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 36:sc= 0.303 USER MOD Single : A 140 HIS : no HE2:sc= -1.86! C(o=-0.6!,f=-8.6!) USER MOD Single : A 143 ASN : amide:sc= 0.63 K(o=0.63,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= 0.715 K(o=0.71,f=-6.5!) 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 -1.354 1.434 3.956 1.00 1.00 N ATOM 2 CA SER A 135 -0.374 1.417 5.028 1.00 1.00 C ATOM 3 C SER A 135 1.005 1.008 4.504 1.00 1.00 C ATOM 4 O SER A 135 1.683 0.182 5.112 1.00 1.00 O ATOM 5 CB SER A 135 -0.859 0.366 6.029 1.00 1.00 C ATOM 6 OG SER A 135 -2.231 0.546 6.368 1.00 1.00 O ATOM 0 HA SER A 135 -0.279 2.406 5.475 1.00 1.00 H new ATOM 0 HB2 SER A 135 -0.717 -0.629 5.607 1.00 1.00 H new ATOM 0 HB3 SER A 135 -0.252 0.419 6.933 1.00 1.00 H new ATOM 0 HG SER A 135 -2.726 0.849 5.578 1.00 1.00 H new ATOM 14 N ARG A 136 1.376 1.604 3.382 1.00 1.00 N ATOM 15 CA ARG A 136 2.573 1.184 2.671 1.00 1.00 C ATOM 16 C ARG A 136 2.997 2.256 1.666 1.00 1.00 C ATOM 17 O ARG A 136 2.274 2.541 0.713 1.00 1.00 O ATOM 18 CB ARG A 136 2.338 -0.135 1.931 1.00 1.00 C ATOM 19 CG ARG A 136 3.157 -1.266 2.556 1.00 1.00 C ATOM 20 CD ARG A 136 2.690 -2.630 2.041 1.00 1.00 C ATOM 21 NE ARG A 136 1.386 -2.979 2.645 1.00 1.00 N ATOM 22 CZ ARG A 136 0.999 -4.232 2.925 1.00 1.00 C ATOM 23 NH1 ARG A 136 1.802 -5.263 2.629 1.00 1.00 N ATOM 24 NH2 ARG A 136 -0.191 -4.452 3.500 1.00 1.00 N ATOM 0 H ARG A 136 0.870 2.375 2.946 1.00 1.00 H new ATOM 0 HA ARG A 136 3.363 1.039 3.407 1.00 1.00 H new ATOM 0 HB2 ARG A 136 1.278 -0.389 1.960 1.00 1.00 H new ATOM 0 HB3 ARG A 136 2.610 -0.021 0.882 1.00 1.00 H new ATOM 0 HG2 ARG A 136 4.213 -1.127 2.323 1.00 1.00 H new ATOM 0 HG3 ARG A 136 3.063 -1.231 3.641 1.00 1.00 H new ATOM 0 HD2 ARG A 136 2.603 -2.607 0.955 1.00 1.00 H new ATOM 0 HD3 ARG A 136 3.429 -3.393 2.285 1.00 1.00 H new ATOM 0 HE ARG A 136 0.741 -2.219 2.862 1.00 1.00 H new ATOM 0 HH11 ARG A 136 2.708 -5.095 2.191 1.00 1.00 H new ATOM 0 HH12 ARG A 136 1.508 -6.216 2.842 1.00 1.00 H new ATOM 0 HH21 ARG A 136 -0.802 -3.667 3.724 1.00 1.00 H new ATOM 0 HH22 ARG A 136 -0.486 -5.405 3.713 1.00 1.00 H new ATOM 38 N PRO A 137 4.201 2.837 1.920 1.00 1.00 N ATOM 39 CA PRO A 137 4.732 3.870 1.046 1.00 1.00 C ATOM 40 C PRO A 137 5.260 3.267 -0.258 1.00 1.00 C ATOM 41 O PRO A 137 5.674 2.110 -0.287 1.00 1.00 O ATOM 42 CB PRO A 137 5.814 4.556 1.863 1.00 1.00 C ATOM 43 CG PRO A 137 6.168 3.592 2.983 1.00 1.00 C ATOM 44 CD PRO A 137 5.084 2.528 3.040 1.00 1.00 C ATOM 0 HA PRO A 137 3.973 4.586 0.731 