USER MOD reduce.3.24.130724 H: found=0, std=0, add=201, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 204 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 143 ASN : amide:sc= -1.26 K(o=-1.3,f=-7.9!) 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= -0.503 K(o=-0.5,f=-1.2) USER MOD Single : A 154 MET CE :methyl -160:sc= -1.13 (180deg=-1.84!) USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 TYR OH : rot 180:sc= 0 USER MOD Single : A 159 ASN : amide:sc= -0.693 K(o=-0.69,f=-4.3!) USER MOD Single : A 160 GLN : amide:sc= -5.42! K(o=-5.4!,f=-1) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 163 TYR OH : rot 180:sc= 0 USER MOD Single : A 167 CYS SG : rot 180:sc= 0.161 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 142 -13.080 7.717 -6.147 1.00 0.00 N ATOM 2 CA GLY A 142 -11.677 7.323 -5.888 1.00 0.00 C ATOM 3 C GLY A 142 -11.409 5.888 -6.279 1.00 0.00 C ATOM 4 O GLY A 142 -11.110 5.598 -7.437 1.00 0.00 O ATOM 0 HA2 GLY A 142 -11.008 7.981 -6.443 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -11.452 7.458 -4.830 1.00 0.00 H new ATOM 10 N ASN A 143 -11.534 4.986 -5.317 1.00 0.00 N ATOM 11 CA ASN A 143 -11.264 3.571 -5.542 1.00 0.00 C ATOM 12 C ASN A 143 -11.945 2.736 -4.464 1.00 0.00 C ATOM 13 O ASN A 143 -12.525 3.287 -3.527 1.00 0.00 O ATOM 14 CB ASN A 143 -9.750 3.313 -5.545 1.00 0.00 C ATOM 15 CG ASN A 143 -9.125 3.382 -4.161 1.00 0.00 C ATOM 16 OD1 ASN A 143 -8.940 2.363 -3.504 1.00 0.00 O ATOM 17 ND2 ASN A 143 -8.803 4.582 -3.700 1.00 0.00 N ATOM 0 H ASN A 143 -11.823 5.210 -4.365 1.00 0.00 H new ATOM 0 HA ASN A 143 -11.664 3.283 -6.514 1.00 0.00 H new ATOM 0 HB2 ASN A 143 -9.557 2.330 -5.975 1.00 0.00 H new ATOM 0 HB3 ASN A 143 -9.265 4.044 -6.192 1.00 0.00 H new ATOM 0 HD21 ASN A 143 -8.388 4.678 -2.773 1.00 0.00 H new ATOM 0 HD22 ASN A 143 -8.970 5.410 -4.272 1.00 0.00 H new ATOM 24 N ASP A 144 -11.887 1.417 -4.599 1.00 0.00 N ATOM 25 CA ASP A 144 -12.493 0.524 -3.618 1.00 0.00 C ATOM 26 C ASP A 144 -11.741 -0.800 -3.563 1.00 0.00 C ATOM 27 O ASP A 144 -11.461 -1.411 -4.595 1.00 0.00 O ATOM 28 CB ASP A 144 -13.979 0.287 -3.934 1.00 0.00 C ATOM 29 CG ASP A 144 -14.208 -0.471 -5.228 1.00 0.00 C ATOM 30 OD1 ASP A 144 -14.169 0.153 -6.310 1.00 0.00 O ATOM 31 OD2 ASP A 144 -14.454 -1.692 -5.171 1.00 0.00 O ATOM 0 H ASP A 144 -11.428 0.942 -5.376 1.00 0.00 H new ATOM 0 HA ASP A 144 -12.426 1.001 -2.640 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -14.433 -0.267 -3.112 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -14.488 1.249 -3.990 1.00 0.00 H new ATOM 36 N TYR A 145 -11.394 -1.232 -2.355 1.00 0.00 N ATOM 37 CA TYR A 145 -10.608 -2.446 -2.174 1.00 0.00 C ATOM 38 C TYR A 145 -11.054 -3.238 -0.945 1.00 0.00 C ATOM 39 O TYR A 145 -12.240 -3.268 -0.611 1.00 0.00 O ATOM 40 CB TYR A 145 -9.130 -2.095 -2.065 1.00 0.00 C ATOM 41 CG TYR A 145 -8.469 -1.833 -3.398 1.00 0.00 C ATOM 42 CD1 TYR A 145 -7.894 -2.867 -4.126 1.00 0.00 C ATOM 43 CD2 TYR A 145 -8.425 -0.552 -3.929 1.00 0.00 C ATOM 44 CE1 TYR A 145 -7.292 -2.630 -5.348 1.00 0.00 C ATOM 45 CE2 TYR A 145 -7.826 -0.306 -5.151 1.00 0.00 C ATOM 46 CZ TYR A 145 -7.260 -1.347 -5.856 1.00 0.00 C ATOM 47 OH TYR A 145 -6.658 -1.106 -7.075 1.00 