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 -144:sc= 1.12 USER MOD Single : A 140 HIS : +bothHN:sc= -1.53 K(o=-1.5,f=-11!) USER MOD Single : A 143 ASN : amide:sc= 0.743 K(o=0.74,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= 0.5 K(o=0.5,f=-0.13) 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 1.666 -2.710 2.711 1.00 1.00 N ATOM 2 CA SER A 135 1.521 -1.677 1.701 1.00 1.00 C ATOM 3 C SER A 135 2.868 -1.345 1.055 1.00 1.00 C ATOM 4 O SER A 135 3.888 -1.939 1.400 1.00 1.00 O ATOM 5 CB SER A 135 1.002 -0.439 2.436 1.00 1.00 C ATOM 6 OG SER A 135 0.551 0.569 1.534 1.00 1.00 O ATOM 0 HA SER A 135 0.848 -2.007 0.910 1.00 1.00 H new ATOM 0 HB2 SER A 135 0.184 -0.726 3.097 1.00 1.00 H new ATOM 0 HB3 SER A 135 1.793 -0.033 3.066 1.00 1.00 H new ATOM 0 HG SER A 135 0.769 1.453 1.896 1.00 1.00 H new ATOM 14 N ARG A 136 2.828 -0.396 0.131 1.00 1.00 N ATOM 15 CA ARG A 136 4.042 0.063 -0.522 1.00 1.00 C ATOM 16 C ARG A 136 4.058 1.592 -0.596 1.00 1.00 C ATOM 17 O ARG A 136 3.063 2.209 -0.973 1.00 1.00 O ATOM 18 CB ARG A 136 4.157 -0.510 -1.935 1.00 1.00 C ATOM 19 CG ARG A 136 5.523 -0.188 -2.548 1.00 1.00 C ATOM 20 CD ARG A 136 5.534 -0.484 -4.049 1.00 1.00 C ATOM 21 NE ARG A 136 5.523 -1.947 -4.275 1.00 1.00 N ATOM 22 CZ ARG A 136 5.597 -2.519 -5.485 1.00 1.00 C ATOM 23 NH1 ARG A 136 5.606 -1.758 -6.588 1.00 1.00 N ATOM 24 NH2 ARG A 136 5.662 -3.854 -5.592 1.00 1.00 N ATOM 0 H ARG A 136 1.974 0.067 -0.181 1.00 1.00 H new ATOM 0 HA ARG A 136 4.889 -0.285 0.069 1.00 1.00 H new ATOM 0 HB2 ARG A 136 4.013 -1.590 -1.906 1.00 1.00 H new ATOM 0 HB3 ARG A 136 3.367 -0.099 -2.563 1.00 1.00 H new ATOM 0 HG2 ARG A 136 5.763 0.862 -2.379 1.00 1.00 H new ATOM 0 HG3 ARG A 136 6.296 -0.776 -2.052 1.00 1.00 H new ATOM 0 HD2 ARG A 136 4.666 -0.027 -4.525 1.00 1.00 H new ATOM 0 HD3 ARG A 136 6.418 -0.043 -4.509 1.00 1.00 H new ATOM 0 HE ARG A 136 5.455 -2.557 -3.460 1.00 1.00 H new ATOM 0 HH11 ARG A 136 5.557 -0.742 -6.507 1.00 1.00 H new ATOM 0 HH12 ARG A 136 5.662 -2.194 -7.508 1.00 1.00 H new ATOM 0 HH21 ARG A 136 5.655 -4.434 -4.753 1.00 1.00 H new ATOM 0 HH22 ARG A 136 5.718 -4.290 -6.513 1.00 1.00 H new ATOM 38 N PRO A 137 5.228 2.173 -0.221 1.00 1.00 N ATOM 39 CA PRO A 137 5.428 3.607 -0.350 1.00 1.00 C ATOM 40 C PRO A 137 5.661 3.998 -1.811 1.00 1.00 C ATOM 41 O PRO A 137 6.434 3.350 -2.515 1.00 1.00 O ATOM 42 CB PRO A 137 6.614 3.921 0.547 1.00 1.00 C ATOM 43 CG PRO A 137 7.323 2.598 0.780 1.00 1.00 C ATOM 44 CD PRO A 137 6.390 1.484 0.335 1.00 1.00 C ATOM 0 HA PRO A 137 4.554 4.183 -0.047 1.00 1.00 H new ATOM 0 HB2 PRO A 137 7.280 4.643 0.075 1.00 1.00 H new ATOM 0 HB3 PRO A 137 6.285 4.359 1.489 1.00 1.00 H new ATOM 0 HG2 PRO A 137 8.256 2.561 0.218 1.00 1.00 H new ATOM 0 HG3 PRO A 137 7.580 2.483 1.833 1.00 1.00 H new ATOM 0 HD2 PRO A 137 6.864 0.844 -0.409 1.00 1.00 H new ATOM 0 HD3 PRO A 137 6.108 0.845 1.172 1.00 1.00 H new ATOM 52 N LEU A 138 4.980 5.058 -2.222 1.00 1.00 N ATOM 53 CA LEU A 138 4.855 5.363 -3.637 1.00 1.00 C ATOM 54 C LEU A 138 4.947 6.877 -3.837 1.00 1.00 C ATOM 55 O LEU A 138 4.374 7.418 -4.782 1.00 1.00 O ATOM 56 CB LEU A 138 3.579 4.744 -4.208 1.00 1.00 C ATOM 57 CG LEU A 138 3.601 3.228 -4.412 1.00 1.00 C ATOM 58 CD1 LEU A 138 2.195 2.690 -4.685 1.00 1.00 C ATOM 59 CD2 LEU A 138 4.588 2.837 -5.515 1.00 1.00 C ATOM 0 H LEU A 138 4.510 5.716 -1.600 1.00 1.00 H new ATOM 0 HA LEU A 138 5.676 4.916 -4.197 1.00 1.00 H new ATOM 0 HB2 LEU A 138 2.751 4.989 -3.543 1.00 1.00 H new ATOM 0 HB3 LEU A 138 3.368 5.217 -5.167 1.00 1.00 H new ATOM 0 HG LEU A 138 3.949 2.765 -3.489 1.00 1.00 H new ATOM 0 HD11 LEU A 138 2.240 1.610 -4.826 1.00 1.00 H new ATOM 0 HD12 LEU A 138 1.547 2.919 -3.839 1.00 1.00 H new ATOM 0 HD13 LEU A 138 1.795 3.157 -5.585 1.00 1.00 H new ATOM 0 HD21 LEU A 138 4.584 1.754 -5.640 1.00 1.00 H new ATOM 0 HD22 LEU A 138 4.294 3.311 -6.451 1.00 1.00 H new ATOM 0 HD23 LEU A 138 5.590 3.167 -5.240 1.00 1.00 H new ATOM 71 N ILE A 139 5.675 7.518 -2.934 1.00 1.00 N ATOM 72 CA ILE A 139 5.054 8.411 -1.971 1.00 1.00 C ATOM 73 C ILE A 139 3.610 8.690 -2.398 1.00 1.00 C ATOM 74 O ILE A 139 3.374 9.367 -3.396 1.00 1.00 O ATOM 75 CB ILE A 139 5.897 9.675 -1.793 1.00 1.00 C ATOM 76 CG1 ILE A 139 7.390 9.341 -1.775 1.00 1.00 C ATOM 77 CG2 ILE A 139 5.467 10.448 -0.544 1.00 1.00 C ATOM 78 CD1 ILE A 139 7.730 8.415 -0.605 1.00 1.00 C ATOM 0 H ILE A 139 6.688 7.437 -2.849 1.00 1.00 H new ATOM 0 HA ILE A 139 5.012 7.942 -0.988 1.00 1.00 H new ATOM 0 HB ILE A 139 5.724 10.325 -2.650 1.00 1.00 H new ATOM 0 HG12 ILE A 139 7.671 8.865 -2.714 1.00 1.00 H new ATOM 0 HG13 ILE A 139 7.971 10.260 -1.697 1.00 1.00 H new ATOM 0 HG21 ILE A 139 6.082 11.342 -0.440 1.00 1.00 H new ATOM 0 HG22 ILE A 139 4.420 10.736 -0.637 1.00 1.00 H new ATOM 0 HG23 ILE A 139 5.593 9.817 0.336 1.00 1.00 H new ATOM 0 HD11 ILE A 139 8.797 8.193 -0.615 1.00 1.00 H new ATOM 0 HD12 ILE A 139 7.470 8.904 0.334 1.00 1.00 H new ATOM 0 HD13 ILE A 139 7.165 7.487 -0.699 1.00 1.00 H new ATOM 90 N HIS A 140 2.683 8.153 -1.618 1.00 1.00 N ATOM 91 CA HIS A 140 1.271 8.296 -1.928 1.00 