USER MOD reduce.3.24.130724 H: found=0, std=0, add=169, rem=0, adj=8 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 -4:sc= 1.39 USER MOD Set 1.2: A 154 MET CE :methyl -167:sc= 0 (180deg=-0.136) USER MOD Single : A 140 HIS : no HE2:sc= -4.27 X(o=-4.3,f=-4.5) USER MOD Single : A 143 ASN : amide:sc= 0.895 K(o=0.89,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 148:sc= 1.19 USER MOD Single : A 153 ASN :FLIP amide:sc= 0.904 F(o=-0.48,f=0.9) USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 135 1.801 -3.104 2.551 1.00 1.00 N ATOM 2 CA SER A 135 1.843 -1.653 2.489 1.00 1.00 C ATOM 3 C SER A 135 3.124 -1.170 1.805 1.00 1.00 C ATOM 4 O SER A 135 4.221 -1.597 2.163 1.00 1.00 O ATOM 5 CB SER A 135 1.839 -1.169 3.940 1.00 1.00 C ATOM 6 OG SER A 135 0.901 -1.885 4.739 1.00 1.00 O ATOM 0 HA SER A 135 0.998 -1.268 1.918 1.00 1.00 H new ATOM 0 HB2 SER A 135 2.837 -1.283 4.363 1.00 1.00 H new ATOM 0 HB3 SER A 135 1.601 -0.106 3.967 1.00 1.00 H new ATOM 0 HG SER A 135 0.395 -2.505 4.173 1.00 1.00 H new ATOM 14 N ARG A 136 2.943 -0.286 0.836 1.00 1.00 N ATOM 15 CA ARG A 136 4.072 0.375 0.204 1.00 1.00 C ATOM 16 C ARG A 136 3.717 1.824 -0.136 1.00 1.00 C ATOM 17 O ARG A 136 2.565 2.131 -0.437 1.00 1.00 O ATOM 18 CB ARG A 136 4.491 -0.353 -1.074 1.00 1.00 C ATOM 19 CG ARG A 136 5.200 -1.670 -0.748 1.00 1.00 C ATOM 20 CD ARG A 136 5.860 -2.261 -1.996 1.00 1.00 C ATOM 21 NE ARG A 136 4.858 -2.995 -2.799 1.00 1.00 N ATOM 22 CZ ARG A 136 4.314 -2.528 -3.931 1.00 1.00 C ATOM 23 NH1 ARG A 136 4.427 -1.230 -4.243 1.00 1.00 N ATOM 24 NH2 ARG A 136 3.655 -3.359 -4.751 1.00 1.00 N ATOM 0 H ARG A 136 2.030 -0.011 0.472 1.00 1.00 H new ATOM 0 HA ARG A 136 4.903 0.357 0.909 1.00 1.00 H new ATOM 0 HB2 ARG A 136 3.613 -0.551 -1.688 1.00 1.00 H new ATOM 0 HB3 ARG A 136 5.153 0.285 -1.660 1.00 1.00 H new ATOM 0 HG2 ARG A 136 5.954 -1.501 0.021 1.00 1.00 H new ATOM 0 HG3 ARG A 136 4.483 -2.382 -0.340 1.00 1.00 H new ATOM 0 HD2 ARG A 136 6.305 -1.465 -2.594 1.00 1.00 H new ATOM 0 HD3 ARG A 136 6.669 -2.932 -1.707 1.00 1.00 H new ATOM 0 HE ARG A 136 4.563 -3.914 -2.470 1.00 1.00 H new ATOM 0 HH11 ARG A 136 4.927 -0.597 -3.619 1.00 1.00 H new ATOM 0 HH12 ARG A 136 4.013 -0.875 -5.105 1.00 1.00 H new ATOM 0 HH21 ARG A 136 3.568 -4.347 -4.513 1.00 1.00 H new ATOM 0 HH22 ARG A 136 3.241 -3.003 -5.613 1.00 1.00 H new ATOM 38 N PRO A 137 4.756 2.700 -0.074 1.00 1.00 N ATOM 39 CA PRO A 137 4.626 4.052 -0.587 1.00 1.00 C ATOM 40 C PRO A 137 4.661 4.065 -2.116 1.00 1.00 C ATOM 41 O PRO A 137 5.323 3.231 -2.733 1.00 1.00 O ATOM 