1.00 1.00 H new ATOM 0 HB2 PRO A 137 6.686 4.777 1.248 1.00 1.00 H new ATOM 0 HB3 PRO A 137 5.458 5.505 2.263 1.00 1.00 H new ATOM 0 HG2 PRO A 137 7.141 3.136 2.801 1.00 1.00 H new ATOM 0 HG3 PRO A 137 6.236 4.120 3.934 1.00 1.00 H new ATOM 0 HD2 PRO A 137 5.506 1.527 2.947 1.00 1.00 H new ATOM 0 HD3 PRO A 137 4.547 2.560 3.988 1.00 1.00 H new ATOM 52 N LEU A 138 5.226 4.079 -1.303 1.00 1.00 N ATOM 53 CA LEU A 138 5.535 3.595 -2.638 1.00 1.00 C ATOM 54 C LEU A 138 5.971 4.771 -3.515 1.00 1.00 C ATOM 55 O LEU A 138 5.707 4.785 -4.715 1.00 1.00 O ATOM 56 CB LEU A 138 4.354 2.807 -3.208 1.00 1.00 C ATOM 57 CG LEU A 138 4.688 1.806 -4.316 1.00 1.00 C ATOM 58 CD1 LEU A 138 5.398 0.576 -3.748 1.00 1.00 C ATOM 59 CD2 LEU A 138 3.436 1.429 -5.111 1.00 1.00 C ATOM 0 H LEU A 138 4.989 5.070 -1.253 1.00 1.00 H new ATOM 0 HA LEU A 138 6.370 2.895 -2.606 1.00 1.00 H new ATOM 0 HB2 LEU A 138 3.874 2.268 -2.391 1.00 1.00 H new ATOM 0 HB3 LEU A 138 3.622 3.516 -3.595 1.00 1.00 H new ATOM 0 HG LEU A 138 5.378 2.284 -5.011 1.00 1.00 H new ATOM 0 HD11 LEU A 138 5.624 -0.119 -4.556 1.00 1.00 H new ATOM 0 HD12 LEU A 138 6.325 0.882 -3.263 1.00 1.00 H new ATOM 0 HD13 LEU A 138 4.752 0.087 -3.019 1.00 1.00 H new ATOM 0 HD21 LEU A 138 3.702 0.717 -5.892 1.00 1.00 H new ATOM 0 HD22 LEU A 138 2.703 0.978 -4.443 1.00 1.00 H new ATOM 0 HD23 LEU A 138 3.011 2.324 -5.566 1.00 1.00 H new ATOM 71 N ILE A 139 6.633 5.727 -2.880 1.00 1.00 N ATOM 72 CA ILE A 139 5.967 6.952 -2.472 1.00 1.00 C ATOM 73 C ILE A 139 4.722 7.163 -3.336 1.00 1.00 C ATOM 74 O ILE A 139 4.827 7.358 -4.546 1.00 1.00 O ATOM 75 CB ILE A 139 6.945 8.129 -2.505 1.00 1.00 C ATOM 76 CG1 ILE A 139 8.315 7.719 -1.961 1.00 1.00 C ATOM 77 CG2 ILE A 139 6.372 9.339 -1.764 1.00 1.00 C ATOM 78 CD1 ILE A 139 8.213 7.266 -0.503 1.00 1.00 C ATOM 0 H ILE A 139 7.623 5.678 -2.638 1.00 1.00 H new ATOM 0 HA ILE A 139 5.629 6.876 -1.439 1.00 1.00 H new ATOM 0 HB ILE A 139 7.087 8.426 -3.544 1.00 1.00 H new ATOM 0 HG12 ILE A 139 8.725 6.912 -2.568 1.00 1.00 H new ATOM 0 HG13 ILE A 139 9.007 8.558 -2.037 1.00 1.00 H new ATOM 0 HG21 ILE A 139 7.087 10.161 -1.802 1.00 1.00 H new ATOM 0 HG22 ILE A 139 5.439 9.647 -2.236 1.00 1.00 H new ATOM 0 HG23 ILE A 139 6.181 9.072 -0.724 1.00 1.00 H new ATOM 0 HD11 ILE A 139 9.201 6.980 -0.141 1.00 1.00 H new ATOM 0 HD12 ILE A 139 7.826 8.083 0.106 1.00 1.00 H new ATOM 0 HD13 ILE A 139 7.540 6.412 -0.434 1.00 1.00 H new ATOM 90 N HIS A 140 3.572 7.116 -2.680 1.00 1.00 N ATOM 91 CA HIS A 140 2.313 7.368 -3.359 1.00 1.00 