1.00 C ATOM 92 C HIS A 140 0.596 9.162 -0.862 1.00 1.00 C ATOM 93 O HIS A 140 -0.265 8.687 -0.125 1.00 1.00 O ATOM 94 CB HIS A 140 0.608 6.926 -2.085 1.00 1.00 C ATOM 95 CG HIS A 140 0.879 5.978 -0.941 1.00 1.00 C ATOM 96 ND1 HIS A 140 0.709 4.608 -1.047 1.00 1.00 N ATOM 97 CD2 HIS A 140 1.310 6.216 0.331 1.00 1.00 C ATOM 98 CE1 HIS A 140 1.026 4.057 0.116 1.00 1.00 C ATOM 99 NE2 HIS A 140 1.398 5.055 0.968 1.00 1.00 N ATOM 0 H HIS A 140 2.882 7.618 -0.772 1.00 1.00 H new ATOM 0 HA HIS A 140 1.155 8.804 -2.886 1.00 1.00 H new ATOM 0 HB2 HIS A 140 -0.469 7.064 -2.182 1.00 1.00 H new ATOM 0 HB3 HIS A 140 0.956 6.470 -3.012 1.00 1.00 H new ATOM 0 HD1 HIS A 140 0.394 4.108 -1.878 1.00 1.00 H new ATOM 0 HD2 HIS A 140 1.541 7.185 0.749 1.00 1.00 H new ATOM 0 HE1 HIS A 140 0.995 3.003 0.348 1.00 1.00 H new ATOM 0 HE2 HIS A 140 1.695 4.930 1.936 1.00 1.00 H new ATOM 108 N PHE A 141 1.015 10.418 -0.814 1.00 1.00 N ATOM 109 CA PHE A 141 0.289 11.421 -0.054 1.00 1.00 C ATOM 110 C PHE A 141 -1.220 11.174 -0.122 1.00 1.00 C ATOM 111 O PHE A 141 -1.786 11.061 -1.209 1.00 1.00 O ATOM 112 CB PHE A 141 0.600 12.777 -0.690 1.00 1.00 C ATOM 113 CG PHE A 141 1.891 13.422 -0.181 1.00 1.00 C ATOM 114 CD1 PHE A 141 2.874 12.646 0.349 1.00 1.00 C ATOM 115 CD2 PHE A 141 2.055 14.769 -0.259 1.00 1.00 C ATOM 116 CE1 PHE A 141 4.072 13.244 0.822 1.00 1.00 C ATOM 117 CE2 PHE A 141 3.253 15.367 0.214 1.00 1.00 C ATOM 118 CZ PHE A 141 4.237 14.592 0.744 1.00 1.00 C ATOM 0 H PHE A 141 1.848 10.764 -1.289 1.00 1.00 H new ATOM 0 HA PHE A 141 0.590 11.384 0.993 1.00 1.00 H new ATOM 0 HB2 PHE A 141 0.670 12.652 -1.771 1.00 1.00 H new ATOM 0 HB3 PHE A 141 -0.232 13.455 -0.500 1.00 1.00 H new ATOM 0 HD1 PHE A 141 2.744 11.576 0.410 1.00 1.00 H new ATOM 0 HD2 PHE A 141 1.274 15.385 -0.681 1.00 1.00 H new ATOM 0 HE1 PHE A 141 4.853 12.628 1.244 1.00 1.00 H new ATOM 0 HE2 PHE A 141 3.383 16.437 0.153 1.00 1.00 H new ATOM 0 HZ PHE A 141 5.149 15.046 1.103 1.00 1.00 H new ATOM 128 N GLY A 142 -1.828 11.095 1.052 1.00 1.00 N ATOM 129 CA GLY A 142 -1.121 10.626 2.231 1.00 1.00 C ATOM 130 C GLY A 142 -2.038 9.786 3.122 1.00 1.00 C ATOM 131 O GLY A 142 -2.295 10.145 4.269 1.00 1.00 O ATOM 0 H GLY A 142 -2.803 11.348 1.212 1.00 1.00 H new ATOM 0 HA2 GLY A 142 -0.258 10.033 1.930 1.00 1.00 H new ATOM 0 HA3 GLY A 142 -0.741 11.478 2.795 1.00 1.00 H new ATOM 135 N ASN A 143 -2.506 8.681 2.559 1.00 1.00 N ATOM 136 CA ASN A 143 -3.654 7.986 3.116 1.00 1.00 C ATOM 137 C ASN A 143 -3.459 6.477 2.955 1.00 1.00 C ATOM 138 O ASN A 143 -4.106 