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 Set 1.1: A 135 SER OG : rot -12:sc= 0.798 USER MOD Set 1.2: A 153 ASN : amide:sc= 1.68 K(o=2.5,f=-5.9!) USER MOD Single : A 140 HIS : no HE2:sc= 0.222 K(o=0.22,f=-4.5!) USER MOD Single : A 143 ASN : amide:sc= -0.468 X(o=-0.47,f=-0.72) 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 154 MET CE :methyl 176:sc= 0 (180deg=-0.0283) USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 135 4.407 -1.947 1.702 1.00 1.00 N ATOM 2 CA SER A 135 3.785 -0.744 1.173 1.00 1.00 C ATOM 3 C SER A 135 4.752 0.022 0.269 1.00 1.00 C ATOM 4 O SER A 135 5.895 0.271 0.647 1.00 1.00 O ATOM 5 CB SER A 135 3.444 0.123 2.386 1.00 1.00 C ATOM 6 OG SER A 135 4.319 -0.125 3.483 1.00 1.00 O ATOM 0 HA SER A 135 2.906 -0.996 0.579 1.00 1.00 H new ATOM 0 HB2 SER A 135 3.502 1.175 2.107 1.00 1.00 H new ATOM 0 HB3 SER A 135 2.416 -0.070 2.692 1.00 1.00 H new ATOM 0 HG SER A 135 4.842 -0.935 3.308 1.00 1.00 H new ATOM 14 N ARG A 136 4.259 0.373 -0.909 1.00 1.00 N ATOM 15 CA ARG A 136 5.102 0.985 -1.922 1.00 1.00 C ATOM 16 C ARG A 136 5.567 2.368 -1.460 1.00 1.00 C ATOM 17 O ARG A 136 4.764 3.175 -0.997 1.00 1.00 O ATOM 18 CB ARG A 136 4.355 1.123 -3.251 1.00 1.00 C ATOM 19 CG ARG A 136 4.063 -0.249 -3.861 1.00 1.00 C ATOM 20 CD ARG A 136 2.564 -0.431 -4.107 1.00 1.00 C ATOM 21 NE ARG A 136 1.959 -1.201 -2.997 1.00 1.00 N ATOM 22 CZ ARG A 136 1.362 -0.643 -1.935 1.00 1.00 C ATOM 23 NH1 ARG A 136 1.356 0.690 -1.793 1.00 1.00 N ATOM 24 NH2 ARG A 136 0.773 -1.417 -1.014 1.00 1.00 N ATOM 0 H ARG A 136 3.285 0.245 -1.185 1.00 1.00 H new ATOM 0 HA ARG A 136 5.966 0.338 -2.070 1.00 1.00 H new ATOM 0 HB2 ARG A 136 3.420 1.661 -3.093 1.00 1.00 H new ATOM 0 HB3 ARG A 136 4.950 1.715 -3.947 1.00 1.00 H new ATOM 0 HG2 ARG A 136 4.605 -0.356 -4.801 1.00 1.00 H new ATOM 0 HG3 ARG A 136 4.424 -1.032 -3.194 1.00 1.00 H new ATOM 0 HD2 ARG A 136 2.080 0.542 -4.192 1.00 1.00 H new ATOM 0 HD3 ARG A 136 2.402 -0.951 -5.051 1.00 1.00 H new ATOM 0 HE ARG A 136 1.999 -2.219 -3.043 1.00 1.00 H new ATOM 0 HH11 ARG A 136 1.806 1.280 -2.493 1.00 1.00 H new ATOM 0 HH12 ARG A 136 0.902 1.115 -0.985 1.00 1.00 H new ATOM 0 HH21 ARG A 136 0.779 -2.431 -1.121 1.00 1.00 H new ATOM 0 HH22 ARG A 136 0.319 -0.992 -0.206 1.00 1.00 H new ATOM 38 N PRO A 137 6.898 2.604 -1.607 1.00 1.00 N ATOM 39 CA PRO A 137 7.416 3.961 -1.662 1.00 1.00 C ATOM 40 C PRO A 137 7.117 4.606 -3.017 1.00 1.00 C ATOM 41 O PRO A 137 7.719 4.245 -4.027 1.00 1.00 O ATOM 42 CB PRO A 137 8.904 3.826 -1.385 1.00 1.00 C ATOM 43 CG PRO A 