USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=9 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 164 MET CE :methyl 167:sc= -4.92! (180deg=-4.11!) USER MOD Set 1.2: A 166 THR OG1 : rot 180:sc= -0.605 USER MOD Set 2.1: A 141 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 180 GLN : amide:sc= -1.59 K(o=-1.6,f=-3.8!) USER MOD Single : A 128 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.005) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 THR OG1 : rot -81:sc= 0.0497 USER MOD Single : A 155 ASN : amide:sc=-0.00558 X(o=-0.0056,f=0.16) 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 172 THR OG1 : rot 77:sc= 0.432 USER MOD Single : A 179 SER OG : rot 180:sc= 0.112 USER MOD Single : A 183 LYS NZ :NH3+ -158:sc= 0.197 (180deg=0.0904) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 127 -4.362 -4.608 -8.045 1.00 0.00 N ATOM 2 CA ALA A 127 -5.186 -5.417 -7.110 1.00 0.00 C ATOM 3 C ALA A 127 -5.541 -6.767 -7.722 1.00 0.00 C ATOM 4 O ALA A 127 -6.596 -7.333 -7.433 1.00 0.00 O ATOM 5 CB ALA A 127 -6.450 -4.659 -6.733 1.00 0.00 C ATOM 0 HA ALA A 127 -4.600 -5.598 -6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -7.045 -5.262 -6.048 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -6.181 -3.720 -6.250 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -7.031 -4.451 -7.631 1.00 0.00 H new ATOM 13 N GLN A 128 -4.653 -7.279 -8.568 1.00 0.00 N ATOM 14 CA GLN A 128 -4.872 -8.563 -9.222 1.00 0.00 C ATOM 15 C GLN A 128 -4.475 -9.717 -8.305 1.00 0.00 C ATOM 16 O GLN A 128 -5.198 -10.706 -8.187 1.00 0.00 O ATOM 17 CB GLN A 128 -4.077 -8.636 -10.527 1.00 0.00 C ATOM 18 CG GLN A 128 -4.782 -9.411 -11.628 1.00 0.00 C ATOM 19 CD GLN A 128 -3.824 -10.229 -12.472 1.00 0.00 C ATOM 20 OE1 GLN A 128 -3.755 -10.061 -13.689 1.00 0.00 O ATOM 21 NE2 GLN A 128 -3.080 -11.118 -11.827 1.00 0.00 N ATOM 0 H GLN A 128 -3.775 -6.824 -8.817 1.00 0.00 H new ATOM 0 HA GLN A 128 -5.935 -8.651 -9.446 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -3.877 -7.624 -10.878 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -3.111 -9.101 -10.329 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -5.524 -10.073 -11.183 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -5.321 -8.714 -12.270 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -3.171 -11.222 -10.816 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -2.416 -11.697 -12.342 1.00 0.00 H new ATOM 30 N VAL A 129 -3.321 -9.582 -7.660 1.00 0.00 N ATOM 31 CA VAL A 129 -2.828 -10.614 -6.755 1.00 0.00 C ATOM 32 C VAL A 129 -3.184 -10.291 -5.308 1.00 0.00 C ATOM 33 O VAL A 129 -3.802 -9.264 -5.024 1.00 0.00 O ATOM 34 CB VAL A 129 -1.301 -10.780 -6.871 1.00 0.00 C ATOM 35 CG1 VAL A 129 -0.934 -11.425 -8.198 1.00 0.00 C ATOM 36 CG2 VAL A 129 -0.604 -9.438 -6.710 1.00 0.00 C ATOM 0 H VAL A 129 -2.711 -8.770 -7.747 1.00 0.00 H new ATOM 0 HA VAL A 129 -3.311 -11.547 -7.046 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.963 -11.436 -6.069 1.00 0.00 H new ATOM 0 HG11 VAL A 129 0.149 -11.534 -8.262 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.403 -12.407 -8.267 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -1.285 -10.797 -9.017 1.00 0.00 H new ATOM 0 HG21 VAL A 129 0.474 -9.575 -6.795 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -0.945 -8.755 -7.488 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -0.841 -9.020 -5.731 1.00 0.00 H new ATOM 46 N ALA A 130 -2.789 -11.174 -4.396 1.00 0.00 N ATOM 47 CA ALA A 130 -3.066 -10.983 -2.978 1.00 0.00 C ATOM 48 C ALA A 130 -2.263 -9.817 -2.414 1.00 0.00 C ATOM 49 O ALA A 130 -1.061 -9.701 -2.658 1.00 0.00 O ATOM 50 CB ALA A 130 -2.763 -12.258 -2.206 1.00 0.00 C ATOM 0 H ALA A 130 -2.276 -12.028 -4.614 1.00 0.00 H new ATOM 0 HA ALA A 130 -4.124 -10.747 -2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -2.974 -12.102 -1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -3.385 -13.069 -2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -1.712 -12.518 -2.332 1.00 0.00 H new ATOM 56 N PHE A 131 -2.933 -8.953 -1.658 1.00 0.00 N ATOM 57 CA PHE A 131 -2.280 -7.795 -1.059 1.00 0.00 C ATOM 58 C PHE A 131 -1.583 -8.176 0.243 1.00 0.00 C ATOM 59 O PHE A 131 -1.874 -9.217 0.832 1.00 0.00 O ATOM 60 CB PHE A 131 -3.302 -6.686 -0.797 1.00 0.00 C ATOM 61 CG PHE A 131 -2.683 -5.328 -0.626 1.00 0.00 C ATOM 62 CD1 PHE A 131 -2.485 -4.500 -1.721 1.00 0.00 C ATOM 63 CD2 PHE A 131 -2.301 -4.879 0.627 1.00 0.00 C ATOM 64 CE1 PHE A 131 -1.917 -3.249 -1.567 1.00 0.00 C ATOM 65 CE2 PHE A 131 -1.731 -3.630 0.787 1.00 0.00 C ATOM 66 CZ PHE A 131 -1.539 -2.814 -0.311 1.00 0.00 C ATOM 0 H PHE A 131 -3.927 -9.033 -1.446 1.00 0.00 H new ATOM 0 HA PHE A 131 -1.529 -7.431 -1.760 1.00 0.00 H new ATOM 0 HB2 PHE A 131 -4.010 -6.652 -1.625 1.00 0.00 H new ATOM 0 HB3 PHE A 131 -3.872 -6.932 0.099 1.00 0.00 H new ATOM 0 HD1 PHE A 131 -2.778 -4.836 -2.705 1.00 0.00 H new ATOM 0 HD2 PHE A 131 -2.450 -5.512 1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 131 -1.769 -2.613 -2.427 1.00 0.00 H new ATOM 0 HE2 PHE A 131 -1.436 -3.292 1.770 1.00 0.00 H new ATOM 0 HZ PHE A 131 -1.094 -1.838 -0.188 1.00 0.00 H new ATOM 76 N ARG A 132 -0.659 -7.328 0.686 1.00 0.00 N ATOM 77 CA ARG A 132 0.079 -7.579 1.918 1.00 0.00 C ATOM 78 C ARG A 132 0.576 -6.273 2.529 1.00 0.00 C ATOM 79 O ARG A 132 0.906 -5.327 1.815 1.00 0.00 O ATOM 80 CB ARG A 132 1.261 -8.512 1.648 1.00 0.00 C ATOM 81 CG ARG A 132 1.919 -9.040 2.911 1.00 0.00 C ATOM 82 CD ARG A 132 1.355 -10.393 3.310 1.00 0.00 C ATOM 83 NE ARG A 132 1.838 -10.824 4.620 1.00 0.00 N ATOM 84 CZ ARG A 132 1.673 -12.053 5.105 1.00 0.00 C ATOM 85 NH1 ARG A 132 1.034 -12.974 4.393 1.00 0.00 N ATOM 86 NH2 ARG A 132 2.144 -12.361 6.304 1.00 0.00 N ATOM 0 H ARG A 132 -0.404 -6.462 0.210 1.00 0.00 H new ATOM 0 HA ARG A 132 -0.597 -8.057 2.627 1.00 0.00 H new ATOM 0 HB2 ARG A 132 0.918 -9.355 1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 132 2.005 -7.980 1.056 1.00 0.00 H new ATOM 0 HG2 ARG A 132 2.994 -9.125 2.754 1.00 0.00 H new ATOM 0 HG3 ARG A 132 1.771 -8.329 3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 132 0.266 -10.342 3.324 1.00 0.00 H new ATOM 0 HD3 ARG A 132 1.629 -11.135 2.560 1.00 0.00 H new ATOM 0 HE ARG A 132 2.331 -10.143 5.197 1.00 0.00 H new ATOM 0 HH11 ARG A 132 0.667 -12.741 3.470 1.00 0.00 H new ATOM 0 HH12 ARG A 132 0.910 -13.914 4.769 1.00 0.00 H new ATOM 0 HH21 ARG A 132 2.633 -11.657 6.856 1.00 0.00 H new ATOM 0 HH22 ARG A 132 2.017 -13.303 6.675 1.00 0.00 H new ATOM 100 N GLU A 133 0.629 -6.231 3.858 1.00 0.00 N ATOM 101 CA GLU A 133 1.086 -5.042 4.566 1.00 0.00 C ATOM 102 C GLU A 133 2.564 -4.781 4.289 1.00 0.00 C ATOM 103 O GLU A 133 3.391 -5.690 4.373 1.00 0.00 O ATOM 104 CB GLU A 133 0.856 -5.198 6.070 1.00 0.00 C ATOM 105 CG GLU A 133 1.615 -6.364 6.683 1.00 0.00 C ATOM 106 CD GLU A 133 0.956 -6.890 7.944 1.00 0.00 C ATOM 107 OE1 GLU A 133 -0.291 -6.858 8.019 1.00 0.00 O ATOM 108 OE2 GLU A 133 1.686 -7.333 8.855 1.00 0.00 O ATOM 0 H GLU A 133 0.361 -7.006 4.464 1.00 0.00 H new ATOM 0 HA GLU A 133 0.510 -4.190 4.205 1.00 0.00 H new ATOM 0 HB2 GLU A 133 1.153 -4.277 6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -0.210 -5.332 6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 133 1.688 -7.170 5.952 1.00 0.00 H new ATOM 0 HG3 GLU A 133 2.633 -6.049 6.913 1.00 0.00 H new ATOM 115 N GLY A 134 2.889 -3.536 3.959 1.00 0.00 N ATOM 116 CA GLY A 134 4.267 -3.180 3.675 1.00 0.00 C ATOM 117 C GLY A 134 4.523 -2.955 2.196 1.00 0.00 C ATOM 118 O GLY A 134 5.553 -2.400 1.817 1.00 0.00 O ATOM 0 H GLY A 134 2.223 -2.767 3.883 1.00 0.00 H new ATOM 0 HA2 GLY A 134 4.525 -2.275 4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 134 4.924 -3.971 4.037 1.00 0.00 H new ATOM 122 N ASP A 135 3.584 -3.389 1.357 1.00 0.00 N ATOM 123 CA ASP A 135 3.719 -3.230 -0.089 1.00 0.00 C ATOM 124 C ASP A 135 3.960 -1.769 -0.456 1.00 0.00 C ATOM 125 O ASP A 135 3.749 -0.869 0.358 1.00 0.00 O ATOM 126 CB ASP A 135 2.466 -3.748 -0.799 1.00 0.00 C ATOM 127 CG ASP A 135 2.636 -5.168 -1.303 1.00 0.00 C ATOM 128 OD1 ASP A 135 3.744 -5.503 -1.771 1.00 0.00 O ATOM 129 OD2 ASP A 135 1.660 -5.945 -1.232 1.00 0.00 O ATOM 0 H ASP A 135 2.724 -3.852 1.653 1.00 0.00 H new ATOM 0 HA ASP A 135 4.580 -3.813 -0.415 1.00 0.00 H new ATOM 0 HB2 ASP A 135 1.620 -3.707 -0.114 1.00 0.00 H new ATOM 0 HB3 ASP A 135 2.229 -3.093 -1.638 1.00 0.00 H new ATOM 134 N GLN A 136 4.407 -1.539 -1.686 1.00 0.00 N ATOM 135 CA GLN A 136 4.680 -0.186 -2.160 1.00 0.00 C ATOM 136 C GLN A 136 3.692 0.224 -3.246 1.00 0.00 C ATOM 137 O GLN A 136 3.661 -0.364 -4.327 1.00 0.00 O ATOM 138 CB GLN A 136 6.111 -0.090 -2.693 1.00 0.00 C ATOM 139 CG GLN A 136 6.452 -1.160 -3.717 1.00 0.00 C ATOM 140 CD GLN A 136 7.382 -2.223 -3.162 1.00 0.00 C ATOM 141 OE1 GLN A 136 8.448 -1.914 -2.629 1.00 0.00 O ATOM 142 NE2 GLN A 136 6.984 -3.482 -3.287 1.00 0.00 N ATOM 0 H GLN A 136 4.588 -2.271 -2.373 1.00 0.00 H new ATOM 0 HA GLN A 136 4.565 0.496 -1.317 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.257 0.892 -3.143 1.00 0.00 H new ATOM 0 HB3 GLN A 136 6.807 -0.164 -1.857 1.00 0.00 H new ATOM 0 HG2 GLN A 136 5.533 -1.632 -4.064 1.00 0.00 H new ATOM 0 HG3 GLN A 136 6.917 -0.692 -4.585 1.00 0.00 H new ATOM 0 HE21 GLN A 136 6.093 -3.693 -3.736 1.00 0.00 H new ATOM 0 HE22 GLN A 136 7.569 -4.239 -2.934 1.00 0.00 H new ATOM 151 N VAL A 137 2.888 1.240 -2.952 1.00 0.00 N ATOM 152 CA VAL A 137 1.899 1.736 -3.902 1.00 0.00 C ATOM 153 C VAL A 137 2.204 3.176 -4.301 1.00 0.00 C ATOM 154 O VAL A 137 2.585 3.994 -3.464 1.00 0.00 O ATOM 155 CB VAL A 137 0.475 1.669 -3.320 1.00 0.00 C ATOM 156 CG1 VAL A 137 0.056 0.225 -3.096 1.00 0.00 C ATOM 157 CG2 VAL A 137 0.390 2.462 -2.024 1.00 0.00 C ATOM 0 H VAL A 137 2.902 1.737 -2.061 1.00 0.00 H new ATOM 0 HA VAL A 137 1.952 1.094 -4.781 1.00 0.00 H new ATOM 0 HB VAL A 137 -0.212 2.115 -4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.953 0.199 -2.684 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.075 -0.311 -4.045 1.00 0.00 H new ATOM 0 HG13 VAL A 137 0.745 -0.250 -2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.624 2.403 -1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.089 2.047 -1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.644 3.504 -2.218 1.00 0.00 H new ATOM 167 N ARG A 138 2.036 3.483 -5.585 1.00 0.00 N ATOM 168 CA ARG A 138 2.298 4.827 -6.083 1.00 0.00 C ATOM 169 C ARG A 138 1.129 5.758 -5.782 1.00 0.00 C ATOM 170 O ARG A 138 -0.010 5.317 -5.628 1.00 0.00 O ATOM 171 CB ARG A 138 2.569 4.800 -7.589 1.00 0.00 C ATOM 172 CG ARG A 138 4.024 5.065 -7.949 1.00 0.00 C ATOM 173 CD ARG A 138 4.633 3.902 -8.716 1.00 0.00 C ATOM 174 NE ARG A 138 4.635 4.139 -10.159 1.00 0.00 N ATOM 175 CZ ARG A 138 4.743 3.172 -11.068 1.00 0.00 C ATOM 176 NH1 ARG A 138 4.859 1.905 -10.691 1.00 0.00 N ATOM 177 NH2 ARG A 138 4.736 3.475 -12.359 1.00 0.00 N ATOM 0 H ARG A 138 1.721 2.822 -6.295 1.00 0.00 H new ATOM 0 HA ARG A 138 3.183 5.206 -5.572 1.00 0.00 H new ATOM 0 HB2 ARG A 138 2.276 3.828 -7.985 1.00 0.00 H new ATOM 0 HB3 ARG A 138 1.941 5.545 -8.077 1.00 0.00 H new ATOM 0 HG2 ARG A 138 4.091 5.972 -8.549 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.598 5.242 -7.039 1.00 0.00 H new ATOM 0 HD2 ARG A 138 5.655 3.738 -8.374 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.074 2.992 -8.499 1.00 0.00 H new ATOM 0 HE ARG A 138 4.549 5.101 -10.488 1.00 0.00 H new ATOM 0 HH11 ARG A 138 4.866 1.667 -9.699 1.00 0.00 H new ATOM 0 HH12 ARG A 138 4.941 1.170 -11.393 1.00 0.00 H new ATOM 0 HH21 ARG A 138 4.648 4.447 -12.654 1.00 0.00 H new ATOM 0 HH22 ARG A 138 4.819 2.736 -13.057 1.00 0.00 H new ATOM 191 N VAL A 139 1.425 7.048 -5.705 1.00 0.00 N ATOM 192 CA VAL A 139 0.409 8.055 -5.428 1.00 0.00 C ATOM 193 C VAL A 139 -0.120 8.662 -6.728 1.00 0.00 C ATOM 194 O VAL A 139 0.452 8.438 -7.794 1.00 0.00 O ATOM 195 CB VAL A 139 0.969 9.170 -4.524 1.00 0.00 C ATOM 196 CG1 VAL A 139 -0.127 10.142 -4.125 1.00 0.00 C ATOM 197 CG2 VAL A 139 1.634 8.573 -3.294 1.00 0.00 C ATOM 0 H VAL A 139 2.365 7.424 -5.831 1.00 0.00 H new ATOM 0 HA VAL A 139 -0.412 7.562 -4.907 1.00 0.00 H new ATOM 0 HB VAL A 139 1.721 9.723 -5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.292 10.920 -3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -0.554 10.596 -5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.907 9.608 -3.582 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.024 9.374 -2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 139 0.903 7.994 -2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 139 2.452 7.923 -3.602 1.00 0.00 H new ATOM 207 N VAL A 140 -1.225 9.402 -6.645 1.00 0.00 N ATOM 208 CA VAL A 140 -1.826 10.003 -7.833 1.00 0.00 C ATOM 209 C VAL A 140 -2.209 11.472 -7.631 1.00 0.00 C ATOM 210 O VAL A 140 -2.389 12.207 -8.603 1.00 0.00 O ATOM 211 CB VAL A 140 -3.087 9.225 -8.243 1.00 0.00 C ATOM 212 CG1 VAL A 140 -2.771 7.748 -8.402 1.00 0.00 C ATOM 213 CG2 VAL A 140 -4.194 9.437 -7.218 1.00 0.00 C ATOM 0 H VAL A 140 -1.718 9.598 -5.774 1.00 0.00 H new ATOM 0 HA VAL A 140 -1.067 9.955 -8.614 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.435 9.602 -9.205 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -3.674 7.212 -8.692 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -2.010 