5.687 3.642 1.00 1.00 O ATOM 139 CB ASN A 143 -4.941 8.376 2.387 1.00 1.00 C ATOM 140 CG ASN A 143 -6.121 8.453 3.360 1.00 1.00 C ATOM 141 OD1 ASN A 143 -6.782 9.469 3.496 1.00 1.00 O ATOM 142 ND2 ASN A 143 -6.345 7.324 4.027 1.00 1.00 N ATOM 0 H ASN A 143 -2.111 8.250 1.723 1.00 1.00 H new ATOM 0 HA ASN A 143 -3.737 8.262 4.167 1.00 1.00 H new ATOM 0 HB2 ASN A 143 -4.807 9.340 1.895 1.00 1.00 H new ATOM 0 HB3 ASN A 143 -5.156 7.647 1.606 1.00 1.00 H new ATOM 0 HD21 ASN A 143 -7.109 7.273 4.701 1.00 1.00 H new ATOM 0 HD22 ASN A 143 -5.753 6.510 3.865 1.00 1.00 H new ATOM 149 N ASP A 144 -2.566 6.122 2.043 1.00 1.00 N ATOM 150 CA ASP A 144 -1.950 4.807 2.071 1.00 1.00 C ATOM 151 C ASP A 144 -3.037 3.737 1.955 1.00 1.00 C ATOM 152 O ASP A 144 -3.061 2.783 2.731 1.00 1.00 O ATOM 153 CB ASP A 144 -1.200 4.578 3.384 1.00 1.00 C ATOM 154 CG ASP A 144 0.094 3.771 3.257 1.00 1.00 C ATOM 155 OD1 ASP A 144 -0.013 2.580 2.893 1.00 1.00 O ATOM 156 OD2 ASP A 144 1.161 4.363 3.528 1.00 1.00 O ATOM 0 H ASP A 144 -2.254 6.723 1.280 1.00 1.00 H new ATOM 0 HA ASP A 144 -1.248 4.746 1.239 1.00 1.00 H new ATOM 0 HB2 ASP A 144 -0.965 5.547 3.824 1.00 1.00 H new ATOM 0 HB3 ASP A 144 -1.864 4.065 4.080 1.00 1.00 H new ATOM 161 N TYR A 145 -3.912 3.931 0.978 1.00 1.00 N ATOM 162 CA TYR A 145 -5.135 3.151 0.903 1.00 1.00 C ATOM 163 C TYR A 145 -5.009 2.034 -0.135 1.00 1.00 C ATOM 164 O TYR A 145 -5.892 1.184 -0.249 1.00 1.00 O ATOM 165 CB TYR A 145 -6.229 4.123 0.459 1.00 1.00 C ATOM 166 CG TYR A 145 -6.074 4.620 -0.980 1.00 1.00 C ATOM 167 CD1 TYR A 145 -5.264 5.704 -1.252 1.00 1.00 C ATOM 168 CD2 TYR A 145 -6.745 3.985 -2.006 1.00 1.00 C ATOM 169 CE1 TYR A 145 -5.118 6.171 -2.606 1.00 1.00 C ATOM 170 CE2 TYR A 145 -6.598 4.453 -3.360 1.00 1.00 C ATOM 171 CZ TYR A 145 -5.792 5.523 -3.593 1.00 1.00 C ATOM 172 OH TYR A 145 -5.653 5.964 -4.872 1.00 1.00 O ATOM 0 H TYR A 145 -3.797 4.617 0.232 1.00 1.00 H new ATOM 0 HA TYR A 145 -5.354 2.687 1.865 1.00 1.00 H new ATOM 0 HB2 TYR A 145 -7.198 3.635 0.561 1.00 1.00 H new ATOM 0 HB3 TYR A 145 -6.232 4.982 1.131 1.00 1.00 H new ATOM 0 HD1 TYR A 145 -4.740 6.202 -0.449 1.00 1.00 H new ATOM 0 HD2 TYR A 145 -7.380 3.138 -1.793 1.00 1.00 H new ATOM 0 HE1 TYR A 145 -4.487 7.018 -2.833 1.00 1.00 H new ATOM 0 HE2 TYR A 145 -7.116 3.965 -4.172 1.00 1.00 H new ATOM 0 HH TYR A 145 -6.191 5.405 -5.471 1.00 1.00 H new ATOM 182 N GLU A 146 -3.906 2.072 -0.867 1.00 1.00 N ATOM 183 CA GLU A 146 -3.660 1.083 -1.903 1.00 1.00 C ATOM 184 C GLU A 146 -3.075 -0.192 -1.292 1.00 