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 -129:sc= 0.83 USER MOD Single : A 140 HIS : no HE2:sc= -0.953 K(o=-0.95,f=-4.3!) USER MOD Single : A 143 ASN : amide:sc= 0.925 K(o=0.92,f=0) USER MOD Single : A 145 TYR OH : rot 179:sc= 1.24 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= -0.528 K(o=-0.53,f=-1.2) USER MOD Single : A 154 MET CE :methyl 160:sc= -0.0728 (180deg=-0.619) USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 135 2.228 -0.961 0.658 1.00 1.00 N ATOM 2 CA SER A 135 2.363 -0.827 -0.783 1.00 1.00 C ATOM 3 C SER A 135 3.644 -0.074 -1.146 1.00 1.00 C ATOM 4 O SER A 135 4.348 0.420 -0.267 1.00 1.00 O ATOM 5 CB SER A 135 1.155 -0.010 -1.245 1.00 1.00 C ATOM 6 OG SER A 135 1.201 0.264 -2.643 1.00 1.00 O ATOM 0 HA SER A 135 2.410 -1.807 -1.257 1.00 1.00 H new ATOM 0 HB2 SER A 135 0.239 -0.553 -1.012 1.00 1.00 H new ATOM 0 HB3 SER A 135 1.119 0.929 -0.692 1.00 1.00 H new ATOM 0 HG SER A 135 1.064 1.223 -2.793 1.00 1.00 H new ATOM 14 N ARG A 136 3.906 -0.010 -2.443 1.00 1.00 N ATOM 15 CA ARG A 136 5.082 0.690 -2.935 1.00 1.00 C ATOM 16 C ARG A 136 5.060 2.150 -2.476 1.00 1.00 C ATOM 17 O ARG A 136 3.994 2.714 -2.236 1.00 1.00 O ATOM 18 CB ARG A 136 5.151 0.644 -4.462 1.00 1.00 C ATOM 19 CG ARG A 136 4.973 -0.786 -4.976 1.00 1.00 C ATOM 20 CD ARG A 136 6.180 -1.654 -4.613 1.00 1.00 C ATOM 21 NE ARG A 136 5.741 -3.037 -4.322 1.00 1.00 N ATOM 22 CZ ARG A 136 5.628 -3.999 -5.247 1.00 1.00 C ATOM 23 NH1 ARG A 136 5.762 -3.699 -6.547 1.00 1.00 N ATOM 24 NH2 ARG A 136 5.383 -5.262 -4.873 1.00 1.00 N ATOM 0 H ARG A 136 3.325 -0.431 -3.168 1.00 1.00 H new ATOM 0 HA ARG A 136 5.961 0.190 -2.528 1.00 1.00 H new ATOM 0 HB2 ARG A 136 4.377 1.285 -4.884 1.00 1.00 H new ATOM 0 HB3 ARG A 136 6.110 1.038 -4.798 1.00 1.00 H new ATOM 0 HG2 ARG A 136 4.068 -1.219 -4.550 1.00 1.00 H new ATOM 0 HG3 ARG A 136 4.842 -0.774 -6.058 1.00 1.00 H new ATOM 0 HD2 ARG A 136 6.896 -1.657 -5.434 1.00 1.00 H new ATOM 0 HD3 ARG A 136 6.691 -1.236 -3.746 1.00 1.00 H new ATOM 0 HE ARG A 136 5.510 -3.272 -3.357 1.00 1.00 H new ATOM 0 HH11 ARG A 136 5.950 -2.738 -6.832 1.00 1.00 H new ATOM 0 HH12 ARG A 136 5.676 -4.432 -7.251 1.00 1.00 H new ATOM 0 HH21 ARG A 136 5.283 -5.491 -3.884 1.00 1.00 H new ATOM 0 HH22 ARG A 136 5.297 -5.995 -5.577 1.00 1.00 H new ATOM 38 N PRO A 137 6.284 2.735 -2.364 1.00 1.00 N ATOM 39 CA PRO A 137 6.411 4.156 -2.088 1.00 1.00 C ATOM 40 C PRO A 137 6.089 4.986 -3.332 1.00 1.00 C ATOM 41 O PRO A 137 6.730 4.830 -4.370 1.00 1.00 O ATOM 42 CB PRO A 137 7.842 4.336 -1.607 1.00 