USER MOD reduce.3.24.130724 H: found=0, std=0, add=229, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 233 hydrogens (6 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 NoAdj-H: A 181 HSL H2 : A 181 HSL N : A 180 ARG C :(H bumps) USER MOD NoAdj-H: A 181 HSL H : A 181 HSL N : A 180 ARG C :(H bumps) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 158 SER OG : rot 140:sc=-0.00216 USER MOD Single : A 175 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 155 -5.532 1.273 -0.882 1.00 0.00 N ATOM 2 CA PHE A 155 -5.643 -0.104 -1.430 1.00 0.00 C ATOM 3 C PHE A 155 -4.461 -0.433 -2.339 1.00 0.00 C ATOM 4 O PHE A 155 -3.429 0.235 -2.290 1.00 0.00 O ATOM 5 CB PHE A 155 -6.956 -0.214 -2.199 1.00 0.00 C ATOM 6 CG PHE A 155 -7.773 -1.416 -1.819 1.00 0.00 C ATOM 7 CD1 PHE A 155 -8.342 -1.514 -0.560 1.00 0.00 C ATOM 8 CD2 PHE A 155 -7.972 -2.447 -2.723 1.00 0.00 C ATOM 9 CE1 PHE A 155 -9.094 -2.619 -0.208 1.00 0.00 C ATOM 10 CE2 PHE A 155 -8.723 -3.555 -2.376 1.00 0.00 C ATOM 11 CZ PHE A 155 -9.284 -3.640 -1.118 1.00 0.00 C ATOM 0 HA PHE A 155 -5.630 -0.822 -0.610 1.00 0.00 H new ATOM 0 HB2 PHE A 155 -7.546 0.686 -2.026 1.00 0.00 H new ATOM 0 HB3 PHE A 155 -6.741 -0.254 -3.267 1.00 0.00 H new ATOM 0 HD1 PHE A 155 -8.196 -0.718 0.155 1.00 0.00 H new ATOM 0 HD2 PHE A 155 -7.536 -2.385 -3.709 1.00 0.00 H new ATOM 0 HE1 PHE A 155 -9.532 -2.684 0.777 1.00 0.00 H new ATOM 0 HE2 PHE A 155 -8.870 -4.353 -3.089 1.00 0.00 H new ATOM 0 HZ PHE A 155 -9.871 -4.504 -0.845 1.00 0.00 H new ATOM 23 N LEU A 156 -4.621 -1.464 -3.165 1.00 0.00 N ATOM 24 CA LEU A 156 -3.570 -1.884 -4.082 1.00 0.00 C ATOM 25 C LEU A 156 -4.127 -2.748 -5.212 1.00 0.00 C ATOM 26 O LEU A 156 -3.395 -3.526 -5.825 1.00 0.00 O ATOM 27 CB LEU A 156 -2.494 -2.665 -3.327 1.00 0.00 C ATOM 28 CG LEU A 156 -1.576 -1.821 -2.445 1.00 0.00 C ATOM 29 CD1 LEU A 156 -0.498 -2.688 -1.819 1.00 0.00 C ATOM 30 CD2 LEU A 156 -0.956 -0.695 -3.256 1.00 0.00 C ATOM 0 H LEU A 156 -5.472 -2.024 -3.216 1.00 0.00 H new ATOM 0 HA LEU A 156 -3.134 -0.986 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 156 -2.982 -3.414 -2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 156 -1.882 -3.202 -4.051 1.00 0.00 H new ATOM 0 HG LEU A 156 -2.169 -1.382 -1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 156 0.147 -2.071 -1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 156 -0.963 -3.462 -1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 156 0.096 -3.154 -2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 156 -0.304 -0.101 -2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 156 -0.374 -1.115 -4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 156 -1.745 -0.060 -3.659 1.00 0.00 H new ATOM 42 N GLN A 157 -5.418 -2.599 -5.496 1.00 0.00 N ATOM 43 CA GLN A 157 -6.054 -3.357 -6.563 1.00 0.00 C ATOM 44 C GLN A 157 -5.651 -2.797 -7.921 1.00 0.00 C ATOM 45 O GLN A 157 -5.632 -3.512 -8.922 1.00 0.00 O ATOM 46 CB GLN A 157 -7.576 -3.325 -6.411 1.00 0.00 C ATOM 47 CG GLN A 157 -8.283 -4.462 -7.132 1.00 0.00 C ATOM 48 CD GLN A 157 -9.429 -3.982 -7.999 1.00 0.00 C ATOM 49 OE1 GLN A 157 -10.598 -4.144 -7.650 1.00 0.00 O ATOM 50 NE2 GLN A 157 -9.098 -3.385 -9.138 1.00 0.00 N ATOM 0 H GLN A 157 -6.041 -1.961 -5.002 1.00 0.00 H new ATOM 0 HA GLN A 157 -5.720 -4.392 -6.496 