USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=7 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 136 GLN : amide:sc= -0.335 X(o=-0.32,f=-0.068) USER MOD Set 1.2: A 148 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 128 GLN : amide:sc=-0.00592 X(o=-0.0059,f=0) USER MOD Single : A 141 SER OG : rot 155:sc= 0.533 USER MOD Single : A 150 THR OG1 : rot 180:sc= -0.0144 USER MOD Single : A 152 THR OG1 : rot -75:sc= 0.127 USER MOD Single : A 155 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.4!) 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 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 166 THR OG1 : rot 180:sc=-0.00115 USER MOD Single : A 172 THR OG1 : rot -80:sc= -5.43! USER MOD Single : A 179 SER OG : rot 180:sc= 0 USER MOD Single : A 180 GLN : amide:sc=-0.000612 X(o=-0.00061,f=-0.38) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 127 -8.015 -18.786 -2.974 1.00 0.00 N ATOM 2 CA ALA A 127 -7.482 -18.150 -1.740 1.00 0.00 C ATOM 3 C ALA A 127 -6.135 -17.486 -2.005 1.00 0.00 C ATOM 4 O ALA A 127 -5.141 -17.788 -1.347 1.00 0.00 O ATOM 5 CB ALA A 127 -7.355 -19.184 -0.631 1.00 0.00 C ATOM 0 HA ALA A 127 -8.182 -17.377 -1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -6.964 -18.707 0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -8.335 -19.611 -0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -6.675 -19.975 -0.947 1.00 0.00 H new ATOM 13 N GLN A 128 -6.112 -16.580 -2.978 1.00 0.00 N ATOM 14 CA GLN A 128 -4.887 -15.871 -3.332 1.00 0.00 C ATOM 15 C GLN A 128 -4.799 -14.537 -2.599 1.00 0.00 C ATOM 16 O GLN A 128 -5.779 -14.066 -2.024 1.00 0.00 O ATOM 17 CB GLN A 128 -4.823 -15.644 -4.844 1.00 0.00 C ATOM 18 CG GLN A 128 -3.443 -15.873 -5.437 1.00 0.00 C ATOM 19 CD GLN A 128 -3.263 -17.284 -5.961 1.00 0.00 C ATOM 20 OE1 GLN A 128 -3.372 -17.532 -7.162 1.00 0.00 O ATOM 21 NE2 GLN A 128 -2.983 -18.219 -5.059 1.00 0.00 N ATOM 0 H GLN A 128 -6.926 -16.320 -3.534 1.00 0.00 H new ATOM 0 HA GLN A 128 -4.040 -16.486 -3.029 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -5.534 -16.310 -5.333 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -5.139 -14.624 -5.063 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -3.277 -15.164 -6.248 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -2.687 -15.672 -4.678 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -2.902 -17.969 -4.073 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -2.849 -19.187 -5.352 1.00 0.00 H new ATOM 30 N VAL A 129 -3.616 -13.930 -2.626 1.00 0.00 N ATOM 31 CA VAL A 129 -3.398 -12.648 -1.966 1.00 0.00 C ATOM 32 C VAL A 129 -3.235 -11.526 -2.986 1.00 0.00 C ATOM 33 O VAL A 129 -2.198 -11.413 -3.640 1.00 0.00 O ATOM 34 CB VAL A 129 -2.153 -12.688 -1.060 1.00 0.00 C ATOM 35 CG1 VAL A 129 -2.056 -11.417 -0.230 1.00 0.00 C ATOM 36 CG2 VAL A 129 -2.182 -13.917 -0.164 1.00 0.00 C ATOM 0 H VAL A 129 -2.794 -14.306 -3.098 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.278 -12.453 -1.353 1.00 0.00 H new ATOM 0 HB VAL A 129 -1.268 -12.750 -1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -1.170 -11.463 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.984 -10.554 -0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -2.944 -11.321 0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -1.294 -13.927 0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -3.074 -13.890 0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -2.199 -14.816 -0.780 1.00 0.00 H new ATOM 46 N ALA A 130 -4.268 -10.699 -3.116 1.00 0.00 N ATOM 47 CA ALA A 130 -4.240 -9.586 -4.057 1.00 0.00 C ATOM 48 C ALA A 130 -3.388 -8.438 -3.527 1.00 0.00 C ATOM 49 O ALA A 130 -2.755 -7.714 -4.297 1.00 0.00 O ATOM 50 CB ALA A 130 -5.655 -9.105 -4.347 1.00 0.00 C ATOM 0 H ALA A 130 -5.133 -10.779 -2.582 1.00 0.00 H new ATOM 0 HA ALA A 130 -3.789 -9.939 -4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -5.620 -8.274 -5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -6.235 -9.921 -4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -6.124 -8.776 -3.420 1.00 0.00 H new ATOM 56 N PHE A 131 -3.375 -8.276 -2.210 1.00 0.00 N ATOM 57 CA PHE A 131 -2.600 -7.215 -1.576 1.00 0.00 C ATOM 58 C PHE A 131 -2.079 -7.661 -0.214 1.00 0.00 C ATOM 59 O PHE A 131 -2.699 -8.483 0.461 1.00 0.00 O ATOM 60 CB PHE A 131 -3.453 -5.956 -1.422 1.00 0.00 C ATOM 61 CG PHE A 131 -2.650 -4.688 -1.361 1.00 0.00 C ATOM 62 CD1 PHE A 131 -2.226 -4.062 -2.524 1.00 0.00 C ATOM 63 CD2 PHE A 131 -2.317 -4.121 -0.141 1.00 0.00 C ATOM 64 CE1 PHE A 131 -1.487 -2.897 -2.469 1.00 0.00 C ATOM 65 CE2 PHE A 131 -1.577 -2.956 -0.081 1.00 0.00 C ATOM 66 CZ PHE A 131 -1.162 -2.342 -1.246 1.00 0.00 C ATOM 0 H PHE A 131 -3.893 -8.866 -1.559 1.00 0.00 H new ATOM 0 HA PHE A 131 -1.746 -6.991 -2.215 1.00 0.00 H new ATOM 0 HB2 PHE A 131 -4.150 -5.895 -2.258 1.00 0.00 H new ATOM 0 HB3 PHE A 131 -4.051 -6.041 -0.515 1.00 0.00 H new ATOM 0 HD1 PHE A 131 -2.477 -4.491 -3.483 1.00 0.00 H new ATOM 0 HD2 PHE A 131 -2.640 -4.596 0.774 1.00 0.00 H new ATOM 0 HE1 PHE A 131 -1.163 -2.419 -3.382 1.00 0.00 H new ATOM 0 HE2 PHE A 131 -1.323 -2.526 0.877 1.00 0.00 H new ATOM 0 HZ PHE A 131 -0.585 -1.430 -1.201 1.00 0.00 H new ATOM 76 N ARG A 132 -0.935 -7.114 0.185 1.00 0.00 N ATOM 77 CA ARG A 132 -0.330 -7.456 1.468 1.00 0.00 C ATOM 78 C ARG A 132 0.143 -6.206 2.200 1.00 0.00 C ATOM 79 O ARG A 132 0.437 -5.184 1.579 1.00 0.00 O ATOM 80 CB ARG A 132 0.845 -8.414 1.262 1.00 0.00 C ATOM 81 CG ARG A 132 0.984 -9.451 2.364 1.00 0.00 C ATOM 82 CD ARG A 132 2.438 -9.660 2.754 1.00 0.00 C ATOM 83 NE ARG A 132 2.710 -11.046 3.129 1.00 0.00 N ATOM 84 CZ ARG A 132 3.934 -11.556 3.249 1.00 0.00 C ATOM 85 NH1 ARG A 132 5.001 -10.799 3.022 1.00 0.00 N ATOM 86 NH2 ARG A 132 4.092 -12.826 3.595 1.00 0.00 N ATOM 0 H ARG A 132 -0.408 -6.432 -0.361 1.00 0.00 H new ATOM 0 HA ARG A 132 -1.089 -7.946 2.078 1.00 0.00 H new ATOM 0 HB2 ARG A 132 0.723 -8.925 0.307 1.00 0.00 H new ATOM 0 HB3 ARG A 132 1.767 -7.836 1.199 1.00 0.00 H new ATOM 0 HG2 ARG A 132 0.414 -9.134 3.237 1.00 0.00 H new ATOM 0 HG3 ARG A 132 0.556 -10.397 2.031 1.00 0.00 H new ATOM 0 HD2 ARG A 132 3.081 -9.377 1.921 1.00 0.00 H new ATOM 0 HD3 ARG A 132 2.688 -9.003 3.587 1.00 0.00 H new ATOM 0 HE ARG A 132 1.915 -11.659 3.310 1.00 0.00 H new ATOM 0 HH11 ARG A 132 4.885 -9.822 2.754 1.00 0.00 H new ATOM 0 HH12 ARG A 132 5.936 -11.195 3.115 1.00 0.00 H new ATOM 0 HH21 ARG A 132 3.276 -13.412 3.769 1.00 0.00 H new ATOM 0 HH22 ARG A 132 5.030 -13.217 3.687 1.00 0.00 H new ATOM 100 N GLU A 133 0.214 -6.291 3.524 1.00 0.00 N ATOM 101 CA GLU A 133 0.653 -5.168 4.341 1.00 0.00 C ATOM 102 C GLU A 133 