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 -65:sc= 1.05 USER MOD Set 1.2: A 153 ASN : amide:sc= -1.13 X(o=-0.081,f=-0.52!) USER MOD Single : A 140 HIS : no HE2:sc= 0.0563 K(o=0.056,f=-4.2!) USER MOD Single : A 143 ASN : amide:sc= 0.977 K(o=0.98,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 154 MET CE :methyl 171:sc= -0.0667 (180deg=-0.223) USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 135 2.000 -2.626 2.115 1.00 1.00 N ATOM 2 CA SER A 135 2.309 -1.226 2.358 1.00 1.00 C ATOM 3 C SER A 135 3.478 -0.764 1.485 1.00 1.00 C ATOM 4 O SER A 135 4.552 -1.363 1.510 1.00 1.00 O ATOM 5 CB SER A 135 2.719 -1.134 3.829 1.00 1.00 C ATOM 6 OG SER A 135 1.642 -1.457 4.704 1.00 1.00 O ATOM 0 HA SER A 135 1.451 -0.597 2.123 1.00 1.00 H new ATOM 0 HB2 SER A 135 3.553 -1.810 4.016 1.00 1.00 H new ATOM 0 HB3 SER A 135 3.072 -0.125 4.045 1.00 1.00 H new ATOM 0 HG SER A 135 0.931 -0.789 4.608 1.00 1.00 H new ATOM 14 N ARG A 136 3.228 0.298 0.732 1.00 1.00 N ATOM 15 CA ARG A 136 4.111 0.665 -0.361 1.00 1.00 C ATOM 16 C ARG A 136 4.244 2.187 -0.450 1.00 1.00 C ATOM 17 O ARG A 136 3.244 2.902 -0.433 1.00 1.00 O ATOM 18 CB ARG A 136 3.589 0.126 -1.694 1.00 1.00 C ATOM 19 CG ARG A 136 4.545 0.474 -2.838 1.00 1.00 C ATOM 20 CD ARG A 136 4.259 -0.385 -4.072 1.00 1.00 C ATOM 21 NE ARG A 136 4.858 -1.729 -3.903 1.00 1.00 N ATOM 22 CZ ARG A 136 5.451 -2.415 -4.889 1.00 1.00 C ATOM 23 NH1 ARG A 136 5.376 -1.974 -6.152 1.00 1.00 N ATOM 24 NH2 ARG A 136 6.120 -3.543 -4.611 1.00 1.00 N ATOM 0 H ARG A 136 2.426 0.916 0.858 1.00 1.00 H new ATOM 0 HA ARG A 136 5.087 0.224 -0.161 1.00 1.00 H new ATOM 0 HB2 ARG A 136 3.469 -0.956 -1.631 1.00 1.00 H new ATOM 0 HB3 ARG A 136 2.603 0.544 -1.899 1.00 1.00 H new ATOM 0 HG2 ARG A 136 4.444 1.529 -3.093 1.00 1.00 H new ATOM 0 HG3 ARG A 136 5.575 0.322 -2.515 1.00 1.00 H new ATOM 0 HD2 ARG A 136 3.183 -0.474 -4.222 1.00 1.00 H new ATOM 0 HD3 ARG A 136 4.667 0.095 -4.962 1.00 1.00 H new ATOM 0 HE ARG A 136 4.816 -2.159 -2.979 1.00 1.00 H new ATOM 0 HH11 ARG A 136 4.867 -1.116 -6.363 1.00 1.00 H new ATOM 0 HH12 ARG A 136 5.828 -2.497 -6.902 1.00 1.00 H new ATOM 0 HH21 ARG A 136 6.177 -3.878 -3.649 1.00 1.00 H new ATOM 0 HH22 ARG A 136 6.572 -4.066 -5.361 1.00 1.00 H new ATOM 38 N PRO A 137 5.519 2.649 -0.544 1.00 1.00 N ATOM 39 CA PRO A 137 5.792 4.017 -0.948 1.00 1.00 C ATOM 40 C PRO A 137 5.579 4.197 -2.453 1.00 1.00 C ATOM 41 O PRO A 137 6.367 3.705 -3.258 1.00 1.00 O ATOM 42 CB PRO A 137 7.226 4.276 -0.516 1.00 1.00 C ATOM 43 CG PRO A 137 7.853 2.907 -0.309 1.00 1.00 C ATOM 44 CD PRO A 137 6.732 1.882 -0.269 1.00 1.00 C ATOM 0 HA PRO A 137 5.115 4.735 -0.486 1.00 1.00 H new ATOM 0 HB2 PRO A 137 7.766 4.842 -1.275 1.00 1.00 H new ATOM 0 HB3 PRO A 137 7.257 4.863 0.402 1.00 1.00 H new ATOM 0 HG2 PRO A 137 8.549 2.680 -1.116 1.00 1.00 H new ATOM 0 HG3 PRO A 137 8.424 2.885 0.619 1.00 1.00 H new ATOM 0 HD2 PRO A 137 6.883 1.100 -1.013 1.00 1.00 H new ATOM 0 HD3 PRO A 137 6.679 1.391 0.703 1.00 1.00 H new ATOM 52 N LEU A 138 4.509 4.904 -2.786 1.00 1.00 N ATOM 53 CA LEU A 138 4.132 5.079 -4.178 1.00 1.00 C ATOM 54 C LEU A 138 4.113 6.571 -4.514 1.00 1.00 C ATOM 55 O LEU A 138 3.494 6.984 -5.493 1.00 1.00 O ATOM 56 CB LEU A 138 2.807 4.368 -4.467 1.00 1.00 C ATOM 57 CG LEU A 138 2.824 3.359 -5.618 1.00 1.00 C ATOM 58 CD1 LEU A 138 1.546 2.519 -5.629 1.00 1.00 C ATOM 59 CD2 LEU A 138 3.063 4.060 -6.956 1.00 1.00 C ATOM 0 H LEU A 138 3.891 5.362 -2.116 1.00 1.00 H new ATOM 0 HA LEU A 138 4.869 4.614 -4.833 1.00 1.00 H new ATOM 0 HB2 LEU A 138 2.490 3.851 -3.561 1.00 1.00 H new ATOM 0 HB3 LEU A 138 2.052 5.124 -4.684 1.00 1.00 H new ATOM 0 HG LEU A 138 3.657 2.674 -5.461 1.00 1.00 H new ATOM 0 HD11 LEU A 138 1.584 1.810 -6.456 1.00 1.00 H new ATOM 0 HD12 LEU A 138 1.460 1.975 -4.689 1.00 1.00 H new ATOM 0 HD13 LEU A 138 0.682 3.173 -5.750 1.00 1.00 H new ATOM 0 HD21 LEU A 138 3.071 3.321 -7.758 1.00 1.00 H new ATOM 0 HD22 LEU A 138 2.267 4.782 -7.136 1.00 1.00 H new ATOM 0 HD23 LEU A 138 4.022 4.577 -6.930 1.00 1.00 H new ATOM 71 N ILE A 139 4.801 7.341 -3.682 1.00 1.00 N ATOM 72 CA ILE A 139 4.143 8.374 -2.903 1.00 1.00 C ATOM 73 C ILE A 139 2.710 7.938 -2.590 1.00 1.00 C ATOM 74 O ILE A 139 1.915 7.709 -3.500 1.00 1.00 O ATOM 75 CB ILE A 139 4.232 9.723 -3.618 1.00 1.00 C ATOM 76 CG1 ILE A 139 5.638 9.956 -4.177 1.00 1.00 C ATOM 77 CG2 ILE A 139 3.785 10.862 -2.699 1.00 1.00 C ATOM 78 CD1 ILE A 139 6.673 10.013 -3.051 1.00 1.00 C ATOM 0 H ILE A 139 5.807 7.269 -3.532 1.00 1.00 H new ATOM 0 HA ILE A 139 4.650 8.511 -1.948 1.00 1.00 H new ATOM 0 HB ILE A 139 3.547 9.706 -4.466 1.00 1.00 H new ATOM 0 HG12 ILE A 139 5.894 9.156 -4.871 1.00 1.00 H new ATOM 0 HG13 ILE A 139 5.659 10.888 -4.742 1.00 1.00 H new ATOM 0 HG21 ILE A 139 3.858 11.810 -3.232 1.00 1.00 H new ATOM 0 HG22 ILE A 139 2.752 10.697 -2.391 1.00 1.00 H new ATOM 0 HG23 ILE A 139 4.426 10.891 -1.818 1.00 1.00 H new ATOM 0 HD11 ILE A 139 7.663 10.179 -3.475 1.00 1.00 H new ATOM 0 HD12 ILE A 139 6.427 10.829 -2.372 1.00 1.00 H new ATOM 0 HD13 ILE A 139 6.667 9.071 -2.503 1.00 1.00 