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -7.828 -3.365 -5.351 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -7.951 -2.375 -6.792 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -7.563 -4.997 -7.752 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -8.662 -5.173 -6.397 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -8.116 -3.272 -9.388 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -9.826 -3.039 -9.763 1.00 0.00 H new ATOM 59 N SER A 158 -5.333 -1.505 -7.942 1.00 0.00 N ATOM 60 CA SER A 158 -4.933 -0.835 -9.171 1.00 0.00 C ATOM 61 C SER A 158 -3.480 -1.140 -9.544 1.00 0.00 C ATOM 62 O SER A 158 -2.935 -0.536 -10.467 1.00 0.00 O ATOM 63 CB SER A 158 -5.134 0.674 -9.037 1.00 0.00 C ATOM 64 OG SER A 158 -6.237 1.112 -9.813 1.00 0.00 O ATOM 0 H SER A 158 -5.345 -0.903 -7.119 1.00 0.00 H new ATOM 0 HA SER A 158 -5.565 -1.217 -9.973 1.00 0.00 H new ATOM 0 HB2 SER A 158 -5.297 0.931 -7.990 1.00 0.00 H new ATOM 0 HB3 SER A 158 -4.231 1.194 -9.356 1.00 0.00 H new ATOM 0 HG SER A 158 -6.741 1.787 -9.313 1.00 0.00 H new ATOM 70 N ASP A 159 -2.855 -2.077 -8.827 1.00 0.00 N ATOM 71 CA ASP A 159 -1.465 -2.460 -9.088 1.00 0.00 C ATOM 72 C ASP A 159 -0.472 -1.466 -8.480 1.00 0.00 C ATOM 73 O ASP A 159 0.735 -1.703 -8.504 1.00 0.00 O ATOM 74 CB ASP A 159 -1.212 -2.594 -10.594 1.00 0.00 C ATOM 75 CG ASP A 159 -0.412 -3.835 -10.937 1.00 0.00 C ATOM 76 OD1 ASP A 159 -1.023 -4.916 -11.076 1.00 0.00 O ATOM 77 OD2 ASP A 159 0.826 -3.727 -11.067 1.00 0.00 O ATOM 0 H ASP A 159 -3.291 -2.586 -8.058 1.00 0.00 H new ATOM 0 HA ASP A 159 -1.306 -3.427 -8.610 1.00 0.00 H new ATOM 0 HB2 ASP A 159 -2.167 -2.624 -11.119 1.00 0.00 H new ATOM 0 HB3 ASP A 159 -0.680 -1.712 -10.950 1.00 0.00 H new ATOM 82 N VAL A 160 -0.978 -0.358 -7.940 1.00 0.00 N ATOM 83 CA VAL A 160 -0.132 0.666 -7.330 1.00 0.00 C ATOM 84 C VAL A 160 0.425 1.605 -8.397 1.00 0.00 C ATOM 85 O VAL A 160 0.249 2.822 -8.321 1.00 0.00 O ATOM 86 CB VAL A 160 1.014 0.044 -6.474 1.00 0.00 C ATOM 87 CG1 VAL A 160 2.386 0.205 -7.123 1.00 0.00 C ATOM 88 CG2 VAL A 160 1.017 0.649 -5.078 1.00 0.00 C ATOM 0 H VAL A 160 -1.975 -0.146 -7.913 1.00 0.00 H new ATOM 0 HA VAL A 160 -0.756 1.246 -6.650 1.00 0.00 H new ATOM 0 HB VAL A 160 0.817 -1.026 -6.407 1.00 0.00 H new ATOM 0 HG11 VAL A 160 3.146 -0.246 -6.484 1.00 0.00 H new ATOM 0 HG12 VAL A 160 2.389 -0.289 -8.095 1.00 0.00 H new ATOM 0 HG13 VAL A 160 2.604 1.265 -7.254 1.00 0.00 H new ATOM 0 HG21 VAL A 160 1.822 0.206 -4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 160 1.170 1.726 -5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 160 0.062 0.449 -4.593 1.00 0.00 H new ATOM 98 N PHE A 161 1.084 1.031 -9.401 1.00 0.00 N ATOM 99 CA PHE A 161 1.651 1.809 -10.497 1.00 0.00 C ATOM 100 C PHE A 161 0.571 2.217 -11.498 1.00 0.00 C ATOM 101 O PHE A 161 0.832 2.293 -12.698 1.00 0.00 O ATOM 102 CB PHE A 161 2.740 1.006 -11.209 1.00 0.00 C ATOM 103 CG PHE A 161 3.842 0.547 -10.297 1.00 0.00 C ATOM 104 CD1 PHE A 161 4.740 1.456 -9.762 1.00 0.00 C ATOM 105 CD2 PHE A 161 3.978 -0.793 -9.976 1.00 0.00 C ATOM 106 CE1 PHE A 161 5.755 1.036 -8.923 1.00 0.00 C ATOM 107 CE2 PHE A 161 4.991 -1.219 -9.137 1.00 0.00 C ATOM 108 CZ PHE A 161 5.880 -0.304 -8.611 1.00 0.00 C ATOM 0 H PHE A 161 1.238 0.026 -9.477 1.00 0.00 H new ATOM 0 HA PHE A 161 2.089 2.713 -10.075 