42 CB PRO A 137 5.777 4.823 0.039 1.00 1.00 C ATOM 43 CG PRO A 137 6.774 3.776 0.506 1.00 1.00 C ATOM 44 CD PRO A 137 6.077 2.426 0.483 1.00 1.00 C ATOM 0 HA PRO A 137 3.670 4.509 -0.329 1.00 1.00 H new ATOM 0 HB2 PRO A 137 6.232 5.501 -0.683 1.00 1.00 H new ATOM 0 HB3 PRO A 137 5.431 5.432 0.874 1.00 1.00 H new ATOM 0 HG2 PRO A 137 7.649 3.765 -0.144 1.00 1.00 H new ATOM 0 HG3 PRO A 137 7.127 4.006 1.511 1.00 1.00 H new ATOM 0 HD2 PRO A 137 6.624 1.709 -0.129 1.00 1.00 H new ATOM 0 HD3 PRO A 137 6.004 2.001 1.484 1.00 1.00 H new ATOM 52 N LEU A 138 3.940 5.020 -2.686 1.00 1.00 N ATOM 53 CA LEU A 138 4.126 5.365 -4.085 1.00 1.00 C ATOM 54 C LEU A 138 4.184 6.887 -4.227 1.00 1.00 C ATOM 55 O LEU A 138 3.778 7.435 -5.251 1.00 1.00 O ATOM 56 CB LEU A 138 3.046 4.708 -4.947 1.00 1.00 C ATOM 57 CG LEU A 138 3.401 4.490 -6.419 1.00 1.00 C ATOM 58 CD1 LEU A 138 4.318 3.277 -6.587 1.00 1.00 C ATOM 59 CD2 LEU A 138 2.140 4.379 -7.277 1.00 1.00 C ATOM 0 H LEU A 138 3.226 5.566 -2.204 1.00 1.00 H new ATOM 0 HA LEU A 138 5.075 4.974 -4.451 1.00 1.00 H new ATOM 0 HB2 LEU A 138 2.796 3.742 -4.507 1.00 1.00 H new ATOM 0 HB3 LEU A 138 2.147 5.322 -4.898 1.00 1.00 H new ATOM 0 HG LEU A 138 3.953 5.362 -6.770 1.00 1.00 H new ATOM 0 HD11 LEU A 138 4.555 3.144 -7.642 1.00 1.00 H new ATOM 0 HD12 LEU A 138 5.238 3.436 -6.025 1.00 1.00 H new ATOM 0 HD13 LEU A 138 3.814 2.386 -6.213 1.00 1.00 H new ATOM 0 HD21 LEU A 138 2.421 4.224 -8.319 1.00 1.00 H new ATOM 0 HD22 LEU A 138 1.540 3.536 -6.934 1.00 1.00 H new ATOM 0 HD23 LEU A 138 1.559 5.297 -7.190 1.00 1.00 H new ATOM 71 N ILE A 139 4.693 7.527 -3.185 1.00 1.00 N ATOM 72 CA ILE A 139 3.971 8.618 -2.551 1.00 1.00 C ATOM 73 C ILE A 139 2.472 8.308 -2.565 1.00 1.00 C ATOM 74 O ILE A 139 1.867 8.202 -3.630 1.00 1.00 O ATOM 75 CB ILE A 139 4.329 9.952 -3.210 1.00 1.00 C ATOM 76 CG1 ILE A 139 5.846 10.123 -3.312 1.00 1.00 C ATOM 77 CG2 ILE A 139 3.668 11.121 -2.479 1.00 1.00 C ATOM 78 CD1 ILE A 139 6.492 10.120 -1.925 1.00 1.00 C ATOM 0 H ILE A 139 5.596 7.311 -2.764 1.00 1.00 H new ATOM 0 HA ILE A 139 4.268 8.715 -1.507 1.00 1.00 H new ATOM 0 HB ILE A 139 3.936 9.946 -4.227 1.00 1.00 H new ATOM 0 HG12 ILE A 139 6.267 9.318 -3.915 1.00 1.00 H new ATOM 0 HG13 ILE A 139 6.077 11.058 -3.823 1.00 1.00 H new ATOM 0 HG21 ILE A 139 3.939 12.056 -2.968 1.00 1.00 H new ATOM 0 HG22 ILE A 139 2.585 11.000 -2.503 1.00 1.00 H new ATOM 0 HG23 ILE A 139 4.008 11.141 -1.443 1.00 1.00 H new ATOM 0 HD11 ILE A 139 7.570 10.243 -2.026 1.00 1.00 H new ATOM 0 HD12 ILE A 139 6.087 10.941 -1.333 1.00 