H new ATOM 90 N HIS A 140 2.426 7.835 -1.300 1.00 1.00 N ATOM 91 CA HIS A 140 1.177 7.239 -0.855 1.00 1.00 C ATOM 92 C HIS A 140 0.519 8.144 0.188 1.00 1.00 C ATOM 93 O HIS A 140 -0.042 7.661 1.170 1.00 1.00 O ATOM 94 CB HIS A 140 1.407 5.815 -0.344 1.00 1.00 C ATOM 95 CG HIS A 140 2.155 5.747 0.966 1.00 1.00 C ATOM 96 ND1 HIS A 140 2.292 4.575 1.691 1.00 1.00 N ATOM 97 CD2 HIS A 140 2.806 6.714 1.672 1.00 1.00 C ATOM 98 CE1 HIS A 140 2.994 4.838 2.783 1.00 1.00 C ATOM 99 NE2 HIS A 140 3.312 6.164 2.770 1.00 1.00 N ATOM 0 H HIS A 140 3.038 8.154 -0.549 1.00 1.00 H new ATOM 0 HA HIS A 140 0.490 7.155 -1.697 1.00 1.00 H new ATOM 0 HB2 HIS A 140 0.442 5.322 -0.226 1.00 1.00 H new ATOM 0 HB3 HIS A 140 1.961 5.255 -1.097 1.00 1.00 H new ATOM 0 HD1 HIS A 140 1.916 3.664 1.429 1.00 1.00 H new ATOM 0 HD2 HIS A 140 2.895 7.752 1.387 1.00 1.00 H new ATOM 0 HE1 HIS A 140 3.267 4.127 3.549 1.00 1.00 H new ATOM 108 N PHE A 141 0.610 9.442 -0.061 1.00 1.00 N ATOM 109 CA PHE A 141 -0.298 10.389 0.564 1.00 1.00 C ATOM 110 C PHE A 141 -1.664 9.750 0.823 1.00 1.00 C ATOM 111 O PHE A 141 -2.289 9.219 -0.093 1.00 1.00 O ATOM 112 CB PHE A 141 -0.471 11.555 -0.412 1.00 1.00 C ATOM 113 CG PHE A 141 0.681 12.562 -0.389 1.00 1.00 C ATOM 114 CD1 PHE A 141 0.996 13.208 0.766 1.00 1.00 C ATOM 115 CD2 PHE A 141 1.389 12.812 -1.522 1.00 1.00 C ATOM 116 CE1 PHE A 141 2.065 14.142 0.788 1.00 1.00 C ATOM 117 CE2 PHE A 141 2.457 13.747 -1.500 1.00 1.00 C ATOM 118 CZ PHE A 141 2.772 14.392 -0.346 1.00 1.00 C ATOM 0 H PHE A 141 1.298 9.860 -0.687 1.00 1.00 H new ATOM 0 HA PHE A 141 0.108 10.716 1.521 1.00 1.00 H new ATOM 0 HB2 PHE A 141 -0.573 11.158 -1.422 1.00 1.00 H new ATOM 0 HB3 PHE A 141 -1.400 12.076 -0.179 1.00 1.00 H new ATOM 0 HD1 PHE A 141 0.433 13.010 1.666 1.00 1.00 H new ATOM 0 HD2 PHE A 141 1.139 12.299 -2.439 1.00 1.00 H new ATOM 0 HE1 PHE A 141 2.316 14.654 1.705 1.00 1.00 H new ATOM 0 HE2 PHE A 141 3.019 13.946 -2.400 1.00 1.00 H new ATOM 0 HZ PHE A 141 3.584 15.104 -0.330 1.00 1.00 H new ATOM 128 N GLY A 142 -2.087 9.823 2.076 1.00 1.00 N ATOM 129 CA GLY A 142 -1.166 9.657 3.188 1.00 1.00 C ATOM 130 C GLY A 142 -1.671 8.594 4.165 1.00 1.00 C ATOM 131 O GLY A 142 -1.783 8.850 5.364 1.00 1.00 O ATOM 0 H GLY A 142 -3.055 9.995 2.346 1.00 1.00 H new ATOM 0 HA2 GLY A 142 -0.183 9.372 2.812 1.00 1.00 H new ATOM 0 HA3 GLY A 142 -1.045 10.607 3.709 1.00 1.00 H new ATOM 135 N ASN A 143 -1.961 7.423 3.618 1.00 1.00 N ATOM 136 CA ASN A 143 -2.862 6.492 4.276 1.00 1.00 C ATOM 137 C ASN A 143 -2.468 5.060 3.905 