C ATOM 92 C HIS A 140 1.436 8.278 -2.497 1.00 1.00 C ATOM 93 O HIS A 140 0.530 7.806 -1.811 1.00 1.00 O ATOM 94 CB HIS A 140 1.621 6.054 -3.727 1.00 1.00 C ATOM 95 CG HIS A 140 1.036 5.317 -2.546 1.00 1.00 C ATOM 96 ND1 HIS A 140 -0.323 5.103 -2.394 1.00 1.00 N ATOM 97 CD2 HIS A 140 1.639 4.746 -1.463 1.00 1.00 C ATOM 98 CE1 HIS A 140 -0.518 4.434 -1.267 1.00 1.00 C ATOM 99 NE2 HIS A 140 0.699 4.214 -0.692 1.00 1.00 N ATOM 0 H HIS A 140 3.486 6.907 -1.685 1.00 1.00 H new ATOM 0 HA HIS A 140 2.502 7.888 -4.298 1.00 1.00 H new ATOM 0 HB2 HIS A 140 0.826 6.262 -4.443 1.00 1.00 H new ATOM 0 HB3 HIS A 140 2.339 5.405 -4.228 1.00 1.00 H new ATOM 0 HD1 HIS A 140 -1.051 5.408 -3.040 1.00 1.00 H new ATOM 0 HD2 HIS A 140 2.701 4.730 -1.267 1.00 1.00 H new ATOM 0 HE1 HIS A 140 -1.473 4.118 -0.873 1.00 1.00 H new ATOM 108 N PHE A 141 1.737 9.567 -2.557 1.00 1.00 N ATOM 109 CA PHE A 141 0.940 10.556 -1.851 1.00 1.00 C ATOM 110 C PHE A 141 -0.555 10.275 -2.017 1.00 1.00 C ATOM 111 O PHE A 141 -1.011 9.945 -3.111 1.00 1.00 O ATOM 112 CB PHE A 141 1.263 11.917 -2.472 1.00 1.00 C ATOM 113 CG PHE A 141 2.437 12.640 -1.810 1.00 1.00 C ATOM 114 CD1 PHE A 141 3.562 11.951 -1.481 1.00 1.00 C ATOM 115 CD2 PHE A 141 2.355 13.972 -1.549 1.00 1.00 C ATOM 116 CE1 PHE A 141 4.652 12.623 -0.866 1.00 1.00 C ATOM 117 CE2 PHE A 141 3.444 14.644 -0.934 1.00 1.00 C ATOM 118 CZ PHE A 141 4.570 13.955 -0.605 1.00 1.00 C ATOM 0 H PHE A 141 2.522 9.949 -3.084 1.00 1.00 H new ATOM 0 HA PHE A 141 1.172 10.529 -0.786 1.00 1.00 H new ATOM 0 HB2 PHE A 141 1.485 11.779 -3.530 1.00 1.00 H new ATOM 0 HB3 PHE A 141 0.379 12.551 -2.412 1.00 1.00 H new ATOM 0 HD1 PHE A 141 3.627 10.893 -1.687 1.00 1.00 H new ATOM 0 HD2 PHE A 141 1.461 14.519 -1.810 1.00 1.00 H new ATOM 0 HE1 PHE A 141 5.546 12.076 -0.606 1.00 1.00 H new ATOM 0 HE2 PHE A 141 3.379 15.702 -0.727 1.00 1.00 H new ATOM 0 HZ PHE A 141 5.398 14.466 -0.137 1.00 1.00 H new ATOM 128 N GLY A 142 -1.277 10.415 -0.915 1.00 1.00 N ATOM 129 CA GLY A 142 -0.655 10.373 0.397 1.00 1.00 C ATOM 130 C GLY A 142 -1.694 10.108 1.489 1.00 1.00 C ATOM 131 O GLY A 142 -1.837 10.899 2.420 1.00 1.00 O ATOM 0 H GLY A 142 -2.287 10.558 -0.904 1.00 1.00 H new ATOM 0 HA2 GLY A 142 0.106 9.593 0.418 1.00 1.00 H new ATOM 0 HA3 GLY A 142 -0.149 11.318 0.594 1.00 1.00 H new ATOM 135 N ASN A 143 -2.393 8.993 1.338 1.00 1.00 N ATOM 136 CA ASN A 143 -3.554 8.719 2.167 1.00 1.00 C ATOM 137 C ASN A 143 -3.717 7.206 2.325 1.00 1.00 C ATOM 138 O ASN A 143 -4.342 6.741 3.276 1.00 1.00 O ATOM 139 