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 Set 1.1: A 135 SER OG : rot -53:sc= 0.288 USER MOD Set 1.2: A 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 140 HIS : no HE2:sc= -1.7 K(o=-1.7,f=-5.7!) USER MOD Single : A 143 ASN : amide:sc= 0.811 K(o=0.81,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= 1.11 K(o=1.1,f=-8.3!) USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 135 -0.463 0.889 4.604 1.00 1.00 N ATOM 2 CA SER A 135 0.718 0.406 5.298 1.00 1.00 C ATOM 3 C SER A 135 1.800 -0.026 4.305 1.00 1.00 C ATOM 4 O SER A 135 2.337 -1.128 4.408 1.00 1.00 O ATOM 5 CB SER A 135 0.265 -0.815 6.102 1.00 1.00 C ATOM 6 OG SER A 135 1.285 -1.287 6.978 1.00 1.00 O ATOM 0 HA SER A 135 1.140 1.189 5.928 1.00 1.00 H new ATOM 0 HB2 SER A 135 -0.621 -0.558 6.683 1.00 1.00 H new ATOM 0 HB3 SER A 135 -0.023 -1.613 5.418 1.00 1.00 H new ATOM 0 HG SER A 135 2.107 -1.443 6.468 1.00 1.00 H new ATOM 14 N ARG A 136 2.086 0.865 3.368 1.00 1.00 N ATOM 15 CA ARG A 136 3.032 0.558 2.309 1.00 1.00 C ATOM 16 C ARG A 136 3.695 1.841 1.801 1.00 1.00 C ATOM 17 O ARG A 136 3.012 2.821 1.504 1.00 1.00 O ATOM 18 CB ARG A 136 2.341 -0.147 1.140 1.00 1.00 C ATOM 19 CG ARG A 136 3.327 -0.414 0.001 1.00 1.00 C ATOM 20 CD ARG A 136 2.694 -1.298 -1.076 1.00 1.00 C ATOM 21 NE ARG A 136 3.659 -1.525 -2.176 1.00 1.00 N ATOM 22 CZ ARG A 136 4.494 -2.571 -2.238 1.00 1.00 C ATOM 23 NH1 ARG A 136 4.558 -3.439 -1.220 1.00 1.00 N ATOM 24 NH2 ARG A 136 5.267 -2.746 -3.319 1.00 1.00 N ATOM 0 H ARG A 136 1.680 1.799 3.320 1.00 1.00 H new ATOM 0 HA ARG A 136 3.789 -0.107 2.724 1.00 1.00 H new ATOM 0 HB2 ARG A 136 1.911 -1.088 1.481 1.00 1.00 H new ATOM 0 HB3 ARG A 136 1.517 0.467 0.776 1.00 1.00 H new ATOM 0 HG2 ARG A 136 3.644 0.531 -0.439 1.00 1.00 H new ATOM 0 HG3 ARG A 136 4.221 -0.898 0.395 1.00 1.00 H new ATOM 0 HD2 ARG A 136 2.392 -2.252 -0.644 1.00 1.00 H new ATOM 0 HD3 ARG A 136 1.793 -0.824 -1.464 1.00 1.00 H new ATOM 0 HE ARG A 136 3.690 -0.843 -2.934 1.00 1.00 H new ATOM 0 HH11 ARG A 136 3.971 -3.304 -0.397 1.00 1.00 H new ATOM 0 HH12 ARG A 136 5.194 -4.235 -1.268 1.00 1.00 H new ATOM 0 HH21 ARG A 136 5.219 -2.083 -4.093 1.00 1.00 H new ATOM 0 HH22 ARG A 136 5.903 -3.542 -3.368 1.00 1.00 H new ATOM 38 N PRO A 137 5.051 1.792 1.715 1.00 1.00 N ATOM 39 CA PRO A 137 5.789 2.787 0.955 1.00 1.00 C ATOM 40 C PRO A 137 5.649 2.543 -0.548 1.00 1.00 C ATOM 41 O PRO A 137 6.009 1.476 -1.043 1.00 1.00 O ATOM 42 CB PRO A 137 7.223 2.672 1.446 1.00 1.00 C ATOM 43 CG PRO A 137 7.326 1.313 2.117 1.00 1.00 C ATOM 