USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 452 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 150 THR OG1 : rot -150:sc=-0.000888 USER MOD Set 1.2: A 164 MET CE :methyl -118:sc= -0.079 (180deg=0) USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 GLN : amide:sc= -0.0479 X(o=-0.048,f=0) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 THR OG1 : rot -93:sc= -0.318 USER MOD Single : A 155 ASN : amide:sc= -0.351 K(o=-0.35,f=-2.7!) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 THR OG1 : rot 180:sc= 0 USER MOD Single : A 172 THR OG1 : rot 180:sc= -0.562 USER MOD Single : A 179 SER OG : rot 180:sc= 0 USER MOD Single : A 180 GLN : amide:sc= 0.487 X(o=0.49,f=0) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 127 -6.067 -7.329 -3.323 1.00 0.00 N ATOM 2 CA ALA A 127 -6.335 -6.945 -1.913 1.00 0.00 C ATOM 3 C ALA A 127 -5.804 -8.000 -0.949 1.00 0.00 C ATOM 4 O ALA A 127 -4.999 -7.701 -0.067 1.00 0.00 O ATOM 5 CB ALA A 127 -7.827 -6.738 -1.698 1.00 0.00 C ATOM 0 HA ALA A 127 -5.815 -6.008 -1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -8.010 -6.457 -0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -8.183 -5.946 -2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -8.359 -7.663 -1.922 1.00 0.00 H new ATOM 13 N GLN A 128 -6.258 -9.237 -1.124 1.00 0.00 N ATOM 14 CA GLN A 128 -5.826 -10.337 -0.270 1.00 0.00 C ATOM 15 C GLN A 128 -4.499 -10.913 -0.754 1.00 0.00 C ATOM 16 O GLN A 128 -3.628 -11.246 0.048 1.00 0.00 O ATOM 17 CB GLN A 128 -6.891 -11.435 -0.238 1.00 0.00 C ATOM 18 CG GLN A 128 -8.147 -11.042 0.523 1.00 0.00 C ATOM 19 CD GLN A 128 -8.502 -12.032 1.618 1.00 0.00 C ATOM 20 OE1 GLN A 128 -9.066 -13.093 1.351 1.00 0.00 O ATOM 21 NE2 GLN A 128 -8.173 -11.686 2.856 1.00 0.00 N ATOM 0 H GLN A 128 -6.925 -9.502 -1.849 1.00 0.00 H new ATOM 0 HA GLN A 128 -5.686 -9.947 0.738 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -7.163 -11.696 -1.261 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -6.465 -12.329 0.217 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -8.006 -10.055 0.963 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -8.981 -10.964 -0.175 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -7.706 -10.796 3.030 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -8.387 -12.310 3.634 1.00 0.00 H new ATOM 30 N VAL A 129 -4.355 -11.030 -2.070 1.00 0.00 N ATOM 31 CA VAL A 129 -3.135 -11.568 -2.661 1.00 0.00 C ATOM 32 C VAL A 129 -2.461 -10.541 -3.565 1.00 0.00 C ATOM 33 O VAL A 129 -1.235 -10.430 -3.589 1.00 0.00 O ATOM 34 CB VAL A 129 -3.421 -12.849 -3.472 1.00 0.00 C ATOM 35 CG1 VAL A 129 -4.369 -12.556 -4.624 1.00 0.00 C ATOM 36 CG2 VAL A 129 -2.123 -13.460 -3.980 1.00 0.00 C ATOM 0 H VAL A 129 -5.068 -10.760 -2.747 1.00 0.00 H new ATOM 0 HA VAL A 129 -2.465 -11.813 -1.837 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.903 -13.572 -2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -4.557 -13.473 -5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -5.310 -12.171 -4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -3.920 -11.814 -5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -2.344 -14.363 -4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -1.610 -12.743 -4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.484 -13.713 -3.134 1.00 0.00 H new ATOM 46 N ALA A 130 -3.269 -9.795 -4.310 1.00 0.00 N ATOM 47 CA ALA A 130 -2.751 -8.780 -5.218 1.00 0.00 C ATOM 48 C ALA A 130 -2.054 -7.659 -4.453 1.00 0.00 C ATOM 49 O ALA A 130 -1.107 -7.052 -4.950 1.00 0.00 O ATOM 50 CB ALA A 130 -3.876 -8.216 -6.074 1.00 0.00 C ATOM 0 H ALA A 130 -4.286 -9.875 -4.303 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.014 -9.252 -5.868 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -3.476 -7.459 -6.748 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -4.327 -9.019 -6.657 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -4.632 -7.766 -5.431 1.00 0.00 H new ATOM 56 N PHE A 131 -2.529 -7.393 -3.240 1.00 0.00 N ATOM 57 CA PHE A 131 -1.950 -6.345 -2.407 1.00 0.00 C ATOM 58 C PHE A 131 -1.246 -6.941 -1.193 1.00 0.00 C ATOM 59 O PHE A 131 -1.703 -7.933 -0.625 1.00 0.00 O ATOM 60 CB PHE A 131 -3.036 -5.368 -1.953 1.00 0.00 C ATOM 61 CG PHE A 131 -2.505 -4.019 -1.558 1.00 0.00 C ATOM 62 CD1 PHE A 131 -1.909 -3.193 -2.498 1.00 0.00 C ATOM 63 CD2 PHE A 131 -2.603 -3.578 -0.249 1.00 0.00 C ATOM 64 CE1 PHE A 131 -1.419 -1.952 -2.139 1.00 0.00 C ATOM 65 CE2 PHE A 131 -2.117 -2.337 0.117 1.00 0.00 C ATOM 66 CZ PHE A 131 -1.524 -1.523 -0.829 1.00 0.00 C ATOM 0 H PHE A 131 -3.312 -7.888 -2.813 1.00 0.00 H new ATOM 0 HA PHE A 131 -1.213 -5.807 -3.003 1.00 0.00 H new ATOM 0 HB2 PHE A 131 -3.760 -5.243 -2.758 1.00 0.00 H new ATOM 0 HB3 PHE A 131 -3.571 -5.800 -1.108 1.00 0.00 H new ATOM 0 HD1 PHE A 131 -1.827 -3.523 -3.523 1.00 0.00 H new ATOM 0 HD2 PHE A 131 -3.064 -4.211 0.494 1.00 0.00 H new ATOM 0 HE1 PHE A 131 -0.955 -1.318 -2.880 1.00 0.00 H new ATOM 0 HE2 PHE A 131 -2.201 -2.004 1.141 1.00 0.00 H new ATOM 0 HZ PHE A 131 -1.143 -0.553 -0.545 1.00 0.00 H new ATOM 76 N ARG A 132 -0.132 -6.331 -0.801 1.00 0.00 N ATOM 77 CA ARG A 132 0.633 -6.802 0.347 1.00 0.00 C ATOM 78 C ARG A 132 1.010 -5.642 1.262 1.00 0.00 C ATOM 79 O ARG A 132 1.446 -4.588 0.798 1.00 0.00 O ATOM 80 CB ARG A 132 1.893 -7.536 -0.121 1.00 0.00 C ATOM 81 CG ARG A 132 1.794 -9.049 -0.004 1.00 0.00 C ATOM 82 CD ARG A 132 3.114 -9.722 -0.345 1.00 0.00 C ATOM 83 NE ARG A 132 3.209 -11.063 0.230 1.00 0.00 N ATOM 84 CZ ARG A 132 3.511 -11.304 1.504 1.00 0.00 C ATOM 85 NH1 ARG A 132 3.752 -10.300 2.337 1.00 0.00 N ATOM 86 NH2 ARG A 132 3.572 -12.552 1.945 1.00 0.00 N ATOM 0 H ARG A 132 0.261 -5.510 -1.261 1.00 0.00 H new ATOM 0 HA ARG A 132 0.009 -7.494 0.912 1.00 0.00 H new ATOM 0 HB2 ARG A 132 2.092 -7.272 -1.160 1.00 0.00 H new ATOM 0 HB3 ARG A 132 2.744 -7.189 0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 132 1.499 -9.318 1.010 1.00 0.00 H new ATOM 0 HG3 ARG A 132 1.014 -9.416 -0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 132 3.221 -9.783 -1.428 1.00 0.00 H new ATOM 0 HD3 ARG A 132 3.938 -9.111 0.022 1.00 0.00 H new ATOM 0 HE ARG A 132 3.034 -11.861 -0.381 1.00 0.00 H new ATOM 0 HH11 ARG A 132 3.706 -9.338 2.002 1.00 0.00 H new ATOM 0 HH12 ARG A 132 3.983 -10.491 3.312 1.00 0.00 H new ATOM 0 HH21 ARG A 132 3.388 -13.327 1.308 1.00 0.00 H new ATOM 0 HH22 ARG A 132 3.803 -12.737 2.921 1.00 0.00 H new ATOM 100 N GLU A 133 0.841 -5.841 2.564 1.00 0.00 N ATOM 101 CA GLU A 133 1.168 -4.805 3.538 1.00 0.00 C ATOM 102 C GLU A 133 2.657 -4.487 3.506 1.00 0.00 C ATOM 103 O GLU A 133 3.477 -5.332 3.146 1.00 0.00 O