1.00 0.00 H new ATOM 0 HB2 PHE A 161 2.286 0.136 -11.684 1.00 0.00 H new ATOM 0 HB3 PHE A 161 3.168 1.616 -12.004 1.00 0.00 H new ATOM 0 HD1 PHE A 161 4.646 2.505 -10.003 1.00 0.00 H new ATOM 0 HD2 PHE A 161 3.285 -1.513 -10.385 1.00 0.00 H new ATOM 0 HE1 PHE A 161 6.449 1.754 -8.512 1.00 0.00 H new ATOM 0 HE2 PHE A 161 5.086 -2.267 -8.894 1.00 0.00 H new ATOM 0 HZ PHE A 161 6.673 -0.635 -7.956 1.00 0.00 H new ATOM 118 N PHE A 162 -0.637 2.477 -11.003 1.00 0.00 N ATOM 119 CA PHE A 162 -1.748 2.871 -11.864 1.00 0.00 C ATOM 120 C PHE A 162 -2.915 3.420 -11.054 1.00 0.00 C ATOM 121 O PHE A 162 -3.776 4.111 -11.599 1.00 0.00 O ATOM 122 CB PHE A 162 -2.242 1.689 -12.691 1.00 0.00 C ATOM 123 CG PHE A 162 -1.344 1.325 -13.840 1.00 0.00 C ATOM 124 CD1 PHE A 162 -1.290 2.118 -14.975 1.00 0.00 C ATOM 125 CD2 PHE A 162 -0.552 0.190 -13.783 1.00 0.00 C ATOM 126 CE1 PHE A 162 -0.464 1.785 -16.031 1.00 0.00 C ATOM 127 CE2 PHE A 162 0.276 -0.149 -14.835 1.00 0.00 C ATOM 128 CZ PHE A 162 0.321 0.650 -15.962 1.00 0.00 C ATOM 0 H PHE A 162 -0.871 2.422 -10.012 1.00 0.00 H new ATOM 0 HA PHE A 162 -1.372 3.652 -12.525 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -2.349 0.822 -12.039 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -3.234 1.920 -13.079 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -1.901 3.007 -15.035 1.00 0.00 H new ATOM 0 HD2 PHE A 162 -0.582 -0.438 -12.905 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -0.432 2.412 -16.910 1.00 0.00 H new ATOM 0 HE2 PHE A 162 0.888 -1.037 -14.777 1.00 0.00 H new ATOM 0 HZ PHE A 162 0.968 0.388 -16.786 1.00 0.00 H new ATOM 138 N LEU A 163 -2.945 3.135 -9.754 1.00 0.00 N ATOM 139 CA LEU A 163 -4.015 3.633 -8.911 1.00 0.00 C ATOM 140 C LEU A 163 -4.008 5.147 -8.977 1.00 0.00 C ATOM 141 O LEU A 163 -5.056 5.786 -9.078 1.00 0.00 O ATOM 142 CB LEU A 163 -3.825 3.162 -7.466 1.00 0.00 C ATOM 143 CG LEU A 163 -4.870 3.671 -6.470 1.00 0.00 C ATOM 144 CD1 LEU A 163 -6.275 3.494 -7.026 1.00 0.00 C ATOM 145 CD2 LEU A 163 -4.729 2.949 -5.138 1.00 0.00 C ATOM 0 H LEU A 163 -2.247 2.569 -9.272 1.00 0.00 H new ATOM 0 HA LEU A 163 -4.972 3.248 -9.263 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -3.834 2.072 -7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -2.839 3.477 -7.125 1.00 0.00 H new ATOM 0 HG LEU A 163 -4.699 4.735 -6.308 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -7.002 3.862 -6.302 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -6.372 4.055 -7.955 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -6.459 2.437 -7.220 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -5.479 3.322 -4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -4.873 1.879 -5.287 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -3.734 3.128 -4.731 1.00 0.00 H new ATOM 157 N PHE A 164 -2.805 5.709 -8.957 1.00 0.00 N ATOM 158 CA PHE A 164 -2.621 7.151 -9.055 1.00 0.00 C ATOM 159 C PHE A 164 -3.217 7.898 -7.854 1.00 0.00 C ATOM 160 O PHE A 164 -2.779 9.003 -7.529 1.00 0.00 O ATOM 161 CB PHE A 164 -3.219 7.641 -10.384 1.00 0.00 C ATOM 162 CG PHE A 164 -4.448 8.502 -10.247 1.00 0.00 C ATOM 163 CD1 PHE A 164 -4.346 9.815 -9.816 1.00 0.00 C ATOM 164 CD2 PHE A 164 -5.701 7.996 -10.551 1.00 0.00 C ATOM 165 CE1 PHE A 164 -5.471 10.608 -9.691 1.00 0.00 C ATOM 166 CE2 PHE A 164 -6.830 8.785 -10.428 1.00 0.00 C ATOM 167 CZ PHE A 164 -6.714 10.092 -9.998 1.00 0.00 C ATOM 0 H PHE A 164 -1.936 5.182 -8.873 1.00 0.00 H new ATOM 0 HA PHE A 164 -1.553 7.369 -9.038 1.00 0.00 H new ATOM 0 HB2 PHE A 164 -2.457 8.204 -10.923 1.00 0.00 H new ATOM 0 HB3 PHE A 164 -3.467 6.774 -10.996 1.00 0.00 H new ATOM 0 HD1 PHE A 164 -3.376 10.224 -9.575 1.00 0.00 H new ATOM 0 HD2 PHE A 164 -5.797 6.974 -10.888 1.00 0.00 H new ATOM 0 HE1 PHE A 164 -5.378 11.630 -9.354 1.00 0.00 H new ATOM 0 HE2 PHE A 164 -7.802 8.379 -10.668 1.00 0.00 H new ATOM 0 HZ PHE A 164 -7.595 10.710 -9.902 1.00 0.00 H new ATOM 177 N LEU A 165 -4.210 7.303 -7.201 1.00 0.00 N ATOM 178 CA LEU A 165 -4.845 7.928 -6.047 1.00 0.00 C ATOM 179 C LEU A 165 -3.883 8.009 -4.868 1.00 0.00 C ATOM 180 O LEU A 165 -3.467 9.095 -4.464 1.00 0.00 O ATOM 181 CB LEU A 165 -6.099 7.153 -5.638 1.00 0.00 C ATOM 182 CG LEU A 165 -7.422 7.779 -6.084 1.00 0.00 C ATOM 183 CD1 LEU A 165 -7.415 8.032 -7.583 1.00 0.00 C ATOM 184 CD2 LEU A 165 -8.591 6.886 -5.700 1.00 0.00 C ATOM 0 H LEU A 165 -4.592 6.391 -7.451 1.00 0.00 H new ATOM 0 HA LEU A 165 -5.129 8.941 -6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -6.035 6.145 -6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -6.109 7.055 -4.552 1.00 0.00 H new ATOM 0 HG LEU A 165 -7.538 8.736 -5.575 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -8.364 8.477 -7.881 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -6.601 8.712 -7.833 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -7.275 7.088 -8.111 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -9.523 7.347 -6.025 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -8.480 5.914 -6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -8.609 6.755 -4.618 1.00 0.00 H new ATOM 196 N LEU A 166 -3.541 6.850 -4.315 1.00 0.00 N ATOM 197 CA LEU A 166 -2.639 6.783 -3.176 1.00 0.00 C ATOM 198 C LEU A 166 -2.094 5.368 -3.021 1.00 0.00 C ATOM 199 O LEU A 166 -2.798 4.480 -2.546 1.00 0.00 O ATOM 200 CB LEU A 166 -3.378 7.207 -1.905 1.00 0.00 C ATOM 201 CG LEU A 166 -2.771 8.404 -1.169 1.00 0.00 C ATOM 202 CD1 LEU A 166 -3.864 9.259 -0.548 1.00 0.00 C ATOM 203 CD2 LEU A 166 -1.793 7.932 -0.104 1.00 0.00 C ATOM 0 H LEU A 166 -3.877 5.943 -4.640 1.00 0.00 H new ATOM 0 HA LEU A 166 -1.803 7.462 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -4.409 7.445 -2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -3.410 6.358 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 166 -2.228 9.013 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -3.413 10.105 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -4.528 9.625 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -4.435 8.660 0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -1.370 8.795 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -2.315 7.301 0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -0.992 7.361 -0.573 1.00 0.00 H new ATOM 215 N PRO A 167 -0.839 5.128 -3.436 1.00 0.00 N ATOM 216 CA PRO A 167 -0.224 3.809 -3.353 1.00 0.00 C ATOM 217 C PRO A 167 0.445 3.540 -2.007 1.00 0.00 C ATOM 218 O PRO A 167 1.584 3.949 -1.780 1.00 0.00 O ATOM 219 CB PRO A 167 0.820 3.861 -4.457 1.00 0.00 C ATOM 220 CG PRO A 167 1.256 5.289 -4.493 1.00 0.00 C ATOM 221 CD PRO A 167 0.074 6.116 -4.043 1.00 0.00 C ATOM 0 HA PRO A 167 -0.959 3.011 -3.456 1.00 0.00 H new ATOM 0 HB2 PRO A 167 1.657 3.196 -4.244 1.00 0.00 H new ATOM 0 HB3 PRO A 167 0.401 3.550 -5.414 1.00 0.00 H new ATOM 0 HG2 PRO A 167 2.112 5.449 -3.837 1.00 0.00 H new ATOM 0 HG3 PRO A 167 1.567 5.573 -5.498 1.00 0.00 H new ATOM 0 HD2 PRO A 167 0.371 6.880 -3.324 1.00 0.00 H new ATOM 0 HD3 PRO A 167 -0.395 6.632 -4.881 1.00 0.00 H new ATOM 229 N PRO A 168 -0.249 2.830 -1.101 1.00 0.00 N ATOM 230 CA PRO A 168 0.292 2.487 0.222 1.00 0.00 C ATOM 231 C PRO A 168 1.498 1.557 0.112 1.00 0.00 C ATOM 232 O PRO A 168 1.408 0.368 0.420 1.00 0.00 O ATOM 233 CB PRO A 168 -0.874 1.766 0.905 1.00 0.00 C ATOM 234 CG PRO A 168 -1.697 1.246 -0.224 1.00 0.00 C ATOM 235 CD PRO A 168 -1.605 2.290 -1.294 1.00 0.00 C ATOM 0 HA PRO A 168 0.643 3.363 0.767 1.00 0.00 H new ATOM 0 HB2 PRO A 168 -0.522 0.958 1.546 1.00 0.00 H new ATOM 0 HB3 PRO A 168 -1.447 2.445 1.535 1.00 0.00 H new ATOM 0 HG2 PRO A 168 -1.319 0.287 -0.577 1.00 0.00 H new ATOM 0 HG3 PRO A 168 -2.731 1.088 0.083 1.00 0.00 H new ATOM 0 HD2 PRO A 168 -1.733 1.863 -2.289 1.00 0.00 H new ATOM 0 HD3 PRO A 168 -2.368 3.059 -1.176 1.00 0.00 H new ATOM 243 N ILE A 169 2.619 2.104 -0.342 1.00 0.00 N ATOM 244 CA ILE A 169 3.837 1.326 -0.510 1.00 0.00 C ATOM 245 C ILE A 169 4.532 1.070 0.822 1.00 0.00 C ATOM 246 O ILE A 169 5.105 0.008 1.035 1.00 0.00 O ATOM 247 CB ILE A 169 4.813 2.038 -1.473 1.00 0.00 C ATOM 248 CG1 ILE A 169 5.644 1.012 -2.244 1.00 0.00 C ATOM 249 CG2 ILE A 169 5.719 3.010 -0.725 1.00 0.00 C ATOM 250 CD1 ILE A 169 4.880 0.330 -3.358 1.00 0.00 C ATOM 0 H ILE A 169 2.708 3.087 -0.601 1.00 0.00 H new ATOM 0 HA ILE A 169 3.546 0.365 -0.935 1.00 0.00 H new ATOM 0 HB ILE A 169 4.222 2.615 -2.185 1.00 0.00 H new ATOM 0 HG12 ILE A 169 6.519 1.507 -2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 169 6.009 0.256 -1.549 1.00 0.00 H new ATOM 0 HG21 ILE A 169 6.394 3.495 -1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 169 5.110 3.765 -0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 169 6.301 2.466 0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 169 5.531 -0.384 -3.862 1.00 0.00 H new ATOM 0 HD12 ILE A 169 4.020 -0.194 -2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 169 4.538 1.077 -4.075 1.00 0.00 H new ATOM 262 N ILE A 170 4.491 2.068 1.696 1.00 0.00 N ATOM 263 CA ILE A 170 5.133 1.988 3.008 1.00 0.00 C ATOM 264 C ILE A 170 4.369 1.083 3.969 1.00 0.00 C ATOM 265 O ILE A 170 4.947 0.178 4.571 1.00 0.00 O ATOM 266 CB ILE A 170 5.280 3.381 3.646 1.00 0.00 C ATOM 267 CG1 ILE A 170 5.697 4.416 2.598 1.00 0.00 C ATOM 268 CG2 ILE A 170 6.286 3.337 4.786 1.00 0.00 C ATOM 269 CD1 ILE A 170 6.918 4.017 1.797 1.00 0.00 C ATOM 0 H ILE A 170 4.015 2.953 1.520 1.00 0.00 H new ATOM 0 HA ILE A 170 6.120 1.560 2.835 1.00 0.00 H new ATOM 0 HB ILE A 170 4.312 3.679 4.050 1.00 0.00 H new ATOM 0 HG12 ILE A 170 4.864 4.583 1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 170 5.895 5.365 3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 170 6.379 4.329 5.227 1.00 0.00 H new ATOM 0 HG22 ILE A 170 5.945 2.633 5.545 1.00 0.00 H new ATOM 0 HG23 ILE A 170 7.255 3.017 4.404 1.00 0.00 H new ATOM 0 HD11 ILE A 170 7.152 4.800 1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 170 7.765 3.879 2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 