1.00 1.00 C ATOM 138 O ASN A 143 -2.936 4.105 4.523 1.00 1.00 O ATOM 139 CB ASN A 143 -4.309 6.715 3.832 1.00 1.00 C ATOM 140 CG ASN A 143 -5.276 6.532 5.002 1.00 1.00 C ATOM 141 OD1 ASN A 143 -6.033 7.420 5.361 1.00 1.00 O ATOM 142 ND2 ASN A 143 -5.210 5.333 5.576 1.00 1.00 N ATOM 0 H ASN A 143 -1.588 7.097 2.726 1.00 1.00 H new ATOM 0 HA ASN A 143 -2.787 6.655 5.351 1.00 1.00 H new ATOM 0 HB2 ASN A 143 -4.416 7.719 3.421 1.00 1.00 H new ATOM 0 HB3 ASN A 143 -4.560 6.015 3.035 1.00 1.00 H new ATOM 0 HD21 ASN A 143 -5.816 5.112 6.366 1.00 1.00 H new ATOM 0 HD22 ASN A 143 -4.554 4.635 5.226 1.00 1.00 H new ATOM 149 N ASP A 144 -1.614 4.958 2.898 1.00 1.00 N ATOM 150 CA ASP A 144 -1.115 3.663 2.468 1.00 1.00 C ATOM 151 C ASP A 144 -2.298 2.752 2.130 1.00 1.00 C ATOM 152 O ASP A 144 -2.397 1.641 2.649 1.00 1.00 O ATOM 153 CB ASP A 144 -0.302 2.991 3.577 1.00 1.00 C ATOM 154 CG ASP A 144 0.595 1.842 3.113 1.00 1.00 C ATOM 155 OD1 ASP A 144 1.357 2.070 2.149 1.00 1.00 O ATOM 156 OD2 ASP A 144 0.500 0.761 3.735 1.00 1.00 O ATOM 0 H ASP A 144 -1.255 5.751 2.367 1.00 1.00 H new ATOM 0 HA ASP A 144 -0.478 3.819 1.597 1.00 1.00 H new ATOM 0 HB2 ASP A 144 0.319 3.745 4.060 1.00 1.00 H new ATOM 0 HB3 ASP A 144 -0.990 2.613 4.333 1.00 1.00 H new ATOM 161 N TYR A 145 -3.164 3.256 1.264 1.00 1.00 N ATOM 162 CA TYR A 145 -4.382 2.543 0.922 1.00 1.00 C ATOM 163 C TYR A 145 -4.172 1.658 -0.308 1.00 1.00 C ATOM 164 O TYR A 145 -5.003 0.804 -0.612 1.00 1.00 O ATOM 165 CB TYR A 145 -5.421 3.617 0.593 1.00 1.00 C ATOM 166 CG TYR A 145 -5.077 4.460 -0.637 1.00 1.00 C ATOM 167 CD1 TYR A 145 -4.272 5.574 -0.507 1.00 1.00 C ATOM 168 CD2 TYR A 145 -5.570 4.105 -1.877 1.00 1.00 C ATOM 169 CE1 TYR A 145 -3.949 6.367 -1.664 1.00 1.00 C ATOM 170 CE2 TYR A 145 -5.246 4.898 -3.034 1.00 1.00 C ATOM 171 CZ TYR A 145 -4.451 5.991 -2.870 1.00 1.00 C ATOM 172 OH TYR A 145 -4.145 6.740 -3.963 1.00 1.00 O ATOM 0 H TYR A 145 -3.046 4.151 0.788 1.00 1.00 H new ATOM 0 HA TYR A 145 -4.694 1.898 1.744 1.00 1.00 H new ATOM 0 HB2 TYR A 145 -6.387 3.137 0.433 1.00 1.00 H new ATOM 0 HB3 TYR A 145 -5.531 4.277 1.454 1.00 1.00 H new ATOM 0 HD1 TYR A 145 -3.885 5.850 0.463 1.00 1.00 H new ATOM 0 HD2 TYR A 145 -6.199 3.233 -1.979 1.00 1.00 H new ATOM 0 HE1 TYR A 145 -3.322 7.242 -1.576 1.00 1.00 H new ATOM 0 HE2 TYR A 145 -5.625 4.632 -4.010 1.00 1.00 H new ATOM 0 HH TYR A 145 -4.572 6.352 -4.755 1.00 1.00 H new ATOM 182 N GLU A 146 -3.057 1.894 -0.984 1.00 1.00 N ATOM 183 CA GLU A 146 -2.660 1.043 -2.093 1.00 1.00 C ATOM 184 C GLU A 146 -2.169 -0.310 -1.574 1.00 1.00 C ATOM 185 O GLU A 146 -1.911 -1.223 -2.357 1.00 1.00 O ATOM 186 CB GLU A 146 -1.590 1.724 -2.949 1.00 1.00 C ATOM 187 CG GLU A 146 -1.897 3.211 -3.132 1.00 1.00 C ATOM 188 CD GLU A 146 -1.072 4.063 -2.164 1.00 1.00 C ATOM 189 OE1 GLU A 146 -1.471 4.123 -0.980 1.00 1.00 O ATOM 190 OE2 GLU A 146 -0.064 4.635 -2.630 1.00 1.00 O ATOM 0 H GLU A 146 -2.416 2.662 -0.785 1.00 1.00 H new ATOM 0 HA GLU A 146 -3.531 0.872 -2.726 1.00 1.00 H new ATOM 0 HB2 GLU A 146 -0.614 1.606 -2.479 1.00 1.00 H new ATOM 0 HB3 GLU A 146 -1.535 1.238 -3.923 1.00 1.00 H new ATOM 0 HG2 GLU A 146 -1.681 3.507 -4.158 1.00 1.00 H new ATOM 0 HG3 GLU A 146 -2.959 3.390 -2.966 1.00 1.00 H new ATOM 197 N ASP A 147 -2.053 -0.396 -0.256 1.00 1.00 N ATOM 198 CA ASP A 147 -1.596 -1.621 0.376 1.00 1.00 C ATOM 199 C ASP A 147 -2.466 -2.788 -0.093 1.00 1.00 C ATOM 200 O ASP A 147 -1.982 -3.911 -0.238 1.00 1.00 O ATOM 201 CB ASP A 147 -1.708 -1.530 1.899 1.00 1.00 C ATOM 202 CG ASP A 147 -1.612 -2.868 2.636 1.00 1.00 C ATOM 203 OD1 ASP A 147 -0.470 -3.360 2.774 1.00 1.00 O ATOM 204 OD2 ASP A 147 -2.682 -3.369 3.043 1.00 1.00 O ATOM 0 H ASP A 147 -2.268 0.363 0.391 1.00 1.00 H new ATOM 0 HA ASP A 147 -0.553 -1.774 0.099 1.00 1.00 H new ATOM 0 HB2 ASP A 147 -0.921 -0.872 2.267 1.00 1.00 H new ATOM 0 HB3 ASP A 147 -2.659 -1.061 2.151 1.00 1.00 H new ATOM 209 N ARG A 148 -3.736 -2.484 -0.320 1.00 1.00 N ATOM 210 CA ARG A 148 -4.709 -3.519 -0.627 1.00 1.00 C ATOM 211 C ARG A 148 -4.331 -4.233 -1.927 1.00 1.00 C ATOM 212 O ARG A 148 -4.840 -5.315 -2.215 1.00 1.00 O ATOM 213 CB ARG A 148 -6.113 -2.928 -0.769 1.00 1.00 C ATOM 214 CG ARG A 148 -6.486 -2.099 0.461 1.00 1.00 C ATOM 215 CD ARG A 148 -6.518 -2.968 1.720 1.00 1.00 C ATOM 216 NE ARG A 148 -5.347 -2.667 2.573 1.00 1.00 N ATOM 217 CZ ARG A 148 -5.281 -1.627 3.416 1.00 1.00 C ATOM 218 NH1 ARG A 148 -6.273 -0.727 3.450 1.00 1.00 N ATOM 219 NH2 ARG A 148 -4.222 -1.488 4.225 1.00 1.00 N ATOM 0 H ARG A 148 -4.113 -1.537 -0.297 1.00 1.00 H new ATOM 0 HA ARG A 148 -4.708 -4.232 0.198 1.00 1.00 H new ATOM 0 HB2 ARG A 148 -6.160 -2.303 -1.661 1.00 1.00 H new ATOM 0 HB3 ARG A 148 -6.838 -3.731 -0.904 1.00 1.00 H new ATOM 0 HG2 ARG A 148 -5.766 -1.291 0.591 1.00 1.00 H new ATOM 0 HG3 ARG A 148 -7.461 -1.636 0.310 1.00 1.00 H new ATOM 0 HD2 ARG A 148 -7.439 -2.786 2.274 1.00 1.00 H new ATOM 0 HD3 ARG A 148 -6.516 -4.022 1.444 1.00 1.00 H new ATOM 0 HE ARG A 148 -4.541 -3.289 2.516 1.00 1.00 H new ATOM 0 HH11 ARG A 148 -7.079 -0.833 2.834 1.00 1.00 H new ATOM 