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= -0.383 X(o=-0.38,f=-0.38) USER MOD Single : A 158 SER OG : rot 26:sc= 0.367 USER MOD Single : A 175 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 155 -5.019 5.337 -18.431 1.00 0.00 N ATOM 2 CA PHE A 155 -4.099 4.503 -17.614 1.00 0.00 C ATOM 3 C PHE A 155 -4.059 4.983 -16.165 1.00 0.00 C ATOM 4 O PHE A 155 -4.322 6.151 -15.880 1.00 0.00 O ATOM 5 CB PHE A 155 -2.700 4.571 -18.231 1.00 0.00 C ATOM 6 CG PHE A 155 -2.260 5.966 -18.575 1.00 0.00 C ATOM 7 CD1 PHE A 155 -1.740 6.804 -17.601 1.00 0.00 C ATOM 8 CD2 PHE A 155 -2.365 6.439 -19.874 1.00 0.00 C ATOM 9 CE1 PHE A 155 -1.335 8.087 -17.915 1.00 0.00 C ATOM 10 CE2 PHE A 155 -1.961 7.722 -20.193 1.00 0.00 C ATOM 11 CZ PHE A 155 -1.445 8.547 -19.213 1.00 0.00 C ATOM 0 HA PHE A 155 -4.458 3.474 -17.610 1.00 0.00 H new ATOM 0 HB2 PHE A 155 -1.984 4.135 -17.535 1.00 0.00 H new ATOM 0 HB3 PHE A 155 -2.680 3.960 -19.133 1.00 0.00 H new ATOM 0 HD1 PHE A 155 -1.650 6.450 -16.585 1.00 0.00 H new ATOM 0 HD2 PHE A 155 -2.767 5.798 -20.645 1.00 0.00 H new ATOM 0 HE1 PHE A 155 -0.933 8.730 -17.146 1.00 0.00 H new ATOM 0 HE2 PHE A 155 -2.049 8.079 -21.208 1.00 0.00 H new ATOM 0 HZ PHE A 155 -1.128 9.549 -19.461 1.00 0.00 H new ATOM 23 N LEU A 156 -3.726 4.072 -15.256 1.00 0.00 N ATOM 24 CA LEU A 156 -3.649 4.401 -13.839 1.00 0.00 C ATOM 25 C LEU A 156 -2.418 5.253 -13.550 1.00 0.00 C ATOM 26 O LEU A 156 -1.665 5.596 -14.462 1.00 0.00 O ATOM 27 CB LEU A 156 -3.613 3.122 -12.999 1.00 0.00 C ATOM 28 CG LEU A 156 -2.408 2.213 -13.244 1.00 0.00 C ATOM 29 CD1 LEU A 156 -1.179 2.751 -12.530 1.00 0.00 C ATOM 30 CD2 LEU A 156 -2.710 0.795 -12.785 1.00 0.00 C ATOM 0 H LEU A 156 -3.505 3.101 -15.476 1.00 0.00 H new ATOM 0 HA LEU A 156 -4.537 4.974 -13.572 1.00 0.00 H new ATOM 0 HB2 LEU A 156 -3.630 3.399 -11.945 1.00 0.00 H new ATOM 0 HB3 LEU A 156 -4.522 2.553 -13.194 1.00 0.00 H new ATOM 0 HG LEU A 156 -2.204 2.195 -14.315 1.00 0.00 H new ATOM 0 HD11 LEU A 156 -0.332 2.091 -12.716 1.00 0.00 H new ATOM 0 HD12 LEU A 156 -0.950 3.749 -12.903 1.00 0.00 H new ATOM 0 HD13 LEU A 156 -1.373 2.799 -11.458 1.00 0.00 H new ATOM 0 HD21 LEU A 156 -1.842 0.161 -12.967 1.00 0.00 H new ATOM 0 HD22 LEU A 156 -2.940 0.799 -11.720 1.00 0.00 H new ATOM 0 HD23 LEU A 156 -3.565 0.407 -13.339 1.00 0.00 H new ATOM 42 N GLN A 157 -2.214 5.591 -12.282 1.00 0.00 N ATOM 43 CA GLN A 157 -1.068 6.404 -11.887 1.00 0.00 C ATOM 44 C GLN A 157 -0.882 6.406 -10.372 1.00 0.00 C ATOM 45 O GLN A 157 -0.331 7.350 -9.805 1.00 0.00 O ATOM 46 CB GLN A 157 -1.235 7.840 -12.395 1.00 0.00 C ATOM 47 CG GLN A 157 -0.375 8.166 -13.606 1.00 0.00 C ATOM 48 CD GLN A 157 1.087 7.821 -13.396 1.00 0.00 C ATOM 49 OE1 GLN A 157 1.727 8.319 -12.469 1.00 0.00 O ATOM 50 NE2 GLN A 157 1.624 6.966 -14.259 1.00 0.00 N ATOM 0 H GLN A 157 -2.824 5.316 -11.512 1.00 0.00 H new ATOM 0 HA GLN A 157 -0.178 5.964 -12.337 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -2.282 8.006 -12.649 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -0.989 8.532 -11.589 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -0.752 7.621 -14.471 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -0.464 9.228 -13.835 1.00 0.00 H new ATOM 0 HE21 GLN A 157 1.056 6.578 -15.012 1.00 0.00 H new ATOM 