0.00 O ATOM 0 H TYR A 145 -11.645 -0.759 -1.487 1.00 0.00 H new ATOM 0 HA TYR A 145 -10.770 -3.079 -3.046 1.00 0.00 H new ATOM 0 HB2 TYR A 145 -9.021 -1.212 -1.435 1.00 0.00 H new ATOM 0 HB3 TYR A 145 -8.608 -2.910 -1.564 1.00 0.00 H new ATOM 0 HD1 TYR A 145 -7.918 -3.872 -3.731 1.00 0.00 H new ATOM 0 HD2 TYR A 145 -8.866 0.266 -3.379 1.00 0.00 H new ATOM 0 HE1 TYR A 145 -6.849 -3.444 -5.902 1.00 0.00 H new ATOM 0 HE2 TYR A 145 -7.802 0.697 -5.551 1.00 0.00 H new ATOM 0 HH TYR A 145 -6.722 -0.152 -7.289 1.00 0.00 H new ATOM 57 N GLU A 146 -10.082 -3.844 -0.265 1.00 0.00 N ATOM 58 CA GLU A 146 -10.345 -4.812 0.799 1.00 0.00 C ATOM 59 C GLU A 146 -10.942 -4.146 2.036 1.00 0.00 C ATOM 60 O GLU A 146 -12.150 -4.220 2.272 1.00 0.00 O ATOM 61 CB GLU A 146 -9.039 -5.513 1.185 1.00 0.00 C ATOM 62 CG GLU A 146 -8.225 -6.005 -0.003 1.00 0.00 C ATOM 63 CD GLU A 146 -8.877 -7.160 -0.728 1.00 0.00 C ATOM 64 OE1 GLU A 146 -8.645 -8.318 -0.330 1.00 0.00 O ATOM 65 OE2 GLU A 146 -9.615 -6.919 -1.705 1.00 0.00 O ATOM 0 H GLU A 146 -9.090 -3.678 -0.436 1.00 0.00 H new ATOM 0 HA GLU A 146 -11.068 -5.535 0.421 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -8.429 -4.825 1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -9.271 -6.361 1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -8.078 -5.181 -0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -7.237 -6.311 0.342 1.00 0.00 H new ATOM 72 N ASP A 147 -10.095 -3.491 2.820 1.00 0.00 N ATOM 73 CA ASP A 147 -10.531 -2.848 4.054 1.00 0.00 C ATOM 74 C ASP A 147 -11.250 -1.546 3.735 1.00 0.00 C ATOM 75 O ASP A 147 -12.216 -1.167 4.401 1.00 0.00 O ATOM 76 CB ASP A 147 -9.329 -2.567 4.965 1.00 0.00 C ATOM 77 CG ASP A 147 -8.459 -1.433 4.452 1.00 0.00 C ATOM 78 OD1 ASP A 147 -7.986 -1.514 3.295 1.00 0.00 O ATOM 79 OD2 ASP A 147 -8.278 -0.439 5.188 1.00 0.00 O ATOM 0 H ASP A 147 -9.099 -3.391 2.623 1.00 0.00 H new ATOM 0 HA ASP A 147 -11.215 -3.519 4.573 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -9.686 -2.322 5.965 1.00 0.00 H new ATOM 0 HB3 ASP A 147 -8.726 -3.471 5.054 1.00 0.00 H new ATOM 84 N ARG A 148 -10.765 -0.878 2.702 1.00 0.00 N ATOM 85 CA ARG A 148 -11.314 0.388 2.263 1.00 0.00 C ATOM 86 C ARG A 148 -10.802 0.684 0.861 1.00 0.00 C ATOM 87 O ARG A 148 -11.518 0.516 -0.128 1.00 0.00 O ATOM 88 CB ARG A 148 -10.902 1.501 3.234 1.00 0.00 C ATOM 89 CG ARG A 148 -11.497 2.858 2.915 1.00 0.00 C ATOM 90 CD ARG A 148 -11.088 3.893 3.949 1.00 0.00 C ATOM 91 NE ARG A 148 -9.733 4.391 3.719 1.00 0.00 N ATOM 92 CZ ARG A 148 -8.712 4.226 4.561 1.00 0.00 C ATOM 93 NH1 ARG A 148 -8.860 3.531 5.681 1.00 0.00 N ATOM 94 NH2 ARG A 148 -7.536 4.762 4.275 1.00 0.00 N ATOM 0 H ARG A 148 -9.976 -1.203 2.144 1.00 0.00 H new ATOM 0 HA ARG A 148 -12.403 0.337 2.246 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -11.199 1.215 4.243 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -9.815 1.584 3.233 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -11.169 3.179 1.926 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -12.584 2.783 2.882 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -11.790 4.727 3.925 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -11.149 3.454 4.945 1.00 