7.620 -9.171 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -2.402 7.351 -7.456 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -5.081 8.881 -7.520 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -3.859 9.084 -6.243 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -4.435 10.498 -7.157 1.00 0.00 H new ATOM 223 N SER A 141 -2.368 11.888 -6.380 1.00 0.00 N ATOM 224 CA SER A 141 -2.770 13.261 -6.082 1.00 0.00 C ATOM 225 C SER A 141 -1.601 14.236 -6.174 1.00 0.00 C ATOM 226 O SER A 141 -0.453 13.879 -5.911 1.00 0.00 O ATOM 227 CB SER A 141 -3.397 13.334 -4.689 1.00 0.00 C ATOM 228 OG SER A 141 -4.789 13.069 -4.741 1.00 0.00 O ATOM 0 H SER A 141 -2.226 11.300 -5.559 1.00 0.00 H new ATOM 0 HA SER A 141 -3.504 13.554 -6.833 1.00 0.00 H new ATOM 0 HB2 SER A 141 -2.911 12.614 -4.030 1.00 0.00 H new ATOM 0 HB3 SER A 141 -3.228 14.322 -4.262 1.00 0.00 H new ATOM 0 HG SER A 141 -5.166 13.120 -3.838 1.00 0.00 H new ATOM 234 N GLY A 142 -1.917 15.478 -6.543 1.00 0.00 N ATOM 235 CA GLY A 142 -0.910 16.524 -6.664 1.00 0.00 C ATOM 236 C GLY A 142 0.397 16.045 -7.271 1.00 0.00 C ATOM 237 O GLY A 142 0.404 15.133 -8.099 1.00 0.00 O ATOM 0 H GLY A 142 -2.866 15.781 -6.763 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -1.310 17.332 -7.276 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -0.711 16.940 -5.677 1.00 0.00 H new ATOM 241 N PRO A 143 1.531 16.645 -6.866 1.00 0.00 N ATOM 242 CA PRO A 143 2.853 16.269 -7.375 1.00 0.00 C ATOM 243 C PRO A 143 3.339 14.933 -6.814 1.00 0.00 C ATOM 244 O PRO A 143 4.465 14.513 -7.081 1.00 0.00 O ATOM 245 CB PRO A 143 3.751 17.405 -6.889 1.00 0.00 C ATOM 246 CG PRO A 143 3.088 17.911 -5.655 1.00 0.00 C ATOM 247 CD PRO A 143 1.610 17.738 -5.877 1.00 0.00 C ATOM 0 HA PRO A 143 2.849 16.137 -8.457 1.00 0.00 H new ATOM 0 HB2 PRO A 143 4.760 17.050 -6.679 1.00 0.00 H new ATOM 0 HB3 PRO A 143 3.839 18.189 -7.641 1.00 0.00 H new ATOM 0 HG2 PRO A 143 3.419 17.354 -4.778 1.00 0.00 H new ATOM 0 HG3 PRO A 143 3.336 18.958 -5.480 1.00 0.00 H new ATOM 0 HD2 PRO A 143 1.094 17.480 -4.952 1.00 0.00 H new ATOM 0 HD3 PRO A 143 1.152 18.653 -6.253 1.00 0.00 H new ATOM 255 N PHE A 144 2.485 14.269 -6.039 1.00 0.00 N ATOM 256 CA PHE A 144 2.833 12.985 -5.447 1.00 0.00 C ATOM 257 C PHE A 144 2.686 11.856 -6.461 1.00 0.00 C ATOM 258 O PHE A 144 3.079 10.722 -6.192 1.00 0.00 O ATOM 259 CB PHE A 144 1.937 12.681 -4.242 1.00 0.00 C ATOM 260 CG PHE A 144 1.415 13.896 -3.529 1.00 0.00 C ATOM 261 CD1 PHE A 144 2.270 14.906 -3.123 1.00 0.00 C ATOM 262 CD2 PHE A 144 0.061 14.021 -3.268 1.00 0.00 C ATOM 263 CE1 PHE A 144 1.784 16.021 -2.469 1.00 0.00 C ATOM 264 CE2 PHE A 144 -0.433 15.131 -2.614 1.00 0.00 C ATOM 265 CZ PHE A 144 0.429 16.134 -2.214 1.00 0.00 C ATOM 0 H PHE A 144 1.548 14.600 -5.808 1.00 0.00 H new ATOM 0 HA PHE A 144 3.872 13.050 -5.125 1.00 0.00 H new ATOM 0 HB2 PHE A 144 1.091 12.081 -4.577 1.00 0.00 H new ATOM 0 HB3 PHE A 144 2.498 12.073 -3.533 1.00 0.00 H new ATOM 0 HD1 PHE A 144 3.329 14.821 -3.320 1.00 0.00 H new ATOM 0 HD2 PHE A 144 -0.617 13.240 -3.580 1.00 0.00 H new ATOM 0 HE1 PHE A 144 2.460 16.803 -2.157 1.00 0.00 H new ATOM 0 HE2 PHE A 144 -1.491 15.216 -2.415 1.00 0.00 H new ATOM 0 HZ PHE A 144 0.046 17.005 -1.703 1.00 0.00 H new ATOM 275 N ALA A 145 2.108 12.158 -7.621 1.00 0.00 N ATOM 276 CA ALA A 145 1.896 11.150 -8.655 1.00 0.00 C ATOM 277 C ALA A 145 3.210 10.656 -9.267 1.00 0.00 C ATOM 278 O ALA A 145 3.291 10.422 -10.474 1.00 0.00 O ATOM 279 CB ALA A 145 0.984 11.697 -9.742 1.00 0.00 C ATOM 0 H ALA A 145 1.779 13.091 -7.868 1.00 0.00 H new ATOM 0 HA ALA A 145 1.421 10.293 -8.177 1.00 0.00 H new ATOM 0 HB1 ALA A 145 0.833 10.936 -10.508 1.00 0.00 H new ATOM 0 HB2 ALA A 145 0.022 11.970 -9.307 1.00 0.00 H new ATOM 0 HB3 ALA A 145 1.442 12.578 -10.192 1.00 0.00 H new ATOM 285 N ASP A 146 4.229 10.482 -8.433 1.00 0.00 N ATOM 286 CA ASP A 146 5.523 9.998 -8.892 1.00 0.00 C ATOM 287 C ASP A 146 6.334 9.451 -7.725 1.00 0.00 C ATOM 288 O ASP A 146 7.563 9.520 -7.717 1.00 0.00 O ATOM 289 CB ASP A 146 6.295 11.115 -9.602 1.00 0.00 C ATOM 290 CG ASP A 146 6.499 10.827 -11.075 1.00 0.00 C ATOM 291 OD1 ASP A 146 5.636 10.153 -11.674 1.00 0.00 O ATOM 292 OD2 ASP A 146 7.524 11.276 -11.632 1.00 0.00 O ATOM 0 H ASP A 146 4.182 10.670 -7.432 1.00 0.00 H new ATOM 0 HA ASP A 146 5.353 9.190 -9.603 1.00 0.00 H new ATOM 0 HB2 ASP A 146 5.755 12.055 -9.489 1.00 0.00 H new ATOM 0 HB3 ASP A 146 7.265 11.245 -9.122 1.00 0.00 H new ATOM 297 N PHE A 147 5.631 8.908 -6.741 1.00 0.00 N ATOM 298 CA PHE A 147 6.268 8.344 -5.557 1.00 0.00 C ATOM 299 C PHE A 147 5.449 7.186 -5.003 1.00 0.00 C ATOM 300 O PHE A 147 4.236 7.119 -5.206 1.00 0.00 O ATOM 301 CB PHE A 147 6.439 9.418 -4.479 1.00 0.00 C ATOM 302 CG PHE A 147 7.143 10.656 -4.961 1.00 0.00 C ATOM 303 CD1 PHE A 147 8.458 10.597 -5.395 1.00 0.00 C ATOM 304 CD2 PHE A 147 6.490 11.878 -4.979 1.00 0.00 C ATOM 305 CE1 PHE A 147 9.107 11.733 -5.838 1.00 0.00 C ATOM 306 CE2 PHE A 147 7.135 13.018 -5.420 1.00 0.00 C ATOM 307 CZ PHE A 147 8.445 12.944 -5.851 1.00 0.00 C ATOM 0 H PHE A 147 4.613 8.846 -6.739 1.00 0.00 H new ATOM 0 HA PHE A 147 7.250 7.971 -5.848 1.00 0.00 H new ATOM 0 HB2 PHE A 147 5.457 9.696 -4.097 1.00 0.00 H new ATOM 0 HB3 PHE A 147 6.998 8.995 -3.644 1.00 0.00 H new ATOM 0 HD1 PHE A 147 8.981 9.652 -5.387 1.00 0.00 H new ATOM 0 HD2 PHE A 147 5.465 11.940 -4.644 1.00 0.00 H new ATOM 0 HE1 PHE A 147 10.132 11.674 -6.174 1.00 0.00 H new ATOM 0 HE2 PHE A 147 6.616 13.965 -5.428 1.00 0.00 H new ATOM 0 HZ PHE A 147 8.951 13.833 -6.198 1.00 0.00 H new ATOM 317 N THR A 148 6.113 6.277 -4.300 1.00 0.00 N ATOM 318 CA THR A 148 5.442 5.124 -3.716 1.00 0.00 C ATOM 319 C THR A 148 5.360 5.254 -2.198 1.00 0.00 C ATOM 320 O THR A 148 6.337 5.616 -1.543 1.00 0.00 O ATOM 321 CB THR A 148 6.174 3.834 -4.089 1.00 0.00 C ATOM 322 OG1 THR A 148 7.474 3.815 -3.527 1.00 0.00 O ATOM 323 CG2 THR A 148 6.317 3.639 -5.583 1.00 0.00 C ATOM 0 H THR A 148 7.116 6.317 -4.121 1.00 0.00 H new ATOM 0 HA THR A 148 4.429 5.086 -4.116 1.00 0.00 H new ATOM 0 HB THR A 148 5.560 3.027 -3.690 1.00 0.00 H new ATOM 0 HG1 THR A 148 7.926 2.981 -3.775 1.00 0.00 H new ATOM 0 HG21 THR A 148 6.845 2.706 -5.779 1.00 0.00 H new ATOM 0 HG22 THR A 148 5.329 3.600 -6.041 1.00 0.00 H new ATOM 0 HG23 THR A 148 6.881 4.471 -6.006 1.00 0.00 H new ATOM 331 N GLY A 149 4.188 4.959 -1.646 1.00 0.00 N ATOM 332 CA GLY A 149 4.000 5.051 -0.212 1.00 0.00 C ATOM 333 C GLY A 149 4.227 3.727 0.491 1.00 0.00 C ATOM 334 O GLY A 149 4.185 2.669 -0.136 1.00 0.00 O ATOM 0 H GLY A 149 3.365 4.658 -2.168 1.00 0.00 H