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 -117:sc= 1.24 USER MOD Single : A 140 HIS : no HE2:sc= -2.24! C(o=-2.2!,f=-6.4!) USER MOD Single : A 143 ASN : amide:sc= 0.846 K(o=0.85,f=0) USER MOD Single : A 145 TYR OH : rot -148:sc= 1.2 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= 0.742 K(o=0.74,f=-0.9) USER MOD Single : A 154 MET CE :methyl -172:sc= -0.155 (180deg=-0.255) USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 135 0.842 -1.627 0.746 1.00 1.00 N ATOM 2 CA SER A 135 1.648 -0.418 0.794 1.00 1.00 C ATOM 3 C SER A 135 2.771 -0.466 -0.244 1.00 1.00 C ATOM 4 O SER A 135 3.374 -1.516 -0.463 1.00 1.00 O ATOM 5 CB SER A 135 2.264 -0.375 2.193 1.00 1.00 C ATOM 6 OG SER A 135 1.270 -0.321 3.213 1.00 1.00 O ATOM 0 HA SER A 135 1.036 0.459 0.580 1.00 1.00 H new ATOM 0 HB2 SER A 135 2.888 -1.256 2.341 1.00 1.00 H new ATOM 0 HB3 SER A 135 2.916 0.495 2.276 1.00 1.00 H new ATOM 0 HG SER A 135 1.358 0.518 3.711 1.00 1.00 H new ATOM 14 N ARG A 136 3.019 0.683 -0.855 1.00 1.00 N ATOM 15 CA ARG A 136 4.273 0.903 -1.555 1.00 1.00 C ATOM 16 C ARG A 136 4.786 2.320 -1.291 1.00 1.00 C ATOM 17 O ARG A 136 4.011 3.210 -0.944 1.00 1.00 O ATOM 18 CB ARG A 136 4.107 0.701 -3.061 1.00 1.00 C ATOM 19 CG ARG A 136 4.420 -0.743 -3.459 1.00 1.00 C ATOM 20 CD ARG A 136 4.297 -0.935 -4.972 1.00 1.00 C ATOM 21 NE ARG A 136 5.098 -2.103 -5.401 1.00 1.00 N ATOM 22 CZ ARG A 136 4.879 -3.358 -4.987 1.00 1.00 C ATOM 23 NH1 ARG A 136 3.725 -3.670 -4.380 1.00 1.00 N ATOM 24 NH2 ARG A 136 5.812 -4.300 -5.178 1.00 1.00 N ATOM 0 H ARG A 136 2.373 1.472 -0.880 1.00 1.00 H new ATOM 0 HA ARG A 136 4.993 0.176 -1.180 1.00 1.00 H new ATOM 0 HB2 ARG A 136 3.087 0.950 -3.355 1.00 1.00 H new ATOM 0 HB3 ARG A 136 4.768 1.381 -3.598 1.00 1.00 H new ATOM 0 HG2 ARG A 136 5.429 -1.002 -3.137 1.00 1.00 H new ATOM 0 HG3 ARG A 136 3.738 -1.421 -2.946 1.00 1.00 H new ATOM 0 HD2 ARG A 136 3.252 -1.081 -5.245 1.00 1.00 H new ATOM 0 HD3 ARG A 136 4.639 -0.039 -5.490 1.00 1.00 H new ATOM 0 HE ARG A 136 5.866 -1.942 -6.053 1.00 1.00 H new ATOM 0 HH11 ARG A 136 3.015 -2.952 -4.234 1.00 1.00 H new ATOM 0 HH12 ARG A 136 3.557 -4.625 -4.064 1.00 1.00 H new ATOM 0 HH21 ARG A 136 6.690 -4.062 -5.639 1.00 1.00 H new ATOM 0 HH22 ARG A 136 5.644 -5.255 -4.862 1.00 1.00 H new ATOM 38 N PRO A 137 6.124 2.489 -1.469 1.00 1.00 N ATOM 39 CA PRO A 137 6.696 3.817 -1.614 1.00 1.00 C ATOM 40 C PRO A 137 6.403 4.392 -3.002 1.00 1.00 C ATOM 41 O PRO A 137 6.948 3.923 -4.000 1.00 1.00 O ATOM 42 CB PRO A 137 8.183 3.635 -1.349 1.00 1.00 C ATOM 