0 HE22 GLN A 157 2.604 6.698 -14.168 1.00 0.00 H new ATOM 59 N SER A 158 -1.334 5.340 -9.726 1.00 0.00 N ATOM 60 CA SER A 158 -1.210 5.210 -8.282 1.00 0.00 C ATOM 61 C SER A 158 -1.549 3.784 -7.855 1.00 0.00 C ATOM 62 O SER A 158 -2.147 3.555 -6.803 1.00 0.00 O ATOM 63 CB SER A 158 -2.106 6.241 -7.580 1.00 0.00 C ATOM 64 OG SER A 158 -2.714 5.709 -6.416 1.00 0.00 O ATOM 0 H SER A 158 -1.791 4.550 -10.182 1.00 0.00 H new ATOM 0 HA SER A 158 -0.180 5.410 -7.987 1.00 0.00 H new ATOM 0 HB2 SER A 158 -1.512 7.115 -7.312 1.00 0.00 H new ATOM 0 HB3 SER A 158 -2.879 6.580 -8.270 1.00 0.00 H new ATOM 0 HG SER A 158 -2.160 4.983 -6.060 1.00 0.00 H new ATOM 70 N ASP A 159 -1.156 2.826 -8.695 1.00 0.00 N ATOM 71 CA ASP A 159 -1.400 1.404 -8.440 1.00 0.00 C ATOM 72 C ASP A 159 -2.808 0.977 -8.855 1.00 0.00 C ATOM 73 O ASP A 159 -3.021 -0.177 -9.226 1.00 0.00 O ATOM 74 CB ASP A 159 -1.167 1.069 -6.964 1.00 0.00 C ATOM 75 CG ASP A 159 -0.539 -0.299 -6.773 1.00 0.00 C ATOM 76 OD1 ASP A 159 0.241 -0.723 -7.653 1.00 0.00 O ATOM 77 OD2 ASP A 159 -0.827 -0.947 -5.746 1.00 0.00 O ATOM 0 H ASP A 159 -0.662 3.011 -9.568 1.00 0.00 H new ATOM 0 HA ASP A 159 -0.690 0.847 -9.051 1.00 0.00 H new ATOM 0 HB2 ASP A 159 -0.522 1.827 -6.520 1.00 0.00 H new ATOM 0 HB3 ASP A 159 -2.117 1.107 -6.431 1.00 0.00 H new ATOM 82 N VAL A 160 -3.771 1.896 -8.782 1.00 0.00 N ATOM 83 CA VAL A 160 -5.162 1.596 -9.144 1.00 0.00 C ATOM 84 C VAL A 160 -5.874 0.894 -7.990 1.00 0.00 C ATOM 85 O VAL A 160 -6.988 1.263 -7.617 1.00 0.00 O ATOM 86 CB VAL A 160 -5.258 0.751 -10.445 1.00 0.00 C ATOM 87 CG1 VAL A 160 -5.653 -0.694 -10.161 1.00 0.00 C ATOM 88 CG2 VAL A 160 -6.235 1.387 -11.423 1.00 0.00 C ATOM 0 H VAL A 160 -3.616 2.856 -8.475 1.00 0.00 H new ATOM 0 HA VAL A 160 -5.660 2.545 -9.340 1.00 0.00 H new ATOM 0 HB VAL A 160 -4.265 0.735 -10.895 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -5.708 -1.247 -11.099 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -4.908 -1.154 -9.511 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -6.626 -0.715 -9.670 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -6.290 0.782 -12.328 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -7.222 1.445 -10.965 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -5.894 2.390 -11.677 1.00 0.00 H new ATOM 98 N PHE A 161 -5.204 -0.096 -7.404 1.00 0.00 N ATOM 99 CA PHE A 161 -5.742 -0.823 -6.264 1.00 0.00 C ATOM 100 C PHE A 161 -5.654 0.044 -5.010 1.00 0.00 C ATOM 101 O PHE A 161 -5.824 -0.437 -3.891 1.00 0.00 O ATOM 102 CB PHE A 161 -4.976 -2.130 -6.052 1.00 0.00 C ATOM 103 CG PHE A 161 -5.572 -3.008 -4.990 1.00 0.00 C ATOM 104 CD1 PHE A 161 -6.912 -3.359 -5.037 1.00 0.00 C ATOM 105 CD2 PHE A 161 -4.795 -3.481 -3.947 1.00 0.00 C ATOM 106 CE1 PHE A 161 -7.463 -4.168 -4.063 1.00 0.00 C ATOM 107 CE2 PHE A 161 -5.341 -4.290 -2.969 1.00 0.00 C ATOM 108 CZ PHE A 161 -6.678 -4.634 -3.027 1.00 0.00 C ATOM 0 H PHE A 161 -4.282 -0.412 -7.705 1.00 0.00 H new ATOM 0 HA PHE A 161 -6.787 -1.063 -6.463 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -4.945 -2.680 -6.992 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -3.945 -1.898 -5.784 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -7.532 -2.996 -5.844 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -3.750 -3.215 -3.897 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -8.508 -4.436 -4.112 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -4.724 -4.653 -2.160 1.00 0.00 H new ATOM 0 HZ PHE A 161 -7.108 -5.266 -2.264 1.00 0.00 H new ATOM 118 N PHE A 162 -5.376 1.328 -5.219 1.00 0.00 N ATOM 119 CA PHE A 162 -5.247 2.281 -4.135 1.00 0.00 C ATOM 120 C PHE A 162 -5.413 3.712 -4.648 1.00 0.00 C ATOM 121 O PHE A 162 -5.250 4.672 -3.894 1.00 0.00 O ATOM 122 CB PHE A 162 -3.890 2.135 -3.465 1.00 0.00 C ATOM 123 CG PHE A 162 -3.718 0.843 -2.716 1.00 0.00 C ATOM 124 CD1 PHE A 162 -4.537 0.534 -1.642 1.00 0.00 C ATOM 125 CD2 PHE A 162 -2.735 -0.061 -3.087 1.00 0.00 C ATOM 126 CE1 PHE A 162 -4.378 -0.652 -0.951 1.00 0.00 C ATOM 127 CE2 PHE A 162 -2.572 -1.249 -2.400 1.00 0.00 C ATOM 128 CZ PHE A 162 -3.394 -1.545 -1.330 1.00 0.00 C ATOM 0 H PHE A 162 -5.235 1.731 -6.145 1.00 0.00 H new ATOM 0 HA PHE A 162 -6.033 2.075 -3.408 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -3.111 2.211 -4.224 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -3.745 2.966 -2.775 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -5.308 1.228 -1.342 1.00 0.00 H new ATOM 0 HD2 PHE A 162 -2.089 0.166 -3.922 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -5.022 -0.881 -0.115 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -1.803 -1.945 -2.699 1.00 0.00 H new ATOM 0 HZ PHE A 162 -3.268 -2.472 -0.791 1.00 0.00 H new ATOM 138 N LEU A 163 -5.798 3.845 -5.924 1.00 0.00 N ATOM 139 CA LEU A 163 -6.056 5.150 -6.519 1.00 0.00 C ATOM 140 C LEU A 163 -7.305 5.733 -5.882 1.00 0.00 C ATOM 141 O LEU A 163 -7.716 6.856 -6.172 1.00 0.00 O ATOM 142 CB LEU A 163 -6.280 5.005 -8.021 1.00 0.00 C ATOM 143 CG LEU A 163 -5.146 5.523 -8.900 1.00 0.00 C ATOM 144 CD1 LEU A 163 -5.242 4.929 -10.298 1.00 0.00 C ATOM 145 CD2 LEU A 163 -5.168 7.043 -8.957 1.00 0.00 C ATOM 0 H LEU A 163 -5.936 3.060 -6.560 1.00 0.00 H new ATOM 0 HA LEU A 163 -5.201 5.805 -6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -6.442 3.951 -8.248 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -7.195 5.533 -8.288 1.00 0.00 H new ATOM 0 HG LEU A 163 -4.198 5.212 -8.461 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -4.425 5.309 -10.912 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -5.175 3.843 -10.237 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -6.195 5.209 -10.748 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -4.352 7.395 -9.588 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -6.119 7.378 -9.372 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -5.049 7.447 -7.951 1.00 0.00 H new ATOM 157 N PHE A 164 -7.907 4.922 -5.026 1.00 0.00 N ATOM 158 CA PHE A 164 -9.132 5.286 -4.334 1.00 0.00 C ATOM 159 C PHE A 164 -8.885 6.350 -3.265 1.00 0.00 C ATOM 160 O PHE A 164 -9.832 6.902 -2.707 1.00 0.00 O ATOM 161 CB PHE A 164 -9.723 4.036 -3.682 1.00 0.00 C ATOM 162 CG PHE A 164 -11.199 3.883 -3.901 1.00 0.00 C ATOM 163 CD1 PHE A 164 -11.729 3.907 -5.180 1.00 0.00 C ATOM 164 CD2 PHE A 164 -12.059 3.716 -2.826 1.00 0.00 C ATOM 165 CE1 PHE A 164 -13.088 3.766 -5.385 1.00 0.00 C ATOM 166 CE2 PHE A 164 -13.418 3.575 -3.025 1.00 0.00 C ATOM 167 CZ PHE A 164 -13.933 3.601 -4.306 1.00 0.00 C ATOM 0 H PHE A 164 -7.559 3.992 -4.792 1.00 0.00 