2.151 -4.930 4.177 1.00 0.00 C ATOM 103 O GLU A 133 2.962 -5.814 4.452 1.00 0.00 O ATOM 104 CB GLU A 133 0.324 -5.421 5.814 1.00 0.00 C ATOM 105 CG GLU A 133 0.760 -6.792 6.307 1.00 0.00 C ATOM 106 CD GLU A 133 1.512 -6.729 7.622 1.00 0.00 C ATOM 107 OE1 GLU A 133 2.226 -5.729 7.850 1.00 0.00 O ATOM 108 OE2 GLU A 133 1.387 -7.678 8.424 1.00 0.00 O ATOM 0 H GLU A 133 -0.028 -7.128 4.054 1.00 0.00 H new ATOM 0 HA GLU A 133 0.122 -4.277 4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 133 0.805 -4.655 6.422 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -0.751 -5.316 5.961 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -0.118 -7.427 6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 133 1.393 -7.260 5.553 1.00 0.00 H new ATOM 115 N GLY A 134 2.510 -3.733 3.726 1.00 0.00 N ATOM 116 CA GLY A 134 3.910 -3.403 3.532 1.00 0.00 C ATOM 117 C GLY A 134 4.254 -3.146 2.077 1.00 0.00 C ATOM 118 O GLY A 134 5.311 -2.593 1.772 1.00 0.00 O ATOM 0 H GLY A 134 1.857 -2.985 3.491 1.00 0.00 H new ATOM 0 HA2 GLY A 134 4.156 -2.519 4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 134 4.527 -4.219 3.909 1.00 0.00 H new ATOM 122 N ASP A 135 3.361 -3.545 1.173 1.00 0.00 N ATOM 123 CA ASP A 135 3.581 -3.354 -0.256 1.00 0.00 C ATOM 124 C ASP A 135 3.828 -1.883 -0.579 1.00 0.00 C ATOM 125 O ASP A 135 3.718 -1.019 0.292 1.00 0.00 O ATOM 126 CB ASP A 135 2.379 -3.868 -1.051 1.00 0.00 C ATOM 127 CG ASP A 135 2.508 -5.334 -1.412 1.00 0.00 C ATOM 128 OD1 ASP A 135 2.538 -6.173 -0.489 1.00 0.00 O ATOM 129 OD2 ASP A 135 2.580 -5.642 -2.621 1.00 0.00 O ATOM 0 H ASP A 135 2.479 -4.002 1.406 1.00 0.00 H new ATOM 0 HA ASP A 135 4.467 -3.922 -0.540 1.00 0.00 H new ATOM 0 HB2 ASP A 135 1.471 -3.719 -0.467 1.00 0.00 H new ATOM 0 HB3 ASP A 135 2.272 -3.280 -1.963 1.00 0.00 H new ATOM 134 N GLN A 136 4.162 -1.606 -1.835 1.00 0.00 N ATOM 135 CA GLN A 136 4.425 -0.240 -2.274 1.00 0.00 C ATOM 136 C GLN A 136 3.474 0.165 -3.396 1.00 0.00 C ATOM 137 O GLN A 136 3.163 -0.634 -4.279 1.00 0.00 O ATOM 138 CB GLN A 136 5.875 -0.105 -2.746 1.00 0.00 C ATOM 139 CG GLN A 136 6.898 -0.393 -1.660 1.00 0.00 C ATOM 140 CD GLN A 136 7.970 0.677 -1.568 1.00 0.00 C ATOM 141 OE1 GLN A 136 9.161 0.375 -1.511 1.00 0.00 O ATOM 142 NE2 GLN A 136 7.549 1.936 -1.554 1.00 0.00 N ATOM 0 H GLN A 136 4.257 -2.310 -2.567 1.00 0.00 H new ATOM 0 HA GLN A 136 4.261 0.425 -1.426 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.042 -0.786 -3.580 1.00 0.00 H new ATOM 0 HB3 GLN A 136 6.033 0.905 -3.123 1.00 0.00 H new ATOM 0 HG2 GLN A 136 6.389 -0.475 -0.700 1.00 0.00 H new ATOM 0 HG3 GLN A 136 7.368 -1.357 -1.855 1.00 0.00 H new ATOM 0 HE21 GLN A 136 6.551 2.141 -1.603 1.00 0.00 H new ATOM 0 HE22 GLN A 136 8.224 2.699 -1.494 1.00 0.00 H new ATOM 151 N VAL A 137 3.015 1.411 -3.352 1.00 0.00 N ATOM 152 CA VAL A 137 2.098 1.924 -4.364 1.00 0.00 C ATOM 153 C VAL A 137 2.374 3.397 -4.657 1.00 0.00 C ATOM 154 O VAL A 137 2.642 4.177 -3.745 1.00 0.00 O ATOM 155 CB VAL A 137 0.632 1.768 -3.921 1.00 0.00 C ATOM 156 CG1 VAL A 137 0.244 0.299 -3.862 1.00 0.00 C ATOM 157 CG2 VAL A 137 0.407 2.441 -2.575 1.00 0.00 C ATOM 0 H VAL A 137 3.263 2.084 -2.627 1.00 0.00 H new ATOM 0 HA VAL A 137 2.262 1.338 -5.268 1.00 0.00 H new ATOM 0 HB VAL A 137 -0.005 2.258 -4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.796 0.210 -3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.364 -0.149 -4.848 1.00 0.00 H new ATOM 0 HG13 VAL A 137 0.885 -0.218 -3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.635 2.321 -2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.053 1.983 -1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.641 3.503 -2.655 1.00 0.00 H new ATOM 167 N ARG A 138 2.301 3.771 -5.931 1.00 0.00 N ATOM 168 CA ARG A 138 2.542 5.153 -6.331 1.00 0.00 C ATOM 169 C ARG A 138 1.310 6.015 -6.082 1.00 0.00 C ATOM 170 O ARG A 138 0.207 5.503 -5.892 1.00 0.00 O ATOM 171 CB ARG A 138 2.943 5.229 -7.808 1.00 0.00 C ATOM 172 CG ARG A 138 4.265 5.950 -8.045 1.00 0.00 C ATOM 173 CD ARG A 138 5.129 5.211 -9.055 1.00 0.00 C ATOM 174 NE ARG A 138 5.900 6.129 -9.891 1.00 0.00 N ATOM 175 CZ ARG A 138 7.025 6.722 -9.500 1.00 0.00 C ATOM 176 NH1 ARG A 138 7.515 6.499 -8.286 1.00 0.00 N ATOM 177 NH2 ARG A 138 7.665 7.540 -10.324 1.00 0.00 N ATOM 0 H ARG A 138 2.078 3.140 -6.701 1.00 0.00 H new ATOM 0 HA ARG A 138 3.363 5.536 -5.724 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.013 4.218 -8.209 1.00 0.00 H new ATOM 0 HB3 ARG A 138 2.156 5.739 -8.364 1.00 0.00 H new ATOM 0 HG2 ARG A 138 4.070 6.961 -8.402 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.804 6.043 -7.102 1.00 0.00 H new ATOM 0 HD2 ARG A 138 5.809 4.541 -8.529 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.496 4.589 -9.688 1.00 0.00 H new ATOM 0 HE ARG A 138 5.555 6.327 -10.830 1.00 0.00 H new ATOM 0 HH11 ARG A 138 7.028 5.870 -7.647 1.00 0.00 H new ATOM 0 HH12 ARG A 138 8.378 6.957 -7.992 1.00 0.00 H new ATOM 0 HH21 ARG A 138 7.295 7.715 -11.258 1.00 0.00 H new ATOM 0 HH22 ARG A 138 8.527 7.994 -10.024 1.00 0.00 H new ATOM 191 N VAL A 139 1.513 7.325 -6.075 1.00 0.00 N ATOM 192 CA VAL A 139 0.428 8.272 -5.842 1.00 0.00 C ATOM 193 C VAL A 139 -0.406 8.493 -7.104 1.00 0.00 C ATOM 194 O VAL A 139 0.070 8.274 -8.220 1.00 0.00 O ATOM 195 CB VAL A 139 0.977 9.624 -5.353 1.00 0.00 C ATOM 196 CG1 VAL A 139 -0.157 10.541 -4.928 1.00 0.00 C ATOM 197 CG2 VAL A 139 1.966 9.421 -4.212 1.00 0.00 C ATOM 0 H VAL A 139 2.423 7.759 -6.229 1.00 0.00 H new ATOM 0 HA VAL A 139 -0.212 7.841 -5.072 1.00 0.00 H new ATOM 0 HB VAL A 139 1.505 10.099 -6.180 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.252 11.491 -4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -0.821 10.716 -5.775 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.718 10.075 -4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.343 10.389 -3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 139 1.466 8.922 -3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 139 2.798 8.807 -4.556 1.00 0.00 H new ATOM 207 N VAL A 140 -1.657 8.913 -6.919 1.00 0.00 N ATOM 208 CA VAL A 140 -2.569 9.146 -8.039 1.00 0.00 C ATOM 209 C VAL A 140 -2.614 10.614 -8.458 1.00 0.00 C ATOM 210 O VAL A 140 -2.937 10.929 -9.604 1.00 0.00 O ATOM 211 CB VAL A 140 -3.998 8.704 -7.682 1.00 0.00 C ATOM 212 CG1 VAL A 140 -4.031 7.218 -7.357 1.00 0.00 C ATOM 213 CG2 VAL A 140 -4.535 9.529 -6.519 1.00 0.00 C ATOM 0 H VAL A 140 -2.063 9.099 -6.002 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.184 8.555 -8.870 1.00 0.00 H new ATOM 0 HB VAL A 140 -4.641 8.875 -8.545 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.050 