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 Single : A 135 SER OG : rot 131:sc= 0.42 USER MOD Single : A 140 HIS : no HE2:sc= -1.98 K(o=-2,f=-6.3!) USER MOD Single : A 143 ASN : amide:sc= 0.646 K(o=0.65,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= -0.0278 K(o=-0.028,f=-0.58) 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 1.862 0.022 1.943 1.00 1.00 N ATOM 2 CA SER A 135 2.283 -0.415 0.623 1.00 1.00 C ATOM 3 C SER A 135 3.620 0.221 0.235 1.00 1.00 C ATOM 4 O SER A 135 4.278 0.847 1.064 1.00 1.00 O ATOM 5 CB SER A 135 1.201 0.068 -0.346 1.00 1.00 C ATOM 6 OG SER A 135 1.159 -0.718 -1.533 1.00 1.00 O ATOM 0 HA SER A 135 2.412 -1.497 0.600 1.00 1.00 H new ATOM 0 HB2 SER A 135 0.230 0.032 0.148 1.00 1.00 H new ATOM 0 HB3 SER A 135 1.387 1.110 -0.607 1.00 1.00 H new ATOM 0 HG SER A 135 0.235 -0.993 -1.711 1.00 1.00 H new ATOM 14 N ARG A 136 3.981 0.037 -1.026 1.00 1.00 N ATOM 15 CA ARG A 136 5.053 0.819 -1.619 1.00 1.00 C ATOM 16 C ARG A 136 4.681 2.303 -1.634 1.00 1.00 C ATOM 17 O ARG A 136 3.510 2.652 -1.769 1.00 1.00 O ATOM 18 CB ARG A 136 5.344 0.360 -3.049 1.00 1.00 C ATOM 19 CG ARG A 136 5.957 -1.043 -3.059 1.00 1.00 C ATOM 20 CD ARG A 136 6.013 -1.605 -4.482 1.00 1.00 C ATOM 21 NE ARG A 136 6.744 -2.893 -4.489 1.00 1.00 N ATOM 22 CZ ARG A 136 6.241 -4.043 -4.020 1.00 1.00 C ATOM 23 NH1 ARG A 136 4.952 -4.118 -3.667 1.00 1.00 N ATOM 24 NH2 ARG A 136 7.030 -5.121 -3.906 1.00 1.00 N ATOM 0 H ARG A 136 3.551 -0.642 -1.654 1.00 1.00 H new ATOM 0 HA ARG A 136 5.946 0.670 -1.013 1.00 1.00 H new ATOM 0 HB2 ARG A 136 4.422 0.362 -3.631 1.00 1.00 H new ATOM 0 HB3 ARG A 136 6.026 1.062 -3.529 1.00 1.00 H new ATOM 0 HG2 ARG A 136 6.962 -1.008 -2.638 1.00 1.00 H new ATOM 0 HG3 ARG A 136 5.368 -1.706 -2.425 1.00 1.00 H new ATOM 0 HD2 ARG A 136 5.003 -1.749 -4.865 1.00 1.00 H new ATOM 0 HD3 ARG A 136 6.507 -0.893 -5.144 1.00 1.00 H new ATOM 0 HE ARG A 136 7.688 -2.905 -4.874 1.00 1.00 H new ATOM 0 HH11 ARG A 136 4.351 -3.299 -3.755 1.00 1.00 H new ATOM 0 HH12 ARG A 136 4.571 -4.994 -3.310 1.00 1.00 H new ATOM 0 HH21 ARG A 136 8.012 -5.065 -4.176 1.00 1.00 H new ATOM 0 HH22 ARG A 136 6.648 -5.997 -3.549 1.00 1.00 H new ATOM 38 N PRO A 137 5.729 3.159 -1.489 1.00 1.00 N ATOM 39 CA PRO A 137 5.535 4.597 -1.567 1.00 1.00 C ATOM 40 C PRO A 137 5.327 5.044 -3.016 1.00 1.00 C ATOM 41 O PRO A 137 6.072 4.641 -3.908 1.00 1.00 O ATOM 42 CB PRO A 137 6.781 5.196 -0.935 1.00 1.00 C ATOM 43 CG PRO A 137 7.827 4.093 -0.948 1.00 1.00 C ATOM 44 CD PRO A 137 7.119 2.782 -1.247 1.00 