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 -94:sc= 0.224 USER MOD Set 1.2: A 140 HIS : no HE2:sc= -0.375 K(o=-0.15,f=-5!) USER MOD Single : A 143 ASN : amide:sc= 0.946 K(o=0.95,f=0) USER MOD Single : A 145 TYR OH : rot -166:sc= 1.3 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 :FLIP amide:sc= -0.266 F(o=-1.2,f=-0.27) 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 1.976 -0.775 2.270 1.00 1.00 N ATOM 2 CA SER A 135 2.382 -1.145 0.925 1.00 1.00 C ATOM 3 C SER A 135 3.595 -0.330 0.474 1.00 1.00 C ATOM 4 O SER A 135 4.025 0.588 1.170 1.00 1.00 O ATOM 5 CB SER A 135 1.193 -0.813 0.019 1.00 1.00 C ATOM 6 OG SER A 135 0.714 0.513 0.233 1.00 1.00 O ATOM 0 HA SER A 135 2.658 -2.199 0.884 1.00 1.00 H new ATOM 0 HB2 SER A 135 1.488 -0.928 -1.024 1.00 1.00 H new ATOM 0 HB3 SER A 135 0.387 -1.524 0.203 1.00 1.00 H new ATOM 0 HG SER A 135 -0.024 0.494 0.877 1.00 1.00 H new ATOM 14 N ARG A 136 4.115 -0.696 -0.690 1.00 1.00 N ATOM 15 CA ARG A 136 5.097 0.134 -1.364 1.00 1.00 C ATOM 16 C ARG A 136 4.633 1.593 -1.390 1.00 1.00 C ATOM 17 O ARG A 136 3.441 1.866 -1.519 1.00 1.00 O ATOM 18 CB ARG A 136 5.332 -0.344 -2.798 1.00 1.00 C ATOM 19 CG ARG A 136 4.036 -0.301 -3.610 1.00 1.00 C ATOM 20 CD ARG A 136 4.190 -1.058 -4.930 1.00 1.00 C ATOM 21 NE ARG A 136 4.306 -2.510 -4.671 1.00 1.00 N ATOM 22 CZ ARG A 136 4.094 -3.457 -5.595 1.00 1.00 C ATOM 23 NH1 ARG A 136 3.608 -3.123 -6.798 1.00 1.00 N ATOM 24 NH2 ARG A 136 4.367 -4.739 -5.314 1.00 1.00 N ATOM 0 H ARG A 136 3.874 -1.556 -1.182 1.00 1.00 H new ATOM 0 HA ARG A 136 6.032 0.056 -0.809 1.00 1.00 H new ATOM 0 HB2 ARG A 136 6.085 0.283 -3.275 1.00 1.00 H new ATOM 0 HB3 ARG A 136 5.724 -1.361 -2.786 1.00 1.00 H new ATOM 0 HG2 ARG A 136 3.224 -0.738 -3.029 1.00 1.00 H new ATOM 0 HG3 ARG A 136 3.763 0.735 -3.811 1.00 1.00 H new ATOM 0 HD2 ARG A 136 3.332 -0.863 -5.573 1.00 1.00 H new ATOM 0 HD3 ARG A 136 5.073 -0.703 -5.461 1.00 1.00 H new ATOM 0 HE ARG A 136 4.563 -2.809 -3.730 1.00 1.00 H new ATOM 0 HH11 ARG A 136 3.399 -2.148 -7.011 1.00 1.00 H new ATOM 0 HH12 ARG A 136 3.447 -3.844 -7.501 1.00 1.00 H new ATOM 0 HH21 ARG A 136 4.736 -4.993 -4.397 1.00 1.00 H new ATOM 0 HH22 ARG A 136 4.206 -5.461 -6.017 1.00 1.00 H new ATOM 38 N PRO A 137 5.625 2.514 -1.262 1.00 1.00 N ATOM 39 CA PRO A 137 5.357 3.932 -1.437 1.00 1.00 C ATOM 40 C PRO A 137 5.178 4.278 -2.916 1.00 1.00 C ATOM 41 O PRO A 137 5.719 3.598 -3.786 1.00 1.00 O ATOM 42 CB PRO A 137 6.542 4.637 -0.800 1.00 1.00 C ATOM 43 CG PRO A 137 7.647 3.597 -0.709 1.00 1.00 C ATOM 