0.00 H new ATOM 0 HE ARG A 148 -9.556 4.901 2.853 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -9.763 3.115 5.907 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -8.071 3.413 6.316 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -7.415 5.297 3.415 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -6.751 4.640 4.914 1.00 0.00 H new ATOM 108 N TYR A 149 -9.540 1.080 0.792 1.00 0.00 N ATOM 109 CA TYR A 149 -8.858 1.326 -0.470 1.00 0.00 C ATOM 110 C TYR A 149 -7.655 0.403 -0.553 1.00 0.00 C ATOM 111 O TYR A 149 -7.538 -0.538 0.231 1.00 0.00 O ATOM 112 CB TYR A 149 -8.390 2.785 -0.574 1.00 0.00 C ATOM 113 CG TYR A 149 -9.489 3.821 -0.516 1.00 0.00 C ATOM 114 CD1 TYR A 149 -10.816 3.489 -0.748 1.00 0.00 C ATOM 115 CD2 TYR A 149 -9.184 5.144 -0.233 1.00 0.00 C ATOM 116 CE1 TYR A 149 -11.809 4.447 -0.698 1.00 0.00 C ATOM 117 CE2 TYR A 149 -10.169 6.107 -0.183 1.00 0.00 C ATOM 118 CZ TYR A 149 -11.478 5.754 -0.416 1.00 0.00 C ATOM 119 OH TYR A 149 -12.464 6.712 -0.361 1.00 0.00 O ATOM 0 H TYR A 149 -8.957 1.241 1.614 1.00 0.00 H new ATOM 0 HA TYR A 149 -9.550 1.135 -1.290 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -7.685 2.982 0.234 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -7.845 2.909 -1.510 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -11.076 2.465 -0.971 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -8.157 5.424 -0.049 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -12.838 4.174 -0.879 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -9.914 7.133 0.038 1.00 0.00 H new ATOM 0 HH TYR A 149 -12.064 7.581 -0.150 1.00 0.00 H new ATOM 129 N TYR A 150 -6.763 0.668 -1.489 1.00 0.00 N ATOM 130 CA TYR A 150 -5.547 -0.119 -1.639 1.00 0.00 C ATOM 131 C TYR A 150 -4.504 0.228 -0.567 1.00 0.00 C ATOM 132 O TYR A 150 -3.328 0.404 -0.861 1.00 0.00 O ATOM 133 CB TYR A 150 -4.967 0.064 -3.050 1.00 0.00 C ATOM 134 CG TYR A 150 -4.961 1.493 -3.567 1.00 0.00 C ATOM 135 CD1 TYR A 150 -4.955 2.580 -2.704 1.00 0.00 C ATOM 136 CD2 TYR A 150 -4.958 1.749 -4.932 1.00 0.00 C ATOM 137 CE1 TYR A 150 -4.947 3.871 -3.178 1.00 0.00 C ATOM 138 CE2 TYR A 150 -4.950 3.040 -5.417 1.00 0.00 C ATOM 139 CZ TYR A 150 -4.945 4.098 -4.538 1.00 0.00 C ATOM 140 OH TYR A 150 -4.932 5.385 -5.017 1.00 0.00 O ATOM 0 H TYR A 150 -6.857 1.428 -2.163 1.00 0.00 H new ATOM 0 HA TYR A 150 -5.810 -1.168 -1.500 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -3.944 -0.312 -3.056 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -5.538 -0.554 -3.743 1.00 0.00 H new ATOM 0 HD1 TYR A 150 -4.957 2.408 -1.638 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -4.962 0.922 -5.626 1.00 0.00 H new ATOM 0 HE1 TYR A 150 -4.942 4.702 -2.489 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -4.948 3.219 -6.482 1.00 0.00 H new ATOM 0 HH TYR A 150 -4.931 5.369 -5.997 1.00 0.00 H new ATOM 150 N ARG A 151 -4.949 0.332 0.677 1.00 0.00 N ATOM 151 CA ARG A 151 -4.037 0.512 1.805 1.00 0.00 C ATOM 152 C ARG A 151 -3.713 -0.840 2.420 1.00 0.00 C ATOM 153 O ARG A 151 -3.054 -0.918 3.452 1.00 0.00 O ATOM 154 CB ARG A 151 -4.630 1.445 2.873 1.00 0.00 C ATOM 155 CG ARG A 151 -4.676 2.920 2.481 1.00 0.00 C ATOM 156 CD ARG A 151 -5.641 3.189 