6.923 -7.107 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -3.690 6.649 -8.222 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -3.376 7.016 -6.509 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -5.547 9.204 -6.279 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -3.894 9.391 -5.649 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -4.549 10.583 -6.796 1.00 0.00 H new ATOM 223 N SER A 141 -2.319 11.512 -7.525 1.00 0.00 N ATOM 224 CA SER A 141 -2.358 12.944 -7.808 1.00 0.00 C ATOM 225 C SER A 141 -1.108 13.398 -8.553 1.00 0.00 C ATOM 226 O SER A 141 -0.058 12.765 -8.466 1.00 0.00 O ATOM 227 CB SER A 141 -2.503 13.737 -6.509 1.00 0.00 C ATOM 228 OG SER A 141 -1.386 13.535 -5.663 1.00 0.00 O ATOM 0 H SER A 141 -2.051 11.276 -6.569 1.00 0.00 H new ATOM 0 HA SER A 141 -3.222 13.133 -8.445 1.00 0.00 H new ATOM 0 HB2 SER A 141 -2.604 14.798 -6.736 1.00 0.00 H new ATOM 0 HB3 SER A 141 -3.414 13.433 -5.993 1.00 0.00 H new ATOM 0 HG SER A 141 -1.283 14.307 -5.068 1.00 0.00 H new ATOM 234 N GLY A 142 -1.238 14.496 -9.294 1.00 0.00 N ATOM 235 CA GLY A 142 -0.121 15.023 -10.058 1.00 0.00 C ATOM 236 C GLY A 142 1.024 15.505 -9.183 1.00 0.00 C ATOM 237 O GLY A 142 2.138 14.991 -9.285 1.00 0.00 O ATOM 0 H GLY A 142 -2.102 15.032 -9.379 1.00 0.00 H new ATOM 0 HA2 GLY A 142 0.246 14.251 -10.734 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -0.470 15.849 -10.678 1.00 0.00 H new ATOM 241 N PRO A 143 0.785 16.500 -8.310 1.00 0.00 N ATOM 242 CA PRO A 143 1.820 17.041 -7.424 1.00 0.00 C ATOM 243 C PRO A 143 2.566 15.949 -6.662 1.00 0.00 C ATOM 244 O PRO A 143 3.709 16.140 -6.246 1.00 0.00 O ATOM 245 CB PRO A 143 1.044 17.943 -6.450 1.00 0.00 C ATOM 246 CG PRO A 143 -0.403 17.657 -6.694 1.00 0.00 C ATOM 247 CD PRO A 143 -0.502 17.179 -8.113 1.00 0.00 C ATOM 0 HA PRO A 143 2.589 17.571 -7.986 1.00 0.00 H new ATOM 0 HB2 PRO A 143 1.316 17.728 -5.417 1.00 0.00 H new ATOM 0 HB3 PRO A 143 1.270 18.995 -6.627 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -0.772 16.900 -6.002 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -1.008 18.551 -6.541 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -1.344 16.502 -8.255 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -0.636 18.005 -8.811 1.00 0.00 H new ATOM 255 N PHE A 144 1.912 14.805 -6.480 1.00 0.00 N ATOM 256 CA PHE A 144 2.515 13.684 -5.767 1.00 0.00 C ATOM 257 C PHE A 144 2.706 12.475 -6.684 1.00 0.00 C ATOM 258 O PHE A 144 3.110 11.408 -6.229 1.00 0.00 O ATOM 259 CB PHE A 144 1.635 13.275 -4.584 1.00 0.00 C ATOM 260 CG PHE A 144 1.148 14.423 -3.748 1.00 0.00 C ATOM 261 CD1 PHE A 144 1.993 15.468 -3.414 1.00 0.00 C ATOM 262 CD2 PHE A 144 -0.160 14.450 -3.294 1.00 0.00 C ATOM 263 CE1 PHE A 144 1.539 16.521 -2.643 1.00 0.00 C ATOM 264 CE2 PHE A 144 -0.620 15.497 -2.524 1.00 0.00 C ATOM 265 CZ PHE A 144 0.230 16.537 -2.196 1.00 0.00 C ATOM 0 H PHE A 144 0.965 14.630 -6.816 1.00 0.00 H new ATOM 0 HA PHE A 144 3.492 14.011 -5.411 1.00 0.00 H new ATOM 0 HB2 PHE A 144 0.773 12.725 -4.961 1.00 0.00 H new ATOM 0 HB3 PHE A 144 2.197 12.591 -3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 144 3.016 15.460 -3.759 1.00 0.00 H new ATOM 0 HD2 PHE A 144 -0.829 13.640 -3.546 1.00 0.00 H new ATOM 0 HE1 PHE A 144 2.206 17.332 -2.389 1.00 0.00 H new ATOM 0 HE2 PHE A 144 -1.643 15.505 -2.177 1.00 0.00 H new ATOM 0 HZ PHE A 144 -0.127 17.359 -1.593 1.00 0.00 H new ATOM 275 N ALA A 145 2.399 12.639 -7.969 1.00 0.00 N ATOM 276 CA ALA A 145 2.517 11.546 -8.934 1.00 0.00 C ATOM 277 C ALA A 145 3.971 11.170 -9.220 1.00 0.00 C ATOM 278 O ALA A 145 4.352 10.971 -10.375 1.00 0.00 O ATOM 279 CB ALA A 145 1.806 11.915 -10.228 1.00 0.00 C ATOM 0 H ALA A 145 2.067 13.517 -8.367 1.00 0.00 H new ATOM 0 HA ALA A 145 2.043 10.671 -8.490 1.00 0.00 H new ATOM 0 HB1 ALA A 145 1.899 11.096 -10.941 1.00 0.00 H new ATOM 0 HB2 ALA A 145 0.751 12.100 -10.024 1.00 0.00 H new ATOM 0 HB3 ALA A 145 2.258 12.814 -10.648 1.00 0.00 H new ATOM 285 N ASP A 146 4.778 11.055 -8.172 1.00 0.00 N ATOM 286 CA ASP A 146 6.175 10.679 -8.328 1.00 0.00 C ATOM 287 C ASP A 146 6.738 10.163 -7.014 1.00 0.00 C ATOM 288 O ASP A 146 7.922 10.335 -6.719 1.00 0.00 O ATOM 289 CB ASP A 146 7.000 11.865 -8.831 1.00 0.00 C ATOM 290 CG ASP A 146 6.897 13.070 -7.918 1.00 0.00 C ATOM 291 OD1 ASP A 146 5.769 13.565 -7.713 1.00 0.00 O ATOM 292 OD2 ASP A 146 7.944 13.519 -7.407 1.00 0.00 O ATOM 0 H ASP A 146 4.488 11.217 -7.207 1.00 0.00 H new ATOM 0 HA ASP A 146 6.233 9.880 -9.068 1.00 0.00 H new ATOM 0 HB2 ASP A 146 8.045 11.567 -8.917 1.00 0.00 H new ATOM 0 HB3 ASP A 146 6.663 12.140 -9.831 1.00 0.00 H new ATOM 297 N PHE A 147 5.880 9.529 -6.233 1.00 0.00 N ATOM 298 CA PHE A 147 6.277 8.978 -4.945 1.00 0.00 C ATOM 299 C PHE A 147 5.382 7.808 -4.563 1.00 0.00 C ATOM 300 O PHE A 147 4.189 7.802 -4.865 1.00 0.00 O ATOM 301 CB PHE A 147 6.215 10.055 -3.861 1.00 0.00 C ATOM 302 CG PHE A 147 7.052 11.265 -4.166 1.00 0.00 C ATOM 303 CD1 PHE A 147 8.435 11.186 -4.170 1.00 0.00 C ATOM 304 CD2 PHE A 147 6.454 12.483 -4.448 1.00 0.00 C ATOM 305 CE1 PHE A 147 9.206 12.297 -4.450 1.00 0.00 C ATOM 306 CE2 PHE A 147 7.219 13.599 -4.729 1.00 0.00 C ATOM 307 CZ PHE A 147 8.597 13.506 -4.730 1.00 0.00 C ATOM 0 H PHE A 147 4.899 9.382 -6.469 1.00 0.00 H new ATOM 0 HA PHE A 147 7.303 8.621 -5.031 1.00 0.00 H new ATOM 0 HB2 PHE A 147 5.179 10.365 -3.727 1.00 0.00 H new ATOM 0 HB3 PHE A 147 6.544 9.625 -2.915 1.00 0.00 H new ATOM 0 HD1 PHE A 147 8.916 10.244 -3.951 1.00 0.00 H new ATOM 0 HD2 PHE A 147 5.377 12.561 -4.448 1.00 0.00 H new ATOM 0 HE1 PHE A 147 10.283 12.221 -4.450 1.00 0.00 H new ATOM 0 HE2 PHE A 147 6.740 14.542 -4.947 1.00 0.00 H new ATOM 0 HZ PHE A 147 9.198 14.376 -4.949 1.00 0.00 H new ATOM 317 N THR A 148 5.963 6.820 -3.897 1.00 0.00 N ATOM 318 CA THR A 148 5.212 5.647 -3.473 1.00 0.00 C ATOM 319 C THR A 148 4.881 5.726 -1.989 1.00 0.00 C ATOM 320 O THR A 148 5.305 6.652 -1.298 1.00 0.00 O ATOM 321 CB THR A 148 6.005 4.371 -3.767 1.00 0.00 C ATOM 322 OG1 THR A 148 7.387 4.576 -3.534 1.00 0.00 O ATOM 323 CG2 THR A 148 5.846 3.884 -5.190 1.00 0.00 C ATOM 0 H THR A 148 6.950 6.807 -3.639 1.00 0.00 H new ATOM 0 HA THR A 148 4.278 5.620 -4.035 1.00 0.00 H new ATOM 0 HB THR A 148 5.599 3.615 -3.094 1.00 0.00 H new ATOM 0 HG1 THR A 148 7.877 3.749 -3.726 1.00 0.00 H new ATOM 0 HG21 THR A 148 6.433 2.977 -5.332 1.00 0.00 H new ATOM 0 HG22 THR A 148 4.795 3.670 -5.386 1.00 0.00 H new ATOM 0 HG23 THR A 148 6.195 4.653 -5.879 1.00 0.00 H new ATOM 331 N GLY A 149 4.120 4.752 -1.503 1.00 0.00 N ATOM 332 CA GLY A 149 3.746 4.736 -0.103 1.00 0.00 C ATOM 333 C GLY A 149 3.817 