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 Single : A 128 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 GLN : amide:sc= -0.245 X(o=-0.24,f=-0.023) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 171:sc= -0.585 USER MOD Single : A 152 THR OG1 : rot 71:sc= -0.785 USER MOD Single : A 155 ASN : amide:sc= -0.383 X(o=-0.38,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 MET CE :methyl -165:sc= -0.667 (180deg=-1.48) USER MOD Single : A 166 THR OG1 : rot 40:sc= 0.918 USER MOD Single : A 172 THR OG1 : rot -26:sc= 0.265 USER MOD Single : A 179 SER OG : rot 180:sc= 0 USER MOD Single : A 180 GLN : amide:sc= -0.15 K(o=-0.15,f=-0.7) USER MOD Single : A 183 LYS NZ :NH3+ -135:sc= 0.552 (180deg=-0.0104) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 127 -10.330 -11.763 -8.944 1.00 0.00 N ATOM 2 CA ALA A 127 -10.979 -12.188 -7.677 1.00 0.00 C ATOM 3 C ALA A 127 -10.002 -12.113 -6.510 1.00 0.00 C ATOM 4 O ALA A 127 -9.463 -13.129 -6.072 1.00 0.00 O ATOM 5 CB ALA A 127 -11.530 -13.599 -7.816 1.00 0.00 C ATOM 0 HA ALA A 127 -11.804 -11.506 -7.471 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -12.003 -13.899 -6.881 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -12.266 -13.625 -8.619 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -10.716 -14.286 -8.047 1.00 0.00 H new ATOM 13 N GLN A 128 -9.776 -10.902 -6.009 1.00 0.00 N ATOM 14 CA GLN A 128 -8.863 -10.693 -4.891 1.00 0.00 C ATOM 15 C GLN A 128 -7.437 -11.083 -5.273 1.00 0.00 C ATOM 16 O GLN A 128 -7.221 -12.072 -5.973 1.00 0.00 O ATOM 17 CB GLN A 128 -9.317 -11.500 -3.674 1.00 0.00 C ATOM 18 CG GLN A 128 -8.659 -11.064 -2.374 1.00 0.00 C ATOM 19 CD GLN A 128 -9.665 -10.796 -1.271 1.00 0.00 C ATOM 20 OE1 GLN A 128 -10.030 -11.698 -0.517 1.00 0.00 O ATOM 21 NE2 GLN A 128 -10.116 -9.551 -1.171 1.00 0.00 N ATOM 0 H GLN A 128 -10.213 -10.050 -6.360 1.00 0.00 H new ATOM 0 HA GLN A 128 -8.876 -9.633 -4.638 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -10.398 -11.410 -3.572 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -9.099 -12.554 -3.846 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -7.964 -11.837 -2.046 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -8.073 -10.163 -2.553 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -9.785 -8.835 -1.818 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -10.793 -9.310 -0.447 1.00 0.00 H new ATOM 30 N VAL A 129 -6.470 -10.299 -4.810 1.00 0.00 N ATOM 31 CA VAL A 129 -5.067 -10.562 -5.105 1.00 0.00 C ATOM 32 C VAL A 129 -4.221 -10.525 -3.836 1.00 0.00 C ATOM 33 O VAL A 129 -4.625 -9.947 -2.827 1.00 0.00 O ATOM 34 CB VAL A 129 -4.505 -9.543 -6.113 1.00 0.00 C ATOM 35 CG1 VAL A 129 -3.113 -9.954 -6.569 1.00 0.00 C ATOM 36 CG2 VAL A 129 -5.441 -9.395 -7.303 1.00 0.00 C ATOM 0 H VAL A 129 -6.632 -9.476 -4.229 1.00 0.00 H new ATOM 0 HA VAL A 129 -5.018 -11.559 -5.542 1.00 0.00 H new ATOM 0 HB VAL A 129 -4.429 -8.575 -5.618 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -2.732 -9.222 -7.281 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -2.447 -10.002 -5.707 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -3.161 -10.933 -7.046 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -5.026 -8.671 -8.004 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -5.552 -10.359 -7.800 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -6.416 -9.050 -6.958 1.00 0.00 H new ATOM 46 N ALA A 130 -3.046 -11.145 -3.895 1.00 0.00 N ATOM 47 CA ALA A 130 -2.142 -11.182 -2.751 1.00 0.00 C ATOM 48 C ALA A 130 -1.791 -9.774 -2.282 1.00 0.00 C ATOM 49 O ALA A 130 -1.367 -8.932 -3.075 1.00 0.00 O ATOM 50 CB ALA A 130 -0.881 -11.956 -3.100 1.00 0.00 C ATOM 0 H ALA A 130 -2.698 -11.628 -4.723 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.651 -11.691 -1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -0.215 -11.975 -2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -1.145 -12.976 -3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -0.377 -11.472 -3.936 1.00 0.00 H new ATOM 56 N PHE A 131 -1.968 -9.525 -0.989 1.00 0.00 N ATOM 57 CA PHE A 131 -1.670 -8.219 -0.414 1.00 0.00 C ATOM 58 C PHE A 131 -1.089 -8.361 0.990 1.00 0.00 C ATOM 59 O PHE A 131 -1.421 -9.298 1.717 1.00 0.00 O ATOM 60 CB PHE A 131 -2.934 -7.360 -0.369 1.00 0.00 C ATOM 61 CG PHE A 131 -2.658 -5.884 -0.319 1.00 0.00 C ATOM 62 CD1 PHE A 131 -2.223 -5.286 0.852 1.00 0.00 C ATOM 63 CD2 PHE A 131 -2.835 -5.096 -1.445 1.00 0.00 C ATOM 64 CE1 PHE A 131 -1.969 -3.929 0.901 1.00 0.00 C ATOM 65 CE2 PHE A 131 -2.582 -3.738 -1.402 1.00 0.00 C ATOM 66 CZ PHE A 131 -2.149 -3.154 -0.228 1.00 0.00 C ATOM 0 H PHE A 131 -2.316 -10.211 -0.319 1.00 0.00 H new ATOM 0 HA PHE A 131 -0.928 -7.732 -1.047 1.00 0.00 H new ATOM 0 HB2 PHE A 131 -3.542 -7.578 -1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 131 -3.523 -7.641 0.504 1.00 0.00 H new ATOM 0 HD1 PHE A 131 -2.081 -5.888 1.737 1.00 0.00 H new ATOM 0 HD2 PHE A 131 -3.174 -5.548 -2.366 1.00 0.00 H new ATOM 0 HE1 PHE A 131 -1.630 -3.475 1.820 1.00 0.00 H new ATOM 0 HE2 PHE A 131 -2.723 -3.134 -2.286 1.00 0.00 H new ATOM 0 HZ PHE A 131 -1.951 -2.093 -0.193 1.00 0.00 H new ATOM 76 N ARG A 132 -0.220 -7.428 1.363 1.00 0.00 N ATOM 77 CA ARG A 132 0.408 -7.451 2.679 1.00 0.00 C ATOM 