43 CG PRO A 137 8.458 2.151 -1.524 1.00 1.00 C ATOM 44 CD PRO A 137 7.123 1.427 -1.538 1.00 1.00 C ATOM 0 HA PRO A 137 6.266 4.539 -0.920 1.00 1.00 H new ATOM 0 HB2 PRO A 137 8.779 4.227 -2.043 1.00 1.00 H new ATOM 0 HB3 PRO A 137 8.444 3.965 -0.343 1.00 1.00 H new ATOM 0 HG2 PRO A 137 9.000 1.970 -2.452 1.00 1.00 H new ATOM 0 HG3 PRO A 137 9.084 1.781 -0.712 1.00 1.00 H new ATOM 0 HD2 PRO A 137 7.005 0.831 -2.443 1.00 1.00 H new ATOM 0 HD3 PRO A 137 7.034 0.744 -0.693 1.00 1.00 H new ATOM 52 N LEU A 138 5.543 5.401 -3.019 1.00 1.00 N ATOM 53 CA LEU A 138 5.253 6.115 -4.250 1.00 1.00 C ATOM 54 C LEU A 138 5.236 7.619 -3.971 1.00 1.00 C ATOM 55 O LEU A 138 4.841 8.409 -4.826 1.00 1.00 O ATOM 56 CB LEU A 138 3.960 5.593 -4.881 1.00 1.00 C ATOM 57 CG LEU A 138 4.035 4.199 -5.508 1.00 1.00 C ATOM 58 CD1 LEU A 138 2.638 3.668 -5.835 1.00 1.00 C ATOM 59 CD2 LEU A 138 4.951 4.197 -6.733 1.00 1.00 C ATOM 0 H LEU A 138 5.038 5.740 -2.200 1.00 1.00 H new ATOM 0 HA LEU A 138 6.036 5.935 -4.987 1.00 1.00 H new ATOM 0 HB2 LEU A 138 3.183 5.584 -4.116 1.00 1.00 H new ATOM 0 HB3 LEU A 138 3.643 6.299 -5.649 1.00 1.00 H new ATOM 0 HG LEU A 138 4.474 3.520 -4.777 1.00 1.00 H new ATOM 0 HD11 LEU A 138 2.721 2.676 -6.279 1.00 1.00 H new ATOM 0 HD12 LEU A 138 2.048 3.608 -4.920 1.00 1.00 H new ATOM 0 HD13 LEU A 138 2.148 4.341 -6.539 1.00 1.00 H new ATOM 0 HD21 LEU A 138 4.986 3.194 -7.159 1.00 1.00 H new ATOM 0 HD22 LEU A 138 4.565 4.894 -7.477 1.00 1.00 H new ATOM 0 HD23 LEU A 138 5.955 4.501 -6.437 1.00 1.00 H new ATOM 71 N ILE A 139 5.669 7.970 -2.769 1.00 1.00 N ATOM 72 CA ILE A 139 4.937 8.928 -1.959 1.00 1.00 C ATOM 73 C ILE A 139 3.442 8.812 -2.266 1.00 1.00 C ATOM 74 O ILE A 139 2.998 9.179 -3.353 1.00 1.00 O ATOM 75 CB ILE A 139 5.497 10.338 -2.158 1.00 1.00 C ATOM 76 CG1 ILE A 139 7.016 10.355 -1.975 1.00 1.00 C ATOM 77 CG2 ILE A 139 4.797 11.341 -1.239 1.00 1.00 C ATOM 78 CD1 ILE A 139 7.401 9.937 -0.554 1.00 1.00 C ATOM 0 H ILE A 139 6.519 7.607 -2.336 1.00 1.00 H new ATOM 0 HA ILE A 139 5.064 8.706 -0.899 1.00 1.00 H new ATOM 0 HB ILE A 139 5.293 10.645 -3.184 1.00 1.00 H new ATOM 0 HG12 ILE A 139 7.480 9.681 -2.695 1.00 1.00 H new ATOM 0 HG13 ILE A 139 7.400 11.354 -2.181 1.00 1.00 H new ATOM 0 HG21 ILE A 139 5.214 12.335 -1.401 1.00 1.00 H new ATOM 0 HG22 ILE A 139 3.730 11.355 -1.461 1.00 1.00 H new ATOM 0 HG23 ILE A 139 4.948 11.049 -0.200 1.00 1.00 H new ATOM 0 HD11 ILE A 139 8.486 9.957 -0.450 1.00 1.00 H new ATOM 0 HD12 ILE A 139 6.955 10.627 0.162 1.00 1.00 H new ATOM 0 HD13 ILE A 139 7.037 