USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 385 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 132 MET CE :methyl 177:sc= -4.38! (180deg=-4.55!) USER MOD Single : A 140 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.00959) USER MOD Single : A 147 SER OG : rot 82:sc= 1.21 USER MOD Single : A 148 LYS NZ :NH3+ 152:sc= -0.233 (180deg=-1.08) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 53:sc= 1.12 USER MOD Single : A 159 THR OG1 : rot -94:sc= -0.656 USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 THR OG1 : rot -103:sc= 0.721 USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 174 THR OG1 : rot 180:sc= -0.0729 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 125 21.645 3.390 0.773 1.00 0.00 N ATOM 2 CA GLY A 125 21.393 3.210 2.230 1.00 0.00 C ATOM 3 C GLY A 125 20.539 1.993 2.525 1.00 0.00 C ATOM 4 O GLY A 125 20.589 0.999 1.802 1.00 0.00 O ATOM 0 HA2 GLY A 125 22.346 3.116 2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 125 20.900 4.099 2.623 1.00 0.00 H new ATOM 10 N SER A 126 19.751 2.071 3.594 1.00 0.00 N ATOM 11 CA SER A 126 18.880 0.967 3.984 1.00 0.00 C ATOM 12 C SER A 126 17.732 1.462 4.858 1.00 0.00 C ATOM 13 O SER A 126 17.893 2.403 5.636 1.00 0.00 O ATOM 14 CB SER A 126 19.681 -0.101 4.730 1.00 0.00 C ATOM 15 OG SER A 126 20.730 0.480 5.485 1.00 0.00 O ATOM 0 H SER A 126 19.698 2.886 4.205 1.00 0.00 H new ATOM 0 HA SER A 126 18.460 0.530 3.078 1.00 0.00 H new ATOM 0 HB2 SER A 126 19.019 -0.660 5.392 1.00 0.00 H new ATOM 0 HB3 SER A 126 20.094 -0.814 4.017 1.00 0.00 H new ATOM 0 HG SER A 126 21.225 -0.224 5.953 1.00 0.00 H new ATOM 21 N ARG A 127 16.575 0.823 4.725 1.00 0.00 N ATOM 22 CA ARG A 127 15.400 1.198 5.503 1.00 0.00 C ATOM 23 C ARG A 127 14.574 -0.031 5.868 1.00 0.00 C ATOM 24 O ARG A 127 14.544 -1.014 5.127 1.00 0.00 O ATOM 25 CB ARG A 127 14.540 2.192 4.718 1.00 0.00 C ATOM 26 CG ARG A 127 13.986 3.322 5.570 1.00 0.00 C ATOM 27 CD ARG A 127 14.853 4.569 5.479 1.00 0.00 C ATOM 28 NE ARG A 127 14.073 5.753 5.126 1.00 0.00 N ATOM 29 CZ ARG A 127 14.610 6.895 4.704 1.00 0.00 C ATOM 30 NH1 ARG A 127 15.926 7.013 4.582 1.00 0.00 N ATOM 31 NH2 ARG A 127 13.829 7.924 4.404 1.00 0.00 N ATOM 0 H ARG A 127 16.426 0.043 4.085 1.00 0.00 H new ATOM 0 HA ARG A 127 15.740 1.671 6.425 1.00 0.00 H new ATOM 0 HB2 ARG A 127 15.136 2.616 3.910 1.00 0.00 H new ATOM 0 HB3 ARG A 127 13.711 1.656 4.256 1.00 0.00 H new ATOM 0 HG2 ARG A 127 12.972 3.559 5.247 1.00 0.00 H new ATOM 0 HG3 ARG A 127 13.922 2.998 6.609 1.00 0.00 H new ATOM 0 HD2 ARG A 127 15.351 4.735 6.434 1.00 0.00 H new ATOM 0 HD3 ARG A 127 15.634 4.414 4.735 1.00 0.00 H new ATOM 0 HE ARG A 127 13.058 5.701 5.208 1.00 0.00 H new ATOM 0 HH11 ARG A 127 16.532 6.226 4.812 1.00 0.00 H new ATOM 0 HH12 ARG A 127 16.331 7.891 4.258 1.00 0.00 H new ATOM 0 HH21 ARG A 127 12.817 7.840 4.497 1.00 0.00 H new ATOM 0 HH22 ARG A 127 14.241 8.799 4.081 1.00 0.00 H new ATOM 45 N GLU A 128 13.903 0.030 7.014 1.00 0.00 N ATOM 46 CA GLU A 128 13.076 -1.078 7.476 1.00 0.00 C ATOM 47 C GLU A 128 11.745 -1.112 6.731 1.00 0.00 C ATOM 48 O GLU A 128 11.567 -1.889 5.793 1.00 0.00 O ATOM 49 CB GLU A 128 12.838 -0.970 8.985 1.00 0.00 C ATOM 50 CG GLU A 128 13.541 -2.051 9.790 1.00 0.00 C ATOM 51 CD GLU A 128 12.870 -2.315 11.124 1.00 0.00 C ATOM 52 OE1 GLU A 128 11.640 -2.123 11.219 1.00 0.00 O ATOM 53 OE2 GLU A 128 13.576 -2.712 12.075 1.00 0.00 O ATOM 0 H GLU A 128 13.916 0.836 7.640 1.00 0.00 H new ATOM 0 HA GLU A 128 13.606 -2.008 7.269 1.00 0.00 H new ATOM 0 HB2 GLU A 128 13.178 0.007 9.329 1.00 0.00 H new ATOM 0 HB3 GLU A 128 11.767 -1.022 9.180 1.00 0.00 H new ATOM 0 HG2 GLU A 128 13.564 -2.974 9.210 1.00 0.00 H new ATOM 0 HG3 GLU A 128 14.576 -1.756 9.960 1.00 0.00 H new ATOM 60 N VAL A 129 10.816 -0.265 7.154 1.00 0.00 N ATOM 61 CA VAL A 129 9.501 -0.193 6.527 1.00 0.00 C ATOM 62 C VAL A 129 9.507 0.789 5.367 1.00 0.00 C ATOM 63 O VAL A 129 9.431 2.000 5.569 1.00 0.00 O ATOM 64 CB VAL A 129 8.415 0.246 7.527 1.00 0.00 C ATOM 65 CG1 VAL A 129 7.047 -0.240 7.075 1.00 0.00 C ATOM 66 CG2 VAL A 129 8.729 -0.253 8.930 1.00 0.00 C ATOM 0 H VAL A 129 10.948 0.383 7.930 1.00 0.00 H new ATOM 0 HA VAL A 129 9.273 -1.196 6.168 1.00 0.00 H new ATOM 0 HB VAL A 129 8.401 1.336 7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 129 6.292 0.079 7.793 1.00 0.00 H new ATOM 0 HG12 VAL A 129 6.817 0.180 6.096 1.00 0.00 H new ATOM 0 HG13 VAL A 129 7.050 -1.328 7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 129 7.946 0.071 9.615 1.00 0.00 H new ATOM 0 HG22 VAL A 129 8.780 -1.342 8.926 1.00 0.00 H new ATOM 0 HG23 VAL A 129 9.687 0.154 9.255 1.00 0.00 H new ATOM 76 N ALA A 130 9.593 0.268 4.149 1.00 0.00 N ATOM 77 CA ALA A 130 9.604 1.117 2.969 1.00 0.00 C ATOM 78 C ALA A 130 8.207 1.254 2.375 1.00 0.00 C ATOM 79 O ALA A 130 7.394 0.332 2.443 1.00 0.00 O ATOM 80 CB ALA A 130 10.569 0.573 1.927 1.00 0.00 C ATOM 0 H ALA A 130 9.656 -0.731 3.955 1.00 0.00 H new ATOM 0 HA ALA A 130 9.941 2.107 3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.563 1.222 1.051 1.00 0.00 H new ATOM 0 HB2 ALA A 130 11.575 0.538 2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 130 10.262 -0.432 1.636 1.00 0.00 H new ATOM 86 N ALA A 131 7.944 2.410 1.785 1.00 0.00 N ATOM 87 CA ALA A 131 6.655 2.677 1.163 1.00 0.00 C ATOM 88 C ALA A 131 6.811 3.657 0.005 1.00 0.00 C ATOM 89 O ALA A 131 6.806 4.871 0.208 1.00 0.00 O ATOM 90 CB ALA A 131 5.673 3.218 2.191 1.00 0.00 C ATOM 0 H ALA A 131 8.609 3.181 1.724 1.00 0.00 H new ATOM 0 HA ALA A 131 6.262 1.740 