1.00 C ATOM 43 CG PRO A 137 8.596 3.100 -2.071 1.00 1.00 C ATOM 44 CD PRO A 137 7.572 2.062 -2.496 1.00 1.00 C ATOM 0 HA PRO A 137 5.705 4.504 -1.334 1.00 1.00 H new ATOM 0 HB2 PRO A 137 8.283 5.242 -2.023 1.00 1.00 H new ATOM 0 HB3 PRO A 137 7.880 4.432 -0.522 1.00 1.00 H new ATOM 0 HG2 PRO A 137 9.258 3.346 -2.902 1.00 1.00 H new ATOM 0 HG3 PRO A 137 9.223 2.712 -1.268 1.00 1.00 H new ATOM 0 HD2 PRO A 137 7.744 1.733 -3.521 1.00 1.00 H new ATOM 0 HD3 PRO A 137 7.622 1.175 -1.864 1.00 1.00 H new ATOM 52 N LEU A 138 5.096 5.851 -3.186 1.00 1.00 N ATOM 53 CA LEU A 138 4.510 6.519 -4.336 1.00 1.00 C ATOM 54 C LEU A 138 4.201 7.973 -3.974 1.00 1.00 C ATOM 55 O LEU A 138 3.219 8.539 -4.451 1.00 1.00 O ATOM 56 CB LEU A 138 3.294 5.740 -4.846 1.00 1.00 C ATOM 57 CG LEU A 138 3.590 4.388 -5.496 1.00 1.00 C ATOM 58 CD1 LEU A 138 2.305 3.578 -5.685 1.00 1.00 C ATOM 59 CD2 LEU A 138 4.353 4.565 -6.810 1.00 1.00 C ATOM 0 H LEU A 138 4.682 6.105 -2.289 1.00 1.00 H new ATOM 0 HA LEU A 138 5.217 6.540 -5.165 1.00 1.00 H new ATOM 0 HB2 LEU A 138 2.614 5.578 -4.010 1.00 1.00 H new ATOM 0 HB3 LEU A 138 2.767 6.361 -5.570 1.00 1.00 H new ATOM 0 HG LEU A 138 4.234 3.821 -4.824 1.00 1.00 H new ATOM 0 HD11 LEU A 138 2.543 2.621 -6.149 1.00 1.00 H new ATOM 0 HD12 LEU A 138 1.838 3.405 -4.715 1.00 1.00 H new ATOM 0 HD13 LEU A 138 1.617 4.131 -6.325 1.00 1.00 H new ATOM 0 HD21 LEU A 138 4.550 3.588 -7.251 1.00 1.00 H new ATOM 0 HD22 LEU A 138 3.755 5.160 -7.500 1.00 1.00 H new ATOM 0 HD23 LEU A 138 5.298 5.073 -6.617 1.00 1.00 H new ATOM 71 N ILE A 139 5.058 8.535 -3.134 1.00 1.00 N ATOM 72 CA ILE A 139 4.626 9.008 -1.829 1.00 1.00 C ATOM 73 C ILE A 139 3.097 9.056 -1.791 1.00 1.00 C ATOM 74 O ILE A 139 2.486 9.952 -2.371 1.00 1.00 O ATOM 75 CB ILE A 139 5.293 10.344 -1.497 1.00 1.00 C ATOM 76 CG1 ILE A 139 6.777 10.324 -1.869 1.00 1.00 C ATOM 77 CG2 ILE A 139 5.075 10.715 -0.029 1.00 1.00 C ATOM 78 CD1 ILE A 139 7.521 9.232 -1.098 1.00 1.00 C ATOM 0 H ILE A 139 6.049 8.674 -3.331 1.00 1.00 H new ATOM 0 HA ILE A 139 4.943 8.318 -1.047 1.00 1.00 H new ATOM 0 HB ILE A 139 4.821 11.120 -2.099 1.00 1.00 H new ATOM 0 HG12 ILE A 139 6.885 10.155 -2.940 1.00 1.00 H new ATOM 0 HG13 ILE A 139 7.223 11.295 -1.653 1.00 1.00 H new ATOM 0 HG21 ILE A 139 5.559 11.669 0.181 1.00 1.00 H new ATOM 0 HG22 ILE A 139 4.007 10.799 0.170 1.00 1.00 H new ATOM 0 HG23 ILE A 139 5.504 9.942 0.609 1.00 1.00 H new ATOM 0 HD11 ILE A 139 8.574 9.240 -1.381 1.00 1.00 H new ATOM 0 HD12 ILE A 139 7.432 9.417 -0.028 1.00 1.00 H new ATOM 0 HD13 