1.00 C ATOM 185 O GLU A 146 -2.669 -1.101 -2.014 1.00 1.00 O ATOM 186 CB GLU A 146 -2.739 1.642 -2.989 1.00 1.00 C ATOM 187 CG GLU A 146 -3.012 3.129 -3.226 1.00 1.00 C ATOM 188 CD GLU A 146 -1.977 3.998 -2.510 1.00 1.00 C ATOM 189 OE1 GLU A 146 -0.901 4.210 -3.111 1.00 1.00 O ATOM 190 OE2 GLU A 146 -2.283 4.432 -1.379 1.00 1.00 O ATOM 0 H GLU A 146 -3.172 2.773 -0.763 1.00 1.00 H new ATOM 0 HA GLU A 146 -4.612 0.835 -2.373 1.00 1.00 H new ATOM 0 HB2 GLU A 146 -1.698 1.502 -2.696 1.00 1.00 H new ATOM 0 HB3 GLU A 146 -2.887 1.089 -3.917 1.00 1.00 H new ATOM 0 HG2 GLU A 146 -2.992 3.340 -4.295 1.00 1.00 H new ATOM 0 HG3 GLU A 146 -4.011 3.380 -2.870 1.00 1.00 H new ATOM 197 N ASP A 147 -3.051 -0.218 0.033 1.00 1.00 N ATOM 198 CA ASP A 147 -2.308 -1.242 0.747 1.00 1.00 C ATOM 199 C ASP A 147 -2.726 -2.621 0.235 1.00 1.00 C ATOM 200 O ASP A 147 -1.887 -3.502 0.054 1.00 1.00 O ATOM 201 CB ASP A 147 -2.601 -1.188 2.249 1.00 1.00 C ATOM 202 CG ASP A 147 -2.229 -2.451 3.026 1.00 1.00 C ATOM 203 OD1 ASP A 147 -1.017 -2.756 3.067 1.00 1.00 O ATOM 204 OD2 ASP A 147 -3.164 -3.084 3.562 1.00 1.00 O ATOM 0 H ASP A 147 -3.534 0.453 0.630 1.00 1.00 H new ATOM 0 HA ASP A 147 -1.246 -1.066 0.579 1.00 1.00 H new ATOM 0 HB2 ASP A 147 -2.062 -0.343 2.679 1.00 1.00 H new ATOM 0 HB3 ASP A 147 -3.664 -0.993 2.390 1.00 1.00 H new ATOM 209 N ARG A 148 -4.025 -2.767 0.013 1.00 1.00 N ATOM 210 CA ARG A 148 -4.604 -4.081 -0.210 1.00 1.00 C ATOM 211 C ARG A 148 -4.146 -4.640 -1.559 1.00 1.00 C ATOM 212 O ARG A 148 -4.312 -5.827 -1.831 1.00 1.00 O ATOM 213 CB ARG A 148 -6.133 -4.021 -0.182 1.00 1.00 C ATOM 214 CG ARG A 148 -6.641 -3.631 1.207 1.00 1.00 C ATOM 215 CD ARG A 148 -6.543 -4.811 2.177 1.00 1.00 C ATOM 216 NE ARG A 148 -5.255 -4.763 2.905 1.00 1.00 N ATOM 217 CZ ARG A 148 -4.676 -5.826 3.480 1.00 1.00 C ATOM 218 NH1 ARG A 148 -5.268 -7.027 3.416 1.00 1.00 N ATOM 219 NH2 ARG A 148 -3.506 -5.689 4.118 1.00 1.00 N ATOM 0 H ARG A 148 -4.693 -1.996 -0.017 1.00 1.00 H new ATOM 0 HA ARG A 148 -4.263 -4.735 0.593 1.00 1.00 H new ATOM 0 HB2 ARG A 148 -6.486 -3.299 -0.918 1.00 1.00 H new ATOM 0 HB3 ARG A 148 -6.544 -4.990 -0.464 1.00 1.00 H new ATOM 0 HG2 ARG A 148 -6.059 -2.792 1.589 1.00 1.00 H new ATOM 0 HG3 ARG A 148 -7.676 -3.296 1.139 1.00 1.00 H new ATOM 0 HD2 ARG A 148 -7.371 -4.780 2.885 1.00 1.00 H new ATOM 0 HD3 ARG A 148 -6.626 -5.750 1.630 1.00 1.00 H new ATOM 0 HE ARG A 148 -4.778 -3.864 2.973 1.00 1.00 H new ATOM 0 HH11 ARG A 148 -6.159 -7.131 2.930 1.00 1.00 H new ATOM 0 HH12 ARG A 148 -4.828 -7.837 