8.928 -0.360 1.00 1.00 H new ATOM 90 N HIS A 140 2.708 8.299 -1.290 1.00 1.00 N ATOM 91 CA HIS A 140 1.294 8.025 -1.482 1.00 1.00 C ATOM 92 C HIS A 140 0.468 8.917 -0.554 1.00 1.00 C ATOM 93 O HIS A 140 -0.212 8.423 0.346 1.00 1.00 O ATOM 94 CB HIS A 140 0.998 6.536 -1.292 1.00 1.00 C ATOM 95 CG HIS A 140 1.557 5.957 -0.014 1.00 1.00 C ATOM 96 ND1 HIS A 140 1.870 4.616 0.127 1.00 1.00 N ATOM 97 CD2 HIS A 140 1.857 6.550 1.178 1.00 1.00 C ATOM 98 CE1 HIS A 140 2.335 4.423 1.353 1.00 1.00 C ATOM 99 NE2 HIS A 140 2.326 5.622 2.002 1.00 1.00 N ATOM 0 H HIS A 140 3.066 8.066 -0.364 1.00 1.00 H new ATOM 0 HA HIS A 140 1.010 8.264 -2.507 1.00 1.00 H new ATOM 0 HB2 HIS A 140 -0.082 6.386 -1.305 1.00 1.00 H new ATOM 0 HB3 HIS A 140 1.407 5.984 -2.138 1.00 1.00 H new ATOM 0 HD1 HIS A 140 1.761 3.899 -0.590 1.00 1.00 H new ATOM 0 HD2 HIS A 140 1.734 7.597 1.411 1.00 1.00 H new ATOM 0 HE1 HIS A 140 2.664 3.481 1.766 1.00 1.00 H new ATOM 108 N PHE A 141 0.554 10.216 -0.801 1.00 1.00 N ATOM 109 CA PHE A 141 -0.331 11.163 -0.146 1.00 1.00 C ATOM 110 C PHE A 141 -1.713 10.551 0.089 1.00 1.00 C ATOM 111 O PHE A 141 -2.352 10.073 -0.848 1.00 1.00 O ATOM 112 CB PHE A 141 -0.472 12.366 -1.082 1.00 1.00 C ATOM 113 CG PHE A 141 0.531 13.488 -0.809 1.00 1.00 C ATOM 114 CD1 PHE A 141 1.813 13.186 -0.469 1.00 1.00 C ATOM 115 CD2 PHE A 141 0.142 14.787 -0.906 1.00 1.00 C ATOM 116 CE1 PHE A 141 2.745 14.228 -0.216 1.00 1.00 C ATOM 117 CE2 PHE A 141 1.073 15.829 -0.652 1.00 1.00 C ATOM 118 CZ PHE A 141 2.355 15.527 -0.312 1.00 1.00 C ATOM 0 H PHE A 141 1.224 10.635 -1.446 1.00 1.00 H new ATOM 0 HA PHE A 141 0.081 11.447 0.823 1.00 1.00 H new ATOM 0 HB2 PHE A 141 -0.352 12.028 -2.111 1.00 1.00 H new ATOM 0 HB3 PHE A 141 -1.482 12.766 -0.993 1.00 1.00 H new ATOM 0 HD1 PHE A 141 2.122 12.154 -0.391 1.00 1.00 H new ATOM 0 HD2 PHE A 141 -0.876 15.027 -1.176 1.00 1.00 H new ATOM 0 HE1 PHE A 141 3.763 13.988 0.053 1.00 1.00 H new ATOM 0 HE2 PHE A 141 0.763 16.861 -0.729 1.00 1.00 H new ATOM 0 HZ PHE A 141 3.063 16.319 -0.118 1.00 1.00 H new ATOM 128 N GLY A 142 -2.135 10.585 1.344 1.00 1.00 N ATOM 129 CA GLY A 142 -1.200 10.467 2.451 1.00 1.00 C ATOM 130 C GLY A 142 -1.745 9.532 3.532 1.00 1.00 C ATOM 131 O GLY A 142 -1.859 9.920 4.693 1.00 1.00 O ATOM 0 H GLY A 142 -3.111 10.692 1.619 1.00 1.00 H new ATOM 0 HA2 GLY A 142 -0.245 10.089 2.086 1.00 1.00 H new ATOM 0 HA3 GLY A 142 -1.011 11.452 2.878 1.00 1.00 H new ATOM 135 N ASN A 143 -2.065 8.317 3.111 1.00 1.00 N ATOM 136 CA ASN A 143 -2.932 7.456 3.899 1.00 1.00 C ATOM 137 