H new ATOM 0 HA PHE A 164 -9.826 5.704 -5.064 1.00 0.00 H new ATOM 0 HB2 PHE A 164 -9.213 3.156 -4.075 1.00 0.00 H new ATOM 0 HB3 PHE A 164 -9.525 4.067 -2.611 1.00 0.00 H new ATOM 0 HD1 PHE A 164 -11.072 4.037 -6.027 1.00 0.00 H new ATOM 0 HD2 PHE A 164 -11.661 3.696 -1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 164 -13.489 3.785 -6.388 1.00 0.00 H new ATOM 0 HE2 PHE A 164 -14.077 3.445 -2.180 1.00 0.00 H new ATOM 0 HZ PHE A 164 -14.996 3.492 -4.464 1.00 0.00 H new ATOM 177 N LEU A 165 -7.616 6.643 -2.989 1.00 0.00 N ATOM 178 CA LEU A 165 -7.269 7.649 -1.991 1.00 0.00 C ATOM 179 C LEU A 165 -5.762 7.857 -1.924 1.00 0.00 C ATOM 180 O LEU A 165 -5.255 8.929 -2.257 1.00 0.00 O ATOM 181 CB LEU A 165 -7.793 7.238 -0.614 1.00 0.00 C ATOM 182 CG LEU A 165 -8.994 8.041 -0.112 1.00 0.00 C ATOM 183 CD1 LEU A 165 -9.595 7.388 1.124 1.00 0.00 C ATOM 184 CD2 LEU A 165 -8.586 9.478 0.185 1.00 0.00 C ATOM 0 H LEU A 165 -6.816 6.200 -3.440 1.00 0.00 H new ATOM 0 HA LEU A 165 -7.737 8.588 -2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -8.068 6.184 -0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -6.983 7.334 0.109 1.00 0.00 H new ATOM 0 HG LEU A 165 -9.753 8.053 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -10.448 7.974 1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -9.923 6.378 0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -8.845 7.344 1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -9.452 10.036 0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -7.810 9.485 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -8.204 9.943 -0.724 1.00 0.00 H new ATOM 196 N LEU A 166 -5.055 6.826 -1.483 1.00 0.00 N ATOM 197 CA LEU A 166 -3.605 6.889 -1.360 1.00 0.00 C ATOM 198 C LEU A 166 -3.015 5.483 -1.268 1.00 0.00 C ATOM 199 O LEU A 166 -3.411 4.697 -0.409 1.00 0.00 O ATOM 200 CB LEU A 166 -3.222 7.703 -0.120 1.00 0.00 C ATOM 201 CG LEU A 166 -2.635 9.088 -0.408 1.00 0.00 C ATOM 202 CD1 LEU A 166 -3.095 10.091 0.639 1.00 0.00 C ATOM 203 CD2 LEU A 166 -1.115 9.024 -0.456 1.00 0.00 C ATOM 0 H LEU A 166 -5.463 5.934 -1.204 1.00 0.00 H new ATOM 0 HA LEU A 166 -3.200 7.377 -2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -4.107 7.823 0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -2.498 7.132 0.461 1.00 0.00 H new ATOM 0 HG LEU A 166 -2.996 9.419 -1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -2.668 11.069 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -4.183 10.158 0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -2.764 9.765 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -0.715 10.017 -0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -0.735 8.671 0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -0.804 8.338 -1.244 1.00 0.00 H new ATOM 215 N PRO A 167 -2.064 5.141 -2.154 1.00 0.00 N ATOM 216 CA PRO A 167 -1.441 3.818 -2.154 1.00 0.00 C ATOM 217 C PRO A 167 -0.436 3.641 -1.015 1.00 0.00 C ATOM 218 O PRO A 167 0.629 4.258 -1.017 1.00 0.00 O ATOM 219 CB PRO A 167 -0.729 3.764 -3.503 1.00 0.00 C ATOM 220 CG PRO A 167 -0.411 5.186 -3.816 1.00 0.00 C ATOM 221 CD PRO A 167 -1.527 6.006 -3.223 1.00 0.00 C ATOM 0 HA PRO A 167 -2.175 3.025 -2.008 1.00 0.00 H new ATOM 0 HB2 PRO A 167 0.175 3.158 -3.450 1.00 0.00 H new ATOM 0 HB3 PRO A 167 -1.365 