -0.832 3.052 -0.880 1.00 1.00 O ATOM 0 H GLU A 146 -2.225 1.707 -0.552 1.00 1.00 H new ATOM 0 HA GLU A 146 -3.905 0.395 -2.510 1.00 1.00 H new ATOM 0 HB2 GLU A 146 -0.906 0.159 -2.363 1.00 1.00 H new ATOM 0 HB3 GLU A 146 -1.949 0.170 -3.772 1.00 1.00 H new ATOM 0 HG2 GLU A 146 -1.349 2.366 -3.959 1.00 1.00 H new ATOM 0 HG3 GLU A 146 -2.527 2.642 -2.691 1.00 1.00 H new ATOM 197 N ASP A 147 -3.381 -1.279 -0.118 1.00 1.00 N ATOM 198 CA ASP A 147 -3.476 -2.598 0.485 1.00 1.00 C ATOM 199 C ASP A 147 -4.170 -3.551 -0.491 1.00 1.00 C ATOM 200 O ASP A 147 -3.790 -4.716 -0.602 1.00 1.00 O ATOM 201 CB ASP A 147 -4.302 -2.556 1.772 1.00 1.00 C ATOM 202 CG ASP A 147 -4.928 -3.891 2.182 1.00 1.00 C ATOM 203 OD1 ASP A 147 -4.222 -4.661 2.871 1.00 1.00 O ATOM 204 OD2 ASP A 147 -6.097 -4.112 1.799 1.00 1.00 O ATOM 0 H ASP A 147 -3.678 -0.512 0.484 1.00 1.00 H new ATOM 0 HA ASP A 147 -2.466 -2.938 0.715 1.00 1.00 H new ATOM 0 HB2 ASP A 147 -3.664 -2.206 2.584 1.00 1.00 H new ATOM 0 HB3 ASP A 147 -5.097 -1.820 1.652 1.00 1.00 H new ATOM 209 N ARG A 148 -5.174 -3.022 -1.173 1.00 1.00 N ATOM 210 CA ARG A 148 -6.058 -3.853 -1.971 1.00 1.00 C ATOM 211 C ARG A 148 -5.282 -4.510 -3.114 1.00 1.00 C ATOM 212 O ARG A 148 -5.764 -5.457 -3.734 1.00 1.00 O ATOM 213 CB ARG A 148 -7.211 -3.032 -2.552 1.00 1.00 C ATOM 214 CG ARG A 148 -8.066 -2.422 -1.440 1.00 1.00 C ATOM 215 CD ARG A 148 -9.014 -3.463 -0.842 1.00 1.00 C ATOM 216 NE ARG A 148 -8.354 -4.160 0.284 1.00 1.00 N ATOM 217 CZ ARG A 148 -8.871 -5.223 0.917 1.00 1.00 C ATOM 218 NH1 ARG A 148 -10.056 -5.719 0.535 1.00 1.00 N ATOM 219 NH2 ARG A 148 -8.203 -5.789 1.931 1.00 1.00 N ATOM 0 H ARG A 148 -5.395 -2.026 -1.189 1.00 1.00 H new ATOM 0 HA ARG A 148 -6.468 -4.622 -1.317 1.00 1.00 H new ATOM 0 HB2 ARG A 148 -6.814 -2.239 -3.186 1.00 1.00 H new ATOM 0 HB3 ARG A 148 -7.831 -3.667 -3.185 1.00 1.00 H new ATOM 0 HG2 ARG A 148 -7.420 -2.022 -0.658 1.00 1.00 H new ATOM 0 HG3 ARG A 148 -8.642 -1.586 -1.837 1.00 1.00 H new ATOM 0 HD2 ARG A 148 -9.927 -2.979 -0.496 1.00 1.00 H new ATOM 0 HD3 ARG A 148 -9.305 -4.184 -1.606 1.00 1.00 H new ATOM 0 HE ARG A 148 -7.449 -3.810 0.598 1.00 1.00 H new ATOM 0 HH11 ARG A 148 -10.564 -5.288 -0.237 1.00 1.00 H new ATOM 0 HH12 ARG A 148 -10.449 -6.528 1.016 1.00 1.00 H new ATOM 0 HH21 ARG A 148 -7.301 -5.411 2.222 1.00 1.00 H new ATOM 0 HH22 ARG A 148 -8.596 -6.598 2.413 1.00 1.00 H new ATOM 233 N TYR A 149 -4.091 -3.981 -3.359 1.00 1.00 N ATOM 234 CA