ILE A 139 7.088 8.260 -1.335 1.00 1.00 H new ATOM 90 N HIS A 140 2.523 8.083 -1.099 1.00 1.00 N ATOM 91 CA HIS A 140 1.080 7.922 -1.088 1.00 1.00 C ATOM 92 C HIS A 140 0.522 8.389 0.258 1.00 1.00 C ATOM 93 O HIS A 140 -0.121 7.617 0.968 1.00 1.00 O ATOM 94 CB HIS A 140 0.690 6.481 -1.424 1.00 1.00 C ATOM 95 CG HIS A 140 1.385 5.443 -0.576 1.00 1.00 C ATOM 96 ND1 HIS A 140 1.548 4.130 -0.980 1.00 1.00 N ATOM 97 CD2 HIS A 140 1.958 5.539 0.659 1.00 1.00 C ATOM 98 CE1 HIS A 140 2.191 3.474 -0.025 1.00 1.00 C ATOM 99 NE2 HIS A 140 2.443 4.349 0.990 1.00 1.00 N ATOM 0 H HIS A 140 3.032 7.398 -0.541 1.00 1.00 H new ATOM 0 HA HIS A 140 0.635 8.546 -1.863 1.00 1.00 H new ATOM 0 HB2 HIS A 140 -0.388 6.370 -1.305 1.00 1.00 H new ATOM 0 HB3 HIS A 140 0.916 6.289 -2.473 1.00 1.00 H new ATOM 0 HD1 HIS A 140 1.227 3.734 -1.864 1.00 1.00 H new ATOM 0 HD2 HIS A 140 2.008 6.432 1.264 1.00 1.00 H new ATOM 0 HE1 HIS A 140 2.467 2.430 -0.047 1.00 1.00 H new ATOM 108 N PHE A 141 0.788 9.650 0.568 1.00 1.00 N ATOM 109 CA PHE A 141 0.185 10.277 1.731 1.00 1.00 C ATOM 110 C PHE A 141 -1.253 9.793 1.932 1.00 1.00 C ATOM 111 O PHE A 141 -2.075 9.886 1.022 1.00 1.00 O ATOM 112 CB PHE A 141 0.171 11.785 1.470 1.00 1.00 C ATOM 113 CG PHE A 141 1.389 12.523 2.029 1.00 1.00 C ATOM 114 CD1 PHE A 141 2.602 11.909 2.061 1.00 1.00 C ATOM 115 CD2 PHE A 141 1.259 13.795 2.493 1.00 1.00 C ATOM 116 CE1 PHE A 141 3.732 12.594 2.581 1.00 1.00 C ATOM 117 CE2 PHE A 141 2.389 14.482 3.011 1.00 1.00 C ATOM 118 CZ PHE A 141 3.602 13.867 3.045 1.00 1.00 C ATOM 0 H PHE A 141 1.413 10.254 0.034 1.00 1.00 H new ATOM 0 HA PHE A 141 0.753 10.024 2.626 1.00 1.00 H new ATOM 0 HB2 PHE A 141 0.116 11.957 0.395 1.00 1.00 H new ATOM 0 HB3 PHE A 141 -0.732 12.211 1.908 1.00 1.00 H new ATOM 0 HD1 PHE A 141 2.706 10.900 1.691 1.00 1.00 H new ATOM 0 HD2 PHE A 141 0.296 14.283 2.468 1.00 1.00 H new ATOM 0 HE1 PHE A 141 4.695 12.105 2.608 1.00 1.00 H new ATOM 0 HE2 PHE A 141 2.285 15.492 3.378 1.00 1.00 H new ATOM 0 HZ PHE A 141 4.461 14.389 3.440 1.00 1.00 H new ATOM 128 N GLY A 142 -1.511 9.289 3.129 1.00 1.00 N ATOM 129 CA GLY A 142 -0.485 8.595 3.887 1.00 1.00 C ATOM 130 C GLY A 142 -1.070 7.395 4.634 1.00 1.00 C ATOM 131 O GLY A 142 -0.946 7.298 5.855 1.00 1.00 O ATOM 0 H GLY A 142 -2.417 9.348 3.593 1.00 1.00 H new ATOM 0 HA2 GLY A 142 0.304 8.259 3.214 1.00 1.00 H new ATOM 0 HA3 GLY A 142 -0.027 9.282 4.598 1.00 1.00 H new ATOM 135 N ASN A 143 -1.696 6.512 3.871 1.00 1.00 N ATOM 136 CA ASN A 143 -2.609 5.539 4.447 1.00 1.00 C ATOM 137 C ASN A 143 -2.479 4.214 3.693 1.00 1.00 C ATOM 138 O ASN A 143 -3.028 3.198 4.116 1.00 1.00 O ATOM 139 CB ASN A 143 -4.060 6.009 4.330 1.00 1.00 C ATOM 140 CG ASN A 143 -4.857 5.650 5.586 1.00 1.00 C ATOM 141 OD1 ASN A 143 -5.388 6.500 6.281 1.00 1.00 O ATOM 142 ND2 ASN A 143 -4.910 4.344 5.836 1.00 1.00 N ATOM 0 H ASN A 143 -1.589 6.450 2.859 1.00 1.00 H new ATOM 0 HA ASN A 143 -2.352 5.418 5.499 1.00 1.00 H new ATOM 0 HB2 ASN A 143 -4.085 7.088 4.175 1.00 1.00 H new ATOM 0 HB3 ASN A 143 -4.525 5.551 3.457 1.00 1.00 H new ATOM 0 HD21 ASN A 143 -5.418 4.001 6.651 1.00 1.00 H new ATOM 0 HD22 ASN A 143 -4.443 3.686 5.212 1.00 1.00 H new ATOM 149 N ASP A 144 -1.749 4.269 2.589 1.00 1.00 N ATOM 150 CA ASP A 144 -1.426 3.062 1.845 1.00 1.00 C ATOM 151 C ASP A 144 -2.721 2.378 1.405 1.00 1.00 C ATOM 152 O ASP A 144 -2.945 1.208 1.714 1.00 1.00 O ATOM 153 CB ASP A 144 -0.640 2.075 2.711 1.00 1.00 C ATOM 154 CG ASP A 144 0.315 1.160 1.943 1.00 1.00 C ATOM 155 OD1 ASP A 144 -0.173 0.128 1.436 1.00 1.00 O ATOM 156 OD2 ASP A 144 1.513 1.513 1.880 1.00 1.00 O ATOM 0 H ASP A 144 -1.372 5.129 2.191 1.00 1.00 H new ATOM 0 HA ASP A 144 -0.821 3.348 0.985 1.00 1.00 H new ATOM 0 HB2 ASP A 144 -0.066 2.638 3.448 1.00 1.00 H new ATOM 0 HB3 ASP A 144 -1.347 1.456 3.263 1.00 1.00 H new ATOM 161 N TYR A 145 -3.542 3.136 0.692 1.00 1.00 N ATOM 162 CA TYR A 145 -4.875 2.675 0.345 1.00 1.00 C ATOM 163 C TYR A 145 -4.824 1.667 -0.805 1.00 1.00 C ATOM 164 O TYR A 145 -5.853 1.127 -1.207 1.00 1.00 O ATOM 165 CB TYR A 145 -5.644 3.915 -0.114 1.00 1.00 C ATOM 166 CG TYR A 145 -4.755 5.124 -0.408 1.00 1.00 C ATOM 167 CD1 TYR A 145 -4.013 5.169 -1.572 1.00 1.00 C ATOM 168 CD2 TYR A 145 -4.694 6.172 0.489 1.00 1.00 C ATOM 169 CE1 TYR A 145 -3.177 6.308 -1.850 1.00 1.00 C ATOM 170 CE2 TYR A 145 -3.856 7.311 0.212 1.00 1.00 C ATOM 171 CZ TYR A 145 -3.139 7.322 -0.945 1.00 1.00 C ATOM 172 OH TYR A 145 -2.349 8.398 -1.207 1.00 1.00 O ATOM 0 H TYR A 145 -3.309 4.067 0.345 1.00 1.00 H new ATOM 0 HA TYR A 145 -5.345 2.183 1.197 1.00 1.00 H new ATOM 0 HB2 TYR A 145 -6.211 3.667 -1.011 1.00 1.00 H new ATOM 0 HB3 TYR A 145 -6.367 4.187 0.655 1.00 1.00 H new ATOM 0 HD1 TYR A 145 -4.060 4.350 -2.274 1.00 1.00 H new ATOM 0 HD2 TYR A 145 -5.275 6.138 1.399 1.00 1.00 H new ATOM 0 HE1 TYR A 145 -2.593 6.356 -2.757 1.00 1.00 H new ATOM 0 HE2 TYR A 145 -3.798 8.136 0.906 1.00 1.00 H new ATOM 0 HH TYR A 145 -2.434 9.051 -0.481 1.00 1.00 H new ATOM 182 N GLU A 146 -3.617 1.443 -1.302 1.00 1.00 N ATOM 183 CA GLU A 146 -3.384 0.368 -2.251 1.00 1.00 C