1.00 C ATOM 0 HA PRO A 137 4.639 4.930 -1.044 1.00 1.00 H new ATOM 0 HB2 PRO A 137 7.124 6.066 -1.496 1.00 1.00 H new ATOM 0 HB3 PRO A 137 6.580 5.532 0.082 1.00 1.00 H new ATOM 0 HG2 PRO A 137 8.587 4.297 -1.702 1.00 1.00 H new ATOM 0 HG3 PRO A 137 8.338 4.040 0.013 1.00 1.00 H new ATOM 0 HD2 PRO A 137 7.552 2.287 -2.116 1.00 1.00 H new ATOM 0 HD3 PRO A 137 7.201 2.088 -0.411 1.00 1.00 H new ATOM 52 N LEU A 138 4.309 5.870 -3.205 1.00 1.00 N ATOM 53 CA LEU A 138 4.081 6.494 -4.497 1.00 1.00 C ATOM 54 C LEU A 138 4.289 8.004 -4.374 1.00 1.00 C ATOM 55 O LEU A 138 3.857 8.766 -5.237 1.00 1.00 O ATOM 56 CB LEU A 138 2.707 6.104 -5.046 1.00 1.00 C ATOM 57 CG LEU A 138 2.553 6.154 -6.568 1.00 1.00 C ATOM 58 CD1 LEU A 138 3.292 4.990 -7.231 1.00 1.00 C ATOM 59 CD2 LEU A 138 1.077 6.200 -6.969 1.00 1.00 C ATOM 0 H LEU A 138 3.632 6.122 -2.485 1.00 1.00 H new ATOM 0 HA LEU A 138 4.804 6.132 -5.227 1.00 1.00 H new ATOM 0 HB2 LEU A 138 2.478 5.093 -4.711 1.00 1.00 H new ATOM 0 HB3 LEU A 138 1.960 6.764 -4.603 1.00 1.00 H new ATOM 0 HG LEU A 138 3.012 7.074 -6.928 1.00 1.00 H new ATOM 0 HD11 LEU A 138 3.167 5.048 -8.312 1.00 1.00 H new ATOM 0 HD12 LEU A 138 4.352 5.045 -6.985 1.00 1.00 H new ATOM 0 HD13 LEU A 138 2.884 4.046 -6.869 1.00 1.00 H new ATOM 0 HD21 LEU A 138 0.996 6.235 -8.055 1.00 1.00 H new ATOM 0 HD22 LEU A 138 0.571 5.310 -6.596 1.00 1.00 H new ATOM 0 HD23 LEU A 138 0.611 7.088 -6.542 1.00 1.00 H new ATOM 71 N ILE A 139 4.950 8.392 -3.292 1.00 1.00 N ATOM 72 CA ILE A 139 4.372 9.350 -2.366 1.00 1.00 C ATOM 73 C ILE A 139 2.846 9.278 -2.450 1.00 1.00 C ATOM 74 O ILE A 139 2.259 9.647 -3.466 1.00 1.00 O ATOM 75 CB ILE A 139 4.936 10.749 -2.621 1.00 1.00 C ATOM 76 CG1 ILE A 139 6.466 10.730 -2.629 1.00 1.00 C ATOM 77 CG2 ILE A 139 4.381 11.758 -1.612 1.00 1.00 C ATOM 78 CD1 ILE A 139 7.017 10.346 -1.254 1.00 1.00 C ATOM 0 H ILE A 139 5.880 8.060 -3.037 1.00 1.00 H new ATOM 0 HA ILE A 139 4.647 9.102 -1.341 1.00 1.00 H new ATOM 0 HB ILE A 139 4.612 11.072 -3.610 1.00 1.00 H new ATOM 0 HG12 ILE A 139 6.820 10.021 -3.378 1.00 1.00 H new ATOM 0 HG13 ILE A 139 6.844 11.712 -2.915 1.00 1.00 H new ATOM 0 HG21 ILE A 139 4.798 12.744 -1.816 1.00 1.00 H new ATOM 0 HG22 ILE A 139 3.295 11.799 -1.698 1.00 1.00 H new ATOM 0 HG23 ILE A 139 4.654 11.451 -0.602 1.00 1.00 H new ATOM 0 HD11 ILE A 139 8.106 10.340 -1.287 1.00 1.00 H new ATOM 0 HD12 ILE A 139 6.681 11.070 -0.512 1.00 1.00 H new ATOM 0 HD13 ILE A 139 6.657 9.354 -0.982 1.00 1.00 H new ATOM 90 N HIS A 140 2.247 8.802 -1.368 1.00 