1.333 1.00 0.00 C ATOM 157 NE ARG A 151 -5.687 4.607 0.972 1.00 0.00 N ATOM 158 CZ ARG A 151 -4.811 5.215 0.170 1.00 0.00 C ATOM 159 NH1 ARG A 151 -3.787 4.542 -0.342 1.00 0.00 N ATOM 160 NH2 ARG A 151 -4.960 6.499 -0.130 1.00 0.00 N ATOM 0 H ARG A 151 -5.935 0.295 0.934 1.00 0.00 H new ATOM 0 HA ARG A 151 -3.125 0.976 1.430 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -5.642 1.113 3.103 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -4.046 1.345 3.788 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -4.971 3.513 3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -3.676 3.248 2.196 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -5.341 2.604 0.464 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -6.640 2.854 1.614 1.00 0.00 H new ATOM 0 HE ARG A 151 -6.443 5.170 1.361 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -3.666 3.553 -0.123 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -3.122 5.014 -0.954 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -5.746 7.024 0.253 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -4.288 6.961 -0.743 1.00 0.00 H new ATOM 174 N GLU A 152 -4.199 -1.896 1.778 1.00 0.00 N ATOM 175 CA GLU A 152 -3.775 -3.250 2.102 1.00 0.00 C ATOM 176 C GLU A 152 -2.331 -3.400 1.641 1.00 0.00 C ATOM 177 O GLU A 152 -1.531 -4.124 2.233 1.00 0.00 O ATOM 178 CB GLU A 152 -4.698 -4.266 1.401 1.00 0.00 C ATOM 179 CG GLU A 152 -4.517 -5.718 1.834 1.00 0.00 C ATOM 180 CD GLU A 152 -3.320 -6.402 1.200 1.00 0.00 C ATOM 181 OE1 GLU A 152 -3.229 -6.416 -0.048 1.00 0.00 O ATOM 182 OE2 GLU A 152 -2.476 -6.944 1.940 1.00 0.00 O ATOM 0 H GLU A 152 -4.889 -1.839 1.029 1.00 0.00 H new ATOM 0 HA GLU A 152 -3.838 -3.439 3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 152 -5.733 -3.977 1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 152 -4.532 -4.201 0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 152 -4.412 -5.753 2.918 1.00 0.00 H new ATOM 0 HG3 GLU A 152 -5.418 -6.277 1.583 1.00 0.00 H new ATOM 189 N ASN A 153 -2.010 -2.657 0.589 1.00 0.00 N ATOM 190 CA ASN A 153 -0.665 -2.603 0.058 1.00 0.00 C ATOM 191 C ASN A 153 -0.103 -1.201 0.284 1.00 0.00 C ATOM 192 O ASN A 153 -0.848 -0.273 0.608 1.00 0.00 O ATOM 193 CB ASN A 153 -0.676 -2.942 -1.441 1.00 0.00 C ATOM 194 CG ASN A 153 0.707 -3.217 -2.004 1.00 0.00 C ATOM 195 OD1 ASN A 153 1.414 -2.307 -2.439 1.00 0.00 O ATOM 196 ND2 ASN A 153 1.094 -4.479 -2.018 1.00 0.00 N ATOM 0 H ASN A 153 -2.680 -2.077 0.084 1.00 0.00 H new ATOM 0 HA ASN A 153 -0.036 -3.333 0.567 1.00 0.00 H new ATOM 0 HB2 ASN A 153 -1.308 -3.815 -1.604 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -1.127 -2.115 -1.990 1.00 0.00 H new ATOM 0 HD21 ASN A 153 2.007 -4.728 -2.398 1.00 0.00 H new ATOM 0 HD22 ASN A 153 0.480 -5.205 -1.648 1.00 0.00 H new ATOM 203 N MET A 154 1.194 -1.040 0.098 1.00 0.00 N ATOM 204 CA MET A 154 1.854 0.241 0.318 1.00 0.00 C ATOM 205 C MET A 154 1.443 1.257 -0.744 1.00 0.00 C ATOM 206 O MET A 154 1.930 1.231 -1.876 1.00 0.00 O ATOM 207 CB MET A 154 3.369 0.033 0.312 1.00 0.00 C ATOM 208 CG MET A 154 4.204 1.296 0.105 1.00 0.00 C ATOM 209 SD MET A 154 4.583 2.192 1.628 1.00 0.00 S ATOM 210 CE MET A 154 2.994 2.902 2.042 1.00 0.00 