44 CD PRO A 137 7.024 2.233 -0.950 1.00 1.00 C ATOM 0 HA PRO A 137 4.425 4.246 -0.967 1.00 1.00 H new ATOM 0 HB2 PRO A 137 6.857 5.490 -1.400 1.00 1.00 H new ATOM 0 HB3 PRO A 137 6.284 5.020 0.187 1.00 1.00 H new ATOM 0 HG2 PRO A 137 8.422 3.798 -1.448 1.00 1.00 H new ATOM 0 HG3 PRO A 137 8.124 3.631 0.271 1.00 1.00 H new ATOM 0 HD2 PRO A 137 7.516 1.713 -1.772 1.00 1.00 H new ATOM 0 HD3 PRO A 137 7.113 1.596 -0.070 1.00 1.00 H new ATOM 52 N LEU A 138 4.416 5.336 -3.155 1.00 1.00 N ATOM 53 CA LEU A 138 4.329 5.908 -4.488 1.00 1.00 C ATOM 54 C LEU A 138 4.612 7.410 -4.411 1.00 1.00 C ATOM 55 O LEU A 138 4.229 8.163 -5.305 1.00 1.00 O ATOM 56 CB LEU A 138 2.983 5.568 -5.131 1.00 1.00 C ATOM 57 CG LEU A 138 3.039 5.045 -6.567 1.00 1.00 C ATOM 58 CD1 LEU A 138 1.649 4.635 -7.056 1.00 1.00 C ATOM 59 CD2 LEU A 138 3.697 6.066 -7.498 1.00 1.00 C ATOM 0 H LEU A 138 3.854 5.811 -2.449 1.00 1.00 H new ATOM 0 HA LEU A 138 5.086 5.472 -5.140 1.00 1.00 H new ATOM 0 HB2 LEU A 138 2.486 4.821 -4.512 1.00 1.00 H new ATOM 0 HB3 LEU A 138 2.359 6.462 -5.115 1.00 1.00 H new ATOM 0 HG LEU A 138 3.661 4.150 -6.580 1.00 1.00 H new ATOM 0 HD11 LEU A 138 1.717 4.267 -8.080 1.00 1.00 H new ATOM 0 HD12 LEU A 138 1.255 3.848 -6.413 1.00 1.00 H new ATOM 0 HD13 LEU A 138 0.983 5.497 -7.024 1.00 1.00 H new ATOM 0 HD21 LEU A 138 3.724 5.669 -8.513 1.00 1.00 H new ATOM 0 HD22 LEU A 138 3.123 6.992 -7.486 1.00 1.00 H new ATOM 0 HD23 LEU A 138 4.714 6.265 -7.159 1.00 1.00 H new ATOM 71 N ILE A 139 5.280 7.800 -3.336 1.00 1.00 N ATOM 72 CA ILE A 139 4.645 8.615 -2.314 1.00 1.00 C ATOM 73 C ILE A 139 3.125 8.487 -2.438 1.00 1.00 C ATOM 74 O ILE A 139 2.550 8.842 -3.466 1.00 1.00 O ATOM 75 CB ILE A 139 5.148 10.058 -2.390 1.00 1.00 C ATOM 76 CG1 ILE A 139 6.664 10.099 -2.588 1.00 1.00 C ATOM 77 CG2 ILE A 139 4.708 10.857 -1.163 1.00 1.00 C ATOM 78 CD1 ILE A 139 7.393 9.549 -1.360 1.00 1.00 C ATOM 0 H ILE A 139 6.255 7.567 -3.150 1.00 1.00 H new ATOM 0 HA ILE A 139 4.916 8.259 -1.320 1.00 1.00 H new ATOM 0 HB ILE A 139 4.696 10.533 -3.261 1.00 1.00 H new ATOM 0 HG12 ILE A 139 6.935 9.516 -3.468 1.00 1.00 H new ATOM 0 HG13 ILE A 139 6.982 11.125 -2.775 1.00 1.00 H new ATOM 0 HG21 ILE A 139 5.079 11.879 -1.242 1.00 1.00 H new ATOM 0 HG22 ILE A 139 3.619 10.869 -1.108 1.00 1.00 H new ATOM 0 HG23 ILE A 139 5.112 10.393 -0.263 1.00 1.00 H new ATOM 0 HD11 ILE A 139 8.469 9.590 -1.527 1.00 1.00 H new ATOM 0 HD12 ILE A 139 7.139 10.150 -0.487 1.00 1.00 H new ATOM 0 HD13 ILE A 139 7.091 8.516 -1.190 1.00 1.00 H new ATOM 90 N