1.00 N ATOM 91 CA HIS A 140 0.803 8.647 -1.318 1.00 1.00 C ATOM 92 C HIS A 140 0.277 9.163 0.022 1.00 1.00 C ATOM 93 O HIS A 140 -0.381 8.429 0.759 1.00 1.00 O ATOM 94 CB HIS A 140 0.403 7.197 -1.595 1.00 1.00 C ATOM 95 CG HIS A 140 1.062 6.193 -0.679 1.00 1.00 C ATOM 96 ND1 HIS A 140 1.181 4.851 -1.000 1.00 1.00 N ATOM 97 CD2 HIS A 140 1.635 6.348 0.549 1.00 1.00 C ATOM 98 CE1 HIS A 140 1.800 4.236 -0.003 1.00 1.00 C ATOM 99 NE2 HIS A 140 2.080 5.166 0.955 1.00 1.00 N ATOM 0 H HIS A 140 2.736 8.518 -0.519 1.00 1.00 H new ATOM 0 HA HIS A 140 0.342 9.246 -2.103 1.00 1.00 H new ATOM 0 HB2 HIS A 140 -0.679 7.105 -1.500 1.00 1.00 H new ATOM 0 HB3 HIS A 140 0.655 6.952 -2.627 1.00 1.00 H new ATOM 0 HD1 HIS A 140 0.849 4.411 -1.858 1.00 1.00 H new ATOM 0 HD2 HIS A 140 1.713 7.275 1.097 1.00 1.00 H new ATOM 0 HE1 HIS A 140 2.040 3.184 0.043 1.00 1.00 H new ATOM 108 N PHE A 141 0.589 10.420 0.300 1.00 1.00 N ATOM 109 CA PHE A 141 -0.239 11.218 1.190 1.00 1.00 C ATOM 110 C PHE A 141 -1.673 10.685 1.228 1.00 1.00 C ATOM 111 O PHE A 141 -2.307 10.526 0.186 1.00 1.00 O ATOM 112 CB PHE A 141 -0.251 12.642 0.633 1.00 1.00 C ATOM 113 CG PHE A 141 1.042 13.419 0.886 1.00 1.00 C ATOM 114 CD1 PHE A 141 1.352 13.834 2.144 1.00 1.00 C ATOM 115 CD2 PHE A 141 1.883 13.696 -0.147 1.00 1.00 C ATOM 116 CE1 PHE A 141 2.553 14.556 2.377 1.00 1.00 C ATOM 117 CE2 PHE A 141 3.082 14.418 0.087 1.00 1.00 C ATOM 118 CZ PHE A 141 3.392 14.832 1.345 1.00 1.00 C ATOM 0 H PHE A 141 1.404 10.906 -0.075 1.00 1.00 H new ATOM 0 HA PHE A 141 0.161 11.182 2.203 1.00 1.00 H new ATOM 0 HB2 PHE A 141 -0.433 12.600 -0.441 1.00 1.00 H new ATOM 0 HB3 PHE A 141 -1.084 13.188 1.077 1.00 1.00 H new ATOM 0 HD1 PHE A 141 0.685 13.615 2.965 1.00 1.00 H new ATOM 0 HD2 PHE A 141 1.638 13.366 -1.146 1.00 1.00 H new ATOM 0 HE1 PHE A 141 2.799 14.886 3.376 1.00 1.00 H new ATOM 0 HE2 PHE A 141 3.748 14.639 -0.734 1.00 1.00 H new ATOM 0 HZ PHE A 141 4.305 15.380 1.523 1.00 1.00 H new ATOM 128 N GLY A 142 -2.142 10.424 2.439 1.00 1.00 N ATOM 129 CA GLY A 142 -1.262 9.957 3.497 1.00 1.00 C ATOM 130 C GLY A 142 -1.926 8.845 4.311 1.00 1.00 C ATOM 131 O GLY A 142 -2.079 8.966 5.525 1.00 1.00 O ATOM 0 H GLY A 142 -3.120 10.527 2.711 1.00 1.00 H new ATOM 0 HA2 GLY A 142 -0.331 9.590 3.065 1.00 1.00 H new ATOM 0 HA3 GLY A 142 -1.003 10.788 4.153 1.00 1.00 H new ATOM 135 N ASN A 143 -2.302 7.785 3.609 1.00 1.00 N ATOM 136 CA ASN A 143 -3.251 6.827 4.151 1.00 1.00 C ATOM 137 C ASN A 143 -2.962 5.444 3.564 1.00 1.00 C ATOM 138 O ASN A 143 -3.356 