3.350 0.505 1.00 0.00 C ATOM 334 O GLY A 149 3.463 2.363 -0.141 1.00 0.00 O ATOM 0 H GLY A 149 3.756 3.974 -2.054 1.00 0.00 H new ATOM 0 HA2 GLY A 149 4.403 5.406 0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 149 2.733 5.123 0.003 1.00 0.00 H new ATOM 338 N THR A 150 4.276 3.277 1.750 1.00 0.00 N ATOM 339 CA THR A 150 4.395 2.003 2.452 1.00 0.00 C ATOM 340 C THR A 150 3.146 1.724 3.280 1.00 0.00 C ATOM 341 O THR A 150 2.898 2.383 4.289 1.00 0.00 O ATOM 342 CB THR A 150 5.626 2.008 3.357 1.00 0.00 C ATOM 343 OG1 THR A 150 6.733 2.592 2.695 1.00 0.00 O ATOM 344 CG2 THR A 150 6.039 0.625 3.812 1.00 0.00 C ATOM 0 H THR A 150 4.572 4.087 2.295 1.00 0.00 H new ATOM 0 HA THR A 150 4.503 1.214 1.707 1.00 0.00 H new ATOM 0 HB THR A 150 5.339 2.590 4.233 1.00 0.00 H new ATOM 0 HG1 THR A 150 7.511 2.587 3.291 1.00 0.00 H new ATOM 0 HG21 THR A 150 6.919 0.700 4.451 1.00 0.00 H new ATOM 0 HG22 THR A 150 5.223 0.167 4.371 1.00 0.00 H new ATOM 0 HG23 THR A 150 6.273 0.011 2.943 1.00 0.00 H new ATOM 352 N VAL A 151 2.363 0.742 2.849 1.00 0.00 N ATOM 353 CA VAL A 151 1.140 0.374 3.552 1.00 0.00 C ATOM 354 C VAL A 151 1.454 -0.261 4.901 1.00 0.00 C ATOM 355 O VAL A 151 1.731 -1.457 4.988 1.00 0.00 O ATOM 356 CB VAL A 151 0.287 -0.605 2.724 1.00 0.00 C ATOM 357 CG1 VAL A 151 -1.085 -0.784 3.355 1.00 0.00 C ATOM 358 CG2 VAL A 151 0.163 -0.123 1.286 1.00 0.00 C ATOM 0 H VAL A 151 2.553 0.186 2.015 1.00 0.00 H new ATOM 0 HA VAL A 151 0.576 1.294 3.707 1.00 0.00 H new ATOM 0 HB VAL A 151 0.786 -1.574 2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -1.673 -1.479 2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -0.972 -1.180 4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -1.594 0.179 3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -0.443 -0.828 0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -0.311 0.858 1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 151 1.155 -0.054 0.839 1.00 0.00 H new ATOM 368 N THR A 152 1.407 0.549 5.955 1.00 0.00 N ATOM 369 CA THR A 152 1.686 0.068 7.302 1.00 0.00 C ATOM 370 C THR A 152 0.457 -0.613 7.900 1.00 0.00 C ATOM 371 O THR A 152 0.576 -1.535 8.706 1.00 0.00 O ATOM 372 CB THR A 152 2.135 1.223 8.201 1.00 0.00 C ATOM 373 OG1 THR A 152 1.815 2.473 7.612 1.00 0.00 O ATOM 374 CG2 THR A 152 3.622 1.218 8.484 1.00 0.00 C ATOM 0 H THR A 152 1.178 1.542 5.901 1.00 0.00 H new ATOM 0 HA THR A 152 2.492 -0.664 7.240 1.00 0.00 H new ATOM 0 HB THR A 152 1.601 1.081 9.141 1.00 0.00 H new ATOM 0 HG1 THR A 152 2.440 2.659 6.880 1.00 0.00 H new ATOM 0 HG21 THR A 152 3.873 2.062 9.126 1.00 0.00 H new ATOM 0 HG22 THR A 152 3.894 0.288 8.984 1.00 0.00 H new ATOM 0 HG23 THR A 152 4.171 1.300 7.546 1.00 0.00 H new ATOM 382 N GLU A 153 -0.723 -0.150 7.498 1.00 0.00 N ATOM 383 CA GLU A 153 -1.974 -0.715 7.993 1.00 0.00 C ATOM 384 C GLU A 153 -3.102 -0.500 6.987 1.00 0.00 C ATOM 385 O GLU A 153 -3.037 0.401 6.151 1.00 0.00 O ATOM 386 CB GLU A 153 -2.345 -0.086 9.336 1.00 0.00 C ATOM 387 CG GLU A 153 -1.781 -0.834 10.533 1.00 0.00 C ATOM 388 CD GLU A 153 -2.691 -0.767 11.744 1.00 0.00 C ATOM 389 OE1 GLU A 153 -3.920 -0.659 11.558 1.00 0.00 O ATOM 390 OE2 GLU A 153 -2.174 -0.820 12.880 1.00 0.00 O ATOM 0 H GLU A 153 -0.839 0.614 6.832 1.00 0.00 H new ATOM 0 HA GLU A 153 -1.832 -1.787 8.130 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -1.985 0.943 9.358 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -3.431 -0.046 9.422 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -1.620 -1.877 10.262 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -0.807 -0.417 10.791 1.00 0.00 H new ATOM 397 N ILE A 154 -4.132 -1.333 7.075 1.00 0.00 N ATOM 398 CA ILE A 154 -5.274 -1.234 6.173 1.00 0.00 C ATOM 399 C ILE A 154 -6.587 -1.194 6.948 1.00 0.00 C ATOM 400 O ILE A 154 -6.605 -1.373 8.166 1.00 0.00 O ATOM 401 CB ILE A 154 -5.313 -2.413 5.183 1.00 0.00 C ATOM 402 CG1 ILE A 154 -5.323 -3.744 5.937 1.00 0.00 C ATOM 403 CG2 ILE A 154 -4.126 -2.346 4.234 1.00 0.00 C ATOM 404 CD1 ILE A 154 -6.112 -4.829 5.240 1.00 0.00 C ATOM 0 H ILE A 154 -4.200 -2.084 7.761 1.00 0.00 H new ATOM 0 HA ILE A 154 -5.155 -0.305 5.616 1.00 0.00 H new ATOM 0 HB ILE A 154 -6.229 -2.344 4.596 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -4.296 -4.083 6.072 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.740 -3.585 6.932 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -4.167 -3.186 3.540 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -4.160 -1.411 3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -3.200 -2.393 4.806 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -6.075 -5.743 5.832 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -7.149 -4.511 5.129 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -5.682 -5.016 4.256 1.00 0.00 H new ATOM 416 N ASN A 155 -7.683 -0.959 6.234 1.00 0.00 N ATOM 417 CA ASN A 155 -9.000 -0.896 6.856 1.00 0.00 C ATOM 418 C ASN A 155 -10.077 -1.406 5.901 1.00 0.00 C ATOM 419 O ASN A 155 -10.684 -0.630 5.163 1.00 0.00 O ATOM 420 CB ASN A 155 -9.319 0.538 7.282 1.00 0.00 C ATOM 421 CG ASN A 155 -10.044 0.598 8.612 1.00 0.00 C ATOM 422 OD1 ASN A 155 -10.521 -0.418 9.117 1.00 0.00 O ATOM 423 ND2 ASN A 155 -10.132 1.793 9.185 1.00 0.00 N ATOM 0 H ASN A 155 -7.685 -0.809 5.225 1.00 0.00 H new ATOM 0 HA ASN A 155 -8.988 -1.535 7.739 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -8.393 1.108 7.350 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -9.931 1.014 6.516 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -10.610 1.895 10.080 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -9.721 2.608 8.730 1.00 0.00 H new ATOM 430 N PRO A 156 -10.331 -2.727 5.904 1.00 0.00 N ATOM 431 CA PRO A 156 -11.340 -3.339 5.034 1.00 0.00 C ATOM 432 C PRO A 156 -12.760 -2.967 5.446 1.00 0.00 C ATOM 433 O PRO A 156 -13.647 -2.832 4.603 1.00 0.00 O ATOM 434 CB PRO A 156 -11.105 -4.840 5.218 1.00 0.00 C ATOM 435 CG PRO A 156 -10.483 -4.965 6.566 1.00 0.00 C ATOM 436 CD PRO A 156 -9.653 -3.724 6.754 1.00 0.00 C ATOM 0 HA PRO A 156 -11.246 -3.004 4.001 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -12.040 -5.397 5.161 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -10.450 -5.236 4.442 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -11.245 -5.047 7.342 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -9.866 -5.861 6.630 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -9.628 -3.412 7.798 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -8.620 -3.881 6.444 1.00 0.00 H new ATOM 444 N GLU A 157 -12.969 -2.804 6.749 1.00 0.00 N ATOM 445 CA GLU A 157 -14.281 -2.445 7.274 1.00 0.00 C ATOM 