3.322 -4.270 1.00 0.00 H new ATOM 0 HG2 PRO A 167 0.551 5.473 -3.391 1.00 0.00 H new ATOM 0 HG3 PRO A 167 -0.343 5.342 -4.893 1.00 0.00 H new ATOM 0 HD2 PRO A 167 -1.161 6.953 -2.826 1.00 0.00 H new ATOM 0 HD3 PRO A 167 -2.288 6.244 -3.966 1.00 0.00 H new ATOM 229 N PRO A 168 -0.763 2.791 -0.024 1.00 0.00 N ATOM 230 CA PRO A 168 0.117 2.534 1.120 1.00 0.00 C ATOM 231 C PRO A 168 1.288 1.627 0.759 1.00 0.00 C ATOM 232 O PRO A 168 1.284 0.436 1.072 1.00 0.00 O ATOM 233 CB PRO A 168 -0.810 1.837 2.114 1.00 0.00 C ATOM 234 CG PRO A 168 -1.793 1.124 1.254 1.00 0.00 C ATOM 235 CD PRO A 168 -2.014 2.010 0.059 1.00 0.00 C ATOM 0 HA PRO A 168 0.574 3.447 1.502 1.00 0.00 H new ATOM 0 HB2 PRO A 168 -0.262 1.144 2.752 1.00 0.00 H new ATOM 0 HB3 PRO A 168 -1.302 2.554 2.771 1.00 0.00 H new ATOM 0 HG2 PRO A 168 -1.412 0.148 0.952 1.00 0.00 H new ATOM 0 HG3 PRO A 168 -2.726 0.950 1.789 1.00 0.00 H new ATOM 0 HD2 PRO A 168 -2.185 1.428 -0.847 1.00 0.00 H new ATOM 0 HD3 PRO A 168 -2.882 2.655 0.192 1.00 0.00 H new ATOM 243 N ILE A 169 2.288 2.196 0.096 1.00 0.00 N ATOM 244 CA ILE A 169 3.466 1.440 -0.310 1.00 0.00 C ATOM 245 C ILE A 169 4.383 1.172 0.879 1.00 0.00 C ATOM 246 O ILE A 169 4.878 0.062 1.059 1.00 0.00 O ATOM 247 CB ILE A 169 4.249 2.183 -1.415 1.00 0.00 C ATOM 248 CG1 ILE A 169 5.128 1.206 -2.200 1.00 0.00 C ATOM 249 CG2 ILE A 169 5.087 3.312 -0.832 1.00 0.00 C ATOM 250 CD1 ILE A 169 4.438 0.610 -3.408 1.00 0.00 C ATOM 0 H ILE A 169 2.306 3.180 -0.172 1.00 0.00 H new ATOM 0 HA ILE A 169 3.119 0.486 -0.707 1.00 0.00 H new ATOM 0 HB ILE A 169 3.526 2.625 -2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 169 6.031 1.723 -2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 169 5.443 0.400 -1.537 1.00 0.00 H new ATOM 0 HG21 ILE A 169 5.626 3.816 -1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 169 4.435 4.026 -0.328 1.00 0.00 H new ATOM 0 HG23 ILE A 169 5.800 2.903 -0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 169 5.119 -0.072 -3.916 1.00 0.00 H new ATOM 0 HD12 ILE A 169 3.550 0.065 -3.088 1.00 0.00 H new ATOM 0 HD13 ILE A 169 4.147 1.408 -4.091 1.00 0.00 H new ATOM 262 N ILE A 170 4.597 2.206 1.683 1.00 0.00 N ATOM 263 CA ILE A 170 5.452 2.113 2.863 1.00 0.00 C ATOM 264 C ILE A 170 4.760 1.350 3.987 1.00 0.00 C ATOM 265 O ILE A 170 5.380 0.527 4.663 1.00 0.00 O ATOM 266 CB ILE A 170 5.854 3.508 3.384 1.00 0.00 C ATOM 267 CG1 ILE A 170 6.392 4.373 2.243 1.00 0.00 C ATOM 268 CG2 ILE A 170 6.888 3.381 4.493 1.00 0.00 C ATOM 269 CD1 ILE A 170 5.372 5.344 1.688 1.00 0.00 C ATOM 0 H ILE A 170 4.186 3.128 1.538 1.00 0.00 H new ATOM 0 HA ILE A 170 6.349 1.575 2.556 1.00 0.00 H new ATOM 0 HB ILE A 170 4.968 3.994 3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 170 7.258 4.932 2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 170 6.739 3.724 1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 170 7.162 4.374 4.851 1.00 0.00 H new ATOM 0 HG22 ILE A 170 6.470 2.802 5.316 1.00 0.00 H new ATOM 0 HG23 ILE A 170 7.774 2.877 4.108 1.00 0.00 H new ATOM 0 HD11 ILE A 170 5.823 5.924 0.883 1.00 0.00 H new ATOM 0 HD12 ILE A 170 4.516 4.791 1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 170 5.042 6.017 2.479 1.00 0.00 H new ATOM 281 N LEU A 171 3.473 1.617 4.180 1.00 0.00 N ATOM 282 CA