1.00 H new ATOM 0 HD13 ILE A 139 6.280 9.174 -1.427 1.00 1.00 H new ATOM 90 N HIS A 140 1.919 8.173 -1.369 1.00 1.00 N ATOM 91 CA HIS A 140 0.528 7.773 -1.230 1.00 1.00 C ATOM 92 C HIS A 140 -0.104 8.518 -0.052 1.00 1.00 C ATOM 93 O HIS A 140 -0.754 7.907 0.795 1.00 1.00 O ATOM 94 CB HIS A 140 0.411 6.253 -1.102 1.00 1.00 C ATOM 95 CG HIS A 140 1.033 5.692 0.154 1.00 1.00 C ATOM 96 ND1 HIS A 140 1.138 4.332 0.395 1.00 1.00 N ATOM 97 CD2 HIS A 140 1.584 6.319 1.233 1.00 1.00 C ATOM 98 CE1 HIS A 140 1.726 4.161 1.571 1.00 1.00 C ATOM 99 NE2 HIS A 140 2.000 5.393 2.088 1.00 1.00 N ATOM 0 H HIS A 140 2.408 8.333 -0.488 1.00 1.00 H new ATOM 0 HA HIS A 140 -0.026 8.047 -2.128 1.00 1.00 H new ATOM 0 HB2 HIS A 140 -0.643 5.977 -1.128 1.00 1.00 H new ATOM 0 HB3 HIS A 140 0.883 5.789 -1.968 1.00 1.00 H new ATOM 0 HD1 HIS A 140 0.818 3.589 -0.226 1.00 1.00 H new ATOM 0 HD2 HIS A 140 1.668 7.387 1.368 1.00 1.00 H new ATOM 0 HE1 HIS A 140 1.949 3.213 2.038 1.00 1.00 H new ATOM 108 N PHE A 141 0.107 9.825 -0.038 1.00 1.00 N ATOM 109 CA PHE A 141 -0.600 10.688 0.893 1.00 1.00 C ATOM 110 C PHE A 141 -1.994 10.135 1.200 1.00 1.00 C ATOM 111 O PHE A 141 -2.782 9.885 0.289 1.00 1.00 O ATOM 112 CB PHE A 141 -0.744 12.052 0.217 1.00 1.00 C ATOM 113 CG PHE A 141 0.542 12.881 0.207 1.00 1.00 C ATOM 114 CD1 PHE A 141 1.023 13.403 1.366 1.00 1.00 C ATOM 115 CD2 PHE A 141 1.204 13.094 -0.963 1.00 1.00 C ATOM 116 CE1 PHE A 141 2.218 14.171 1.356 1.00 1.00 C ATOM 117 CE2 PHE A 141 2.398 13.863 -0.972 1.00 1.00 C ATOM 118 CZ PHE A 141 2.880 14.385 0.188 1.00 1.00 C ATOM 0 H PHE A 141 0.758 10.308 -0.657 1.00 1.00 H new ATOM 0 HA PHE A 141 -0.049 10.755 1.831 1.00 1.00 H new ATOM 0 HB2 PHE A 141 -1.076 11.903 -0.810 1.00 1.00 H new ATOM 0 HB3 PHE A 141 -1.525 12.618 0.726 1.00 1.00 H new ATOM 0 HD1 PHE A 141 0.497 13.234 2.294 1.00 1.00 H new ATOM 0 HD2 PHE A 141 0.822 12.679 -1.884 1.00 1.00 H new ATOM 0 HE1 PHE A 141 2.601 14.585 2.277 1.00 1.00 H new ATOM 0 HE2 PHE A 141 2.923 14.033 -1.900 1.00 1.00 H new ATOM 0 HZ PHE A 141 3.788 14.969 0.181 1.00 1.00 H new ATOM 128 N GLY A 142 -2.255 9.961 2.487 1.00 1.00 N ATOM 129 CA GLY A 142 -1.228 9.496 3.403 1.00 1.00 C ATOM 130 C GLY A 142 -1.734 8.323 4.245 1.00 1.00 C ATOM 131 O GLY A 142 -1.657 8.355 5.472 1.00 1.00 O ATOM 0 H GLY A 142 -3.164 10.134 2.917 1.00 1.00 H new ATOM 0 HA2 GLY A 142 -0.346 9.191 2.841 1.00 1.00 H new ATOM 0 HA3 GLY A 142 -0.922 10.313 4.057 1.00 1.00 H new ATOM 135 N ASN A 143 -2.239 7.313 3.551 1.00 1.00 N ATOM 136 CA ASN A 143 -3.119 6.341 4.177 