new ATOM 0 HA2 GLY A 149 4.685 5.796 0.194 1.00 0.00 H new ATOM 0 HA3 GLY A 149 2.989 5.400 -0.003 1.00 0.00 H new ATOM 338 N THR A 150 4.467 3.789 1.796 1.00 0.00 N ATOM 339 CA THR A 150 4.703 2.587 2.589 1.00 0.00 C ATOM 340 C THR A 150 3.459 2.214 3.388 1.00 0.00 C ATOM 341 O THR A 150 3.153 2.837 4.403 1.00 0.00 O ATOM 342 CB THR A 150 5.884 2.802 3.535 1.00 0.00 C ATOM 343 OG1 THR A 150 6.963 3.424 2.859 1.00 0.00 O ATOM 344 CG2 THR A 150 6.404 1.516 4.144 1.00 0.00 C ATOM 0 H THR A 150 4.503 4.659 2.328 1.00 0.00 H new ATOM 0 HA THR A 150 4.936 1.769 1.908 1.00 0.00 H new ATOM 0 HB THR A 150 5.502 3.436 4.335 1.00 0.00 H new ATOM 0 HG1 THR A 150 7.708 3.554 3.482 1.00 0.00 H new ATOM 0 HG21 THR A 150 7.242 1.739 4.805 1.00 0.00 H new ATOM 0 HG22 THR A 150 5.609 1.036 4.715 1.00 0.00 H new ATOM 0 HG23 THR A 150 6.736 0.846 3.351 1.00 0.00 H new ATOM 352 N VAL A 151 2.748 1.193 2.921 1.00 0.00 N ATOM 353 CA VAL A 151 1.536 0.736 3.593 1.00 0.00 C ATOM 354 C VAL A 151 1.847 0.239 5.001 1.00 0.00 C ATOM 355 O VAL A 151 2.431 -0.831 5.177 1.00 0.00 O ATOM 356 CB VAL A 151 0.843 -0.391 2.803 1.00 0.00 C ATOM 357 CG1 VAL A 151 -0.489 -0.752 3.443 1.00 0.00 C ATOM 358 CG2 VAL A 151 0.649 0.014 1.349 1.00 0.00 C ATOM 0 H VAL A 151 2.989 0.667 2.081 1.00 0.00 H new ATOM 0 HA VAL A 151 0.863 1.592 3.651 1.00 0.00 H new ATOM 0 HB VAL A 151 1.484 -1.272 2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -0.963 -1.549 2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -0.322 -1.089 4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -1.138 0.124 3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 151 0.158 -0.795 0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 151 0.031 0.910 1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 151 1.619 0.217 0.895 1.00 0.00 H new ATOM 368 N THR A 152 1.449 1.019 6.000 1.00 0.00 N ATOM 369 CA THR A 152 1.683 0.656 7.393 1.00 0.00 C ATOM 370 C THR A 152 0.531 -0.183 7.936 1.00 0.00 C ATOM 371 O THR A 152 0.745 -1.239 8.530 1.00 0.00 O ATOM 372 CB THR A 152 1.859 1.914 8.245 1.00 0.00 C ATOM 373 OG1 THR A 152 1.096 2.986 7.721 1.00 0.00 O ATOM 374 CG2 THR A 152 3.297 2.377 8.339 1.00 0.00 C ATOM 0 H THR A 152 0.963 1.906 5.871 1.00 0.00 H new ATOM 0 HA THR A 152 2.596 0.062 7.441 1.00 0.00 H new ATOM 0 HB THR A 152 1.517 1.637 9.242 1.00 0.00 H new ATOM 0 HG1 THR A 152 1.582 3.400 6.977 1.00 0.00 H new ATOM 0 HG21 THR A 152 3.351 3.273 8.957 1.00 0.00 H new ATOM 0 HG22 THR A 152 3.904 1.590 8.787 1.00 0.00 H new ATOM 0 HG23 THR A 152 3.673 2.602 7.341 1.00 0.00 H new ATOM 382 N GLU A 153 -0.693 0.293 7.723 1.00 0.00 N ATOM 383 CA GLU A 153 -1.879 -0.414 8.190 1.00 0.00 C ATOM 384 C GLU A 153 -2.951 -0.444 7.105 1.00 0.00 C ATOM 385 O GLU A 153 -2.826 0.218 6.075 1.00 0.00 O ATOM 386 CB GLU A 153 -2.432 0.250 9.452 1.00 0.00 C ATOM 387 CG GLU A 153 -2.745 1.726 9.276 1.00 0.00 C ATOM 388 CD GLU A 153 -3.352 2.344 10.520 1.00 0.00 C ATOM 389 OE1 GLU A 153 -2.586 2.713 11.435 1.00 0.00 O ATOM 390 OE2 GLU A 153 -4.594 2.459 10.579 1.00 0.00 O ATOM 0 H GLU A 153 -0.888 1.165 7.230 1.00 0.00 H new ATOM 0 HA GLU A 153 -1.593 -1.439 8.425 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -3.339 -0.271 9.759 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -1.709 0.134 10.260 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -1.830 2.260 9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -3.433 1.851 8.440 1.00 0.00 H new ATOM 397 N ILE A 154 -4.006 -1.217 7.343 1.00 0.00 N ATOM 398 CA ILE A 154 -5.098 -1.334 6.385 1.00 0.00 C ATOM 399 C ILE A 154 -6.452 -1.306 7.087 1.00 0.00 C ATOM 400 O ILE A 154 -6.549 -1.583 8.282 1.00 0.00 O ATOM 401 CB ILE A 154 -4.989 -2.632 5.562 1.00 0.00 C ATOM 402 CG1 ILE A 154 -4.736 -3.830 6.482 1.00 0.00 C ATOM 403 CG2 ILE A 154 -3.883 -2.507 4.523 1.00 0.00 C ATOM 404 CD1 ILE A 154 -5.714 -4.966 6.275 1.00 0.00 C ATOM 0 H ILE A 154 -4.127 -1.771 8.191 1.00 0.00 H new ATOM 0 HA ILE A 154 -5.020 -0.479 5.714 1.00 0.00 H new ATOM 0 HB ILE A 154 -5.933 -2.796 5.042 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -3.723 -4.198 6.316 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -4.789 -3.499 7.519 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -3.817 -3.431 3.949 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -4.106 -1.678 3.852 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -2.933 -2.322 5.024 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -5.476 -5.780 6.959 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -6.727 -4.614 6.469 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -5.645 -5.323 5.248 1.00 0.00 H new ATOM 416 N ASN A 155 -7.496 -0.970 6.336 1.00 0.00 N ATOM 417 CA ASN A 155 -8.845 -0.906 6.884 1.00 0.00 C ATOM 418 C ASN A 155 -9.864 -1.448 5.883 1.00 0.00 C ATOM 419 O ASN A 155 -10.489 -0.687 5.147 1.00 0.00 O ATOM 420 CB ASN A 155 -9.197 0.535 7.264 1.00 0.00 C ATOM 421 CG ASN A 155 -9.437 0.700 8.751 1.00 0.00 C ATOM 422 OD1 ASN A 155 -8.575 0.376 9.571 1.00 0.00 O ATOM 423 ND2 ASN A 155 -10.612 1.203 9.109 1.00 0.00 N ATOM 0 H ASN A 155 -7.433 -0.738 5.345 1.00 0.00 H new ATOM 0 HA ASN A 155 -8.878 -1.526 7.780 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -8.389 1.197 6.954 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -10.089 0.844 6.719 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -10.831 1.335 10.096 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -11.296 1.458 8.397 1.00 0.00 H new ATOM 430 N PRO A 156 -10.043 -2.781 5.844 1.00 0.00 N ATOM 431 CA PRO A 156 -10.990 -3.422 4.928 1.00 0.00 C ATOM 432 C PRO A 156 -12.441 -3.154 5.313 1.00 0.00 C ATOM 433 O PRO A 156 -13.332 -3.163 4.463 1.00 0.00 O ATOM 434 CB PRO A 156 -10.667 -4.911 5.068 1.00 0.00 C ATOM 435 CG PRO A 156 -10.082 -5.044 6.430 1.00 0.00 C ATOM 436 CD PRO A 156 -9.337 -3.763 6.688 1.00 0.00 C ATOM 0 HA PRO A 156 -10.891 -3.044 3.910 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -11.563 -5.522 4.960 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -9.964 -5.238 4.301 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -10.861 -5.199 7.176 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -9.413 -5.903 6.485 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -9.369 -3.484 7.741 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -8.286 -3.847 6.413 1.00 0.00 H new ATOM 444 N GLU A 157 -12.672 -2.916 6.600 1.00 0.00 N ATOM 445 CA GLU A 157 -14.015 -2.645 7.099 1.00 0.00 C ATOM 446 C GLU A 157 -14.612 -1.416 6.416 1.00 0.00 C ATOM 447 O GLU A 157 -15.785 -1.410 6.044 1.00 0.00 O ATOM 448 CB GLU A 157 -13.987 -2.437 8.614 