44 CD PRO A 137 5.915 0.792 2.336 1.00 1.00 C ATOM 0 HA PRO A 137 5.411 3.798 1.106 1.00 1.00 H new ATOM 0 HB2 PRO A 137 7.927 2.753 0.618 1.00 1.00 H new ATOM 0 HB3 PRO A 137 7.461 3.472 2.146 1.00 1.00 H new ATOM 0 HG2 PRO A 137 7.895 0.622 1.495 1.00 1.00 H new ATOM 0 HG3 PRO A 137 7.854 1.396 3.067 1.00 1.00 H new ATOM 0 HD2 PRO A 137 5.779 -0.188 1.878 1.00 1.00 H new ATOM 0 HD3 PRO A 137 5.694 0.682 3.398 1.00 1.00 H new ATOM 52 N LEU A 138 5.128 3.549 -1.234 1.00 1.00 N ATOM 53 CA LEU A 138 5.024 3.495 -2.682 1.00 1.00 C ATOM 54 C LEU A 138 5.171 4.908 -3.253 1.00 1.00 C ATOM 55 O LEU A 138 4.862 5.145 -4.419 1.00 1.00 O ATOM 56 CB LEU A 138 3.731 2.794 -3.102 1.00 1.00 C ATOM 57 CG LEU A 138 3.883 1.653 -4.109 1.00 1.00 C ATOM 58 CD1 LEU A 138 2.548 0.944 -4.340 1.00 1.00 C ATOM 59 CD2 LEU A 138 4.500 2.154 -5.417 1.00 1.00 C ATOM 0 H LEU A 138 4.773 4.408 -0.813 1.00 1.00 H new ATOM 0 HA LEU A 138 5.833 2.896 -3.099 1.00 1.00 H new ATOM 0 HB2 LEU A 138 3.247 2.401 -2.208 1.00 1.00 H new ATOM 0 HB3 LEU A 138 3.058 3.539 -3.526 1.00 1.00 H new ATOM 0 HG LEU A 138 4.570 0.917 -3.690 1.00 1.00 H new ATOM 0 HD11 LEU A 138 2.684 0.137 -5.060 1.00 1.00 H new ATOM 0 HD12 LEU A 138 2.187 0.532 -3.398 1.00 1.00 H new ATOM 0 HD13 LEU A 138 1.820 1.657 -4.727 1.00 1.00 H new ATOM 0 HD21 LEU A 138 4.597 1.323 -6.115 1.00 1.00 H new ATOM 0 HD22 LEU A 138 3.858 2.920 -5.852 1.00 1.00 H new ATOM 0 HD23 LEU A 138 5.485 2.576 -5.217 1.00 1.00 H new ATOM 71 N ILE A 139 5.643 5.808 -2.403 1.00 1.00 N ATOM 72 CA ILE A 139 4.951 7.067 -2.186 1.00 1.00 C ATOM 73 C ILE A 139 3.444 6.811 -2.126 1.00 1.00 C ATOM 74 O ILE A 139 2.869 6.246 -3.055 1.00 1.00 O ATOM 75 CB ILE A 139 5.359 8.093 -3.244 1.00 1.00 C ATOM 76 CG1 ILE A 139 6.879 8.136 -3.410 1.00 1.00 C ATOM 77 CG2 ILE A 139 4.779 9.472 -2.924 1.00 1.00 C ATOM 78 CD1 ILE A 139 7.553 8.690 -2.153 1.00 1.00 C ATOM 0 H ILE A 139 6.496 5.690 -1.856 1.00 1.00 H new ATOM 0 HA ILE A 139 5.240 7.500 -1.228 1.00 1.00 H new ATOM 0 HB ILE A 139 4.939 7.781 -4.200 1.00 1.00 H new ATOM 0 HG12 ILE A 139 7.254 7.134 -3.616 1.00 1.00 H new ATOM 0 HG13 ILE A 139 7.137 8.756 -4.269 1.00 1.00 H new ATOM 0 HG21 ILE A 139 5.085 10.182 -3.692 1.00 1.00 H new ATOM 0 HG22 ILE A 139 3.691 9.412 -2.897 1.00 1.00 H new ATOM 0 HG23 ILE A 139 5.148 9.806 -1.954 1.00 1.00 H new ATOM 0 HD11 ILE A 139 8.633 8.710 -2.298 1.00 1.00 H new ATOM 0 HD12 ILE A 139 7.194 9.701 -1.963 1.00 1.00 H new ATOM 0 HD13 ILE A 139 7.313 8.054 -1.301 1.00 1.00 H new ATOM 90 N HIS A 140 