ATOM 104 CB GLU A 133 0.760 -5.237 4.950 1.00 0.00 C ATOM 105 CG GLU A 133 -0.540 -6.023 5.003 1.00 0.00 C ATOM 106 CD GLU A 133 -1.153 -6.045 6.390 1.00 0.00 C ATOM 107 OE1 GLU A 133 -1.247 -4.966 7.012 1.00 0.00 O ATOM 108 OE2 GLU A 133 -1.537 -7.138 6.853 1.00 0.00 O ATOM 0 H GLU A 133 0.481 -6.705 2.969 1.00 0.00 H new ATOM 0 HA GLU A 133 0.610 -3.908 3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 133 1.558 -5.844 5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 133 0.663 -4.350 5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -1.252 -5.588 4.302 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -0.355 -7.046 4.675 1.00 0.00 H new ATOM 115 N GLY A 134 3.000 -3.262 3.884 1.00 0.00 N ATOM 116 CA GLY A 134 4.391 -2.850 3.891 1.00 0.00 C ATOM 117 C GLY A 134 5.001 -2.799 2.502 1.00 0.00 C ATOM 118 O GLY A 134 6.216 -2.676 2.359 1.00 0.00 O ATOM 0 H GLY A 134 2.340 -2.546 4.186 1.00 0.00 H new ATOM 0 HA2 GLY A 134 4.471 -1.866 4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 134 4.966 -3.540 4.509 1.00 0.00 H new ATOM 122 N ASP A 135 4.160 -2.890 1.473 1.00 0.00 N ATOM 123 CA ASP A 135 4.639 -2.851 0.096 1.00 0.00 C ATOM 124 C ASP A 135 4.685 -1.416 -0.422 1.00 0.00 C ATOM 125 O ASP A 135 4.105 -0.511 0.180 1.00 0.00 O ATOM 126 CB ASP A 135 3.744 -3.702 -0.807 1.00 0.00 C ATOM 127 CG ASP A 135 4.479 -4.217 -2.028 1.00 0.00 C ATOM 128 OD1 ASP A 135 5.522 -4.885 -1.857 1.00 0.00 O ATOM 129 OD2 ASP A 135 4.014 -3.955 -3.156 1.00 0.00 O ATOM 0 H ASP A 135 3.149 -2.991 1.568 1.00 0.00 H new ATOM 0 HA ASP A 135 5.649 -3.260 0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 135 3.355 -4.546 -0.237 1.00 0.00 H new ATOM 0 HB3 ASP A 135 2.886 -3.110 -1.126 1.00 0.00 H new ATOM 134 N GLN A 136 5.377 -1.217 -1.539 1.00 0.00 N ATOM 135 CA GLN A 136 5.498 0.107 -2.137 1.00 0.00 C ATOM 136 C GLN A 136 4.358 0.368 -3.117 1.00 0.00 C ATOM 137 O GLN A 136 4.026 -0.483 -3.941 1.00 0.00 O ATOM 138 CB GLN A 136 6.844 0.247 -2.850 1.00 0.00 C ATOM 139 CG GLN A 136 7.560 1.553 -2.548 1.00 0.00 C ATOM 140 CD GLN A 136 8.728 1.373 -1.597 1.00 0.00 C ATOM 141 OE1 GLN A 136 9.824 1.877 -1.837 1.00 0.00 O ATOM 142 NE2 GLN A 136 8.496 0.648 -0.508 1.00 0.00 N ATOM 0 H GLN A 136 5.862 -1.956 -2.048 1.00 0.00 H new ATOM 0 HA GLN A 136 5.441 0.846 -1.338 1.00 0.00 H new ATOM 0 HB2 GLN A 136 7.487 -0.585 -2.562 1.00 0.00 H new ATOM 0 HB3 GLN A 136 6.686 0.170 -3.926 1.00 0.00 H new ATOM 0 HG2 GLN A 136 7.919 1.990 -3.480 1.00 0.00 H new ATOM 0 HG3 GLN A 136 6.851 2.260 -2.117 1.00 0.00 H new ATOM 0 HE21 GLN A 136 7.571 0.248 -0.349 1.00 0.00 H new ATOM 0 HE22 GLN A 136 9.243 0.491 0.169 1.00 0.00 H new ATOM 151 N VAL A 137 3.760 1.552 -3.018 1.00 0.00 N ATOM 152 CA VAL A 137 2.657 1.928 -3.895 1.00 0.00 C ATOM 153 C VAL A 137 2.767 3.392 -4.314 1.00 0.00 C ATOM 154 O VAL A 137 3.123 4.249 -3.506 1.00 0.00 O ATOM 155 CB VAL A 137 1.297 1.702 -3.205 1.00 0.00 C ATOM 156 CG1 VAL A 137 1.018 0.215 -3.045 1.00 0.00 C ATOM 157 CG2 VAL A 137 1.259 2.409 -1.859 1.00 0.00 C ATOM 0 H VAL A 137 4.021 2.267 -2.339 1.00 0.00 H new ATOM 0 HA VAL A 137 2.719 1.294 -4.780 1.00 0.00 H new ATOM 0 HB VAL A 137 0.515 2.127 -3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 137 0.054 0.076 -2.556 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.999 -0.259 -4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.801 -0.239 -2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 137 0.292 2.239 -1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 137 2.050 2.017 -1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 137 1.408 3.479 -2.006 1.00 0.00 H new ATOM 167 N ARG A 138 2.460 3.672 -5.579 1.00 0.00 N ATOM 168 CA ARG A 138 2.529 5.035 -6.097 1.00 0.00 C ATOM 169 C ARG A 138 1.284 5.830 -5.716 1.00 0.00 C ATOM 170 O ARG A 138 0.272 5.264 -5.305 1.00 0.00 O ATOM 171 CB ARG A 138 2.697 5.028 -7.619 1.00 0.00 C ATOM 172 CG ARG A 138 3.855 5.884 -8.112 1.00 0.00 C ATOM 173 CD ARG A 138 4.442 5.337 -9.403 1.00 0.00 C ATOM 174 NE ARG A 138 5.530 6.171 -9.906 1.00 0.00 N ATOM 175 CZ ARG A 138 6.779 6.117 -9.445 1.00 0.00 C ATOM 176 NH1 ARG A 138 7.100 5.273 -8.473 1.00 0.00 N ATOM 177 NH2 ARG A 138 7.710 6.910 -9.958 1.00 0.00 N ATOM 0 H ARG A 138 2.162 2.975 -6.262 1.00 0.00 H new ATOM 0 HA ARG A 138 3.398 5.516 -5.648 1.00 0.00 H new ATOM 0 HB2 ARG A 138 2.847 4.002 -7.954 1.00 0.00 H new ATOM 0 HB3 ARG A 138 1.774 5.382 -8.079 1.00 0.00 H new ATOM 0 HG2 ARG A 138 3.511 6.906 -8.272 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.630 5.924 -7.347 1.00 0.00 H new ATOM 0 HD2 ARG A 138 4.810 4.325 -9.234 1.00 0.00 H new ATOM 0 HD3 ARG A 138 3.658 5.270 -10.158 1.00 0.00 H new ATOM 0 HE ARG A 138 5.322 6.833 -10.653 1.00 0.00 H new ATOM 0 HH11 ARG A 138 6.389 4.660 -8.074 1.00 0.00 H new ATOM 0 HH12 ARG A 138 8.058 5.237 -8.125 1.00 0.00 H new ATOM 0 HH21 ARG A 138 7.470 7.561 -10.705 1.00 0.00 H new ATOM 0 HH22 ARG A 138 8.666 6.869 -9.605 1.00 0.00 H new ATOM 191 N VAL A 139 1.375 7.145 -5.858 1.00 0.00 N ATOM 192 CA VAL A 139 0.265 8.035 -5.534 1.00 0.00 C ATOM 193 C VAL A 139 -0.739 8.101 -6.684 1.00 0.00 C ATOM 194 O VAL A 139 -0.458 7.638 -7.791 1.00 0.00 O ATOM 195 CB VAL A 139 0.770 9.458 -5.220 1.00 0.00 C ATOM 196 CG1 VAL A 139 -0.317 10.282 -4.544 1.00 0.00 C ATOM 197 CG2 VAL A 139 2.018 9.404 -4.351 1.00 0.00 C ATOM 0 H VAL A 139 2.210 7.623 -6.197 1.00 0.00 H new ATOM 0 HA VAL A 139 -0.228 7.628 -4.652 1.00 0.00 H new ATOM 0 HB VAL A 139 1.027 9.942 -6.162 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.063 11.282 -4.332 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -1.182 10.354 -5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.611 9.801 -3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.359 10.418 -4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 139 1.787 8.897 -3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 139 2.803 8.859 -4.875 1.00 0.00 H new ATOM 207 N VAL A 140 -1.913 8.665 -6.414 1.00 0.00 N ATOM 208 CA VAL A 140 -2.960 8.776 -7.428 1.00 0.00 C ATOM 209 C VAL A 140 -2.709 9.944 -8.386 1.00 0.00 C ATOM 210 O VAL A 140 -2.552 9.739 -9.589 1.00 0.00 O ATOM 211 CB VAL A 140 -4.362 8.921 -6.784 1.00 0.00 C ATOM 212 CG1 VAL A 140 -4.362 9.971 -5.678 1.00 0.00 C ATOM 213 CG2 VAL A 140 -5.412 9.251 -7.838 1.00 0.00 C ATOM 0 H VAL A 140 -2.164 9.052 -5.504 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.931 7.850 -8.002 1.00 0.00 H new ATOM 0 HB VAL A 140 -4.617 7.962 -6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.361 10.047 -5.248 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -3.654 9.682 -4.902 