0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 131 4.714 3.413 1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.538 2.485 2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.062 4.144 2.613 1.00 0.00 H new ATOM 96 N MET A 132 6.960 3.127 -1.209 1.00 0.00 N ATOM 97 CA MET A 132 7.128 3.970 -2.393 1.00 0.00 C ATOM 98 C MET A 132 6.106 5.113 -2.406 1.00 0.00 C ATOM 99 O MET A 132 5.148 5.108 -1.633 1.00 0.00 O ATOM 100 CB MET A 132 7.022 3.132 -3.671 1.00 0.00 C ATOM 101 CG MET A 132 5.747 2.310 -3.772 1.00 0.00 C ATOM 102 SD MET A 132 5.528 1.570 -5.401 1.00 0.00 S ATOM 103 CE MET A 132 6.916 0.439 -5.449 1.00 0.00 C ATOM 0 H MET A 132 6.968 2.125 -1.398 1.00 0.00 H new ATOM 0 HA MET A 132 8.124 4.412 -2.354 1.00 0.00 H new ATOM 0 HB2 MET A 132 7.083 3.796 -4.534 1.00 0.00 H new ATOM 0 HB3 MET A 132 7.879 2.461 -3.724 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.766 1.522 -3.019 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.890 2.945 -3.547 1.00 0.00 H new ATOM 0 HE1 MET A 132 6.887 -0.133 -6.376 1.00 0.00 H new ATOM 0 HE2 MET A 132 7.847 1.003 -5.400 1.00 0.00 H new ATOM 0 HE3 MET A 132 6.860 -0.242 -4.600 1.00 0.00 H new ATOM 113 N PRO A 133 6.312 6.122 -3.274 1.00 0.00 N ATOM 114 CA PRO A 133 5.422 7.288 -3.370 1.00 0.00 C ATOM 115 C PRO A 133 4.031 6.934 -3.881 1.00 0.00 C ATOM 116 O PRO A 133 3.025 7.347 -3.306 1.00 0.00 O ATOM 117 CB PRO A 133 6.134 8.213 -4.369 1.00 0.00 C ATOM 118 CG PRO A 133 7.528 7.693 -4.467 1.00 0.00 C ATOM 119 CD PRO A 133 7.434 6.217 -4.217 1.00 0.00 C ATOM 0 HA PRO A 133 5.256 7.738 -2.391 1.00 0.00 H new ATOM 0 HB2 PRO A 133 5.640 8.197 -5.340 1.00 0.00 H new ATOM 0 HB3 PRO A 133 6.124 9.247 -4.023 1.00 0.00 H new ATOM 0 HG2 PRO A 133 7.953 7.896 -5.450 1.00 0.00 H new ATOM 0 HG3 PRO A 133 8.176 8.173 -3.734 1.00 0.00 H new ATOM 0 HD2 PRO A 133 7.240 5.662 -5.135 1.00 0.00 H new ATOM 0 HD3 PRO A 133 8.355 5.818 -3.792 1.00 0.00 H new ATOM 127 N ALA A 134 3.980 6.178 -4.971 1.00 0.00 N ATOM 128 CA ALA A 134 2.711 5.781 -5.566 1.00 0.00 C ATOM 129 C ALA A 134 1.804 5.097 -4.546 1.00 0.00 C ATOM 130 O ALA A 134 0.628 5.439 -4.416 1.00 0.00 O ATOM 131 CB ALA A 134 2.964 4.864 -6.755 1.00 0.00 C ATOM 0 H ALA A 134 4.803 5.828 -5.461 1.00 0.00 H new ATOM 0 HA ALA A 134 2.199 6.680 -5.908 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.012 4.570 -7.197 1.00 0.00 H new ATOM 0 HB2 ALA A 134 3.562 5.390 -7.499 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.499 3.975 -6.421 1.00 0.00 H new ATOM 137 N ALA A 135 2.362 4.132 -3.822 1.00 0.00 N ATOM 138 CA ALA A 135 1.607 3.400 -2.812 1.00 0.00 C ATOM 139 C ALA A 135 1.294 4.285 -1.614 1.00 0.00 C ATOM 140 O ALA A 135 0.229 4.175 -1.006 1.00 0.00 O ATOM 141 CB ALA A 135 2.378 2.164 -2.378 1.00 0.00 C ATOM 0 H ALA A 135 3.334 3.839 -3.916 1.00 0.00 H new ATOM 0 HA ALA A 135 0.660 3.087 -3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.806 1.624 -1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.543 1.517 -3.240 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.339 2.463 -1.959 1.00 0.00 H new ATOM 147 N ARG A 136 2.224 5.172 -1.287 1.00 0.00 N ATOM 148 CA ARG A 136 2.046 6.091 -0.171 1.00 0.00 C ATOM 149 C ARG A 136 0.943 7.090 -0.483 1.00 0.00 C ATOM 150 O ARG A 136 0.055 7.339 0.334 1.00 0.00 O ATOM 151 CB ARG A 136 3.351 6.834 0.102 1.00 0.00 C ATOM 152 CG ARG A 136 4.187 6.206 1.199 1.00 0.00 C ATOM 153 CD ARG A 136 5.193 7.194 1.768 1.00 0.00 C ATOM 154 NE ARG A 136 6.170 6.542 2.637 1.00 0.00 N ATOM 155 CZ ARG A 136 5.931 6.211 3.905 1.00 0.00 C ATOM 156 NH1 ARG A 136 4.750 6.465 4.453 1.00 0.00 N ATOM 157 NH2 ARG A 136 6.877 5.623 4.625 1.00 0.00 N ATOM 0 H ARG A 136 3.111 5.275 -1.780 1.00 0.00 H new ATOM 0 HA ARG A 136 1.765 5.519 0.713 1.00 0.00 H new ATOM 0 HB2 ARG A 136 3.938 6.870 -0.816 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.123 7.864 0.375 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.535 5.850 1.996 1.00 0.00 H new ATOM 0 HG3 ARG A 136 4.713 5.336 0.805 1.00 0.00 H new ATOM 0 HD2 ARG A 136 5.712 7.694 0.950 1.00 0.00 H new ATOM 0 HD3 ARG A 136 4.666 7.965 2.330 1.00 0.00 H new ATOM 0 HE ARG A 136 7.089 6.328 2.250 1.00 0.00 H new ATOM 0 HH11 ARG A 136 4.019 6.916 3.903 1.00 0.00 H new ATOM 0 HH12 ARG A 136 4.573 6.209 5.424 1.00 0.00 H new ATOM 0 HH21 ARG A 136 7.786 5.425 4.208 1.00 0.00 H new ATOM 0 HH22 ARG A 136 6.695 5.369 5.596 1.00 0.00 H new ATOM 171 N ARG A 137 1.016 7.656 -1.679 1.00 0.00 N ATOM 172 CA ARG A 137 0.037 8.635 -2.132 1.00 0.00 C ATOM 173 C ARG A 137 -1.368 8.049 -2.107 1.00 0.00 C ATOM 174 O ARG A 137 -2.267 8.590 -1.465 1.00 0.00 O ATOM 175 CB ARG A 137 0.373 9.100 -3.547 1.00 0.00 C ATOM 176 CG ARG A 137 -0.551 10.192 -4.065 1.00 0.00 C ATOM 177 CD ARG A 137 0.218 11.452 -4.430 1.00 0.00 C ATOM 178 NE ARG A 137 1.119 11.238 -5.562 1.00 0.00 N ATOM 179 CZ ARG A 137 2.431 11.031 -5.446 1.00 0.00 C ATOM 180 NH1 ARG A 137 3.009 11.000 -4.251 1.00 0.00 N ATOM 181 NH2 ARG A 137 3.168 10.850 -6.534 1.00 0.00 N ATOM 0 H ARG A 137 1.749 7.452 -2.358 1.00 0.00 H new ATOM 0 HA ARG A 137 0.072 9.487 -1.453 1.00 0.00 H new ATOM 0 HB2 ARG A 137 1.400 9.465 -3.566 1.00 0.00 H new ATOM 0 HB3 ARG A 137 0.326 8.245 -4.222 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -1.090 9.828 -4.940 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -1.297 10.428 -3.306 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -0.486 12.248 -4.673 1.00 0.00 H new ATOM 0 HD3 ARG A 137 0.794 11.788 -3.567 1.00 0.00 H new ATOM 0 HE ARG A 137 0.718 11.248 -6.500 1.00 