137 9.246 2.368 -1.643 1.00 1.00 C ATOM 44 CD PRO A 137 7.943 1.591 -1.723 1.00 1.00 C ATOM 0 HA PRO A 137 6.947 4.620 -0.932 1.00 1.00 H new ATOM 0 HB2 PRO A 137 9.483 4.483 -2.033 1.00 1.00 H new ATOM 0 HB3 PRO A 137 9.137 4.106 -0.358 1.00 1.00 H new ATOM 0 HG2 PRO A 137 9.809 2.266 -2.571 1.00 1.00 H new ATOM 0 HG3 PRO A 137 9.876 1.976 -0.844 1.00 1.00 H new ATOM 0 HD2 PRO A 137 7.864 1.047 -2.664 1.00 1.00 H new ATOM 0 HD3 PRO A 137 7.871 0.855 -0.922 1.00 1.00 H new ATOM 52 N LEU A 138 6.187 5.550 -2.995 1.00 1.00 N ATOM 53 CA LEU A 138 5.851 6.299 -4.194 1.00 1.00 C ATOM 54 C LEU A 138 5.696 7.779 -3.839 1.00 1.00 C ATOM 55 O LEU A 138 5.156 8.556 -4.625 1.00 1.00 O ATOM 56 CB LEU A 138 4.621 5.697 -4.875 1.00 1.00 C ATOM 57 CG LEU A 138 4.832 4.350 -5.571 1.00 1.00 C ATOM 58 CD1 LEU A 138 3.493 3.700 -5.925 1.00 1.00 C ATOM 59 CD2 LEU A 138 5.737 4.501 -6.795 1.00 1.00 C ATOM 0 H LEU A 138 5.656 5.813 -2.165 1.00 1.00 H new ATOM 0 HA LEU A 138 6.657 6.229 -4.925 1.00 1.00 H new ATOM 0 HB2 LEU A 138 3.837 5.578 -4.127 1.00 1.00 H new ATOM 0 HB3 LEU A 138 4.252 6.411 -5.612 1.00 1.00 H new ATOM 0 HG LEU A 138 5.340 3.682 -4.875 1.00 1.00 H new ATOM 0 HD11 LEU A 138 3.672 2.745 -6.418 1.00 1.00 H new ATOM 0 HD12 LEU A 138 2.916 3.536 -5.015 1.00 1.00 H new ATOM 0 HD13 LEU A 138 2.936 4.356 -6.594 1.00 1.00 H new ATOM 0 HD21 LEU A 138 5.871 3.529 -7.271 1.00 1.00 H new ATOM 0 HD22 LEU A 138 5.279 5.192 -7.503 1.00 1.00 H new ATOM 0 HD23 LEU A 138 6.707 4.889 -6.485 1.00 1.00 H new ATOM 71 N ILE A 139 6.177 8.125 -2.654 1.00 1.00 N ATOM 72 CA ILE A 139 5.361 8.853 -1.698 1.00 1.00 C ATOM 73 C ILE A 139 3.930 8.312 -1.737 1.00 1.00 C ATOM 74 O ILE A 139 3.309 8.267 -2.798 1.00 1.00 O ATOM 75 CB ILE A 139 5.455 10.360 -1.952 1.00 1.00 C ATOM 76 CG1 ILE A 139 6.907 10.788 -2.174 1.00 1.00 C ATOM 77 CG2 ILE A 139 4.791 11.149 -0.822 1.00 1.00 C ATOM 78 CD1 ILE A 139 7.769 10.457 -0.954 1.00 1.00 C ATOM 0 H ILE A 139 7.122 7.914 -2.334 1.00 1.00 H new ATOM 0 HA ILE A 139 5.733 8.699 -0.685 1.00 1.00 H new ATOM 0 HB ILE A 139 4.908 10.587 -2.867 1.00 1.00 H new ATOM 0 HG12 ILE A 139 7.308 10.285 -3.054 1.00 1.00 H new ATOM 0 HG13 ILE A 139 6.948 11.859 -2.373 1.00 1.00 H new ATOM 0 HG21 ILE A 139 4.872 12.216 -1.027 1.00 1.00 H new ATOM 0 HG22 ILE A 139 3.739 10.871 -0.754 1.00 1.00 H new ATOM 0 HG23 ILE A 139 5.288 10.922 0.121 1.00 1.00 H new ATOM 0 HD11 ILE A 139 8.796 10.772 -1.138 1.00 1.00 H new ATOM 0 HD12 ILE A 139 7.380 10.981 -0.081 1.00 1.00 H new ATOM 0 HD13 ILE A 139 7.746 9.382 -0.773 1.00 1.00 H new ATOM 90 N HIS A 140 3.450 7.915 -0.568 1.00 1.00 N ATOM 91 CA HIS A 140 2.151 7.271 -0.472 1.00 1.00 C ATOM 92 C HIS A 140 1.355 7.889 0.680 1.00 1.00 C ATOM 93 O HIS A 140 0.800 7.172 1.510 1.00 1.00 O ATOM 94 CB HIS A 140 2.304 5.755 -0.340 1.00 1.00 C ATOM 95 CG HIS A 140 2.938 5.311 0.957 1.00 1.00 C ATOM 96 ND1 HIS A 140 3.019 3.983 1.336 1.00 1.00 N ATOM 97 CD2 HIS A 140 3.519 6.034 1.957 1.00 1.00 C ATOM 98 CE1 HIS A 140 3.624 3.921 2.514 1.00 1.00 C ATOM 99 NE2 HIS A 140 3.932 5.193 2.897 1.00 1.00 N ATOM 0 H HIS A 140 3.937 8.027 0.321 1.00 1.00 H new ATOM 0 HA HIS A 140 1.588 7.442 -1.390 1.00 1.00 H new ATOM 0 HB2 HIS A 140 1.321 5.292 -0.429 1.00 1.00 H new ATOM 0 HB3 HIS A 140 2.906 5.387 -1.171 1.00 1.00 H new ATOM 0 HD1 HIS A 140 2.672 3.187 0.800 1.00 1.00 H new ATOM 0 HD2 HIS A 140 3.625 7.109 1.980 1.00 1.00 H new ATOM 0 HE1 HIS A 140 3.836 3.021 3.072 1.00 1.00 H new ATOM 108 N PHE A 141 1.327 9.213 0.692 1.00 1.00 N ATOM 109 CA PHE A 141 0.311 9.933 1.444 1.00 1.00 C ATOM 110 C PHE A 141 -0.972 9.108 1.559 1.00 1.00 C ATOM 111 O PHE A 141 -1.534 8.683 0.551 1.00 1.00 O ATOM 112 CB PHE A 141 0.009 11.218 0.671 1.00 1.00 C ATOM 113 CG PHE A 141 0.822 12.429 1.135 1.00 1.00 C ATOM 114 CD1 PHE A 141 2.159 12.306 1.359 1.00 1.00 C ATOM 115 CD2 PHE A 141 0.209 13.628 1.325 1.00 1.00 C ATOM 116 CE1 PHE A 141 2.913 13.429 1.789 1.00 1.00 C ATOM 117 CE2 PHE A 141 0.963 14.751 1.755 1.00 1.00 C ATOM 118 CZ PHE A 141 2.299 14.628 1.979 1.00 1.00 C ATOM 0 H PHE A 141 1.990 9.807 0.194 1.00 1.00 H new ATOM 0 HA PHE A 141 0.670 10.140 2.452 1.00 1.00 H new ATOM 0 HB2 PHE A 141 0.203 11.047 -0.388 1.00 1.00 H new ATOM 0 HB3 PHE A 141 -1.052 11.447 0.768 1.00 1.00 H new ATOM 0 HD1 PHE A 141 2.646 11.354 1.210 1.00 1.00 H new ATOM 0 HD2 PHE A 141 -0.852 13.726 1.149 1.00 1.00 H new ATOM 0 HE1 PHE A 141 3.974 13.332 1.965 1.00 1.00 H new ATOM 0 HE2 PHE A 141 0.476 15.703 1.904 1.00 1.00 H new ATOM 0 HZ PHE A 141 2.872 15.482 2.308 1.00 1.00 H new ATOM 128 N GLY A 142 -1.399 8.906 2.798 1.00 1.00 N ATOM 129 CA GLY A 142 -0.460 8.690 3.886 1.00 1.00 C ATOM 130 C GLY A 142 -0.859 7.470 4.719 1.00 1.00 C ATOM 131 O GLY A 142 -0.962 7.556 5.942 1.00 1.00 O ATOM 0 H GLY A 142 -2.381 8.887 3.072 1.00 1.00 H new ATOM 0 HA2 GLY A 142 0.543 8.548 3.483 1.00 1.00 H new ATOM 0 HA3 GLY A 142 -0.425 9.574 4.523 1.00 1.00 H new ATOM 135 N ASN A 143 -1.073 6.363 4.024 1.00 1.00 N ATOM 136 CA ASN A 143 -1.974 5.334 4.514 1.00 1.00 C ATOM 137 C ASN A 143 -1.896 4.113 3.594 1.00 1.00 