ATOM 184 C GLU A 146 -3.258 -0.969 -1.517 1.00 1.00 C ATOM 185 O GLU A 146 -2.758 -1.943 -2.077 1.00 1.00 O ATOM 186 CB GLU A 146 -2.143 0.645 -3.101 1.00 1.00 C ATOM 187 CG GLU A 146 -2.016 2.138 -3.414 1.00 1.00 C ATOM 188 CD GLU A 146 -0.976 2.801 -2.509 1.00 1.00 C ATOM 189 OE1 GLU A 146 0.223 2.687 -2.844 1.00 1.00 O ATOM 190 OE2 GLU A 146 -1.403 3.405 -1.501 1.00 1.00 O ATOM 0 H GLU A 146 -2.788 1.989 -1.065 1.00 1.00 H new ATOM 0 HA GLU A 146 -4.239 0.313 -2.924 1.00 1.00 H new ATOM 0 HB2 GLU A 146 -1.253 0.303 -2.573 1.00 1.00 H new ATOM 0 HB3 GLU A 146 -2.200 0.078 -4.030 1.00 1.00 H new ATOM 0 HG2 GLU A 146 -1.733 2.272 -4.458 1.00 1.00 H new ATOM 0 HG3 GLU A 146 -2.982 2.625 -3.281 1.00 1.00 H new ATOM 197 N ASP A 147 -3.719 -0.971 -0.275 1.00 1.00 N ATOM 198 CA ASP A 147 -3.702 -2.184 0.527 1.00 1.00 C ATOM 199 C ASP A 147 -4.288 -3.338 -0.288 1.00 1.00 C ATOM 200 O ASP A 147 -3.809 -4.467 -0.205 1.00 1.00 O ATOM 201 CB ASP A 147 -4.547 -2.020 1.791 1.00 1.00 C ATOM 202 CG ASP A 147 -4.886 -3.323 2.517 1.00 1.00 C ATOM 203 OD1 ASP A 147 -5.916 -3.926 2.147 1.00 1.00 O ATOM 204 OD2 ASP A 147 -4.107 -3.688 3.423 1.00 1.00 O ATOM 0 H ASP A 147 -4.106 -0.153 0.196 1.00 1.00 H new ATOM 0 HA ASP A 147 -2.669 -2.388 0.808 1.00 1.00 H new ATOM 0 HB2 ASP A 147 -4.017 -1.365 2.482 1.00 1.00 H new ATOM 0 HB3 ASP A 147 -5.477 -1.517 1.525 1.00 1.00 H new ATOM 209 N ARG A 148 -5.319 -3.014 -1.057 1.00 1.00 N ATOM 210 CA ARG A 148 -6.134 -4.039 -1.685 1.00 1.00 C ATOM 211 C ARG A 148 -5.332 -4.766 -2.766 1.00 1.00 C ATOM 212 O ARG A 148 -5.752 -5.814 -3.256 1.00 1.00 O ATOM 213 CB ARG A 148 -7.391 -3.433 -2.314 1.00 1.00 C ATOM 214 CG ARG A 148 -8.171 -2.606 -1.290 1.00 1.00 C ATOM 215 CD ARG A 148 -8.433 -3.413 -0.017 1.00 1.00 C ATOM 216 NE ARG A 148 -8.960 -4.751 -0.366 1.00 1.00 N ATOM 217 CZ ARG A 148 -8.542 -5.894 0.197 1.00 1.00 C ATOM 218 NH1 ARG A 148 -7.587 -5.867 1.137 1.00 1.00 N ATOM 219 NH2 ARG A 148 -9.079 -7.062 -0.180 1.00 1.00 N ATOM 0 H ARG A 148 -5.607 -2.057 -1.258 1.00 1.00 H new ATOM 0 HA ARG A 148 -6.432 -4.746 -0.911 1.00 1.00 H new ATOM 0 HB2 ARG A 148 -7.112 -2.803 -3.159 1.00 1.00 H new ATOM 0 HB3 ARG A 148 -8.026 -4.228 -2.705 1.00 1.00 H new ATOM 0 HG2 ARG A 148 -7.611 -1.704 -1.044 1.00 1.00 H new ATOM 0 HG3 ARG A 148 -9.119 -2.285 -1.723 1.00 1.00 H new ATOM 0 HD2 ARG A 148 -7.511 -3.514 0.556 1.00 1.00 H new ATOM 0 HD3 ARG A 148 -9.146 -2.886 0.617 1.00 1.00 H new ATOM 0 HE ARG A 148 -9.687 -4.807 -1.080 1.00 1.00 H new ATOM 0 HH11 ARG A 148 -7.179 -4.977 