0.00 H new ATOM 0 HH11 ARG A 137 2.448 11.135 -3.410 1.00 0.00 H new ATOM 0 HH12 ARG A 137 4.014 10.841 -4.174 1.00 0.00 H new ATOM 0 HH21 ARG A 137 2.731 10.869 -7.455 1.00 0.00 H new ATOM 0 HH22 ARG A 137 4.172 10.691 -6.449 1.00 0.00 H new ATOM 195 N LEU A 138 -1.548 6.938 -2.813 1.00 0.00 N ATOM 196 CA LEU A 138 -2.836 6.280 -2.874 1.00 0.00 C ATOM 197 C LEU A 138 -3.275 5.833 -1.487 1.00 0.00 C ATOM 198 O LEU A 138 -4.441 5.949 -1.132 1.00 0.00 O ATOM 199 CB LEU A 138 -2.755 5.084 -3.818 1.00 0.00 C ATOM 200 CG LEU A 138 -1.884 3.939 -3.326 1.00 0.00 C ATOM 201 CD1 LEU A 138 -2.663 3.048 -2.375 1.00 0.00 C ATOM 202 CD2 LEU A 138 -1.361 3.139 -4.503 1.00 0.00 C ATOM 0 H LEU A 138 -0.813 6.478 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 138 -3.576 6.985 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -3.763 4.707 -3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -2.373 5.424 -4.781 1.00 0.00 H new ATOM 0 HG LEU A 138 -1.034 4.353 -2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -2.024 2.234 -2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -2.995 3.633 -1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.530 2.636 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -0.738 2.322 -4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -2.200 2.733 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -0.768 3.787 -5.149 1.00 0.00 H new ATOM 214 N ALA A 139 -2.331 5.315 -0.708 1.00 0.00 N ATOM 215 CA ALA A 139 -2.628 4.848 0.643 1.00 0.00 C ATOM 216 C ALA A 139 -3.270 5.956 1.471 1.00 0.00 C ATOM 217 O ALA A 139 -4.196 5.711 2.246 1.00 0.00 O ATOM 218 CB ALA A 139 -1.362 4.347 1.319 1.00 0.00 C ATOM 0 H ALA A 139 -1.356 5.208 -0.987 1.00 0.00 H new ATOM 0 HA ALA A 139 -3.336 4.023 0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.599 4.002 2.325 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.943 3.522 0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.635 5.157 1.375 1.00 0.00 H new ATOM 224 N LYS A 140 -2.770 7.176 1.297 1.00 0.00 N ATOM 225 CA LYS A 140 -3.290 8.328 2.022 1.00 0.00 C ATOM 226 C LYS A 140 -4.610 8.801 1.421 1.00 0.00 C ATOM 227 O LYS A 140 -5.478 9.311 2.129 1.00 0.00 O ATOM 228 CB LYS A 140 -2.271 9.469 2.005 1.00 0.00 C ATOM 229 CG LYS A 140 -1.315 9.448 3.188 1.00 0.00 C ATOM 230 CD LYS A 140 -1.578 10.602 4.144 1.00 0.00 C ATOM 231 CE LYS A 140 -1.646 10.130 5.587 1.00 0.00 C ATOM 232 NZ LYS A 140 -2.887 9.353 5.862 1.00 0.00 N ATOM 0 H LYS A 140 -2.004 7.391 0.659 1.00 0.00 H new ATOM 0 HA LYS A 140 -3.470 8.025 3.053 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -1.694 9.417 1.081 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -2.803 10.420 1.995 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -1.417 8.503 3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -0.288 9.501 2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -0.789 11.347 4.041 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -2.515 11.091 3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -0.775 9.513 5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -1.603 10.992 6.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -2.961 9.167 6.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -3.715 9.899 5.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -2.853 8.450 5.347 1.00 0.00 H new ATOM 246 N GLU A 141 -4.757 8.629 0.110 1.00 0.00 N ATOM 247 CA GLU A 141 -5.976 9.040 -0.582 1.00 0.00 C ATOM 248 C GLU A 141 -7.082 7.997 -0.415 1.00 0.00 C ATOM 249 O GLU A 141 -8.264 8.297 -0.584 1.00 0.00 O ATOM 250 CB GLU A 141 -5.687 9.271 -2.069 1.00 0.00 C ATOM 251 CG GLU A 141 -6.921 9.619 -2.887 1.00 0.00 C ATOM 252 CD GLU A 141 -6.658 9.589 -4.380 1.00 0.00 C ATOM 253 OE1 GLU A 141 -5.517 9.897 -4.788 1.00 0.00 O ATOM 254 OE2 GLU A 141 -7.591 9.258 -5.141 1.00 0.00 O ATOM 0 H GLU A 141 -4.050 8.209 -0.493 1.00 0.00 H new ATOM 0 HA GLU A 141 -6.321 9.973 -0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -4.959 10.076 -2.167 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -5.228 8.374 -2.484 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -7.720 8.917 -2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -7.272 10.611 -2.604 1.00 0.00 H new ATOM 261 N LEU A 142 -6.685 6.774 -0.086 1.00 0.00 N ATOM 262 CA LEU A 142 -7.624 5.678 0.104 1.00 0.00 C ATOM 263 C LEU A 142 -7.966 5.511 1.579 1.00 0.00 C ATOM 264 O LEU A 142 -9.054 5.053 1.930 1.00 0.00 O ATOM 265 CB LEU A 142 -7.018 4.381 -0.433 1.00 0.00 C ATOM 266 CG LEU A 142 -7.137 4.184 -1.947 1.00 0.00 C ATOM 267 CD1 LEU A 142 -5.830 3.660 -2.525 1.00 0.00 C ATOM 268 CD2 LEU A 142 -8.281 3.236 -2.268 1.00 0.00 C ATOM 0 H LEU A 142 -5.708 6.516 0.056 1.00 0.00 H new ATOM 0 HA LEU A 142 -8.539 5.908 -0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -5.963 4.352 -0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -7.500 3.540 0.066 1.00 0.00 H new ATOM 0 HG LEU A 142 -7.349 5.150 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -5.936 3.527 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -5.031 4.374 -2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -5.586 2.703 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -8.353 3.106 -3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -8.096 2.270 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -9.215 3.651 -1.889 1.00 0.00 H new ATOM 280 N GLY A 143 -7.023 5.880 2.441 1.00 0.00 N ATOM 281 CA GLY A 143 -7.234 5.759 3.869 1.00 0.00 C ATOM 282 C GLY A 143 -6.969 4.355 4.368 1.00 0.00 C ATOM 283 O GLY A 143 -7.705 3.833 5.204 1.00 