TYR A 149 -3.296 -4.420 -4.492 1.00 1.00 C ATOM 235 C TYR A 149 -1.937 -4.954 -4.034 1.00 1.00 C ATOM 236 O TYR A 149 -1.495 -6.008 -4.489 1.00 1.00 O ATOM 237 CB TYR A 149 -3.078 -3.180 -5.361 1.00 1.00 C ATOM 238 CG TYR A 149 -4.370 -2.553 -5.886 1.00 1.00 C ATOM 239 CD1 TYR A 149 -5.111 -3.204 -6.851 1.00 1.00 C ATOM 240 CD2 TYR A 149 -4.795 -1.335 -5.395 1.00 1.00 C ATOM 241 CE1 TYR A 149 -6.327 -2.613 -7.346 1.00 1.00 C ATOM 242 CE2 TYR A 149 -6.012 -0.744 -5.890 1.00 1.00 C ATOM 243 CZ TYR A 149 -6.717 -1.412 -6.840 1.00 1.00 C ATOM 244 OH TYR A 149 -7.867 -0.855 -7.308 1.00 1.00 O ATOM 0 H TYR A 149 -3.658 -3.252 -2.791 1.00 1.00 H new ATOM 0 HA TYR A 149 -3.803 -5.222 -5.029 1.00 1.00 H new ATOM 0 HB2 TYR A 149 -2.534 -2.434 -4.782 1.00 1.00 H new ATOM 0 HB3 TYR A 149 -2.447 -3.449 -6.208 1.00 1.00 H new ATOM 0 HD1 TYR A 149 -4.779 -4.157 -7.235 1.00 1.00 H new ATOM 0 HD2 TYR A 149 -4.215 -0.825 -4.640 1.00 1.00 H new ATOM 0 HE1 TYR A 149 -6.916 -3.112 -8.102 1.00 1.00 H new ATOM 0 HE2 TYR A 149 -6.356 0.208 -5.514 1.00 1.00 H new ATOM 0 HH TYR A 149 -8.023 0.001 -6.857 1.00 1.00 H new ATOM 254 N TYR A 150 -1.313 -4.202 -3.140 1.00 1.00 N ATOM 255 CA TYR A 150 0.065 -4.473 -2.765 1.00 1.00 C ATOM 256 C TYR A 150 0.230 -4.467 -1.243 1.00 1.00 C ATOM 257 O TYR A 150 0.979 -3.658 -0.701 1.00 1.00 O ATOM 258 CB TYR A 150 0.895 -3.334 -3.360 1.00 1.00 C ATOM 259 CG TYR A 150 0.942 -3.331 -4.890 1.00 1.00 C ATOM 260 CD1 TYR A 150 1.742 -4.237 -5.557 1.00 1.00 C ATOM 261 CD2 TYR A 150 0.186 -2.424 -5.601 1.00 1.00 C ATOM 262 CE1 TYR A 150 1.785 -4.235 -6.996 1.00 1.00 C ATOM 263 CE2 TYR A 150 0.229 -2.421 -7.041 1.00 1.00 C ATOM 264 CZ TYR A 150 1.027 -3.326 -7.668 1.00 1.00 C ATOM 265 OH TYR A 150 1.068 -3.325 -9.026 1.00 1.00 O ATOM 0 H TYR A 150 -1.736 -3.405 -2.664 1.00 1.00 H new ATOM 0 HA TYR A 150 0.377 -5.452 -3.129 1.00 1.00 H new ATOM 0 HB2 TYR A 150 0.487 -2.383 -3.017 1.00 1.00 H new ATOM 0 HB3 TYR A 150 1.913 -3.401 -2.976 1.00 1.00 H new ATOM 0 HD1 TYR A 150 2.335 -4.947 -5.000 1.00 1.00 H new ATOM 0 HD2 TYR A 150 -0.439 -1.715 -5.078 1.00 1.00 H new ATOM 0 HE1 TYR A 150 2.405 -4.939 -7.531 1.00 1.00 H new ATOM 0 HE2 TYR A 150 -0.359 -1.716 -7.610 1.00 1.00 H new ATOM 0 HH TYR A 150 0.476 -2.624 -9.371 1.00 1.00 H new ATOM 275 N ARG A 151 -0.484 -5.380 -0.600 1.00 1.00 N ATOM 276 CA ARG A 151 -0.297 -5.608 0.822 1.00 1.00 C ATOM 277 C ARG A 151 0.930 -6.493 1.061 1.00 1.00 C ATOM 278 O ARG