1.00 0.00 C ATOM 449 CG GLU A 157 -13.030 -1.345 9.060 1.00 0.00 C ATOM 450 CD GLU A 157 -13.064 -1.117 10.559 1.00 0.00 C ATOM 451 OE1 GLU A 157 -14.147 -1.276 11.160 1.00 0.00 O ATOM 452 OE2 GLU A 157 -12.007 -0.781 11.132 1.00 0.00 O ATOM 0 H GLU A 157 -11.946 -2.905 7.316 1.00 0.00 H new ATOM 0 HA GLU A 157 -14.641 -3.507 6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -14.992 -2.190 8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -13.706 -3.374 9.096 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -12.016 -1.610 8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -13.281 -0.416 8.549 1.00 0.00 H new ATOM 459 N ARG A 158 -13.794 -0.380 6.257 1.00 0.00 N ATOM 460 CA ARG A 158 -14.241 0.854 5.619 1.00 0.00 C ATOM 461 C ARG A 158 -13.710 0.952 4.194 1.00 0.00 C ATOM 462 O ARG A 158 -14.480 1.025 3.236 1.00 0.00 O ATOM 463 CB ARG A 158 -13.785 2.067 6.434 1.00 0.00 C ATOM 464 CG ARG A 158 -14.857 2.614 7.363 1.00 0.00 C ATOM 465 CD ARG A 158 -14.628 2.176 8.800 1.00 0.00 C ATOM 466 NE ARG A 158 -15.479 2.904 9.738 1.00 0.00 N ATOM 467 CZ ARG A 158 -15.258 2.963 11.049 1.00 0.00 C ATOM 468 NH1 ARG A 158 -14.215 2.339 11.582 1.00 0.00 N ATOM 469 NH2 ARG A 158 -16.083 3.648 11.829 1.00 0.00 N ATOM 0 H ARG A 158 -12.820 -0.370 6.560 1.00 0.00 H new ATOM 0 HA ARG A 158 -15.330 0.841 5.580 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -12.911 1.790 7.024 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -13.471 2.856 5.751 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -14.864 3.703 7.311 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -15.837 2.273 7.030 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -14.823 1.107 8.888 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -13.582 2.332 9.064 1.00 0.00 H new ATOM 0 HE ARG A 158 -16.291 3.396 9.366 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -13.578 1.811 10.986 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -14.051 2.388 12.587 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -16.886 4.129 11.424 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -15.915 3.694 12.834 1.00 0.00 H new ATOM 483 N GLY A 159 -12.387 0.953 4.059 1.00 0.00 N ATOM 484 CA GLY A 159 -11.776 1.043 2.746 1.00 0.00 C ATOM 485 C GLY A 159 -10.705 2.113 2.677 1.00 0.00 C ATOM 486 O GLY A 159 -10.706 2.942 1.766 1.00 0.00 O ATOM 0 H GLY A 159 -11.728 0.893 4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.339 0.079 2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -12.546 1.256 2.004 1.00 0.00 H new ATOM 490 N LYS A 160 -9.790 2.097 3.639 1.00 0.00 N ATOM 491 CA LYS A 160 -8.709 3.073 3.682 1.00 0.00 C ATOM 492 C LYS A 160 -7.361 2.385 3.873 1.00 0.00 C ATOM 493 O LYS A 160 -7.296 1.232 4.300 1.00 0.00 O ATOM 494 CB LYS A 160 -8.946 4.079 4.812 1.00 0.00 C ATOM 495 CG LYS A 160 -10.139 4.990 4.573 1.00 0.00 C ATOM 496 CD LYS A 160 -10.050 6.254 5.411 1.00 0.00 C ATOM 497 CE LYS A 160 -11.411 6.660 5.955 1.00 0.00 C ATOM 498 NZ LYS A 160 -12.036 7.739 5.139 1.00 0.00 N ATOM 0 H LYS A 160 -9.776 1.418 4.400 1.00 0.00 H new ATOM 0 HA LYS A 160 -8.694 3.603 2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -9.095 3.536 5.746 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -8.052 4.690 4.937 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -10.190 5.255 3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -11.059 4.457 4.813 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -9.359 6.095 6.239 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -9.642 7.064 4.807 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -12.069 5.791 5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -11.304 7.000 6.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -12.962 7.987 5.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -11.421 8.577 5.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -12.162 7.406 4.162 1.00 0.00 H new ATOM 512 N VAL A 161 -6.287 3.097 3.550 1.00 0.00 N ATOM 513 CA VAL A 161 -4.941 2.556 3.684 1.00 0.00 C ATOM 514 C VAL A 161 -3.941 3.649 4.042 1.00 0.00 C ATOM 515 O VAL A 161 -3.825 4.653 3.340 1.00 0.00 O ATOM 516 CB VAL A 161 -4.481 1.864 2.387 1.00 0.00 C ATOM 517 CG1 VAL A 161 -5.280 0.592 2.148 1.00 0.00 C ATOM 518 CG2 VAL A 161 -4.607 2.811 1.203 1.00 0.00 C ATOM 0 H VAL A 161 -6.323 4.052 3.193 1.00 0.00 H new ATOM 0 HA VAL A 161 -4.976 1.821 4.488 1.00 0.00 H new ATOM 0 HB VAL A 161 -3.431 1.591 2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -4.941 0.117 1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -5.134 -0.092 2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -6.338 0.838 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -4.278 2.305 0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -5.647 3.117 1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -3.987 3.691 1.373 1.00 0.00 H new ATOM 528 N LYS A 162 -3.220 3.449 5.140 1.00 0.00 N ATOM 529 CA LYS A 162 -2.229 4.420 5.590 1.00 0.00 C ATOM 530 C LYS A 162 -0.878 4.162 4.933 1.00 0.00 C ATOM 531 O LYS A 162 -0.327 3.065 5.031 1.00 0.00 O ATOM 532 CB LYS A 162 -2.086 4.369 7.111 1.00 0.00 C ATOM 533 CG LYS A 162 -1.093 5.381 7.659 1.00 0.00 C ATOM 534 CD LYS A 162 -0.779 5.123 9.126 1.00 0.00 C ATOM 535 CE LYS A 162 -1.059 6.350 9.981 1.00 0.00 C ATOM 536 NZ LYS A 162 -0.357 6.282 11.293 1.00 0.00 N ATOM 0 H LYS A 162 -3.303 2.624 5.734 1.00 0.00 H new ATOM 0 HA LYS A 162 -2.572 5.412 5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -3.061 4.545 7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -1.772 3.367 7.406 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -0.172 5.340 7.077 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -1.498 6.387 7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -1.376 4.284 9.485 1.00 0.00 H new ATOM 0 HD3 LYS A 162 0.268 4.837 9.230 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -0.743 7.246 9.446 1.00 0.00 H new ATOM 0 HE3 LYS A 162 -2.132 6.440 10.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 -0.573 7.136 11.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 -0.677 5.441 11.