1.00 1.00 C ATOM 137 C ASN A 143 -2.996 5.002 3.447 1.00 1.00 C ATOM 138 O ASN A 143 -3.483 3.981 3.928 1.00 1.00 O ATOM 139 CB ASN A 143 -4.580 6.790 4.098 1.00 1.00 C ATOM 140 CG ASN A 143 -5.326 6.459 5.392 1.00 1.00 C ATOM 141 OD1 ASN A 143 -5.877 7.319 6.058 1.00 1.00 O ATOM 142 ND2 ASN A 143 -5.312 5.167 5.708 1.00 1.00 N ATOM 0 H ASN A 143 -2.055 7.147 2.561 1.00 1.00 H new ATOM 0 HA ASN A 143 -2.826 6.246 5.223 1.00 1.00 H new ATOM 0 HB2 ASN A 143 -4.625 7.863 3.913 1.00 1.00 H new ATOM 0 HB3 ASN A 143 -5.070 6.300 3.256 1.00 1.00 H new ATOM 0 HD21 ASN A 143 -5.782 4.844 6.553 1.00 1.00 H new ATOM 0 HD22 ASN A 143 -4.831 4.500 5.105 1.00 1.00 H new ATOM 149 N ASP A 144 -2.344 5.052 2.294 1.00 1.00 N ATOM 150 CA ASP A 144 -1.994 3.835 1.579 1.00 1.00 C ATOM 151 C ASP A 144 -3.274 3.091 1.192 1.00 1.00 C ATOM 152 O ASP A 144 -3.554 2.015 1.717 1.00 1.00 O ATOM 153 CB ASP A 144 -1.153 2.904 2.454 1.00 1.00 C ATOM 154 CG ASP A 144 -0.305 1.888 1.689 1.00 1.00 C ATOM 155 OD1 ASP A 144 -0.551 1.745 0.471 1.00 1.00 O ATOM 156 OD2 ASP A 144 0.573 1.277 2.337 1.00 1.00 O ATOM 0 H ASP A 144 -2.049 5.915 1.837 1.00 1.00 H new ATOM 0 HA ASP A 144 -1.420 4.116 0.696 1.00 1.00 H new ATOM 0 HB2 ASP A 144 -0.494 3.511 3.075 1.00 1.00 H new ATOM 0 HB3 ASP A 144 -1.818 2.365 3.128 1.00 1.00 H new ATOM 161 N TYR A 145 -4.018 3.696 0.276 1.00 1.00 N ATOM 162 CA TYR A 145 -5.160 3.027 -0.320 1.00 1.00 C ATOM 163 C TYR A 145 -4.715 1.833 -1.167 1.00 1.00 C ATOM 164 O TYR A 145 -5.529 0.982 -1.525 1.00 1.00 O ATOM 165 CB TYR A 145 -5.827 4.060 -1.229 1.00 1.00 C ATOM 166 CG TYR A 145 -4.852 5.053 -1.863 1.00 1.00 C ATOM 167 CD1 TYR A 145 -4.477 6.188 -1.173 1.00 1.00 C ATOM 168 CD2 TYR A 145 -4.347 4.816 -3.125 1.00 1.00 C ATOM 169 CE1 TYR A 145 -3.557 7.123 -1.770 1.00 1.00 C ATOM 170 CE2 TYR A 145 -3.428 5.750 -3.722 1.00 1.00 C ATOM 171 CZ TYR A 145 -3.079 6.858 -3.015 1.00 1.00 C ATOM 172 OH TYR A 145 -2.212 7.740 -3.578 1.00 1.00 O ATOM 0 H TYR A 145 -3.851 4.642 -0.067 1.00 1.00 H new ATOM 0 HA TYR A 145 -5.832 2.654 0.453 1.00 1.00 H new ATOM 0 HB2 TYR A 145 -6.365 3.539 -2.021 1.00 1.00 H new ATOM 0 HB3 TYR A 145 -6.568 4.613 -0.651 1.00 1.00 H new ATOM 0 HD1 TYR A 145 -4.873 6.375 -0.186 1.00 1.00 H new ATOM 0 HD2 TYR A 145 -4.641 3.929 -3.666 1.00 1.00 H new ATOM 0 HE1 TYR A 145 -3.254 8.014 -1.240 1.00 1.00 H new ATOM 0 HE2 TYR A 145 -3.025 5.575 -4.709 1.00 1.00 H new ATOM 0 HH TYR A 145 -1.953 7.421 -4.468 1.00 1.00 H new ATOM 182 N GLU A 146 -3.424 1.806 -1.464 1.00 1.00 N ATOM 183 CA GLU A 146 -2.894 