C ASN A 143 -2.571 5.994 3.631 1.00 1.00 C ATOM 138 O ASN A 143 -2.945 5.108 4.399 1.00 1.00 O ATOM 139 CB ASN A 143 -4.400 7.658 3.521 1.00 1.00 C ATOM 140 CG ASN A 143 -5.301 7.576 4.755 1.00 1.00 C ATOM 141 OD1 ASN A 143 -6.025 8.499 5.089 1.00 1.00 O ATOM 142 ND2 ASN A 143 -5.216 6.422 5.411 1.00 1.00 N ATOM 0 H ASN A 143 -1.740 7.908 2.235 1.00 1.00 H new ATOM 0 HA ASN A 143 -2.793 7.708 4.950 1.00 1.00 H new ATOM 0 HB2 ASN A 143 -4.525 8.628 3.039 1.00 1.00 H new ATOM 0 HB3 ASN A 143 -4.700 6.901 2.796 1.00 1.00 H new ATOM 0 HD21 ASN A 143 -5.778 6.269 6.248 1.00 1.00 H new ATOM 0 HD22 ASN A 143 -4.589 5.690 5.077 1.00 1.00 H new ATOM 149 N ASP A 144 -1.847 5.787 2.540 1.00 1.00 N ATOM 150 CA ASP A 144 -1.433 4.446 2.162 1.00 1.00 C ATOM 151 C ASP A 144 -2.669 3.556 2.019 1.00 1.00 C ATOM 152 O ASP A 144 -2.802 2.554 2.720 1.00 1.00 O ATOM 153 CB ASP A 144 -0.525 3.828 3.226 1.00 1.00 C ATOM 154 CG ASP A 144 0.352 2.674 2.738 1.00 1.00 C ATOM 155 OD1 ASP A 144 0.094 2.205 1.608 1.00 1.00 O ATOM 156 OD2 ASP A 144 1.262 2.289 3.503 1.00 1.00 O ATOM 0 H ASP A 144 -1.537 6.524 1.907 1.00 1.00 H new ATOM 0 HA ASP A 144 -0.888 4.515 1.220 1.00 1.00 H new ATOM 0 HB2 ASP A 144 0.120 4.609 3.629 1.00 1.00 H new ATOM 0 HB3 ASP A 144 -1.145 3.470 4.048 1.00 1.00 H new ATOM 161 N TYR A 145 -3.544 3.953 1.107 1.00 1.00 N ATOM 162 CA TYR A 145 -4.699 3.139 0.771 1.00 1.00 C ATOM 163 C TYR A 145 -4.287 1.918 -0.055 1.00 1.00 C ATOM 164 O TYR A 145 -5.139 1.206 -0.584 1.00 1.00 O ATOM 165 CB TYR A 145 -5.611 4.027 -0.075 1.00 1.00 C ATOM 166 CG TYR A 145 -4.879 5.155 -0.806 1.00 1.00 C ATOM 167 CD1 TYR A 145 -4.119 4.875 -1.923 1.00 1.00 C ATOM 168 CD2 TYR A 145 -4.979 6.453 -0.346 1.00 1.00 C ATOM 169 CE1 TYR A 145 -3.430 5.935 -2.611 1.00 1.00 C ATOM 170 CE2 TYR A 145 -4.289 7.514 -1.034 1.00 1.00 C ATOM 171 CZ TYR A 145 -3.549 7.203 -2.132 1.00 1.00 C ATOM 172 OH TYR A 145 -2.898 8.205 -2.781 1.00 1.00 O ATOM 0 H TYR A 145 -3.476 4.829 0.590 1.00 1.00 H new ATOM 0 HA TYR A 145 -5.190 2.778 1.675 1.00 1.00 H new ATOM 0 HB2 TYR A 145 -6.126 3.407 -0.809 1.00 1.00 H new ATOM 0 HB3 TYR A 145 -6.376 4.461 0.568 1.00 1.00 H new ATOM 0 HD1 TYR A 145 -4.041 3.859 -2.282 1.00 1.00 H new ATOM 0 HD2 TYR A 145 -5.574 6.673 0.528 1.00 1.00 H new ATOM 0 HE1 TYR A 145 -2.833 5.729 -3.487 1.00 1.00 H new ATOM 0 HE2 TYR A 145 -4.358 8.534 -0.686 1.00 1.00 H new ATOM 0 HH TYR A 145 -2.631 8.893 -2.136 1.00 1.00 H new ATOM 182 N GLU A 146 -2.981 1.713 -0.138 1.00 1.00 N ATOM 183 CA GLU A 146 -2.427 0.813 -1.134 1.00 