1.424 1.00 1.00 H new ATOM 0 HH12 ARG A 148 -7.269 -6.736 1.566 1.00 1.00 H new ATOM 0 HH21 ARG A 148 -9.806 -7.082 -0.895 1.00 1.00 H new ATOM 0 HH22 ARG A 148 -8.761 -7.931 0.248 1.00 1.00 H new ATOM 233 N TYR A 149 -4.193 -4.183 -3.106 1.00 1.00 N ATOM 234 CA TYR A 149 -3.365 -4.721 -4.173 1.00 1.00 C ATOM 235 C TYR A 149 -1.978 -5.100 -3.652 1.00 1.00 C ATOM 236 O TYR A 149 -1.451 -6.159 -3.993 1.00 1.00 O ATOM 237 CB TYR A 149 -3.221 -3.597 -5.201 1.00 1.00 C ATOM 238 CG TYR A 149 -4.550 -3.111 -5.782 1.00 1.00 C ATOM 239 CD1 TYR A 149 -5.280 -3.932 -6.618 1.00 1.00 C ATOM 240 CD2 TYR A 149 -5.020 -1.851 -5.470 1.00 1.00 C ATOM 241 CE1 TYR A 149 -6.531 -3.474 -7.165 1.00 1.00 C ATOM 242 CE2 TYR A 149 -6.271 -1.393 -6.017 1.00 1.00 C ATOM 243 CZ TYR A 149 -6.964 -2.227 -6.837 1.00 1.00 C ATOM 244 OH TYR A 149 -8.146 -1.795 -7.353 1.00 1.00 O ATOM 0 H TYR A 149 -3.823 -3.343 -2.662 1.00 1.00 H new ATOM 0 HA TYR A 149 -3.817 -5.619 -4.595 1.00 1.00 H new ATOM 0 HB2 TYR A 149 -2.711 -2.755 -4.734 1.00 1.00 H new ATOM 0 HB3 TYR A 149 -2.585 -3.943 -6.016 1.00 1.00 H new ATOM 0 HD1 TYR A 149 -4.913 -4.918 -6.862 1.00 1.00 H new ATOM 0 HD2 TYR A 149 -4.449 -1.209 -4.816 1.00 1.00 H new ATOM 0 HE1 TYR A 149 -7.112 -4.106 -7.820 1.00 1.00 H new ATOM 0 HE2 TYR A 149 -6.650 -0.410 -5.781 1.00 1.00 H new ATOM 0 HH TYR A 149 -8.330 -0.887 -7.033 1.00 1.00 H new ATOM 254 N TYR A 150 -1.425 -4.217 -2.835 1.00 1.00 N ATOM 255 CA TYR A 150 -0.040 -4.349 -2.415 1.00 1.00 C ATOM 256 C TYR A 150 0.098 -4.141 -0.905 1.00 1.00 C ATOM 257 O TYR A 150 0.804 -3.238 -0.461 1.00 1.00 O ATOM 258 CB TYR A 150 0.729 -3.243 -3.142 1.00 1.00 C ATOM 259 CG TYR A 150 0.867 -3.470 -4.648 1.00 1.00 C ATOM 260 CD1 TYR A 150 1.814 -4.351 -5.130 1.00 1.00 C ATOM 261 CD2 TYR A 150 0.046 -2.792 -5.526 1.00 1.00 C ATOM 262 CE1 TYR A 150 1.944 -4.564 -6.548 1.00 1.00 C ATOM 263 CE2 TYR A 150 0.177 -3.005 -6.945 1.00 1.00 C ATOM 264 CZ TYR A 150 1.120 -3.880 -7.386 1.00 1.00 C ATOM 265 OH TYR A 150 1.244 -4.080 -8.725 1.00 1.00 O ATOM 0 H TYR A 150 -1.911 -3.406 -2.452 1.00 1.00 H new ATOM 0 HA TYR A 150 0.338 -5.344 -2.648 1.00 1.00 H new ATOM 0 HB2 TYR A 150 0.224 -2.292 -2.973 1.00 1.00 H new ATOM 0 HB3 TYR A 150 1.724 -3.158 -2.705 1.00 1.00 H new ATOM 0 HD1 TYR A 150 2.458 -4.881 -4.443 1.00 1.00 H new ATOM 0 HD2 TYR A 150 -0.695 -2.102 -5.150 1.00 1.00 H new ATOM 0 HE1 TYR A 150 2.680 -5.252 -6.938 1.00 1.00 H new ATOM 0 HE2 TYR A 150 -0.460 -2.481 -7.643 1.00 1.00 H new ATOM 0 HH TYR A 150 0.590 -3.526 -9.200 1.00 1.00 H