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.071 10.936 -6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -6.388 9.348 -7.362 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -5.153 10.189 -8.328 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -5.448 8.452 -8.579 1.00 0.00 H new ATOM 223 N SER A 141 -2.682 11.165 -7.858 1.00 0.00 N ATOM 224 CA SER A 141 -2.461 12.344 -8.691 1.00 0.00 C ATOM 225 C SER A 141 -1.991 13.530 -7.854 1.00 0.00 C ATOM 226 O SER A 141 -1.582 13.369 -6.704 1.00 0.00 O ATOM 227 CB SER A 141 -3.744 12.707 -9.440 1.00 0.00 C ATOM 228 OG SER A 141 -4.678 13.334 -8.578 1.00 0.00 O ATOM 0 H SER A 141 -2.809 11.363 -6.866 1.00 0.00 H new ATOM 0 HA SER A 141 -1.679 12.106 -9.412 1.00 0.00 H new ATOM 0 HB2 SER A 141 -3.508 13.372 -10.271 1.00 0.00 H new ATOM 0 HB3 SER A 141 -4.186 11.807 -9.868 1.00 0.00 H new ATOM 0 HG SER A 141 -5.489 13.558 -9.081 1.00 0.00 H new ATOM 234 N GLY A 142 -2.052 14.723 -8.441 1.00 0.00 N ATOM 235 CA GLY A 142 -1.632 15.920 -7.739 1.00 0.00 C ATOM 236 C GLY A 142 -0.125 16.094 -7.746 1.00 0.00 C ATOM 237 O GLY A 142 0.570 15.454 -8.536 1.00 0.00 O ATOM 0 H GLY A 142 -2.386 14.880 -9.392 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -2.098 16.791 -8.200 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -1.986 15.877 -6.709 1.00 0.00 H new ATOM 241 N PRO A 143 0.415 16.956 -6.868 1.00 0.00 N ATOM 242 CA PRO A 143 1.860 17.193 -6.787 1.00 0.00 C ATOM 243 C PRO A 143 2.627 15.944 -6.362 1.00 0.00 C ATOM 244 O PRO A 143 3.848 15.878 -6.499 1.00 0.00 O ATOM 245 CB PRO A 143 1.989 18.290 -5.724 1.00 0.00 C ATOM 246 CG PRO A 143 0.733 18.204 -4.927 1.00 0.00 C ATOM 247 CD PRO A 143 -0.334 17.755 -5.885 1.00 0.00 C ATOM 0 HA PRO A 143 2.280 17.472 -7.753 1.00 0.00 H new ATOM 0 HB2 PRO A 143 2.866 18.131 -5.097 1.00 0.00 H new ATOM 0 HB3 PRO A 143 2.099 19.273 -6.182 1.00 0.00 H new ATOM 0 HG2 PRO A 143 0.841 17.498 -4.104 1.00 0.00 H new ATOM 0 HG3 PRO A 143 0.482 19.170 -4.488 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -1.101 17.164 -5.385 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -0.838 18.601 -6.353 1.00 0.00 H new ATOM 255 N PHE A 144 1.901 14.956 -5.844 1.00 0.00 N ATOM 256 CA PHE A 144 2.512 13.709 -5.398 1.00 0.00 C ATOM 257 C PHE A 144 2.294 12.592 -6.414 1.00 0.00 C ATOM 258 O PHE A 144 2.490 11.421 -6.100 1.00 0.00 O ATOM 259 CB PHE A 144 1.926 13.279 -4.050 1.00 0.00 C ATOM 260 CG PHE A 144 1.598 14.421 -3.131 1.00 0.00 C ATOM 261 CD1 PHE A 144 2.602 15.200 -2.581 1.00 0.00 C ATOM 262 CD2 PHE A 144 0.280 14.713 -2.818 1.00 0.00 C ATOM 263 CE1 PHE A 144 2.300 16.249 -1.735 1.00 0.00 C ATOM 264 CE2 PHE A 144 -0.030 15.760 -1.972 1.00 0.00 C ATOM 265 CZ PHE A 144 0.981 16.529 -1.428 1.00 0.00 C ATOM 0 H PHE A 144 0.889 14.996 -5.723 1.00 0.00 H new ATOM 0 HA PHE A 144 3.582 13.888 -5.294 1.00 0.00 H new ATOM 0 HB2 PHE A 144 1.021 12.699 -4.228 1.00 0.00 H new ATOM 0 HB3 PHE A 144 2.635 12.618 -3.552 1.00 0.00 H new ATOM 0 HD1 PHE A 144 3.634 14.985 -2.816 1.00 0.00 H new ATOM 0 HD2 PHE A 144 -0.514 14.115 -3.240 1.00 0.00 H new ATOM 0 HE1 PHE A 144 3.093 16.850 -1.314 1.00 0.00 H new ATOM 0 HE2 PHE A 144 -1.061 15.977 -1.736 1.00 0.00 H new ATOM 0 HZ PHE A 144 0.742 17.347 -0.765 1.00 0.00 H new ATOM 275 N ALA A 145 1.883 12.950 -7.629 1.00 0.00 N ATOM 276 CA ALA A 145 1.630 11.956 -8.670 1.00 0.00 C ATOM 277 C ALA A 145 2.917 11.436 -9.305 1.00 0.00 C ATOM 278 O ALA A 145 2.961 11.168 -10.505 1.00 0.00 O ATOM 279 CB ALA A 145 0.716 12.539 -9.737 1.00 0.00 C ATOM 0 H ALA A 145 1.719 13.915 -7.916 1.00 0.00 H new ATOM 0 HA ALA A 145 1.142 11.106 -8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 145 0.533 11.791 -10.508 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -0.231 12.832 -9.284 1.00 0.00 H new ATOM 0 HB3 ALA A 145 1.190 13.413 -10.184 1.00 0.00 H new ATOM 285 N ASP A 146 3.956 11.281 -8.496 1.00 0.00 N ATOM 286 CA ASP A 146 5.233 10.776 -8.982 1.00 0.00 C ATOM 287 C ASP A 146 6.083 10.259 -7.831 1.00 0.00 C ATOM 288 O ASP A 146 7.309 10.376 -7.847 1.00 0.00 O ATOM 289 CB ASP A 146 5.985 11.864 -9.751 1.00 0.00 C ATOM 290 CG ASP A 146 6.671 11.327 -10.991 1.00 0.00 C ATOM 291 OD1 ASP A 146 7.163 10.180 -10.948 1.00 0.00 O ATOM 292 OD2 ASP A 146 6.713 12.053 -12.007 1.00 0.00 O ATOM 0 H ASP A 146 3.940 11.498 -7.499 1.00 0.00 H new ATOM 0 HA ASP A 146 5.033 9.947 -9.661 1.00 0.00 H new ATOM 0 HB2 ASP A 146 5.287 12.651 -10.037 1.00 0.00 H new ATOM 0 HB3 ASP A 146 6.728 12.320 -9.097 1.00 0.00 H new ATOM 297 N PHE A 147 5.423 9.688 -6.835 1.00 0.00 N ATOM 298 CA PHE A 147 6.112 9.150 -5.668 1.00 0.00 C ATOM 299 C PHE A 147 5.393 7.918 -5.138 1.00 0.00 C ATOM 300 O PHE A 147 4.251 7.646 -5.509 1.00 0.00 O ATOM 301 CB PHE A 147 6.206 10.211 -4.569 1.00 0.00 C ATOM 302 CG PHE A 147 6.908 11.466 -5.001 1.00 0.00 C ATOM 303 CD1 PHE A 147 8.206 11.420 -5.485 1.00 0.00 C ATOM 304 CD2 PHE A 147 6.269 12.695 -4.922 1.00 0.00 C ATOM 305 CE1 PHE A 147 8.854 12.574 -5.883 1.00 0.00 C ATOM 306 CE2 PHE A 147 6.913 13.852 -5.318 1.00 0.00 C ATOM 307 CZ PHE A 147 8.206 13.793 -5.799 1.00 0.00 C ATOM 0 H PHE A 147 4.409 9.584 -6.810 1.00 0.00 H new ATOM 0 HA PHE A 147 7.119 8.862 -5.971 1.00 0.00 H new ATOM 0 HB2 PHE A 147 5.200 10.465 -4.234 1.00 0.00 H new ATOM 0 HB3 PHE A 147 6.730 9.788 -3.712 1.00 0.00 H new ATOM 0 HD1 PHE A 147 8.717 10.471 -5.552 1.00 0.00 H new ATOM 0 HD2 PHE A 147 5.258 12.748 -4.547 1.00 0.00 H new ATOM 0 HE1 PHE A 147 9.865 12.524 -6.259 1.00 0.00 H new ATOM 0 HE2 PHE A 147 6.405 14.803 -5.251 1.00 0.00 H new ATOM 0 HZ PHE A 147 8.710 14.696 -6.109 1.00 0.00 H new ATOM 317 N THR A 148 6.068 7.175 -4.269 1.00 0.00 N ATOM 318 CA THR A 148 5.489 5.971 -3.688 1.00 0.00 C ATOM 319 C THR A 148 5.339 6.117 -2.178 1.00 0.00 C ATOM 320 O THR A 148 5.620 7.174 -1.615 1.00 0.00 O ATOM 321 CB THR A 148 6.358 4.754 -4.013 1.00 0.00 C ATOM 322 OG1 THR A 148 7.714 5.133 -4.166 1.00 0.00 O ATOM 323 CG2 THR A 148 5.936 4.038 -5.276 1.00 0.00 C ATOM 0 H THR A 148 7.015 7.385 -3.952 1.00 0.00 H new ATOM 0 HA THR A 148 4.499 5.826 -4.121 1.00 0.00 H new ATOM 0 HB THR A 148 6.231 4.075 -3.170 1.00 0.00 H new ATOM 0 HG1 THR A 148 8.254 4.341 -4.372 1.00 0.00 H new ATOM 0 HG21 THR A 148 6.593 3.186 -5.448 1.00 0.00 H new ATOM 0 HG22 THR A 148 4.909 3.689 -5.170 1.00 0.00 H new ATOM 0 HG23 THR A 148 6.001 4.723 -6.122 1.00 0.00 H new ATOM 331 N GLY A 149 4.893 5.048 -1.528 1.00 0.00 N ATOM 332 CA GLY A 149 4.714 5.081 -0.088 1.00 0.00 C ATOM 333 C GLY A 149 4.838 3.710 0.545 1.00 0.00 C ATOM 334 O GLY A 149 5.133 2.727 -0.136 1.00 0.00 O ATOM 0 H GLY A 149 4.653 