1.00 C ATOM 184 C GLU A 146 -2.289 -0.597 -0.559 1.00 1.00 C ATOM 185 O GLU A 146 -1.625 -1.450 -1.145 1.00 1.00 O ATOM 186 CB GLU A 146 -1.081 1.328 -1.650 1.00 1.00 C ATOM 187 CG GLU A 146 -1.148 2.825 -1.958 1.00 1.00 C ATOM 188 CD GLU A 146 0.208 3.348 -2.435 1.00 1.00 C ATOM 189 OE1 GLU A 146 1.224 2.890 -1.868 1.00 1.00 O ATOM 190 OE2 GLU A 146 0.199 4.193 -3.356 1.00 1.00 O ATOM 0 H GLU A 146 -2.290 2.155 0.469 1.00 1.00 H new ATOM 0 HA GLU A 146 -3.113 0.773 -1.980 1.00 1.00 H new ATOM 0 HB2 GLU A 146 -0.307 1.140 -0.906 1.00 1.00 H new ATOM 0 HB3 GLU A 146 -0.799 0.780 -2.549 1.00 1.00 H new ATOM 0 HG2 GLU A 146 -1.902 3.009 -2.723 1.00 1.00 H new ATOM 0 HG3 GLU A 146 -1.459 3.370 -1.066 1.00 1.00 H new ATOM 197 N ASP A 147 -2.930 -0.800 0.584 1.00 1.00 N ATOM 198 CA ASP A 147 -2.929 -2.107 1.220 1.00 1.00 C ATOM 199 C ASP A 147 -3.513 -3.140 0.254 1.00 1.00 C ATOM 200 O ASP A 147 -2.916 -4.192 0.030 1.00 1.00 O ATOM 201 CB ASP A 147 -3.790 -2.103 2.485 1.00 1.00 C ATOM 202 CG ASP A 147 -3.767 -3.406 3.286 1.00 1.00 C ATOM 203 OD1 ASP A 147 -2.646 -3.838 3.636 1.00 1.00 O ATOM 204 OD2 ASP A 147 -4.869 -3.943 3.530 1.00 1.00 O ATOM 0 H ASP A 147 -3.453 -0.082 1.085 1.00 1.00 H new ATOM 0 HA ASP A 147 -1.901 -2.354 1.484 1.00 1.00 H new ATOM 0 HB2 ASP A 147 -3.456 -1.291 3.131 1.00 1.00 H new ATOM 0 HB3 ASP A 147 -4.820 -1.884 2.205 1.00 1.00 H new ATOM 209 N ARG A 148 -4.673 -2.804 -0.292 1.00 1.00 N ATOM 210 CA ARG A 148 -5.494 -3.792 -0.971 1.00 1.00 C ATOM 211 C ARG A 148 -4.918 -4.101 -2.354 1.00 1.00 C ATOM 212 O ARG A 148 -5.288 -5.094 -2.977 1.00 1.00 O ATOM 213 CB ARG A 148 -6.934 -3.298 -1.125 1.00 1.00 C ATOM 214 CG ARG A 148 -7.602 -3.124 0.241 1.00 1.00 C ATOM 215 CD ARG A 148 -7.945 -4.480 0.861 1.00 1.00 C ATOM 216 NE ARG A 148 -6.876 -4.892 1.798 1.00 1.00 N ATOM 217 CZ ARG A 148 -6.614 -6.164 2.127 1.00 1.00 C ATOM 218 NH1 ARG A 148 -7.347 -7.156 1.601 1.00 1.00 N ATOM 219 NH2 ARG A 148 -5.621 -6.445 2.980 1.00 1.00 N ATOM 0 H ARG A 148 -5.063 -1.862 -0.278 1.00 1.00 H new ATOM 0 HA ARG A 148 -5.495 -4.697 -0.364 1.00 1.00 H new ATOM 0 HB2 ARG A 148 -6.942 -2.349 -1.661 1.00 1.00 H new ATOM 0 HB3 ARG A 148 -7.504 -4.008 -1.725 1.00 1.00 H new ATOM 0 HG2 ARG A 148 -6.938 -2.573 0.907 1.00 1.00 H new ATOM 0 HG3 ARG A 148 -8.509 -2.530 0.133 1.00 1.00 H new ATOM 0 HD2 ARG A 148 -8.898 -4.418 1.387 1.00 1.00 H new ATOM 0 HD3 ARG A 148 -8.062 -5.229 0.077 1.00 1.00 H new ATOM 0 HE ARG A 148 -6.303 -4.161 2.220 1.00 1.00 H new ATOM 0 HH11 ARG A 148 -8.103 -6.942 0.951 1.00 