4.429 4.137 1.00 1.00 O ATOM 139 CB ASN A 143 -4.687 7.205 3.785 1.00 1.00 C ATOM 140 CG ASN A 143 -5.645 6.897 4.936 1.00 1.00 C ATOM 141 OD1 ASN A 143 -6.372 7.751 5.419 1.00 1.00 O ATOM 142 ND2 ASN A 143 -5.607 5.634 5.349 1.00 1.00 N ATOM 0 H ASN A 143 -1.967 7.569 2.670 1.00 1.00 H new ATOM 0 HA ASN A 143 -3.145 6.824 5.236 1.00 1.00 H new ATOM 0 HB2 ASN A 143 -4.736 8.266 3.540 1.00 1.00 H new ATOM 0 HB3 ASN A 143 -4.995 6.658 2.894 1.00 1.00 H new ATOM 0 HD21 ASN A 143 -6.209 5.329 6.113 1.00 1.00 H new ATOM 0 HD22 ASN A 143 -4.975 4.970 4.901 1.00 1.00 H new ATOM 149 N ASP A 144 -2.278 5.448 2.430 1.00 1.00 N ATOM 150 CA ASP A 144 -1.666 4.233 1.921 1.00 1.00 C ATOM 151 C ASP A 144 -2.746 3.166 1.727 1.00 1.00 C ATOM 152 O ASP A 144 -2.641 2.066 2.269 1.00 1.00 O ATOM 153 CB ASP A 144 -0.630 3.684 2.903 1.00 1.00 C ATOM 154 CG ASP A 144 0.449 2.797 2.276 1.00 1.00 C ATOM 155 OD1 ASP A 144 0.121 2.127 1.273 1.00 1.00 O ATOM 156 OD2 ASP A 144 1.576 2.809 2.815 1.00 1.00 O ATOM 0 H ASP A 144 -2.134 6.274 1.849 1.00 1.00 H new ATOM 0 HA ASP A 144 -1.176 4.472 0.977 1.00 1.00 H new ATOM 0 HB2 ASP A 144 -0.145 4.523 3.402 1.00 1.00 H new ATOM 0 HB3 ASP A 144 -1.148 3.111 3.672 1.00 1.00 H new ATOM 161 N TYR A 145 -3.757 3.527 0.952 1.00 1.00 N ATOM 162 CA TYR A 145 -4.827 2.596 0.635 1.00 1.00 C ATOM 163 C TYR A 145 -4.359 1.547 -0.375 1.00 1.00 C ATOM 164 O TYR A 145 -5.079 0.592 -0.662 1.00 1.00 O ATOM 165 CB TYR A 145 -5.942 3.433 0.005 1.00 1.00 C ATOM 166 CG TYR A 145 -5.447 4.467 -1.010 1.00 1.00 C ATOM 167 CD1 TYR A 145 -5.235 4.097 -2.322 1.00 1.00 C ATOM 168 CD2 TYR A 145 -5.213 5.767 -0.612 1.00 1.00 C ATOM 169 CE1 TYR A 145 -4.768 5.070 -3.277 1.00 1.00 C ATOM 170 CE2 TYR A 145 -4.747 6.740 -1.566 1.00 1.00 C ATOM 171 CZ TYR A 145 -4.547 6.342 -2.852 1.00 1.00 C ATOM 172 OH TYR A 145 -4.107 7.260 -3.753 1.00 1.00 O ATOM 0 H TYR A 145 -3.858 4.452 0.534 1.00 1.00 H new ATOM 0 HA TYR A 145 -5.156 2.069 1.531 1.00 1.00 H new ATOM 0 HB2 TYR A 145 -6.649 2.766 -0.487 1.00 1.00 H new ATOM 0 HB3 TYR A 145 -6.487 3.948 0.796 1.00 1.00 H new ATOM 0 HD1 TYR A 145 -5.419 3.079 -2.633 1.00 1.00 H new ATOM 0 HD2 TYR A 145 -5.379 6.055 0.415 1.00 1.00 H new ATOM 0 HE1 TYR A 145 -4.597 4.795 -4.307 1.00 1.00 H new ATOM 0 HE2 TYR A 145 -4.561 7.761 -1.268 1.00 1.00 H new ATOM 0 HH TYR A 145 -3.994 8.126 -3.309 1.00 1.00 H new ATOM 182 N GLU A 146 -3.156 1.761 -0.888 1.00 1.00 N ATOM 183 CA GLU A 146 -2.663 0.963 -1.998 1.00 1.00 C ATOM 184 C GLU A 146 -2.087 -0.359 -1.486 1.00 