0 HH12 ARG A 148 -6.222 0.064 4.092 1.00 1.00 H new ATOM 0 HH21 ARG A 148 -3.467 -2.173 4.199 1.00 1.00 H new ATOM 0 HH22 ARG A 148 -4.171 -0.697 4.867 1.00 1.00 H new ATOM 233 N TYR A 149 -3.441 -3.600 -2.677 1.00 1.00 N ATOM 234 CA TYR A 149 -2.966 -4.176 -3.923 1.00 1.00 C ATOM 235 C TYR A 149 -1.474 -4.501 -3.843 1.00 1.00 C ATOM 236 O TYR A 149 -0.961 -5.286 -4.640 1.00 1.00 O ATOM 237 CB TYR A 149 -3.186 -3.104 -4.993 1.00 1.00 C ATOM 238 CG TYR A 149 -4.586 -2.489 -4.979 1.00 1.00 C ATOM 239 CD1 TYR A 149 -5.661 -3.208 -5.463 1.00 1.00 C ATOM 240 CD2 TYR A 149 -4.775 -1.215 -4.484 1.00 1.00 C ATOM 241 CE1 TYR A 149 -6.979 -2.628 -5.450 1.00 1.00 C ATOM 242 CE2 TYR A 149 -6.093 -0.635 -4.471 1.00 1.00 C ATOM 243 CZ TYR A 149 -7.131 -1.371 -4.954 1.00 1.00 C ATOM 244 OH TYR A 149 -8.375 -0.823 -4.942 1.00 1.00 O ATOM 0 H TYR A 149 -3.036 -2.693 -2.445 1.00 1.00 H new ATOM 0 HA TYR A 149 -3.495 -5.103 -4.144 1.00 1.00 H new ATOM 0 HB2 TYR A 149 -2.451 -2.311 -4.855 1.00 1.00 H new ATOM 0 HB3 TYR A 149 -3.002 -3.542 -5.974 1.00 1.00 H new ATOM 0 HD1 TYR A 149 -5.513 -4.205 -5.851 1.00 1.00 H new ATOM 0 HD2 TYR A 149 -3.934 -0.653 -4.106 1.00 1.00 H new ATOM 0 HE1 TYR A 149 -7.828 -3.179 -5.826 1.00 1.00 H new ATOM 0 HE2 TYR A 149 -6.254 0.361 -4.087 1.00 1.00 H new ATOM 0 HH TYR A 149 -8.332 0.078 -4.559 1.00 1.00 H new ATOM 254 N TYR A 150 -0.816 -3.881 -2.873 1.00 1.00 N ATOM 255 CA TYR A 150 0.602 -4.114 -2.663 1.00 1.00 C ATOM 256 C TYR A 150 0.888 -4.476 -1.204 1.00 1.00 C ATOM 257 O TYR A 150 1.573 -3.736 -0.499 1.00 1.00 O ATOM 258 CB TYR A 150 1.301 -2.795 -2.994 1.00 1.00 C ATOM 259 CG TYR A 150 1.200 -2.390 -4.467 1.00 1.00 C ATOM 260 CD1 TYR A 150 2.101 -2.889 -5.384 1.00 1.00 C ATOM 261 CD2 TYR A 150 0.205 -1.524 -4.877 1.00 1.00 C ATOM 262 CE1 TYR A 150 2.006 -2.508 -6.769 1.00 1.00 C ATOM 263 CE2 TYR A 150 0.109 -1.145 -6.263 1.00 1.00 C ATOM 264 CZ TYR A 150 1.014 -1.654 -7.140 1.00 1.00 C ATOM 265 OH TYR A 150 0.924 -1.294 -8.449 1.00 1.00 O ATOM 0 H TYR A 150 -1.240 -3.218 -2.224 1.00 1.00 H new ATOM 0 HA TYR A 150 0.951 -4.939 -3.284 1.00 1.00 H new ATOM 0 HB2 TYR A 150 0.871 -2.004 -2.380 1.00 1.00 H new ATOM 0 HB3 TYR A 150 2.353 -2.875 -2.721 1.00 1.00 H new ATOM 0 HD1 TYR A 150 2.879 -3.566 -5.063 1.00 1.00 H new ATOM 0 HD2 TYR A 150 -0.500 -1.132 -4.159 1.00 1.00 H new ATOM 0 HE1 TYR A 150 2.706 -2.891 -7.497 1.00 1.00 H new ATOM 0 HE2 TYR A 150 -0.665 -0.471 -6.598 1.00 1.00 H new ATOM 0 HH TYR A 150 0.169 -0.681 -8.569 1.00 1.00 H new ATOM 275 N ARG A 151 