3.853 1.00 1.00 H new ATOM 0 HH21 ARG A 148 -3.055 -4.775 4.166 1.00 1.00 H new ATOM 0 HH22 ARG A 148 -3.066 -6.498 4.555 1.00 1.00 H new ATOM 233 N TYR A 149 -3.580 -3.756 -2.368 1.00 1.00 N ATOM 234 CA TYR A 149 -3.099 -4.146 -3.682 1.00 1.00 C ATOM 235 C TYR A 149 -1.570 -4.184 -3.717 1.00 1.00 C ATOM 236 O TYR A 149 -0.980 -4.697 -4.667 1.00 1.00 O ATOM 237 CB TYR A 149 -3.593 -3.068 -4.649 1.00 1.00 C ATOM 238 CG TYR A 149 -5.093 -2.784 -4.550 1.00 1.00 C ATOM 239 CD1 TYR A 149 -5.996 -3.609 -5.190 1.00 1.00 C ATOM 240 CD2 TYR A 149 -5.544 -1.702 -3.819 1.00 1.00 C ATOM 241 CE1 TYR A 149 -7.408 -3.341 -5.097 1.00 1.00 C ATOM 242 CE2 TYR A 149 -6.956 -1.435 -3.726 1.00 1.00 C ATOM 243 CZ TYR A 149 -7.818 -2.267 -4.370 1.00 1.00 C ATOM 244 OH TYR A 149 -9.152 -2.014 -4.281 1.00 1.00 O ATOM 0 H TYR A 149 -3.444 -2.771 -2.139 1.00 1.00 H new ATOM 0 HA TYR A 149 -3.461 -5.140 -3.944 1.00 1.00 H new ATOM 0 HB2 TYR A 149 -3.045 -2.145 -4.459 1.00 1.00 H new ATOM 0 HB3 TYR A 149 -3.358 -3.374 -5.669 1.00 1.00 H new ATOM 0 HD1 TYR A 149 -5.644 -4.456 -5.761 1.00 1.00 H new ATOM 0 HD2 TYR A 149 -4.838 -1.057 -3.318 1.00 1.00 H new ATOM 0 HE1 TYR A 149 -8.125 -3.978 -5.593 1.00 1.00 H new ATOM 0 HE2 TYR A 149 -7.322 -0.593 -3.158 1.00 1.00 H new ATOM 0 HH TYR A 149 -9.298 -1.217 -3.730 1.00 1.00 H new ATOM 254 N TYR A 150 -0.972 -3.634 -2.672 1.00 1.00 N ATOM 255 CA TYR A 150 0.475 -3.651 -2.541 1.00 1.00 C ATOM 256 C TYR A 150 0.897 -4.195 -1.175 1.00 1.00 C ATOM 257 O TYR A 150 1.812 -3.666 -0.548 1.00 1.00 O ATOM 258 CB TYR A 150 0.926 -2.193 -2.658 1.00 1.00 C ATOM 259 CG TYR A 150 0.795 -1.612 -4.066 1.00 1.00 C ATOM 260 CD1 TYR A 150 -0.404 -1.066 -4.479 1.00 1.00 C ATOM 261 CD2 TYR A 150 1.875 -1.630 -4.925 1.00 1.00 C ATOM 262 CE1 TYR A 150 -0.528 -0.519 -5.805 1.00 1.00 C ATOM 263 CE2 TYR A 150 1.751 -1.083 -6.251 1.00 1.00 C ATOM 264 CZ TYR A 150 0.556 -0.554 -6.626 1.00 1.00 C ATOM 265 OH TYR A 150 0.439 -0.038 -7.878 1.00 1.00 O ATOM 0 H TYR A 150 -1.464 -3.173 -1.906 1.00 1.00 H new ATOM 0 HA TYR A 150 0.921 -4.290 -3.303 1.00 1.00 H new ATOM 0 HB2 TYR A 150 0.339 -1.586 -1.969 1.00 1.00 H new ATOM 0 HB3 TYR A 150 1.966 -2.119 -2.341 1.00 1.00 H new ATOM 0 HD1 TYR A 150 -1.249 -1.049 -3.807 1.00 1.00 H new ATOM 0 HD2 TYR A 150 2.814 -2.055 -4.602 1.00 1.00 H new ATOM 0 HE1 TYR A 150 -1.461 -0.090 -6.140 1.00 1.00 H new ATOM 0 HE2 TYR A 150 2.589 -1.093 -6.933 1.00 1.00 H new ATOM 0 HH TYR A 150 1.292 -0.131 -8.351 1.00 1.00 H new ATOM 275 N ARG A 151 0.209 -5.247 -0.755 