A 151 0.845 -7.502 1.758 1.00 1.00 O ATOM 279 CB ARG A 151 -1.527 -6.277 1.439 1.00 1.00 C ATOM 280 CG ARG A 151 -2.026 -7.424 0.559 1.00 1.00 C ATOM 281 CD ARG A 151 -3.085 -8.254 1.288 1.00 1.00 C ATOM 282 NE ARG A 151 -3.851 -7.394 2.218 1.00 1.00 N ATOM 283 CZ ARG A 151 -4.341 -7.808 3.394 1.00 1.00 C ATOM 284 NH1 ARG A 151 -4.452 -9.120 3.649 1.00 1.00 N ATOM 285 NH2 ARG A 151 -4.721 -6.912 4.314 1.00 1.00 N ATOM 0 H ARG A 151 -1.192 -5.970 -1.038 1.00 1.00 H new ATOM 0 HA ARG A 151 -0.148 -4.638 1.297 1.00 1.00 H new ATOM 0 HB2 ARG A 151 -1.280 -6.656 2.431 1.00 1.00 H new ATOM 0 HB3 ARG A 151 -2.320 -5.540 1.567 1.00 1.00 H new ATOM 0 HG2 ARG A 151 -2.445 -7.023 -0.364 1.00 1.00 H new ATOM 0 HG3 ARG A 151 -1.188 -8.062 0.278 1.00 1.00 H new ATOM 0 HD2 ARG A 151 -3.760 -8.713 0.565 1.00 1.00 H new ATOM 0 HD3 ARG A 151 -2.608 -9.065 1.839 1.00 1.00 H new ATOM 0 HE ARG A 151 -4.016 -6.425 1.946 1.00 1.00 H new ATOM 0 HH11 ARG A 151 -4.163 -9.802 2.948 1.00 1.00 H new ATOM 0 HH12 ARG A 151 -4.825 -9.436 4.544 1.00 1.00 H new ATOM 0 HH21 ARG A 151 -4.637 -5.914 4.119 1.00 1.00 H new ATOM 0 HH22 ARG A 151 -5.094 -7.227 5.209 1.00 1.00 H new ATOM 299 N GLU A 152 2.041 -6.081 0.468 1.00 1.00 N ATOM 300 CA GLU A 152 3.293 -6.795 0.646 1.00 1.00 C ATOM 301 C GLU A 152 3.912 -6.452 2.004 1.00 1.00 C ATOM 302 O GLU A 152 5.132 -6.400 2.137 1.00 1.00 O ATOM 303 CB GLU A 152 4.267 -6.489 -0.493 1.00 1.00 C ATOM 304 CG GLU A 152 4.587 -4.994 -0.554 1.00 1.00 C ATOM 305 CD GLU A 152 4.897 -4.557 -1.987 1.00 1.00 C ATOM 306 OE1 GLU A 152 5.431 -5.405 -2.735 1.00 1.00 O ATOM 307 OE2 GLU A 152 4.596 -3.386 -2.301 1.00 1.00 O ATOM 0 H GLU A 152 2.100 -5.261 -0.136 1.00 1.00 H new ATOM 0 HA GLU A 152 3.084 -7.865 0.623 1.00 1.00 H new ATOM 0 HB2 GLU A 152 5.187 -7.056 -0.352 1.00 1.00 H new ATOM 0 HB3 GLU A 152 3.836 -6.811 -1.441 1.00 1.00 H new ATOM 0 HG2 GLU A 152 3.742 -4.422 -0.170 1.00 1.00 H new ATOM 0 HG3 GLU A 152 5.439 -4.774 0.089 1.00 1.00 H new ATOM 314 N ASN A 153 3.039 -6.225 2.975 1.00 1.00 N ATOM 315 CA ASN A 153 3.483 -5.844 4.305 1.00 1.00 C ATOM 316 C ASN A 153 2.272 -5.755 5.235 1.00 1.00 C ATOM 317 O ASN A 153 2.296 -5.022 6.223 1.00 1.00 O ATOM 318 CB ASN A 153 4.165 -4.475 4.286 1.00 1.00 C ATOM 319 CG ASN A 153 3.323 -3.452 3.522 1.00 1.00 C ATOM 320 OD1 ASN A 153 3.514 -3.207 2.343 1.00 1.00 O ATOM 321 ND2 ASN A 153 2.382 -2.869 4.260 1.00 1.00 N ATOM 0 H ASN A 153 2.027 -6.298 2.867 1.00 1.00 