C ATOM 0 H MET A 154 1.819 -1.786 -0.208 1.00 0.00 H new ATOM 0 HA MET A 154 1.548 0.638 1.286 1.00 0.00 H new ATOM 0 HB2 MET A 154 3.660 -0.423 1.258 1.00 0.00 H new ATOM 0 HB3 MET A 154 3.618 -0.679 -0.475 1.00 0.00 H new ATOM 0 HG2 MET A 154 5.139 1.024 -0.385 1.00 0.00 H new ATOM 0 HG3 MET A 154 3.671 1.963 -0.573 1.00 0.00 H new ATOM 0 HE1 MET A 154 3.137 3.741 2.723 1.00 0.00 H new ATOM 0 HE2 MET A 154 2.504 3.251 1.133 1.00 0.00 H new ATOM 0 HE3 MET A 154 2.372 2.147 2.523 1.00 0.00 H new ATOM 220 N TYR A 155 0.504 2.121 -0.381 1.00 0.00 N ATOM 221 CA TYR A 155 0.066 3.193 -1.270 1.00 0.00 C ATOM 222 C TYR A 155 -0.053 4.514 -0.521 1.00 0.00 C ATOM 223 O TYR A 155 -0.304 5.557 -1.126 1.00 0.00 O ATOM 224 CB TYR A 155 -1.269 2.844 -1.932 1.00 0.00 C ATOM 225 CG TYR A 155 -1.149 1.900 -3.107 1.00 0.00 C ATOM 226 CD1 TYR A 155 -0.947 2.388 -4.390 1.00 0.00 C ATOM 227 CD2 TYR A 155 -1.248 0.525 -2.938 1.00 0.00 C ATOM 228 CE1 TYR A 155 -0.847 1.535 -5.469 1.00 0.00 C ATOM 229 CE2 TYR A 155 -1.150 -0.335 -4.013 1.00 0.00 C ATOM 230 CZ TYR A 155 -0.951 0.174 -5.275 1.00 0.00 C ATOM 231 OH TYR A 155 -0.852 -0.678 -6.353 1.00 0.00 O ATOM 0 H TYR A 155 0.030 2.102 0.522 1.00 0.00 H new ATOM 0 HA TYR A 155 0.822 3.304 -2.047 1.00 0.00 H new ATOM 0 HB2 TYR A 155 -1.926 2.396 -1.186 1.00 0.00 H new ATOM 0 HB3 TYR A 155 -1.747 3.764 -2.267 1.00 0.00 H new ATOM 0 HD1 TYR A 155 -0.867 3.454 -4.546 1.00 0.00 H new ATOM 0 HD2 TYR A 155 -1.404 0.122 -1.948 1.00 0.00 H new ATOM 0 HE1 TYR A 155 -0.688 1.931 -6.461 1.00 0.00 H new ATOM 0 HE2 TYR A 155 -1.229 -1.402 -3.864 1.00 0.00 H new ATOM 0 HH TYR A 155 -0.945 -1.604 -6.047 1.00 0.00 H new ATOM 241 N ALA A 156 0.120 4.465 0.796 1.00 0.00 N ATOM 242 CA ALA A 156 0.042 5.661 1.625 1.00 0.00 C ATOM 243 C ALA A 156 0.507 5.375 3.044 1.00 0.00 C ATOM 244 O ALA A 156 1.501 5.925 3.514 1.00 0.00 O ATOM 245 CB ALA A 156 -1.376 6.219 1.641 1.00 0.00 C ATOM 0 H ALA A 156 0.316 3.607 1.312 1.00 0.00 H new ATOM 0 HA ALA A 156 0.706 6.408 1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -1.409 7.111 2.266 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -1.677 6.476 0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -2.058 5.469 2.043 1.00 0.00 H new ATOM 251 N TYR A 157 -0.215 4.492 3.709 1.00 0.00 N ATOM 252 CA TYR A 157 0.017 4.205 5.116 1.00 0.00 C ATOM 253 C TYR A 157 0.971 3.026 5.352 1.00 0.00 C ATOM 254 O TYR A 157 2.005 3.193 5.994 1.00 0.00 O ATOM 255 CB TYR A 157 -1.312 3.930 5.811 1.00 0.00 C ATOM 256 CG TYR A 157 -1.848 5.101 6.599 1.00 0.00 C ATOM 257 CD1 TYR A 157 -2.595 6.097 5.982 1.00 0.00 C ATOM 258 CD2 TYR A 157 -1.606 5.213 7.962 1.00 0.00 C ATOM 259 CE1 TYR A 157 -3.085 7.171 6.701 1.00 0.00 C ATOM 260 CE2 TYR A 157 -2.094 6.282 8.687 1.00 0.00 C ATOM 261 CZ TYR A 157 -2.832 7.258 8.054 1.00 0.00 C ATOM 262 OH TYR A 157 -3.318 8.326 8.778 1.00 0.00 O ATOM 0 H TYR A 157 -0.976 3.955 3.293 1.00 0.00 H new ATOM 0 HA TYR A 157 0.498 5.088 5.536 1.00 0.00 H new ATOM 0 HB2 TYR A 157 -2.049 3.642 5.062 1.00 0.00 H new ATOM 0 HB3 TYR A 157 -1.190 3.079 6.482 1.00 0.00 H new ATOM 0 HD1 TYR A 157 -2.796 6.031 4.923 1.00 0.00 H new ATOM 0 HD2 TYR A 157 -1.027 4.452 8.463 1.00 0.00 