C ATOM 138 O ASN A 143 -2.371 3.034 3.946 1.00 1.00 O ATOM 139 CB ASN A 143 -3.422 5.827 4.523 1.00 1.00 C ATOM 140 CG ASN A 143 -4.054 5.698 3.135 1.00 1.00 C ATOM 141 OD1 ASN A 143 -3.766 6.454 2.221 1.00 1.00 O ATOM 142 ND2 ASN A 143 -4.927 4.702 3.029 1.00 1.00 N ATOM 0 H ASN A 143 -0.638 6.156 3.125 1.00 1.00 H new ATOM 0 HA ASN A 143 -1.674 5.080 5.531 1.00 1.00 H new ATOM 0 HB2 ASN A 143 -4.001 5.252 5.245 1.00 1.00 H new ATOM 0 HB3 ASN A 143 -3.454 6.868 4.846 1.00 1.00 H new ATOM 0 HD21 ASN A 143 -5.402 4.533 2.143 1.00 1.00 H new ATOM 0 HD22 ASN A 143 -5.122 4.107 3.834 1.00 1.00 H new ATOM 149 N ASP A 144 -1.293 4.325 2.434 1.00 1.00 N ATOM 150 CA ASP A 144 -1.003 3.224 1.530 1.00 1.00 C ATOM 151 C ASP A 144 -2.318 2.612 1.041 1.00 1.00 C ATOM 152 O ASP A 144 -2.573 1.428 1.256 1.00 1.00 O ATOM 153 CB ASP A 144 -0.205 2.127 2.235 1.00 1.00 C ATOM 154 CG ASP A 144 0.657 1.260 1.314 1.00 1.00 C ATOM 155 OD1 ASP A 144 1.566 1.836 0.679 1.00 1.00 O ATOM 156 OD2 ASP A 144 0.385 0.041 1.267 1.00 1.00 O ATOM 0 H ASP A 144 -0.997 5.242 2.099 1.00 1.00 H new ATOM 0 HA ASP A 144 -0.418 3.616 0.698 1.00 1.00 H new ATOM 0 HB2 ASP A 144 0.440 2.591 2.981 1.00 1.00 H new ATOM 0 HB3 ASP A 144 -0.900 1.481 2.772 1.00 1.00 H new ATOM 161 N TYR A 145 -3.117 3.446 0.393 1.00 1.00 N ATOM 162 CA TYR A 145 -4.460 3.048 0.005 1.00 1.00 C ATOM 163 C TYR A 145 -4.419 1.981 -1.090 1.00 1.00 C ATOM 164 O TYR A 145 -5.439 1.369 -1.404 1.00 1.00 O ATOM 165 CB TYR A 145 -5.130 4.307 -0.549 1.00 1.00 C ATOM 166 CG TYR A 145 -4.314 5.023 -1.627 1.00 1.00 C ATOM 167 CD1 TYR A 145 -4.405 4.619 -2.943 1.00 1.00 C ATOM 168 CD2 TYR A 145 -3.487 6.072 -1.282 1.00 1.00 C ATOM 169 CE1 TYR A 145 -3.637 5.294 -3.958 1.00 1.00 C ATOM 170 CE2 TYR A 145 -2.718 6.747 -2.297 1.00 1.00 C ATOM 171 CZ TYR A 145 -2.832 6.325 -3.585 1.00 1.00 C ATOM 172 OH TYR A 145 -2.106 6.961 -4.542 1.00 1.00 O ATOM 0 H TYR A 145 -2.860 4.397 0.126 1.00 1.00 H new ATOM 0 HA TYR A 145 -4.998 2.629 0.856 1.00 1.00 H new ATOM 0 HB2 TYR A 145 -6.102 4.037 -0.963 1.00 1.00 H new ATOM 0 HB3 TYR A 145 -5.315 4.999 0.272 1.00 1.00 H new ATOM 0 HD1 TYR A 145 -5.052 3.797 -3.212 1.00 1.00 H new ATOM 0 HD2 TYR A 145 -3.416 6.387 -0.252 1.00 1.00 H new ATOM 0 HE1 TYR A 145 -3.699 4.988 -4.992 1.00 1.00 H new ATOM 0 HE2 TYR A 145 -2.066 7.569 -2.041 1.00 1.00 H new ATOM 0 HH TYR A 145 -1.578 7.677 -4.130 1.00 1.00 H new ATOM 182 N GLU A 146 -3.230 1.791 -1.643 1.00 1.00 N ATOM 183 CA GLU A 146 -3.043 0.804 -2.694 1.00 1.00 C ATOM 184 C GLU A 146 -3.108 -0.609 -2.112 1.00 1.00 C ATOM 185 O GLU A 146 -3.063 -1.592 -2.851 1.00 1.00 O ATOM 186 CB GLU A 146 -1.722 1.032 -3.432 1.00 1.00 C ATOM 187 CG GLU A 146 -1.470 2.524 -3.656 1.00 1.00 C ATOM 188 CD GLU A 146 -0.087 2.762 -4.265 1.00 1.00 C ATOM 189 OE1 GLU A 146 0.889 2.729 -3.485 1.00 1.00 O ATOM 190 OE2 GLU A 146 -0.036 2.972 -5.496 1.00 1.00 O ATOM 0 H GLU A 146 -2.387 2.303 -1.384 1.00 1.00 H new ATOM 0 HA GLU A 146 -3.850 0.916 -3.418 1.00 1.00 H new ATOM 0 HB2 GLU A 146 -0.901 0.603 -2.857 1.00 1.00 H new ATOM 0 HB3 GLU A 146 -1.743 0.515 -4.391 1.00 1.00 H new ATOM 0 HG2 GLU A 146 -2.236 2.931 -4.316 1.00 1.00 H new ATOM 0 HG3 GLU A 146 -1.550 3.056 -2.708 1.00 1.00 H new ATOM 197 N ASP A 147 -3.215 -0.668 -0.792 1.00 1.00 N ATOM 198 CA ASP A 147 -3.191 -1.942 -0.096 1.00 1.00 C ATOM 199 C ASP A 147 -4.261 -2.862 -0.687 1.00 1.00 C ATOM 200 O ASP A 147 -4.076 -4.077 -0.747 1.00 1.00 O ATOM 201 CB ASP A 147 -3.495 -1.761 1.394 1.00 1.00 C ATOM 202 CG ASP A 147 -3.463 -3.048 2.221 1.00 1.00 C ATOM 203 OD1 ASP A 147 -2.339 -3.489 2.541 1.00 1.00 O ATOM 204 OD2 ASP A 147 -4.565 -3.561 2.515 1.00 1.00 O ATOM 0 H ASP A 147 -3.319 0.147 -0.187 1.00 1.00 H new ATOM 0 HA ASP A 147 -2.196 -2.371 -0.213 1.00 1.00 H new ATOM 0 HB2 ASP A 147 -2.775 -1.059 1.814 1.00 1.00 H new ATOM 0 HB3 ASP A 147 -4.480 -1.306 1.496 1.00 1.00 H new ATOM 209 N ARG A 148 -5.356 -2.249 -1.110 1.00 1.00 N ATOM 210 CA ARG A 148 -6.537 -3.003 -1.491 1.00 1.00 C ATOM 211 C ARG A 148 -6.280 -3.772 -2.789 1.00 1.00 C ATOM 212 O ARG A 148 -7.071 -4.632 -3.172 1.00 1.00 O ATOM 213 CB ARG A 148 -7.743 -2.081 -1.683 1.00 1.00 C ATOM 214 CG ARG A 148 -8.037 -1.291 -0.406 1.00 1.00 C ATOM 215 CD ARG A 148 -8.710 -2.178 0.644 1.00 1.00 C ATOM 216 NE ARG A 148 -7.690 -2.967 1.369 1.00 1.00 N ATOM 217 CZ ARG A 148 -7.906 -4.190 1.874 1.00 1.00 C ATOM 218 NH1 ARG A 148 -9.128 -4.735 1.810 1.00 1.00 N ATOM 219 NH2 ARG A 148 -6.899 -4.866 2.445 1.00 1.00 N ATOM 0 H ARG A 148 -5.450 -1.237 -1.197 1.00 1.00 H new ATOM 0 HA ARG A 148 -6.756 -3.704 -0.686 1.00 1.00 H new ATOM 0 HB2 ARG A 148 -7.551 -1.392 -2.505 1.00 1.00 H new ATOM 0 HB3 ARG A 148 -8.617 -2.671 -1.959 1.00 1.00 H new ATOM 0 HG2 ARG A 148 -7.109 -0.885 -0.004 1.00 1.00 H new ATOM 0 HG3 ARG A 148 -8.682 -0.443 -0.639 1.00 1.00 H new ATOM 0 HD2 ARG A 148 -9.272 -1.562 1.346 1.00 1.00 H new ATOM 0 HD3 ARG A 148 -9.425 -2.846 0.163 1.00 1.00 H new ATOM 0 HE ARG A 148 -6.765 -2.555 1.492 1.00 1.00 H new ATOM 0 HH11 ARG A 148 -9.894 -4.220 1.377 1.00 1.00 H new ATOM 0 HH12 