LEU A 171 2.711 0.938 5.220 1.00 0.00 C ATOM 283 C LEU A 171 2.614 -0.546 4.895 1.00 0.00 C ATOM 284 O LEU A 171 3.046 -1.395 5.672 1.00 0.00 O ATOM 285 CB LEU A 171 1.308 1.542 5.340 1.00 0.00 C ATOM 286 CG LEU A 171 1.159 2.628 6.408 1.00 0.00 C ATOM 287 CD1 LEU A 171 1.199 2.017 7.802 1.00 0.00 C ATOM 288 CD2 LEU A 171 2.245 3.683 6.253 1.00 0.00 C ATOM 0 H LEU A 171 2.939 2.294 3.634 1.00 0.00 H new ATOM 0 HA LEU A 171 3.224 1.067 6.173 1.00 0.00 H new ATOM 0 HB2 LEU A 171 1.026 1.962 4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 171 0.602 0.741 5.557 1.00 0.00 H new ATOM 0 HG LEU A 171 0.191 3.111 6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 171 1.092 2.805 8.548 1.00 0.00 H new ATOM 0 HD12 LEU A 171 0.383 1.302 7.909 1.00 0.00 H new ATOM 0 HD13 LEU A 171 2.151 1.506 7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 171 2.123 4.447 7.021 1.00 0.00 H new ATOM 0 HD22 LEU A 171 3.224 3.216 6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 171 2.167 4.143 5.268 1.00 0.00 H new ATOM 300 N ASP A 172 2.063 -0.843 3.724 1.00 0.00 N ATOM 301 CA ASP A 172 1.928 -2.217 3.267 1.00 0.00 C ATOM 302 C ASP A 172 3.276 -2.779 2.807 1.00 0.00 C ATOM 303 O ASP A 172 3.346 -3.904 2.313 1.00 0.00 O ATOM 304 CB ASP A 172 0.911 -2.304 2.128 1.00 0.00 C ATOM 305 CG ASP A 172 -0.429 -1.698 2.502 1.00 0.00 C ATOM 306 OD1 ASP A 172 -0.503 -1.007 3.539 1.00 0.00 O ATOM 307 OD2 ASP A 172 -1.407 -1.916 1.755 1.00 0.00 O ATOM 0 H ASP A 172 1.702 -0.146 3.073 1.00 0.00 H new ATOM 0 HA ASP A 172 1.574 -2.815 4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 172 1.307 -1.791 1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 172 0.770 -3.348 1.850 1.00 0.00 H new ATOM 312 N ALA A 173 4.348 -1.998 2.974 1.00 0.00 N ATOM 313 CA ALA A 173 5.676 -2.442 2.576 1.00 0.00 C ATOM 314 C ALA A 173 6.181 -3.498 3.550 1.00 0.00 C ATOM 315 O ALA A 173 6.514 -4.617 3.161 1.00 0.00 O ATOM 316 CB ALA A 173 6.643 -1.267 2.523 1.00 0.00 C ATOM 0 H ALA A 173 4.317 -1.063 3.380 1.00 0.00 H new ATOM 0 HA ALA A 173 5.614 -2.877 1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 173 7.630 -1.621 2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 173 6.286 -0.534 1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 173 6.707 -0.804 3.508 1.00 0.00 H new ATOM 322 N GLY A 174 6.207 -3.132 4.825 1.00 0.00 N ATOM 323 CA GLY A 174 6.639 -4.049 5.861 1.00 0.00 C ATOM 324 C GLY A 174 5.560 -4.263 6.908 1.00 0.00 C ATOM 325 O GLY A 174 5.756 -5.019 7.857 1.00 0.00 O ATOM 0 H GLY A 174 5.934 -2.209 5.162 1.00 0.00 H new ATOM 0 HA2 GLY A 174 6.905 -5.006 5.412 1.00 0.00 H new ATOM 0 HA3 GLY A 174 7.538 -3.660 6.339 1.00 0.00 H new ATOM 329 N TYR A 175 4.417 -3.591 6.714 1.00 0.00 N ATOM 330 CA TYR A 175 3.258 -3.666 7.610 1.00 0.00 C ATOM 331 C TYR A 175 3.622 -3.324 9.051 1.00 0.00 C ATOM 332 O TYR A 175 3.082 -2.381 9.629 1.00 0.00 O ATOM 333 CB TYR A 175 2.570 -5.039 7.542 1.00 0.00 C ATOM 334 CG TYR A 175 3.459 -6.182 7.103 1.00 0.00 C ATOM 335 CD1 TYR A 175 3.782 -6.362 5.764 1.00 0.00 C ATOM 336 CD2 TYR A 175 3.972 -7.081 8.028 1.00 0.00 C ATOM 337 CE1 TYR A 175 4.591 -7.407 5.359 1.00 0.00 C ATOM 338 CE2 TYR A 175 4.783 -8.128 7.632 1.00 0.00 C ATOM 339 CZ TYR A 175 5.089 -8.286 6.297 1.00 0.00 C ATOM 340 OH TYR