1.00 1.00 N ATOM 276 CA ARG A 151 0.469 -5.840 0.545 1.00 1.00 C ATOM 277 C ARG A 151 1.485 -6.977 0.417 1.00 1.00 C ATOM 278 O ARG A 151 1.244 -8.086 0.891 1.00 1.00 O ATOM 279 CB ARG A 151 -0.818 -6.383 1.170 1.00 1.00 C ATOM 280 CG ARG A 151 -1.602 -7.227 0.162 1.00 1.00 C ATOM 281 CD ARG A 151 -2.789 -7.921 0.836 1.00 1.00 C ATOM 282 NE ARG A 151 -3.897 -8.080 -0.133 1.00 1.00 N ATOM 283 CZ ARG A 151 -4.794 -9.075 -0.091 1.00 1.00 C ATOM 284 NH1 ARG A 151 -4.808 -9.920 0.948 1.00 1.00 N ATOM 285 NH2 ARG A 151 -5.674 -9.226 -1.089 1.00 1.00 N ATOM 0 H ARG A 151 -0.528 -5.703 -1.292 1.00 1.00 H new ATOM 0 HA ARG A 151 0.872 -5.060 1.190 1.00 1.00 H new ATOM 0 HB2 ARG A 151 -0.576 -6.986 2.045 1.00 1.00 H new ATOM 0 HB3 ARG A 151 -1.437 -5.555 1.516 1.00 1.00 H new ATOM 0 HG2 ARG A 151 -1.959 -6.593 -0.649 1.00 1.00 H new ATOM 0 HG3 ARG A 151 -0.944 -7.973 -0.283 1.00 1.00 H new ATOM 0 HD2 ARG A 151 -2.484 -8.896 1.215 1.00 1.00 H new ATOM 0 HD3 ARG A 151 -3.125 -7.336 1.693 1.00 1.00 H new ATOM 0 HE ARG A 151 -3.983 -7.390 -0.879 1.00 1.00 H new ATOM 0 HH11 ARG A 151 -4.136 -9.806 1.707 1.00 1.00 H new ATOM 0 HH12 ARG A 151 -5.491 -10.677 0.980 1.00 1.00 H new ATOM 0 HH21 ARG A 151 -5.662 -8.584 -1.881 1.00 1.00 H new ATOM 0 HH22 ARG A 151 -6.357 -9.983 -1.057 1.00 1.00 H new ATOM 299 N GLU A 152 2.599 -6.662 -0.228 1.00 1.00 N ATOM 300 CA GLU A 152 3.659 -7.639 -0.410 1.00 1.00 C ATOM 301 C GLU A 152 4.459 -7.801 0.884 1.00 1.00 C ATOM 302 O GLU A 152 5.665 -8.041 0.847 1.00 1.00 O ATOM 303 CB GLU A 152 4.572 -7.245 -1.573 1.00 1.00 C ATOM 304 CG GLU A 152 5.311 -5.939 -1.273 1.00 1.00 C ATOM 305 CD GLU A 152 5.431 -5.075 -2.530 1.00 1.00 C ATOM 306 OE1 GLU A 152 5.898 -5.623 -3.553 1.00 1.00 O ATOM 307 OE2 GLU A 152 5.053 -3.888 -2.441 1.00 1.00 O ATOM 0 H GLU A 152 2.790 -5.745 -0.631 1.00 1.00 H new ATOM 0 HA GLU A 152 3.205 -8.599 -0.656 1.00 1.00 H new ATOM 0 HB2 GLU A 152 5.293 -8.041 -1.759 1.00 1.00 H new ATOM 0 HB3 GLU A 152 3.981 -7.132 -2.482 1.00 1.00 H new ATOM 0 HG2 GLU A 152 4.780 -5.387 -0.497 1.00 1.00 H new ATOM 0 HG3 GLU A 152 6.305 -6.161 -0.884 1.00 1.00 H new ATOM 314 N ASN A 153 3.756 -7.665 1.998 1.00 1.00 N ATOM 315 CA ASN A 153 4.405 -7.652 3.298 1.00 1.00 C ATOM 316 C ASN A 153 3.344 -7.743 4.396 1.00 1.00 C ATOM 317 O ASN A 153 3.632 -7.495 5.565 1.00 1.00 O ATOM 318 CB ASN A 153 5.192 -6.356 3.507 1.00 1.00 C ATOM 319 CG ASN A 153 4.435 -5.157 2.933 1.00 1.00 C ATOM 320 OD1 ASN A 153 3.295 -4.890 3.272 1.00 1.00 O ATOM 321 ND2 ASN A 153 5.132 -4.451 