170 6.718 3.085 1.269 1.00 0.00 H new ATOM 281 N LEU A 171 3.071 1.320 4.115 1.00 0.00 N ATOM 282 CA LEU A 171 2.258 0.503 5.007 1.00 0.00 C ATOM 283 C LEU A 171 2.227 -0.926 4.486 1.00 0.00 C ATOM 284 O LEU A 171 2.482 -1.880 5.220 1.00 0.00 O ATOM 285 CB LEU A 171 0.837 1.063 5.108 1.00 0.00 C ATOM 286 CG LEU A 171 0.708 2.376 5.883 1.00 0.00 C ATOM 287 CD1 LEU A 171 1.361 2.255 7.253 1.00 0.00 C ATOM 288 CD2 LEU A 171 1.325 3.523 5.096 1.00 0.00 C ATOM 0 H LEU A 171 2.564 2.062 3.633 1.00 0.00 H new ATOM 0 HA LEU A 171 2.697 0.517 6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 171 0.451 1.215 4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 171 0.202 0.315 5.583 1.00 0.00 H new ATOM 0 HG LEU A 171 -0.352 2.588 6.026 1.00 0.00 H new ATOM 0 HD11 LEU A 171 1.259 3.198 7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 171 0.874 1.461 7.819 1.00 0.00 H new ATOM 0 HD13 LEU A 171 2.418 2.018 7.133 1.00 0.00 H new ATOM 0 HD21 LEU A 171 1.224 4.449 5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 171 2.381 3.318 4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 171 0.812 3.625 4.140 1.00 0.00 H new ATOM 300 N ASP A 172 1.937 -1.054 3.201 1.00 0.00 N ATOM 301 CA ASP A 172 1.899 -2.351 2.544 1.00 0.00 C ATOM 302 C ASP A 172 3.313 -2.883 2.301 1.00 0.00 C ATOM 303 O ASP A 172 3.486 -4.006 1.827 1.00 0.00 O ATOM 304 CB ASP A 172 1.140 -2.259 1.219 1.00 0.00 C ATOM 305 CG ASP A 172 0.404 -3.543 0.889 1.00 0.00 C ATOM 306 OD1 ASP A 172 1.070 -4.524 0.496 1.00 0.00 O ATOM 307 OD2 ASP A 172 -0.837 -3.568 1.022 1.00 0.00 O ATOM 0 H ASP A 172 1.723 -0.268 2.588 1.00 0.00 H new ATOM 0 HA ASP A 172 1.377 -3.045 3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 172 0.427 -1.436 1.267 1.00 0.00 H new ATOM 0 HB3 ASP A 172 1.840 -2.027 0.417 1.00 0.00 H new ATOM 312 N ALA A 173 4.326 -2.076 2.633 1.00 0.00 N ATOM 313 CA ALA A 173 5.712 -2.487 2.450 1.00 0.00 C ATOM 314 C ALA A 173 6.081 -3.526 3.496 1.00 0.00 C ATOM 315 O ALA A 173 6.283 -4.700 3.186 1.00 0.00 O ATOM 316 CB ALA A 173 6.651 -1.290 2.549 1.00 0.00 C ATOM 0 H ALA A 173 4.209 -1.142 3.027 1.00 0.00 H new ATOM 0 HA ALA A 173 5.817 -2.921 1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 173 7.680 -1.622 2.409 1.00 0.00 H new ATOM 0 HB2 ALA A 173 6.396 -0.563 1.778 1.00 0.00 H new ATOM 0 HB3 ALA A 173 6.549 -0.828 3.531 1.00 0.00 H new ATOM 322 N GLY A 174 6.142 -3.079 4.742 1.00 0.00 N ATOM 323 CA GLY A 174 6.460 -3.967 5.841 1.00 0.00 C ATOM 324 C GLY A 174 5.361 -3.989 6.889 1.00 0.00 C ATOM 325 O GLY A 174 5.394 -4.813 7.799 1.00 0.00 O ATOM 0 H GLY A 174 5.976 -2.110 5.012 1.00 0.00 H new ATOM 0 HA2 GLY A 174 6.617 -4.976 5.459 1.00 0.00 H new ATOM 0 HA3 GLY A 174 7.396 -3.652 6.303 1.00 0.00 H new ATOM 329 N TYR A 175 4.388 -3.078 6.744 1.00 0.00 N ATOM 330 CA TYR A 175 3.246 -2.948 7.657 1.00 0.00 C ATOM 331 C TYR A 175 3.681 -2.746 9.111 1.00 0.00 C ATOM 332 O TYR A 175 3.258 -1.789 9.759 1.00 0.00 O ATOM 333 CB TYR A 175 2.283 -4.141 7.545 1.00 0.00 C ATOM 334 CG TYR A 175 2.905 -5.425 7.040 1.00 0.00 C ATOM 335 CD1 TYR A 175 3.156 -5.611 5.686 1.00 0.00 C ATOM 336 CD2 TYR A 175 3.234 -6.452 7.916 1.00 0.00 C ATOM 337 CE1 TYR A 175 3.719 -6.784 5.220 1.00 0.00 C ATOM 338 CE2 TYR A 175 3.799 -7.627 7.457 1.00 0.00 C ATOM 339 CZ TYR A 175 4.040 -7.787 