0.00 O ATOM 0 H GLY A 143 -6.116 6.261 2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -6.581 6.458 4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.259 6.041 4.108 1.00 0.00 H new ATOM 287 N ILE A 144 -5.912 3.742 3.847 1.00 0.00 N ATOM 288 CA ILE A 144 -5.545 2.388 4.235 1.00 0.00 C ATOM 289 C ILE A 144 -4.171 2.365 4.899 1.00 0.00 C ATOM 290 O ILE A 144 -3.195 2.870 4.343 1.00 0.00 O ATOM 291 CB ILE A 144 -5.556 1.441 3.013 1.00 0.00 C ATOM 292 CG1 ILE A 144 -5.805 -0.005 3.456 1.00 0.00 C ATOM 293 CG2 ILE A 144 -4.258 1.555 2.220 1.00 0.00 C ATOM 294 CD1 ILE A 144 -4.570 -0.715 3.965 1.00 0.00 C ATOM 0 H ILE A 144 -5.294 4.164 3.154 1.00 0.00 H new ATOM 0 HA ILE A 144 -6.286 2.038 4.954 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.372 1.742 2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -6.562 -0.008 4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -6.214 -0.566 2.616 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -4.293 0.878 1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -4.136 2.579 1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -3.416 1.289 2.860 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -4.830 -1.732 4.258 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -3.817 -0.746 3.177 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -4.172 -0.179 4.827 1.00 0.00 H new ATOM 306 N ASP A 145 -4.099 1.781 6.089 1.00 0.00 N ATOM 307 CA ASP A 145 -2.840 1.700 6.820 1.00 0.00 C ATOM 308 C ASP A 145 -1.786 0.969 5.997 1.00 0.00 C ATOM 309 O ASP A 145 -1.784 -0.260 5.924 1.00 0.00 O ATOM 310 CB ASP A 145 -3.046 0.983 8.157 1.00 0.00 C ATOM 311 CG ASP A 145 -2.358 1.694 9.305 1.00 0.00 C ATOM 312 OD1 ASP A 145 -2.802 2.805 9.668 1.00 0.00 O ATOM 313 OD2 ASP A 145 -1.374 1.142 9.842 1.00 0.00 O ATOM 0 H ASP A 145 -4.894 1.358 6.567 1.00 0.00 H new ATOM 0 HA ASP A 145 -2.492 2.715 7.011 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -4.113 0.909 8.366 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -2.665 -0.035 8.083 1.00 0.00 H new ATOM 318 N ALA A 146 -0.887 1.729 5.379 1.00 0.00 N ATOM 319 CA ALA A 146 0.171 1.145 4.566 1.00 0.00 C ATOM 320 C ALA A 146 1.008 0.170 5.384 1.00 0.00 C ATOM 321 O ALA A 146 1.384 -0.898 4.901 1.00 0.00 O ATOM 322 CB ALA A 146 1.048 2.235 3.969 1.00 0.00 C ATOM 0 H ALA A 146 -0.871 2.748 5.426 1.00 0.00 H new ATOM 0 HA ALA A 146 -0.293 0.591 3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 146 1.833 1.780 3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.441 2.888 3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 146 1.500 2.819 4.771 1.00 0.00 H new ATOM 328 N SER A 147 1.289 0.539 6.631 1.00 0.00 N ATOM 329 CA SER A 147 2.073 -0.313 7.517 1.00 0.00 C ATOM 330 C SER A 147 1.439 -1.692 7.616 1.00 0.00 C ATOM 331 O SER A 147 2.109 -2.708 7.426 1.00 0.00 O ATOM 332 CB SER A 147 2.188 0.317 8.906 1.00 0.00 C ATOM 333 OG SER A 147 1.121 1.219 9.147 1.00 0.00 O ATOM 0 H SER A 147 0.986 1.419 7.048 1.00 0.00 H new ATOM 0 HA SER A 147 3.075 -0.415 7.101 1.00 0.00 H new ATOM 0 HB2 SER A 147 2.185 -0.465 9.665 1.00 0.00 H new ATOM 0 HB3 SER A 147 3.139 0.842 8.993 1.00 0.00 H new ATOM 0 HG SER A 147 0.327 0.719 9.429 1.00 0.00 H new ATOM 339 N LYS A 148 0.138 -1.724 7.886 1.00 0.00 N ATOM 340 CA LYS A 148 -0.583 -2.985 7.975 1.00 0.00 C ATOM 341 C LYS A 148 -0.429 -3.752 6.661 1.00 0.00 C ATOM 342 O LYS A 148 -0.449 -4.983 6.638 1.00 0.00 O ATOM 343 CB LYS A 148 -2.060 -2.736 8.315 1.00 0.00 C ATOM 344 CG LYS A 148 -2.998 -2.775 7.120 1.00 0.00 C ATOM 345 CD LYS A 148 -3.368 -4.204 6.770 1.00 0.00 C ATOM 346 CE LYS A 148 -4.742 -4.573 7.303 1.00 0.00 C ATOM 347 NZ LYS A 148 -5.806 -3.687 6.757 1.00 0.00 N ATOM 0 H LYS A 148 -0.434 -0.895 8.046 1.00 0.00 H new ATOM 0 HA LYS A 148 -0.163 -3.591 8.778 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -2.384 -3.483 9.039 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -2.149 -1.763 8.799 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -3.900 -2.205 7.342 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -2.522 -2.298 6.263 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -3.351 -4.330 5.687 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -2.623 -4.885 7.182 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -4.965 -5.609 7.046 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -4.739 -4.508 8.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -6.708 -4.203 6.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -5.904 -2.848 7.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -5.550 -3.390 5.794 1.00 0.00 H new ATOM 361 N VAL A 149 -0.250 -3.003 5.573 1.00 0.00 N ATOM 362 CA VAL A 149 -0.062 -3.589 4.255 1.00 0.00 C ATOM 363 C VAL A 149 1.403 -3.971 4.053 1.00 0.00 C ATOM 364 O VAL A 149 2.180 -3.202 3.490 1.00 0.00 O ATOM 365 CB VAL A 149 -0.494 -2.602 3.147 1.00 0.00 C ATOM 366 CG1 VAL A 149 -0.058 -3.085 1.770 1.00 0.00 C ATOM 367 CG2 VAL A 149 -1.996 -2.384 3.189 1.00 0.00 C ATOM 0 H VAL A 149 -0.232 -1.983 5.584 1.00 0.00 H new ATOM 0 HA VAL A 149 -0.683 -4.482 4.191 1.00 0.00 H new ATOM 0 HB VAL A 149 0.002 -1.650 3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.378 -2.367 1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.028 -3.179 1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -0.511 -4.055 1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -2.285 -1.687 2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -2.506 -3.335 3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -2.277 -1.974 4.159 1.00 0.00 H new