HIS A 140 2.518 7.978 -1.376 1.00 1.00 N ATOM 91 CA HIS A 140 1.079 7.779 -1.362 1.00 1.00 C ATOM 92 C HIS A 140 0.496 8.349 -0.066 1.00 1.00 C ATOM 93 O HIS A 140 -0.250 7.668 0.635 1.00 1.00 O ATOM 94 CB HIS A 140 0.731 6.304 -1.569 1.00 1.00 C ATOM 95 CG HIS A 140 1.319 5.382 -0.527 1.00 1.00 C ATOM 96 ND1 HIS A 140 1.420 4.014 -0.709 1.00 1.00 N ATOM 97 CD2 HIS A 140 1.836 5.646 0.707 1.00 1.00 C ATOM 98 CE1 HIS A 140 1.974 3.488 0.374 1.00 1.00 C ATOM 99 NE2 HIS A 140 2.230 4.501 1.251 1.00 1.00 N ATOM 0 H HIS A 140 2.996 7.698 -0.520 1.00 1.00 H new ATOM 0 HA HIS A 140 0.626 8.319 -2.194 1.00 1.00 H new ATOM 0 HB2 HIS A 140 -0.353 6.193 -1.567 1.00 1.00 H new ATOM 0 HB3 HIS A 140 1.081 5.993 -2.553 1.00 1.00 H new ATOM 0 HD1 HIS A 140 1.119 3.498 -1.536 1.00 1.00 H new ATOM 0 HD2 HIS A 140 1.912 6.621 1.164 1.00 1.00 H new ATOM 0 HE1 HIS A 140 2.186 2.441 0.534 1.00 1.00 H new ATOM 108 N PHE A 141 0.857 9.593 0.211 1.00 1.00 N ATOM 109 CA PHE A 141 0.069 10.419 1.108 1.00 1.00 C ATOM 110 C PHE A 141 -1.399 9.987 1.104 1.00 1.00 C ATOM 111 O PHE A 141 -2.022 9.902 0.047 1.00 1.00 O ATOM 112 CB PHE A 141 0.166 11.857 0.595 1.00 1.00 C ATOM 113 CG PHE A 141 1.428 12.596 1.045 1.00 1.00 C ATOM 114 CD1 PHE A 141 1.578 12.952 2.349 1.00 1.00 C ATOM 115 CD2 PHE A 141 2.400 12.895 0.142 1.00 1.00 C ATOM 116 CE1 PHE A 141 2.750 13.636 2.768 1.00 1.00 C ATOM 117 CE2 PHE A 141 3.571 13.581 0.561 1.00 1.00 C ATOM 118 CZ PHE A 141 3.721 13.937 1.864 1.00 1.00 C ATOM 0 H PHE A 141 1.686 10.049 -0.171 1.00 1.00 H new ATOM 0 HA PHE A 141 0.445 10.324 2.127 1.00 1.00 H new ATOM 0 HB2 PHE A 141 0.133 11.846 -0.494 1.00 1.00 H new ATOM 0 HB3 PHE A 141 -0.708 12.412 0.935 1.00 1.00 H new ATOM 0 HD1 PHE A 141 0.806 12.715 3.066 1.00 1.00 H new ATOM 0 HD2 PHE A 141 2.282 12.611 -0.893 1.00 1.00 H new ATOM 0 HE1 PHE A 141 2.870 13.917 3.804 1.00 1.00 H new ATOM 0 HE2 PHE A 141 4.342 13.820 -0.156 1.00 1.00 H new ATOM 0 HZ PHE A 141 4.611 14.459 2.182 1.00 1.00 H new ATOM 128 N GLY A 142 -1.909 9.725 2.299 1.00 1.00 N ATOM 129 CA GLY A 142 -1.079 9.200 3.369 1.00 1.00 C ATOM 130 C GLY A 142 -1.832 8.146 4.181 1.00 1.00 C ATOM 131 O GLY A 142 -1.961 8.269 5.398 1.00 1.00 O ATOM 0 H GLY A 142 -2.888 9.867 2.549 1.00 1.00 H new ATOM 0 HA2 GLY A 142 -0.173 8.762 2.950 1.00 1.00 H new ATOM 0 HA3 GLY A 142 -0.766 10.013 4.024 1.00 1.00 H new ATOM 135 N ASN A 143 -2.311 7.131 3.475 1.00 1.00 N ATOM 136 CA ASN A 143 -3.317 6.242 4.031 1.00 1.00 C ATOM 137 C ASN A 143 -3.118 4.835 3.461 1.00 1.00 C ATOM 138 