H new ATOM 0 HE1 TYR A 157 -3.663 7.938 6.206 1.00 0.00 H new ATOM 0 HE2 TYR A 157 -1.898 6.353 9.747 1.00 0.00 H new ATOM 0 HH TYR A 157 -3.051 8.234 9.716 1.00 0.00 H new ATOM 272 N PRO A 158 0.642 1.816 4.859 1.00 0.00 N ATOM 273 CA PRO A 158 1.394 0.602 5.194 1.00 0.00 C ATOM 274 C PRO A 158 2.758 0.519 4.519 1.00 0.00 C ATOM 275 O PRO A 158 2.912 -0.142 3.495 1.00 0.00 O ATOM 276 CB PRO A 158 0.486 -0.513 4.693 1.00 0.00 C ATOM 277 CG PRO A 158 -0.219 0.099 3.541 1.00 0.00 C ATOM 278 CD PRO A 158 -0.471 1.520 3.934 1.00 0.00 C ATOM 0 HA PRO A 158 1.622 0.558 6.259 1.00 0.00 H new ATOM 0 HB2 PRO A 158 1.058 -1.391 4.392 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -0.213 -0.837 5.464 1.00 0.00 H new ATOM 0 HG2 PRO A 158 0.386 0.044 2.636 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -1.153 -0.422 3.331 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -0.464 2.184 3.070 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -1.440 1.638 4.419 1.00 0.00 H new ATOM 286 N ASN A 159 3.735 1.210 5.084 1.00 0.00 N ATOM 287 CA ASN A 159 5.107 1.112 4.609 1.00 0.00 C ATOM 288 C ASN A 159 5.675 -0.260 4.947 1.00 0.00 C ATOM 289 O ASN A 159 6.042 -1.030 4.060 1.00 0.00 O ATOM 290 CB ASN A 159 5.980 2.225 5.211 1.00 0.00 C ATOM 291 CG ASN A 159 5.705 2.469 6.684 1.00 0.00 C ATOM 292 OD1 ASN A 159 6.254 1.793 7.555 1.00 0.00 O ATOM 293 ND2 ASN A 159 4.856 3.441 6.968 1.00 0.00 N ATOM 0 H ASN A 159 3.604 1.845 5.872 1.00 0.00 H new ATOM 0 HA ASN A 159 5.109 1.238 3.526 1.00 0.00 H new ATOM 0 HB2 ASN A 159 7.030 1.964 5.082 1.00 0.00 H new ATOM 0 HB3 ASN A 159 5.811 3.149 4.658 1.00 0.00 H new ATOM 0 HD21 ASN A 159 4.633 3.656 7.940 1.00 0.00 H new ATOM 0 HD22 ASN A 159 4.424 3.977 6.215 1.00 0.00 H new ATOM 300 N GLN A 160 5.735 -0.562 6.233 1.00 0.00 N ATOM 301 CA GLN A 160 6.146 -1.877 6.693 1.00 0.00 C ATOM 302 C GLN A 160 5.264 -2.347 7.839 1.00 0.00 C ATOM 303 O GLN A 160 4.977 -3.531 7.952 1.00 0.00 O ATOM 304 CB GLN A 160 7.609 -1.864 7.147 1.00 0.00 C ATOM 305 CG GLN A 160 8.618 -1.664 6.022 1.00 0.00 C ATOM 306 CD GLN A 160 8.797 -2.887 5.128 1.00 0.00 C ATOM 307 OE1 GLN A 160 9.884 -3.126 4.612 1.00 0.00 O ATOM 308 NE2 GLN A 160 7.740 -3.664 4.926 1.00 0.00 N ATOM 0 H GLN A 160 5.502 0.091 6.981 1.00 0.00 H new ATOM 0 HA GLN A 160 6.041 -2.567 5.856 1.00 0.00 H new ATOM 0 HB2 GLN A 160 7.741 -1.070 7.882 1.00 0.00 H new ATOM 0 HB3 GLN A 160 7.828 -2.805 7.652 1.00 0.00 H new ATOM 0 HG2 GLN A 160 8.301 -0.821 5.408 1.00 0.00 H new ATOM 0 HG3 GLN A 160 9.582 -1.398 6.455 1.00 0.00 H new ATOM 0 HE21 GLN A 160 6.849 -3.439 5.369 1.00 0.00 H new ATOM 0 HE22 GLN A 160 7.818 -4.486 4.328 1.00 0.00 H new ATOM 317 N VAL A 161 4.777 -1.403 8.640 1.00 0.00 N ATOM 318 CA VAL A 161 4.120 -1.729 9.906 1.00 0.00 C ATOM 319 C VAL A 161 2.772 -2.414 9.690 1.00 0.00 C ATOM 320 O VAL A 161 2.416 -3.334 10.417 1.00 0.00 O ATOM 321 CB VAL A 161 3.904 -0.461 10.758 1.00 0.00 C ATOM 322 CG1 VAL A 161 3.535 -0.830 12.185 1.00 0.00 C ATOM 323 CG2 VAL A 161 5.141 0.421 10.737 1.00 0.00 C ATOM 0 H VAL A 161 4.824 -0.405 8.436 1.00 0.00 H new ATOM 0 HA VAL A 161 4.782 -2.418 10.431 1.00 0.00 H new ATOM 0 HB VAL A 161 3.077 0.102 10.324 1.00 0.00 