A 175 5.896 -9.328 5.899 1.00 0.00 O ATOM 0 H TYR A 175 4.271 -2.971 5.917 1.00 0.00 H new ATOM 0 HA TYR A 175 2.551 -2.915 7.258 1.00 0.00 H new ATOM 0 HB2 TYR A 175 2.163 -5.273 8.526 1.00 0.00 H new ATOM 0 HB3 TYR A 175 1.726 -4.971 6.856 1.00 0.00 H new ATOM 0 HD1 TYR A 175 3.395 -5.674 5.027 1.00 0.00 H new ATOM 0 HD2 TYR A 175 3.734 -6.960 9.074 1.00 0.00 H new ATOM 0 HE1 TYR A 175 4.832 -7.534 4.314 1.00 0.00 H new ATOM 0 HE2 TYR A 175 5.175 -8.818 8.364 1.00 0.00 H new ATOM 0 HH TYR A 175 6.163 -9.853 6.682 1.00 0.00 H new ATOM 350 N PHE A 176 4.534 -4.090 9.628 1.00 0.00 N ATOM 351 CA PHE A 176 4.961 -3.861 11.003 1.00 0.00 C ATOM 352 C PHE A 176 6.229 -3.013 11.051 1.00 0.00 C ATOM 353 O PHE A 176 6.972 -3.045 12.033 1.00 0.00 O ATOM 354 CB PHE A 176 5.198 -5.194 11.715 1.00 0.00 C ATOM 355 CG PHE A 176 3.959 -5.763 12.346 1.00 0.00 C ATOM 356 CD1 PHE A 176 3.304 -5.079 13.359 1.00 0.00 C ATOM 357 CD2 PHE A 176 3.450 -6.982 11.928 1.00 0.00 C ATOM 358 CE1 PHE A 176 2.166 -5.602 13.943 1.00 0.00 C ATOM 359 CE2 PHE A 176 2.310 -7.510 12.508 1.00 0.00 C ATOM 360 CZ PHE A 176 1.668 -6.819 13.516 1.00 0.00 C ATOM 0 H PHE A 176 4.994 -4.876 9.168 1.00 0.00 H new ATOM 0 HA PHE A 176 4.166 -3.319 11.515 1.00 0.00 H new ATOM 0 HB2 PHE A 176 5.595 -5.914 10.999 1.00 0.00 H new ATOM 0 HB3 PHE A 176 5.958 -5.056 12.484 1.00 0.00 H new ATOM 0 HD1 PHE A 176 3.688 -4.127 13.695 1.00 0.00 H new ATOM 0 HD2 PHE A 176 3.949 -7.527 11.140 1.00 0.00 H new ATOM 0 HE1 PHE A 176 1.666 -5.060 14.732 1.00 0.00 H new ATOM 0 HE2 PHE A 176 1.923 -8.461 12.173 1.00 0.00 H new ATOM 0 HZ PHE A 176 0.778 -7.229 13.970 1.00 0.00 H new ATOM 370 N LEU A 177 6.470 -2.249 9.988 1.00 0.00 N ATOM 371 CA LEU A 177 7.646 -1.390 9.916 1.00 0.00 C ATOM 372 C LEU A 177 7.345 0.003 10.473 1.00 0.00 C ATOM 373 O LEU A 177 8.094 0.518 11.302 1.00 0.00 O ATOM 374 CB LEU A 177 8.145 -1.290 8.473 1.00 0.00 C ATOM 375 CG LEU A 177 9.056 -2.432 8.026 1.00 0.00 C ATOM 376 CD1 LEU A 177 9.534 -2.206 6.600 1.00 0.00 C ATOM 377 CD2 LEU A 177 10.240 -2.570 8.973 1.00 0.00 C ATOM 0 H LEU A 177 5.867 -2.208 9.167 1.00 0.00 H new ATOM 0 HA LEU A 177 8.429 -1.837 10.528 1.00 0.00 H new ATOM 0 HB2 LEU A 177 7.282 -1.251 7.808 1.00 0.00 H new ATOM 0 HB3 LEU A 177 8.682 -0.349 8.354 1.00 0.00 H new ATOM 0 HG LEU A 177 8.485 -3.360 8.052 1.00 0.00 H new ATOM 0 HD11 LEU A 177 10.182 -3.029 6.299 1.00 0.00 H new ATOM 0 HD12 LEU A 177 8.674 -2.157 5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 177 10.089 -1.269 6.546 1.00 0.00 H new ATOM 0 HD21 LEU A 177 10.879 -3.388 8.640 1.00 0.00 H new ATOM 0 HD22 LEU A 177 10.812 -1.642 8.978 1.00 0.00 H new ATOM 0 HD23 LEU A 177 9.878 -2.779 9.980 1.00 0.00 H new ATOM 389 N PRO A 178 6.239 0.635 10.030 1.00 0.00 N ATOM 390 CA PRO A 178 5.855 1.971 10.502 1.00 0.00 C ATOM 391 C PRO A 178 5.614 1.999 12.007 1.00 0.00 C ATOM 392 O PRO A 178 5.821 3.020 12.662 1.00 0.00 O ATOM 393 CB PRO A 178 4.550 2.265 9.752 1.00 0.00 C ATOM 394 CG PRO A 178 4.554 1.338 8.586 1.00 0.00 C ATOM 395 CD PRO A 178 5.279 0.107 9.046 1.00 0.00 C ATOM 0 HA PRO A 178 6.639 2.705 10.317 1.00 0.00 H new ATOM 0 HB2 PRO A 178 3.682 2.093 10.389 1.00 0.00 H new ATOM 0 HB3 PRO A 178 4.507 3.305 9.428 1.00 0.00 H new ATOM 0 HG2 PRO A 178 3.538 1.099 