0.348 -5.614 -0.792 1.00 1.00 N ATOM 276 CA ARG A 151 0.404 -6.007 0.606 1.00 1.00 C ATOM 277 C ARG A 151 1.641 -6.870 0.865 1.00 1.00 C ATOM 278 O ARG A 151 1.537 -7.956 1.432 1.00 1.00 O ATOM 279 CB ARG A 151 -0.848 -6.789 1.008 1.00 1.00 C ATOM 280 CG ARG A 151 -1.110 -7.942 0.037 1.00 1.00 C ATOM 281 CD ARG A 151 -2.432 -8.642 0.362 1.00 1.00 C ATOM 282 NE ARG A 151 -3.565 -7.868 -0.191 1.00 1.00 N ATOM 283 CZ ARG A 151 -4.837 -8.012 0.203 1.00 1.00 C ATOM 284 NH1 ARG A 151 -5.139 -8.862 1.194 1.00 1.00 N ATOM 285 NH2 ARG A 151 -5.808 -7.307 -0.393 1.00 1.00 N ATOM 0 H ARG A 151 -0.131 -6.277 -1.402 1.00 1.00 H new ATOM 0 HA ARG A 151 0.459 -5.098 1.205 1.00 1.00 H new ATOM 0 HB2 ARG A 151 -0.728 -7.180 2.018 1.00 1.00 H new ATOM 0 HB3 ARG A 151 -1.709 -6.120 1.025 1.00 1.00 H new ATOM 0 HG2 ARG A 151 -1.136 -7.563 -0.985 1.00 1.00 H new ATOM 0 HG3 ARG A 151 -0.291 -8.660 0.090 1.00 1.00 H new ATOM 0 HD2 ARG A 151 -2.431 -9.649 -0.055 1.00 1.00 H new ATOM 0 HD3 ARG A 151 -2.543 -8.744 1.442 1.00 1.00 H new ATOM 0 HE ARG A 151 -3.365 -7.181 -0.918 1.00 1.00 H new ATOM 0 HH11 ARG A 151 -4.400 -9.399 1.648 1.00 1.00 H new ATOM 0 HH12 ARG A 151 -6.108 -8.972 1.494 1.00 1.00 H new ATOM 0 HH21 ARG A 151 -5.579 -6.660 -1.147 1.00 1.00 H new ATOM 0 HH22 ARG A 151 -6.776 -7.417 -0.092 1.00 1.00 H new ATOM 299 N GLU A 152 2.784 -6.353 0.436 1.00 1.00 N ATOM 300 CA GLU A 152 4.028 -7.094 0.547 1.00 1.00 C ATOM 301 C GLU A 152 4.538 -7.063 1.989 1.00 1.00 C ATOM 302 O GLU A 152 5.742 -6.973 2.224 1.00 1.00 O ATOM 303 CB GLU A 152 5.081 -6.546 -0.418 1.00 1.00 C ATOM 304 CG GLU A 152 5.358 -5.067 -0.144 1.00 1.00 C ATOM 305 CD GLU A 152 5.560 -4.295 -1.450 1.00 1.00 C ATOM 306 OE1 GLU A 152 6.529 -4.633 -2.164 1.00 1.00 O ATOM 307 OE2 GLU A 152 4.740 -3.387 -1.707 1.00 1.00 O ATOM 0 H GLU A 152 2.874 -5.430 0.011 1.00 1.00 H new ATOM 0 HA GLU A 152 3.835 -8.131 0.272 1.00 1.00 H new ATOM 0 HB2 GLU A 152 6.004 -7.117 -0.318 1.00 1.00 H new ATOM 0 HB3 GLU A 152 4.739 -6.671 -1.445 1.00 1.00 H new ATOM 0 HG2 GLU A 152 4.527 -4.635 0.413 1.00 1.00 H new ATOM 0 HG3 GLU A 152 6.246 -4.969 0.481 1.00 1.00 H new ATOM 314 N ASN A 153 3.596 -7.139 2.919 1.00 1.00 N ATOM 315 CA ASN A 153 3.940 -7.250 4.326 1.00 1.00 C ATOM 316 C ASN A 153 2.673 -7.540 5.134 1.00 1.00 C ATOM 317 O ASN A 153 2.630 -7.286 6.337 1.00 1.00 O ATOM 318 CB ASN A 153 4.547 -5.946 4.848 1.00 1.00 C ATOM 319 CG ASN A 153 3.652 -4.751 4.510 1.00 1.00 C ATOM 320 OD1 ASN A 153 3.790 -4.112 3.479 1.00 1.00 O ATOM 321 ND2 ASN A 153 