new ATOM 275 N ARG A 151 -0.589 -4.995 -0.158 1.00 1.00 N ATOM 276 CA ARG A 151 -0.399 -5.047 1.281 1.00 1.00 C ATOM 277 C ARG A 151 0.824 -5.901 1.625 1.00 1.00 C ATOM 278 O ARG A 151 0.736 -6.819 2.439 1.00 1.00 O ATOM 279 CB ARG A 151 -1.631 -5.631 1.978 1.00 1.00 C ATOM 280 CG ARG A 151 -2.091 -6.918 1.290 1.00 1.00 C ATOM 281 CD ARG A 151 -3.132 -7.650 2.138 1.00 1.00 C ATOM 282 NE ARG A 151 -4.126 -6.688 2.663 1.00 1.00 N ATOM 283 CZ ARG A 151 -4.785 -6.844 3.820 1.00 1.00 C ATOM 284 NH1 ARG A 151 -4.585 -7.942 4.562 1.00 1.00 N ATOM 285 NH2 ARG A 151 -5.642 -5.902 4.234 1.00 1.00 N ATOM 0 H ARG A 151 -1.276 -5.655 -0.523 1.00 1.00 H new ATOM 0 HA ARG A 151 -0.245 -4.027 1.632 1.00 1.00 H new ATOM 0 HB2 ARG A 151 -1.399 -5.836 3.023 1.00 1.00 H new ATOM 0 HB3 ARG A 151 -2.440 -4.900 1.968 1.00 1.00 H new ATOM 0 HG2 ARG A 151 -2.513 -6.682 0.313 1.00 1.00 H new ATOM 0 HG3 ARG A 151 -1.234 -7.569 1.118 1.00 1.00 H new ATOM 0 HD2 ARG A 151 -3.632 -8.411 1.538 1.00 1.00 H new ATOM 0 HD3 ARG A 151 -2.642 -8.166 2.964 1.00 1.00 H new ATOM 0 HE ARG A 151 -4.322 -5.854 2.110 1.00 1.00 H new ATOM 0 HH11 ARG A 151 -3.931 -8.659 4.246 1.00 1.00 H new ATOM 0 HH12 ARG A 151 -5.086 -8.061 5.442 1.00 1.00 H new ATOM 0 HH21 ARG A 151 -5.793 -5.066 3.669 1.00 1.00 H new ATOM 0 HH22 ARG A 151 -6.144 -6.020 5.114 1.00 1.00 H new ATOM 299 N GLU A 152 1.936 -5.566 0.988 1.00 1.00 N ATOM 300 CA GLU A 152 3.186 -6.259 1.249 1.00 1.00 C ATOM 301 C GLU A 152 3.773 -5.807 2.589 1.00 1.00 C ATOM 302 O GLU A 152 4.991 -5.735 2.744 1.00 1.00 O ATOM 303 CB GLU A 152 4.184 -6.040 0.111 1.00 1.00 C ATOM 304 CG GLU A 152 4.561 -4.562 -0.011 1.00 1.00 C ATOM 305 CD GLU A 152 4.782 -4.171 -1.473 1.00 1.00 C ATOM 306 OE1 GLU A 152 5.347 -5.011 -2.206 1.00 1.00 O ATOM 307 OE2 GLU A 152 4.381 -3.041 -1.825 1.00 1.00 O ATOM 0 H GLU A 152 1.997 -4.823 0.291 1.00 1.00 H new ATOM 0 HA GLU A 152 2.981 -7.328 1.306 1.00 1.00 H new ATOM 0 HB2 GLU A 152 5.080 -6.634 0.289 1.00 1.00 H new ATOM 0 HB3 GLU A 152 3.753 -6.388 -0.828 1.00 1.00 H new ATOM 0 HG2 GLU A 152 3.772 -3.945 0.419 1.00 1.00 H new ATOM 0 HG3 GLU A 152 5.467 -4.366 0.563 1.00 1.00 H new ATOM 314 N ASN A 153 2.880 -5.515 3.522 1.00 1.00 N ATOM 315 CA ASN A 153 3.290 -4.999 4.817 1.00 1.00 C ATOM 316 C ASN A 153 2.369 -5.561 5.901 1.00 1.00 C ATOM 317 O ASN A 153 2.585 -5.324 7.088 1.00 1.00 O ATOM 318 CB ASN A 153 3.193 -3.473 4.858 1.00 1.00 C ATOM 319 CG ASN A 153 4.011 -2.841 3.730 1.00 1.00 C ATOM 320 OD1 ASN A 153 3.486 -2.395 2.722 1.00 1.00 O ATOM 321 ND2 