O ASN A 143 -3.805 3.897 3.861 1.00 1.00 O ATOM 139 CB ASN A 143 -4.727 6.705 3.662 1.00 1.00 C ATOM 140 CG ASN A 143 -5.685 6.538 4.844 1.00 1.00 C ATOM 141 OD1 ASN A 143 -6.295 7.481 5.320 1.00 1.00 O ATOM 142 ND2 ASN A 143 -5.783 5.288 5.287 1.00 1.00 N ATOM 0 H ASN A 143 -2.021 6.905 2.524 1.00 1.00 H new ATOM 0 HA ASN A 143 -3.208 6.247 5.116 1.00 1.00 H new ATOM 0 HB2 ASN A 143 -4.702 7.750 3.354 1.00 1.00 H new ATOM 0 HB3 ASN A 143 -5.091 6.131 2.810 1.00 1.00 H new ATOM 0 HD21 ASN A 143 -6.398 5.072 6.072 1.00 1.00 H new ATOM 0 HD22 ASN A 143 -5.243 4.545 4.842 1.00 1.00 H new ATOM 149 N ASP A 144 -2.173 4.734 2.536 1.00 1.00 N ATOM 150 CA ASP A 144 -1.690 3.436 2.100 1.00 1.00 C ATOM 151 C ASP A 144 -2.862 2.618 1.554 1.00 1.00 C ATOM 152 O ASP A 144 -3.097 1.493 1.995 1.00 1.00 O ATOM 153 CB ASP A 144 -1.071 2.658 3.263 1.00 1.00 C ATOM 154 CG ASP A 144 -0.002 1.640 2.863 1.00 1.00 C ATOM 155 OD1 ASP A 144 -0.398 0.499 2.539 1.00 1.00 O ATOM 156 OD2 ASP A 144 1.187 2.025 2.891 1.00 1.00 O ATOM 0 H ASP A 144 -1.730 5.530 2.078 1.00 1.00 H new ATOM 0 HA ASP A 144 -0.933 3.599 1.333 1.00 1.00 H new ATOM 0 HB2 ASP A 144 -0.631 3.369 3.963 1.00 1.00 H new ATOM 0 HB3 ASP A 144 -1.866 2.137 3.796 1.00 1.00 H new ATOM 161 N TYR A 145 -3.566 3.213 0.602 1.00 1.00 N ATOM 162 CA TYR A 145 -4.760 2.591 0.054 1.00 1.00 C ATOM 163 C TYR A 145 -4.396 1.435 -0.880 1.00 1.00 C ATOM 164 O TYR A 145 -5.267 0.674 -1.298 1.00 1.00 O ATOM 165 CB TYR A 145 -5.470 3.680 -0.753 1.00 1.00 C ATOM 166 CG TYR A 145 -4.584 4.882 -1.091 1.00 1.00 C ATOM 167 CD1 TYR A 145 -3.762 4.842 -2.199 1.00 1.00 C ATOM 168 CD2 TYR A 145 -4.606 6.004 -0.289 1.00 1.00 C ATOM 169 CE1 TYR A 145 -2.929 5.973 -2.518 1.00 1.00 C ATOM 170 CE2 TYR A 145 -3.773 7.134 -0.607 1.00 1.00 C ATOM 171 CZ TYR A 145 -2.975 7.063 -1.706 1.00 1.00 C ATOM 172 OH TYR A 145 -2.188 8.130 -2.007 1.00 1.00 O ATOM 0 H TYR A 145 -3.333 4.119 0.196 1.00 1.00 H new ATOM 0 HA TYR A 145 -5.384 2.188 0.852 1.00 1.00 H new ATOM 0 HB2 TYR A 145 -5.844 3.245 -1.680 1.00 1.00 H new ATOM 0 HB3 TYR A 145 -6.337 4.027 -0.191 1.00 1.00 H new ATOM 0 HD1 TYR A 145 -3.743 3.963 -2.826 1.00 1.00 H new ATOM 0 HD2 TYR A 145 -5.249 6.035 0.578 1.00 1.00 H new ATOM 0 HE1 TYR A 145 -2.282 5.956 -3.383 1.00 1.00 H new ATOM 0 HE2 TYR A 145 -3.782 8.018 0.013 1.00 1.00 H new ATOM 0 HH TYR A 145 -2.151 8.737 -1.238 1.00 1.00 H new ATOM 182 N GLU A 146 -3.109 1.342 -1.181 1.00 1.00 N ATOM 183 CA GLU A 146 -2.617 0.280 -2.041 1.00 1.00 C ATOM 184 C GLU A 146 -2.477 -1.023 -1.250 1.00 1.00 C ATOM 185 O GLU A 146 -1.984 -2.021 -1.773 1.00 1.00 O ATOM 186 CB GLU A 146 -1.289 0.672 -2.692 1.00 1.00 C ATOM 187 CG GLU A 146 -1.404 2.023 -3.401 1.00 1.00 C ATOM 188 CD GLU A 146 -0.026 2.545 -3.813 1.00 1.00 C ATOM 189 OE1 GLU A 146 0.520 1.994 -4.792 1.00 1.00 O ATOM 190 OE2 GLU A 146 0.450 3.484 -3.138 1.00 1.00 O ATOM 0 H GLU A 146 -2.392 1.985 -0.844 1.00 1.00 H new ATOM 0 HA GLU A 146 -3.342 0.121 -2.839 1.00 1.00 H new ATOM 0 HB2 GLU A 146 -0.508 0.721 -1.933 1.00 1.00 H new ATOM 0 HB3 GLU A 146 -0.990 -0.094 -3.408 1.00 1.00 H new ATOM 0 HG2 GLU A 146 -2.037 1.922 -4.283 1.00 1.00 H new ATOM 0 HG3 GLU A 146 -1.888 2.744 -2.742 1.00 1.00 H new ATOM 197 N ASP A 147 -2.918 -0.970 -0.002 1.00 1.00 N ATOM 198 CA ASP A 147 -2.954 -2.160 0.829 1.00 1.00 C ATOM 199 C ASP A 147 -3.648 -3.290 0.066 1.00 1.00 C ATOM 200 O ASP A 147 -3.272 -4.454 0.195 1.00 1.00 O ATOM 201 CB ASP A 147 -3.740 -1.909 2.118 1.00 1.00 C ATOM 202 CG ASP A 147 -3.907 -3.131 3.023 1.00 1.00 C ATOM 203 OD1 ASP A 147 -2.865 -3.645 3.481 1.00 1.00 O ATOM 204 OD2 ASP A 147 -5.075 -3.525 3.233 1.00 1.00 O ATOM 0 H ASP A 147 -3.253 -0.121 0.453 1.00 1.00 H new ATOM 0 HA ASP A 147 -1.927 -2.427 1.078 1.00 1.00 H new ATOM 0 HB2 ASP A 147 -3.240 -1.123 2.683 1.00 1.00 H new ATOM 0 HB3 ASP A 147 -4.729 -1.533 1.855 1.00 1.00 H new ATOM 209 N ARG A 148 -4.649 -2.907 -0.714 1.00 1.00 N ATOM 210 CA ARG A 148 -5.561 -3.879 -1.292 1.00 1.00 C ATOM 211 C ARG A 148 -4.840 -4.721 -2.348 1.00 1.00 C ATOM 212 O ARG A 148 -5.342 -5.764 -2.763 1.00 1.00 O ATOM 213 CB ARG A 148 -6.765 -3.189 -1.935 1.00 1.00 C ATOM 214 CG ARG A 148 -7.483 -2.289 -0.927 1.00 1.00 C ATOM 215 CD ARG A 148 -8.059 -3.111 0.229 1.00 1.00 C ATOM 216 NE ARG A 148 -7.333 -2.798 1.481 1.00 1.00 N ATOM 217 CZ ARG A 148 -7.613 -1.753 2.272 1.00 1.00 C ATOM 218 NH1 ARG A 148 -8.550 -0.867 1.904 1.00 1.00 N ATOM 219 NH2 ARG A 148 -6.958 -1.593 3.429 1.00 1.00 N ATOM 0 H ARG A 148 -4.848 -1.937 -0.959 1.00 1.00 H new ATOM 0 HA ARG A 148 -5.913 -4.524 -0.487 1.00 1.00 H new ATOM 0 HB2 ARG A 148 -6.436 -2.596 -2.788 1.00 1.00 H new ATOM 0 HB3 ARG A 148 -7.458 -3.939 -2.317 1.00 1.00 H new ATOM 0 HG2 ARG A 148 -6.787 -1.545 -0.538 1.00 1.00 H new ATOM 0 HG3 ARG A 148 -8.285 -1.745 -1.426 1.00 1.00 H new ATOM 0 HD2 ARG A 148 -9.120 -2.892 0.349 1.00 1.00 H new ATOM 0 HD3 ARG A 148 -7.976 -4.175 0.007 1.00 1.00 H new ATOM 0 HE ARG A 148 -6.571 -3.417 1.759 1.00 1.00 H new ATOM 0 HH11 ARG A 148 -9.049 -0.989 1.023 1.00 1.00 H new ATOM 0 HH12 