78 C ARG A 132 0.947 -6.075 3.050 1.00 0.00 C ATOM 79 O ARG A 132 1.411 -5.326 2.190 1.00 0.00 O ATOM 80 CB ARG A 132 1.539 -8.480 2.710 1.00 0.00 C ATOM 81 CG ARG A 132 2.545 -8.312 1.582 1.00 0.00 C ATOM 82 CD ARG A 132 3.972 -8.512 2.067 1.00 0.00 C ATOM 83 NE ARG A 132 4.878 -7.497 1.536 1.00 0.00 N ATOM 84 CZ ARG A 132 6.072 -7.222 2.057 1.00 0.00 C ATOM 85 NH1 ARG A 132 6.508 -7.884 3.121 1.00 0.00 N ATOM 86 NH2 ARG A 132 6.832 -6.282 1.512 1.00 0.00 N ATOM 0 H ARG A 132 0.066 -6.647 0.773 1.00 0.00 H new ATOM 0 HA ARG A 132 -0.350 -7.733 3.410 1.00 0.00 H new ATOM 0 HB2 ARG A 132 2.060 -8.406 3.665 1.00 0.00 H new ATOM 0 HB3 ARG A 132 1.110 -9.481 2.657 1.00 0.00 H new ATOM 0 HG2 ARG A 132 2.326 -9.028 0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 132 2.444 -7.317 1.149 1.00 0.00 H new ATOM 0 HD2 ARG A 132 3.992 -8.482 3.156 1.00 0.00 H new ATOM 0 HD3 ARG A 132 4.321 -9.501 1.769 1.00 0.00 H new ATOM 0 HE ARG A 132 4.578 -6.967 0.717 1.00 0.00 H new ATOM 0 HH11 ARG A 132 5.928 -8.608 3.544 1.00 0.00 H new ATOM 0 HH12 ARG A 132 7.424 -7.669 3.516 1.00 0.00 H new ATOM 0 HH21 ARG A 132 6.502 -5.770 0.694 1.00 0.00 H new ATOM 0 HH22 ARG A 132 7.747 -6.071 1.911 1.00 0.00 H new ATOM 100 N GLU A 133 0.882 -5.747 4.337 1.00 0.00 N ATOM 101 CA GLU A 133 1.366 -4.460 4.822 1.00 0.00 C ATOM 102 C GLU A 133 2.864 -4.314 4.574 1.00 0.00 C ATOM 103 O GLU A 133 3.649 -5.200 4.914 1.00 0.00 O ATOM 104 CB GLU A 133 1.068 -4.310 6.316 1.00 0.00 C ATOM 105 CG GLU A 133 1.668 -5.415 7.169 1.00 0.00 C ATOM 106 CD GLU A 133 2.872 -4.949 7.964 1.00 0.00 C ATOM 107 OE1 GLU A 133 2.901 -3.765 8.358 1.00 0.00 O ATOM 108 OE2 GLU A 133 3.785 -5.770 8.192 1.00 0.00 O ATOM 0 H GLU A 133 0.499 -6.354 5.062 1.00 0.00 H new ATOM 0 HA GLU A 133 0.847 -3.674 4.274 1.00 0.00 H new ATOM 0 HB2 GLU A 133 1.450 -3.349 6.660 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -0.012 -4.295 6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 133 0.909 -5.793 7.854 1.00 0.00 H new ATOM 0 HG3 GLU A 133 1.960 -6.246 6.527 1.00 0.00 H new ATOM 115 N GLY A 134 3.254 -3.192 3.979 1.00 0.00 N ATOM 116 CA GLY A 134 4.657 -2.951 3.695 1.00 0.00 C ATOM 117 C GLY A 134 4.923 -2.729 2.219 1.00 0.00 C ATOM 118 O GLY A 134 5.927 -2.124 1.848 1.00 0.00 O ATOM 0 H GLY A 134 2.624 -2.445 3.688 1.00 0.00 H new ATOM 0 HA2 GLY A 134 4.993 -2.079 4.256 1.00 0.00 H new ATOM 0 HA3 GLY A 134 5.245 -3.800 4.043 1.00 0.00 H new ATOM 122 N ASP A 135 4.022 -3.223 1.373 1.00 0.00 N ATOM 123 CA ASP A 135 4.167 -3.074 -0.071 1.00 0.00 C ATOM 124 C ASP A 135 4.284 -1.604 -0.461 1.00 0.00 C ATOM 125 O ASP A 135 3.964 -0.715 0.327 1.00 0.00 O ATOM 126 CB ASP A 135 2.978 -3.714 -0.791 1.00 0.00 C ATOM 127 CG ASP A 135 3.393 -4.462 -2.042 1.00 0.00 C ATOM 128 OD1 ASP A 135 3.734 -3.800 -3.045 1.00 0.00 O ATOM 129 OD2 ASP A 135 3.377 -5.710 -2.020 1.00 0.00 O ATOM 0 H ASP A 135 3.185 -3.729 1.663 1.00 0.00 H new ATOM 0 HA ASP A 135 5.083 -3.582 -0.373 1.00 0.00 H new ATOM 0 HB2 ASP A 135 2.472 -4.400 -0.112 1.00 0.00 H new ATOM 0 HB3 ASP A 135 2.258 -2.940 -1.056 1.00 0.00 H new ATOM 134 N GLN A 136 4.748 -1.357 -1.683 1.00 0.00 N ATOM 135 CA GLN A 136 4.910 0.004 -2.177 1.00 0.00 C ATOM 136 C GLN A 136 3.805 0.359 -3.167 1.00 0.00 C ATOM 137 O GLN A 136 3.468 -0.432 -4.049 1.00 0.00 O ATOM 138 CB GLN A 136 6.278 0.167 -2.843 1.00 0.00 C ATOM 139 CG GLN A 136 7.430 -0.350 -1.998 1.00 0.00 C ATOM 140 CD GLN A 136 8.316 0.765 -1.476 1.00 0.00 C ATOM 141 OE1 GLN A 136 9.543 0.652 -1.479 1.00 0.00 O ATOM 142 NE2 GLN A 136 7.698 1.849 -1.021 1.00 0.00 N ATOM 0 H GLN A 136 5.018 -2.082 -2.348 1.00 0.00 H new ATOM 0 HA GLN A 136 4.843 0.683 -1.327 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.273 -0.359 -3.797 1.00 0.00 H new ATOM 0 HB3 GLN A 136 6.443 1.222 -3.062 1.00 0.00 H new ATOM 0 HG2 GLN A 136 7.033 -0.918 -1.157 1.00 0.00 H new ATOM 0 HG3 GLN A 136 8.031 -1.039 -2.592 1.00 0.00 H new ATOM 0 HE21 GLN A 136 6.679 1.900 -1.037 1.00 0.00 H new ATOM 0 HE22 GLN A 136 8.242 2.630 -0.655 1.00 0.00 H new ATOM 151 N VAL A 137 3.245 1.554 -3.015 1.00 0.00 N ATOM 152 CA VAL A 137 2.180 2.018 -3.894 1.00 0.00 C ATOM 153 C VAL A 137 2.380 3.482 -4.272 1.00 0.00 C ATOM 154 O VAL A 137 2.597 4.330 -3.408 1.00 0.00 O ATOM 155 CB VAL A 137 0.798 1.857 -3.233 1.00 0.00 C ATOM 156 CG1 VAL A 137 0.404 0.389 -3.168 1.00 0.00 C ATOM 157 CG2 VAL A 137 0.795 2.482 -1.846 1.00 0.00 C ATOM 0 H VAL A 137 3.512 2.219 -2.290 1.00 0.00 H new ATOM 0 HA VAL A 137 2.220 1.403 -4.793 1.00 0.00 H new ATOM 0 HB VAL A 137 0.060 2.379 -3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.575 0.295 -2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.363 -0.022 -4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.141 -0.160 -2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.189 2.359 -1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.544 1.991 -1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 137 1.028 3.544 -1.925 1.00 0.00 H new ATOM 167 N ARG A 138 2.308 3.772 -5.568 1.00 0.00 N ATOM 168 CA ARG A 138 2.484 5.136 -6.051 1.00 0.00 C ATOM 169 C ARG A 138 1.204 5.946 -5.872 1.00 0.00 C ATOM 170 O ARG A 138 0.133 5.390 -5.629 1.00 0.00 O ATOM 171 CB ARG A 138 2.901 5.136 -7.526 1.00 0.00 