2.846 7.238 -1.023 1.00 1.00 N ATOM 91 CA HIS A 140 1.483 6.845 -0.709 1.00 1.00 C ATOM 92 C HIS A 140 0.683 8.072 -0.267 1.00 1.00 C ATOM 93 O HIS A 140 -0.055 8.014 0.715 1.00 1.00 O ATOM 94 CB HIS A 140 1.468 5.720 0.329 1.00 1.00 C ATOM 95 CG HIS A 140 2.017 6.123 1.677 1.00 1.00 C ATOM 96 ND1 HIS A 140 2.188 5.223 2.716 1.00 1.00 N ATOM 97 CD2 HIS A 140 2.431 7.335 2.145 1.00 1.00 C ATOM 98 CE1 HIS A 140 2.683 5.877 3.757 1.00 1.00 C ATOM 99 NE2 HIS A 140 2.833 7.185 3.401 1.00 1.00 N ATOM 0 H HIS A 140 3.281 7.853 -0.335 1.00 1.00 H new ATOM 0 HA HIS A 140 1.001 6.444 -1.601 1.00 1.00 H new ATOM 0 HB2 HIS A 140 0.444 5.369 0.455 1.00 1.00 H new ATOM 0 HB3 HIS A 140 2.048 4.880 -0.052 1.00 1.00 H new ATOM 0 HD1 HIS A 140 1.970 4.227 2.685 1.00 1.00 H new ATOM 0 HD2 HIS A 140 2.432 8.260 1.588 1.00 1.00 H new ATOM 0 HE1 HIS A 140 2.925 5.449 4.719 1.00 1.00 H new ATOM 108 N PHE A 141 0.857 9.152 -1.014 1.00 1.00 N ATOM 109 CA PHE A 141 -0.088 10.254 -0.966 1.00 1.00 C ATOM 110 C PHE A 141 -1.510 9.747 -0.714 1.00 1.00 C ATOM 111 O PHE A 141 -2.011 8.902 -1.453 1.00 1.00 O ATOM 112 CB PHE A 141 -0.040 10.944 -2.331 1.00 1.00 C ATOM 113 CG PHE A 141 1.136 11.908 -2.500 1.00 1.00 C ATOM 114 CD1 PHE A 141 1.166 13.072 -1.798 1.00 1.00 C ATOM 115 CD2 PHE A 141 2.150 11.602 -3.353 1.00 1.00 C ATOM 116 CE1 PHE A 141 2.257 13.968 -1.954 1.00 1.00 C ATOM 117 CE2 PHE A 141 3.241 12.497 -3.510 1.00 1.00 C ATOM 118 CZ PHE A 141 3.272 13.662 -2.807 1.00 1.00 C ATOM 0 H PHE A 141 1.638 9.287 -1.656 1.00 1.00 H new ATOM 0 HA PHE A 141 0.175 10.935 -0.156 1.00 1.00 H new ATOM 0 HB2 PHE A 141 0.013 10.183 -3.110 1.00 1.00 H new ATOM 0 HB3 PHE A 141 -0.970 11.492 -2.483 1.00 1.00 H new ATOM 0 HD1 PHE A 141 0.360 13.315 -1.122 1.00 1.00 H new ATOM 0 HD2 PHE A 141 2.125 10.678 -3.911 1.00 1.00 H new ATOM 0 HE1 PHE A 141 2.281 14.892 -1.396 1.00 1.00 H new ATOM 0 HE2 PHE A 141 4.046 12.253 -4.187 1.00 1.00 H new ATOM 0 HZ PHE A 141 4.102 14.343 -2.926 1.00 1.00 H new ATOM 128 N GLY A 142 -2.118 10.286 0.332 1.00 1.00 N ATOM 129 CA GLY A 142 -1.387 10.587 1.551 1.00 1.00 C ATOM 130 C GLY A 142 -2.081 9.981 2.772 1.00 1.00 C ATOM 131 O GLY A 142 -2.376 10.686 3.736 1.00 1.00 O ATOM 0 H GLY A 142 -3.110 10.522 0.361 1.00 1.00 H new ATOM 0 HA2 GLY A 142 -0.372 10.198 1.475 1.00 1.00 H new ATOM 0 HA3 GLY A 142 -1.306 11.667 1.673 1.00 1.00 H new ATOM 135 N ASN A 143 -2.322 8.680 2.691 1.00 1.00 N ATOM 136 CA ASN A 143 -3.332 8.054 3.528 1.00 1.00 C ATOM 137 C ASN A 143 -2.975 6.579 3.731 1.00 1.00 C ATOM 