H new ATOM 0 HA ASN A 153 4.192 -6.596 4.653 1.00 1.00 H new ATOM 0 HB2 ASN A 153 4.324 -4.130 5.308 1.00 1.00 H new ATOM 0 HB3 ASN A 153 5.148 -4.561 3.822 1.00 1.00 H new ATOM 0 HD21 ASN A 153 1.767 -2.170 3.843 1.00 1.00 H new ATOM 0 HD22 ASN A 153 2.276 -3.121 5.243 1.00 1.00 H new ATOM 328 N MET A 154 1.241 -6.511 4.887 1.00 1.00 N ATOM 329 CA MET A 154 -0.044 -6.376 5.550 1.00 1.00 C ATOM 330 C MET A 154 -0.821 -7.694 5.515 1.00 1.00 C ATOM 331 O MET A 154 -0.427 -8.633 4.825 1.00 1.00 O ATOM 332 CB MET A 154 -0.863 -5.282 4.862 1.00 1.00 C ATOM 333 CG MET A 154 -0.812 -3.977 5.659 1.00 1.00 C ATOM 334 SD MET A 154 -1.857 -2.751 4.889 1.00 1.00 S ATOM 335 CE MET A 154 -1.359 -1.301 5.803 1.00 1.00 C ATOM 0 H MET A 154 1.270 -7.220 4.154 1.00 1.00 H new ATOM 0 HA MET A 154 0.133 -6.108 6.592 1.00 1.00 H new ATOM 0 HB2 MET A 154 -0.479 -5.113 3.856 1.00 1.00 H new ATOM 0 HB3 MET A 154 -1.898 -5.608 4.758 1.00 1.00 H new ATOM 0 HG2 MET A 154 -1.139 -4.154 6.684 1.00 1.00 H new ATOM 0 HG3 MET A 154 0.214 -3.612 5.710 1.00 1.00 H new ATOM 0 HE1 MET A 154 -1.980 -0.455 5.509 1.00 1.00 H new ATOM 0 HE2 MET A 154 -1.478 -1.485 6.871 1.00 1.00 H new ATOM 0 HE3 MET A 154 -0.314 -1.076 5.588 1.00 1.00 H new ATOM 345 N TYR A 155 -1.912 -7.722 6.267 1.00 1.00 N ATOM 346 CA TYR A 155 -2.551 -8.980 6.613 1.00 1.00 C ATOM 347 C TYR A 155 -4.075 -8.842 6.608 1.00 1.00 C ATOM 348 O TYR A 155 -4.545 -7.738 6.960 1.00 1.00 O ATOM 349 CB TYR A 155 -2.085 -9.314 8.032 1.00 1.00 C ATOM 350 CG TYR A 155 -0.567 -9.257 8.218 1.00 1.00 C ATOM 351 CD1 TYR A 155 0.231 -10.248 7.682 1.00 1.00 C ATOM 352 CD2 TYR A 155 0.004 -8.217 8.921 1.00 1.00 C ATOM 353 CE1 TYR A 155 1.659 -10.196 7.856 1.00 1.00 C ATOM 354 CE2 TYR A 155 1.432 -8.164 9.096 1.00 1.00 C ATOM 355 CZ TYR A 155 2.190 -9.156 8.556 1.00 1.00 C ATOM 356 OH TYR A 155 3.539 -9.107 8.720 1.00 1.00 O ATOM 357 OXT TYR A 155 -4.734 -9.842 6.254 1.00 1.00 O ATOM 0 H TYR A 155 -2.369 -6.893 6.646 1.00 1.00 H new ATOM 0 HA TYR A 155 -2.287 -9.755 5.893 1.00 1.00 H new ATOM 0 HB2 TYR A 155 -2.553 -8.619 8.730 1.00 1.00 H new ATOM 0 HB3 TYR A 155 -2.436 -10.313 8.293 1.00 1.00 H new ATOM 0 HD1 TYR A 155 -0.216 -11.063 7.132 1.00 1.00 H new ATOM 0 HD2 TYR A 155 -0.620 -7.442 9.340 1.00 1.00 H new ATOM 0 HE1 TYR A 155 2.294 -10.964 7.441 1.00 1.00 H new ATOM 0 HE2 TYR A 155 1.891 -7.355 9.644 1.00 1.00 H new ATOM 0 HH TYR A 155 3.777 -8.310 9.238 1.00 1.00 H new TER 367 TYR A 155