1.00 C ATOM 185 O GLU A 146 -1.552 -1.149 -2.263 1.00 1.00 O ATOM 186 CB GLU A 146 -1.623 1.737 -2.810 1.00 1.00 C ATOM 187 CG GLU A 146 -2.140 3.129 -3.180 1.00 1.00 C ATOM 188 CD GLU A 146 -1.059 3.944 -3.893 1.00 1.00 C ATOM 189 OE1 GLU A 146 0.005 4.144 -3.268 1.00 1.00 O ATOM 190 OE2 GLU A 146 -1.322 4.349 -5.046 1.00 1.00 O ATOM 0 H GLU A 146 -2.508 2.475 -0.555 1.00 1.00 H new ATOM 0 HA GLU A 146 -3.500 0.740 -2.660 1.00 1.00 H new ATOM 0 HB2 GLU A 146 -0.702 1.829 -2.234 1.00 1.00 H new ATOM 0 HB3 GLU A 146 -1.379 1.183 -3.717 1.00 1.00 H new ATOM 0 HG2 GLU A 146 -3.015 3.037 -3.824 1.00 1.00 H new ATOM 0 HG3 GLU A 146 -2.461 3.653 -2.280 1.00 1.00 H new ATOM 197 N ASP A 147 -2.216 -0.559 -0.183 1.00 1.00 N ATOM 198 CA ASP A 147 -1.632 -1.725 0.456 1.00 1.00 C ATOM 199 C ASP A 147 -2.351 -2.984 -0.035 1.00 1.00 C ATOM 200 O ASP A 147 -1.731 -4.033 -0.198 1.00 1.00 O ATOM 201 CB ASP A 147 -1.786 -1.655 1.977 1.00 1.00 C ATOM 202 CG ASP A 147 -0.805 -2.523 2.767 1.00 1.00 C ATOM 203 OD1 ASP A 147 0.386 -2.147 2.800 1.00 1.00 O ATOM 204 OD2 ASP A 147 -1.268 -3.544 3.320 1.00 1.00 O ATOM 0 H ASP A 147 -2.717 0.067 0.448 1.00 1.00 H new ATOM 0 HA ASP A 147 -0.572 -1.754 0.202 1.00 1.00 H new ATOM 0 HB2 ASP A 147 -1.666 -0.618 2.292 1.00 1.00 H new ATOM 0 HB3 ASP A 147 -2.802 -1.952 2.238 1.00 1.00 H new ATOM 209 N ARG A 148 -3.649 -2.836 -0.256 1.00 1.00 N ATOM 210 CA ARG A 148 -4.511 -3.991 -0.450 1.00 1.00 C ATOM 211 C ARG A 148 -4.240 -4.630 -1.814 1.00 1.00 C ATOM 212 O ARG A 148 -4.714 -5.730 -2.092 1.00 1.00 O ATOM 213 CB ARG A 148 -5.986 -3.597 -0.362 1.00 1.00 C ATOM 214 CG ARG A 148 -6.295 -2.926 0.978 1.00 1.00 C ATOM 215 CD ARG A 148 -6.298 -3.948 2.115 1.00 1.00 C ATOM 216 NE ARG A 148 -4.918 -4.159 2.609 1.00 1.00 N ATOM 217 CZ ARG A 148 -4.526 -5.233 3.307 1.00 1.00 C ATOM 218 NH1 ARG A 148 -5.430 -6.131 3.720 1.00 1.00 N ATOM 219 NH2 ARG A 148 -3.228 -5.411 3.590 1.00 1.00 N ATOM 0 H ARG A 148 -4.125 -1.935 -0.305 1.00 1.00 H new ATOM 0 HA ARG A 148 -4.291 -4.708 0.341 1.00 1.00 H new ATOM 0 HB2 ARG A 148 -6.234 -2.919 -1.178 1.00 1.00 H new ATOM 0 HB3 ARG A 148 -6.610 -4.482 -0.482 1.00 1.00 H new ATOM 0 HG2 ARG A 148 -5.554 -2.153 1.181 1.00 1.00 H new ATOM 0 HG3 ARG A 148 -7.265 -2.432 0.926 1.00 1.00 H new ATOM 0 HD2 ARG A 148 -6.935 -3.598 2.928 1.00 1.00 H new ATOM 0 HD3 ARG A 148 -6.716 -4.892 1.766 1.00 1.00 H new ATOM 0 HE ARG A 148 -4.222 -3.442 2.405 1.00 1.00 H new ATOM 0 HH11 ARG A 148 -6.418 -5.997 3.503 1.00 1.00 H new ATOM 0 HH12 ARG A 148 -5.131 -6.949 4.251 1.00 1.00 H new ATOM 0 HH21 ARG A 148 -2.539 -4.729 3.274 1.00 1.00 H new ATOM 0 HH22 ARG A 148 -2.929 -6.229 4.122 1.00 1.00 H new ATOM 233 N TYR A 149 -3.480 -3.912 -2.628 1.00 1.00 N ATOM 234 CA TYR A 149 -3.095 -4.419 -3.934 1.00 1.00 C ATOM 235 C TYR A 149 -1.700 -5.047 -3.888 1.00 1.00 C ATOM 236 O TYR A 149 -1.371 -5.901 -4.710 1.00 1.00 O ATOM 237 CB TYR A 149 -3.065 -3.207 -4.866 1.00 1.00 C ATOM 238 CG TYR A 149 -4.374 -2.416 -4.899 1.00 1.00 C ATOM 239 CD1 TYR A 149 -4.621 -1.450 -3.945 1.00 1.00 C ATOM 240 CD2 TYR A 149 -5.307 -2.667 -5.884 1.00 1.00 C ATOM 241 CE1 TYR A 149 -5.853 -0.705 -3.977 1.00 1.00 C ATOM 242 CE2 TYR A 149 -6.540 -1.922 -5.916 1.00 1.00 C ATOM 243 CZ TYR A 149 -6.752 -0.978 -4.960 1.00 1.00 C ATOM 244 OH TYR A 149 -7.916 -0.275 -4.990 1.00 1.00 O ATOM 0 H TYR A 149 -3.121 -2.983 -2.408 1.00 1.00 H new ATOM 0 HA TYR A 149 -3.793 -5.186 -4.269 1.00 1.00 H new ATOM 0 HB2 TYR A 149 -2.259 -2.543 -4.556 1.00 1.00 H new ATOM 0 HB3 TYR A 149 -2.830 -3.544 -5.876 1.00 1.00 H new ATOM 0 HD1 TYR A 149 -3.890 -1.253 -3.174 1.00 1.00 H new ATOM 0 HD2 TYR A 149 -5.113 -3.422 -6.631 1.00 1.00 H new ATOM 0 HE1 TYR A 149 -6.058 0.054 -3.237 1.00 1.00 H new ATOM 0 HE2 TYR A 149 -7.279 -2.109 -6.681 1.00 1.00 H new ATOM 0 HH TYR A 149 -8.461 -0.576 -5.747 1.00 1.00 H new ATOM 254 N TYR A 150 -0.916 -4.599 -2.918 1.00 1.00 N ATOM 255 CA TYR A 150 0.446 -5.082 -2.773 1.00 1.00 C ATOM 256 C TYR A 150 0.708 -5.566 -1.346 1.00 1.00 C ATOM 257 O TYR A 150 1.601 -5.058 -0.668 1.00 1.00 O ATOM 258 CB TYR A 150 1.352 -3.885 -3.067 1.00 1.00 C ATOM 259 CG TYR A 150 1.263 -3.375 -4.507 1.00 1.00 C ATOM 260 CD1 TYR A 150 2.031 -3.959 -5.494 1.00 1.00 C ATOM 261 CD2 TYR A 150 0.414 -2.333 -4.819 1.00 1.00 C ATOM 262 CE1 TYR A 150 1.948 -3.480 -6.850 1.00 1.00 C ATOM 263 CE2 TYR A 150 0.330 -1.854 -6.175 1.00 1.00 C ATOM 264 CZ TYR A 150 1.101 -2.451 -7.123 1.00 1.00 C ATOM 265 OH TYR A 150 1.022 -1.998 -8.403 1.00 1.00 O ATOM 0 H TYR A 150 -1.199 -3.906 -2.225 1.00 1.00 H new ATOM 0 HA TYR A 150 0.629 -5.920 -3.446 1.00 1.00 H new ATOM 0 HB2 TYR A 150 1.094 -3.072 -2.388 1.00 1.00 H new ATOM 0 HB3 TYR A 150 2.384 -4.163 -2.854 1.00 1.00 H new ATOM 0 HD1 TYR A 150 2.694 -4.775 -5.250 1.00 1.00 H new ATOM 0 HD2 TYR A 150 -0.187 -1.877 -4.047 1.00 1.00 H new ATOM 0 HE1 TYR A 150 2.544 -3.927 -7.632 1.00 1.00 H new ATOM 0 HE2 TYR A 150 -0.330 -1.039 -6.433 1.00 1.00 H new ATOM 0 HH TYR A 150 0.377 -1.262 -8.450 1.00 1.00 H new ATOM 275 N ARG A 151 -0.086 -6.543 -0.930 1.00 1.00 N ATOM 276 CA ARG A 151 -0.251 -6.822 0.485 1.00 1.00 C ATOM 277 C ARG A 151 0.753 -7.884 0.937 1.00 1.00 C ATOM 278 O ARG A 151 0.386 -8.840 1.618 1.00 1.00 O ATOM 279 CB ARG A 151 -1.670 -7.309 0.788 1.00 1.00 C ATOM 280 CG ARG A 151 -2.058 -8.472 -0.128 1.00 1.00 C ATOM 281 CD ARG A 151 -3.459 -8.988 0.205 1.00 1.00 C ATOM 282 NE ARG A 151 -4.481 -8.081 -0.363 1.00 1.00 N ATOM 283 CZ ARG A 151 -5.753 -8.027 0.053 1.00 1.00 C ATOM 284 NH1 ARG A 151 -6.114 -8.646 1.185 1.00 1.00 N ATOM 285 NH2 ARG A 151 -6.665 -7.354 -0.663 1.00 1.00 N ATOM 0 H ARG A 151 -0.622 -7.151 -1.550 1.00 1.00 H new ATOM 0 HA ARG A 151 -0.073 -5.894 1.029 1.00 1.00 H new ATOM 0 HB2 ARG A 151 -1.736 -7.624 1.829 1.00 1.00 H new ATOM 0 HB3 ARG A 151 -2.375 -6.488 0.658 1.00 1.00 H new ATOM 0 HG2 ARG A 151 -2.024 -8.148 -1.168 1.00 1.00 H new ATOM 0 HG3 ARG A 151 -1.334 -9.280 -0.022 1.00 1.00 H new ATOM 0 HD2 ARG A 151 -3.590 -9.993 -0.196 1.00 1.00 H new ATOM 0 HD3 ARG A 151 -3.583 -9.057 1.286 1.00 1.00 H new ATOM 0 HE ARG A 151 -4.199 -7.457 -1.119 1.00 1.00 H new ATOM 0 HH11 ARG A 151 -5.420 -9.158 1.730 1.00 1.00 H new ATOM 0 HH12 ARG A 151 -7.083 -8.605 1.502 1.00 1.00 H new ATOM 0 HH21 ARG A 151 -6.390 -6.883 -1.525 1.00 1.00 H new ATOM 0 HH22 ARG A 151 -7.634 -7.313 -0.346 1.00 1.00 H new ATOM 299 N GLU A 152 2.000 -7.680 0.540 1.00 1.00 N ATOM 300 CA GLU A 152 3.045 -8.648 0.830 1.00 1.00 C ATOM 301 C GLU A 152 3.660 -8.371 2.204 1.00 1.00 C ATOM 302 O GLU A 152 4.873 -8.463 2.375 1.00 1.00 O ATOM 303 CB GLU A 152 4.118 -8.639 -0.261 1.00 1.00 C ATOM 304 CG GLU A 152 4.781 -7.264 -0.368 1.00 1.00 C ATOM 305 CD GLU A 152 4.981 -6.864 -1.830 1.00 1.00 C ATOM 306 OE1 GLU A 152 4.010 -6.333 -2.411 1.00 1.00 O ATOM 307 OE2 GLU A 152 6.101 -7.096 -2.334 1.00 1.00 O ATOM 0 H GLU A 152 2.311 -6.859 0.020 1.00 1.00 H new ATOM 0 HA GLU A 152 2.597 -9.642 0.847 1.00 1.00 H new ATOM 0 HB2 GLU A 152 4.872 -9.394 -0.040 1.00 1.00 H new ATOM 0 HB3 GLU A 152 3.670 -8.906 -1.218 1.00 1.00 H new ATOM 0 HG2 GLU A 152 4.165 -6.519 0.135 1.00 1.00 H new ATOM 0 HG3 GLU A 152 5.744 -7.280 0.143 1.00 1.00 H new ATOM 314 N ASN A 153 2.791 -8.036 3.148 1.00 1.00 N ATOM 315 CA ASN A 153 3.234 -7.728 4.497 1.00 1.00 C ATOM 316 C ASN A 153 2.096 -8.010 5.479 1.00 1.00 C ATOM 317 O ASN A 153 2.322 -8.563 6.554 1.00 1.00 O ATOM 318 CB ASN A 153 3.617 -6.252 4.626 1.00 1.00 C ATOM 319 CG ASN A 153 4.423 -6.005 5.903 1.00 1.00 C ATOM 320 OD1 ASN A 153 3.968 -5.373 6.843 1.00 1.00 O ATOM 321 ND2 ASN A 153 