8.273 1.00 0.00 H new ATOM 0 HG3 PRO A 178 5.054 1.789 7.729 1.00 0.00 H new ATOM 0 HD2 PRO A 178 4.599 -0.618 9.494 1.00 0.00 H new ATOM 0 HD3 PRO A 178 5.783 -0.396 8.221 1.00 0.00 H new ATOM 403 N LEU A 179 5.173 0.868 12.546 1.00 0.00 N ATOM 404 CA LEU A 179 4.898 0.753 13.973 1.00 0.00 C ATOM 405 C LEU A 179 6.177 0.907 14.787 1.00 0.00 C ATOM 406 O LEU A 179 6.277 1.781 15.648 1.00 0.00 O ATOM 407 CB LEU A 179 4.247 -0.597 14.279 1.00 0.00 C ATOM 408 CG LEU A 179 2.781 -0.722 13.856 1.00 0.00 C ATOM 409 CD1 LEU A 179 2.619 -0.386 12.381 1.00 0.00 C ATOM 410 CD2 LEU A 179 2.263 -2.123 14.145 1.00 0.00 C ATOM 0 H LEU A 179 4.998 0.015 12.014 1.00 0.00 H new ATOM 0 HA LEU A 179 4.212 1.553 14.252 1.00 0.00 H new ATOM 0 HB2 LEU A 179 4.820 -1.380 13.783 1.00 0.00 H new ATOM 0 HB3 LEU A 179 4.317 -0.782 15.351 1.00 0.00 H new ATOM 0 HG LEU A 179 2.193 -0.010 14.435 1.00 0.00 H new ATOM 0 HD11 LEU A 179 1.570 -0.481 12.099 1.00 0.00 H new ATOM 0 HD12 LEU A 179 2.952 0.636 12.202 1.00 0.00 H new ATOM 0 HD13 LEU A 179 3.218 -1.073 11.783 1.00 0.00 H new ATOM 0 HD21 LEU A 179 1.219 -2.195 13.839 1.00 0.00 H new ATOM 0 HD22 LEU A 179 2.855 -2.851 13.591 1.00 0.00 H new ATOM 0 HD23 LEU A 179 2.343 -2.327 15.213 1.00 0.00 H new ATOM 422 N ARG A 180 7.154 0.051 14.510 1.00 0.00 N ATOM 423 CA ARG A 180 8.429 0.089 15.216 1.00 0.00 C ATOM 424 C ARG A 180 9.396 1.059 14.543 1.00 0.00 C ATOM 425 O ARG A 180 10.576 0.750 14.361 1.00 0.00 O ATOM 426 CB ARG A 180 9.043 -1.311 15.273 1.00 0.00 C ATOM 427 CG ARG A 180 8.181 -2.322 16.013 1.00 0.00 C ATOM 428 CD ARG A 180 7.990 -1.929 17.471 1.00 0.00 C ATOM 429 NE ARG A 180 6.685 -1.313 17.705 1.00 0.00 N ATOM 430 CZ ARG A 180 6.118 -1.212 18.904 1.00 0.00 C ATOM 431 NH1 ARG A 180 6.734 -1.684 19.980 1.00 0.00 N ATOM 432 NH2 ARG A 180 4.930 -0.637 19.028 1.00 0.00 N ATOM 0 H ARG A 180 7.087 -0.679 13.800 1.00 0.00 H new ATOM 0 HA ARG A 180 8.245 0.439 16.232 1.00 0.00 H new ATOM 0 HB2 ARG A 180 9.214 -1.666 14.257 1.00 0.00 H new ATOM 0 HB3 ARG A 180 10.017 -1.252 15.758 1.00 0.00 H new ATOM 0 HG2 ARG A 180 7.209 -2.400 15.525 1.00 0.00 H new ATOM 0 HG3 ARG A 180 8.645 -3.307 15.958 1.00 0.00 H new ATOM 0 HD2 ARG A 180 8.092 -2.813 18.101 1.00 0.00 H new ATOM 0 HD3 ARG A 180 8.777 -1.235 17.766 1.00 0.00 H new ATOM 0 HE ARG A 180 6.180 -0.939 16.902 1.00 0.00 H new ATOM 0 HH11 ARG A 180 7.648 -2.128 19.891 1.00 0.00 H new ATOM 0 HH12 ARG A 180 6.293 -1.603 20.896 1.00 0.00 H new ATOM 0 HH21 ARG A 180 4.451 -0.272 18.204 1.00 0.00 H new ATOM 0 HH22 ARG A 180 4.495 -0.559 19.947 1.00 0.00 H new HETATM 446 N HSL A 181 8.852 2.272 14.166 1.00 0.00 N HETATM 447 CA HSL A 181 9.635 3.303 13.517 1.00 0.00 C HETATM 448 C HSL A 181 9.700 4.581 14.341 1.00 0.00 C HETATM 449 O HSL A 181 10.344 4.773 15.346 1.00 0.00 O HETATM 450 CB HSL A 181 9.058 3.780 12.194 1.00 0.00 C HETATM 451 CG HSL A 181 8.277 5.014 12.617 1.00 0.00 C HETATM 452 OD HSL A 181 8.907 5.505 13.772 1.00 0.00 O HETATM 0 HG3 HSL A 181 8.277 5.764 11.826 1.00 0.00 H new HETATM 0 HG2 HSL A 181 7.235 4.764 12.819 1.00 0.00 H new HETATM 0 HB3 HSL A 181 9.838 4.019 11.471 1.00 0.00 H new HETATM 0 HB2 HSL A 181 8.416 3.029 11.734 1.00 0.00 H new HETATM 0 HA HSL A 181 10.602 2.817 13.386 1.00 0.00 H new TER 459 HSL A 181