ARG A 148 -8.764 -0.071 2.505 1.00 1.00 H new ATOM 0 HH21 ARG A 148 -6.245 -2.267 3.709 1.00 1.00 H new ATOM 0 HH22 ARG A 148 -7.172 -0.797 4.030 1.00 1.00 H new ATOM 233 N TYR A 149 -3.676 -4.235 -2.751 1.00 1.00 N ATOM 234 CA TYR A 149 -2.919 -4.886 -3.806 1.00 1.00 C ATOM 235 C TYR A 149 -1.521 -5.276 -3.319 1.00 1.00 C ATOM 236 O TYR A 149 -1.085 -6.409 -3.516 1.00 1.00 O ATOM 237 CB TYR A 149 -2.785 -3.855 -4.928 1.00 1.00 C ATOM 238 CG TYR A 149 -4.085 -3.116 -5.253 1.00 1.00 C ATOM 239 CD1 TYR A 149 -5.151 -3.803 -5.797 1.00 1.00 C ATOM 240 CD2 TYR A 149 -4.192 -1.764 -5.002 1.00 1.00 C ATOM 241 CE1 TYR A 149 -6.375 -3.110 -6.102 1.00 1.00 C ATOM 242 CE2 TYR A 149 -5.416 -1.069 -5.308 1.00 1.00 C ATOM 243 CZ TYR A 149 -6.447 -1.776 -5.843 1.00 1.00 C ATOM 244 OH TYR A 149 -7.603 -1.120 -6.132 1.00 1.00 O ATOM 0 H TYR A 149 -3.238 -3.398 -2.366 1.00 1.00 H new ATOM 0 HA TYR A 149 -3.422 -5.796 -4.132 1.00 1.00 H new ATOM 0 HB2 TYR A 149 -2.025 -3.126 -4.648 1.00 1.00 H new ATOM 0 HB3 TYR A 149 -2.430 -4.357 -5.828 1.00 1.00 H new ATOM 0 HD1 TYR A 149 -5.067 -4.862 -5.994 1.00 1.00 H new ATOM 0 HD2 TYR A 149 -3.358 -1.226 -4.576 1.00 1.00 H new ATOM 0 HE1 TYR A 149 -7.217 -3.637 -6.527 1.00 1.00 H new ATOM 0 HE2 TYR A 149 -5.513 -0.010 -5.117 1.00 1.00 H new ATOM 0 HH TYR A 149 -7.511 -0.174 -5.894 1.00 1.00 H new ATOM 254 N TYR A 150 -0.859 -4.315 -2.692 1.00 1.00 N ATOM 255 CA TYR A 150 0.584 -4.380 -2.535 1.00 1.00 C ATOM 256 C TYR A 150 0.977 -4.337 -1.057 1.00 1.00 C ATOM 257 O TYR A 150 1.836 -3.550 -0.662 1.00 1.00 O ATOM 258 CB TYR A 150 1.140 -3.138 -3.234 1.00 1.00 C ATOM 259 CG TYR A 150 0.766 -3.038 -4.714 1.00 1.00 C ATOM 260 CD1 TYR A 150 0.578 -4.185 -5.459 1.00 1.00 C ATOM 261 CD2 TYR A 150 0.616 -1.800 -5.306 1.00 1.00 C ATOM 262 CE1 TYR A 150 0.225 -4.090 -6.851 1.00 1.00 C ATOM 263 CE2 TYR A 150 0.263 -1.705 -6.699 1.00 1.00 C ATOM 264 CZ TYR A 150 0.085 -2.855 -7.403 1.00 1.00 C ATOM 265 OH TYR A 150 -0.247 -2.766 -8.718 1.00 1.00 O ATOM 0 H TYR A 150 -1.295 -3.487 -2.287 1.00 1.00 H new ATOM 0 HA TYR A 150 0.975 -5.307 -2.955 1.00 1.00 H new ATOM 0 HB2 TYR A 150 0.777 -2.250 -2.717 1.00 1.00 H new ATOM 0 HB3 TYR A 150 2.226 -3.138 -3.143 1.00 1.00 H new ATOM 0 HD1 TYR A 150 0.696 -5.154 -4.997 1.00 1.00 H new ATOM 0 HD2 TYR A 150 0.763 -0.902 -4.724 1.00 1.00 H new ATOM 0 HE1 TYR A 150 0.075 -4.980 -7.444 1.00 1.00 H new ATOM 0 HE2 TYR A 150 0.142 -0.742 -7.174 1.00 1.00 H new ATOM 0 HH TYR A 150 -0.314 -1.823 -8.975 1.00 1.00 H new ATOM 275 N ARG A 151 