CB ASN A 143 -4.830 9.267 1.526 1.00 1.00 C ATOM 140 CG ASN A 143 -5.783 9.820 2.588 1.00 1.00 C ATOM 141 OD1 ASN A 143 -6.202 10.965 2.548 1.00 1.00 O ATOM 142 ND2 ASN A 143 -6.100 8.945 3.539 1.00 1.00 N ATOM 0 H ASN A 143 -2.177 8.268 0.653 1.00 1.00 H new ATOM 0 HA ASN A 143 -3.400 9.200 3.133 1.00 1.00 H new ATOM 0 HB2 ASN A 143 -4.576 10.054 0.816 1.00 1.00 H new ATOM 0 HB3 ASN A 143 -5.327 8.477 0.963 1.00 1.00 H new ATOM 0 HD21 ASN A 143 -6.729 9.218 4.294 1.00 1.00 H new ATOM 0 HD22 ASN A 143 -5.714 8.001 3.513 1.00 1.00 H new ATOM 149 N ASP A 144 -3.142 6.478 1.378 1.00 1.00 N ATOM 150 CA ASP A 144 -2.527 5.198 1.686 1.00 1.00 C ATOM 151 C ASP A 144 -3.618 4.187 2.046 1.00 1.00 C ATOM 152 O ASP A 144 -3.494 3.462 3.032 1.00 1.00 O ATOM 153 CB ASP A 144 -1.578 5.317 2.880 1.00 1.00 C ATOM 154 CG ASP A 144 -0.552 4.189 3.005 1.00 1.00 C ATOM 155 OD1 ASP A 144 -0.426 3.426 2.023 1.00 1.00 O ATOM 156 OD2 ASP A 144 0.084 4.117 4.078 1.00 1.00 O ATOM 0 H ASP A 144 -3.089 6.751 0.397 1.00 1.00 H new ATOM 0 HA ASP A 144 -1.965 4.873 0.810 1.00 1.00 H new ATOM 0 HB2 ASP A 144 -1.046 6.266 2.809 1.00 1.00 H new ATOM 0 HB3 ASP A 144 -2.171 5.352 3.794 1.00 1.00 H new ATOM 161 N TYR A 145 -4.659 4.172 1.228 1.00 1.00 N ATOM 162 CA TYR A 145 -5.707 3.176 1.370 1.00 1.00 C ATOM 163 C TYR A 145 -5.675 2.178 0.211 1.00 1.00 C ATOM 164 O TYR A 145 -6.418 1.197 0.210 1.00 1.00 O ATOM 165 CB TYR A 145 -7.029 3.944 1.329 1.00 1.00 C ATOM 166 CG TYR A 145 -7.207 4.809 0.080 1.00 1.00 C ATOM 167 CD1 TYR A 145 -7.690 4.249 -1.086 1.00 1.00 C ATOM 168 CD2 TYR A 145 -6.885 6.152 0.118 1.00 1.00 C ATOM 169 CE1 TYR A 145 -7.857 5.064 -2.261 1.00 1.00 C ATOM 170 CE2 TYR A 145 -7.052 6.966 -1.057 1.00 1.00 C ATOM 171 CZ TYR A 145 -7.530 6.382 -2.189 1.00 1.00 C ATOM 172 OH TYR A 145 -7.688 7.152 -3.300 1.00 1.00 O ATOM 0 H TYR A 145 -4.800 4.834 0.464 1.00 1.00 H new ATOM 0 HA TYR A 145 -5.579 2.614 2.295 1.00 1.00 H new ATOM 0 HB2 TYR A 145 -7.853 3.232 1.386 1.00 1.00 H new ATOM 0 HB3 TYR A 145 -7.095 4.580 2.212 1.00 1.00 H new ATOM 0 HD1 TYR A 145 -7.943 3.199 -1.117 1.00 1.00 H new ATOM 0 HD2 TYR A 145 -6.508 6.591 1.030 1.00 1.00 H new ATOM 0 HE1 TYR A 145 -8.234 4.638 -3.179 1.00 1.00 H new ATOM 0 HE2 TYR A 145 -6.803 8.017 -1.041 1.00 1.00 H new ATOM 0 HH TYR A 145 -7.416 8.072 -3.102 1.00 1.00 H new ATOM 182 N GLU A 146 -4.807 2.461 -0.749 1.00 1.00 N ATOM 183 CA GLU A 146 -4.539 1.516 -1.819 1.00 1.00 C ATOM 184 C GLU A 146 -3.634 0.389 -1.316 1.00 1.00 C ATOM 185 O GLU A 146 -2.990 -0.296 -2.109 1.00 1.00 O ATOM 186 CB GLU A 146 -3.918 2.219 -3.028 1.00 1.00 C ATOM 187 CG GLU A 146 -4.492 3.626 -3.199 1.00 1.00 C ATOM 188 CD GLU A 146 -3.533 4.681 -2.647 1.00 1.00 C ATOM 189 OE1 GLU A 146 -3.602 4.925 -1.422 1.00 1.00 O ATOM 190 OE2 GLU A 146 -2.753 5.221 -3.460 1.00 1.00 O ATOM 0 H GLU A 146 -4.280 3.332 -0.808 1.00 1.00 H new ATOM 0 HA GLU A 146 -5.486 1.081 -2.140 1.00 1.00 H new ATOM 0 HB2 GLU A 146 -2.837 2.276 -2.904 1.00 1.00 H new ATOM 0 HB3 GLU A 146 -4.105 1.634 -3.929 1.00 1.00 H new ATOM 0 HG2 GLU A 146 -4.682 3.819 -4.255 1.00 1.00 H new ATOM 0 HG3 GLU A 146 -5.450 3.696 -2.685 1.00 1.00 H new ATOM 197 N ASP A 147 -3.615 0.232 0.000 1.00 1.00 N ATOM 198 CA ASP A 147 -2.742 -0.749 0.624 1.00 1.00 C ATOM 199 C ASP A 147 -2.926 -2.102 -0.065 1.00 1.00 C ATOM 200 O ASP A 147 -1.963 -2.842 -0.256 1.00 1.00 O ATOM 201 CB ASP A 147 -3.079 -0.923 2.106 1.00 1.00 C ATOM 202 CG ASP A 147 -2.068 -1.745 2.907 1.00 1.00 C ATOM 203 OD1 ASP A 147 -0.955 -1.219 3.126 1.00 1.00 O ATOM 204 OD2 ASP A 147 -2.431 -2.881 3.282 1.00 1.00 O ATOM 0 H ASP A 147 -4.190 0.767 0.651 1.00 1.00 H new ATOM 0 HA ASP A 147 -1.715 -0.396 0.527 1.00 1.00 H new ATOM 0 HB2 ASP A 147 -3.165 0.063 2.562 1.00 1.00 H new ATOM 0 HB3 ASP A 147 -4.057 -1.398 2.187 1.00 1.00 H new ATOM 209 N ARG A 148 -4.172 -2.384 -0.420 1.00 1.00 N ATOM 210 CA ARG A 148 -4.548 -3.728 -0.823 1.00 1.00 C ATOM 211 C ARG A 148 -3.999 -4.039 -2.217 1.00 1.00 C ATOM 212 O ARG A 148 -3.989 -5.193 -2.642 1.00 1.00 O ATOM 213 CB ARG A 148 -6.069 -3.895 -0.832 1.00 1.00 C ATOM 214 CG ARG A 148 -6.653 -3.674 0.564 1.00 1.00 C ATOM 215 CD ARG A 148 -6.379 -4.876 1.471 1.00 1.00 C ATOM 216 NE ARG A 148 -5.050 -4.735 2.108 1.00 1.00 N ATOM 217 CZ ARG A 148 -4.183 -5.743 2.267 1.00 1.00 C ATOM 218 NH1 ARG A 148 -4.526 -6.986 1.902 1.00 1.00 N ATOM 219 NH2 ARG A 148 -2.971 -5.510 2.790 1.00 1.00 N ATOM 0 H ARG A 148 -4.933 -1.705 -0.437 1.00 1.00 H new ATOM 0 HA ARG A 148 -4.122 -4.422 -0.099 1.00 1.00 H new ATOM 0 HB2 ARG A 148 -6.512 -3.186 -1.532 1.00 1.00 H new ATOM 0 HB3 ARG A 148 -6.327 -4.894 -1.184 1.00 1.00 H new ATOM 0 HG2 ARG A 148 -6.221 -2.776 1.005 1.00 1.00 H new ATOM 0 HG3 ARG A 148 -7.728 -3.507 0.490 1.00 1.00 H new ATOM 0 HD2 ARG A 148 -7.152 -4.949 2.236 1.00 1.00 H new ATOM 0 HD3 ARG A 148 -6.417 -5.797 0.890 1.00 1.00 H new ATOM 0 HE ARG A 148 -4.778 -3.812 2.447 1.00 1.00 H new ATOM 0 HH11 ARG A 148 -5.448 -7.164 1.503 1.00 1.00 H new ATOM 0 HH12 ARG A 148 -3.865 -7.754 2.023 1.00 1.00 H