4.161 -1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 149 5.455 5.749 0.352 1.00 0.00 H new ATOM 0 HA3 GLY A 149 3.733 5.497 0.143 1.00 0.00 H new ATOM 338 N THR A 150 4.613 3.645 1.854 1.00 0.00 N ATOM 339 CA THR A 150 4.703 2.387 2.585 1.00 0.00 C ATOM 340 C THR A 150 3.414 2.111 3.351 1.00 0.00 C ATOM 341 O THR A 150 3.076 2.826 4.296 1.00 0.00 O ATOM 342 CB THR A 150 5.886 2.419 3.552 1.00 0.00 C ATOM 343 OG1 THR A 150 7.084 2.745 2.871 1.00 0.00 O ATOM 344 CG2 THR A 150 6.108 1.105 4.270 1.00 0.00 C ATOM 0 H THR A 150 4.367 4.450 2.430 1.00 0.00 H new ATOM 0 HA THR A 150 4.855 1.585 1.862 1.00 0.00 H new ATOM 0 HB THR A 150 5.634 3.180 4.290 1.00 0.00 H new ATOM 0 HG1 THR A 150 7.843 2.321 3.323 1.00 0.00 H new ATOM 0 HG21 THR A 150 6.962 1.197 4.941 1.00 0.00 H new ATOM 0 HG22 THR A 150 5.219 0.851 4.847 1.00 0.00 H new ATOM 0 HG23 THR A 150 6.303 0.320 3.540 1.00 0.00 H new ATOM 352 N VAL A 151 2.696 1.071 2.940 1.00 0.00 N ATOM 353 CA VAL A 151 1.445 0.703 3.591 1.00 0.00 C ATOM 354 C VAL A 151 1.682 0.282 5.038 1.00 0.00 C ATOM 355 O VAL A 151 2.195 -0.805 5.302 1.00 0.00 O ATOM 356 CB VAL A 151 0.738 -0.443 2.841 1.00 0.00 C ATOM 357 CG1 VAL A 151 -0.631 -0.716 3.445 1.00 0.00 C ATOM 358 CG2 VAL A 151 0.618 -0.117 1.360 1.00 0.00 C ATOM 0 H VAL A 151 2.959 0.469 2.160 1.00 0.00 H new ATOM 0 HA VAL A 151 0.806 1.586 3.573 1.00 0.00 H new ATOM 0 HB VAL A 151 1.341 -1.345 2.945 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -1.113 -1.528 2.901 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -0.517 -0.998 4.492 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -1.245 0.182 3.375 1.00 0.00 H new ATOM 0 HG21 VAL A 151 0.116 -0.937 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 151 0.039 0.798 1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 151 1.613 0.022 0.936 1.00 0.00 H new ATOM 368 N THR A 152 1.303 1.151 5.971 1.00 0.00 N ATOM 369 CA THR A 152 1.476 0.869 7.391 1.00 0.00 C ATOM 370 C THR A 152 0.318 0.032 7.925 1.00 0.00 C ATOM 371 O THR A 152 0.526 -0.939 8.652 1.00 0.00 O ATOM 372 CB THR A 152 1.584 2.174 8.182 1.00 0.00 C ATOM 373 OG1 THR A 152 0.640 3.123 7.717 1.00 0.00 O ATOM 374 CG2 THR A 152 2.953 2.811 8.102 1.00 0.00 C ATOM 0 H THR A 152 0.875 2.054 5.769 1.00 0.00 H new ATOM 0 HA THR A 152 2.398 0.301 7.513 1.00 0.00 H new ATOM 0 HB THR A 152 1.389 1.899 9.219 1.00 0.00 H new ATOM 0 HG1 THR A 152 1.056 3.692 7.036 1.00 0.00 H new ATOM 0 HG21 THR A 152 2.960 3.732 8.685 1.00 0.00 H new ATOM 0 HG22 THR A 152 3.698 2.123 8.501 1.00 0.00 H new ATOM 0 HG23 THR A 152 3.189 3.038 7.062 1.00 0.00 H new ATOM 382 N GLU A 153 -0.901 0.413 7.557 1.00 0.00 N ATOM 383 CA GLU A 153 -2.091 -0.305 8.001 1.00 0.00 C ATOM 384 C GLU A 153 -3.226 -0.151 6.991 1.00 0.00 C ATOM 385 O GLU A 153 -3.127 0.627 6.043 1.00 0.00 O ATOM 386 CB GLU A 153 -2.538 0.205 9.373 1.00 0.00 C ATOM 387 CG GLU A 153 -2.929 -0.905 10.335 1.00 0.00 C ATOM 388 CD GLU A 153 -1.727 -1.634 10.904 1.00 0.00 C ATOM 389 OE1 GLU A 153 -0.769 -0.956 11.331 1.00 0.00 O ATOM 390 OE2 GLU A 153 -1.745 -2.882 10.922 1.00 0.00 O ATOM 0 H GLU A 153 -1.091 1.213 6.954 1.00 0.00 H new ATOM 0 HA GLU A 153 -1.840 -1.363 8.080 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -1.731 0.790 9.815 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -3.386 0.878 9.243 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -3.514 -0.483 11.152 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -3.571 -1.619 9.819 1.00 0.00 H new ATOM 397 N ILE A 154 -4.303 -0.901 7.204 1.00 0.00 N ATOM 398 CA ILE A 154 -5.458 -0.849 6.314 1.00 0.00 C ATOM 399 C ILE A 154 -6.757 -1.040 7.089 1.00 0.00 C ATOM 400 O ILE A 154 -6.780 -1.701 8.127 1.00 0.00 O ATOM 401 CB ILE A 154 -5.368 -1.922 5.213 1.00 0.00 C ATOM 402 CG1 ILE A 154 -5.032 -3.284 5.822 1.00 0.00 C ATOM 403 CG2 ILE A 154 -4.327 -1.529 4.175 1.00 0.00 C ATOM 404 CD1 ILE A 154 -5.126 -4.428 4.836 1.00 0.00 C ATOM 0 H ILE A 154 -4.400 -1.551 7.984 1.00 0.00 H new ATOM 0 HA ILE A 154 -5.456 0.137 5.850 1.00 0.00 H new ATOM 0 HB ILE A 154 -6.337 -1.996 4.719 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -4.022 -3.250 6.232 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.708 -3.477 6.655 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -4.275 -2.297 3.403 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -4.606 -0.578 3.722 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -3.353 -1.430 4.655 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -4.874 -5.362 5.338 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -6.141 -4.488 4.444 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -4.430 -4.258 4.015 1.00 0.00 H new ATOM 416 N ASN A 155 -7.837 -0.459 6.576 1.00 0.00 N ATOM 417 CA ASN A 155 -9.141 -0.567 7.220 1.00 0.00 C ATOM 418 C ASN A 155 -10.140 -1.281 6.312 1.00 0.00 C ATOM 419 O ASN A 155 -10.876 -0.643 5.561 1.00 0.00 O ATOM 420 CB ASN A 155 -9.667 0.823 7.588 1.00 0.00 C ATOM 421 CG ASN A 155 -9.348 1.202 9.020 1.00 0.00 C ATOM 422 OD1 ASN A 155 -8.900 0.369 9.809 1.00 0.00 O ATOM 423 ND2 ASN A 155 -9.578 2.462 9.366 1.00 0.00 N ATOM 0 H ASN A 155 -7.835 0.091 5.717 1.00 0.00 H new ATOM 0 HA ASN A 155 -9.023 -1.155 8.130 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -9.234 1.562 6.914 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -10.747 0.851 7.440 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -9.383 2.773 10.318 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -9.950 3.119 8.680 1.00 0.00 H new ATOM 430 N PRO A 156 -10.175 -2.625 6.371 1.00 0.00 N ATOM 431 CA PRO A 156 -11.084 -3.431 5.551 1.00 0.00 C ATOM 432 C PRO A 156 -12.551 -3.136 5.851 1.00 0.00 C ATOM 433 O PRO A 156 -13.422 -3.349 5.008 1.00 0.00 O ATOM 434 CB PRO A 156 -10.744 -4.877 5.937 1.00 0.00 C ATOM 435 CG PRO A 156 -9.398 -4.805 6.574 1.00 0.00 C ATOM 436 CD PRO A 156 -9.328 -3.460 7.237 1.00 0.00 C ATOM 0 HA PRO A 156 -10.958 -3.221 4.489 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -11.484 -5.285 6.625 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -10.731 -5.526 5.061 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -9.267 -5.606 7.301 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -8.608 -4.916 5.831 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -9.704 -3.493 8.260 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -8.305 -3.086 7.285 1.00 0.00 H new ATOM 444 N GLU A 157 -12.818 -2.648 7.060 1.00 0.00 N ATOM 445 CA GLU A 157 -14.179 -2.325 7.474 1.00 0.00 C ATOM 446 C GLU A 157 -14.535 -0.878 7.139 1.00 0.00 C ATOM 447 O GLU A 157 -15.348 -0.258 7.824 1.00 