6.109 1.00 0.00 C ATOM 340 OH TYR A 175 4.600 -8.956 5.649 1.00 0.00 O ATOM 0 H TYR A 175 4.373 -2.403 5.979 1.00 0.00 H new ATOM 0 HA TYR A 175 2.712 -2.050 7.345 1.00 0.00 H new ATOM 0 HB2 TYR A 175 1.847 -4.329 8.526 1.00 0.00 H new ATOM 0 HB3 TYR A 175 1.465 -3.866 6.879 1.00 0.00 H new ATOM 0 HD1 TYR A 175 2.907 -4.826 4.987 1.00 0.00 H new ATOM 0 HD2 TYR A 175 3.045 -6.330 8.972 1.00 0.00 H new ATOM 0 HE1 TYR A 175 3.906 -6.914 4.164 1.00 0.00 H new ATOM 0 HE2 TYR A 175 4.050 -8.416 8.151 1.00 0.00 H new ATOM 0 HH TYR A 175 4.766 -9.558 6.404 1.00 0.00 H new ATOM 350 N PHE A 176 4.522 -3.637 9.616 1.00 0.00 N ATOM 351 CA PHE A 176 5.007 -3.542 10.988 1.00 0.00 C ATOM 352 C PHE A 176 6.298 -2.723 11.051 1.00 0.00 C ATOM 353 O PHE A 176 6.810 -2.442 12.135 1.00 0.00 O ATOM 354 CB PHE A 176 5.237 -4.947 11.559 1.00 0.00 C ATOM 355 CG PHE A 176 6.048 -4.969 12.827 1.00 0.00 C ATOM 356 CD1 PHE A 176 5.569 -4.377 13.984 1.00 0.00 C ATOM 357 CD2 PHE A 176 7.290 -5.584 12.857 1.00 0.00 C ATOM 358 CE1 PHE A 176 6.315 -4.399 15.148 1.00 0.00 C ATOM 359 CE2 PHE A 176 8.039 -5.609 14.017 1.00 0.00 C ATOM 360 CZ PHE A 176 7.551 -5.015 15.164 1.00 0.00 C ATOM 0 H PHE A 176 4.884 -4.436 9.096 1.00 0.00 H new ATOM 0 HA PHE A 176 4.253 -3.034 11.589 1.00 0.00 H new ATOM 0 HB2 PHE A 176 4.270 -5.413 11.750 1.00 0.00 H new ATOM 0 HB3 PHE A 176 5.741 -5.555 10.808 1.00 0.00 H new ATOM 0 HD1 PHE A 176 4.603 -3.893 13.977 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.677 -6.049 11.962 1.00 0.00 H new ATOM 0 HE1 PHE A 176 5.931 -3.935 16.044 1.00 0.00 H new ATOM 0 HE2 PHE A 176 9.005 -6.092 14.027 1.00 0.00 H new ATOM 0 HZ PHE A 176 8.135 -5.032 16.072 1.00 0.00 H new ATOM 370 N LEU A 177 6.814 -2.331 9.885 1.00 0.00 N ATOM 371 CA LEU A 177 8.035 -1.536 9.820 1.00 0.00 C ATOM 372 C LEU A 177 7.927 -0.297 10.710 1.00 0.00 C ATOM 373 O LEU A 177 8.822 -0.022 11.507 1.00 0.00 O ATOM 374 CB LEU A 177 8.326 -1.123 8.374 1.00 0.00 C ATOM 375 CG LEU A 177 9.096 -2.155 7.552 1.00 0.00 C ATOM 376 CD1 LEU A 177 9.062 -1.797 6.075 1.00 0.00 C ATOM 377 CD2 LEU A 177 10.532 -2.261 8.044 1.00 0.00 C ATOM 0 H LEU A 177 6.405 -2.552 8.977 1.00 0.00 H new ATOM 0 HA LEU A 177 8.859 -2.150 10.184 1.00 0.00 H new ATOM 0 HB2 LEU A 177 7.380 -0.914 7.874 1.00 0.00 H new ATOM 0 HB3 LEU A 177 8.893 -0.192 8.385 1.00 0.00 H new ATOM 0 HG LEU A 177 8.615 -3.125 7.679 1.00 0.00 H new ATOM 0 HD11 LEU A 177 9.616 -2.544 5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 177 8.028 -1.772 5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 177 9.517 -0.818 5.927 1.00 0.00 H new ATOM 0 HD21 LEU A 177 11.067 -3.000 7.448 1.00 0.00 H new ATOM 0 HD22 LEU A 177 11.022 -1.292 7.946 1.00 0.00 H new ATOM 0 HD23 LEU A 177 10.537 -2.566 9.090 1.00 0.00 H new ATOM 389 N PRO A 178 6.820 0.465 10.586 1.00 0.00 N ATOM 390 CA PRO A 178 6.587 1.675 11.387 1.00 0.00 C ATOM 391 C PRO A 178 6.883 1.467 12.871 1.00 0.00 C ATOM 392 O PRO A 178 5.977 1.227 13.669 1.00 0.00 O ATOM 393 CB PRO A 178 5.097 1.943 11.174 1.00 0.00 C ATOM 394 CG PRO A 178 4.815 1.407 9.816 1.00 0.00 C ATOM 395 CD PRO A 178 5.701 0.203 9.656 1.00 0.00 C ATOM 0 HA PRO A 178 7.238 2.496 11.086 1.00 0.00 H new ATOM 0 HB2 PRO A 178 4.492 1.445 11.931 1.00 0.00 H new ATOM 0 HB3 PRO A 178 4.872 3.008 11.236 1.00 0.00 