0.330 -5.194 -0.280 1.00 1.00 N ATOM 276 CA ARG A 151 0.635 -5.296 1.137 1.00 1.00 C ATOM 277 C ARG A 151 1.842 -6.210 1.356 1.00 1.00 C ATOM 278 O ARG A 151 1.771 -7.163 2.131 1.00 1.00 O ATOM 279 CB ARG A 151 -0.561 -5.844 1.919 1.00 1.00 C ATOM 280 CG ARG A 151 -1.155 -7.070 1.223 1.00 1.00 C ATOM 281 CD ARG A 151 -2.172 -7.774 2.124 1.00 1.00 C ATOM 282 NE ARG A 151 -3.042 -6.774 2.782 1.00 1.00 N ATOM 283 CZ ARG A 151 -3.586 -6.935 3.997 1.00 1.00 C ATOM 284 NH1 ARG A 151 -3.453 -8.101 4.641 1.00 1.00 N ATOM 285 NH2 ARG A 151 -4.265 -5.929 4.565 1.00 1.00 N ATOM 0 H ARG A 151 -0.404 -5.824 -0.605 1.00 1.00 H new ATOM 0 HA ARG A 151 0.864 -4.294 1.500 1.00 1.00 H new ATOM 0 HB2 ARG A 151 -0.249 -6.110 2.929 1.00 1.00 H new ATOM 0 HB3 ARG A 151 -1.323 -5.071 2.014 1.00 1.00 H new ATOM 0 HG2 ARG A 151 -1.636 -6.767 0.293 1.00 1.00 H new ATOM 0 HG3 ARG A 151 -0.357 -7.764 0.958 1.00 1.00 H new ATOM 0 HD2 ARG A 151 -2.777 -8.463 1.535 1.00 1.00 H new ATOM 0 HD3 ARG A 151 -1.654 -8.369 2.876 1.00 1.00 H new ATOM 0 HE ARG A 151 -3.240 -5.908 2.280 1.00 1.00 H new ATOM 0 HH11 ARG A 151 -2.938 -8.867 4.208 1.00 1.00 H new ATOM 0 HH12 ARG A 151 -3.867 -8.223 5.565 1.00 1.00 H new ATOM 0 HH21 ARG A 151 -4.368 -5.041 4.073 1.00 1.00 H new ATOM 0 HH22 ARG A 151 -4.679 -6.051 5.489 1.00 1.00 H new ATOM 299 N GLU A 152 2.921 -5.889 0.658 1.00 1.00 N ATOM 300 CA GLU A 152 4.157 -6.640 0.804 1.00 1.00 C ATOM 301 C GLU A 152 4.852 -6.270 2.116 1.00 1.00 C ATOM 302 O GLU A 152 6.076 -6.172 2.168 1.00 1.00 O ATOM 303 CB GLU A 152 5.083 -6.407 -0.391 1.00 1.00 C ATOM 304 CG GLU A 152 5.468 -4.931 -0.508 1.00 1.00 C ATOM 305 CD GLU A 152 5.104 -4.376 -1.886 1.00 1.00 C ATOM 306 OE1 GLU A 152 5.467 -5.042 -2.880 1.00 1.00 O ATOM 307 OE2 GLU A 152 4.471 -3.298 -1.915 1.00 1.00 O ATOM 0 H GLU A 152 2.966 -5.119 -0.010 1.00 1.00 H new ATOM 0 HA GLU A 152 3.913 -7.702 0.832 1.00 1.00 H new ATOM 0 HB2 GLU A 152 5.982 -7.013 -0.282 1.00 1.00 H new ATOM 0 HB3 GLU A 152 4.589 -6.731 -1.307 1.00 1.00 H new ATOM 0 HG2 GLU A 152 4.958 -4.356 0.265 1.00 1.00 H new ATOM 0 HG3 GLU A 152 6.538 -4.816 -0.337 1.00 1.00 H new ATOM 314 N ASN A 153 4.038 -6.076 3.144 1.00 1.00 N ATOM 315 CA ASN A 153 4.563 -5.778 4.466 1.00 1.00 C ATOM 316 C ASN A 153 3.575 -6.272 5.525 1.00 1.00 C ATOM 317 O ASN A 153 3.725 -5.971 6.708 1.00 1.00 O ATOM 318 CB ASN A 153 4.748 -4.272 4.659 1.00 1.00 C ATOM 319 CG ASN A 153 3.422 -3.529 4.484 1.00 1.00 C ATOM 320 OD1 ASN A 153 2.660 -3.517 5.575 1.00 1.00 O flip ATOM 321 ND2 ASN A 153 