0.845 -2.416 1.00 1.00 C ATOM 184 C GLU A 146 -2.550 -0.467 -1.709 1.00 1.00 C ATOM 185 O GLU A 146 -2.112 -1.423 -2.348 1.00 1.00 O ATOM 186 CB GLU A 146 -1.674 1.412 -3.145 1.00 1.00 C ATOM 187 CG GLU A 146 -1.946 2.832 -3.645 1.00 1.00 C ATOM 188 CD GLU A 146 -0.693 3.438 -4.282 1.00 1.00 C ATOM 189 OE1 GLU A 146 -0.442 3.113 -5.463 1.00 1.00 O ATOM 190 OE2 GLU A 146 -0.013 4.212 -3.573 1.00 1.00 O ATOM 0 H GLU A 146 -2.729 2.435 -1.062 1.00 1.00 H new ATOM 0 HA GLU A 146 -3.661 0.642 -3.164 1.00 1.00 H new ATOM 0 HB2 GLU A 146 -0.815 1.417 -2.474 1.00 1.00 H new ATOM 0 HB3 GLU A 146 -1.417 0.769 -3.987 1.00 1.00 H new ATOM 0 HG2 GLU A 146 -2.757 2.816 -4.373 1.00 1.00 H new ATOM 0 HG3 GLU A 146 -2.275 3.457 -2.815 1.00 1.00 H new ATOM 197 N ASP A 147 -2.760 -0.471 -0.401 1.00 1.00 N ATOM 198 CA ASP A 147 -2.205 -1.514 0.443 1.00 1.00 C ATOM 199 C ASP A 147 -2.796 -2.865 0.031 1.00 1.00 C ATOM 200 O ASP A 147 -2.143 -3.899 0.167 1.00 1.00 O ATOM 201 CB ASP A 147 -2.551 -1.277 1.914 1.00 1.00 C ATOM 202 CG ASP A 147 -2.188 -2.424 2.858 1.00 1.00 C ATOM 203 OD1 ASP A 147 -0.974 -2.593 3.105 1.00 1.00 O ATOM 204 OD2 ASP A 147 -3.132 -3.106 3.313 1.00 1.00 O ATOM 0 H ASP A 147 -3.307 0.232 0.095 1.00 1.00 H new ATOM 0 HA ASP A 147 -1.122 -1.504 0.322 1.00 1.00 H new ATOM 0 HB2 ASP A 147 -2.041 -0.375 2.251 1.00 1.00 H new ATOM 0 HB3 ASP A 147 -3.621 -1.086 1.993 1.00 1.00 H new ATOM 209 N ARG A 148 -4.023 -2.811 -0.464 1.00 1.00 N ATOM 210 CA ARG A 148 -4.735 -4.023 -0.834 1.00 1.00 C ATOM 211 C ARG A 148 -3.969 -4.777 -1.922 1.00 1.00 C ATOM 212 O ARG A 148 -4.189 -5.970 -2.128 1.00 1.00 O ATOM 213 CB ARG A 148 -6.143 -3.703 -1.338 1.00 1.00 C ATOM 214 CG ARG A 148 -7.076 -3.357 -0.176 1.00 1.00 C ATOM 215 CD ARG A 148 -6.977 -1.874 0.186 1.00 1.00 C ATOM 216 NE ARG A 148 -6.726 -1.723 1.636 1.00 1.00 N ATOM 217 CZ ARG A 148 -6.070 -0.689 2.181 1.00 1.00 C ATOM 218 NH1 ARG A 148 -5.704 0.350 1.419 1.00 1.00 N ATOM 219 NH2 ARG A 148 -5.778 -0.696 3.489 1.00 1.00 N ATOM 0 H ARG A 148 -4.543 -1.947 -0.618 1.00 1.00 H new ATOM 0 HA ARG A 148 -4.814 -4.646 0.057 1.00 1.00 H new ATOM 0 HB2 ARG A 148 -6.102 -2.868 -2.037 1.00 1.00 H new ATOM 0 HB3 ARG A 148 -6.540 -4.558 -1.886 1.00 1.00 H new ATOM 0 HG2 ARG A 148 -8.104 -3.601 -0.445 1.00 1.00 H new ATOM 0 HG3 ARG A 148 -6.821 -3.964 0.692 1.00 1.00 H new ATOM 0 HD2 ARG A 148 -6.173 -1.406 -0.381 1.00 1.00 H new ATOM 0 HD3 ARG A 148 -7.900 -1.362 -0.087 1.00 1.00 H new ATOM 0 HE ARG A 148 -7.074 -2.451 2.260 1.00 1.00 H new ATOM 0 HH11 ARG A 148 -5.924 