ATOM 377 N LYS A 150 1.776 -5.156 4.526 1.00 0.00 N ATOM 378 CA LYS A 150 3.151 -5.633 4.408 1.00 0.00 C ATOM 379 C LYS A 150 3.659 -5.520 2.972 1.00 0.00 C ATOM 380 O LYS A 150 3.410 -6.394 2.142 1.00 0.00 O ATOM 381 CB LYS A 150 3.252 -7.081 4.882 1.00 0.00 C ATOM 382 CG LYS A 150 2.320 -8.032 4.153 1.00 0.00 C ATOM 383 CD LYS A 150 2.210 -9.359 4.886 1.00 0.00 C ATOM 384 CE LYS A 150 0.820 -9.565 5.466 1.00 0.00 C ATOM 385 NZ LYS A 150 0.692 -10.882 6.148 1.00 0.00 N ATOM 0 H LYS A 150 1.145 -5.805 4.996 1.00 0.00 H new ATOM 0 HA LYS A 150 3.776 -5.002 5.040 1.00 0.00 H new ATOM 0 HB2 LYS A 150 4.279 -7.424 4.754 1.00 0.00 H new ATOM 0 HB3 LYS A 150 3.033 -7.120 5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 150 1.332 -7.580 4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 150 2.687 -8.201 3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 150 2.443 -10.174 4.201 1.00 0.00 H new ATOM 0 HD3 LYS A 150 2.948 -9.395 5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 150 0.600 -8.766 6.175 1.00 0.00 H new ATOM 0 HE3 LYS A 150 0.080 -9.496 4.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -0.270 -10.983 6.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 0.876 -11.645 5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 1.380 -10.939 6.926 1.00 0.00 H new ATOM 399 N GLY A 151 4.371 -4.434 2.690 1.00 0.00 N ATOM 400 CA GLY A 151 4.904 -4.217 1.359 1.00 0.00 C ATOM 401 C GLY A 151 5.935 -5.254 0.959 1.00 0.00 C ATOM 402 O GLY A 151 6.745 -5.685 1.780 1.00 0.00 O ATOM 0 H GLY A 151 4.589 -3.698 3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.086 -4.229 0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.356 -3.226 1.311 1.00 0.00 H new ATOM 406 N THR A 152 5.906 -5.652 -0.310 1.00 0.00 N ATOM 407 CA THR A 152 6.846 -6.644 -0.825 1.00 0.00 C ATOM 408 C THR A 152 7.713 -6.055 -1.941 1.00 0.00 C ATOM 409 O THR A 152 8.404 -6.786 -2.651 1.00 0.00 O ATOM 410 CB THR A 152 6.096 -7.890 -1.330 1.00 0.00 C ATOM 411 OG1 THR A 152 6.366 -8.133 -2.701 1.00 0.00 O ATOM 412 CG2 THR A 152 4.591 -7.799 -1.177 1.00 0.00 C ATOM 0 H THR A 152 5.242 -5.303 -1.001 1.00 0.00 H new ATOM 0 HA THR A 152 7.502 -6.940 -0.006 1.00 0.00 H new ATOM 0 HB THR A 152 6.463 -8.703 -0.704 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.335 -8.162 -2.843 1.00 0.00 H new ATOM 0 HG21 THR A 152 4.131 -8.712 -1.554 1.00 0.00 H new ATOM 0 HG22 THR A 152 4.339 -7.674 -0.124 1.00 0.00 H new ATOM 0 HG23 THR A 152 4.219 -6.945 -1.743 1.00 0.00 H new ATOM 420 N GLY A 153 7.670 -4.734 -2.096 1.00 0.00 N ATOM 421 CA GLY A 153 8.452 -4.085 -3.133 1.00 0.00 C ATOM 422 C GLY A 153 9.938 -4.058 -2.819 1.00 0.00 C ATOM 423 O GLY A 153 10.329 -4.120 -1.654 1.00 0.00 O ATOM 0 H GLY A 153 7.109 -4.103 -1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 153 8.294 -4.603 -4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.095 -3.064 -3.266 1.00 0.00 H new ATOM 427 N PRO A 154 10.797 -3.960 -3.854 1.00 0.00 N ATOM 428 CA PRO A 154 12.254 -3.925 -3.686 1.00 0.00 C ATOM 429 C PRO A 154 12.699 -2.997 -2.564 1.00 0.00 C ATOM 430 O PRO A 154 12.653 -1.774 -2.697 1.00 0.00 O ATOM 431 CB PRO A 154 12.743 -3.406 -5.037 1.00 0.00 C ATOM 432 CG PRO A 154 11.721 -3.881 -6.009 1.00 0.00 C ATOM 433 CD PRO A 154 10.406 -3.867 -5.274 1.00 0.00 C ATOM 0 HA PRO A 154 12.655 -4.900 -3.410 1.00 0.00 H new ATOM 0 HB2 PRO A 154 12.820 -2.319 -5.041 1.00 0.00 H new ATOM 0 HB3 PRO A 154 13.732 -3.796 -5.278 1.00 0.00 H new ATOM 0 HG2 PRO A 154 11.685 -3.233 -6.884 1.00 0.00 H new ATOM 0 HG3 PRO A 154 11.958 -4.884 -6.365 1.00 0.00 H new ATOM 0 HD2 PRO A 154 9.844 -2.955 -5.476 1.00 0.00 H new ATOM 0 HD3 PRO A 154 9.773 -4.703 -5.570 1.00 0.00 H new ATOM 441 N GLY A 155 13.130 -3.587 -1.455 1.00 0.00 N ATOM 442 CA GLY A 155 13.574 -2.802 -0.320 1.00 0.00 C ATOM 443 C GLY A 155 12.493 -2.655 0.731 1.00 0.00 C ATOM 444 O GLY A 155 12.552 -1.756 1.571 1.00 0.00 O ATOM 0 H GLY A 155 13.180 -4.597 -1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 155 14.450 -3.273 0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 155 13.883 -1.814 -0.662 1.00 0.00 H new ATOM 448 N GLY A 156 11.500 -3.537 0.683 1.00 0.00 N ATOM 449 CA GLY A 156 10.414 -3.485 1.640 1.00 0.00 C ATOM 450 C GLY A 156 9.434 -2.368 1.349 1.00 0.00 C ATOM 451 O GLY A 156 8.718 -1.921 2.245 1.00 0.00 O ATOM 0 H GLY A 156 11.429 -4.288 -0.004 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.885 -4.438 1.635 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.823 -3.352 2.642 1.00 0.00 H new ATOM 455 N VAL A 157 9.398 -1.903 0.101 1.00 0.00 N ATOM 456 CA VAL A 157 8.494 -0.823 -0.264 1.00 0.00 C ATOM 457 C VAL A 157 7.120 -1.359 -0.638 1.00 0.00 C ATOM 458 O VAL A 157 6.991 -2.176 -1.551 1.00 0.00 O ATOM 459 CB VAL A 157 9.044 0.053 -1.429 1.00 0.00 C ATOM 460 CG1 VAL A 157 10.531 -0.159 -1.640 1.00 0.00 C ATOM 461 CG2 VAL A 157 8.297 -0.191 -2.736 1.00 0.00 C ATOM 0 H VAL A 157 9.977 -2.254 -0.662 1.00 0.00 H new ATOM 0 HA VAL A 157 8.409 -0.190 0.619 1.00 0.00 H new ATOM 0 HB VAL A 157 8.879 1.088 -1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 157 10.875 0.470 -2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 157 11.069 0.106 -0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 157 10.719 -1.205 -1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.716 0.442 -3.518 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.398 -1.238 -3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 157 7.242 0.048 -2.602 1.00 0.00 H new ATOM 471 N ILE A 158 6.086 -0.880 0.045 