3.110 -3.003 3.429 1.00 1.00 N flip ATOM 0 H ASN A 153 3.020 -6.119 3.088 1.00 1.00 H new ATOM 0 HA ASN A 153 5.528 -6.275 4.566 1.00 1.00 H new ATOM 0 HB2 ASN A 153 5.150 -4.076 5.653 1.00 1.00 H new ATOM 0 HB3 ASN A 153 5.477 -3.897 3.941 1.00 1.00 H new ATOM 0 HD21 ASN A 153 3.742 -3.049 2.630 1.00 1.00 H new ATOM 0 HD22 ASN A 153 2.217 -2.517 3.346 1.00 1.00 H new ATOM 328 N MET A 154 2.586 -7.023 5.061 1.00 1.00 N ATOM 329 CA MET A 154 1.542 -7.515 5.944 1.00 1.00 C ATOM 330 C MET A 154 0.816 -8.709 5.323 1.00 1.00 C ATOM 331 O MET A 154 0.470 -8.685 4.142 1.00 1.00 O ATOM 332 CB MET A 154 0.539 -6.394 6.221 1.00 1.00 C ATOM 333 CG MET A 154 -0.588 -6.881 7.135 1.00 1.00 C ATOM 334 SD MET A 154 -1.623 -5.507 7.612 1.00 1.00 S ATOM 335 CE MET A 154 -2.855 -6.367 8.576 1.00 1.00 C ATOM 0 H MET A 154 2.486 -7.302 4.085 1.00 1.00 H new ATOM 0 HA MET A 154 2.003 -7.840 6.876 1.00 1.00 H new ATOM 0 HB2 MET A 154 1.050 -5.550 6.685 1.00 1.00 H new ATOM 0 HB3 MET A 154 0.120 -6.035 5.281 1.00 1.00 H new ATOM 0 HG2 MET A 154 -1.184 -7.635 6.621 1.00 1.00 H new ATOM 0 HG3 MET A 154 -0.169 -7.356 8.022 1.00 1.00 H new ATOM 0 HE1 MET A 154 -3.586 -5.652 8.953 1.00 1.00 H new ATOM 0 HE2 MET A 154 -3.358 -7.104 7.950 1.00 1.00 H new ATOM 0 HE3 MET A 154 -2.374 -6.871 9.414 1.00 1.00 H new ATOM 345 N TYR A 155 0.606 -9.727 6.145 1.00 1.00 N ATOM 346 CA TYR A 155 -0.260 -10.831 5.764 1.00 1.00 C ATOM 347 C TYR A 155 -1.700 -10.355 5.567 1.00 1.00 C ATOM 348 O TYR A 155 -2.192 -10.490 4.426 1.00 1.00 O ATOM 349 CB TYR A 155 -0.217 -11.821 6.929 1.00 1.00 C ATOM 350 CG TYR A 155 -0.993 -13.115 6.674 1.00 1.00 C ATOM 351 CD1 TYR A 155 -2.331 -13.194 7.004 1.00 1.00 C ATOM 352 CD2 TYR A 155 -0.356 -14.204 6.115 1.00 1.00 C ATOM 353 CE1 TYR A 155 -3.062 -14.411 6.765 1.00 1.00 C ATOM 354 CE2 TYR A 155 -1.086 -15.421 5.876 1.00 1.00 C ATOM 355 CZ TYR A 155 -2.403 -15.464 6.212 1.00 1.00 C ATOM 356 OH TYR A 155 -3.093 -16.615 5.986 1.00 1.00 O ATOM 357 OXT TYR A 155 -2.278 -9.866 6.562 1.00 1.00 O ATOM 0 H TYR A 155 1.020 -9.811 7.073 1.00 1.00 H new ATOM 0 HA TYR A 155 0.073 -11.275 4.826 1.00 1.00 H new ATOM 0 HB2 TYR A 155 0.822 -12.069 7.144 1.00 1.00 H new ATOM 0 HB3 TYR A 155 -0.620 -11.337 7.819 1.00 1.00 H new ATOM 0 HD1 TYR A 155 -2.830 -12.342 7.442 1.00 1.00 H new ATOM 0 HD2 TYR A 155 0.691 -14.143 5.857 1.00 1.00 H new ATOM 0 HE1 TYR A 155 -4.109 -14.486 7.019 1.00 1.00 H new ATOM 0 HE2 TYR A 155 -0.599 -16.281 5.440 1.00 1.00 H new ATOM 0 HH TYR A 155 -2.496 -17.281 5.586 1.00 1.00 H new