0.00 O ATOM 448 CB GLU A 157 -14.346 -2.566 8.974 1.00 0.00 C ATOM 449 CG GLU A 157 -13.484 -1.657 9.837 1.00 0.00 C ATOM 450 CD GLU A 157 -14.012 -1.525 11.252 1.00 0.00 C ATOM 451 OE1 GLU A 157 -14.475 -2.542 11.810 1.00 0.00 O ATOM 452 OE2 GLU A 157 -13.962 -0.405 11.802 1.00 0.00 O ATOM 0 H GLU A 157 -12.108 -2.468 7.770 1.00 0.00 H new ATOM 0 HA GLU A 157 -14.857 -2.978 6.925 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -15.393 -2.422 9.242 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -14.100 -3.604 9.196 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -12.467 -2.048 9.868 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -13.432 -0.669 9.379 1.00 0.00 H new ATOM 459 N ARG A 158 -13.926 -0.343 6.086 1.00 0.00 N ATOM 460 CA ARG A 158 -14.186 1.030 5.671 1.00 0.00 C ATOM 461 C ARG A 158 -13.777 1.249 4.218 1.00 0.00 C ATOM 462 O ARG A 158 -14.506 1.869 3.443 1.00 0.00 O ATOM 463 CB ARG A 158 -13.437 2.009 6.580 1.00 0.00 C ATOM 464 CG ARG A 158 -14.336 3.049 7.228 1.00 0.00 C ATOM 465 CD ARG A 158 -13.757 4.448 7.100 1.00 0.00 C ATOM 466 NE ARG A 158 -14.801 5.471 7.058 1.00 0.00 N ATOM 467 CZ ARG A 158 -14.581 6.763 7.292 1.00 0.00 C ATOM 468 NH1 ARG A 158 -13.360 7.194 7.583 1.00 0.00 N ATOM 469 NH2 ARG A 158 -15.586 7.625 7.233 1.00 0.00 N ATOM 0 H ARG A 158 -13.250 -0.839 5.505 1.00 0.00 H new ATOM 0 HA ARG A 158 -15.257 1.212 5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -12.925 1.447 7.361 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -12.669 2.518 5.997 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -15.322 3.019 6.763 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -14.473 2.806 8.282 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -13.092 4.643 7.941 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -13.153 4.509 6.195 1.00 0.00 H new ATOM 0 HE ARG A 158 -15.753 5.178 6.837 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -12.584 6.534 7.628 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -13.198 8.185 7.761 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -16.526 7.298 7.009 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -15.420 8.615 7.412 1.00 0.00 H new ATOM 483 N GLY A 159 -12.606 0.736 3.856 1.00 0.00 N ATOM 484 CA GLY A 159 -12.119 0.885 2.498 1.00 0.00 C ATOM 485 C GLY A 159 -11.019 1.924 2.392 1.00 0.00 C ATOM 486 O GLY A 159 -10.972 2.695 1.434 1.00 0.00 O ATOM 0 H GLY A 159 -11.986 0.220 4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.745 -0.075 2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -12.946 1.167 1.847 1.00 0.00 H new ATOM 490 N LYS A 160 -10.133 1.945 3.384 1.00 0.00 N ATOM 491 CA LYS A 160 -9.029 2.897 3.402 1.00 0.00 C ATOM 492 C LYS A 160 -7.698 2.185 3.609 1.00 0.00 C ATOM 493 O LYS A 160 -7.656 1.042 4.066 1.00 0.00 O ATOM 494 CB LYS A 160 -9.244 3.935 4.505 1.00 0.00 C ATOM 495 CG LYS A 160 -10.639 4.542 4.505 1.00 0.00 C ATOM 496 CD LYS A 160 -10.588 6.062 4.536 1.00 0.00 C ATOM 497 CE LYS A 160 -11.681 6.671 3.671 1.00 0.00 C ATOM 498 NZ LYS A 160 -11.616 8.159 3.664 1.00 0.00 N ATOM 0 H LYS A 160 -10.159 1.314 4.185 1.00 0.00 H new ATOM 0 HA LYS A 160 -9.001 3.402 2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -9.060 3.468 5.473 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -8.510 4.732 4.390 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -11.179 4.214 3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -11.195 4.178 5.369 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -10.698 6.411 5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -9.613 6.402 4.187 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -11.587 6.298 2.651 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -12.656 6.351 4.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -12.377 8.537 3.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -11.731 8.516 4.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -10.695 8.465 3.289 1.00 0.00 H new ATOM 512 N VAL A 161 -6.609 2.867 3.268 1.00 0.00 N ATOM 513 CA VAL A 161 -5.274 2.299 3.415 1.00 0.00 C ATOM 514 C VAL A 161 -4.253 3.378 3.759 1.00 0.00 C ATOM 515 O VAL A 161 -4.052 4.322 2.995 1.00 0.00 O ATOM 516 CB VAL A 161 -4.827 1.575 2.131 1.00 0.00 C ATOM 517 CG1 VAL A 161 -5.713 0.369 1.862 1.00 0.00 C ATOM 518 CG2 VAL A 161 -4.842 2.531 0.947 1.00 0.00 C ATOM 0 H VAL A 161 -6.625 3.813 2.888 1.00 0.00 H new ATOM 0 HA VAL A 161 -5.325 1.578 4.230 1.00 0.00 H new ATOM 0 HB VAL A 161 -3.805 1.222 2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -5.382 -0.130 0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -5.647 -0.325 2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -6.746 0.696 1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -4.523 2.002 0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -5.852 2.916 0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -4.162 3.360 1.140 1.00 0.00 H new ATOM 528 N LYS A 162 -3.610 3.232 4.913 1.00 0.00 N ATOM 529 CA LYS A 162 -2.610 4.195 5.358 1.00 0.00 C ATOM 530 C LYS A 162 -1.272 3.948 4.668 1.00 0.00 C ATOM 531 O LYS A 162 -0.871 2.804 4.459 1.00 0.00 O ATOM 532 CB LYS A 162 -2.435 4.116 6.877 1.00 0.00 C ATOM 533 CG LYS A 162 -1.602 5.249 7.452 1.00 0.00 C ATOM 534 CD LYS A 162 -1.745 5.333 8.963 1.00 0.00 C ATOM 535 CE LYS A 162 -0.441 5.748 9.625 1.00 0.00 C ATOM 536 NZ LYS A 162 -0.669 6.662 10.778 1.00 0.00 N ATOM 0 H LYS A 162 -3.764 2.456 5.557 1.00 0.00 H new ATOM 0 HA LYS A 162 -2.959 5.192 5.090 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -3.418 4.123 7.349 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -1.966 3.166 7.132 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -0.554 5.100 7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -1.910 6.193 7.003 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -2.527 6.049 9.216 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -2.061 4.366 9.354 1.00 0.00 H new ATOM 0 HE2 LYS A 162 0.092 4.860 9.966 1.00 0.00 H new ATOM 0 HE3 LYS A 162 0.197 6.241 8.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 0.245 6.921 11.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 -1.155 7.521 10.