1.00 0.00 N ATOM 472 CA ILE A 158 4.736 -1.307 -0.272 1.00 0.00 C ATOM 473 C ILE A 158 4.412 -0.868 -1.689 1.00 0.00 C ATOM 474 O ILE A 158 4.317 0.323 -1.977 1.00 0.00 O ATOM 475 CB ILE A 158 3.692 -0.743 0.715 1.00 0.00 C ATOM 476 CG1 ILE A 158 3.719 0.785 0.743 1.00 0.00 C ATOM 477 CG2 ILE A 158 3.934 -1.296 2.110 1.00 0.00 C ATOM 478 CD1 ILE A 158 2.412 1.387 1.203 1.00 0.00 C ATOM 0 H ILE A 158 6.158 -0.207 0.808 1.00 0.00 H new ATOM 0 HA ILE A 158 4.690 -2.393 -0.186 1.00 0.00 H new ATOM 0 HB ILE A 158 2.706 -1.056 0.372 1.00 0.00 H new ATOM 0 HG12 ILE A 158 4.519 1.117 1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 158 3.954 1.158 -0.254 1.00 0.00 H new ATOM 0 HG21 ILE A 158 3.191 -0.890 2.796 1.00 0.00 H new ATOM 0 HG22 ILE A 158 3.854 -2.383 2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 158 4.931 -1.012 2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 158 2.492 2.474 1.202 1.00 0.00 H new ATOM 0 HD12 ILE A 158 1.613 1.081 0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 158 2.187 1.040 2.212 1.00 0.00 H new ATOM 490 N THR A 159 4.296 -1.829 -2.589 1.00 0.00 N ATOM 491 CA THR A 159 4.042 -1.515 -3.983 1.00 0.00 C ATOM 492 C THR A 159 2.601 -1.096 -4.211 1.00 0.00 C ATOM 493 O THR A 159 1.706 -1.419 -3.431 1.00 0.00 O ATOM 494 CB THR A 159 4.410 -2.698 -4.873 1.00 0.00 C ATOM 495 OG1 THR A 159 3.654 -3.845 -4.532 1.00 0.00 O ATOM 496 CG2 THR A 159 5.876 -3.062 -4.780 1.00 0.00 C ATOM 0 H THR A 159 4.373 -2.825 -2.382 1.00 0.00 H new ATOM 0 HA THR A 159 4.673 -0.668 -4.252 1.00 0.00 H new ATOM 0 HB THR A 159 4.188 -2.381 -5.892 1.00 0.00 H new ATOM 0 HG1 THR A 159 4.158 -4.391 -3.894 1.00 0.00 H new ATOM 0 HG21 THR A 159 6.083 -3.910 -5.433 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.483 -2.210 -5.088 1.00 0.00 H new ATOM 0 HG23 THR A 159 6.120 -3.328 -3.752 1.00 0.00 H new ATOM 504 N VAL A 160 2.395 -0.352 -5.284 1.00 0.00 N ATOM 505 CA VAL A 160 1.071 0.143 -5.626 1.00 0.00 C ATOM 506 C VAL A 160 0.061 -0.993 -5.704 1.00 0.00 C ATOM 507 O VAL A 160 -1.059 -0.879 -5.210 1.00 0.00 O ATOM 508 CB VAL A 160 1.061 0.914 -6.961 1.00 0.00 C ATOM 509 CG1 VAL A 160 0.163 2.117 -6.828 1.00 0.00 C ATOM 510 CG2 VAL A 160 2.460 1.346 -7.379 1.00 0.00 C ATOM 0 H VAL A 160 3.130 -0.076 -5.936 1.00 0.00 H new ATOM 0 HA VAL A 160 0.790 0.830 -4.828 1.00 0.00 H new ATOM 0 HB VAL A 160 0.684 0.249 -7.738 1.00 0.00 H new ATOM 0 HG11 VAL A 160 0.151 2.668 -7.769 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -0.848 1.791 -6.585 1.00 0.00 H new ATOM 0 HG13 VAL A 160 0.536 2.764 -6.034 1.00 0.00 H new ATOM 0 HG21 VAL A 160 2.407 1.886 -8.324 1.00 0.00 H new ATOM 0 HG22 VAL A 160 2.884 1.996 -6.614 1.00 0.00 H new ATOM 0 HG23 VAL A 160 3.092 0.466 -7.499 1.00 0.00 H new ATOM 520 N GLU A 161 0.474 -2.088 -6.318 1.00 0.00 N ATOM 521 CA GLU A 161 -0.382 -3.256 -6.456 1.00 0.00 C ATOM 522 C GLU A 161 -0.686 -3.848 -5.087 1.00 0.00 C ATOM 523 O GLU A 161 -1.729 -4.471 -4.882 1.00 0.00 O ATOM 524 CB GLU A 161 0.288 -4.307 -7.342 1.00 0.00 C ATOM 525 CG GLU A 161 -0.001 -4.130 -8.824 1.00 0.00 C ATOM 526 CD GLU A 161 1.261 -4.062 -9.662 1.00 0.00 C ATOM 527 OE1 GLU A 161 1.845 -2.964 -9.767 1.00 0.00 O ATOM 528 OE2 GLU A 161 1.666 -5.109 -10.212 1.00 0.00 O ATOM 0 H GLU A 161 1.401 -2.194 -6.731 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.316 -2.947 -6.925 1.00 0.00 H new ATOM 0 HB2 GLU A 161 1.366 -4.269 -7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.045 -5.297 -7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.619 -4.958 -9.171 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -0.579 -3.218 -8.971 1.00 0.00 H new ATOM 535 N ASP A 162 0.237 -3.642 -4.153 1.00 0.00 N ATOM 536 CA ASP A 162 0.080 -4.151 -2.796 1.00 0.00 C ATOM 537 C ASP A 162 -1.029 -3.403 -2.068 1.00 0.00 C ATOM 538 O ASP A 162 -1.912 -4.010 -1.460 1.00 0.00 O ATOM 539 CB ASP A 162 1.390 -4.011 -2.016 1.00 0.00 C ATOM 540 CG ASP A 162 2.440 -5.021 -2.435 1.00 0.00 C ATOM 541 OD1 ASP A 162 2.063 -6.080 -2.981 1.00 0.00 O ATOM 542 OD2 ASP A 162 3.643 -4.750 -2.218 1.00 0.00 O ATOM 0 H ASP A 162 1.102 -3.126 -4.312 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.186 -5.206 -2.860 1.00 0.00 H new ATOM 0 HB2 ASP A 162 1.785 -3.005 -2.157 1.00 0.00 H new ATOM 0 HB3 ASP A 162 1.187 -4.127 -0.951 1.00 0.00 H new ATOM 547 N VAL A 163 -0.974 -2.079 -2.135 1.00 0.00 N ATOM 548 CA VAL A 163 -1.976 -1.244 -1.479 1.00 0.00 C ATOM 549 C VAL A 163 -3.314 -1.338 -2.199 1.00 0.00 C ATOM 550 O VAL A 163 -4.359 -1.479 -1.570 1.00 0.00 O ATOM 551 CB VAL A 163 -1.574 0.249 -1.418 1.00 0.00 C ATOM 552 CG1 VAL A 163 -1.845 0.820 -0.033 1.00 0.00 C ATOM 553 CG2 VAL A 163 -0.121 0.476 -1.808 1.00 0.00 C ATOM 0 H VAL A 163 -0.251 -1.561 -2.634 1.00 0.00 H new ATOM 0 HA VAL A 163 -2.053 -1.626 -0.461 1.00 0.00 H new ATOM 0 HB VAL A 163 -2.190 0.773 -2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -1.556 1.871 -0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -2.907 0.731 0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -1.266 0.268 0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.110 1.540 -1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.529 -0.075 -1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.041 0.126 -2.827 1.00 0.00 H new ATOM 563 N LYS A 164 -3.274 -1.238 -3.521 1.00 0.00 N ATOM 564 CA LYS A 164 -4.483 -1.294 -4.332 1.00 0.00 C ATOM 565 C LYS A 164 -5.259 -2.583 -4.089 1.00 0.00 C ATOM 566 O LYS A 164 -6.479 -2.562 -3.934 1.00 0.00 O ATOM 567 CB LYS A 164 -4.126 -1.163 -5.810 1.00 0.00 