446 C GLU A 157 -14.653 -1.020 6.883 1.00 0.00 C ATOM 447 O GLU A 157 -15.790 -0.746 6.497 1.00 0.00 O ATOM 448 CB GLU A 157 -14.301 -2.589 8.798 1.00 0.00 C ATOM 449 CG GLU A 157 -14.641 -3.995 9.271 1.00 0.00 C ATOM 450 CD GLU A 157 -13.532 -4.618 10.097 1.00 0.00 C ATOM 451 OE1 GLU A 157 -13.534 -4.432 11.331 1.00 0.00 O ATOM 452 OE2 GLU A 157 -12.661 -5.292 9.507 1.00 0.00 O ATOM 0 H GLU A 157 -12.246 -2.915 7.460 1.00 0.00 H new ATOM 0 HA GLU A 157 -15.015 -3.125 6.841 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -13.326 -2.307 9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -15.028 -1.890 9.212 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -15.556 -3.964 9.863 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -14.843 -4.626 8.406 1.00 0.00 H new ATOM 459 N ARG A 158 -13.688 -0.112 6.986 1.00 0.00 N ATOM 460 CA ARG A 158 -13.913 1.286 6.643 1.00 0.00 C ATOM 461 C ARG A 158 -13.618 1.539 5.168 1.00 0.00 C ATOM 462 O ARG A 158 -14.503 1.931 4.406 1.00 0.00 O ATOM 463 CB ARG A 158 -13.041 2.195 7.512 1.00 0.00 C ATOM 464 CG ARG A 158 -13.510 2.286 8.955 1.00 0.00 C ATOM 465 CD ARG A 158 -14.955 2.748 9.043 1.00 0.00 C ATOM 466 NE ARG A 158 -15.259 3.354 10.337 1.00 0.00 N ATOM 467 CZ ARG A 158 -16.493 3.613 10.763 1.00 0.00 C ATOM 468 NH1 ARG A 158 -17.540 3.318 10.003 1.00 0.00 N ATOM 469 NH2 ARG A 158 -16.680 4.168 11.953 1.00 0.00 N ATOM 0 H ARG A 158 -12.742 -0.320 7.305 1.00 0.00 H new ATOM 0 HA ARG A 158 -14.962 1.514 6.830 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -12.015 1.826 7.494 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -13.028 3.195 7.079 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -13.409 1.312 9.434 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -12.871 2.979 9.503 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -15.154 3.469 8.250 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -15.618 1.899 8.876 1.00 0.00 H new ATOM 0 HE ARG A 158 -14.480 3.593 10.950 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -17.401 2.891 9.087 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -18.484 3.519 10.334 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -15.878 4.396 12.541 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -17.625 4.367 12.280 1.00 0.00 H new ATOM 483 N GLY A 159 -12.370 1.314 4.772 1.00 0.00 N ATOM 484 CA GLY A 159 -11.981 1.522 3.389 1.00 0.00 C ATOM 485 C GLY A 159 -10.875 2.548 3.246 1.00 0.00 C ATOM 486 O GLY A 159 -11.030 3.545 2.542 1.00 0.00 O ATOM 0 H GLY A 159 -11.620 0.991 5.384 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.652 0.575 2.961 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -12.849 1.846 2.815 1.00 0.00 H new ATOM 490 N LYS A 160 -9.753 2.303 3.915 1.00 0.00 N ATOM 491 CA LYS A 160 -8.616 3.212 3.861 1.00 0.00 C ATOM 492 C LYS A 160 -7.301 2.439 3.914 1.00 0.00 C ATOM 493 O LYS A 160 -7.291 1.226 4.120 1.00 0.00 O ATOM 494 CB LYS A 160 -8.683 4.216 5.014 1.00 0.00 C ATOM 495 CG LYS A 160 -8.680 5.665 4.560 1.00 0.00 C ATOM 496 CD LYS A 160 -7.918 6.554 5.530 1.00 0.00 C ATOM 497 CE LYS A 160 -8.260 8.021 5.328 1.00 0.00 C ATOM 498 NZ LYS A 160 -9.507 8.407 6.046 1.00 0.00 N ATOM 0 H LYS A 160 -9.608 1.481 4.501 1.00 0.00 H new ATOM 0 HA LYS A 160 -8.659 3.755 2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -9.585 4.028 5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -7.835 4.051 5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -8.229 5.736 3.570 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -9.706 6.021 4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -8.153 6.262 6.554 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -6.846 6.407 5.395 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -7.433 8.638 5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -8.377 8.223 4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -9.704 9.415 5.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -10.302 7.837 5.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -9.387 8.239 7.065 1.00 0.00 H new ATOM 512 N VAL A 161 -6.194 3.150 3.727 1.00 0.00 N ATOM 513 CA VAL A 161 -4.876 2.531 3.756 1.00 0.00 C ATOM 514 C VAL A 161 -3.806 3.540 4.154 1.00 0.00 C ATOM 515 O VAL A 161 -3.590 4.537 3.465 1.00 0.00 O ATOM 516 CB VAL A 161 -4.509 1.924 2.387 1.00 0.00 C ATOM 517 CG1 VAL A 161 -5.438 0.770 2.048 1.00 0.00 C ATOM 518 CG2 VAL A 161 -4.552 2.989 1.302 1.00 0.00 C ATOM 0 H VAL A 161 -6.184 4.155 3.554 1.00 0.00 H new ATOM 0 HA VAL A 161 -4.917 1.734 4.499 1.00 0.00 H new ATOM 0 HB VAL A 161 -3.492 1.536 2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -5.163 0.355 1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -5.352 -0.003 2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -6.466 1.130 2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -4.290 2.542 0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -5.556 3.409 1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -3.841 3.780 1.540 1.00 0.00 H new ATOM 528 N LYS A 162 -3.139 3.274 5.272 1.00 0.00 N ATOM 529 CA LYS A 162 -2.092 4.161 5.761 1.00 0.00 C ATOM 530 C LYS A 162 -0.788 3.924 5.006 1.00 0.00 C ATOM 531 O LYS A 162 -0.185 2.857 5.109 1.00 0.00 O ATOM 532 CB LYS A 162 -1.873 3.951 7.259 1.00 0.00 C ATOM 533 CG LYS A 162 -0.944 4.978 7.886 1.00 0.00 C ATOM 534 CD LYS A 162 -0.689 4.677 9.353 1.00 0.00 C ATOM 535 CE LYS A 162 -0.304 5.931 10.122 1.00 0.00 C ATOM 536 NZ LYS A 162 1.161 6.192 10.059 1.00 0.00 N ATOM 0 H LYS A 162 -3.305 2.453 5.855 1.00 0.00 H new ATOM 0 HA LYS A 162 -2.411 5.189 5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -2.837 3.986 7.767 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -1.463 2.954 7.422 1.00 0.00 H new ATOM 0 HG2 LYS A 162 0.003 4.991 7.346 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -1.380 5.972 7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -1.583 4.238 9.796 1.00 0.00 H new ATOM 0 HD3 LYS A 162 0.107 3.937 9.440 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -0.843 6.786 9.715 1.00 0.00 H new ATOM 0 HE3 LYS A 162 -0.610 5.827 11.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 1.383 7.055 10.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 1.675 5.387 10.