new ATOM 0 HH21 ARG A 148 -2.708 -4.564 3.067 1.00 1.00 H new ATOM 0 HH22 ARG A 148 -2.311 -6.279 2.911 1.00 1.00 H new ATOM 233 N TYR A 149 -3.556 -2.987 -2.891 1.00 1.00 N ATOM 234 CA TYR A 149 -3.030 -3.130 -4.238 1.00 1.00 C ATOM 235 C TYR A 149 -1.503 -3.242 -4.222 1.00 1.00 C ATOM 236 O TYR A 149 -0.907 -3.778 -5.154 1.00 1.00 O ATOM 237 CB TYR A 149 -3.428 -1.853 -4.982 1.00 1.00 C ATOM 238 CG TYR A 149 -4.932 -1.716 -5.221 1.00 1.00 C ATOM 239 CD1 TYR A 149 -5.739 -1.170 -4.242 1.00 1.00 C ATOM 240 CD2 TYR A 149 -5.484 -2.136 -6.413 1.00 1.00 C ATOM 241 CE1 TYR A 149 -7.156 -1.040 -4.466 1.00 1.00 C ATOM 242 CE2 TYR A 149 -6.901 -2.005 -6.637 1.00 1.00 C ATOM 243 CZ TYR A 149 -7.667 -1.464 -5.652 1.00 1.00 C ATOM 244 OH TYR A 149 -9.004 -1.341 -5.864 1.00 1.00 O ATOM 0 H TYR A 149 -3.551 -2.033 -2.530 1.00 1.00 H new ATOM 0 HA TYR A 149 -3.423 -4.030 -4.711 1.00 1.00 H new ATOM 0 HB2 TYR A 149 -3.081 -0.990 -4.414 1.00 1.00 H new ATOM 0 HB3 TYR A 149 -2.914 -1.829 -5.943 1.00 1.00 H new ATOM 0 HD1 TYR A 149 -5.308 -0.840 -3.308 1.00 1.00 H new ATOM 0 HD2 TYR A 149 -4.854 -2.563 -7.179 1.00 1.00 H new ATOM 0 HE1 TYR A 149 -7.798 -0.615 -3.709 1.00 1.00 H new ATOM 0 HE2 TYR A 149 -7.345 -2.329 -7.567 1.00 1.00 H new ATOM 0 HH TYR A 149 -9.227 -1.684 -6.755 1.00 1.00 H new ATOM 254 N TYR A 150 -0.917 -2.728 -3.151 1.00 1.00 N ATOM 255 CA TYR A 150 0.529 -2.584 -3.087 1.00 1.00 C ATOM 256 C TYR A 150 1.113 -3.421 -1.947 1.00 1.00 C ATOM 257 O TYR A 150 2.197 -3.126 -1.449 1.00 1.00 O ATOM 258 CB TYR A 150 0.793 -1.104 -2.804 1.00 1.00 C ATOM 259 CG TYR A 150 0.177 -0.154 -3.833 1.00 1.00 C ATOM 260 CD1 TYR A 150 -0.021 -0.577 -5.132 1.00 1.00 C ATOM 261 CD2 TYR A 150 -0.181 1.127 -3.463 1.00 1.00 C ATOM 262 CE1 TYR A 150 -0.602 0.317 -6.100 1.00 1.00 C ATOM 263 CE2 TYR A 150 -0.760 2.021 -4.431 1.00 1.00 C ATOM 264 CZ TYR A 150 -0.943 1.572 -5.702 1.00 1.00 C ATOM 265 OH TYR A 150 -1.491 2.417 -6.616 1.00 1.00 O ATOM 0 H TYR A 150 -1.415 -2.406 -2.321 1.00 1.00 H new ATOM 0 HA TYR A 150 0.990 -2.921 -4.016 1.00 1.00 H new ATOM 0 HB2 TYR A 150 0.401 -0.858 -1.817 1.00 1.00 H new ATOM 0 HB3 TYR A 150 1.870 -0.938 -2.770 1.00 1.00 H new ATOM 0 HD1 TYR A 150 0.260 -1.579 -5.422 1.00 1.00 H new ATOM 0 HD2 TYR A 150 -0.027 1.458 -2.447 1.00 1.00 H new ATOM 0 HE1 TYR A 150 -0.763 -0.002 -7.119 1.00 1.00 H new ATOM 0 HE2 TYR A 150 -1.043 3.026 -4.154 1.00 1.00 H new ATOM 0 HH TYR A 150 -1.685 3.278 -6.190 1.00 1.00 H new ATOM 275 N ARG A 151 0.367 -4.448 -1.568 1.00 1.00 N