1.00 H new ATOM 0 HH12 ARG A 148 -7.148 -8.125 1.851 1.00 1.00 H new ATOM 0 HH21 ARG A 148 -5.063 -5.690 3.380 1.00 1.00 H new ATOM 0 HH22 ARG A 148 -5.422 -7.414 3.230 1.00 1.00 H new ATOM 233 N TYR A 149 -4.021 -3.229 -2.795 1.00 1.00 N ATOM 234 CA TYR A 149 -3.317 -3.449 -4.046 1.00 1.00 C ATOM 235 C TYR A 149 -1.975 -4.143 -3.806 1.00 1.00 C ATOM 236 O TYR A 149 -1.651 -5.125 -4.473 1.00 1.00 O ATOM 237 CB TYR A 149 -3.061 -2.061 -4.636 1.00 1.00 C ATOM 238 CG TYR A 149 -4.257 -1.112 -4.537 1.00 1.00 C ATOM 239 CD1 TYR A 149 -5.541 -1.604 -4.664 1.00 1.00 C ATOM 240 CD2 TYR A 149 -4.054 0.235 -4.320 1.00 1.00 C ATOM 241 CE1 TYR A 149 -6.667 -0.712 -4.571 1.00 1.00 C ATOM 242 CE2 TYR A 149 -5.180 1.128 -4.227 1.00 1.00 C ATOM 243 CZ TYR A 149 -6.431 0.610 -4.357 1.00 1.00 C ATOM 244 OH TYR A 149 -7.495 1.453 -4.269 1.00 1.00 O ATOM 0 H TYR A 149 -3.767 -2.370 -2.308 1.00 1.00 H new ATOM 0 HA TYR A 149 -3.904 -4.084 -4.710 1.00 1.00 H new ATOM 0 HB2 TYR A 149 -2.210 -1.611 -4.124 1.00 1.00 H new ATOM 0 HB3 TYR A 149 -2.782 -2.169 -5.684 1.00 1.00 H new ATOM 0 HD1 TYR A 149 -5.701 -2.659 -4.833 1.00 1.00 H new ATOM 0 HD2 TYR A 149 -3.050 0.620 -4.220 1.00 1.00 H new ATOM 0 HE1 TYR A 149 -7.676 -1.084 -4.669 1.00 1.00 H new ATOM 0 HE2 TYR A 149 -5.034 2.185 -4.058 1.00 1.00 H new ATOM 0 HH TYR A 149 -7.176 2.367 -4.114 1.00 1.00 H new ATOM 254 N TYR A 150 -1.230 -3.606 -2.851 1.00 1.00 N ATOM 255 CA TYR A 150 0.168 -3.972 -2.698 1.00 1.00 C ATOM 256 C TYR A 150 0.422 -4.606 -1.329 1.00 1.00 C ATOM 257 O TYR A 150 1.200 -4.082 -0.533 1.00 1.00 O ATOM 258 CB TYR A 150 0.958 -2.665 -2.797 1.00 1.00 C ATOM 259 CG TYR A 150 0.696 -1.874 -4.080 1.00 1.00 C ATOM 260 CD1 TYR A 150 0.333 -2.534 -5.236 1.00 1.00 C ATOM 261 CD2 TYR A 150 0.823 -0.500 -4.081 1.00 1.00 C ATOM 262 CE1 TYR A 150 0.086 -1.791 -6.443 1.00 1.00 C ATOM 263 CE2 TYR A 150 0.575 0.244 -5.289 1.00 1.00 C ATOM 264 CZ TYR A 150 0.219 -0.437 -6.410 1.00 1.00 C ATOM 265 OH TYR A 150 -0.014 0.266 -7.550 1.00 1.00 O ATOM 0 H TYR A 150 -1.568 -2.920 -2.176 1.00 1.00 H new ATOM 0 HA TYR A 150 0.461 -4.697 -3.458 1.00 1.00 H new ATOM 0 HB2 TYR A 150 0.712 -2.038 -1.940 1.00 1.00 H new ATOM 0 HB3 TYR A 150 2.023 -2.890 -2.732 1.00 1.00 H new ATOM 0 HD1 TYR A 150 0.234 -3.609 -5.235 1.00 1.00 H new ATOM 0 HD2 TYR A 150 1.108 0.017 -3.177 1.00 1.00 H new ATOM 0 HE1 TYR A 150 -0.198 -2.296 -7.354 1.00 1.00 H new ATOM 0 HE2 TYR A 150 0.670 1.320 -5.304 1.00 1.00 H new ATOM 0 HH TYR A 150 0.118 1.222 -7.378 1.00 1.00 H new ATOM 275 N ARG A 151 -0.250 -5.723 -1.096 1.00 1.00 N ATOM 276 CA ARG A 151 -0.308 -6.298 0.237 1.00 1.00 C ATOM 277 C ARG A 151 0.928 -7.161 0.498 1.00 1.00 C ATOM 278 O ARG A 151 0.808 -8.311 0.917 1.00 1.00 O ATOM 279 CB ARG A 151 -1.565 -7.151 0.414 1.00 1.00 C ATOM 280 CG ARG A 151 -1.806 -8.034 -0.812 1.00 1.00 C ATOM 281 CD ARG A 151 -2.230 -9.444 -0.397 1.00 1.00 C ATOM 282 NE ARG A 151 -1.087 -10.159 0.211 1.00 1.00 N ATOM 283 CZ ARG A 151 -1.204 -11.086 1.172 1.00 1.00 C ATOM 284 NH1 ARG A 151 -2.415 -11.405 1.650 1.00 1.00 N ATOM 285 NH2 ARG A 151 -0.112 -11.695 1.654 1.00 1.00 N ATOM 0 H ARG A 151 -0.760 -6.246 -1.808 1.00 1.00 H new ATOM 0 HA ARG A 151 -0.337 -5.476 0.952 1.00 1.00 H new ATOM 0 HB2 ARG A 151 -1.463 -7.775 1.302 1.00 1.00 H new ATOM 0 HB3 ARG A 151 -2.428 -6.505 0.576 1.00 1.00 H new ATOM 0 HG2 ARG A 151 -2.578 -7.588 -1.440 1.00 1.00 H new ATOM 0 HG3 ARG A 151 -0.897 -8.085 -1.412 1.00 1.00 H new ATOM 0 HD2 ARG A 151 -3.055 -9.390 0.313 1.00 1.00 H new ATOM 0 HD3 ARG A 151 -2.593 -9.994 -1.266 1.00 1.00 H new ATOM 0 HE ARG A 151 -0.150 -9.932 -0.122 1.00 1.00 H new ATOM 0 HH11 ARG A 151 -3.246 -10.942 1.282 1.00 1.00 H new ATOM 0 HH12 ARG A 151 -2.505 -12.110 2.381 1.00 1.00 H new ATOM 0 HH21 ARG A 151 0.809 -11.453 1.290 1.00 1.00 H new ATOM 0 HH22 ARG A 151 -0.202 -12.400 2.385 1.00 1.00 H new ATOM 299 N GLU A 152 2.087 -6.573 0.238 1.00 1.00 N ATOM 300 CA GLU A 152 3.338 -7.150 0.700 1.00 1.00 C ATOM 301 C GLU A 152 3.630 -6.705 2.135 1.00 1.00 C ATOM 302 O GLU A 152 4.783 -6.464 2.490 1.00 1.00 O ATOM 303 CB GLU A 152 4.490 -6.778 -0.235 1.00 1.00 C ATOM 304 CG GLU A 152 4.323 -7.441 -1.603 1.00 1.00 C ATOM 305 CD GLU A 152 4.089 -6.395 -2.695 1.00 1.00 C ATOM 306 OE1 GLU A 152 3.011 -5.764 -2.654 1.00 1.00 O ATOM 307 OE2 GLU A 152 4.994 -6.251 -3.546 1.00 1.00 O ATOM 0 H GLU A 152 2.186 -5.704 -0.286 1.00 1.00 H new ATOM 0 HA GLU A 152 3.241 -8.236 0.690 1.00 1.00 H new ATOM 0 HB2 GLU A 152 4.531 -5.695 -0.354 1.00 1.00 H new ATOM 0 HB3 GLU A 152 5.437 -7.086 0.209 1.00 1.00 H new ATOM 0 HG2 GLU A 152 5.212 -8.025 -1.839 1.00 1.00 H new ATOM 0 HG3 GLU A 152 3.484 -8.136 -1.574 1.00 1.00 H new ATOM 314 N ASN A 153 2.567 -6.609 2.918 1.00 1.00 N ATOM 315 CA ASN A 153 2.685 -6.124 4.284 1.00 1.00 C ATOM 316 C ASN A 153 1.648 -6.828 5.161 1.00 1.00 C ATOM 317 O ASN A 153 1.250 -6.304 6.200 1.00 1.00 O ATOM 318 CB ASN A 153 2.423 -4.618 4.357 1.00 1.00 C ATOM 319 CG ASN A 153 1.112 -4.255 3.659 1.00 1.00 C ATOM 320 OD1 ASN A 153 1.084 -3.829 2.516 1.00 1.00 O ATOM 321 ND2 ASN A 153 