138 O ASN A 143 -3.515 5.923 4.621 1.00 1.00 O ATOM 139 CB ASN A 143 -4.711 8.119 2.870 1.00 1.00 C ATOM 140 CG ASN A 143 -5.804 8.369 3.911 1.00 1.00 C ATOM 141 OD1 ASN A 143 -6.520 9.356 3.873 1.00 1.00 O ATOM 142 ND2 ASN A 143 -5.893 7.420 4.839 1.00 1.00 N ATOM 0 H ASN A 143 -1.836 8.043 2.060 1.00 1.00 H new ATOM 0 HA ASN A 143 -3.361 8.587 4.478 1.00 1.00 H new ATOM 0 HB2 ASN A 143 -4.725 8.914 2.125 1.00 1.00 H new ATOM 0 HB3 ASN A 143 -4.911 7.186 2.344 1.00 1.00 H new ATOM 0 HD21 ASN A 143 -6.593 7.493 5.578 1.00 1.00 H new ATOM 0 HD22 ASN A 143 -5.262 6.619 4.812 1.00 1.00 H new ATOM 149 N ASP A 144 -2.069 6.101 2.891 1.00 1.00 N ATOM 150 CA ASP A 144 -1.360 4.866 3.178 1.00 1.00 C ATOM 151 C ASP A 144 -2.360 3.708 3.224 1.00 1.00 C ATOM 152 O ASP A 144 -2.425 2.979 4.213 1.00 1.00 O ATOM 153 CB ASP A 144 -0.657 4.938 4.535 1.00 1.00 C ATOM 154 CG ASP A 144 0.448 3.900 4.746 1.00 1.00 C ATOM 155 OD1 ASP A 144 0.751 3.186 3.765 1.00 1.00 O ATOM 156 OD2 ASP A 144 0.965 3.844 5.883 1.00 1.00 O ATOM 0 H ASP A 144 -1.810 6.547 2.011 1.00 1.00 H new ATOM 0 HA ASP A 144 -0.618 4.713 2.395 1.00 1.00 H new ATOM 0 HB2 ASP A 144 -0.228 5.933 4.653 1.00 1.00 H new ATOM 0 HB3 ASP A 144 -1.403 4.818 5.321 1.00 1.00 H new ATOM 161 N TYR A 145 -3.113 3.575 2.142 1.00 1.00 N ATOM 162 CA TYR A 145 -4.254 2.676 2.132 1.00 1.00 C ATOM 163 C TYR A 145 -4.253 1.805 0.873 1.00 1.00 C ATOM 164 O TYR A 145 -5.120 0.949 0.706 1.00 1.00 O ATOM 165 CB TYR A 145 -5.495 3.570 2.118 1.00 1.00 C ATOM 166 CG TYR A 145 -5.772 4.231 0.766 1.00 1.00 C ATOM 167 CD1 TYR A 145 -4.986 5.281 0.338 1.00 1.00 C ATOM 168 CD2 TYR A 145 -6.808 3.776 -0.026 1.00 1.00 C ATOM 169 CE1 TYR A 145 -5.246 5.903 -0.934 1.00 1.00 C ATOM 170 CE2 TYR A 145 -7.068 4.398 -1.298 1.00 1.00 C ATOM 171 CZ TYR A 145 -6.274 5.432 -1.690 1.00 1.00 C ATOM 172 OH TYR A 145 -6.520 6.019 -2.891 1.00 1.00 O ATOM 0 H TYR A 145 -2.955 4.074 1.267 1.00 1.00 H new ATOM 0 HA TYR A 145 -4.228 2.012 2.996 1.00 1.00 H new ATOM 0 HB2 TYR A 145 -6.362 2.975 2.404 1.00 1.00 H new ATOM 0 HB3 TYR A 145 -5.379 4.347 2.874 1.00 1.00 H new ATOM 0 HD1 TYR A 145 -4.176 5.636 0.957 1.00 1.00 H new ATOM 0 HD2 TYR A 145 -7.423 2.954 0.309 1.00 1.00 H new ATOM 0 HE1 TYR A 145 -4.638 6.726 -1.280 1.00 1.00 H new ATOM 0 HE2 TYR A 145 -7.875 4.052 -1.927 1.00 1.00 H new ATOM 0 HH TYR A 145 -7.282 5.578 -3.321 1.00 1.00 H new ATOM 182 N GLU A 146 -3.270 2.055 0.020 1.00 1.00 N ATOM 183 CA GLU A 146 -3.212 1.389 -1.270 1.00 1.00 C ATOM 184 C GLU A 146 -2.668 -0.032 -1.110 1.00 1.00 C ATOM 185 O GLU A 146 -2.266 -0.660 -2.088 1.00 1.00 O ATOM 186 CB GLU A 146 -2.368 2.191 -2.263 1.00 1.00 C ATOM 187 CG GLU A 146 -2.632 3.691 -2.121 1.00 1.00 C ATOM 188 CD GLU A 146 -1.559 4.358 -1.259 1.00 1.00 C ATOM 189 OE1 GLU A 146 -0.466 4.614 -1.809 1.00 1.00 O ATOM 190 OE2 GLU A 146 -1.855 4.597 -0.067 1.00 1.00 O ATOM 0 H GLU A 146 -2.508 2.709 0.197 1.00 1.00 H new ATOM 0 HA GLU A 146 -4.224 1.326 -1.671 1.00 1.00 H new ATOM 0 HB2 GLU A 146 -1.311 1.987 -2.095 1.00 1.00 H new ATOM 0 HB3 GLU A 146 -2.596 1.873 -3.280 1.00 1.00 H new ATOM 0 HG2 GLU A 146 -2.652 4.155 -3.107 1.00 1.00 H new ATOM 0 HG3 GLU A 146 -3.613 3.850 -1.674 1.00 1.00 H new ATOM 197 N ASP A 147 -2.673 -0.497 0.131 1.00 1.00 N ATOM 198 CA ASP A 147 -2.116 -1.802 0.442 1.00 1.00 C ATOM 199 C ASP A 147 -2.762 -2.857 -0.459 1.00 1.00 C ATOM 200 O ASP A 147 -2.073 -3.715 -1.010 1.00 1.00 O ATOM 201 CB ASP A 147 -2.397 -2.188 1.896 1.00 1.00 C ATOM 202 CG ASP A 147 -1.602 -1.399 2.939 1.00 1.00 C ATOM 203 OD1 ASP A 147 -0.460 -1.013 2.609 1.00 1.00 O ATOM 204 OD2 ASP A 147 -2.155 -1.200 4.042 1.00 1.00 O ATOM 0 H ASP A 147 -3.054 0.007 0.932 1.00 1.00 H new ATOM 0 HA ASP A 147 -1.039 -1.755 0.282 1.00 1.00 H new ATOM 0 HB2 ASP A 147 -3.460 -2.053 2.093 1.00 1.00 H new ATOM 0 HB3 ASP A 147 -2.181 -3.249 2.023 1.00 1.00 H new ATOM 209 N ARG A 148 -4.078 -2.759 -0.582 1.00 1.00 N ATOM 210 CA ARG A 148 -4.862 -3.853 -1.126 1.00 1.00 C ATOM 211 C ARG A 148 -4.632 -3.973 -2.634 1.00 1.00 C ATOM 212 O ARG A 148 -5.010 -4.970 -3.247 1.00 1.00 O ATOM 213 CB ARG A 148 -6.355 -3.647 -0.860 1.00 1.00 C ATOM 214 CG ARG A 148 -6.641 -3.584 0.641 1.00 1.00 C ATOM 215 CD ARG A 148 -6.332 -4.923 1.314 1.00 1.00 C ATOM 216 NE ARG A 148 -4.959 -4.907 1.867 1.00 1.00 N ATOM 217 CZ ARG A 148 -4.155 -5.978 1.914 1.00 1.00 C ATOM 218 NH1 ARG A 148 -4.568 -7.147 1.405 1.00 1.00 N ATOM 219 NH2 ARG A 148 -2.940 -5.881 2.469 1.00 1.00 N ATOM 0 H ARG A 148 -4.620 -1.938 -0.314 1.00 1.00 H new ATOM 0 HA ARG A 148 -4.539 -4.769 -0.632 1.00 1.00 H new ATOM 0 HB2 ARG A 148 -6.689 -2.725 -1.336 1.00 1.00 H new ATOM 0 HB3 ARG A 148 -6.924 -4.462 -1.308 1.00 1.00 H new ATOM 0 HG2 ARG A 148 -6.041 -2.797 1.097 1.00 1.00 H new ATOM 0 HG3 ARG A 148 -7.686 -3.323 0.805 1.00 1.00 H new ATOM 0 HD2 ARG A 148 -7.051 -5.114 2.110 1.00 1.00 H new ATOM 0 HD3 ARG A 148 -6.433 -5.734 0.593 1.00 1.00 H new ATOM 0 HE ARG A 148 -4.602 -4.025 2.235 1.00 1.00 H new ATOM 0 HH11 ARG A 148 -5.493 -7.221 0.982 1.00 1.00 H new ATOM 0 HH12 ARG A 