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 0.669 6.222 11.135 1.00 0.00 H new ATOM 550 N VAL A 163 -0.347 5.180 4.262 1.00 0.00 N ATOM 551 CA VAL A 163 0.940 5.062 3.590 1.00 0.00 C ATOM 552 C VAL A 163 1.742 6.353 3.713 1.00 0.00 C ATOM 553 O VAL A 163 1.207 7.447 3.537 1.00 0.00 O ATOM 554 CB VAL A 163 0.767 4.717 2.099 1.00 0.00 C ATOM 555 CG1 VAL A 163 0.267 3.291 1.934 1.00 0.00 C ATOM 556 CG2 VAL A 163 -0.178 5.705 1.429 1.00 0.00 C ATOM 0 H VAL A 163 -0.789 6.095 4.170 1.00 0.00 H new ATOM 0 HA VAL A 163 1.481 4.252 4.080 1.00 0.00 H new ATOM 0 HB VAL A 163 1.739 4.793 1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 163 0.151 3.066 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 163 0.986 2.600 2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -0.695 3.182 2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -0.288 5.446 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -1.152 5.665 1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.229 6.713 1.514 1.00 0.00 H new ATOM 566 N MET A 164 3.030 6.220 4.013 1.00 0.00 N ATOM 567 CA MET A 164 3.901 7.380 4.158 1.00 0.00 C ATOM 568 C MET A 164 4.355 7.889 2.792 1.00 0.00 C ATOM 569 O MET A 164 4.819 7.117 1.954 1.00 0.00 O ATOM 570 CB MET A 164 5.114 7.035 5.024 1.00 0.00 C ATOM 571 CG MET A 164 6.063 6.030 4.386 1.00 0.00 C ATOM 572 SD MET A 164 7.714 6.703 4.112 1.00 0.00 S ATOM 573 CE MET A 164 7.351 8.063 3.006 1.00 0.00 C ATOM 0 H MET A 164 3.492 5.323 4.160 1.00 0.00 H new ATOM 0 HA MET A 164 3.335 8.171 4.650 1.00 0.00 H new ATOM 0 HB2 MET A 164 5.664 7.950 5.243 1.00 0.00 H new ATOM 0 HB3 MET A 164 4.766 6.637 5.977 1.00 0.00 H new ATOM 0 HG2 MET A 164 6.136 5.150 5.025 1.00 0.00 H new ATOM 0 HG3 MET A 164 5.648 5.699 3.434 1.00 0.00 H new ATOM 0 HE1 MET A 164 8.223 8.712 2.929 1.00 0.00 H new ATOM 0 HE2 MET A 164 7.100 7.673 2.020 1.00 0.00 H new ATOM 0 HE3 MET A 164 6.508 8.634 3.395 1.00 0.00 H new ATOM 583 N VAL A 165 4.214 9.192 2.574 1.00 0.00 N ATOM 584 CA VAL A 165 4.608 9.801 1.309 1.00 0.00 C ATOM 585 C VAL A 165 5.838 10.684 1.481 1.00 0.00 C ATOM 586 O VAL A 165 5.896 11.519 2.383 1.00 0.00 O ATOM 587 CB VAL A 165 3.465 10.643 0.712 1.00 0.00 C ATOM 588 CG1 VAL A 165 2.339 9.748 0.219 1.00 0.00 C ATOM 589 CG2 VAL A 165 2.950 11.648 1.732 1.00 0.00 C ATOM 0 H VAL A 165 3.830 9.846 3.256 1.00 0.00 H new ATOM 0 HA VAL A 165 4.844 8.985 0.626 1.00 0.00 H new ATOM 0 HB VAL A 165 3.857 11.196 -0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 165 1.542 10.363 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 165 2.719 9.075 -0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 165 1.948 9.163 1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 165 2.143 12.233 1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 165 2.577 11.118 2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 165 3.761 12.314 2.028 1.00 0.00 H new ATOM 599 N THR A 166 6.822 10.494 0.607 1.00 0.00 N ATOM 600 CA THR A 166 8.053 11.274 0.661 1.00 0.00 C ATOM 601 C THR A 166 8.002 12.436 -0.326 1.00 0.00 C ATOM 602 O THR A 166 8.226 12.258 -1.523 1.00 0.00 O ATOM 603 CB THR A 166 9.259 10.385 0.356 1.00 0.00 C ATOM 604 OG1 THR A 166 9.012 9.049 0.755 1.00 0.00 O ATOM 605 CG2 THR A 166 10.528 10.843 1.040 1.00 0.00 C ATOM 0 H THR A 166 6.790 9.807 -0.146 1.00 0.00 H new ATOM 0 HA THR A 166 8.154 11.678 1.668 1.00 0.00 H new ATOM 0 HB THR A 166 9.403 10.453 -0.722 1.00 0.00 H new ATOM 0 HG1 THR A 166 9.795 8.496 0.550 1.00 0.00 H new ATOM 0 HG21 THR A 166 11.344 10.169 0.781 1.00 0.00 H new ATOM 0 HG22 THR A 166 10.774 11.853 0.712 1.00 0.00 H new ATOM 0 HG23 THR A 166 10.381 10.838 2.120 1.00 0.00 H new ATOM 613 N ILE A 167 7.708 13.627 0.186 1.00 0.00 N ATOM 614 CA ILE A 167 7.630 14.818 -0.650 1.00 0.00 C ATOM 615 C ILE A 167 8.948 15.589 -0.633 1.00 0.00 C ATOM 616 O ILE A 167 9.326 16.170 0.384 1.00 0.00 O ATOM 617 CB ILE A 167 6.486 15.749 -0.194 1.00 0.00 C ATOM 618 CG1 ILE A 167 6.329 16.916 -1.171 1.00 0.00 C ATOM 619 CG2 ILE A 167 6.741 16.257 1.219 1.00 0.00 C ATOM 620 CD1 ILE A 167 5.282 17.927 -0.749 1.00 0.00 C ATOM 0 H ILE A 167 7.520 13.792 1.175 1.00 0.00 H new ATOM 0 HA ILE A 167 7.427 14.482 -1.667 1.00 0.00 H new ATOM 0 HB ILE A 167 5.556 15.180 -0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 167 7.289 17.422 -1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 167 6.067 16.523 -2.153 1.00 0.00 H new ATOM 0 HG21 ILE A 167 5.924 16.912 1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 167 6.803 15.411 1.904 1.00 0.00 H new ATOM 0 HG23 ILE A 167 7.679 16.812 1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 167 5.227 18.725 -1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 167 4.312 17.436 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 167 5.553 18.349 0.219 1.00 0.00 H new ATOM 632 N PHE A 168 9.643 15.587 -1.766 1.00 0.00 N ATOM 633 CA PHE A 168 10.920 16.284 -1.881 1.00 0.00 C ATOM 634 C PHE A 168 11.938 15.723 -0.891 1.00 0.00 C ATOM 635 O PHE A 168 12.662 16.474 -0.237 1.00 0.00 O ATOM 636 CB PHE A 168 10.733 17.782 -1.644 1.00 0.00 C ATOM 637 CG PHE A 168 11.589 18.643 -2.530 1.00 0.00 C ATOM 638 CD1 PHE A 168 12.966 18.672 -2.367 1.00 0.00 C ATOM 639 CD2 PHE A 168 11.020 19.420 -3.526 1.00 0.00 C ATOM 640 CE1 PHE A 168 13.757 19.460 -3.180 1.00 0.00 C ATOM 641 CE2 PHE A 168 11.806 20.212 -4.341 1.00 0.00 C ATOM 642 CZ PHE A 168 13.177 20.232 -4.168 1.00 0.00 C ATOM 0 H PHE A 168 9.344 15.111 -2.617 1.00 0.00 H new ATOM 0 HA PHE A 168 11.299 16.129 -2.891 1.00 0.00 H new ATOM 0 HB2 PHE A 168 9.686 18.039 -1.804 1.00 0.00 H new ATOM 0 HB3 PHE A 168 10.961 18.008 -0.602 1.00 0.00 H new ATOM 0 HD1 PHE A 168 13.425 18.072 -1.596 1.00 0.00 H new ATOM 0 HD2 PHE A 168 9.949 19.406 -3.667 1.00 0.00 H new ATOM 0 HE1 PHE A 168 14.828 19.473 -3.043 1.00 0.00 H new ATOM 0 HE2 PHE A 168 11.350 20.815 -5.112 1.00 0.00 H new ATOM 0 HZ PHE A 168 13.794 20.850 -4.804 1.00 0.00 H new ATOM 652 N GLY A 169 11.988 14.399 -0.786 1.00 0.00 N ATOM 653 CA GLY A 169 12.921 13.762 0.124 1.00 0.00 C ATOM 654 C GLY A 169 12.614 14.069 1.578 1.00 0.00 C ATOM 655 O GLY A 169 13.490 14.504 2.326 1.00 0.00 O ATOM 0 H GLY A 169 11.399 13.756 -1.315 1.00 0.00 H new ATOM 0 HA2 GLY A 169 12.895 12.683 -0.030 1.00 0.00 H new ATOM 0 HA3 GLY A 169 13.933 14.093 -0.108 1.00 0.00 H new ATOM 659 N ARG A 170 11.369 13.840 1.978 1.00 0.00 N ATOM 660 CA ARG A 170 10.949 14.094 3.352 1.00 0.00 C ATOM 661 C ARG A 170 9.765 13.211 3.729 1.00 0.00 C ATOM 662 O ARG A 170 8.701 13.285 3.116 1.00 0.00 O ATOM 663 CB ARG A 170 10.579 15.568 3.530 1.00 0.00 C ATOM 664 CG ARG A 170 10.793 16.083 4.944 1.00 0.00 C ATOM 665 CD ARG A 170 11.402 17.476 4.946 1.00 0.00 C ATOM 666 NE ARG A 170 12.392 17.639 6.008 1.00 0.00 N ATOM 667 CZ ARG A 170 12.947 18.804 6.332 1.00 0.00 C ATOM 668 NH1 ARG A 170 12.613 19.910 5.677 1.00 0.00 N ATOM 669 NH2 ARG A 170 13.838 18.865 7.311 1.00 0.00 N ATOM 0 H ARG A 170 10.633 13.479 1.371 1.00 0.00 H new ATOM 0 HA ARG A 170 11.783 13.854 4.012 1.00 0.00 H new ATOM 0 HB2 ARG A 170 11.172 16.169 2.840 1.00 0.00 H new ATOM 0 HB3 ARG A 170 9.533 15.707 3.256 1.00 