H new ATOM 0 HG2 PRO A 178 3.764 1.135 9.714 1.00 0.00 H new ATOM 0 HG3 PRO A 178 5.027 2.153 9.050 1.00 0.00 H new ATOM 0 HD2 PRO A 178 5.176 -0.717 9.911 1.00 0.00 H new ATOM 0 HD3 PRO A 178 6.050 0.097 8.629 1.00 0.00 H new ATOM 403 N LEU A 179 8.158 1.571 13.233 1.00 0.00 N ATOM 404 CA LEU A 179 8.580 1.405 14.619 1.00 0.00 C ATOM 405 C LEU A 179 8.657 2.760 15.307 1.00 0.00 C ATOM 406 O LEU A 179 7.934 3.026 16.267 1.00 0.00 O ATOM 407 CB LEU A 179 9.939 0.707 14.684 1.00 0.00 C ATOM 408 CG LEU A 179 10.138 -0.214 15.890 1.00 0.00 C ATOM 409 CD1 LEU A 179 10.216 0.599 17.173 1.00 0.00 C ATOM 410 CD2 LEU A 179 9.014 -1.235 15.972 1.00 0.00 C ATOM 0 H LEU A 179 8.919 1.770 12.583 1.00 0.00 H new ATOM 0 HA LEU A 179 7.846 0.786 15.134 1.00 0.00 H new ATOM 0 HB2 LEU A 179 10.074 0.123 13.774 1.00 0.00 H new ATOM 0 HB3 LEU A 179 10.720 1.467 14.694 1.00 0.00 H new ATOM 0 HG LEU A 179 11.079 -0.749 15.764 1.00 0.00 H new ATOM 0 HD11 LEU A 179 10.358 -0.072 18.021 1.00 0.00 H new ATOM 0 HD12 LEU A 179 11.055 1.292 17.114 1.00 0.00 H new ATOM 0 HD13 LEU A 179 9.291 1.160 17.305 1.00 0.00 H new ATOM 0 HD21 LEU A 179 9.172 -1.881 16.835 1.00 0.00 H new ATOM 0 HD22 LEU A 179 8.060 -0.718 16.075 1.00 0.00 H new ATOM 0 HD23 LEU A 179 9.004 -1.838 15.064 1.00 0.00 H new ATOM 422 N ARG A 180 9.529 3.620 14.794 1.00 0.00 N ATOM 423 CA ARG A 180 9.691 4.960 15.341 1.00 0.00 C ATOM 424 C ARG A 180 8.690 5.907 14.692 1.00 0.00 C ATOM 425 O ARG A 180 9.003 7.065 14.410 1.00 0.00 O ATOM 426 CB ARG A 180 11.119 5.463 15.111 1.00 0.00 C ATOM 427 CG ARG A 180 11.466 5.676 13.645 1.00 0.00 C ATOM 428 CD ARG A 180 12.080 4.430 13.025 1.00 0.00 C ATOM 429 NE ARG A 180 11.190 3.809 12.046 1.00 0.00 N ATOM 430 CZ ARG A 180 11.606 3.005 11.069 1.00 0.00 C ATOM 431 NH1 ARG A 180 12.895 2.714 10.941 1.00 0.00 N ATOM 432 NH2 ARG A 180 10.728 2.488 10.220 1.00 0.00 N ATOM 0 H ARG A 180 10.134 3.412 14.000 1.00 0.00 H new ATOM 0 HA ARG A 180 9.506 4.926 16.415 1.00 0.00 H new ATOM 0 HB2 ARG A 180 11.254 6.402 15.647 1.00 0.00 H new ATOM 0 HB3 ARG A 180 11.820 4.747 15.540 1.00 0.00 H new ATOM 0 HG2 ARG A 180 10.566 5.951 13.094 1.00 0.00 H new ATOM 0 HG3 ARG A 180 12.163 6.509 13.553 1.00 0.00 H new ATOM 0 HD2 ARG A 180 13.022 4.692 12.543 1.00 0.00 H new ATOM 0 HD3 ARG A 180 12.312 3.711 13.811 1.00 0.00 H new ATOM 0 HE ARG A 180 10.191 4.003 12.115 1.00 0.00 H new ATOM 0 HH11 ARG A 180 13.574 3.107 11.593 1.00 0.00 H new ATOM 0 HH12 ARG A 180 13.207 2.098 10.190 1.00 0.00 H new ATOM 0 HH21 ARG A 180 9.736 2.706 10.316 1.00 0.00 H new ATOM 0 HH22 ARG A 180 11.044 1.872 9.471 1.00 0.00 H new HETATM 446 N HSL A 181 7.443 5.362 14.453 1.00 0.00 N HETATM 447 CA HSL A 181 6.371 6.116 13.839 1.00 0.00 C HETATM 448 C HSL A 181 5.171 6.265 14.764 1.00 0.00 C HETATM 449 O HSL A 181 5.081 6.975 15.736 1.00 0.00 O HETATM 450 CB HSL A 181 5.776 5.450 12.605 1.00 0.00 C HETATM 451 CG HSL A 181 4.554 4.748 13.179 1.00 0.00 C HETATM 452 OD HSL A 181 4.184 5.464 14.331 1.00 0.00 O HETATM 0 HG3 HSL A 181 3.740 4.732 12.454 1.00 0.00 H new HETATM 0 HG2 HSL A 181 4.782 3.711 13.424 1.00 0.00 H new HETATM 0 HB3 HSL A 181 5.506 6.177 11.840 1.00 0.00 H new HETATM 0 HB2 HSL A 181 6.471 4.747 12.146 1.00 0.00 H new HETATM 0 HA HSL A 181 6.853 7.063 13.595 1.00 0.00 H new TER 459 HSL A 181