C ATOM 568 CG LYS A 164 -4.462 0.198 -6.398 1.00 0.00 C ATOM 569 CD LYS A 164 -5.175 0.069 -7.735 1.00 0.00 C ATOM 570 CE LYS A 164 -4.191 -0.152 -8.875 1.00 0.00 C ATOM 571 NZ LYS A 164 -4.548 -1.346 -9.690 1.00 0.00 N ATOM 0 H LYS A 164 -2.414 -1.117 -4.056 1.00 0.00 H new ATOM 0 HA LYS A 164 -5.123 -0.461 -4.041 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -3.060 -1.351 -5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -4.654 -1.933 -6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -5.092 0.751 -5.701 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -3.547 0.775 -6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -5.878 -0.763 -7.694 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -5.758 0.970 -7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -4.170 0.731 -9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -3.187 -0.276 -8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -3.855 -1.463 -10.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -4.543 -2.193 -9.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -5.496 -1.217 -10.098 1.00 0.00 H new ATOM 585 N ARG A 165 -4.549 -3.703 -4.064 1.00 0.00 N ATOM 586 CA ARG A 165 -5.182 -5.000 -3.846 1.00 0.00 C ATOM 587 C ARG A 165 -5.692 -5.134 -2.412 1.00 0.00 C ATOM 588 O ARG A 165 -6.799 -5.620 -2.178 1.00 0.00 O ATOM 589 CB ARG A 165 -4.202 -6.133 -4.162 1.00 0.00 C ATOM 590 CG ARG A 165 -3.093 -6.294 -3.134 1.00 0.00 C ATOM 591 CD ARG A 165 -2.123 -7.397 -3.528 1.00 0.00 C ATOM 592 NE ARG A 165 -2.335 -8.617 -2.752 1.00 0.00 N ATOM 593 CZ ARG A 165 -1.898 -8.788 -1.506 1.00 0.00 C ATOM 594 NH1 ARG A 165 -1.225 -7.823 -0.892 1.00 0.00 N ATOM 595 NH2 ARG A 165 -2.137 -9.928 -0.872 1.00 0.00 N ATOM 0 H ARG A 165 -3.538 -3.741 -4.191 1.00 0.00 H new ATOM 0 HA ARG A 165 -6.037 -5.070 -4.519 1.00 0.00 H new ATOM 0 HB2 ARG A 165 -4.756 -7.069 -4.234 1.00 0.00 H new ATOM 0 HB3 ARG A 165 -3.755 -5.951 -5.139 1.00 0.00 H new ATOM 0 HG2 ARG A 165 -2.553 -5.353 -3.030 1.00 0.00 H new ATOM 0 HG3 ARG A 165 -3.528 -6.521 -2.161 1.00 0.00 H new ATOM 0 HD2 ARG A 165 -2.237 -7.618 -4.589 1.00 0.00 H new ATOM 0 HD3 ARG A 165 -1.100 -7.049 -3.383 1.00 0.00 H new ATOM 0 HE ARG A 165 -2.848 -9.382 -3.190 1.00 0.00 H new ATOM 0 HH11 ARG A 165 -1.040 -6.944 -1.375 1.00 0.00 H new ATOM 0 HH12 ARG A 165 -0.893 -7.961 0.063 1.00 0.00 H new ATOM 0 HH21 ARG A 165 -2.655 -10.672 -1.339 1.00 0.00 H new ATOM 0 HH22 ARG A 165 -1.803 -10.060 0.083 1.00 0.00 H new ATOM 609 N TRP A 166 -4.876 -4.705 -1.455 1.00 0.00 N ATOM 610 CA TRP A 166 -5.244 -4.788 -0.047 1.00 0.00 C ATOM 611 C TRP A 166 -6.436 -3.890 0.275 1.00 0.00 C ATOM 612 O TRP A 166 -7.403 -4.326 0.900 1.00 0.00 O ATOM 613 CB TRP A 166 -4.056 -4.404 0.833 1.00 0.00 C ATOM 614 CG TRP A 166 -4.137 -4.976 2.213 1.00 0.00 C ATOM 615 CD1 TRP A 166 -5.124 -4.760 3.131 1.00 0.00 C ATOM 616 CD2 TRP A 166 -3.197 -5.858 2.833 1.00 0.00 C ATOM 617 NE1 TRP A 166 -4.855 -5.457 4.284 1.00 0.00 N ATOM 618 CE2 TRP A 166 -3.677 -6.138 4.126 1.00 0.00 C ATOM 619 CE3 TRP A 166 -1.995 -6.441 2.421 1.00 0.00 C ATOM 620 CZ2 TRP A 166 -2.998 -6.973 5.008 1.00 0.00 C ATOM 621 CZ3 TRP A 166 -1.321 -7.269 3.297 1.00 0.00 C ATOM 622 CH2 TRP A 166 -1.825 -7.529 4.578 1.00 0.00 C ATOM 0 H TRP A 166 -3.957 -4.297 -1.629 1.00 0.00 H new ATOM 0 HA TRP A 166 -5.531 -5.819 0.159 1.00 0.00 H new ATOM 0 HB2 TRP A 166 -3.136 -4.744 0.359 1.00 0.00 H new ATOM 0 HB3 TRP A 166 -3.997 -3.318 0.900 1.00 0.00 H new ATOM 0 HD1 TRP A 166 -5.989 -4.133 2.974 1.00 0.00 H new ATOM 0 HE1 TRP A 166 -5.438 -5.466 5.121 1.00 0.00 H new ATOM 0 HE3 TRP A 166 -1.600 -6.247 1.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 -3.383 -7.175 5.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 -0.391 -7.723 2.990 1.00 0.00 H new ATOM 0 HH2 TRP A 166 -1.276 -8.182 5.240 1.00 0.00 H new ATOM 633 N ALA A 167 -6.356 -2.632 -0.146 1.00 0.00 N ATOM 634 CA ALA A 167 -7.421 -1.669 0.107 1.00 0.00 C ATOM 635 C ALA A 167 -8.694 -2.027 -0.655 1.00 0.00 C ATOM 636 O ALA A 167 -9.789 -1.995 -0.093 1.00 0.00 O ATOM 637 CB ALA A 167 -6.957 -0.267 -0.255 1.00 0.00 C ATOM 0 H ALA A 167 -5.563 -2.255 -0.665 1.00 0.00 H new ATOM 0 HA ALA A 167 -7.656 -1.701 1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 167 -7.761 0.443 -0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 167 -6.088 -0.004 0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 167 -6.689 -0.234 -1.311 1.00 0.00 H new ATOM 643 N GLU A 168 -8.550 -2.363 -1.933 1.00 0.00 N ATOM 644 CA GLU A 168 -9.702 -2.720 -2.755 1.00 0.00 C ATOM 645 C GLU A 168 -10.427 -3.931 -2.175 1.00 0.00 C ATOM 646 O GLU A 168 -11.656 -3.996 -2.186 1.00 0.00 O ATOM 647 CB GLU A 168 -9.269 -3.001 -4.198 1.00 0.00 C ATOM 648 CG GLU A 168 -8.565 -4.336 -4.384 1.00 0.00 C ATOM 649 CD GLU A 168 -8.092 -4.552 -5.808 1.00 0.00 C ATOM 650 OE1 GLU A 168 -7.194 -3.809 -6.255 1.00 0.00 O ATOM 651 OE2 GLU A 168 -8.620 -5.466 -6.477 1.00 0.00 O ATOM 0 H GLU A 168 -7.654 -2.396 -2.420 1.00 0.00 H new ATOM 0 HA GLU A 168 -10.391 -1.875 -2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -10.148 -2.973 -4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -8.605 -2.203 -4.529 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -7.711 -4.389 -3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -9.243 -5.142 -4.104 1.00 0.00 H new ATOM 658 N GLU A 169 -9.657 -4.884 -1.666 1.00 0.00 N ATOM 659 CA GLU A 169 -10.224 -6.092 -1.078 1.00 0.00 C ATOM 660 C GLU A 169 -11.142 -5.749 0.094 1.00 0.00 C ATOM 661 O GLU A 169 -12.079 -6.488 0.398 