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 -1.257 6.183 11.490 1.00 0.00 H new ATOM 550 N VAL A 163 -0.585 5.031 4.316 1.00 0.00 N ATOM 551 CA VAL A 163 0.706 4.934 3.647 1.00 0.00 C ATOM 552 C VAL A 163 1.565 6.163 3.930 1.00 0.00 C ATOM 553 O VAL A 163 1.054 7.277 4.043 1.00 0.00 O ATOM 554 CB VAL A 163 0.538 4.778 2.123 1.00 0.00 C ATOM 555 CG1 VAL A 163 1.881 4.516 1.459 1.00 0.00 C ATOM 556 CG2 VAL A 163 -0.448 3.665 1.805 1.00 0.00 C ATOM 0 H VAL A 163 -0.902 5.986 4.484 1.00 0.00 H new ATOM 0 HA VAL A 163 1.203 4.048 4.043 1.00 0.00 H new ATOM 0 HB VAL A 163 0.139 5.711 1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 163 1.740 4.409 0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 163 2.553 5.351 1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 163 2.313 3.600 1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -0.553 3.570 0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -0.081 2.725 2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 163 -1.417 3.901 2.245 1.00 0.00 H new ATOM 566 N MET A 164 2.873 5.952 4.041 1.00 0.00 N ATOM 567 CA MET A 164 3.802 7.045 4.308 1.00 0.00 C ATOM 568 C MET A 164 4.427 7.556 3.013 1.00 0.00 C ATOM 569 O MET A 164 5.062 6.798 2.278 1.00 0.00 O ATOM 570 CB MET A 164 4.896 6.591 5.279 1.00 0.00 C ATOM 571 CG MET A 164 5.913 5.641 4.662 1.00 0.00 C ATOM 572 SD MET A 164 7.431 6.477 4.165 1.00 0.00 S ATOM 573 CE MET A 164 8.623 5.153 4.349 1.00 0.00 C ATOM 0 H MET A 164 3.313 5.036 3.950 1.00 0.00 H new ATOM 0 HA MET A 164 3.242 7.861 4.765 1.00 0.00 H new ATOM 0 HB2 MET A 164 5.418 7.469 5.659 1.00 0.00 H new ATOM 0 HB3 MET A 164 4.429 6.102 6.134 1.00 0.00 H new ATOM 0 HG2 MET A 164 6.153 4.856 5.379 1.00 0.00 H new ATOM 0 HG3 MET A 164 5.470 5.154 3.793 1.00 0.00 H new ATOM 0 HE1 MET A 164 9.361 5.430 5.102 1.00 0.00 H new ATOM 0 HE2 MET A 164 8.111 4.243 4.661 1.00 0.00 H new ATOM 0 HE3 MET A 164 9.124 4.979 3.397 1.00 0.00 H new ATOM 583 N VAL A 165 4.242 8.843 2.738 1.00 0.00 N ATOM 584 CA VAL A 165 4.786 9.451 1.530 1.00 0.00 C ATOM 585 C VAL A 165 6.072 10.214 1.830 1.00 0.00 C ATOM 586 O VAL A 165 6.326 10.601 2.970 1.00 0.00 O ATOM 587 CB VAL A 165 3.776 10.411 0.875 1.00 0.00 C ATOM 588 CG1 VAL A 165 2.652 9.631 0.211 1.00 0.00 C ATOM 589 CG2 VAL A 165 3.223 11.386 1.904 1.00 0.00 C ATOM 0 H VAL A 165 3.720 9.484 3.335 1.00 0.00 H new ATOM 0 HA VAL A 165 5.000 8.636 0.838 1.00 0.00 H new ATOM 0 HB VAL A 165 4.293 10.984 0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 165 1.948 10.326 -0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 165 3.067 8.977 -0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 165 2.135 9.030 0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 165 2.511 12.057 1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 165 2.721 10.832 2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 165 4.040 11.969 2.329 1.00 0.00 H new ATOM 599 N THR A 166 6.881 10.428 0.797 1.00 0.00 N ATOM 600 CA THR A 166 8.142 11.145 0.947 1.00 0.00 C ATOM 601 C THR A 166 8.443 11.978 -0.295 1.00 0.00 C ATOM 602 O THR A 166 8.104 11.587 -1.413 1.00 0.00 O ATOM 603 CB THR A 166 9.284 10.162 1.207 1.00 0.00 C ATOM 604 OG1 THR A 166 9.290 9.133 0.233 1.00 0.00 O ATOM 605 CG2 THR A 166 9.213 9.505 2.569 1.00 0.00 C ATOM 0 H THR A 166 6.685 10.115 -0.154 1.00 0.00 H new ATOM 0 HA THR A 166 8.051 11.817 1.800 1.00 0.00 H new ATOM 0 HB THR A 166 10.195 10.759 1.158 1.00 0.00 H new ATOM 0 HG1 THR A 166 10.028 8.515 0.415 1.00 0.00 H new ATOM 0 HG21 THR A 166 10.053 8.820 2.687 1.00 0.00 H new ATOM 0 HG22 THR A 166 9.257 10.270 3.345 1.00 0.00 H new ATOM 0 HG23 THR A 166 8.278 8.951 2.658 1.00 0.00 H new ATOM 613 N ILE A 167 9.080 13.127 -0.093 1.00 0.00 N ATOM 614 CA ILE A 167 9.426 14.014 -1.198 1.00 0.00 C ATOM 615 C ILE A 167 10.886 14.447 -1.120 1.00 0.00 C ATOM 616 O ILE A 167 11.222 15.411 -0.432 1.00 0.00 O ATOM 617 CB ILE A 167 8.531 15.267 -1.215 1.00 0.00 C ATOM 618 CG1 ILE A 167 7.059 14.873 -1.071 1.00 0.00 C ATOM 619 CG2 ILE A 167 8.751 16.056 -2.497 1.00 0.00 C ATOM 620 CD1 ILE A 167 6.571 14.874 0.360 1.00 0.00 C ATOM 0 H ILE A 167 9.367 13.466 0.825 1.00 0.00 H new ATOM 0 HA ILE A 167 9.266 13.450 -2.117 1.00 0.00 H new ATOM 0 HB ILE A 167 8.801 15.900 -0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 167 6.448 15.561 -1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 167 6.914 13.879 -1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 167 8.112 16.939 -2.495 1.00 0.00 H new ATOM 0 HG22 ILE A 167 9.795 16.364 -2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 167 8.504 15.431 -3.356 1.00 0.00 H new ATOM 0 HD11 ILE A 167 5.520 14.585 0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 167 7.157 14.165 0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 167 6.684 15.873 0.782 1.00 0.00 H new ATOM 632 N PHE A 168 11.750 13.729 -1.829 1.00 0.00 N ATOM 633 CA PHE A 168 13.175 14.038 -1.842 1.00 0.00 C ATOM 634 C PHE A 168 13.765 13.950 -0.438 1.00 0.00 C ATOM 635 O PHE A 168 14.623 14.748 -0.061 1.00 0.00 O ATOM 636 CB PHE A 168 13.409 15.437 -2.417 1.00 0.00 C ATOM 637 CG PHE A 168 13.251 15.507 -3.910 1.00 0.00 C ATOM 638 CD1 PHE A 168 14.246 15.029 -4.748 1.00 0.00 C ATOM 639 CD2 PHE A 168 12.109 16.051 -4.474 1.00 0.00 C ATOM 640 CE1 PHE A 168 14.105 15.094 -6.121 1.00 0.00 C ATOM 641 CE2 PHE A 168 11.962 16.118 -5.847 1.00 0.00 C ATOM 642 CZ PHE A 168 12.962 15.638 -6.671 1.00 0.00 C ATOM 0 H PHE A 168 11.488 12.928 -2.403 1.00 0.00 H new ATOM 0 HA PHE A 168 13.674 13.303 -2.473 1.00 0.00 H new ATOM 0 HB2 PHE A 168 12.710 16.133 -1.953 1.00 0.00 H new ATOM 0 HB3 PHE A 168 14.413 15.767 -2.150 1.00 0.00 H new ATOM 0 HD1 PHE A 168 15.142 14.601 -4.323 1.00 0.00 H new ATOM 0 HD2 PHE A 168 11.325 16.427 -3.834 1.00 0.00 H new ATOM 0 HE1 PHE A 168 14.888 14.719 -6.763 1.00 0.00 H new ATOM 0 HE2 PHE A 168 11.067 16.545 -6.275 1.00 0.00 H new ATOM 0 HZ PHE A 168 12.849 15.688 -7.744 1.00 0.00 H new ATOM 652 N GLY A 169 13.296 12.975 0.335 1.00 0.00 N ATOM 653 CA GLY A 169 13.788 12.801 1.689 1.00 0.00 C ATOM 654 C GLY A 169 12.958 13.555 2.709 1.00 0.00 C ATOM 655 O GLY A 169 13.463 13.948 3.761 1.00 0.00 O ATOM 0 H GLY A 169 12.584 12.303 0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 169 13.789 11.740 1.938 1.00 0.00 H new ATOM 0 HA3 GLY A 169 14.822 13.142 1.743 1.00 0.00 H new ATOM 659 N ARG A 170 11.682 13.757 2.398 1.00 0.00 N ATOM 660 CA ARG A 170 10.781 14.470 3.297 1.00 0.00 C ATOM 661 C ARG A 170 9.581 13.602 3.667 1.00 0.00 C ATOM 662 O ARG A 170 8.549 13.634 2.996 1.00 0.00 O ATOM 663 CB ARG A 170 10.303 15.770 2.647 1.00 0.00 C ATOM 664 CG ARG A 170 10.183 16.929 3.624 1.00 0.00 C ATOM 665 CD ARG A 170 11.548 17.460 4.031 1.00 0.00 C ATOM 666 NE ARG A 170 11.569 18.918 4.102 1.00 0.00 N ATOM 667 CZ ARG A 170 11.675 19.711 3.037 1.00 0.00 C ATOM 668 NH1 ARG A 170 11.769 19.189 1.820 1.00 0.00 N ATOM 669 NH2 ARG A 170 11.687 21.027 3.190 1.00 0.00 N ATOM 0 H ARG A 170 11.249 13.438 1.532 1.00 0.00 H new ATOM 0 HA ARG A 170 11.330 14.707 4.208 1.00 0.00 H new ATOM 