H new ATOM 0 HG11 VAL A 161 3.387 0.078 12.769 1.00 0.00 H new ATOM 0 HG12 VAL A 161 2.615 -1.414 12.183 1.00 0.00 H new ATOM 0 HG13 VAL A 161 4.338 -1.419 12.628 1.00 0.00 H new ATOM 0 HG21 VAL A 161 4.965 1.309 11.344 1.00 0.00 H new ATOM 0 HG22 VAL A 161 5.989 -0.132 11.140 1.00 0.00 H new ATOM 0 HG23 VAL A 161 5.357 0.720 9.711 1.00 0.00 H new ATOM 333 N TYR A 162 2.030 -1.971 8.688 1.00 0.00 N ATOM 334 CA TYR A 162 0.736 -2.575 8.385 1.00 0.00 C ATOM 335 C TYR A 162 0.878 -3.508 7.198 1.00 0.00 C ATOM 336 O TYR A 162 -0.103 -4.038 6.680 1.00 0.00 O ATOM 337 CB TYR A 162 -0.302 -1.501 8.050 1.00 0.00 C ATOM 338 CG TYR A 162 -0.223 -0.282 8.932 1.00 0.00 C ATOM 339 CD1 TYR A 162 0.628 0.761 8.607 1.00 0.00 C ATOM 340 CD2 TYR A 162 -0.990 -0.174 10.081 1.00 0.00 C ATOM 341 CE1 TYR A 162 0.715 1.881 9.399 1.00 0.00 C ATOM 342 CE2 TYR A 162 -0.912 0.945 10.883 1.00 0.00 C ATOM 343 CZ TYR A 162 -0.058 1.971 10.540 1.00 0.00 C ATOM 344 OH TYR A 162 0.020 3.086 11.339 1.00 0.00 O ATOM 0 H TYR A 162 2.296 -1.202 8.073 1.00 0.00 H new ATOM 0 HA TYR A 162 0.402 -3.128 9.263 1.00 0.00 H new ATOM 0 HB2 TYR A 162 -0.173 -1.196 7.012 1.00 0.00 H new ATOM 0 HB3 TYR A 162 -1.299 -1.934 8.133 1.00 0.00 H new ATOM 0 HD1 TYR A 162 1.234 0.693 7.716 1.00 0.00 H new ATOM 0 HD2 TYR A 162 -1.658 -0.978 10.352 1.00 0.00 H new ATOM 0 HE1 TYR A 162 1.384 2.686 9.131 1.00 0.00 H new ATOM 0 HE2 TYR A 162 -1.517 1.017 11.775 1.00 0.00 H new ATOM 0 HH TYR A 162 -0.590 2.987 12.099 1.00 0.00 H new ATOM 354 N TYR A 163 2.112 -3.689 6.767 1.00 0.00 N ATOM 355 CA TYR A 163 2.387 -4.438 5.560 1.00 0.00 C ATOM 356 C TYR A 163 2.959 -5.818 5.878 1.00 0.00 C ATOM 357 O TYR A 163 2.519 -6.822 5.321 1.00 0.00 O ATOM 358 CB TYR A 163 3.351 -3.651 4.666 1.00 0.00 C ATOM 359 CG TYR A 163 3.554 -4.267 3.302 1.00 0.00 C ATOM 360 CD1 TYR A 163 2.574 -4.163 2.324 1.00 0.00 C ATOM 361 CD2 TYR A 163 4.718 -4.957 2.996 1.00 0.00 C ATOM 362 CE1 TYR A 163 2.747 -4.730 1.079 1.00 0.00 C ATOM 363 CE2 TYR A 163 4.898 -5.530 1.753 1.00 0.00 C ATOM 364 CZ TYR A 163 3.910 -5.414 0.798 1.00 0.00 C ATOM 365 OH TYR A 163 4.083 -5.993 -0.440 1.00 0.00 O ATOM 0 H TYR A 163 2.941 -3.326 7.238 1.00 0.00 H new ATOM 0 HA TYR A 163 1.446 -4.586 5.029 1.00 0.00 H new ATOM 0 HB2 TYR A 163 2.973 -2.636 4.544 1.00 0.00 H new ATOM 0 HB3 TYR A 163 4.316 -3.573 5.167 1.00 0.00 H new ATOM 0 HD1 TYR A 163 1.661 -3.629 2.542 1.00 0.00 H new ATOM 0 HD2 TYR A 163 5.495 -5.047 3.741 1.00 0.00 H new ATOM 0 HE1 TYR A 163 1.976 -4.639 0.329 1.00 0.00 H new ATOM 0 HE2 TYR A 163 5.808 -6.067 1.530 1.00 0.00 H new ATOM 0 HH TYR A 163 4.957 -6.435 -0.475 1.00 0.00 H new ATOM 375 N ARG A 164 3.937 -5.873 6.774 1.00 0.00 N ATOM 376 CA ARG A 164 4.606 -7.133 7.067 1.00 0.00 C ATOM 377 C ARG A 164 4.083 -7.758 8.371 1.00 0.00 C ATOM 378 O ARG A 164 3.553 -8.870 8.342 1.00 0.00 O ATOM 379 CB ARG A 164 6.128 -6.945 7.101 1.00 0.00 C ATOM 380 CG ARG A 164 6.900 -8.250 7.195 1.00 0.00 C ATOM 381 CD ARG A 164 6.580 -9.167 6.026 1.00 0.00 C ATOM 382 NE ARG A 164 6.899 -8.550 4.736 1.00 0.00 N ATOM 383 CZ ARG A 164 6.247 -8.809 3.603 1.00 0.00 C ATOM 384 NH1 ARG A 164 5.186 -9.606 3.603 1.00 0.00 N ATOM 385 NH2 ARG A 164 