ASN A 153 5.322 -2.828 3.953 1.00 1.00 N ATOM 0 H ASN A 153 1.873 -5.626 3.407 1.00 1.00 H new ATOM 0 HA ASN A 153 4.324 -5.299 4.987 1.00 1.00 H new ATOM 0 HB2 ASN A 153 2.150 -3.169 4.770 1.00 1.00 H new ATOM 0 HB3 ASN A 153 3.551 -3.108 5.821 1.00 1.00 H new ATOM 0 HD21 ASN A 153 5.953 -2.428 3.259 1.00 1.00 H new ATOM 0 HD22 ASN A 153 5.696 -3.218 4.818 1.00 1.00 H new ATOM 328 N MET A 154 1.360 -6.296 5.454 1.00 1.00 N ATOM 329 CA MET A 154 0.312 -6.753 6.349 1.00 1.00 C ATOM 330 C MET A 154 -0.423 -7.960 5.763 1.00 1.00 C ATOM 331 O MET A 154 -0.852 -7.931 4.610 1.00 1.00 O ATOM 332 CB MET A 154 -0.683 -5.617 6.592 1.00 1.00 C ATOM 333 CG MET A 154 -1.805 -6.062 7.533 1.00 1.00 C ATOM 334 SD MET A 154 -2.743 -4.644 8.078 1.00 1.00 S ATOM 335 CE MET A 154 -3.436 -4.114 6.522 1.00 1.00 C ATOM 0 H MET A 154 1.247 -6.586 4.483 1.00 1.00 H new ATOM 0 HA MET A 154 0.771 -7.054 7.291 1.00 1.00 H new ATOM 0 HB2 MET A 154 -0.164 -4.759 7.020 1.00 1.00 H new ATOM 0 HB3 MET A 154 -1.108 -5.292 5.642 1.00 1.00 H new ATOM 0 HG2 MET A 154 -2.460 -6.768 7.023 1.00 1.00 H new ATOM 0 HG3 MET A 154 -1.384 -6.583 8.393 1.00 1.00 H new ATOM 0 HE1 MET A 154 -4.306 -3.484 6.707 1.00 1.00 H new ATOM 0 HE2 MET A 154 -2.689 -3.548 5.965 1.00 1.00 H new ATOM 0 HE3 MET A 154 -3.737 -4.986 5.942 1.00 1.00 H new ATOM 345 N TYR A 155 -0.546 -8.994 6.583 1.00 1.00 N ATOM 346 CA TYR A 155 -1.247 -10.197 6.169 1.00 1.00 C ATOM 347 C TYR A 155 -2.703 -9.889 5.813 1.00 1.00 C ATOM 348 O TYR A 155 -3.084 -10.201 4.665 1.00 1.00 O ATOM 349 CB TYR A 155 -1.218 -11.137 7.377 1.00 1.00 C ATOM 350 CG TYR A 155 0.191 -11.487 7.859 1.00 1.00 C ATOM 351 CD1 TYR A 155 1.058 -12.165 7.026 1.00 1.00 C ATOM 352 CD2 TYR A 155 0.596 -11.123 9.127 1.00 1.00 C ATOM 353 CE1 TYR A 155 2.384 -12.495 7.480 1.00 1.00 C ATOM 354 CE2 TYR A 155 1.922 -11.452 9.582 1.00 1.00 C ATOM 355 CZ TYR A 155 2.750 -12.121 8.736 1.00 1.00 C ATOM 356 OH TYR A 155 4.003 -12.432 9.166 1.00 1.00 O ATOM 357 OXT TYR A 155 -3.401 -9.348 6.698 1.00 1.00 O ATOM 0 H TYR A 155 -0.172 -9.023 7.532 1.00 1.00 H new ATOM 0 HA TYR A 155 -0.776 -10.632 5.288 1.00 1.00 H new ATOM 0 HB2 TYR A 155 -1.767 -10.675 8.197 1.00 1.00 H new ATOM 0 HB3 TYR A 155 -1.742 -12.058 7.121 1.00 1.00 H new ATOM 0 HD1 TYR A 155 0.742 -12.448 6.033 1.00 1.00 H new ATOM 0 HD2 TYR A 155 -0.082 -10.591 9.778 1.00 1.00 H new ATOM 0 HE1 TYR A 155 3.072 -13.027 6.839 1.00 1.00 H new ATOM 0 HE2 TYR A 155 2.251 -11.174 10.572 1.00 1.00 H new ATOM 0 HH TYR A 155 4.126 -12.103 10.081 1.00 1.00 H new