C ATOM 172 CG ARG A 138 4.136 5.979 -7.812 1.00 0.00 C ATOM 173 CD ARG A 138 5.066 5.291 -8.800 1.00 0.00 C ATOM 174 NE ARG A 138 6.377 5.016 -8.218 1.00 0.00 N ATOM 175 CZ ARG A 138 7.338 5.928 -8.089 1.00 0.00 C ATOM 176 NH1 ARG A 138 7.141 7.173 -8.504 1.00 0.00 N ATOM 177 NH2 ARG A 138 8.500 5.593 -7.544 1.00 0.00 N ATOM 0 H ARG A 138 2.130 3.083 -6.299 1.00 0.00 H new ATOM 0 HA ARG A 138 3.274 5.601 -5.461 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.091 4.110 -7.841 1.00 0.00 H new ATOM 0 HB3 ARG A 138 2.072 5.506 -8.129 1.00 0.00 H new ATOM 0 HG2 ARG A 138 3.832 6.947 -8.211 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.670 6.171 -6.881 1.00 0.00 H new ATOM 0 HD2 ARG A 138 4.614 4.357 -9.133 1.00 0.00 H new ATOM 0 HD3 ARG A 138 5.186 5.919 -9.683 1.00 0.00 H new ATOM 0 HE ARG A 138 6.568 4.069 -7.891 1.00 0.00 H new ATOM 0 HH11 ARG A 138 6.249 7.435 -8.924 1.00 0.00 H new ATOM 0 HH12 ARG A 138 7.881 7.868 -8.403 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.657 4.637 -7.224 1.00 0.00 H new ATOM 0 HH22 ARG A 138 9.237 6.291 -7.445 1.00 0.00 H new ATOM 191 N VAL A 139 1.328 7.261 -5.991 1.00 0.00 N ATOM 192 CA VAL A 139 0.188 8.157 -5.843 1.00 0.00 C ATOM 193 C VAL A 139 -0.646 8.194 -7.122 1.00 0.00 C ATOM 194 O VAL A 139 -0.226 7.683 -8.160 1.00 0.00 O ATOM 195 CB VAL A 139 0.647 9.587 -5.493 1.00 0.00 C ATOM 196 CG1 VAL A 139 -0.511 10.412 -4.955 1.00 0.00 C ATOM 197 CG2 VAL A 139 1.793 9.552 -4.491 1.00 0.00 C ATOM 0 H VAL A 139 2.210 7.733 -6.190 1.00 0.00 H new ATOM 0 HA VAL A 139 -0.423 7.771 -5.027 1.00 0.00 H new ATOM 0 HB VAL A 139 1.004 10.062 -6.407 1.00 0.00 H new ATOM 0 HG11 VAL A 139 -0.162 11.416 -4.715 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -1.297 10.471 -5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.906 9.941 -4.055 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.103 10.570 -4.257 1.00 0.00 H new ATOM 0 HG22 VAL A 139 1.464 9.054 -3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 139 2.634 9.006 -4.919 1.00 0.00 H new ATOM 207 N VAL A 140 -1.832 8.791 -7.039 1.00 0.00 N ATOM 208 CA VAL A 140 -2.724 8.880 -8.195 1.00 0.00 C ATOM 209 C VAL A 140 -2.312 10.002 -9.147 1.00 0.00 C ATOM 210 O VAL A 140 -1.912 9.742 -10.281 1.00 0.00 O ATOM 211 CB VAL A 140 -4.198 9.086 -7.777 1.00 0.00 C ATOM 212 CG1 VAL A 140 -4.842 7.752 -7.439 1.00 0.00 C ATOM 213 CG2 VAL A 140 -4.322 10.058 -6.607 1.00 0.00 C ATOM 0 H VAL A 140 -2.198 9.219 -6.188 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.636 7.925 -8.713 1.00 0.00 H new ATOM 0 HB VAL A 140 -4.726 9.527 -8.623 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.880 7.913 -7.146 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -4.808 7.100 -8.312 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.301 7.285 -6.616 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -5.373 10.177 -6.342 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -3.774 9.667 -5.750 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -3.908 11.025 -6.892 1.00 0.00 H new ATOM 223 N SER A 141 -2.414 11.246 -8.690 1.00 0.00 N ATOM 224 CA SER A 141 -2.053 12.392 -9.519 1.00 0.00 C ATOM 225 C SER A 141 -1.788 13.625 -8.660 1.00 0.00 C ATOM 226 O SER A 141 -1.625 13.526 -7.444 1.00 0.00 O ATOM 227 CB SER A 141 -3.167 12.686 -10.527 1.00 0.00 C ATOM 228 OG SER A 141 -4.274 13.308 -9.899 1.00 0.00 O ATOM 0 H SER A 141 -2.742 11.486 -7.755 1.00 0.00 H new ATOM 0 HA SER A 141 -1.138 12.147 -10.058 1.00 0.00 H new ATOM 0 HB2 SER A 141 -2.785 13.331 -11.318 1.00 0.00 H new ATOM 0 HB3 SER A 141 -3.488 11.758 -11.000 1.00 0.00 H new ATOM 0 HG SER A 141 -4.970 13.486 -10.565 1.00 0.00 H new ATOM 234 N GLY A 142 -1.747 14.790 -9.303 1.00 0.00 N ATOM 235 CA GLY A 142 -1.503 16.026 -8.585 1.00 0.00 C ATOM 236 C GLY A 142 -0.026 16.273 -8.342 1.00 0.00 C ATOM 237 O GLY A 142 0.820 15.711 -9.036 1.00 0.00 O ATOM 0 H GLY A 142 -1.879 14.898 -10.309 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -1.920 16.860 -9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -2.026 15.997 -7.629 1.00 0.00 H new ATOM 241 N PRO A 143 0.318 17.114 -7.353 1.00 0.00 N ATOM 242 CA PRO A 143 1.715 17.423 -7.029 1.00 0.00 C ATOM 243 C PRO A 143 2.458 16.220 -6.452 1.00 0.00 C ATOM 244 O PRO A 143 3.683 16.234 -6.336 1.00 0.00 O ATOM 245 CB PRO A 143 1.604 18.533 -5.981 1.00 0.00 C ATOM 246 CG PRO A 143 0.257 18.349 -5.372 1.00 0.00 C ATOM 247 CD PRO A 143 -0.625 17.828 -6.471 1.00 0.00 C ATOM 0 HA PRO A 143 2.281 17.710 -7.915 1.00 0.00 H new ATOM 0 HB2 PRO A 143 2.391 18.450 -5.232 1.00 0.00 H new ATOM 0 HB3 PRO A 143 1.701 19.518 -6.437 1.00 0.00 H new ATOM 0 HG2 PRO A 143 0.298 17.648 -4.539 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -0.125 19.291 -4.978 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -1.398 17.163 -6.086 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -1.134 18.637 -6.996 1.00 0.00 H new ATOM 255 N PHE A 144 1.710 15.180 -6.091 1.00 0.00 N ATOM 256 CA PHE A 144 2.303 13.973 -5.526 1.00 0.00 C ATOM 257 C PHE A 144 2.239 12.814 -6.514 1.00 0.00 C ATOM 258 O PHE A 144 2.318 11.655 -6.117 1.00 0.00 O ATOM 259 CB PHE A 144 1.581 13.573 -4.235 1.00 0.00 C ATOM 260 CG PHE A 144 1.088 14.736 -3.422 1.00 0.00 C ATOM 