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 1.449 6.317 9.067 1.00 0.00 H new ATOM 550 N VAL A 163 -0.364 4.925 4.243 1.00 0.00 N ATOM 551 CA VAL A 163 0.864 4.823 3.467 1.00 0.00 C ATOM 552 C VAL A 163 1.808 5.984 3.767 1.00 0.00 C ATOM 553 O VAL A 163 1.371 7.122 3.938 1.00 0.00 O ATOM 554 CB VAL A 163 0.571 4.793 1.954 1.00 0.00 C ATOM 555 CG1 VAL A 163 -0.246 3.561 1.589 1.00 0.00 C ATOM 556 CG2 VAL A 163 -0.144 6.065 1.522 1.00 0.00 C ATOM 0 H VAL A 163 -0.853 5.815 4.146 1.00 0.00 H new ATOM 0 HA VAL A 163 1.342 3.888 3.758 1.00 0.00 H new ATOM 0 HB VAL A 163 1.520 4.739 1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -0.442 3.559 0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 163 0.310 2.663 1.858 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -1.192 3.578 2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -0.342 6.025 0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -1.086 6.154 2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.484 6.928 1.743 1.00 0.00 H new ATOM 566 N MET A 164 3.100 5.686 3.828 1.00 0.00 N ATOM 567 CA MET A 164 4.106 6.706 4.106 1.00 0.00 C ATOM 568 C MET A 164 4.812 7.139 2.824 1.00 0.00 C ATOM 569 O MET A 164 5.479 6.338 2.170 1.00 0.00 O ATOM 570 CB MET A 164 5.126 6.180 5.123 1.00 0.00 C ATOM 571 CG MET A 164 6.102 5.165 4.546 1.00 0.00 C ATOM 572 SD MET A 164 6.881 4.151 5.818 1.00 0.00 S ATOM 573 CE MET A 164 8.525 4.860 5.854 1.00 0.00 C ATOM 0 H MET A 164 3.476 4.748 3.689 1.00 0.00 H new ATOM 0 HA MET A 164 3.603 7.576 4.527 1.00 0.00 H new ATOM 0 HB2 MET A 164 5.688 7.021 5.528 1.00 0.00 H new ATOM 0 HB3 MET A 164 4.592 5.723 5.956 1.00 0.00 H new ATOM 0 HG2 MET A 164 5.576 4.519 3.843 1.00 0.00 H new ATOM 0 HG3 MET A 164 6.873 5.689 3.981 1.00 0.00 H new ATOM 0 HE1 MET A 164 9.130 4.338 6.595 1.00 0.00 H new ATOM 0 HE2 MET A 164 8.987 4.758 4.872 1.00 0.00 H new ATOM 0 HE3 MET A 164 8.460 5.916 6.117 1.00 0.00 H new ATOM 583 N VAL A 165 4.661 8.412 2.471 1.00 0.00 N ATOM 584 CA VAL A 165 5.287 8.949 1.268 1.00 0.00 C ATOM 585 C VAL A 165 6.438 9.886 1.622 1.00 0.00 C ATOM 586 O VAL A 165 6.740 10.096 2.797 1.00 0.00 O ATOM 587 CB VAL A 165 4.270 9.711 0.396 1.00 0.00 C ATOM 588 CG1 VAL A 165 3.278 8.747 -0.237 1.00 0.00 C ATOM 589 CG2 VAL A 165 3.546 10.768 1.217 1.00 0.00 C ATOM 0 H VAL A 165 4.112 9.089 3.000 1.00 0.00 H new ATOM 0 HA VAL A 165 5.671 8.099 0.704 1.00 0.00 H new ATOM 0 HB VAL A 165 4.813 10.214 -0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 165 2.569 9.304 -0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 165 3.813 8.033 -0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 165 2.740 8.212 0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 165 2.832 11.295 0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 165 3.016 10.289 2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 165 4.270 11.478 1.616 1.00 0.00 H new ATOM 599 N THR A 166 7.079 10.442 0.599 1.00 0.00 N ATOM 600 CA THR A 166 8.199 11.353 0.807 1.00 0.00 C ATOM 601 C THR A 166 8.151 12.511 -0.184 1.00 0.00 C ATOM 602 O THR A 166 8.255 12.312 -1.394 1.00 0.00 O ATOM 603 CB THR A 166 9.525 10.605 0.671 1.00 0.00 C ATOM 604 OG1 THR A 166 9.346 9.219 0.900 1.00 0.00 O ATOM 605 CG2 THR A 166 10.591 11.094 1.629 1.00 0.00 C ATOM 0 H THR A 166 6.843 10.278 -0.380 1.00 0.00 H new ATOM 0 HA THR A 166 8.121 11.759 1.816 1.00 0.00 H new ATOM 0 HB THR A 166 9.860 10.797 -0.348 1.00 0.00 H new ATOM 0 HG1 THR A 166 10.206 8.758 0.807 1.00 0.00 H new ATOM 0 HG21 THR A 166 11.506 10.521 1.479 1.00 0.00 H new ATOM 0 HG22 THR A 166 10.790 12.150 1.444 1.00 0.00 H new ATOM 0 HG23 THR A 166 10.246 10.964 2.655 1.00 0.00 H new ATOM 613 N ILE A 167 7.997 13.724 0.339 1.00 0.00 N ATOM 614 CA ILE A 167 7.939 14.917 -0.498 1.00 0.00 C ATOM 615 C ILE A 167 9.049 15.896 -0.129 1.00 0.00 C ATOM 616 O ILE A 167 9.216 16.252 1.037 1.00 0.00 O ATOM 617 CB ILE A 167 6.578 15.629 -0.371 1.00 0.00 C ATOM 618 CG1 ILE A 167 5.432 14.644 -0.615 1.00 0.00 C ATOM 619 CG2 ILE A 167 6.497 16.798 -1.342 1.00 0.00 C ATOM 620 CD1 ILE A 167 4.609 14.356 0.623 1.00 0.00 C ATOM 0 H ILE A 167 7.910 13.906 1.339 1.00 0.00 H new ATOM 0 HA ILE A 167 8.072 14.589 -1.529 1.00 0.00 H new ATOM 0 HB ILE A 167 6.484 16.018 0.643 1.00 0.00 H new ATOM 0 HG12 ILE A 167 4.779 15.044 -1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 167 5.842 13.708 -0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 167 5.530 17.290 -1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 167 7.292 17.511 -1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 167 6.612 16.432 -2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 167 3.815 13.651 0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 167 5.249 13.927 1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 167 4.169 15.283 0.991 1.00 0.00 H new ATOM 632 N PHE A 168 9.804 16.330 -1.134 1.00 0.00 N ATOM 633 CA PHE A 168 10.898 17.271 -0.917 1.00 0.00 C ATOM 634 C PHE A 168 11.953 16.677 0.012 1.00 0.00 C ATOM 635 O PHE A 168 12.570 17.391 0.802 1.00 0.00 O ATOM 636 CB PHE A 168 10.365 18.581 -0.332 1.00 0.00 C ATOM 637 CG PHE A 168 9.782 19.506 -1.362 1.00 0.00 C ATOM 638 CD1 PHE A 168 8.856 19.042 -2.283 1.00 0.00 C ATOM 639 CD2 PHE A 168 10.162 20.837 -1.410 1.00 0.00 C ATOM 640 CE1 PHE A 168 8.318 19.891 -3.232 1.00 0.00 C ATOM 641 CE2 PHE A 168 9.626 21.691 -2.357 1.00 0.00 C ATOM 642 CZ PHE A 168 8.704 21.216 -3.270 1.00 0.00 C ATOM 0 H PHE A 168 9.679 16.045 -2.105 1.00 0.00 H new ATOM 0 HA PHE A 168 11.364 17.475 -1.881 1.00 0.00 H new ATOM 0 HB2 PHE A 168 9.602 18.353 0.413 1.00 0.00 H new ATOM 0 HB3 PHE A 168 11.175 19.093 0.188 1.00 0.00 H new ATOM 0 HD1 PHE A 168 8.552 18.006 -2.259 1.00 0.00 H new ATOM 0 HD2 PHE A 168 10.885 21.212 -0.700 1.00 0.00 H new ATOM 0 HE1 PHE A 168 7.596 19.518 -3.943 1.00 0.00 H new ATOM 0 HE2 PHE A 168 9.928 22.728 -2.383 1.00 0.00 H new ATOM 0 HZ PHE A 168 8.286 21.880 -4.012 1.00 0.00 H new ATOM 652 N GLY A 169 12.154 15.368 -0.092 1.00 0.00 N ATOM 653 CA GLY A 169 13.136 14.700 0.744 1.00 0.00 C ATOM 654 C GLY A 169 12.765 14.727 2.213 1.00 0.00 C ATOM 655 O GLY A 169 13.572 15.119 3.056 1.00 0.00 O ATOM 0 H GLY A 169 11.655 14.757 -0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 169 13.241 13.665 0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 169 14.107 15.177 0.609 1.00 0.00 H new ATOM 659 N ARG A 170 11.542 14.310 2.522 1.00 0.00 N ATOM 660 CA ARG A 170 11.068 14.288 3.901 1.00 0.00 C ATOM 661 C ARG A 170 9.878 13.345 4.054 1.00 0.00 C ATOM 662 O ARG A 170 8.899 13.440 3.315 1.00 0.00 O ATOM 663 CB ARG A 170 10.676 15.698 4.348 1.00 0.00 C ATOM 664 CG ARG A 170 10.899 15.949 5.831 1.00 0.00 C ATOM 665 CD ARG A 170 9.909 16.963 6.380 1.00 0.00 C ATOM 666 NE ARG A 170 9.469 16.622 7.731 1.00 0.00 N ATOM 667 CZ ARG A 170 10.188 16.855 8.826 1.00 0.00 C ATOM 668 NH1 ARG A 170 11.382 17.428 8.735 1.00 0.00 N ATOM 669 NH2 ARG A 170 9.713 16.516 10.016 1.00 0.00 N ATOM 0 H ARG A 170 10.861 13.983 1.837 1.00 0.00 H new