5.641 -6.539 5.886 1.00 1.00 N ATOM 0 H ASN A 153 1.783 -7.971 3.005 1.00 1.00 H new ATOM 0 HA ASN A 153 4.104 -8.347 4.717 1.00 1.00 H new ATOM 0 HB2 ASN A 153 4.201 -5.947 3.758 1.00 1.00 H new ATOM 0 HB3 ASN A 153 2.716 -5.638 4.636 1.00 1.00 H new ATOM 0 HD21 ASN A 153 6.256 -6.431 6.692 1.00 1.00 H new ATOM 0 HD22 ASN A 153 5.960 -7.056 5.067 1.00 1.00 H new ATOM 328 N MET A 154 0.897 -7.617 5.075 1.00 1.00 N ATOM 329 CA MET A 154 -0.263 -7.745 5.941 1.00 1.00 C ATOM 330 C MET A 154 -1.470 -8.277 5.163 1.00 1.00 C ATOM 331 O MET A 154 -1.811 -7.752 4.105 1.00 1.00 O ATOM 332 CB MET A 154 -0.605 -6.381 6.543 1.00 1.00 C ATOM 333 CG MET A 154 0.460 -5.944 7.551 1.00 1.00 C ATOM 334 SD MET A 154 0.391 -6.984 9.001 1.00 1.00 S ATOM 335 CE MET A 154 2.031 -6.720 9.651 1.00 1.00 C ATOM 0 H MET A 154 0.704 -7.210 4.160 1.00 1.00 H new ATOM 0 HA MET A 154 -0.024 -8.452 6.735 1.00 1.00 H new ATOM 0 HB2 MET A 154 -0.685 -5.639 5.749 1.00 1.00 H new ATOM 0 HB3 MET A 154 -1.577 -6.429 7.034 1.00 1.00 H new ATOM 0 HG2 MET A 154 1.449 -6.004 7.097 1.00 1.00 H new ATOM 0 HG3 MET A 154 0.301 -4.903 7.832 1.00 1.00 H new ATOM 0 HE1 MET A 154 2.158 -7.301 10.565 1.00 1.00 H new ATOM 0 HE2 MET A 154 2.770 -7.036 8.914 1.00 1.00 H new ATOM 0 HE3 MET A 154 2.169 -5.662 9.872 1.00 1.00 H new ATOM 345 N TYR A 155 -2.083 -9.311 5.720 1.00 1.00 N ATOM 346 CA TYR A 155 -3.159 -10.003 5.032 1.00 1.00 C ATOM 347 C TYR A 155 -4.228 -9.016 4.555 1.00 1.00 C ATOM 348 O TYR A 155 -4.682 -9.184 3.404 1.00 1.00 O ATOM 349 CB TYR A 155 -3.778 -10.950 6.061 1.00 1.00 C ATOM 350 CG TYR A 155 -2.784 -11.932 6.680 1.00 1.00 C ATOM 351 CD1 TYR A 155 -2.337 -13.015 5.950 1.00 1.00 C ATOM 352 CD2 TYR A 155 -2.332 -11.737 7.970 1.00 1.00 C ATOM 353 CE1 TYR A 155 -1.401 -13.940 6.533 1.00 1.00 C ATOM 354 CE2 TYR A 155 -1.394 -12.662 8.553 1.00 1.00 C ATOM 355 CZ TYR A 155 -0.976 -13.718 7.806 1.00 1.00 C ATOM 356 OH TYR A 155 -0.091 -14.592 8.356 1.00 1.00 O ATOM 357 OXT TYR A 155 -4.565 -8.116 5.354 1.00 1.00 O ATOM 0 H TYR A 155 -1.855 -9.686 6.641 1.00 1.00 H new ATOM 0 HA TYR A 155 -2.779 -10.529 4.156 1.00 1.00 H new ATOM 0 HB2 TYR A 155 -4.232 -10.359 6.856 1.00 1.00 H new ATOM 0 HB3 TYR A 155 -4.580 -11.513 5.585 1.00 1.00 H new ATOM 0 HD1 TYR A 155 -2.690 -13.168 4.941 1.00 1.00 H new ATOM 0 HD2 TYR A 155 -2.682 -10.891 8.542 1.00 1.00 H new ATOM 0 HE1 TYR A 155 -1.044 -14.791 5.972 1.00 1.00 H new ATOM 0 HE2 TYR A 155 -1.031 -12.520 9.560 1.00 1.00 H new ATOM 0 HH TYR A 155 0.125 -14.308 9.269 1.00 1.00 H new