261 CD1 PHE A 144 1.975 15.529 -2.714 1.00 0.00 C ATOM 262 CD2 PHE A 144 -0.263 15.031 -3.367 1.00 0.00 C ATOM 263 CE1 PHE A 144 1.520 16.599 -1.964 1.00 0.00 C ATOM 264 CE2 PHE A 144 -0.724 16.098 -2.620 1.00 0.00 C ATOM 265 CZ PHE A 144 0.169 16.883 -1.918 1.00 0.00 C ATOM 0 H PHE A 144 0.694 15.150 -6.180 1.00 0.00 H new ATOM 0 HA PHE A 144 3.348 14.193 -5.307 1.00 0.00 H new ATOM 0 HB2 PHE A 144 0.734 12.935 -4.488 1.00 0.00 H new ATOM 0 HB3 PHE A 144 2.258 12.977 -3.623 1.00 0.00 H new ATOM 0 HD1 PHE A 144 3.032 15.310 -2.747 1.00 0.00 H new ATOM 0 HD2 PHE A 144 -0.965 14.420 -3.914 1.00 0.00 H new ATOM 0 HE1 PHE A 144 2.220 17.211 -1.415 1.00 0.00 H new ATOM 0 HE2 PHE A 144 -1.781 16.318 -2.585 1.00 0.00 H new ATOM 0 HZ PHE A 144 -0.188 17.718 -1.334 1.00 0.00 H new ATOM 275 N ALA A 145 2.090 13.125 -7.798 1.00 0.00 N ATOM 276 CA ALA A 145 2.004 12.089 -8.827 1.00 0.00 C ATOM 277 C ALA A 145 3.378 11.551 -9.223 1.00 0.00 C ATOM 278 O ALA A 145 3.626 11.264 -10.394 1.00 0.00 O ATOM 279 CB ALA A 145 1.277 12.627 -10.051 1.00 0.00 C ATOM 0 H ALA A 145 2.026 14.080 -8.151 1.00 0.00 H new ATOM 0 HA ALA A 145 1.441 11.257 -8.405 1.00 0.00 H new ATOM 0 HB1 ALA A 145 1.218 11.848 -10.811 1.00 0.00 H new ATOM 0 HB2 ALA A 145 0.270 12.936 -9.770 1.00 0.00 H new ATOM 0 HB3 ALA A 145 1.821 13.483 -10.450 1.00 0.00 H new ATOM 285 N ASP A 146 4.262 11.403 -8.243 1.00 0.00 N ATOM 286 CA ASP A 146 5.600 10.884 -8.498 1.00 0.00 C ATOM 287 C ASP A 146 6.241 10.377 -7.212 1.00 0.00 C ATOM 288 O ASP A 146 7.445 10.532 -7.004 1.00 0.00 O ATOM 289 CB ASP A 146 6.479 11.960 -9.139 1.00 0.00 C ATOM 290 CG ASP A 146 7.196 11.461 -10.378 1.00 0.00 C ATOM 291 OD1 ASP A 146 6.525 11.266 -11.413 1.00 0.00 O ATOM 292 OD2 ASP A 146 8.427 11.263 -10.313 1.00 0.00 O ATOM 0 H ASP A 146 4.077 11.634 -7.267 1.00 0.00 H new ATOM 0 HA ASP A 146 5.511 10.046 -9.190 1.00 0.00 H new ATOM 0 HB2 ASP A 146 5.862 12.820 -9.401 1.00 0.00 H new ATOM 0 HB3 ASP A 146 7.214 12.305 -8.412 1.00 0.00 H new ATOM 297 N PHE A 147 5.430 9.774 -6.354 1.00 0.00 N ATOM 298 CA PHE A 147 5.920 9.247 -5.084 1.00 0.00 C ATOM 299 C PHE A 147 5.134 8.009 -4.668 1.00 0.00 C ATOM 300 O PHE A 147 4.027 7.771 -5.152 1.00 0.00 O ATOM 301 CB PHE A 147 5.824 10.315 -3.994 1.00 0.00 C ATOM 302 CG PHE A 147 6.492 11.610 -4.359 1.00 0.00 C ATOM 303 CD1 PHE A 147 7.864 11.669 -4.545 1.00 0.00 C ATOM 304 CD2 PHE A 147 5.747 12.769 -4.515 1.00 0.00 C ATOM 305 CE1 PHE A 147 8.481 12.860 -4.880 1.00 0.00 C ATOM 306 CE2 PHE A 147 6.359 13.962 -4.849 1.00 0.00 C ATOM 307 CZ PHE A 147 7.727 14.008 -5.032 1.00 0.00 C ATOM 0 H PHE A 147 4.432 9.637 -6.512 1.00 0.00 H new ATOM 0 HA PHE A 147 6.964 8.964 -5.216 1.00 0.00 H new ATOM 0 HB2 PHE A 147 4.773 10.507 -3.777 1.00 0.00 H new ATOM 0 HB3 PHE A 147 6.274 9.929 -3.079 1.00 0.00 H new ATOM 0 HD1 PHE A 147 8.458 10.775 -4.427 1.00 0.00 H new ATOM 0 HD2 PHE A 147 4.677 12.739 -4.374 1.00 0.00 H new ATOM 0 HE1 PHE A 147 9.551 12.893 -5.023 1.00 0.00 H new ATOM 0 HE2 PHE A 147 5.768 14.858 -4.967 1.00 0.00 H new ATOM 0 HZ PHE A 147 8.207 14.940 -5.293 1.00 0.00 H new ATOM 317 N THR A 148 5.715 7.226 -3.765 1.00 0.00 N ATOM 318 CA THR A 148 5.070 6.013 -3.279 1.00 0.00 C ATOM 319 C THR A 148 4.866 6.080 -1.769 1.00 0.00 C ATOM 320 O THR A 148 5.172 7.092 -1.138 1.00 0.00 O ATOM 321 CB THR A 148 5.909 4.785 -3.639 1.00 0.00 C ATOM 322 OG1 THR A 148 7.291 5.069 -3.518 1.00 0.00 O ATOM 323 CG2 THR A 148 5.666 4.286 -5.047 1.00 0.00 C ATOM 0 H THR A 148 6.631 7.410 -3.356 1.00 0.00 H new ATOM 0 HA THR A 148 4.095 5.929 -3.758 1.00 0.00 H new ATOM 0 HB THR A 148 5.602 4.010 -2.937 1.00 0.00 H new ATOM 0 HG1 THR A 148 7.810 4.271 -3.751 1.00 0.00 H new ATOM 0 HG21 THR A 148 6.292 3.414 -5.237 1.00 0.00 H new ATOM 0 HG22 THR A 148 4.617 4.011 -5.160 1.00 0.00 H new ATOM 0 HG23 THR A 148 5.914 5.073 -5.760 1.00 0.00 H new ATOM 331 N GLY A 149 4.345 5.002 -1.195 1.00 0.00 N ATOM 332 CA GLY A 149 4.110 4.968 0.236 1.00 0.00 C ATOM 333 C GLY A 149 4.236 3.574 0.817 1.00 0.00 C ATOM 334 O GLY A 149 3.989 2.583 0.131 1.00 0.00 O ATOM 0 H GLY A 149 4.082 4.152 -1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 149 4.820 5.629 0.732 1.00 0.00 H new ATOM 0 HA3 GLY A 149 3.113 5.356 0.446 1.00 0.00 H new ATOM 338 N THR A 150 4.620 3.501 2.088 1.00 0.00 N ATOM 339 CA THR A 150 4.776 2.223 2.770 1.00 0.00 C ATOM 340 C THR A 150 3.524 1.882 3.571 1.00 0.00 C ATOM 341 O THR A 150 3.331 2.379 4.680 1.00 0.00 O ATOM 342 CB THR A 150 5.993 2.259 3.695 1.00 0.00 C ATOM 343 OG1 THR A 150 7.068 2.947 3.083 1.00 0.00 O ATOM 344 CG2 THR A 150 6.489 0.885 4.087 1.00 0.00 C ATOM 0 H THR A 150 4.829 4.315 2.667 1.00 0.00 H new ATOM 0 HA THR A 150 4.927 1.451 2.015 1.00 0.00 H new ATOM 0 HB THR A 150 5.656 2.774 4.594 1.00 0.00 H new ATOM 0 HG1 THR A 150 7.783 3.087 3.739 1.00 0.00 H new ATOM 0 HG21 THR A 150 7.354 0.984 4.743 1.00 0.00 H new ATOM 0 HG22 THR A 150 5.697 0.347 4.609 1.00 0.00 H new ATOM 0 HG23 THR A 150 6.774 0.332 3.192 1.00 0.00 H new ATOM 352 N VAL A 151 2.675 1.034 3.000 1.00 0.00 N ATOM 353 CA VAL A 151 1.437 0.630 3.660 1.00 0.00 C ATOM 354 C VAL A 151 1.714 0.011 5.027 1.00 0.00 C ATOM 355 O VAL A 151 2.178 -1.125 5.123 1.00 0.00 O ATOM 356 CB VAL A 151 0.644 -0.377 2.801 1.00 0.00 C ATOM 357 CG1 VAL A 151 -0.674 -0.738 3.474 1.00 0.00 C ATOM 358 CG2 VAL A 151 0.399 0.181 1.407 1.00 0.00 C ATOM 0 H VAL A 151 2.821 0.613 2.082 1.00 0.00 H new ATOM 0 HA VAL A 151 0.841 1.533 3.791 1.00 0.00 H new ATOM 0 HB VAL A 151 1.239 -1.285 2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -1.217 -1.449 2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -0.475 -1.186 4.448 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -1.274 0.162 3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -0.162 -0.545 0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -0.172 1.107 1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 151 1.354 0.381 0.922 1.00 0.00 H new ATOM 368 N THR A 152 1.419 0.765 6.080 1.00 0.00 N ATOM 369 CA THR A 152 1.629 0.290 7.442 1.00 0.00 C ATOM 370 C THR A 152 0.445 -0.553 7.903 1.00 0.00 C ATOM 371 O THR A 152 0.617 -1.565 8.580 1.00 0.00 O ATOM 372 CB THR A 152 1.830 1.472 8.394 1.00 0.00 C ATOM 373 OG1 THR A 152 0.790 2.421 8.241 1.00 0.00 O ATOM 374 CG2 THR A 152 3.145 2.191 8.186 1.00 0.00 C ATOM 0 H THR A 152 1.034 1.707 6.016 1.00 0.00 H new ATOM 0 HA THR A 152 2.526 -0.329 7.454 1.00 0.00 H new ATOM 0 HB THR A 152 1.826 1.041 9.395 1.00 0.00 H new ATOM 0 HG1 THR A 152 -0.043 2.054 8.604 1.00 0.00 H new ATOM 0 HG21 THR A 152 3.224 3.017 8.892 1.00 0.00 H new ATOM 0 HG22 THR A 152 3.969 1.496 8.347 1.00 0.00 H new ATOM 0 HG23 THR A 152 3.191 2.578 7.168 1.00 0.00 H new ATOM 382 N GLU A 153 -0.756 -0.127 7.524 1.00 0.00 N ATOM 383 CA GLU A 153 -1.972 -0.841 7.892 1.00 0.00 C ATOM 384 C GLU A 153 -2.994 -0.785 6.760 1.00 0.00 C ATOM 385 O GLU A 153 -2.915 0.075 5.882 1.00 0.00 O ATOM 386 CB GLU A 153 -2.572 -0.251 9.169 1.00 0.00 C ATOM 387 CG GLU A 153 -3.076 1.173 9.004 1.00 0.00 C ATOM 388 CD GLU A 153 -3.685 1.728 10.277 1.00 0.00 C ATOM 389 OE1 GLU A 153 -2.982 1.756 11.309 1.00 0.00 O ATOM 390 OE2 GLU A 153 -4.865 2.135 10.242 1.00 0.00 O ATOM 0 H GLU A 153 -0.912 0.710 6.962 1.00 0.00 H new ATOM 0 HA GLU A 153 -1.712 -1.884 8.074 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -3.396 -0.883 9.499 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -1.819 -0.272 9.957 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -2.250 1.813 8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -3.820 1.201 8.208 1.00 0.00 H new ATOM 397 N ILE A 154 -3.953 -1.705 6.787 1.00 0.00 N ATOM 398 CA ILE A 154 -4.989 -1.758 5.763 1.00 0.00 C ATOM 399 C ILE A 154 -6.373 -1.896 6.387 1.00 0.00 C ATOM 400 O ILE A 154 -6.557 -2.631 7.357 1.00 0.00 O ATOM 401 CB ILE A 154 -4.758 -2.930 4.790 1.00 0.00 C ATOM 402 CG1 ILE A 154 -3.312 -2.932 4.291 1.00 0.00 C ATOM 403 CG2 ILE A 154 -5.728 -2.845 3.620 1.00 0.00 C ATOM 404 CD1 ILE A 154 -2.402 -3.845 5.085 1.00 0.00 C ATOM 0 H ILE A 154 -4.034 -2.423 7.507 1.00 0.00 H new ATOM 0 HA ILE A 154 -4.935 -0.820 5.210 1.00 0.00 H new ATOM 0 HB ILE A 154 -4.939 -3.864 5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -3.297 -3.237 3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -2.920 -1.916 4.332 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -5.553 -3.679 2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -6.752 -2.888 3.992 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -5.575 -1.906 3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -1.392 -3.797 4.677 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -2.387 -3.527 6.127 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -2.770 -4.869 5.023 1.00 0.00 H new ATOM 416 N ASN A 155 -7.344 -1.184 5.824 1.00 0.00 N ATOM 417 CA ASN A 155 -8.713 -1.226 6.327 1.00 0.00 C ATOM 418 C ASN A 155 -9.703 -1.448 5.186 1.00 0.00 C ATOM 419 O ASN A 155 -10.265 -0.494 4.648 1.00 0.00 O ATOM 420 CB ASN A 155 -9.049 0.071 7.066 1.00 0.00 C ATOM 421 CG ASN A 155 -9.924 -0.167 8.281 1.00 0.00 C ATOM 422 OD1 ASN A 155 -9.634 0.318 9.374 1.00 0.00 O ATOM 423 ND2 ASN A 155 -11.004 -0.918 8.096 1.00 0.00 N ATOM 0 H ASN A 155 -7.209 -0.571 5.020 1.00 0.00 H new ATOM 0 HA ASN A 155 -8.793 -2.061 7.023 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -8.125 0.559 7.377 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -9.556 0.754 6.384 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -11.630 -1.112 8.877 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -11.207 -1.301 7.173 1.00 0.00 H new ATOM 430 N PRO A 156 -9.930 -2.717 4.802 1.00 0.00 N ATOM 431 CA PRO A 156 -10.859 -3.059 3.719 1.00 0.00 C ATOM 432 C PRO A 156 -12.311 -2.773 4.088 1.00 0.00 C ATOM 433 O PRO A 156 -13.141 -2.507 3.220 1.00 0.00 O ATOM 434 CB PRO A 156 -10.643 -4.562 3.524 1.00 0.00 C ATOM 435 CG PRO A 156 -10.119 -5.044 4.833 1.00 0.00 C ATOM 436 CD PRO A 156 -9.302 -3.913 5.391 1.00 0.00 C ATOM 0 HA PRO A 156 -10.672 -2.469 2.822 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -11.574 -5.065 3.261 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -9.936 -4.759 2.718 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -10.934 -5.307 5.507 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -9.511 -5.939 4.704 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -9.337 -3.891 6.480 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -8.253 -3.997 5.108 1.00 0.00 H new ATOM 444 N