6.642 -8.244 2.473 1.00 0.00 N ATOM 0 H ARG A 164 4.280 -5.072 7.303 1.00 0.00 H new ATOM 0 HA ARG A 164 4.374 -7.832 6.263 1.00 0.00 H new ATOM 0 HB2 ARG A 164 6.440 -6.412 6.203 1.00 0.00 H new ATOM 0 HB3 ARG A 164 6.389 -6.316 7.952 1.00 0.00 H new ATOM 0 HG2 ARG A 164 7.970 -8.042 7.214 1.00 0.00 H new ATOM 0 HG3 ARG A 164 6.656 -8.752 8.131 1.00 0.00 H new ATOM 0 HD2 ARG A 164 7.140 -10.096 6.131 1.00 0.00 H new ATOM 0 HD3 ARG A 164 5.522 -9.428 6.050 1.00 0.00 H new ATOM 0 HE ARG A 164 7.668 -7.881 4.703 1.00 0.00 H new ATOM 0 HH11 ARG A 164 4.863 -10.026 4.475 1.00 0.00 H new ATOM 0 HH12 ARG A 164 4.693 -9.799 2.731 1.00 0.00 H new ATOM 0 HH21 ARG A 164 7.443 -7.613 2.471 1.00 0.00 H new ATOM 0 HH22 ARG A 164 6.145 -8.440 1.604 1.00 0.00 H new ATOM 399 N PRO A 165 4.222 -7.083 9.536 1.00 0.00 N ATOM 400 CA PRO A 165 3.652 -7.585 10.781 1.00 0.00 C ATOM 401 C PRO A 165 2.155 -7.315 10.863 1.00 0.00 C ATOM 402 O PRO A 165 1.567 -6.727 9.949 1.00 0.00 O ATOM 403 CB PRO A 165 4.404 -6.804 11.860 1.00 0.00 C ATOM 404 CG PRO A 165 4.754 -5.514 11.212 1.00 0.00 C ATOM 405 CD PRO A 165 4.943 -5.812 9.747 1.00 0.00 C ATOM 0 HA PRO A 165 3.757 -8.665 10.880 1.00 0.00 H new ATOM 0 HB2 PRO A 165 3.783 -6.649 12.743 1.00 0.00 H new ATOM 0 HB3 PRO A 165 5.296 -7.338 12.187 1.00 0.00 H new ATOM 0 HG2 PRO A 165 3.964 -4.778 11.360 1.00 0.00 H new ATOM 0 HG3 PRO A 165 5.663 -5.096 11.644 1.00 0.00 H new ATOM 0 HD2 PRO A 165 4.536 -5.016 9.124 1.00 0.00 H new ATOM 0 HD3 PRO A 165 5.999 -5.907 9.494 1.00 0.00 H new ATOM 413 N VAL A 166 1.543 -7.747 11.952 1.00 0.00 N ATOM 414 CA VAL A 166 0.121 -7.522 12.157 1.00 0.00 C ATOM 415 C VAL A 166 -0.154 -6.045 12.415 1.00 0.00 C ATOM 416 O VAL A 166 0.521 -5.406 13.222 1.00 0.00 O ATOM 417 CB VAL A 166 -0.450 -8.376 13.315 1.00 0.00 C ATOM 418 CG1 VAL A 166 -0.410 -9.852 12.957 1.00 0.00 C ATOM 419 CG2 VAL A 166 0.300 -8.121 14.616 1.00 0.00 C ATOM 0 H VAL A 166 2.006 -8.254 12.706 1.00 0.00 H new ATOM 0 HA VAL A 166 -0.384 -7.831 11.242 1.00 0.00 H new ATOM 0 HB VAL A 166 -1.488 -8.081 13.467 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -0.815 -10.438 13.782 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -1.007 -10.026 12.062 1.00 0.00 H new ATOM 0 HG13 VAL A 166 0.621 -10.153 12.770 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -0.126 -8.736 15.408 1.00 0.00 H new ATOM 0 HG22 VAL A 166 1.352 -8.375 14.485 1.00 0.00 H new ATOM 0 HG23 VAL A 166 0.212 -7.069 14.887 1.00 0.00 H new ATOM 429 N CYS A 167 -1.129 -5.508 11.703 1.00 0.00 N ATOM 430 CA CYS A 167 -1.475 -4.099 11.814 1.00 0.00 C ATOM 431 C CYS A 167 -2.183 -3.804 13.134 1.00 0.00 C ATOM 432 O CYS A 167 -1.525 -3.263 14.047 1.00 0.00 O ATOM 433 CB CYS A 167 -2.337 -3.681 10.620 1.00 0.00 C ATOM 434 SG CYS A 167 -3.574 -4.909 10.139 1.00 0.00 S ATOM 435 OXT CYS A 167 -3.382 -4.134 13.265 1.00 0.00 O ATOM 0 H CYS A 167 -1.699 -6.029 11.037 1.00 0.00 H new ATOM 0 HA CYS A 167 -0.555 -3.514 11.804 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -2.843 -2.746 10.860 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -1.687 -3.482 9.768 1.00 0.00 H new ATOM 0 HG CYS A 167 -4.254 -4.465 9.124 1.00 0.00 H new TER 441 CYS A 167