ARG A 148 -9.292 -5.665 2.194 1.00 1.00 H new ATOM 0 HH21 ARG A 148 -5.969 -4.450 2.495 1.00 1.00 H new ATOM 0 HH22 ARG A 148 -7.063 -5.796 2.829 1.00 1.00 H new ATOM 233 N TYR A 149 -5.171 -3.434 -3.430 1.00 1.00 N ATOM 234 CA TYR A 149 -4.721 -4.179 -4.592 1.00 1.00 C ATOM 235 C TYR A 149 -3.356 -4.821 -4.339 1.00 1.00 C ATOM 236 O TYR A 149 -2.950 -5.729 -5.061 1.00 1.00 O ATOM 237 CB TYR A 149 -4.589 -3.157 -5.723 1.00 1.00 C ATOM 238 CG TYR A 149 -5.733 -2.145 -5.785 1.00 1.00 C ATOM 239 CD1 TYR A 149 -6.941 -2.502 -6.351 1.00 1.00 C ATOM 240 CD2 TYR A 149 -5.560 -0.874 -5.274 1.00 1.00 C ATOM 241 CE1 TYR A 149 -8.019 -1.548 -6.408 1.00 1.00 C ATOM 242 CE2 TYR A 149 -6.638 0.078 -5.331 1.00 1.00 C ATOM 243 CZ TYR A 149 -7.814 -0.305 -5.896 1.00 1.00 C ATOM 244 OH TYR A 149 -8.832 0.595 -5.951 1.00 1.00 O ATOM 0 H TYR A 149 -4.570 -2.653 -3.166 1.00 1.00 H new ATOM 0 HA TYR A 149 -5.423 -4.978 -4.830 1.00 1.00 H new ATOM 0 HB2 TYR A 149 -3.648 -2.619 -5.605 1.00 1.00 H new ATOM 0 HB3 TYR A 149 -4.535 -3.688 -6.674 1.00 1.00 H new ATOM 0 HD1 TYR A 149 -7.078 -3.496 -6.751 1.00 1.00 H new ATOM 0 HD2 TYR A 149 -4.615 -0.594 -4.831 1.00 1.00 H new ATOM 0 HE1 TYR A 149 -8.969 -1.814 -6.848 1.00 1.00 H new ATOM 0 HE2 TYR A 149 -6.515 1.075 -4.934 1.00 1.00 H new ATOM 0 HH TYR A 149 -8.544 1.440 -5.547 1.00 1.00 H new ATOM 254 N TYR A 150 -2.686 -4.323 -3.310 1.00 1.00 N ATOM 255 CA TYR A 150 -1.319 -4.733 -3.038 1.00 1.00 C ATOM 256 C TYR A 150 -1.075 -4.866 -1.534 1.00 1.00 C ATOM 257 O TYR A 150 -0.489 -3.979 -0.915 1.00 1.00 O ATOM 258 CB TYR A 150 -0.427 -3.619 -3.591 1.00 1.00 C ATOM 259 CG TYR A 150 -0.438 -3.513 -5.117 1.00 1.00 C ATOM 260 CD1 TYR A 150 0.232 -4.450 -5.878 1.00 1.00 C ATOM 261 CD2 TYR A 150 -1.116 -2.481 -5.732 1.00 1.00 C ATOM 262 CE1 TYR A 150 0.223 -4.349 -7.314 1.00 1.00 C ATOM 263 CE2 TYR A 150 -1.125 -2.381 -7.169 1.00 1.00 C ATOM 264 CZ TYR A 150 -0.455 -3.320 -7.889 1.00 1.00 C ATOM 265 OH TYR A 150 -0.464 -3.226 -9.245 1.00 1.00 O ATOM 0 H TYR A 150 -3.065 -3.639 -2.655 1.00 1.00 H new ATOM 0 HA TYR A 150 -1.111 -5.701 -3.494 1.00 1.00 H new ATOM 0 HB2 TYR A 150 -0.748 -2.667 -3.169 1.00 1.00 H new ATOM 0 HB3 TYR A 150 0.597 -3.787 -3.256 1.00 1.00 H new ATOM 0 HD1 TYR A 150 0.762 -5.258 -5.396 1.00 1.00 H new ATOM 0 HD2 TYR A 150 -1.640 -1.748 -5.136 1.00 1.00 H new ATOM 0 HE1 TYR A 150 0.743 -5.075 -7.921 1.00 1.00 H new ATOM 0 HE2 TYR A 150 -1.652 -1.578 -7.663 1.00 1.00 H new ATOM 0 HH TYR A 150 -0.988 -2.443 -9.515 1.00 1.00 H new ATOM 275 N ARG A 151 -1.538 -5.982 -0.987 1.00 1.00 N ATOM 276 CA ARG A 151 -1.467 -6.198 0.447 1.00 1.00 C ATOM 277 C ARG A 151 -0.053 -6.617 0.853 1.00 1.00 C ATOM 278 O ARG A 151 0.129 -7.633 1.522 1.00 1.00 O ATOM 279 CB ARG A 151 -2.459 -7.275 0.891 1.00 1.00 C ATOM 280 CG ARG A 151 -2.419 -8.478 -0.053 1.00 1.00 C ATOM 281 CD ARG A 151 -2.430 -9.792 0.732 1.00 1.00 C ATOM 282 NE ARG A 151 -1.069 -10.098 1.225 1.00 1.00 N ATOM 283 CZ ARG A 151 -0.792 -11.054 2.122 1.00 1.00 C ATOM 284 NH1 ARG A 151 -1.789 -11.677 2.767 1.00 1.00 N ATOM 285 NH2 ARG A 151 0.481 -11.386 2.376 1.00 1.00 N ATOM 0 H ARG A 151 -1.964 -6.746 -1.513 1.00 1.00 H new ATOM 0 HA ARG A 151 -1.724 -5.259 0.937 1.00 1.00 H new ATOM 0 HB2 ARG A 151 -2.223 -7.596 1.906 1.00 1.00 H new ATOM 0 HB3 ARG A 151 -3.466 -6.860 0.914 1.00 1.00 H new ATOM 0 HG2 ARG A 151 -3.276 -8.445 -0.726 1.00 1.00 H new ATOM 0 HG3 ARG A 151 -1.524 -8.428 -0.673 1.00 1.00 H new ATOM 0 HD2 ARG A 151 -3.122 -9.718 1.571 1.00 1.00 H new ATOM 0 HD3 ARG A 151 -2.786 -10.602 0.096 1.00 1.00 H new ATOM 0 HE ARG A 151 -0.293 -9.547 0.859 1.00 1.00 H new ATOM 0 HH11 ARG A 151 -2.758 -11.423 2.575 1.00 1.00 H new ATOM 0 HH12 ARG A 151 -1.578 -12.405 3.450 1.00 1.00 H new ATOM 0 HH21 ARG A 151 1.239 -10.911 1.886 1.00 1.00 H new ATOM 0 HH22 ARG A 151 0.692 -12.114 3.059 1.00 1.00 H new ATOM 299 N GLU A 152 0.912 -5.813 0.430 1.00 1.00 N ATOM 300 CA GLU A 152 2.285 -5.999 0.868 1.00 1.00 C ATOM 301 C GLU A 152 2.492 -5.368 2.247 1.00 1.00 C ATOM 302 O GLU A 152 3.520 -4.743 2.500 1.00 1.00 O ATOM 303 CB GLU A 152 3.268 -5.422 -0.152 1.00 1.00 C ATOM 304 CG GLU A 152 2.840 -4.020 -0.594 1.00 1.00 C ATOM 305 CD GLU A 152 3.929 -3.355 -1.438 1.00 1.00 C ATOM 306 OE1 GLU A 152 4.849 -2.775 -0.822 1.00 1.00 O ATOM 307 OE2 GLU A 152 3.817 -3.441 -2.680 1.00 1.00 O ATOM 0 H GLU A 152 0.770 -5.032 -0.211 1.00 1.00 H new ATOM 0 HA GLU A 152 2.480 -7.069 0.946 1.00 1.00 H new ATOM 0 HB2 GLU A 152 4.267 -5.381 0.283 1.00 1.00 H new ATOM 0 HB3 GLU A 152 3.325 -6.079 -1.020 1.00 1.00 H new ATOM 0 HG2 GLU A 152 1.916 -4.082 -1.169 1.00 1.00 H new ATOM 0 HG3 GLU A 152 2.629 -3.407 0.282 1.00 1.00 H new ATOM 314 N ASN A 153 1.498 -5.555 3.103 1.00 1.00 N ATOM 315 CA ASN A 153 1.569 -5.033 4.458 1.00 1.00 C ATOM 316 C ASN A 153 1.068 -6.097 5.436 1.00 1.00 C ATOM 317 O ASN A 153 0.792 -5.797 6.597 1.00 1.00 O ATOM 318 CB ASN A 153 0.689 -3.792 4.616 1.00 1.00 C ATOM 319 CG ASN A 153 1.126 -2.683 3.658 1.00 1.00 C ATOM 320 OD1 ASN A 153 2.265 -2.245 3.653 1.00 1.00 O ATOM 321 ND2 ASN A 153 0.162 -2.255 2.849 1.00 1.00 N ATOM 0 H ASN A 153 0.639 -6.060 2.885 1.00 1.00 H new ATOM 0 HA ASN A 153 2.606 -4.768 4.664 1.00 1.00 H new ATOM 0 HB2 ASN A 153 -0.352 -4.053 4.424 1.00 1.00 H new ATOM 0 HB3 ASN A 153 0.743 -3.432 5.643 1.00 1.00 H new ATOM 0 HD21 ASN A 153 0.355 -1.517 2.172 1.00 1.00 H new ATOM 0 HD22 ASN A 153 -0.770 -2.665 2.905 1.00 1.00 H new ATOM 328 N MET A 154 0.967 -7.318 4.932 1.00 1.00 N ATOM 329 CA MET A 154 0.256 -8.366 5.646 1.00 1.00 C ATOM 330 C MET A 154 0.971 -9.710 5.501 1.00 1.00 C ATOM 331 O MET A 154 1.725 -9.916 4.552 1.00 1.00 O ATOM 332 CB MET A 154 -1.168 -8.483 5.098 1.00 1.00 C ATOM 333 CG MET A 154 -1.942 -7.180 5.302 1.00 1.00 C ATOM 334 SD MET A 154 -3.630 -7.381 4.754 1.00 1.00 S ATOM 335 CE MET A 154 -4.220 -5.707 4.948 1.00 1.00 C ATOM 0 H MET A 154 1.365 -7.605 4.038 1.00 1.00 H new ATOM 0 HA MET A 154 0.227 -8.103 6.703 1.00 1.00 H new ATOM 0 HB2 MET A 154 -1.134 -8.728 4.036 1.00 1.00 H new ATOM 0 HB3 MET A 154 -1.688 -9.301 5.597 1.00 1.00 H new ATOM 0 HG2 MET A 154 -1.924 -6.897 6.355 1.00 1.00 H new ATOM 0 HG3 MET A 154 -1.464 -6.373 4.747 1.00 1.00 H new ATOM 0 HE1 MET A 154 -5.244 -5.637 4.581 1.00 1.00 H new ATOM 0 HE2 MET A 154 -4.192 -5.431 6.002 1.00 1.00 H new ATOM 0 HE3 MET A 154 -3.584 -5.029 4.379 1.00 1.00 H new ATOM 345 N TYR A 155 0.710 -10.590 6.457 1.00 1.00 N ATOM 346 CA TYR A 155 1.080 -11.988 6.309 1.00 1.00 C ATOM 347 C TYR A 155 0.301 -12.644 5.168 1.00 1.00 C ATOM 348 O TYR A 155 0.968 -13.247 4.299 1.00 1.00 O ATOM 349 CB TYR A 155 0.698 -12.666 7.626 1.00 1.00 C ATOM 350 CG TYR A 155 1.360 -12.047 8.860 1.00 1.00 C ATOM 351 CD1 TYR A 155 2.733 -12.084 8.998 1.00 1.00 C ATOM 352 CD2 TYR A 155 0.584 -11.453 9.834 1.00 1.00 C ATOM 353 CE1 TYR A 155 3.355 -11.501 10.159 1.00 1.00 C ATOM 354 CE2 TYR A 155 1.207 -10.871 10.995 1.00 1.00 C ATOM 355 CZ TYR A 155 2.562 -10.923 11.099 1.00 1.00 C ATOM 356 OH TYR A 155 3.150 -10.374 12.196 1.00 1.00 O ATOM 357 OXT TYR A 155 -0.943 -12.527 5.189 1.00 1.00 O ATOM 0 H TYR A 155 0.247 -10.362 7.337 1.00 1.00 H new ATOM 0 HA TYR A 155 2.142 -12.082 6.082 1.00 1.00 H new ATOM 0 HB2 TYR A 155 -0.384 -12.620 7.746 1.00 1.00 H new ATOM 0 HB3 TYR A 155 0.968 -13.721 7.572 1.00 1.00 H new ATOM 0 HD1 TYR A 155 3.340 -12.550 8.236 1.00 1.00 H new ATOM 0 HD2 TYR A 155 -0.490 -11.424 9.726 1.00 1.00 H new ATOM 0 HE1 TYR A 155 4.428 -11.523 10.280 1.00 1.00 H new ATOM 0 HE2 TYR A 155 0.612 -10.404 11.765 1.00 1.00 H new ATOM 0 HH TYR A 155 2.461 -9.996 12.782 1.00 1.00 H new TER 367 TYR A 155