0.029 -4.446 4.407 1.00 1.00 N ATOM 0 H ASN A 153 1.620 -6.858 2.634 1.00 1.00 H new ATOM 0 HA ASN A 153 3.698 -6.331 4.630 1.00 1.00 H new ATOM 0 HB2 ASN A 153 2.383 -4.302 5.400 1.00 1.00 H new ATOM 0 HB3 ASN A 153 3.248 -4.079 3.892 1.00 1.00 H new ATOM 0 HD21 ASN A 153 -0.895 -4.233 4.031 1.00 1.00 H new ATOM 0 HD22 ASN A 153 0.122 -4.806 5.357 1.00 1.00 H new ATOM 328 N MET A 154 1.240 -8.005 4.711 1.00 1.00 N ATOM 329 CA MET A 154 0.155 -8.720 5.362 1.00 1.00 C ATOM 330 C MET A 154 0.271 -10.227 5.123 1.00 1.00 C ATOM 331 O MET A 154 0.922 -10.661 4.174 1.00 1.00 O ATOM 332 CB MET A 154 -1.185 -8.219 4.820 1.00 1.00 C ATOM 333 CG MET A 154 -2.331 -8.592 5.763 1.00 1.00 C ATOM 334 SD MET A 154 -3.835 -7.779 5.247 1.00 1.00 S ATOM 335 CE MET A 154 -3.533 -6.138 5.880 1.00 1.00 C ATOM 0 H MET A 154 1.641 -8.482 3.903 1.00 1.00 H new ATOM 0 HA MET A 154 0.215 -8.535 6.435 1.00 1.00 H new ATOM 0 HB2 MET A 154 -1.149 -7.137 4.695 1.00 1.00 H new ATOM 0 HB3 MET A 154 -1.366 -8.648 3.834 1.00 1.00 H new ATOM 0 HG2 MET A 154 -2.474 -9.673 5.765 1.00 1.00 H new ATOM 0 HG3 MET A 154 -2.082 -8.301 6.784 1.00 1.00 H new ATOM 0 HE1 MET A 154 -4.434 -5.534 5.771 1.00 1.00 H new ATOM 0 HE2 MET A 154 -3.263 -6.199 6.934 1.00 1.00 H new ATOM 0 HE3 MET A 154 -2.718 -5.677 5.322 1.00 1.00 H new ATOM 345 N TYR A 155 -0.371 -10.985 6.001 1.00 1.00 N ATOM 346 CA TYR A 155 -0.567 -12.404 5.762 1.00 1.00 C ATOM 347 C TYR A 155 -1.318 -12.642 4.451 1.00 1.00 C ATOM 348 O TYR A 155 -0.795 -13.428 3.632 1.00 1.00 O ATOM 349 CB TYR A 155 -1.421 -12.913 6.926 1.00 1.00 C ATOM 350 CG TYR A 155 -0.819 -12.641 8.306 1.00 1.00 C ATOM 351 CD1 TYR A 155 0.375 -13.231 8.666 1.00 1.00 C ATOM 352 CD2 TYR A 155 -1.471 -11.806 9.190 1.00 1.00 C ATOM 353 CE1 TYR A 155 0.942 -12.975 9.965 1.00 1.00 C ATOM 354 CE2 TYR A 155 -0.904 -11.550 10.489 1.00 1.00 C ATOM 355 CZ TYR A 155 0.274 -12.148 10.812 1.00 1.00 C ATOM 356 OH TYR A 155 0.809 -11.905 12.039 1.00 1.00 O ATOM 357 OXT TYR A 155 -2.399 -12.032 4.298 1.00 1.00 O ATOM 0 H TYR A 155 -0.762 -10.642 6.879 1.00 1.00 H new ATOM 0 HA TYR A 155 0.392 -12.917 5.691 1.00 1.00 H new ATOM 0 HB2 TYR A 155 -2.405 -12.447 6.872 1.00 1.00 H new ATOM 0 HB3 TYR A 155 -1.570 -13.987 6.811 1.00 1.00 H new ATOM 0 HD1 TYR A 155 0.885 -13.885 7.974 1.00 1.00 H new ATOM 0 HD2 TYR A 155 -2.406 -11.345 8.908 1.00 1.00 H new ATOM 0 HE1 TYR A 155 1.876 -13.430 10.259 1.00 1.00 H new ATOM 0 HE2 TYR A 155 -1.403 -10.898 11.191 1.00 1.00 H new ATOM 0 HH TYR A 155 0.224 -11.296 12.536 1.00 1.00 H new