0.355 0.423 1.00 1.00 H new ATOM 0 HH12 ARG A 148 -5.205 1.136 1.835 1.00 1.00 H new ATOM 0 HH21 ARG A 148 -6.055 -1.488 4.069 1.00 1.00 H new ATOM 0 HH22 ARG A 148 -5.279 0.091 3.904 1.00 1.00 H new ATOM 233 N TYR A 149 -3.087 -4.051 -2.593 1.00 1.00 N ATOM 234 CA TYR A 149 -2.318 -4.625 -3.683 1.00 1.00 C ATOM 235 C TYR A 149 -0.837 -4.730 -3.312 1.00 1.00 C ATOM 236 O TYR A 149 -0.131 -5.610 -3.803 1.00 1.00 O ATOM 237 CB TYR A 149 -2.468 -3.661 -4.860 1.00 1.00 C ATOM 238 CG TYR A 149 -3.908 -3.205 -5.110 1.00 1.00 C ATOM 239 CD1 TYR A 149 -4.822 -4.079 -5.664 1.00 1.00 C ATOM 240 CD2 TYR A 149 -4.291 -1.921 -4.783 1.00 1.00 C ATOM 241 CE1 TYR A 149 -6.176 -3.650 -5.899 1.00 1.00 C ATOM 242 CE2 TYR A 149 -5.646 -1.492 -5.018 1.00 1.00 C ATOM 243 CZ TYR A 149 -6.521 -2.378 -5.565 1.00 1.00 C ATOM 244 OH TYR A 149 -7.801 -1.972 -5.788 1.00 1.00 O ATOM 0 H TYR A 149 -2.888 -3.069 -2.402 1.00 1.00 H new ATOM 0 HA TYR A 149 -2.674 -5.628 -3.917 1.00 1.00 H new ATOM 0 HB2 TYR A 149 -1.846 -2.784 -4.680 1.00 1.00 H new ATOM 0 HB3 TYR A 149 -2.088 -4.142 -5.761 1.00 1.00 H new ATOM 0 HD1 TYR A 149 -4.521 -5.084 -5.921 1.00 1.00 H new ATOM 0 HD2 TYR A 149 -3.575 -1.237 -4.351 1.00 1.00 H new ATOM 0 HE1 TYR A 149 -6.901 -4.323 -6.331 1.00 1.00 H new ATOM 0 HE2 TYR A 149 -5.960 -0.490 -4.766 1.00 1.00 H new ATOM 0 HH TYR A 149 -7.904 -1.041 -5.500 1.00 1.00 H new ATOM 254 N TYR A 150 -0.409 -3.821 -2.449 1.00 1.00 N ATOM 255 CA TYR A 150 0.992 -3.747 -2.071 1.00 1.00 C ATOM 256 C TYR A 150 1.247 -4.496 -0.761 1.00 1.00 C ATOM 257 O TYR A 150 2.155 -4.146 -0.009 1.00 1.00 O ATOM 258 CB TYR A 150 1.295 -2.261 -1.863 1.00 1.00 C ATOM 259 CG TYR A 150 1.147 -1.412 -3.127 1.00 1.00 C ATOM 260 CD1 TYR A 150 0.834 -2.014 -4.329 1.00 1.00 C ATOM 261 CD2 TYR A 150 1.326 -0.045 -3.065 1.00 1.00 C ATOM 262 CE1 TYR A 150 0.695 -1.216 -5.519 1.00 1.00 C ATOM 263 CE2 TYR A 150 1.186 0.753 -4.254 1.00 1.00 C ATOM 264 CZ TYR A 150 0.878 0.129 -5.423 1.00 1.00 C ATOM 265 OH TYR A 150 0.745 0.884 -6.546 1.00 1.00 O ATOM 0 H TYR A 150 -1.008 -3.129 -2.000 1.00 1.00 H new ATOM 0 HA TYR A 150 1.621 -4.198 -2.838 1.00 1.00 H new ATOM 0 HB2 TYR A 150 0.629 -1.869 -1.095 1.00 1.00 H new ATOM 0 HB3 TYR A 150 2.312 -2.158 -1.486 1.00 1.00 H new ATOM 0 HD1 TYR A 150 0.693 -3.084 -4.377 1.00 1.00 H new ATOM 0 HD2 TYR A 150 1.571 0.426 -2.124 1.00 1.00 H new ATOM 0 HE1 TYR A 150 0.451 -1.674 -6.466 1.00 1.00 H new ATOM 0 HE2 TYR A 150 1.322 1.824 -4.219 1.00 1.00 H new ATOM 0 HH TYR A 150 0.397 1.768 -6.306 1.00 1.00 H new ATOM 275 N