ATOM 0 HA ARG A 170 11.879 13.925 4.532 1.00 0.00 H new ATOM 0 HB2 ARG A 170 11.251 16.425 3.774 1.00 0.00 H new ATOM 0 HB3 ARG A 170 9.625 15.866 4.113 1.00 0.00 H new ATOM 0 HG2 ARG A 170 10.802 15.011 6.378 1.00 0.00 H new ATOM 0 HG3 ARG A 170 11.916 16.308 5.991 1.00 0.00 H new ATOM 0 HD2 ARG A 170 10.369 17.951 6.387 1.00 0.00 H new ATOM 0 HD3 ARG A 170 9.043 17.019 5.720 1.00 0.00 H new ATOM 0 HE ARG A 170 8.557 16.179 7.841 1.00 0.00 H new ATOM 0 HH11 ARG A 170 11.753 17.692 7.822 1.00 0.00 H new ATOM 0 HH12 ARG A 170 11.929 17.604 9.578 1.00 0.00 H new ATOM 0 HH21 ARG A 170 8.796 16.076 10.093 1.00 0.00 H new ATOM 0 HH22 ARG A 170 10.265 16.695 10.855 1.00 0.00 H new ATOM 683 N GLU A 171 9.970 12.436 5.020 1.00 0.00 N ATOM 684 CA GLU A 171 8.902 11.476 5.273 1.00 0.00 C ATOM 685 C GLU A 171 7.594 12.191 5.596 1.00 0.00 C ATOM 686 O GLU A 171 7.553 13.071 6.456 1.00 0.00 O ATOM 687 CB GLU A 171 9.286 10.544 6.424 1.00 0.00 C ATOM 688 CG GLU A 171 10.485 9.662 6.119 1.00 0.00 C ATOM 689 CD GLU A 171 10.719 8.608 7.184 1.00 0.00 C ATOM 690 OE1 GLU A 171 9.817 7.772 7.401 1.00 0.00 O ATOM 691 OE2 GLU A 171 11.804 8.621 7.802 1.00 0.00 O ATOM 0 H GLU A 171 10.774 12.344 5.641 1.00 0.00 H new ATOM 0 HA GLU A 171 8.758 10.884 4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 171 9.502 11.143 7.309 1.00 0.00 H new ATOM 0 HB3 GLU A 171 8.433 9.911 6.668 1.00 0.00 H new ATOM 0 HG2 GLU A 171 10.337 9.174 5.156 1.00 0.00 H new ATOM 0 HG3 GLU A 171 11.375 10.284 6.027 1.00 0.00 H new ATOM 698 N THR A 172 6.528 11.808 4.900 1.00 0.00 N ATOM 699 CA THR A 172 5.218 12.416 5.114 1.00 0.00 C ATOM 700 C THR A 172 4.129 11.349 5.214 1.00 0.00 C ATOM 701 O THR A 172 3.480 11.020 4.223 1.00 0.00 O ATOM 702 CB THR A 172 4.894 13.387 3.975 1.00 0.00 C ATOM 703 OG1 THR A 172 5.669 13.093 2.827 1.00 0.00 O ATOM 704 CG2 THR A 172 5.140 14.837 4.337 1.00 0.00 C ATOM 0 H THR A 172 6.545 11.081 4.184 1.00 0.00 H new ATOM 0 HA THR A 172 5.249 12.965 6.055 1.00 0.00 H new ATOM 0 HB THR A 172 3.831 13.254 3.776 1.00 0.00 H new ATOM 0 HG1 THR A 172 6.568 13.468 2.934 1.00 0.00 H new ATOM 0 HG21 THR A 172 4.891 15.472 3.487 1.00 0.00 H new ATOM 0 HG22 THR A 172 4.517 15.110 5.189 1.00 0.00 H new ATOM 0 HG23 THR A 172 6.190 14.974 4.597 1.00 0.00 H new ATOM 712 N PRO A 173 3.912 10.796 6.421 1.00 0.00 N ATOM 713 CA PRO A 173 2.891 9.767 6.644 1.00 0.00 C ATOM 714 C PRO A 173 1.479 10.323 6.504 1.00 0.00 C ATOM 715 O PRO A 173 1.020 11.097 7.345 1.00 0.00 O ATOM 716 CB PRO A 173 3.149 9.312 8.081 1.00 0.00 C ATOM 717 CG PRO A 173 3.818 10.472 8.733 1.00 0.00 C ATOM 718 CD PRO A 173 4.638 11.133 7.660 1.00 0.00 C ATOM 0 HA PRO A 173 2.956 8.960 5.914 1.00 0.00 H new ATOM 0 HB2 PRO A 173 2.219 9.056 8.588 1.00 0.00 H new ATOM 0 HB3 PRO A 173 3.781 8.425 8.107 1.00 0.00 H new ATOM 0 HG2 PRO A 173 3.084 11.164 9.146 1.00 0.00 H new ATOM 0 HG3 PRO A 173 4.448 10.145 9.560 1.00 0.00 H new ATOM 0 HD2 PRO A 173 4.701 12.211 7.809 1.00 0.00 H new ATOM 0 HD3 PRO A 173 5.660 10.753 7.643 1.00 0.00 H new ATOM 726 N VAL A 174 0.796 9.931 5.434 1.00 0.00 N ATOM 727 CA VAL A 174 -0.563 10.396 5.182 1.00 0.00 C ATOM 728 C VAL A 174 -1.519 9.227 4.968 1.00 0.00 C ATOM 729 O VAL A 174 -1.171 8.235 4.328 1.00 0.00 O ATOM 730 CB VAL A 174 -0.618 11.314 3.946 1.00 0.00 C ATOM 731 CG1 VAL A 174 -1.993 11.948 3.808 1.00 0.00 C ATOM 732 CG2 VAL A 174 0.463 12.382 4.024 1.00 0.00 C ATOM 0 H VAL A 174 1.161 9.292 4.727 1.00 0.00 H new ATOM 0 HA VAL A 174 -0.872 10.957 6.064 1.00 0.00 H new ATOM 0 HB VAL A 174 -0.434 10.706 3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 174 -2.010 12.592 2.929 1.00 0.00 H new ATOM 0 HG12 VAL A 174 -2.745 11.166 3.700 1.00 0.00 H new ATOM 0 HG13 VAL A 174 -2.211 12.541 4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 174 0.408 13.020 3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 174 0.314 12.986 4.919 1.00 0.00 H new ATOM 0 HG23 VAL A 174 1.443 11.906 4.067 1.00 0.00 H new ATOM 742 N GLU A 175 -2.730 9.357 5.500 1.00 0.00 N ATOM 743 CA GLU A 175 -3.741 8.315 5.356 1.00 0.00 C ATOM 744 C GLU A 175 -4.400 8.408 3.986 1.00 0.00 C ATOM 745 O GLU A 175 -5.009 9.423 3.646 1.00 0.00 O ATOM 746 CB GLU A 175 -4.795 8.434 6.459 1.00 0.00 C ATOM 747 CG GLU A 175 -5.306 9.851 6.667 1.00 0.00 C ATOM 748 CD GLU A 175 -4.616 10.557 7.818 1.00 0.00 C ATOM 749 OE1 GLU A 175 -4.157 9.863 8.749 1.00 0.00 O ATOM 750 OE2 GLU A 175 -4.534 11.803 7.787 1.00 0.00 O ATOM 0 H GLU A 175 -3.035 10.171 6.033 1.00 0.00 H new ATOM 0 HA GLU A 175 -3.253 7.344 5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 175 -5.637 7.786 6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 175 -4.371 8.069 7.395 1.00 0.00 H new ATOM 0 HG2 GLU A 175 -5.157 10.425 5.752 1.00 0.00 H new ATOM 0 HG3 GLU A 175 -6.379 9.822 6.854 1.00 0.00 H new ATOM 757 N LEU A 176 -4.263 7.350 3.196 1.00 0.00 N ATOM 758 CA LEU A 176 -4.831 7.320 1.854 1.00 0.00 C ATOM 759 C LEU A 176 -5.829 6.191 1.695 1.00 0.00 C ATOM 760 O LEU A 176 -6.190 5.513 2.658 1.00 0.00 O ATOM 761 CB LEU A 176 -3.729 7.124 0.817 1.00 0.00 C ATOM 762 CG LEU A 176 -3.276 8.395 0.096 1.00 0.00 C ATOM 763 CD1 LEU A 176 -2.184 9.096 0.889 1.00 0.00 C ATOM 764 CD2 LEU A 176 -2.791 8.069 -1.309 1.00 0.00 C ATOM 0 H LEU A 176 -3.763 6.501 3.462 1.00 0.00 H new ATOM 0 HA LEU A 176 -5.337 8.273 1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -2.865 6.678 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -4.077 6.408 0.072 1.00 0.00 H new ATOM 0 HG LEU A 176 -4.130 9.068 0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -1.873 9.998 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -2.565 9.365 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -1.330 8.428 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -2.473 8.986 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -1.951 7.377 -1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -3.601 7.611 -1.876 1.00 0.00 H new ATOM 776 N ASP A 177 -6.236 5.977 0.453 1.00 0.00 N ATOM 777 CA ASP A 177 -7.153 4.911 0.129 1.00 0.00 C ATOM 778 C ASP A 177 -6.783 4.296 -1.212 1.00 0.00 C ATOM 779 O ASP A 177 -6.146 4.936 -2.046 1.00 0.00 O ATOM 780 CB ASP A 177 -8.598 5.415 0.104 1.00 0.00 C ATOM 781 CG ASP A 177 -8.902 6.379 1.234 1.00 0.00 C ATOM 782 OD1 ASP A 177 -8.240 7.436 1.306 1.00 0.00 O ATOM 783 OD2 ASP A 177 -9.799 6.077 2.047 1.00 0.00 O ATOM 0 H ASP A 177 -5.939 6.535 -0.347 1.00 0.00 H new ATOM 0 HA ASP A 177 -7.078 4.148 0.904 1.00 0.00 H new ATOM 0 HB2 ASP A 177 -8.790 5.907 -0.849 1.00 0.00 H new ATOM 0 HB3 ASP A 177 -9.276 4.564 0.166 1.00 0.00 H new ATOM 788 N PHE A 178 -7.173 3.046 -1.405 1.00 0.00 N ATOM 789 CA PHE A 178 -6.879 2.324 -2.642 1.00 0.00 C ATOM 790 C PHE A 178 -7.203 3.170 -3.874 1.00 0.00 C ATOM 791 O PHE A 178 -6.567 3.028 -4.918 1.00 0.00 O ATOM 792 CB PHE A 178 -7.667 1.014 -2.688 1.00 0.00 C ATOM 793 CG PHE A 178 -7.143 -0.038 -1.755 1.00 0.00 C ATOM 794 CD1 PHE A 178 -5.782 -0.288 -1.664 1.00 0.00 C ATOM 795 CD2 PHE A 178 -8.010 -0.778 -0.966 1.00 0.00 C ATOM 796 CE1 PHE A 178 -5.297 -1.257 -0.804 1.00 0.00 C ATOM 797 CE2 PHE A 178 -7.530 -1.748 -0.105 1.00 0.00 C ATOM 798 CZ PHE A 178 -6.172 -1.987 -0.025 1.00 0.00 C ATOM 0 H PHE A 178 -7.698 2.504 -0.719 1.00 0.00 H new ATOM 0 HA PHE A 178 -5.811 2.105 -2.654 1.00 0.00 H new ATOM 0 HB2 PHE A 178 -8.709 1.218 -2.443 1.00 0.00 H new ATOM 0 HB3 PHE A 178 -7.650 0.625 -3.706 1.00 0.00 H new ATOM 0 HD1 PHE A 178 -5.093 0.280 -2.271 1.00 0.00 H new ATOM 0 HD2 PHE A 178 -9.073 -0.595 -1.024 1.00 0.00 H new ATOM 0 HE1 PHE A 178 -4.235 -1.442 -0.742 1.00 0.00 H new ATOM 0 HE2 PHE A 178 -8.216 -2.318 0.504 1.00 0.00 H new ATOM 0 HZ PHE A 178 -5.795 -2.744 0.646 1.00 0.00 H new ATOM 808 N SER A 179 -8.194 4.047 -3.745 1.00 0.00 N ATOM 809 CA SER A 179 -8.601 4.912 -4.850 1.00 0.00 C ATOM 810 C SER A 179 -7.671 6.118 -4.996 1.00 0.00 C ATOM 811 O SER A 179 -7.893 6.982 -5.844 1.00 0.00 O ATOM 812 CB SER A 179 -10.039 5.390 -4.643 1.00 0.00 C ATOM 813 OG SER A 179 -10.127 6.287 -3.550 1.00 0.00 O ATOM 0 H SER A 179 -8.730 4.178 -2.887 1.00 0.00 H new ATOM 0 HA SER A 179 -8.539 4.326 -5.767 1.00 0.00 H new ATOM 0 HB2 SER A 179 -10.396 5.880 -5.549 1.00 0.00 H new ATOM 0 HB3 SER A 179 -10.689 4.533 -4.467 1.00 0.00 H new ATOM 0 HG SER A 179 -11.056 6.579 -3.440 1.00 0.00 H new ATOM 819 N GLN A 180 -6.632 6.177 -4.166 1.00 0.00 N ATOM 820 CA GLN A 180 -5.677 7.278 -4.210 1.00 0.00 C ATOM 821 C GLN A 180 -4.252 6.771 -4.446 1.00 0.00 C ATOM 822 O GLN A 180 -3.300 7.554 -4.455 1.00 0.00 O ATOM 823 CB GLN A 180 -5.734 8.076 -2.906 1.00 0.00 C ATOM 824 CG GLN A 180 -6.809 9.153 -2.899 1.00 0.00 C ATOM 825 CD GLN A 180 -6.320 10.461 -2.309 1.00 0.00 C ATOM 826 OE1 GLN A 180 -5.923 10.521 -1.145 1.00 0.00 O ATOM 827 NE2 GLN A 180 -6.349 11.519 -3.112 1.00 0.00 N ATOM 0 H GLN A 180 -6.431 5.474 -3.455 1.00 0.00 H new ATOM 0 HA GLN A 180 -5.950 7.924 -5.044 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -5.912 7.391 -2.078 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -4.764 8.541 -2.731 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -7.153 9.325 -3.919 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -7.668 8.800 -2.328 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -6.686 11.423 -4.070 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -6.034 12.427 -2.771 1.00 0.00 H new ATOM 836 N VAL A 181 -4.109 5.460 -4.637 1.00 0.00 N ATOM 837 CA VAL A 181 -2.799 4.865 -4.873 1.00 0.00 C ATOM 838 C VAL A 181 -2.867 3.775 -5.937 1.00 0.00 C ATOM 839 O VAL A 181 -3.952 3.359 -6.344 1.00 0.00 O ATOM 840 CB VAL A 181 -2.212 4.267 -3.580 1.00 0.00 C ATOM 841 CG1 VAL A 181 -1.775 5.371 -2.629 1.00 0.00 C ATOM 842 CG2 VAL A 181 -3.221 3.342 -2.912 1.00 0.00 C ATOM 0 H VAL A 181 -4.882 4.794 -4.633 1.00 0.00 H new ATOM 0 HA VAL A 181 -2.150 5.668 -5.223 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.333 3.678 -3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -1.363 4.928 -1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -1.014 5.986 -3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -2.634 5.991 -2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -2.788 2.929 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -4.121 3.904 -2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -3.476 2.530 -3.593 1.00 0.00 H new ATOM 852 N VAL A 182 -1.702 3.317 -6.381 1.00 0.00 N ATOM 853 CA VAL A 182 -1.626 2.274 -7.397 1.00 0.00 C ATOM 854 C VAL A 182 -0.387 1.408 -7.201 1.00 0.00 C ATOM 855 O VAL A 182 0.656 1.891 -6.761 1.00 0.00 O ATOM 856 CB VAL A 182 -1.602 2.872 -8.816 1.00 0.00 C ATOM 857 CG1 VAL A 182 -2.939 3.517 -9.147 1.00 0.00 C ATOM 858 CG2 VAL A 182 -0.467 3.877 -8.953 1.00 0.00 C ATOM 0 H VAL A 182 -0.796 3.652 -6.053 1.00 0.00 H new ATOM 0 HA VAL A 182 -2.519 1.658 -7.287 1.00 0.00 H new ATOM 0 HB VAL A 182 -1.429 2.065 -9.528 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.903 3.934 -10.153 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -3.728 2.767 -9.093 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -3.146 4.313 -8.432 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.466 4.289 -9.962 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -0.606 4.683 -8.232 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.484 3.380 -8.763 1.00 0.00 H new ATOM 868 N LYS A 183 -0.509 0.126 -7.532 1.00 0.00 N ATOM 869 CA LYS A 183 0.603 -0.808 -7.392 1.00 0.00 C ATOM 870 C LYS A 183 1.816 -0.342 -8.193 1.00 0.00 C ATOM 871 O LYS A 183 1.731 -0.147 -9.406 1.00 0.00 O ATOM 872 CB LYS A 183 0.185 -2.207 -7.847 1.00 0.00 C ATOM 873 CG LYS A 183 1.191 -3.288 -7.490 1.00 0.00 C ATOM 874 CD LYS A 183 0.636 -4.678 -7.759 1.00 0.00 C ATOM 875 CE LYS A 183 1.659 -5.756 -7.445 1.00 0.00 C ATOM 876 NZ LYS A 183 1.029 -7.099 -7.318 1.00 0.00 N ATOM 0 H LYS A 183 -1.366 -0.289 -7.899 1.00 0.00 H new ATOM 0 HA LYS A 183 0.879 -0.843 -6.338 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -0.777 -2.454 -7.397 1.00 0.00 H new ATOM 0 HB3 LYS A 183 0.039 -2.200 -8.927 1.00 0.00 H new ATOM 0 HG2 LYS A 183 2.104 -3.142 -8.067 1.00 0.00 H new ATOM 0 HG3 LYS A 183 1.462 -3.201 -6.438 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -0.258 -4.837 -7.156 1.00 0.00 H new ATOM 0 HD3 LYS A 183 0.334 -4.755 -8.804 1.00 0.00 H new ATOM 0 HE2 LYS A 183 2.413 -5.782 -8.232 1.00 0.00 H new ATOM 0 HE3 LYS A 183 2.175 -5.508 -6.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 1.760 -7.807 -7.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 0.328 -7.082 -6.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 0.558 -7.348 -8.211 1.00 0.00 H new ATOM 890 N ALA A 184 2.940 -0.165 -7.508 1.00 0.00 N ATOM 891 CA ALA A 184 4.169 0.279 -8.157 1.00 0.00 C ATOM 892 C ALA A 184 5.267 -0.771 -8.024 1.00 0.00 C ATOM 893 O ALA A 184 4.943 -1.929 -7.688 1.00 0.00 O ATOM 894 CB ALA A 184 4.627 1.602 -7.565 1.00 0.00 C ATOM 895 OXT ALA A 184 6.445 -0.426 -8.260 1.00 0.00 O ATOM 0 H ALA A 184 3.026 -0.322 -6.504 1.00 0.00 H new ATOM 0 HA ALA A 184 3.963 0.420 -9.218 1.00 0.00 H new ATOM 0 HB1 ALA A 184 5.545 1.923 -8.058 1.00 0.00 H new ATOM 0 HB2 ALA A 184 3.853 2.355 -7.714 1.00 0.00 H new ATOM 0 HB3 ALA A 184 4.812 1.479 -6.498 1.00 0.00 H new TER 901 ALA A 184