148 -3.957 -7.963 1.440 1.00 1.00 H new ATOM 0 HH21 ARG A 148 -2.626 -4.991 2.856 1.00 1.00 H new ATOM 0 HH22 ARG A 148 -2.329 -6.697 2.504 1.00 1.00 H new ATOM 233 N TYR A 149 -4.012 -2.941 -3.189 1.00 1.00 N ATOM 234 CA TYR A 149 -3.730 -2.917 -4.614 1.00 1.00 C ATOM 235 C TYR A 149 -2.329 -3.456 -4.906 1.00 1.00 C ATOM 236 O TYR A 149 -2.091 -4.036 -5.964 1.00 1.00 O ATOM 237 CB TYR A 149 -3.795 -1.445 -5.031 1.00 1.00 C ATOM 238 CG TYR A 149 -5.178 -0.812 -4.865 1.00 1.00 C ATOM 239 CD1 TYR A 149 -5.570 -0.322 -3.636 1.00 1.00 C ATOM 240 CD2 TYR A 149 -6.034 -0.730 -5.945 1.00 1.00 C ATOM 241 CE1 TYR A 149 -6.872 0.274 -3.480 1.00 1.00 C ATOM 242 CE2 TYR A 149 -7.335 -0.134 -5.789 1.00 1.00 C ATOM 243 CZ TYR A 149 -7.690 0.339 -4.564 1.00 1.00 C ATOM 244 OH TYR A 149 -8.919 0.901 -4.417 1.00 1.00 O ATOM 0 H TYR A 149 -3.698 -2.116 -2.678 1.00 1.00 H new ATOM 0 HA TYR A 149 -4.443 -3.538 -5.157 1.00 1.00 H new ATOM 0 HB2 TYR A 149 -3.074 -0.879 -4.441 1.00 1.00 H new ATOM 0 HB3 TYR A 149 -3.490 -1.360 -6.074 1.00 1.00 H new ATOM 0 HD1 TYR A 149 -4.900 -0.385 -2.791 1.00 1.00 H new ATOM 0 HD2 TYR A 149 -5.728 -1.113 -6.907 1.00 1.00 H new ATOM 0 HE1 TYR A 149 -7.191 0.661 -2.523 1.00 1.00 H new ATOM 0 HE2 TYR A 149 -8.014 -0.064 -6.626 1.00 1.00 H new ATOM 0 HH TYR A 149 -9.393 0.880 -5.274 1.00 1.00 H new ATOM 254 N TYR A 150 -1.438 -3.245 -3.949 1.00 1.00 N ATOM 255 CA TYR A 150 -0.044 -3.615 -4.129 1.00 1.00 C ATOM 256 C TYR A 150 0.520 -4.261 -2.861 1.00 1.00 C ATOM 257 O TYR A 150 1.451 -3.735 -2.254 1.00 1.00 O ATOM 258 CB TYR A 150 0.708 -2.311 -4.400 1.00 1.00 C ATOM 259 CG TYR A 150 0.321 -1.631 -5.715 1.00 1.00 C ATOM 260 CD1 TYR A 150 0.864 -2.071 -6.905 1.00 1.00 C ATOM 261 CD2 TYR A 150 -0.572 -0.578 -5.711 1.00 1.00 C ATOM 262 CE1 TYR A 150 0.500 -1.432 -8.143 1.00 1.00 C ATOM 263 CE2 TYR A 150 -0.936 0.062 -6.948 1.00 1.00 C ATOM 264 CZ TYR A 150 -0.382 -0.396 -8.104 1.00 1.00 C ATOM 265 OH TYR A 150 -0.726 0.207 -9.272 1.00 1.00 O ATOM 0 H TYR A 150 -1.654 -2.822 -3.046 1.00 1.00 H new ATOM 0 HA TYR A 150 0.060 -4.334 -4.942 1.00 1.00 H new ATOM 0 HB2 TYR A 150 0.524 -1.620 -3.578 1.00 1.00 H new ATOM 0 HB3 TYR A 150 1.778 -2.516 -4.410 1.00 1.00 H new ATOM 0 HD1 TYR A 150 1.562 -2.895 -6.908 1.00 1.00 H new ATOM 0 HD2 TYR A 150 -0.997 -0.234 -4.780 1.00 1.00 H new ATOM 0 HE1 TYR A 150 0.917 -1.767 -9.081 1.00 1.00 H new ATOM 0 HE2 TYR A 150 -1.633 0.887 -6.959 1.00 1.00 H new ATOM 0 HH TYR A 150 -1.364 0.929 -9.092 1.00 1.00 H new ATOM 275 N ARG A 151 -0.069 -5.392 -2.500 1.00 1.00 N ATOM 276 CA ARG A 151 0.012 -5.873 -1.132 1.00 1.00 C ATOM 277 C ARG A 151 1.297 -6.678 -0.927 1.00 1.00 C ATOM 278 O ARG A 151 1.294 -7.693 -0.231 1.00 1.00 O ATOM 279 CB ARG A 151 -1.193 -6.751 -0.785 1.00 1.00 C ATOM 280 CG ARG A 151 -1.447 -7.790 -1.879 1.00 1.00 C ATOM 281 CD ARG A 151 -1.217 -9.208 -1.352 1.00 1.00 C ATOM 282 NE ARG A 151 0.109 -9.701 -1.789 1.00 1.00 N ATOM 283 CZ ARG A 151 0.854 -10.570 -1.092 1.00 1.00 C ATOM 284 NH1 ARG A 151 0.384 -11.089 0.050 1.00 1.00 N ATOM 285 NH2 ARG A 151 2.069 -10.919 -1.537 1.00 1.00 N ATOM 0 H ARG A 151 -0.604 -5.989 -3.131 1.00 1.00 H new ATOM 0 HA ARG A 151 0.016 -5.004 -0.474 1.00 1.00 H new ATOM 0 HB2 ARG A 151 -1.019 -7.254 0.166 1.00 1.00 H new ATOM 0 HB3 ARG A 151 -2.078 -6.127 -0.658 1.00 1.00 H new ATOM 0 HG2 ARG A 151 -2.469 -7.696 -2.245 1.00 1.00 H new ATOM 0 HG3 ARG A 151 -0.787 -7.601 -2.725 1.00 1.00 H new ATOM 0 HD2 ARG A 151 -1.276 -9.215 -0.264 1.00 1.00 H new ATOM 0 HD3 ARG A 151 -2.000 -9.872 -1.718 1.00 1.00 H new ATOM 0 HE ARG A 151 0.478 -9.358 -2.676 1.00 1.00 H new ATOM 0 HH11 ARG A 151 -0.541 -10.823 0.389 1.00 1.00 H new ATOM 0 HH12 ARG A 151 0.951 -11.750 0.581 1.00 1.00 H new ATOM 0 HH21 ARG A 151 2.427 -10.523 -2.406 1.00 1.00 H new ATOM 0 HH22 ARG A 151 2.636 -11.580 -1.006 1.00 1.00 H new ATOM 299 N GLU A 152 2.364 -6.196 -1.545 1.00 1.00 N ATOM 300 CA GLU A 152 3.623 -6.922 -1.543 1.00 1.00 C ATOM 301 C GLU A 152 4.497 -6.465 -0.374 1.00 1.00 C ATOM 302 O GLU A 152 5.684 -6.190 -0.551 1.00 1.00 O ATOM 303 CB GLU A 152 4.356 -6.752 -2.876 1.00 1.00 C ATOM 304 CG GLU A 152 3.450 -7.125 -4.051 1.00 1.00 C ATOM 305 CD GLU A 152 2.674 -8.410 -3.759 1.00 1.00 C ATOM 306 OE1 GLU A 152 3.344 -9.424 -3.464 1.00 1.00 O ATOM 307 OE2 GLU A 152 1.428 -8.351 -3.837 1.00 1.00 O ATOM 0 H GLU A 152 2.383 -5.311 -2.051 1.00 1.00 H new ATOM 0 HA GLU A 152 3.408 -7.983 -1.417 1.00 1.00 H new ATOM 0 HB2 GLU A 152 4.690 -5.720 -2.983 1.00 1.00 H new ATOM 0 HB3 GLU A 152 5.248 -7.378 -2.887 1.00 1.00 H new ATOM 0 HG2 GLU A 152 2.752 -6.312 -4.249 1.00 1.00 H new ATOM 0 HG3 GLU A 152 4.051 -7.255 -4.951 1.00 1.00 H new ATOM 314 N ASN A 153 3.879 -6.398 0.796 1.00 1.00 N ATOM 315 CA ASN A 153 4.630 -6.290 2.035 1.00 1.00 C ATOM 316 C ASN A 153 3.732 -6.689 3.207 1.00 1.00 C ATOM 317 O ASN A 153 3.997 -6.321 4.350 1.00 1.00 O ATOM 318 CB ASN A 153 5.102 -4.854 2.268 1.00 1.00 C ATOM 319 CG ASN A 153 3.916 -3.886 2.309 1.00 1.00 C ATOM 320 OD1 ASN A 153 3.457 -3.384 1.297 1.00 1.00 O ATOM 321 ND2 