ARG A 151 0.430 -5.513 -0.529 1.00 1.00 N ATOM 276 CA ARG A 151 0.690 -6.451 0.549 1.00 1.00 C ATOM 277 C ARG A 151 1.279 -7.749 -0.006 1.00 1.00 C ATOM 278 O ARG A 151 0.736 -8.829 0.224 1.00 1.00 O ATOM 279 CB ARG A 151 -0.592 -6.769 1.322 1.00 1.00 C ATOM 280 CG ARG A 151 -1.732 -7.130 0.368 1.00 1.00 C ATOM 281 CD ARG A 151 -3.043 -7.329 1.132 1.00 1.00 C ATOM 282 NE ARG A 151 -3.172 -6.304 2.192 1.00 1.00 N ATOM 283 CZ ARG A 151 -3.207 -6.580 3.502 1.00 1.00 C ATOM 284 NH1 ARG A 151 -3.251 -7.853 3.918 1.00 1.00 N ATOM 285 NH2 ARG A 151 -3.196 -5.582 4.398 1.00 1.00 N ATOM 0 H ARG A 151 -0.413 -5.708 -1.070 1.00 1.00 H new ATOM 0 HA ARG A 151 1.405 -5.986 1.228 1.00 1.00 H new ATOM 0 HB2 ARG A 151 -0.411 -7.596 2.008 1.00 1.00 H new ATOM 0 HB3 ARG A 151 -0.878 -5.909 1.928 1.00 1.00 H new ATOM 0 HG2 ARG A 151 -1.855 -6.340 -0.373 1.00 1.00 H new ATOM 0 HG3 ARG A 151 -1.482 -8.041 -0.176 1.00 1.00 H new ATOM 0 HD2 ARG A 151 -3.887 -7.262 0.446 1.00 1.00 H new ATOM 0 HD3 ARG A 151 -3.069 -8.325 1.573 1.00 1.00 H new ATOM 0 HE ARG A 151 -3.238 -5.327 1.907 1.00 1.00 H new ATOM 0 HH11 ARG A 151 -3.258 -8.612 3.237 1.00 1.00 H new ATOM 0 HH12 ARG A 151 -3.278 -8.063 4.916 1.00 1.00 H new ATOM 0 HH21 ARG A 151 -3.161 -4.613 4.082 1.00 1.00 H new ATOM 0 HH22 ARG A 151 -3.223 -5.792 5.396 1.00 1.00 H new ATOM 299 N GLU A 152 2.381 -7.601 -0.726 1.00 1.00 N ATOM 300 CA GLU A 152 3.259 -8.728 -0.990 1.00 1.00 C ATOM 301 C GLU A 152 4.268 -8.893 0.149 1.00 1.00 C ATOM 302 O GLU A 152 5.399 -9.321 -0.077 1.00 1.00 O ATOM 303 CB GLU A 152 3.972 -8.564 -2.334 1.00 1.00 C ATOM 304 CG GLU A 152 4.908 -7.354 -2.315 1.00 1.00 C ATOM 305 CD GLU A 152 4.207 -6.110 -2.863 1.00 1.00 C ATOM 306 OE1 GLU A 152 4.220 -5.952 -4.103 1.00 1.00 O ATOM 307 OE2 GLU A 152 3.675 -5.345 -2.030 1.00 1.00 O ATOM 0 H GLU A 152 2.686 -6.718 -1.135 1.00 1.00 H new ATOM 0 HA GLU A 152 2.652 -9.632 -1.045 1.00 1.00 H new ATOM 0 HB2 GLU A 152 4.542 -9.465 -2.560 1.00 1.00 H new ATOM 0 HB3 GLU A 152 3.235 -8.446 -3.128 1.00 1.00 H new ATOM 0 HG2 GLU A 152 5.245 -7.166 -1.296 1.00 1.00 H new ATOM 0 HG3 GLU A 152 5.796 -7.567 -2.910 1.00 1.00 H new ATOM 314 N ASN A 153 3.822 -8.545 1.347 1.00 1.00 N ATOM 315 CA ASN A 153 4.737 -8.345 2.457 1.00 1.00 C ATOM 316 C ASN A 153 3.950 -8.350 3.769 1.00 1.00 C ATOM 317 O ASN A 153 4.497 -8.042 4.826 1.00 1.00 O ATOM 318 CB ASN A 153 5.456 -7.001 2.342 1.00 1.00 C ATOM 319 CG ASN A 153 4.479 -5.886 1.963 1.00 1.00 C ATOM 320 OD1 ASN A 153 4.522 -5.542 0.679 1.00 1.00 O flip ATOM 321 ND2 ASN A 153 