GLU A 157 -12.609 -2.828 5.382 1.00 0.00 N ATOM 445 CA GLU A 157 -13.963 -2.575 5.865 1.00 0.00 C ATOM 446 C GLU A 157 -14.424 -1.173 5.481 1.00 0.00 C ATOM 447 O GLU A 157 -15.435 -1.006 4.800 1.00 0.00 O ATOM 448 CB GLU A 157 -14.024 -2.746 7.385 1.00 0.00 C ATOM 449 CG GLU A 157 -15.421 -3.040 7.907 1.00 0.00 C ATOM 450 CD GLU A 157 -15.447 -3.277 9.405 1.00 0.00 C ATOM 451 OE1 GLU A 157 -14.828 -2.480 10.142 1.00 0.00 O ATOM 452 OE2 GLU A 157 -16.085 -4.257 9.841 1.00 0.00 O ATOM 0 H GLU A 157 -11.933 -3.045 6.114 1.00 0.00 H new ATOM 0 HA GLU A 157 -14.631 -3.298 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -13.357 -3.557 7.678 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -13.651 -1.839 7.860 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -16.079 -2.206 7.664 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -15.818 -3.918 7.397 1.00 0.00 H new ATOM 459 N ARG A 158 -13.675 -0.167 5.922 1.00 0.00 N ATOM 460 CA ARG A 158 -14.007 1.221 5.623 1.00 0.00 C ATOM 461 C ARG A 158 -13.393 1.655 4.295 1.00 0.00 C ATOM 462 O ARG A 158 -13.939 2.508 3.596 1.00 0.00 O ATOM 463 CB ARG A 158 -13.519 2.138 6.746 1.00 0.00 C ATOM 464 CG ARG A 158 -14.424 2.136 7.969 1.00 0.00 C ATOM 465 CD ARG A 158 -13.690 1.652 9.209 1.00 0.00 C ATOM 466 NE ARG A 158 -13.076 2.752 9.948 1.00 0.00 N ATOM 467 CZ ARG A 158 -13.747 3.568 10.759 1.00 0.00 C ATOM 468 NH1 ARG A 158 -15.053 3.409 10.938 1.00 0.00 N ATOM 469 NH2 ARG A 158 -13.110 4.542 11.393 1.00 0.00 N ATOM 0 H ARG A 158 -12.835 -0.287 6.487 1.00 0.00 H new ATOM 0 HA ARG A 158 -15.091 1.299 5.544 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -12.517 1.831 7.045 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -13.440 3.156 6.364 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -14.806 3.142 8.141 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -15.286 1.496 7.783 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -14.387 1.123 9.859 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -12.920 0.937 8.918 1.00 0.00 H new ATOM 0 HE ARG A 158 -12.074 2.904 9.836 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -15.547 2.659 10.453 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -15.563 4.036 11.560 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -12.106 4.666 11.260 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -13.623 5.167 12.014 1.00 0.00 H new ATOM 483 N GLY A 159 -12.253 1.061 3.954 1.00 0.00 N ATOM 484 CA GLY A 159 -11.584 1.400 2.712 1.00 0.00 C ATOM 485 C GLY A 159 -10.512 2.454 2.900 1.00 0.00 C ATOM 486 O GLY A 159 -10.329 3.320 2.046 1.00 0.00 O ATOM 0 H GLY A 159 -11.782 0.352 4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.135 0.502 2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -12.320 1.759 1.993 1.00 0.00 H new ATOM 490 N LYS A 160 -9.802 2.380 4.020 1.00 0.00 N ATOM 491 CA LYS A 160 -8.742 3.335 4.318 1.00 0.00 C ATOM 492 C LYS A 160 -7.379 2.650 4.335 1.00 0.00 C ATOM 493 O LYS A 160 -7.280 1.450 4.589 1.00 0.00 O ATOM 494 CB LYS A 160 -9.001 4.013 5.666 1.00 0.00 C ATOM 495 CG LYS A 160 -10.190 4.959 5.653 1.00 0.00 C ATOM 496 CD LYS A 160 -10.076 6.019 6.738 1.00 0.00 C ATOM 497 CE LYS A 160 -11.188 5.892 7.766 1.00 0.00 C ATOM 498 NZ LYS A 160 -11.680 7.222 8.219 1.00 0.00 N ATOM 0 H LYS A 160 -9.942 1.668 4.737 1.00 0.00 H new ATOM 0 HA LYS A 160 -8.739 4.091 3.533 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -9.166 3.246 6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -8.110 4.567 5.962 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -10.261 5.442 4.678 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -11.109 4.391 5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -9.110 5.930 7.234 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -10.111 7.010 6.284 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -12.015 5.326 7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -10.826 5.327 8.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -12.438 7.092 8.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -10.897 7.753 8.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -12.050 7.752 7.404 1.00 0.00 H new ATOM 512 N VAL A 161 -6.331 3.422 4.062 1.00 0.00 N ATOM 513 CA VAL A 161 -4.974 2.890 4.046 1.00 0.00 C ATOM 514 C VAL A 161 -3.969 3.938 4.508 1.00 0.00 C ATOM 515 O VAL A 161 -4.094 5.118 4.182 1.00 0.00 O ATOM 516 CB VAL A 161 -4.578 2.402 2.641 1.00 0.00 C ATOM 517 CG1 VAL A 161 -5.381 1.169 2.256 1.00 0.00 C ATOM 518 CG2 VAL A 161 -4.767 3.511 1.617 1.00 0.00 C ATOM 0 H VAL A 161 -6.396 4.417 3.849 1.00 0.00 H new ATOM 0 HA VAL A 161 -4.958 2.045 4.734 1.00 0.00 H new ATOM 0 HB VAL A 161 -3.523 2.129 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -5.086 0.839 1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -5.189 0.371 2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -6.444 1.411 2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -4.482 3.147 0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -5.813 3.818 1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -4.142 4.363 1.884 1.00 0.00 H new ATOM 528 N LYS A 162 -2.972 3.500 5.269 1.00 0.00 N ATOM 529 CA LYS A 162 -1.945 4.403 5.775 1.00 0.00 C ATOM 530 C LYS A 162 -0.579 4.055 