2.047 1.00 1.00 N ATOM 0 H ASN A 153 2.742 -7.563 2.027 1.00 1.00 H new ATOM 0 HA ASN A 153 5.088 -8.501 3.342 1.00 1.00 H new ATOM 0 HB2 ASN A 153 5.371 -6.202 4.571 1.00 1.00 H new ATOM 0 HB3 ASN A 153 6.168 -6.438 3.028 1.00 1.00 H new ATOM 0 HD21 ASN A 153 4.715 -3.631 1.607 1.00 1.00 H new ATOM 0 HD22 ASN A 153 6.084 -4.730 1.808 1.00 1.00 H new ATOM 328 N MET A 154 2.137 -8.099 3.980 1.00 1.00 N ATOM 329 CA MET A 154 1.001 -8.091 4.885 1.00 1.00 C ATOM 330 C MET A 154 -0.122 -8.991 4.364 1.00 1.00 C ATOM 331 O MET A 154 -0.315 -9.113 3.155 1.00 1.00 O ATOM 332 CB MET A 154 0.480 -6.660 5.036 1.00 1.00 C ATOM 333 CG MET A 154 -0.447 -6.539 6.248 1.00 1.00 C ATOM 334 SD MET A 154 -0.997 -4.851 6.430 1.00 1.00 S ATOM 335 CE MET A 154 -2.340 -5.086 7.583 1.00 1.00 C ATOM 0 H MET A 154 1.922 -8.395 3.028 1.00 1.00 H new ATOM 0 HA MET A 154 1.328 -8.473 5.852 1.00 1.00 H new ATOM 0 HB2 MET A 154 1.319 -5.973 5.146 1.00 1.00 H new ATOM 0 HB3 MET A 154 -0.056 -6.367 4.133 1.00 1.00 H new ATOM 0 HG2 MET A 154 -1.306 -7.199 6.126 1.00 1.00 H new ATOM 0 HG3 MET A 154 0.076 -6.859 7.149 1.00 1.00 H new ATOM 0 HE1 MET A 154 -2.799 -4.123 7.808 1.00 1.00 H new ATOM 0 HE2 MET A 154 -3.085 -5.750 7.144 1.00 1.00 H new ATOM 0 HE3 MET A 154 -1.957 -5.529 8.502 1.00 1.00 H new ATOM 345 N TYR A 155 -0.834 -9.598 5.302 1.00 1.00 N ATOM 346 CA TYR A 155 -2.077 -10.275 4.978 1.00 1.00 C ATOM 347 C TYR A 155 -3.108 -9.291 4.420 1.00 1.00 C ATOM 348 O TYR A 155 -3.249 -8.210 5.030 1.00 1.00 O ATOM 349 CB TYR A 155 -2.601 -10.850 6.296 1.00 1.00 C ATOM 350 CG TYR A 155 -1.608 -11.768 7.012 1.00 1.00 C ATOM 351 CD1 TYR A 155 -1.224 -12.959 6.429 1.00 1.00 C ATOM 352 CD2 TYR A 155 -1.097 -11.406 8.242 1.00 1.00 C ATOM 353 CE1 TYR A 155 -0.290 -13.823 7.103 1.00 1.00 C ATOM 354 CE2 TYR A 155 -0.163 -12.269 8.916 1.00 1.00 C ATOM 355 CZ TYR A 155 0.194 -13.435 8.313 1.00 1.00 C ATOM 356 OH TYR A 155 1.077 -14.251 8.950 1.00 1.00 O ATOM 357 OXT TYR A 155 -3.731 -9.643 3.394 1.00 1.00 O ATOM 0 H TYR A 155 -0.573 -9.635 6.287 1.00 1.00 H new ATOM 0 HA TYR A 155 -1.909 -11.044 4.224 1.00 1.00 H new ATOM 0 HB2 TYR A 155 -2.864 -10.027 6.961 1.00 1.00 H new ATOM 0 HB3 TYR A 155 -3.518 -11.406 6.099 1.00 1.00 H new ATOM 0 HD1 TYR A 155 -1.624 -13.243 5.467 1.00 1.00 H new ATOM 0 HD2 TYR A 155 -1.398 -10.475 8.699 1.00 1.00 H new ATOM 0 HE1 TYR A 155 0.019 -14.757 6.658 1.00 1.00 H new ATOM 0 HE2 TYR A 155 0.245 -11.997 9.878 1.00 1.00 H new ATOM 0 HH TYR A 155 1.339 -13.847 9.803 1.00 1.00 H new TER 367 TYR A 155