ATOM 276 CA ARG A 151 0.707 -5.225 -0.388 1.00 1.00 C ATOM 277 C ARG A 151 1.574 -6.425 -0.775 1.00 1.00 C ATOM 278 O ARG A 151 1.435 -7.505 -0.203 1.00 1.00 O ATOM 279 CB ARG A 151 -0.552 -5.722 0.326 1.00 1.00 C ATOM 280 CG ARG A 151 -1.504 -6.407 -0.655 1.00 1.00 C ATOM 281 CD ARG A 151 -1.401 -7.930 -0.546 1.00 1.00 C ATOM 282 NE ARG A 151 -0.739 -8.480 -1.751 1.00 1.00 N ATOM 283 CZ ARG A 151 -0.169 -9.691 -1.806 1.00 1.00 C ATOM 284 NH1 ARG A 151 -0.075 -10.439 -0.699 1.00 1.00 N ATOM 285 NH2 ARG A 151 0.307 -10.153 -2.971 1.00 1.00 N ATOM 0 H ARG A 151 -0.472 -4.760 -2.057 1.00 1.00 H new ATOM 0 HA ARG A 151 1.262 -4.575 0.289 1.00 1.00 H new ATOM 0 HB2 ARG A 151 -0.275 -6.420 1.116 1.00 1.00 H new ATOM 0 HB3 ARG A 151 -1.058 -4.883 0.804 1.00 1.00 H new ATOM 0 HG2 ARG A 151 -2.528 -6.093 -0.453 1.00 1.00 H new ATOM 0 HG3 ARG A 151 -1.270 -6.095 -1.673 1.00 1.00 H new ATOM 0 HD2 ARG A 151 -0.836 -8.202 0.346 1.00 1.00 H new ATOM 0 HD3 ARG A 151 -2.395 -8.363 -0.437 1.00 1.00 H new ATOM 0 HE ARG A 151 -0.716 -7.901 -2.591 1.00 1.00 H new ATOM 0 HH11 ARG A 151 -0.438 -10.087 0.187 1.00 1.00 H new ATOM 0 HH12 ARG A 151 0.359 -11.361 -0.742 1.00 1.00 H new ATOM 0 HH21 ARG A 151 0.235 -9.583 -3.814 1.00 1.00 H new ATOM 0 HH22 ARG A 151 0.741 -11.075 -3.015 1.00 1.00 H new ATOM 299 N GLU A 152 2.448 -6.195 -1.742 1.00 1.00 N ATOM 300 CA GLU A 152 3.103 -7.292 -2.435 1.00 1.00 C ATOM 301 C GLU A 152 4.361 -7.722 -1.676 1.00 1.00 C ATOM 302 O GLU A 152 5.389 -8.013 -2.286 1.00 1.00 O ATOM 303 CB GLU A 152 3.439 -6.907 -3.877 1.00 1.00 C ATOM 304 CG GLU A 152 2.209 -6.347 -4.595 1.00 1.00 C ATOM 305 CD GLU A 152 0.990 -7.244 -4.376 1.00 1.00 C ATOM 306 OE1 GLU A 152 1.030 -8.389 -4.875 1.00 1.00 O ATOM 307 OE2 GLU A 152 0.044 -6.765 -3.713 1.00 1.00 O ATOM 0 H GLU A 152 2.719 -5.265 -2.063 1.00 1.00 H new ATOM 0 HA GLU A 152 2.415 -8.137 -2.470 1.00 1.00 H new ATOM 0 HB2 GLU A 152 4.237 -6.165 -3.883 1.00 1.00 H new ATOM 0 HB3 GLU A 152 3.812 -7.780 -4.413 1.00 1.00 H new ATOM 0 HG2 GLU A 152 1.996 -5.343 -4.229 1.00 1.00 H new ATOM 0 HG3 GLU A 152 2.414 -6.261 -5.662 1.00 1.00 H new ATOM 314 N ASN A 153 4.237 -7.750 -0.357 1.00 1.00 N ATOM 315 CA ASN A 153 5.351 -8.142 0.490 1.00 1.00 C ATOM 316 C ASN A 153 4.810 -8.735 1.793 1.00 1.00 C ATOM 317 O ASN A 153 5.581 -9.149 2.658 1.00 1.00 O ATOM 318 CB ASN A 153 6.222 -6.936 0.847 1.00 1.00 C ATOM 319 CG ASN A 153 5.519 -6.032 1.860 1.00 1.00 C ATOM 320 OD1 ASN A 153 4.422 -5.546 1.642 1.00 1.00 O ATOM 321 ND2 ASN A 153 6.210 -5.834 2.979 1.00 1.00 N ATOM 0 H ASN A 153 3.383 -7.508 0.146 1.00 1.00 H new ATOM 0 HA ASN A 153 5.950 -8.871 -0.056 1.00 1.00 H new ATOM 0 HB2 ASN A 153 7.172 -7.278 1.258 1.00 1.00 H new ATOM 0 HB3 ASN A 153 6.450 -6.368 -0.055 1.00 1.00 H new ATOM 0 HD21 ASN A 153 5.826 -5.245 3.718 1.00 1.00 H new ATOM 0 HD22 ASN A 153 7.124 -6.271 3.098 1.00 1.00 H new ATOM 328 N MET A 154 3.488 -8.757 1.892 1.00 1.00 N ATOM 329 CA MET A 154 2.838 -9.088 3.148 1.00 1.00 C ATOM 330 C MET A 154 1.352 -9.386 2.935 1.00 1.00 C ATOM 331 O MET A 154 0.900 -9.523 1.799 1.00 1.00 O ATOM 332 CB MET A 154 2.990 -7.921 4.125 1.00 1.00 C ATOM 333 CG MET A 154 3.268 -8.424 5.543 1.00 1.00 C ATOM 334 SD MET A 154 3.287 -7.052 6.685 1.00 1.00 S ATOM 335 CE MET A 154 3.659 -7.917 8.201 1.00 1.00 C ATOM 0 H MET A 154 2.851 -8.551 1.123 1.00 1.00 H new ATOM 0 HA MET A 154 3.313 -9.980 3.557 1.00 1.00 H new ATOM 0 HB2 MET A 154 3.804 -7.273 3.799 1.00 1.00 H new ATOM 0 HB3 MET A 154 2.082 -7.318 4.121 1.00 1.00 H new ATOM 0 HG2 MET A 154 2.504 -9.143 5.839 1.00 1.00 H new ATOM 0 HG3 MET A 154 4.225 -8.945 5.572 1.00 1.00 H new ATOM 0 HE1 MET A 154 3.708 -7.204 9.024 1.00 1.00 H new ATOM 0 HE2 MET A 154 2.878 -8.650 8.402 1.00 1.00 H new ATOM 0 HE3 MET A 154 4.618 -8.426 8.104 1.00 1.00 H new ATOM 345 N TYR A 155 0.634 -9.477 4.044 1.00 1.00 N ATOM 346 CA TYR A 155 -0.818 -9.482 3.998 1.00 1.00 C ATOM 347 C TYR A 155 -1.349 -8.239 3.281 1.00 1.00 C ATOM 348 O TYR A 155 -0.793 -7.150 3.548 1.00 1.00 O ATOM 349 CB TYR A 155 -1.287 -9.456 5.454 1.00 1.00 C ATOM 350 CG TYR A 155 -0.616 -10.506 6.342 1.00 1.00 C ATOM 351 CD1 TYR A 155 -0.847 -11.848 6.120 1.00 1.00 C ATOM 352 CD2 TYR A 155 0.219 -10.110 7.367 1.00 1.00 C ATOM 353 CE1 TYR A 155 -0.216 -12.835 6.956 1.00 1.00 C ATOM 354 CE2 TYR A 155 0.851 -11.097 8.204 1.00 1.00 C ATOM 355 CZ TYR A 155 0.602 -12.412 7.957 1.00 1.00 C ATOM 356 OH TYR A 155 1.198 -13.344 8.747 1.00 1.00 O ATOM 357 OXT TYR A 155 -2.296 -8.404 2.483 1.00 1.00 O ATOM 0 H TYR A 155 1.031 -9.548 4.981 1.00 1.00 H new ATOM 0 HA TYR A 155 -1.181 -10.356 3.458 1.00 1.00 H new ATOM 0 HB2 TYR A 155 -1.095 -8.467 5.870 1.00 1.00 H new ATOM 0 HB3 TYR A 155 -2.366 -9.608 5.480 1.00 1.00 H new ATOM 0 HD1 TYR A 155 -1.501 -12.158 5.319 1.00 1.00 H new ATOM 0 HD2 TYR A 155 0.399 -9.059 7.542 1.00 1.00 H new ATOM 0 HE1 TYR A 155 -0.388 -13.889 6.792 1.00 1.00 H new ATOM 0 HE2 TYR A 155 1.507 -10.801 9.009 1.00 1.00 H new ATOM 0 HH TYR A 155 1.754 -12.896 9.418 1.00 1.00 H new TER 367 TYR A 155