0 HB2 ARG A 170 10.996 16.046 1.852 1.00 0.00 H new ATOM 0 HB3 ARG A 170 9.334 15.598 2.179 1.00 0.00 H new ATOM 0 HG2 ARG A 170 9.601 17.730 3.169 1.00 0.00 H new ATOM 0 HG3 ARG A 170 9.639 16.604 4.511 1.00 0.00 H new ATOM 0 HD2 ARG A 170 11.824 17.046 5.001 1.00 0.00 H new ATOM 0 HD3 ARG A 170 12.297 17.121 3.315 1.00 0.00 H new ATOM 0 HE ARG A 170 11.498 19.355 5.021 1.00 0.00 H new ATOM 0 HH11 ARG A 170 11.760 18.176 1.697 1.00 0.00 H new ATOM 0 HH12 ARG A 170 11.850 19.800 1.008 1.00 0.00 H new ATOM 0 HH21 ARG A 170 11.615 21.433 4.123 1.00 0.00 H new ATOM 0 HH22 ARG A 170 11.768 21.634 2.375 1.00 0.00 H new ATOM 683 N GLU A 171 9.726 12.826 4.736 1.00 0.00 N ATOM 684 CA GLU A 171 8.655 11.950 5.198 1.00 0.00 C ATOM 685 C GLU A 171 7.403 12.752 5.535 1.00 0.00 C ATOM 686 O GLU A 171 7.488 13.875 6.031 1.00 0.00 O ATOM 687 CB GLU A 171 9.113 11.152 6.421 1.00 0.00 C ATOM 688 CG GLU A 171 9.589 9.747 6.088 1.00 0.00 C ATOM 689 CD GLU A 171 9.127 8.720 7.103 1.00 0.00 C ATOM 690 OE1 GLU A 171 9.551 8.811 8.274 1.00 0.00 O ATOM 691 OE2 GLU A 171 8.341 7.826 6.728 1.00 0.00 O ATOM 0 H GLU A 171 10.575 12.786 5.299 1.00 0.00 H new ATOM 0 HA GLU A 171 8.412 11.257 4.393 1.00 0.00 H new ATOM 0 HB2 GLU A 171 9.920 11.692 6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 171 8.289 11.089 7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 171 9.222 9.467 5.101 1.00 0.00 H new ATOM 0 HG3 GLU A 171 10.678 9.738 6.038 1.00 0.00 H new ATOM 698 N THR A 172 6.240 12.168 5.262 1.00 0.00 N ATOM 699 CA THR A 172 4.970 12.829 5.538 1.00 0.00 C ATOM 700 C THR A 172 3.838 11.808 5.647 1.00 0.00 C ATOM 701 O THR A 172 3.196 11.473 4.652 1.00 0.00 O ATOM 702 CB THR A 172 4.652 13.845 4.439 1.00 0.00 C ATOM 703 OG1 THR A 172 5.836 14.263 3.785 1.00 0.00 O ATOM 704 CG2 THR A 172 3.950 15.083 4.955 1.00 0.00 C ATOM 0 H THR A 172 6.151 11.239 4.850 1.00 0.00 H new ATOM 0 HA THR A 172 5.058 13.350 6.491 1.00 0.00 H new ATOM 0 HB THR A 172 3.983 13.328 3.751 1.00 0.00 H new ATOM 0 HG1 THR A 172 5.612 14.911 3.085 1.00 0.00 H new ATOM 0 HG21 THR A 172 3.754 15.762 4.125 1.00 0.00 H new ATOM 0 HG22 THR A 172 3.007 14.799 5.422 1.00 0.00 H new ATOM 0 HG23 THR A 172 4.583 15.581 5.689 1.00 0.00 H new ATOM 712 N PRO A 173 3.579 11.300 6.864 1.00 0.00 N ATOM 713 CA PRO A 173 2.518 10.313 7.099 1.00 0.00 C ATOM 714 C PRO A 173 1.139 10.846 6.725 1.00 0.00 C ATOM 715 O PRO A 173 0.721 11.901 7.202 1.00 0.00 O ATOM 716 CB PRO A 173 2.595 10.044 8.608 1.00 0.00 C ATOM 717 CG PRO A 173 3.955 10.499 9.015 1.00 0.00 C ATOM 718 CD PRO A 173 4.296 11.641 8.104 1.00 0.00 C ATOM 0 HA PRO A 173 2.657 9.420 6.489 1.00 0.00 H new ATOM 0 HB2 PRO A 173 1.820 10.590 9.146 1.00 0.00 H new ATOM 0 HB3 PRO A 173 2.451 8.986 8.828 1.00 0.00 H new ATOM 0 HG2 PRO A 173 3.965 10.815 10.058 1.00 0.00 H new ATOM 0 HG3 PRO A 173 4.682 9.692 8.919 1.00 0.00 H new ATOM 0 HD2 PRO A 173 3.965 12.596 8.512 1.00 0.00 H new ATOM 0 HD3 PRO A 173 5.371 11.720 7.940 1.00 0.00 H new ATOM 726 N VAL A 174 0.437 10.107 5.872 1.00 0.00 N ATOM 727 CA VAL A 174 -0.897 10.503 5.436 1.00 0.00 C ATOM 728 C VAL A 174 -1.731 9.284 5.056 1.00 0.00 C ATOM 729 O VAL A 174 -1.200 8.277 4.585 1.00 0.00 O ATOM 730 CB VAL A 174 -0.833 11.465 4.233 1.00 0.00 C ATOM 731 CG1 VAL A 174 -2.222 11.966 3.871 1.00 0.00 C ATOM 732 CG2 VAL A 174 0.101 12.628 4.530 1.00 0.00 C ATOM 0 H VAL A 174 0.770 9.231 5.469 1.00 0.00 H new ATOM 0 HA VAL A 174 -1.367 11.016 6.275 1.00 0.00 H new ATOM 0 HB VAL A 174 -0.437 10.919 3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 174 -2.154 12.643 3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 174 -2.858 11.120 3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 174 -2.651 12.495 4.722 1.00 0.00 H new ATOM 0 HG21 VAL A 174 0.134 13.297 3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 174 -0.263 13.174 5.400 1.00 0.00 H new ATOM 0 HG23 VAL A 174 1.102 12.248 4.733 1.00 0.00 H new ATOM 742 N GLU A 175 -3.041 9.382 5.262 1.00 0.00 N ATOM 743 CA GLU A 175 -3.948 8.286 4.941 1.00 0.00 C ATOM 744 C GLU A 175 -4.259 8.259 3.447 1.00 0.00 C ATOM 745 O GLU A 175 -4.351 9.302 2.802 1.00 0.00 O ATOM 746 CB GLU A 175 -5.244 8.416 5.743 1.00 0.00 C ATOM 747 CG GLU A 175 -5.869 9.800 5.670 1.00 0.00 C ATOM 748 CD GLU A 175 -7.370 9.753 5.460 1.00 0.00 C ATOM 749 OE1 GLU A 175 -7.975 8.699 5.743 1.00 0.00 O ATOM 750 OE2 GLU A 175 -7.938 10.771 5.013 1.00 0.00 O ATOM 0 H GLU A 175 -3.497 10.208 5.649 1.00 0.00 H new ATOM 0 HA GLU A 175 -3.458 7.350 5.209 1.00 0.00 H new ATOM 0 HB2 GLU A 175 -5.963 7.682 5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 175 -5.042 8.172 6.786 1.00 0.00 H new ATOM 0 HG2 GLU A 175 -5.652 10.341 6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 175 -5.409 10.359 4.855 1.00 0.00 H new ATOM 757 N LEU A 176 -4.418 7.056 2.903 1.00 0.00 N ATOM 758 CA LEU A 176 -4.718 6.892 1.486 1.00 0.00 C ATOM 759 C LEU A 176 -5.965 6.057 1.280 1.00 0.00 C ATOM 760 O LEU A 176 -6.650 5.680 2.231 1.00 0.00 O ATOM 761 CB LEU A 176 -3.560 6.201 0.766 1.00 0.00 C ATOM 762 CG LEU A 176 -2.583 7.134 0.046 1.00 0.00 C ATOM 763 CD1 LEU A 176 -1.256 6.432 -0.201 1.00 0.00 C ATOM 764 CD2 LEU A 176 -3.180 7.624 -1.264 1.00 0.00 C ATOM 0 H LEU A 176 -4.344 6.181 3.422 1.00 0.00 H new ATOM 0 HA LEU A 176 -4.875 7.890 1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -3.003 5.611 1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -3.972 5.503 0.038 1.00 0.00 H new ATOM 0 HG LEU A 176 -2.400 7.998 0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -0.575 7.111 -0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -0.820 6.132 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -1.421 5.549 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -2.471 8.286 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -3.394 6.771 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -4.103 8.167 -1.062 1.00 0.00 H new ATOM 776 N ASP A 177 -6.228 5.743 0.018 1.00 0.00 N ATOM 777 CA ASP A 177 -7.360 4.918 -0.340 1.00 0.00 C ATOM 778 C ASP A 177 -7.077 4.183 -1.643 1.00 0.00 C ATOM 779 O ASP A 177 -6.282 4.638 -2.464 1.00 0.00 O ATOM 780 CB ASP A 177 -8.637 5.754 -0.473 1.00 0.00 C ATOM 781 CG ASP A 177 -8.743 6.836 0.584 1.00 0.00 C ATOM 782 OD1 ASP A 177 -9.071 6.505 1.743 1.00 0.00 O ATOM 783 OD2 ASP A 177 -8.498 8.015 0.254 1.00 0.00 O ATOM 0 H ASP A 177 -5.665 6.052 -0.774 1.00 0.00 H new ATOM 0 HA ASP A 177 -7.515 4.191 0.457 1.00 0.00 H new ATOM 0 HB2 ASP A 177 -8.664 6.214 -1.461 1.00 0.00 H new ATOM 0 HB3 ASP A 177 -9.504 5.098 -0.403 1.00 0.00 H new ATOM 788 N PHE A 178 -7.724 3.041 -1.818 1.00 