2.733 -4.486 5.433 1.00 1.00 N ATOM 0 H ASN A 153 2.595 -7.126 2.725 1.00 1.00 H new ATOM 0 HA ASN A 153 4.667 -8.055 4.434 1.00 1.00 H new ATOM 0 HB2 ASN A 153 4.682 -6.010 5.928 1.00 1.00 H new ATOM 0 HB3 ASN A 153 5.535 -5.800 4.411 1.00 1.00 H new ATOM 0 HD21 ASN A 153 2.088 -3.707 5.301 1.00 1.00 H new ATOM 0 HD22 ASN A 153 2.673 -5.062 6.273 1.00 1.00 H new ATOM 328 N MET A 154 1.675 -8.067 4.442 1.00 1.00 N ATOM 329 CA MET A 154 0.390 -8.332 5.065 1.00 1.00 C ATOM 330 C MET A 154 -0.395 -9.383 4.278 1.00 1.00 C ATOM 331 O MET A 154 -0.191 -9.544 3.076 1.00 1.00 O ATOM 332 CB MET A 154 -0.422 -7.037 5.135 1.00 1.00 C ATOM 333 CG MET A 154 -1.504 -7.125 6.212 1.00 1.00 C ATOM 334 SD MET A 154 -2.423 -5.597 6.280 1.00 1.00 S ATOM 335 CE MET A 154 -3.458 -5.794 4.839 1.00 1.00 C ATOM 0 H MET A 154 1.730 -8.318 3.455 1.00 1.00 H new ATOM 0 HA MET A 154 0.568 -8.715 6.070 1.00 1.00 H new ATOM 0 HB2 MET A 154 0.241 -6.199 5.349 1.00 1.00 H new ATOM 0 HB3 MET A 154 -0.883 -6.840 4.167 1.00 1.00 H new ATOM 0 HG2 MET A 154 -2.177 -7.955 5.996 1.00 1.00 H new ATOM 0 HG3 MET A 154 -1.048 -7.328 7.181 1.00 1.00 H new ATOM 0 HE1 MET A 154 -4.208 -5.004 4.819 1.00 1.00 H new ATOM 0 HE2 MET A 154 -2.845 -5.735 3.940 1.00 1.00 H new ATOM 0 HE3 MET A 154 -3.954 -6.764 4.877 1.00 1.00 H new ATOM 345 N TYR A 155 -1.275 -10.073 4.988 1.00 1.00 N ATOM 346 CA TYR A 155 -2.218 -10.972 4.344 1.00 1.00 C ATOM 347 C TYR A 155 -3.179 -10.200 3.438 1.00 1.00 C ATOM 348 O TYR A 155 -3.530 -10.759 2.376 1.00 1.00 O ATOM 349 CB TYR A 155 -3.016 -11.627 5.473 1.00 1.00 C ATOM 350 CG TYR A 155 -2.151 -12.346 6.510 1.00 1.00 C ATOM 351 CD1 TYR A 155 -1.369 -13.418 6.133 1.00 1.00 C ATOM 352 CD2 TYR A 155 -2.153 -11.922 7.824 1.00 1.00 C ATOM 353 CE1 TYR A 155 -0.555 -14.094 7.110 1.00 1.00 C ATOM 354 CE2 TYR A 155 -1.339 -12.598 8.800 1.00 1.00 C ATOM 355 CZ TYR A 155 -0.580 -13.651 8.394 1.00 1.00 C ATOM 356 OH TYR A 155 0.189 -14.290 9.317 1.00 1.00 O ATOM 357 OXT TYR A 155 -3.541 -9.069 3.827 1.00 1.00 O ATOM 0 H TYR A 155 -1.355 -10.028 6.004 1.00 1.00 H new ATOM 0 HA TYR A 155 -1.693 -11.701 3.727 1.00 1.00 H new ATOM 0 HB2 TYR A 155 -3.609 -10.863 5.976 1.00 1.00 H new ATOM 0 HB3 TYR A 155 -3.717 -12.341 5.042 1.00 1.00 H new ATOM 0 HD1 TYR A 155 -1.367 -13.750 5.105 1.00 1.00 H new ATOM 0 HD2 TYR A 155 -2.765 -11.083 8.120 1.00 1.00 H new ATOM 0 HE1 TYR A 155 0.062 -14.935 6.828 1.00 1.00 H new ATOM 0 HE2 TYR A 155 -1.331 -12.276 9.831 1.00 1.00 H new ATOM 0 HH TYR A 155 0.072 -13.864 10.192 1.00 1.00 H new