1.00 0.00 O ATOM 662 CB GLU A 169 -9.106 -7.028 -0.610 1.00 0.00 C ATOM 663 CG GLU A 169 -8.859 -8.196 -1.552 1.00 0.00 C ATOM 664 CD GLU A 169 -8.411 -9.448 -0.824 1.00 0.00 C ATOM 665 OE1 GLU A 169 -9.068 -9.825 0.168 1.00 0.00 O ATOM 666 OE2 GLU A 169 -7.401 -10.050 -1.246 1.00 0.00 O ATOM 0 H GLU A 169 -8.638 -4.844 -1.648 1.00 0.00 H new ATOM 0 HA GLU A 169 -10.815 -6.596 -1.842 1.00 0.00 H new ATOM 0 HB2 GLU A 169 -8.184 -6.456 -0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 169 -9.356 -7.415 0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 169 -9.773 -8.410 -2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 169 -8.101 -7.914 -2.283 1.00 0.00 H new ATOM 673 N THR A 170 -10.866 -4.623 0.746 1.00 0.00 N ATOM 674 CA THR A 170 -11.663 -4.180 1.882 1.00 0.00 C ATOM 675 C THR A 170 -13.050 -3.738 1.429 1.00 0.00 C ATOM 676 O THR A 170 -14.062 -4.199 1.957 1.00 0.00 O ATOM 677 CB THR A 170 -10.957 -3.032 2.603 1.00 0.00 C ATOM 678 OG1 THR A 170 -11.197 -1.799 1.944 1.00 0.00 O ATOM 679 CG2 THR A 170 -9.458 -3.213 2.705 1.00 0.00 C ATOM 0 H THR A 170 -10.094 -4.001 0.505 1.00 0.00 H new ATOM 0 HA THR A 170 -11.776 -5.018 2.570 1.00 0.00 H new ATOM 0 HB THR A 170 -11.374 -3.030 3.610 1.00 0.00 H new ATOM 0 HG1 THR A 170 -10.403 -1.543 1.430 1.00 0.00 H new ATOM 0 HG21 THR A 170 -9.023 -2.361 3.228 1.00 0.00 H new ATOM 0 HG22 THR A 170 -9.239 -4.128 3.256 1.00 0.00 H new ATOM 0 HG23 THR A 170 -9.031 -3.281 1.705 1.00 0.00 H new ATOM 687 N ALA A 171 -13.089 -2.848 0.443 1.00 0.00 N ATOM 688 CA ALA A 171 -14.352 -2.353 -0.086 1.00 0.00 C ATOM 689 C ALA A 171 -15.076 -3.450 -0.857 1.00 0.00 C ATOM 690 O ALA A 171 -16.305 -3.466 -0.933 1.00 0.00 O ATOM 691 CB ALA A 171 -14.116 -1.143 -0.978 1.00 0.00 C ATOM 0 H ALA A 171 -12.261 -2.456 -0.005 1.00 0.00 H new ATOM 0 HA ALA A 171 -14.981 -2.049 0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -15.070 -0.785 -1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -13.639 -0.352 -0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -13.469 -1.424 -1.809 1.00 0.00 H new ATOM 697 N LYS A 172 -14.301 -4.370 -1.421 1.00 0.00 N ATOM 698 CA LYS A 172 -14.857 -5.480 -2.183 1.00 0.00 C ATOM 699 C LYS A 172 -15.674 -6.398 -1.278 1.00 0.00 C ATOM 700 O LYS A 172 -16.651 -7.008 -1.714 1.00 0.00 O ATOM 701 CB LYS A 172 -13.730 -6.270 -2.855 1.00 0.00 C ATOM 702 CG LYS A 172 -13.678 -6.090 -4.364 1.00 0.00 C ATOM 703 CD LYS A 172 -12.942 -7.238 -5.039 1.00 0.00 C ATOM 704 CE LYS A 172 -11.820 -6.733 -5.932 1.00 0.00 C ATOM 705 NZ LYS A 172 -11.580 -7.639 -7.089 1.00 0.00 N ATOM 0 H LYS A 172 -13.283 -4.368 -1.364 1.00 0.00 H new ATOM 0 HA LYS A 172 -15.517 -5.077 -2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 172 -12.776 -5.962 -2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 172 -13.854 -7.329 -2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 172 -14.692 -6.025 -4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 172 -13.182 -5.149 -4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 172 -12.532 -7.905 -4.280 1.00 0.00 H new ATOM 0 HD3 LYS A 172 -13.645 -7.823 -5.632 1.00 0.00 H new ATOM 0 HE2 LYS A 172 -12.067 -5.736 -6.297 1.00 0.00 H new ATOM 0 HE3 LYS A 172 -10.905 -6.640 -5.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 172 -10.808 -7.259 -7.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 172 -11.319 -8.584 -6.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 172 -12.445 -7.708 -7.662 1.00 0.00 H new ATOM 719 N ALA A 173 -15.264 -6.491 -0.017 1.00 0.00 N ATOM 720 CA ALA A 173 -15.953 -7.332 0.952 1.00 0.00 C ATOM 721 C ALA A 173 -17.134 -6.596 1.577 1.00 0.00 C ATOM 722 O ALA A 173 -18.291 -6.938 1.333 1.00 0.00 O ATOM 723 CB ALA A 173 -14.984 -7.792 2.032 1.00 0.00 C ATOM 0 H ALA A 173 -14.456 -5.993 0.357 1.00 0.00 H new ATOM 0 HA ALA A 173 -16.340 -8.206 0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -15.511 -8.420 2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -14.175 -8.363 1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -14.571 -6.923 2.544 1.00 0.00 H new ATOM 729 N THR A 174 -16.834 -5.583 2.384 1.00 0.00 N ATOM 730 CA THR A 174 -17.871 -4.798 3.043 1.00 0.00 C ATOM 731 C THR A 174 -18.747 -4.084 2.019 1.00 0.00 C ATOM 732 O THR A 174 -18.244 -3.426 1.108 1.00 0.00 O ATOM 733 CB THR A 174 -17.241 -3.777 3.992 1.00 0.00 C ATOM 734 OG1 THR A 174 -16.110 -3.167 3.395 1.00 0.00 O ATOM 735 CG2 THR A 174 -16.797 -4.378 5.309 1.00 0.00 C ATOM 0 H THR A 174 -15.881 -5.287 2.597 1.00 0.00 H new ATOM 0 HA THR A 174 -18.498 -5.480 3.618 1.00 0.00 H new ATOM 0 HB THR A 174 -18.025 -3.046 4.190 1.00 0.00 H new ATOM 0 HG1 THR A 174 -15.723 -2.516 4.017 1.00 0.00 H new ATOM 0 HG21 THR A 174 -16.359 -3.600 5.935 1.00 0.00 H new ATOM 0 HG22 THR A 174 -17.657 -4.813 5.819 1.00 0.00 H new ATOM 0 HG23 THR A 174 -16.055 -5.154 5.123 1.00 0.00 H new ATOM 743 N ALA A 175 -20.060 -4.218 2.174 1.00 0.00 N ATOM 744 CA ALA A 175 -21.005 -3.585 1.263 1.00 0.00 C ATOM 745 C ALA A 175 -21.386 -2.190 1.749 1.00 0.00 C ATOM 746 O ALA A 175 -22.420 -1.664 1.283 1.00 0.00 O ATOM 747 CB ALA A 175 -22.248 -4.449 1.110 1.00 0.00 C ATOM 748 OXT ALA A 175 -20.649 -1.636 2.591 1.00 0.00 O ATOM 0 H ALA A 175 -20.493 -4.759 2.922 1.00 0.00 H new ATOM 0 HA ALA A 175 -20.523 -3.484 0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 175 -22.946 -3.965 0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 175 -21.967 -5.424 0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 175 -22.723 -4.579 2.082 1.00 0.00 H new TER 754 ALA A 175