0.00 N ATOM 789 CA PHE A 178 -7.548 2.221 -3.018 1.00 0.00 C ATOM 790 C PHE A 178 -7.521 3.075 -4.286 1.00 0.00 C ATOM 791 O PHE A 178 -6.584 2.991 -5.081 1.00 0.00 O ATOM 792 CB PHE A 178 -8.666 1.180 -3.114 1.00 0.00 C ATOM 793 CG PHE A 178 -8.221 -0.211 -2.765 1.00 0.00 C ATOM 794 CD1 PHE A 178 -7.533 -0.457 -1.586 1.00 0.00 C ATOM 795 CD2 PHE A 178 -8.488 -1.271 -3.614 1.00 0.00 C ATOM 796 CE1 PHE A 178 -7.123 -1.737 -1.262 1.00 0.00 C ATOM 797 CE2 PHE A 178 -8.079 -2.553 -3.295 1.00 0.00 C ATOM 798 CZ PHE A 178 -7.395 -2.786 -2.118 1.00 0.00 C ATOM 0 H PHE A 178 -8.382 2.654 -1.141 1.00 0.00 H new ATOM 0 HA PHE A 178 -6.586 1.715 -2.934 1.00 0.00 H new ATOM 0 HB2 PHE A 178 -9.480 1.470 -2.449 1.00 0.00 H new ATOM 0 HB3 PHE A 178 -9.067 1.181 -4.128 1.00 0.00 H new ATOM 0 HD1 PHE A 178 -7.315 0.360 -0.914 1.00 0.00 H new ATOM 0 HD2 PHE A 178 -9.022 -1.095 -4.536 1.00 0.00 H new ATOM 0 HE1 PHE A 178 -6.590 -1.916 -0.340 1.00 0.00 H new ATOM 0 HE2 PHE A 178 -8.294 -3.371 -3.966 1.00 0.00 H new ATOM 0 HZ PHE A 178 -7.074 -3.786 -1.868 1.00 0.00 H new ATOM 808 N SER A 179 -8.552 3.894 -4.470 1.00 0.00 N ATOM 809 CA SER A 179 -8.642 4.760 -5.645 1.00 0.00 C ATOM 810 C SER A 179 -7.674 5.939 -5.545 1.00 0.00 C ATOM 811 O SER A 179 -7.483 6.678 -6.510 1.00 0.00 O ATOM 812 CB SER A 179 -10.072 5.276 -5.811 1.00 0.00 C ATOM 813 OG SER A 179 -11.014 4.231 -5.646 1.00 0.00 O ATOM 0 H SER A 179 -9.336 3.978 -3.823 1.00 0.00 H new ATOM 0 HA SER A 179 -8.366 4.167 -6.517 1.00 0.00 H new ATOM 0 HB2 SER A 179 -10.265 6.062 -5.081 1.00 0.00 H new ATOM 0 HB3 SER A 179 -10.189 5.722 -6.799 1.00 0.00 H new ATOM 0 HG SER A 179 -11.920 4.587 -5.755 1.00 0.00 H new ATOM 819 N GLN A 180 -7.070 6.113 -4.374 1.00 0.00 N ATOM 820 CA GLN A 180 -6.127 7.203 -4.147 1.00 0.00 C ATOM 821 C GLN A 180 -4.679 6.724 -4.259 1.00 0.00 C ATOM 822 O GLN A 180 -3.756 7.535 -4.350 1.00 0.00 O ATOM 823 CB GLN A 180 -6.367 7.824 -2.769 1.00 0.00 C ATOM 824 CG GLN A 180 -6.991 9.208 -2.828 1.00 0.00 C ATOM 825 CD GLN A 180 -6.432 10.145 -1.776 1.00 0.00 C ATOM 826 OE1 GLN A 180 -6.045 11.275 -2.077 1.00 0.00 O ATOM 827 NE2 GLN A 180 -6.388 9.681 -0.534 1.00 0.00 N ATOM 0 H GLN A 180 -7.218 5.511 -3.564 1.00 0.00 H new ATOM 0 HA GLN A 180 -6.292 7.955 -4.919 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -7.016 7.166 -2.191 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -5.418 7.884 -2.236 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -6.824 9.636 -3.816 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -8.070 9.122 -2.696 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -6.719 8.738 -0.330 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -6.023 10.267 0.217 1.00 0.00 H new ATOM 836 N VAL A 181 -4.484 5.409 -4.247 1.00 0.00 N ATOM 837 CA VAL A 181 -3.146 4.839 -4.346 1.00 0.00 C ATOM 838 C VAL A 181 -3.103 3.716 -5.377 1.00 0.00 C ATOM 839 O VAL A 181 -4.133 3.148 -5.740 1.00 0.00 O ATOM 840 CB VAL A 181 -2.656 4.320 -2.973 1.00 0.00 C ATOM 841 CG1 VAL A 181 -3.775 3.599 -2.236 1.00 0.00 C ATOM 842 CG2 VAL A 181 -1.440 3.414 -3.112 1.00 0.00 C ATOM 0 H VAL A 181 -5.233 4.721 -4.170 1.00 0.00 H new ATOM 0 HA VAL A 181 -2.476 5.635 -4.672 1.00 0.00 H new ATOM 0 HB VAL A 181 -2.356 5.189 -2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -3.407 3.243 -1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -4.606 4.286 -2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -4.115 2.751 -2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -1.127 3.071 -2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -1.696 2.554 -3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -0.625 3.968 -3.579 1.00 0.00 H new ATOM 852 N VAL A 182 -1.901 3.406 -5.842 1.00 0.00 N ATOM 853 CA VAL A 182 -1.707 2.354 -6.834 1.00 0.00 C ATOM 854 C VAL A 182 -0.469 1.519 -6.524 1.00 0.00 C ATOM 855 O VAL A 182 0.525 2.032 -6.012 1.00 0.00 O ATOM 856 CB VAL A 182 -1.574 2.938 -8.253 1.00 0.00 C ATOM 857 CG1 VAL A 182 -2.846 3.670 -8.649 1.00 0.00 C ATOM 858 CG2 VAL A 182 -0.370 3.863 -8.345 1.00 0.00 C ATOM 0 H VAL A 182 -1.041 3.869 -5.548 1.00 0.00 H new ATOM 0 HA VAL A 182 -2.590 1.716 -6.790 1.00 0.00 H new ATOM 0 HB VAL A 182 -1.421 2.114 -8.950 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.734 4.076 -9.654 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -3.686 2.976 -8.629 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -3.031 4.484 -7.948 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.296 4.264 -9.356 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -0.487 4.683 -7.637 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.536 3.305 -8.108 1.00 0.00 H new ATOM 868 N LYS A 183 -0.536 0.230 -6.842 1.00 0.00 N ATOM 869 CA LYS A 183 0.582 -0.676 -6.600 1.00 0.00 C ATOM 870 C LYS A 183 1.670 -0.492 -7.652 1.00 0.00 C ATOM 871 O LYS A 183 1.384 -0.399 -8.846 1.00 0.00 O ATOM 872 CB LYS A 183 0.100 -2.127 -6.598 1.00 0.00 C ATOM 873 CG LYS A 183 1.048 -3.082 -5.890 1.00 0.00 C ATOM 874 CD LYS A 183 1.915 -3.847 -6.878 1.00 0.00 C ATOM 875 CE LYS A 183 1.486 -5.301 -6.990 1.00 0.00 C ATOM 876 NZ LYS A 183 0.219 -5.450 -7.759 1.00 0.00 N ATOM 0 H LYS A 183 -1.352 -0.211 -7.267 1.00 0.00 H new ATOM 0 HA LYS A 183 1.003 -0.439 -5.623 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -0.877 -2.176 -6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 183 -0.034 -2.458 -7.628 1.00 0.00 H new ATOM 0 HG2 LYS A 183 1.684 -2.522 -5.205 1.00 0.00 H new ATOM 0 HG3 LYS A 183 0.473 -3.786 -5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 183 1.856 -3.373 -7.858 1.00 0.00 H new ATOM 0 HD3 LYS A 183 2.957 -3.798 -6.563 1.00 0.00 H new ATOM 0 HE2 LYS A 183 2.275 -5.876 -7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 183 1.356 -5.719 -5.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -0.039 -6.456 -7.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -0.540 -4.923 -7.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 0.350 -5.075 -8.720 1.00 0.00 H new ATOM 890 N ALA A 184 2.919 -0.437 -7.202 1.00 0.00 N ATOM 891 CA ALA A 184 4.051 -0.264 -8.104 1.00 0.00 C ATOM 892 C ALA A 184 4.654 -1.608 -8.493 1.00 0.00 C ATOM 893 O ALA A 184 5.087 -1.748 -9.656 1.00 0.00 O ATOM 894 CB ALA A 184 5.105 0.626 -7.461 1.00 0.00 C ATOM 895 OXT ALA A 184 4.689 -2.511 -7.630 1.00 0.00 O ATOM 0 H ALA A 184 3.173 -0.510 -6.217 1.00 0.00 H new ATOM 0 HA ALA A 184 3.690 0.217 -9.013 1.00 0.00 H new ATOM 0 HB1 ALA A 184 5.945 0.747 -8.145 1.00 0.00 H new ATOM 0 HB2 ALA A 184 4.672 1.602 -7.241 1.00 0.00 H new ATOM 0 HB3 ALA A 184 5.454 0.167 -6.536 1.00 0.00 H new TER 901 ALA A 184