5.194 1.00 0.00 C ATOM 531 O LYS A 162 -0.101 2.928 5.338 1.00 0.00 O ATOM 532 CB LYS A 162 -1.889 4.340 7.303 1.00 0.00 C ATOM 533 CG LYS A 162 -0.892 5.313 7.912 1.00 0.00 C ATOM 534 CD LYS A 162 -1.052 5.402 9.421 1.00 0.00 C ATOM 535 CE LYS A 162 -0.081 4.479 10.139 1.00 0.00 C ATOM 536 NZ LYS A 162 0.314 5.013 11.470 1.00 0.00 N ATOM 0 H LYS A 162 -2.853 2.526 5.549 1.00 0.00 H new ATOM 0 HA LYS A 162 -2.205 5.416 5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -2.881 4.549 7.704 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -1.629 3.326 7.608 1.00 0.00 H new ATOM 0 HG2 LYS A 162 0.122 4.995 7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -1.030 6.300 7.471 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -0.887 6.429 9.746 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -2.074 5.141 9.696 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -0.538 3.497 10.263 1.00 0.00 H new ATOM 0 HE3 LYS A 162 0.809 4.341 9.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 0.976 4.354 11.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 0.774 5.938 11.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 -0.532 5.121 12.066 1.00 0.00 H new ATOM 550 N VAL A 163 0.046 5.027 4.537 1.00 0.00 N ATOM 551 CA VAL A 163 1.357 4.820 3.937 1.00 0.00 C ATOM 552 C VAL A 163 2.280 6.005 4.201 1.00 0.00 C ATOM 553 O VAL A 163 1.833 7.150 4.263 1.00 0.00 O ATOM 554 CB VAL A 163 1.256 4.599 2.413 1.00 0.00 C ATOM 555 CG1 VAL A 163 0.410 3.373 2.104 1.00 0.00 C ATOM 556 CG2 VAL A 163 0.691 5.835 1.726 1.00 0.00 C ATOM 0 H VAL A 163 -0.335 5.964 4.407 1.00 0.00 H new ATOM 0 HA VAL A 163 1.772 3.925 4.401 1.00 0.00 H new ATOM 0 HB VAL A 163 2.260 4.425 2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 163 0.351 3.234 1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 163 0.865 2.493 2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -0.593 3.512 2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.628 5.658 0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -0.304 6.046 2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 163 1.344 6.687 1.916 1.00 0.00 H new ATOM 566 N MET A 164 3.570 5.723 4.351 1.00 0.00 N ATOM 567 CA MET A 164 4.554 6.768 4.601 1.00 0.00 C ATOM 568 C MET A 164 5.171 7.245 3.290 1.00 0.00 C ATOM 569 O MET A 164 5.976 6.542 2.679 1.00 0.00 O ATOM 570 CB MET A 164 5.647 6.258 5.544 1.00 0.00 C ATOM 571 CG MET A 164 6.485 5.133 4.958 1.00 0.00 C ATOM 572 SD MET A 164 8.162 5.656 4.541 1.00 0.00 S ATOM 573 CE MET A 164 9.047 5.158 6.015 1.00 0.00 C ATOM 0 H MET A 164 3.957 4.781 4.304 1.00 0.00 H new ATOM 0 HA MET A 164 4.049 7.610 5.075 1.00 0.00 H new ATOM 0 HB2 MET A 164 6.303 7.088 5.808 1.00 0.00 H new ATOM 0 HB3 MET A 164 5.184 5.911 6.468 1.00 0.00 H new ATOM 0 HG2 MET A 164 6.532 4.311 5.672 1.00 0.00 H new ATOM 0 HG3 MET A 164 5.995 4.749 4.063 1.00 0.00 H new ATOM 0 HE1 MET A 164 10.024 5.641 6.033 1.00 0.00 H new ATOM 0 HE2 MET A 164 8.480 5.454 6.897 1.00 0.00 H new ATOM 0 HE3 MET A 164 9.177 4.076 6.013 1.00 0.00 H new ATOM 583 N VAL A 165 4.780 8.440 2.859 1.00 0.00 N ATOM 584 CA VAL A 165 5.290 9.008 1.617 1.00 0.00 C ATOM 585 C VAL A 165 6.575 9.794 1.852 1.00 0.00 C ATOM 586 O VAL A 165 6.978 10.020 2.992 1.00 0.00 O ATOM 587 CB VAL A 165 4.252 9.934 0.956 1.00 0.00 C ATOM 588 CG1 VAL A 165 3.031 9.140 0.517 1.00 0.00 C ATOM 589 CG2 VAL A 165 3.857 11.056 1.904 1.00 0.00 C ATOM 0 H VAL A 165 4.112 9.033 3.351 1.00 0.00 H new ATOM 0 HA VAL A 165 5.499 8.170 0.952 1.00 0.00 H new ATOM 0 HB VAL A 165 4.702 10.381 0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 165 2.309 9.811 0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 165 3.332 8.377 -0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 165 2.576 8.662 1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 165 3.123 11.700 1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 165 3.425 10.631 2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 165 4.739 11.642 2.162 1.00 0.00 H new ATOM 599 N THR A 166 7.213 10.209 0.762 1.00 0.00 N ATOM 600 CA THR A 166 8.451 10.973 0.843 1.00 0.00 C ATOM 601 C THR A 166 8.561 11.946 -0.327 1.00 0.00 C ATOM 602 O THR A 166 8.861 11.549 -1.453 1.00 0.00 O ATOM 603 CB THR A 166 9.655 10.030 0.853 1.00 0.00 C ATOM 604 OG1 THR A 166 9.696 9.254 -0.331 1.00 0.00 O ATOM 605 CG2 THR A 166 9.658 9.076 2.027 1.00 0.00 C ATOM 0 H THR A 166 6.892 10.028 -0.189 1.00 0.00 H new ATOM 0 HA THR A 166 8.440 11.545 1.771 1.00 0.00 H new ATOM 0 HB THR A 166 10.528 10.678 0.930 1.00 0.00 H new ATOM 0 HG1 THR A 166 9.449 9.813 -1.097 1.00 0.00 H new ATOM 0 HG21 THR A 166 10.539 8.436 1.973 1.00 0.00 H new ATOM 0 HG22 THR A 166 9.678 9.644 2.957 1.00 0.00 H new ATOM 0 HG23 THR A 166 8.759 8.460 1.998 1.00 0.00 H new ATOM 613 N ILE A 167 8.313 13.222 -0.052 1.00 0.00 N ATOM 614 CA ILE A 167 8.381 14.251 -1.082 1.00 0.00 C ATOM 615 C ILE A 167 9.822 14.669 -1.350 1.00 0.00 C ATOM 616 O ILE A 167 10.315 15.641 -0.777 1.00 0.00 O ATOM 617 CB ILE A 167 7.561 15.496 -0.688 1.00 0.00 C ATOM 618 CG1 ILE A 167 6.154 15.090 -0.241 1.00 0.00 C ATOM 619 CG2 ILE A 167 7.493 16.476 -1.849 1.00 0.00 C ATOM 620 CD1 ILE A 167 5.948 15.168 1.255 1.00 0.00 C ATOM 0 H ILE A 167 8.063 13.568 0.875 