0.00 H new ATOM 0 HG2 ARG A 170 9.840 16.101 5.473 1.00 0.00 H new ATOM 0 HG3 ARG A 170 11.446 15.399 5.486 1.00 0.00 H new ATOM 0 HD2 ARG A 170 11.871 17.668 3.981 1.00 0.00 H new ATOM 0 HD3 ARG A 170 10.612 18.217 5.070 1.00 0.00 H new ATOM 0 HE ARG A 170 12.674 16.811 6.532 1.00 0.00 H new ATOM 0 HH11 ARG A 170 11.928 19.869 4.922 1.00 0.00 H new ATOM 0 HH12 ARG A 170 13.041 20.801 5.929 1.00 0.00 H new ATOM 0 HH21 ARG A 170 14.099 18.018 7.817 1.00 0.00 H new ATOM 0 HH22 ARG A 170 14.263 19.758 7.559 1.00 0.00 H new ATOM 683 N GLU A 171 9.960 12.373 4.743 1.00 0.00 N ATOM 684 CA GLU A 171 8.908 11.474 5.204 1.00 0.00 C ATOM 685 C GLU A 171 7.674 12.258 5.642 1.00 0.00 C ATOM 686 O GLU A 171 7.781 13.251 6.360 1.00 0.00 O ATOM 687 CB GLU A 171 9.416 10.610 6.359 1.00 0.00 C ATOM 688 CG GLU A 171 10.020 11.413 7.499 1.00 0.00 C ATOM 689 CD GLU A 171 9.845 10.736 8.845 1.00 0.00 C ATOM 690 OE1 GLU A 171 8.895 9.939 8.989 1.00 0.00 O ATOM 691 OE2 GLU A 171 10.659 11.003 9.754 1.00 0.00 O ATOM 0 H GLU A 171 10.836 12.298 5.260 1.00 0.00 H new ATOM 0 HA GLU A 171 8.628 10.827 4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 171 8.591 10.012 6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 171 10.164 9.914 5.979 1.00 0.00 H new ATOM 0 HG2 GLU A 171 11.082 11.565 7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 171 9.557 12.399 7.529 1.00 0.00 H new ATOM 698 N THR A 172 6.505 11.803 5.203 1.00 0.00 N ATOM 699 CA THR A 172 5.250 12.461 5.549 1.00 0.00 C ATOM 700 C THR A 172 4.113 11.445 5.652 1.00 0.00 C ATOM 701 O THR A 172 3.516 11.069 4.642 1.00 0.00 O ATOM 702 CB THR A 172 4.905 13.523 4.502 1.00 0.00 C ATOM 703 OG1 THR A 172 6.072 13.965 3.833 1.00 0.00 O ATOM 704 CG2 THR A 172 4.221 14.740 5.087 1.00 0.00 C ATOM 0 H THR A 172 6.400 10.982 4.607 1.00 0.00 H new ATOM 0 HA THR A 172 5.374 12.941 6.520 1.00 0.00 H new ATOM 0 HB THR A 172 4.216 13.036 3.812 1.00 0.00 H new ATOM 0 HG1 THR A 172 6.345 13.293 3.174 1.00 0.00 H new ATOM 0 HG21 THR A 172 4.004 15.453 4.292 1.00 0.00 H new ATOM 0 HG22 THR A 172 3.290 14.438 5.567 1.00 0.00 H new ATOM 0 HG23 THR A 172 4.875 15.206 5.824 1.00 0.00 H new ATOM 712 N PRO A 173 3.797 10.982 6.875 1.00 0.00 N ATOM 713 CA PRO A 173 2.725 10.005 7.094 1.00 0.00 C ATOM 714 C PRO A 173 1.351 10.572 6.754 1.00 0.00 C ATOM 715 O PRO A 173 0.900 11.541 7.365 1.00 0.00 O ATOM 716 CB PRO A 173 2.820 9.690 8.590 1.00 0.00 C ATOM 717 CG PRO A 173 3.505 10.869 9.187 1.00 0.00 C ATOM 718 CD PRO A 173 4.452 11.374 8.136 1.00 0.00 C ATOM 0 HA PRO A 173 2.839 9.128 6.457 1.00 0.00 H new ATOM 0 HB2 PRO A 173 1.832 9.544 9.027 1.00 0.00 H new ATOM 0 HB3 PRO A 173 3.384 8.774 8.766 1.00 0.00 H new ATOM 0 HG2 PRO A 173 2.785 11.639 9.466 1.00 0.00 H new ATOM 0 HG3 PRO A 173 4.041 10.591 10.094 1.00 0.00 H new ATOM 0 HD2 PRO A 173 4.587 12.454 8.201 1.00 0.00 H new ATOM 0 HD3 PRO A 173 5.440 10.923 8.234 1.00 0.00 H new ATOM 726 N VAL A 174 0.691 9.964 5.774 1.00 0.00 N ATOM 727 CA VAL A 174 -0.631 10.411 5.351 1.00 0.00 C ATOM 728 C VAL A 174 -1.495 9.232 4.912 1.00 0.00 C ATOM 729 O VAL A 174 -1.001 8.274 4.319 1.00 0.00 O ATOM 730 CB VAL A 174 -0.533 11.425 4.196 1.00 0.00 C ATOM 731 CG1 VAL A 174 0.142 10.798 2.985 1.00 0.00 C ATOM 732 CG2 VAL A 174 -1.910 11.959 3.829 1.00 0.00 C ATOM 0 H VAL A 174 1.050 9.161 5.258 1.00 0.00 H new ATOM 0 HA VAL A 174 -1.096 10.895 6.210 1.00 0.00 H new ATOM 0 HB VAL A 174 0.078 12.263 4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 174 0.201 11.532 2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 174 1.147 10.475 3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 174 -0.438 9.938 2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 174 -1.817 12.674 3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 174 -2.550 11.133 3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 174 -2.351 12.454 4.694 1.00 0.00 H new ATOM 742 N GLU A 175 -2.790 9.312 5.205 1.00 0.00 N ATOM 743 CA GLU A 175 -3.722 8.253 4.838 1.00 0.00 C ATOM 744 C GLU A 175 -4.120 8.369 3.370 1.00 0.00 C ATOM 745 O GLU A 175 -4.427 9.458 2.884 1.00 0.00 O ATOM 746 CB GLU A 175 -4.968 8.308 5.724 1.00 0.00 C ATOM 747 CG GLU A 175 -5.594 9.691 5.811 1.00 0.00 C ATOM 748 CD GLU A 175 -6.984 9.664 6.414 1.00 0.00 C ATOM 749 OE1 GLU A 175 -7.689 8.650 6.236 1.00 0.00 O ATOM 750 OE2 GLU A 175 -7.367 10.659 7.066 1.00 0.00 O ATOM 0 H GLU A 175 -3.216 10.099 5.695 1.00 0.00 H new ATOM 0 HA GLU A 175 -3.224 7.295 4.988 1.00 0.00 H new ATOM 0 HB2 GLU A 175 -5.708 7.607 5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 175 -4.705 7.974 6.728 1.00 0.00 H new ATOM 0 HG2 GLU A 175 -4.954 10.338 6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 175 -5.643 10.127 4.813 1.00 0.00 H new ATOM 757 N LEU A 176 -4.106 7.242 2.667 1.00 0.00 N ATOM 758 CA LEU A 176 -4.460 7.220 1.252 1.00 0.00 C ATOM 759 C LEU A 176 -5.623 6.285 0.989 1.00 0.00 C ATOM 760 O LEU A 176 -6.231 5.743 1.912 1.00 0.00 O ATOM 761 CB LEU A 176 -3.274 6.753 0.409 1.00 0.00 C ATOM 762 CG LEU A 176 -2.434 7.869 -0.216 1.00 0.00 C ATOM 763 CD1 LEU A 176 -3.317 8.843 -0.985 1.00 0.00 C ATOM 764 CD2 LEU A 176 -1.637 8.597 0.856 1.00 0.00 C ATOM 0 H LEU A 176 -3.854 6.332 3.053 1.00 0.00 H new ATOM 0 HA LEU A 176 -4.741 8.237 0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -2.625 6.139 1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -3.647 6.112 -0.389 1.00 0.00 H new ATOM 0 HG LEU A 176 -1.734 7.419 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -2.699 9.628 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -3.841 8.310 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -4.044 9.289 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -1.045 9.388 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -2.321 9.033 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -0.974 7.892 1.358 1.00 0.00 H new ATOM 776 N ASP A 177 -5.904 6.077 -0.291 1.00 0.00 N ATOM 777 CA ASP A 177 -6.963 5.183 -0.698 1.00 0.00 C ATOM 778 C ASP A 177 -6.643 4.559 -2.051 1.00 0.00 C ATOM 779 O ASP A 177 -5.934 5.145 -2.867 1.00 0.00 O ATOM 780 CB ASP A 177 -8.311 5.908 -0.755 1.00 0.00 C ATOM 781 CG ASP A 177 -8.467 6.945 0.341 1.00 0.00 C ATOM 782 OD1 ASP A 177 -8.558 6.550 1.522 1.00 0.00 O ATOM 783 OD2 ASP A 177 -8.497 8.151 0.017 1.00 0.00 O ATOM 0 H ASP A 177 -5.407 6.521 -1.063 1.00 0.00 H new ATOM 0 HA ASP A 177 -7.036 4.391 0.048 1.00 0.00 H new ATOM 0 HB2 ASP A 177 -8.417 6.393 -1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 177 -9.115 5.177 -0.674 1.00 0.00 H new ATOM 788 N PHE A 178 -7.169 3.362 -2.273 1.00 0.00 N ATOM 789 CA PHE A 178 -6.948 