ASN A 153 3.448 -3.657 3.532 1.00 1.00 N ATOM 0 H ASN A 153 2.866 -6.416 0.912 1.00 1.00 H new ATOM 0 HA ASN A 153 5.496 -6.948 1.963 1.00 1.00 H new ATOM 0 HB2 ASN A 153 5.655 -4.797 3.205 1.00 1.00 H new ATOM 0 HB3 ASN A 153 5.789 -4.560 1.474 1.00 1.00 H new ATOM 0 HD21 ASN A 153 2.657 -3.027 3.666 1.00 1.00 H new ATOM 0 HD22 ASN A 153 3.880 -4.111 4.337 1.00 1.00 H new ATOM 328 N MET A 154 2.687 -7.438 2.883 1.00 1.00 N ATOM 329 CA MET A 154 1.548 -7.561 3.777 1.00 1.00 C ATOM 330 C MET A 154 0.752 -8.833 3.479 1.00 1.00 C ATOM 331 O MET A 154 1.146 -9.632 2.630 1.00 1.00 O ATOM 332 CB MET A 154 0.639 -6.340 3.616 1.00 1.00 C ATOM 333 CG MET A 154 0.097 -5.879 4.969 1.00 1.00 C ATOM 334 SD MET A 154 -1.032 -4.515 4.741 1.00 1.00 S ATOM 335 CE MET A 154 -1.335 -4.076 6.445 1.00 1.00 C ATOM 0 H MET A 154 2.606 -7.965 2.014 1.00 1.00 H new ATOM 0 HA MET A 154 1.918 -7.618 4.801 1.00 1.00 H new ATOM 0 HB2 MET A 154 1.194 -5.528 3.147 1.00 1.00 H new ATOM 0 HB3 MET A 154 -0.190 -6.584 2.952 1.00 1.00 H new ATOM 0 HG2 MET A 154 -0.412 -6.704 5.466 1.00 1.00 H new ATOM 0 HG3 MET A 154 0.920 -5.576 5.616 1.00 1.00 H new ATOM 0 HE1 MET A 154 -2.026 -3.234 6.486 1.00 1.00 H new ATOM 0 HE2 MET A 154 -1.769 -4.928 6.968 1.00 1.00 H new ATOM 0 HE3 MET A 154 -0.395 -3.798 6.922 1.00 1.00 H new ATOM 345 N TYR A 155 -0.353 -8.982 4.194 1.00 1.00 N ATOM 346 CA TYR A 155 -1.369 -9.947 3.808 1.00 1.00 C ATOM 347 C TYR A 155 -1.881 -9.669 2.395 1.00 1.00 C ATOM 348 O TYR A 155 -1.869 -10.624 1.588 1.00 1.00 O ATOM 349 CB TYR A 155 -2.520 -9.766 4.800 1.00 1.00 C ATOM 350 CG TYR A 155 -2.089 -9.805 6.268 1.00 1.00 C ATOM 351 CD1 TYR A 155 -1.571 -10.967 6.805 1.00 1.00 C ATOM 352 CD2 TYR A 155 -2.218 -8.680 7.055 1.00 1.00 C ATOM 353 CE1 TYR A 155 -1.166 -11.004 8.185 1.00 1.00 C ATOM 354 CE2 TYR A 155 -1.811 -8.716 8.436 1.00 1.00 C ATOM 355 CZ TYR A 155 -1.307 -9.877 8.933 1.00 1.00 C ATOM 356 OH TYR A 155 -0.922 -9.912 10.238 1.00 1.00 O ATOM 357 OXT TYR A 155 -2.275 -8.507 2.152 1.00 1.00 O ATOM 0 H TYR A 155 -0.567 -8.451 5.038 1.00 1.00 H new ATOM 0 HA TYR A 155 -0.962 -10.958 3.819 1.00 1.00 H new ATOM 0 HB2 TYR A 155 -3.011 -8.813 4.601 1.00 1.00 H new ATOM 0 HB3 TYR A 155 -3.260 -10.548 4.628 1.00 1.00 H new ATOM 0 HD1 TYR A 155 -1.470 -11.848 6.189 1.00 1.00 H new ATOM 0 HD2 TYR A 155 -2.624 -7.772 6.636 1.00 1.00 H new ATOM 0 HE1 TYR A 155 -0.759 -11.906 8.617 1.00 1.00 H new ATOM 0 HE2 TYR A 155 -1.904 -7.841 9.062 1.00 1.00 H new ATOM 0 HH TYR A 155 -1.079 -9.036 10.649 1.00 1.00 H new