3.735 -5.373 2.782 1.00 1.00 N flip ATOM 0 H ASN A 153 2.839 -8.396 1.573 1.00 1.00 H new ATOM 0 HA ASN A 153 5.472 -9.150 2.437 1.00 1.00 H new ATOM 0 HB2 ASN A 153 5.938 -6.760 3.290 1.00 1.00 H new ATOM 0 HB3 ASN A 153 6.244 -7.069 1.592 1.00 1.00 H new ATOM 0 HD21 ASN A 153 3.753 -5.685 3.753 1.00 1.00 H new ATOM 0 HD22 ASN A 153 3.095 -4.632 2.496 1.00 1.00 H new ATOM 328 N MET A 154 2.678 -8.704 3.658 1.00 1.00 N ATOM 329 CA MET A 154 1.752 -8.528 4.763 1.00 1.00 C ATOM 330 C MET A 154 0.561 -9.479 4.639 1.00 1.00 C ATOM 331 O MET A 154 0.017 -9.659 3.551 1.00 1.00 O ATOM 332 CB MET A 154 1.250 -7.082 4.783 1.00 1.00 C ATOM 333 CG MET A 154 0.368 -6.825 6.006 1.00 1.00 C ATOM 334 SD MET A 154 -0.070 -5.097 6.091 1.00 1.00 S ATOM 335 CE MET A 154 1.429 -4.432 6.796 1.00 1.00 C ATOM 0 H MET A 154 2.267 -9.112 2.819 1.00 1.00 H new ATOM 0 HA MET A 154 2.277 -8.754 5.691 1.00 1.00 H new ATOM 0 HB2 MET A 154 2.099 -6.399 4.792 1.00 1.00 H new ATOM 0 HB3 MET A 154 0.686 -6.877 3.873 1.00 1.00 H new ATOM 0 HG2 MET A 154 -0.534 -7.435 5.949 1.00 1.00 H new ATOM 0 HG3 MET A 154 0.895 -7.120 6.913 1.00 1.00 H new ATOM 0 HE1 MET A 154 1.251 -3.410 7.131 1.00 1.00 H new ATOM 0 HE2 MET A 154 1.735 -5.044 7.645 1.00 1.00 H new ATOM 0 HE3 MET A 154 2.218 -4.435 6.044 1.00 1.00 H new ATOM 345 N TYR A 155 0.192 -10.065 5.768 1.00 1.00 N ATOM 346 CA TYR A 155 -0.994 -10.902 5.824 1.00 1.00 C ATOM 347 C TYR A 155 -2.258 -10.080 5.558 1.00 1.00 C ATOM 348 O TYR A 155 -3.048 -10.519 4.695 1.00 1.00 O ATOM 349 CB TYR A 155 -1.053 -11.456 7.250 1.00 1.00 C ATOM 350 CG TYR A 155 -2.189 -12.453 7.484 1.00 1.00 C ATOM 351 CD1 TYR A 155 -3.432 -12.003 7.878 1.00 1.00 C ATOM 352 CD2 TYR A 155 -1.972 -13.803 7.300 1.00 1.00 C ATOM 353 CE1 TYR A 155 -4.503 -12.940 8.100 1.00 1.00 C ATOM 354 CE2 TYR A 155 -3.041 -14.741 7.520 1.00 1.00 C ATOM 355 CZ TYR A 155 -4.253 -14.264 7.909 1.00 1.00 C ATOM 356 OH TYR A 155 -5.264 -15.150 8.118 1.00 1.00 O ATOM 357 OXT TYR A 155 -2.404 -9.032 6.224 1.00 1.00 O ATOM 0 H TYR A 155 0.694 -9.977 6.652 1.00 1.00 H new ATOM 0 HA TYR A 155 -0.944 -11.689 5.071 1.00 1.00 H new ATOM 0 HB2 TYR A 155 -0.104 -11.941 7.480 1.00 1.00 H new ATOM 0 HB3 TYR A 155 -1.163 -10.625 7.947 1.00 1.00 H new ATOM 0 HD1 TYR A 155 -3.602 -10.946 8.020 1.00 1.00 H new ATOM 0 HD2 TYR A 155 -0.999 -14.156 6.991 1.00 1.00 H new ATOM 0 HE1 TYR A 155 -5.480 -12.600 8.410 1.00 1.00 H new ATOM 0 HE2 TYR A 155 -2.884 -15.800 7.379 1.00 1.00 H new ATOM 0 HH TYR A 155 -4.943 -16.059 7.943 1.00 1.00 H new TER 367 TYR A 155