2.634 -3.521 1.00 0.00 C ATOM 790 C PHE A 178 -7.115 3.541 -4.739 1.00 0.00 C ATOM 791 O PHE A 178 -6.289 3.530 -5.650 1.00 0.00 O ATOM 792 CB PHE A 178 -7.912 1.452 -3.621 1.00 0.00 C ATOM 793 CG PHE A 178 -7.411 0.208 -2.942 1.00 0.00 C ATOM 794 CD1 PHE A 178 -6.851 0.271 -1.677 1.00 0.00 C ATOM 795 CD2 PHE A 178 -7.499 -1.023 -3.571 1.00 0.00 C ATOM 796 CE1 PHE A 178 -6.388 -0.871 -1.050 1.00 0.00 C ATOM 797 CE2 PHE A 178 -7.038 -2.170 -2.951 1.00 0.00 C ATOM 798 CZ PHE A 178 -6.483 -2.092 -1.687 1.00 0.00 C ATOM 0 H PHE A 178 -7.757 2.869 -1.601 1.00 0.00 H new ATOM 0 HA PHE A 178 -5.922 2.267 -3.511 1.00 0.00 H new ATOM 0 HB2 PHE A 178 -8.868 1.736 -3.182 1.00 0.00 H new ATOM 0 HB3 PHE A 178 -8.097 1.233 -4.673 1.00 0.00 H new ATOM 0 HD1 PHE A 178 -6.775 1.224 -1.174 1.00 0.00 H new ATOM 0 HD2 PHE A 178 -7.933 -1.088 -4.558 1.00 0.00 H new ATOM 0 HE1 PHE A 178 -5.953 -0.808 -0.064 1.00 0.00 H new ATOM 0 HE2 PHE A 178 -7.111 -3.124 -3.453 1.00 0.00 H new ATOM 0 HZ PHE A 178 -6.124 -2.986 -1.198 1.00 0.00 H new ATOM 808 N SER A 179 -8.190 4.325 -4.747 1.00 0.00 N ATOM 809 CA SER A 179 -8.460 5.236 -5.855 1.00 0.00 C ATOM 810 C SER A 179 -7.461 6.392 -5.874 1.00 0.00 C ATOM 811 O SER A 179 -7.269 7.041 -6.902 1.00 0.00 O ATOM 812 CB SER A 179 -9.886 5.785 -5.753 1.00 0.00 C ATOM 813 OG SER A 179 -10.328 5.811 -4.407 1.00 0.00 O ATOM 0 H SER A 179 -8.886 4.348 -4.001 1.00 0.00 H new ATOM 0 HA SER A 179 -8.355 4.675 -6.784 1.00 0.00 H new ATOM 0 HB2 SER A 179 -9.922 6.791 -6.170 1.00 0.00 H new ATOM 0 HB3 SER A 179 -10.560 5.169 -6.348 1.00 0.00 H new ATOM 0 HG SER A 179 -11.240 6.167 -4.369 1.00 0.00 H new ATOM 819 N GLN A 180 -6.832 6.645 -4.731 1.00 0.00 N ATOM 820 CA GLN A 180 -5.857 7.724 -4.612 1.00 0.00 C ATOM 821 C GLN A 180 -4.434 7.225 -4.869 1.00 0.00 C ATOM 822 O GLN A 180 -3.503 8.025 -4.987 1.00 0.00 O ATOM 823 CB GLN A 180 -5.946 8.356 -3.221 1.00 0.00 C ATOM 824 CG GLN A 180 -6.579 9.738 -3.221 1.00 0.00 C ATOM 825 CD GLN A 180 -5.760 10.755 -2.450 1.00 0.00 C ATOM 826 OE1 GLN A 180 -4.531 10.764 -2.521 1.00 0.00 O ATOM 827 NE2 GLN A 180 -6.440 11.623 -1.709 1.00 0.00 N ATOM 0 H GLN A 180 -6.980 6.116 -3.872 1.00 0.00 H new ATOM 0 HA GLN A 180 -6.091 8.473 -5.369 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -6.524 7.701 -2.569 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -4.944 8.424 -2.797 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -6.699 10.078 -4.249 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -7.577 9.676 -2.787 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -7.459 11.580 -1.679 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -5.943 12.333 -1.170 1.00 0.00 H new ATOM 836 N VAL A 181 -4.263 5.909 -4.949 1.00 0.00 N ATOM 837 CA VAL A 181 -2.948 5.325 -5.188 1.00 0.00 C ATOM 838 C VAL A 181 -3.027 4.158 -6.166 1.00 0.00 C ATOM 839 O VAL A 181 -4.094 3.852 -6.697 1.00 0.00 O ATOM 840 CB VAL A 181 -2.305 4.842 -3.874 1.00 0.00 C ATOM 841 CG1 VAL A 181 -2.036 6.017 -2.947 1.00 0.00 C ATOM 842 CG2 VAL A 181 -3.194 3.809 -3.193 1.00 0.00 C ATOM 0 H VAL A 181 -5.017 5.228 -4.852 1.00 0.00 H new ATOM 0 HA VAL A 181 -2.328 6.110 -5.622 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.351 4.370 -4.110 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -1.582 5.656 -2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -1.358 6.718 -3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -2.975 6.521 -2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -2.724 3.479 -2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -4.164 4.254 -2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -3.331 2.954 -3.855 1.00 0.00 H new ATOM 852 N VAL A 182 -1.891 3.509 -6.400 1.00 0.00 N ATOM 853 CA VAL A 182 -1.832 2.376 -7.315 1.00 0.00 C ATOM 854 C VAL A 182 -0.739 1.395 -6.902 1.00 0.00 C ATOM 855 O VAL A 182 0.206 1.761 -6.205 1.00 0.00 O ATOM 856 CB VAL A 182 -1.573 2.835 -8.762 1.00 0.00 C ATOM 857 CG1 VAL A 182 -2.798 3.537 -9.328 1.00 0.00 C ATOM 858 CG2 VAL A 182 -0.354 3.740 -8.824 1.00 0.00 C ATOM 0 H VAL A 182 -0.999 3.749 -5.968 1.00 0.00 H new ATOM 0 HA VAL A 182 -2.801 1.880 -7.268 1.00 0.00 H new ATOM 0 HB VAL A 182 -1.374 1.954 -9.373 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.595 3.854 -10.351 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -3.646 2.852 -9.321 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -3.032 4.409 -8.718 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.186 4.054 -9.854 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -0.520 4.618 -8.199 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.520 3.198 -8.463 1.00 0.00 H new ATOM 868 N LYS A 183 -0.878 0.148 -7.338 1.00 0.00 N ATOM 869 CA LYS A 183 0.100 -0.887 -7.014 1.00 0.00 C ATOM 870 C LYS A 183 1.402 -0.662 -7.775 1.00 0.00 C ATOM 871 O LYS A 183 1.391 -0.324 -8.958 1.00 0.00 O ATOM 872 CB LYS A 183 -0.464 -2.270 -7.343 1.00 0.00 C ATOM 873 CG LYS A 183 0.341 -3.411 -6.742 1.00 0.00 C ATOM 874 CD LYS A 183 -0.348 -4.001 -5.523 1.00 0.00 C ATOM 875 CE LYS A 183 0.218 -5.365 -5.170 1.00 0.00 C ATOM 876 NZ LYS A 183 -0.702 -6.138 -4.289 1.00 0.00 N ATOM 0 H LYS A 183 -1.656 -0.171 -7.915 1.00 0.00 H new ATOM 0 HA LYS A 183 0.311 -0.832 -5.946 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -1.491 -2.330 -6.982 1.00 0.00 H new ATOM 0 HB3 LYS A 183 -0.499 -2.391 -8.426 1.00 0.00 H new ATOM 0 HG2 LYS A 183 0.485 -4.189 -7.491 1.00 0.00 H new ATOM 0 HG3 LYS A 183 1.331 -3.051 -6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -0.230 -3.326 -4.675 1.00 0.00 H new ATOM 0 HD3 LYS A 183 -1.417 -4.088 -5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 183 0.404 -5.929 -6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 183 1.179 -5.241 -4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -0.163 -6.864 -3.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -1.152 -5.495 -3.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -1.435 -6.595 -4.868 1.00 0.00 H new ATOM 890 N ALA A 184 2.524 -0.852 -7.087 1.00 0.00 N ATOM 891 CA ALA A 184 3.834 -0.670 -7.699 1.00 0.00 C ATOM 892 C ALA A 184 4.694 -1.920 -7.543 1.00 0.00 C ATOM 893 O ALA A 184 4.206 -2.901 -6.944 1.00 0.00 O ATOM 894 CB ALA A 184 4.537 0.534 -7.092 1.00 0.00 C ATOM 895 OXT ALA A 184 5.848 -1.908 -8.020 1.00 0.00 O ATOM 0 H ALA A 184 2.551 -1.132 -6.106 1.00 0.00 H new ATOM 0 HA ALA A 184 3.687 -0.493 -8.765 1.00 0.00 H new ATOM 0 HB1 ALA A 184 5.514 0.658 -7.558 1.00 0.00 H new ATOM 0 HB2 ALA A 184 3.938 1.429 -7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 184 4.663 0.379 -6.020 1.00 0.00 H new TER 901 ALA A 184