1.00 0.00 H new ATOM 0 HA ILE A 167 7.958 13.818 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 167 8.058 15.988 0.148 1.00 0.00 H new ATOM 0 HG12 ILE A 167 5.425 15.734 -0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 167 5.956 14.071 -0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 167 6.911 17.349 -1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 167 8.501 16.787 -2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 167 7.018 15.995 -2.704 1.00 0.00 H new ATOM 0 HD11 ILE A 167 4.929 14.866 1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 167 6.652 14.503 1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 167 6.114 16.191 1.592 1.00 0.00 H new ATOM 632 N PHE A 168 10.494 13.927 -2.225 1.00 0.00 N ATOM 633 CA PHE A 168 11.881 14.217 -2.572 1.00 0.00 C ATOM 634 C PHE A 168 12.775 14.169 -1.335 1.00 0.00 C ATOM 635 O PHE A 168 13.770 14.889 -1.247 1.00 0.00 O ATOM 636 CB PHE A 168 11.983 15.590 -3.242 1.00 0.00 C ATOM 637 CG PHE A 168 12.183 15.515 -4.731 1.00 0.00 C ATOM 638 CD1 PHE A 168 11.158 15.091 -5.560 1.00 0.00 C ATOM 639 CD2 PHE A 168 13.397 15.870 -5.296 1.00 0.00 C ATOM 640 CE1 PHE A 168 11.339 15.022 -6.928 1.00 0.00 C ATOM 641 CE2 PHE A 168 13.584 15.802 -6.664 1.00 0.00 C ATOM 642 CZ PHE A 168 12.554 15.377 -7.481 1.00 0.00 C ATOM 0 H PHE A 168 10.100 13.119 -2.707 1.00 0.00 H new ATOM 0 HA PHE A 168 12.223 13.454 -3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 168 11.075 16.156 -3.033 1.00 0.00 H new ATOM 0 HB3 PHE A 168 12.812 16.142 -2.799 1.00 0.00 H new ATOM 0 HD1 PHE A 168 10.207 14.811 -5.132 1.00 0.00 H new ATOM 0 HD2 PHE A 168 14.205 16.203 -4.662 1.00 0.00 H new ATOM 0 HE1 PHE A 168 10.532 14.691 -7.564 1.00 0.00 H new ATOM 0 HE2 PHE A 168 14.535 16.081 -7.094 1.00 0.00 H new ATOM 0 HZ PHE A 168 12.699 15.322 -8.550 1.00 0.00 H new ATOM 652 N GLY A 169 12.415 13.316 -0.383 1.00 0.00 N ATOM 653 CA GLY A 169 13.195 13.189 0.833 1.00 0.00 C ATOM 654 C GLY A 169 12.522 13.838 2.026 1.00 0.00 C ATOM 655 O GLY A 169 13.190 14.401 2.895 1.00 0.00 O ATOM 0 H GLY A 169 11.596 12.710 -0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 169 13.362 12.133 1.045 1.00 0.00 H new ATOM 0 HA3 GLY A 169 14.174 13.643 0.681 1.00 0.00 H new ATOM 659 N ARG A 170 11.195 13.761 2.069 1.00 0.00 N ATOM 660 CA ARG A 170 10.432 14.346 3.164 1.00 0.00 C ATOM 661 C ARG A 170 9.352 13.384 3.649 1.00 0.00 C ATOM 662 O ARG A 170 8.236 13.376 3.130 1.00 0.00 O ATOM 663 CB ARG A 170 9.798 15.667 2.724 1.00 0.00 C ATOM 664 CG ARG A 170 10.813 16.730 2.339 1.00 0.00 C ATOM 665 CD ARG A 170 10.230 17.729 1.352 1.00 0.00 C ATOM 666 NE ARG A 170 11.183 18.086 0.305 1.00 0.00 N ATOM 667 CZ ARG A 170 12.171 18.962 0.468 1.00 0.00 C ATOM 668 NH1 ARG A 170 12.341 19.573 1.634 1.00 0.00 N ATOM 669 NH2 ARG A 170 12.993 19.229 -0.538 1.00 0.00 N ATOM 0 H ARG A 170 10.627 13.299 1.358 1.00 0.00 H new ATOM 0 HA ARG A 170 11.117 14.539 3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 170 9.141 15.480 1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 170 9.174 16.048 3.532 1.00 0.00 H new ATOM 0 HG2 ARG A 170 11.148 17.255 3.234 1.00 0.00 H new ATOM 0 HG3 ARG A 170 11.690 16.254 1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 170 9.333 17.308 0.897 1.00 0.00 H new ATOM 0 HD3 ARG A 170 9.924 18.629 1.886 1.00 0.00 H new ATOM 0 HE ARG A 170 11.085 17.637 -0.606 1.00 0.00 H new ATOM 0 HH11 ARG A 170 11.712 19.372 2.412 1.00 0.00 H new ATOM 0 HH12 ARG A 170 13.100 20.244 1.752 1.00 0.00 H new ATOM 0 HH21 ARG A 170 12.868 18.763 -1.437 1.00 0.00 H new ATOM 0 HH22 ARG A 170 13.750 19.901 -0.413 1.00 0.00 H new ATOM 683 N GLU A 171 9.693 12.573 4.646 1.00 0.00 N ATOM 684 CA GLU A 171 8.754 11.606 5.201 1.00 0.00 C ATOM 685 C GLU A 171 7.506 12.303 5.734 1.00 0.00 C ATOM 686 O GLU A 171 7.596 13.340 6.392 1.00 0.00 O ATOM 687 CB GLU A 171 9.419 10.799 6.319 1.00 0.00 C ATOM 688 CG GLU A 171 9.993 9.473 5.852 1.00 0.00 C ATOM 689 CD GLU A 171 9.711 8.340 6.821 1.00 0.00 C ATOM 690 OE1 GLU A 171 8.557 7.866 6.860 1.00 0.00 O ATOM 691 OE2 GLU A 171 10.645 7.930 7.542 1.00 0.00 O ATOM 0 H GLU A 171 10.613 12.567 5.086 1.00 0.00 H new ATOM 0 HA GLU A 171 8.456 10.928 4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 171 10.217 11.395 6.761 1.00 0.00 H new ATOM 0 HB3 GLU A 171 8.688 10.612 7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 171 9.575 9.224 4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 171 11.070 9.574 5.721 1.00 0.00 H new ATOM 698 N THR A 172 6.343 11.728 5.445 1.00 0.00 N ATOM 699 CA THR A 172 5.079 12.296 5.895 1.00 0.00 C ATOM 700 C THR A 172 3.972 11.242 5.889 1.00 0.00 C ATOM 701 O THR A 172 3.458 10.882 4.830 1.00 0.00 O ATOM 702 CB THR A 172 4.681 13.472 5.001 1.00 0.00 C ATOM 703 OG1 THR A 172 5.764 14.373 4.847 1.00 0.00 O ATOM 704 CG2 THR A 172 3.504 14.259 5.536 1.00 0.00 C ATOM 0 H THR A 172 6.251 10.870 4.902 1.00 0.00 H new ATOM 0 HA THR A 172 5.212 12.650 6.917 1.00 0.00 H new ATOM 0 HB THR A 172 4.397 13.027 4.047 1.00 0.00 H new ATOM 0 HG1 THR A 172 6.355 14.310 5.626 1.00 0.00 H new ATOM 0 HG21 THR A 172 3.274 15.078 4.855 1.00 0.00 H new ATOM 0 HG22 THR A 172 2.637 13.604 5.622 1.00 0.00 H new ATOM 0 HG23 THR A 172 3.752 14.663 6.518 1.00 0.00 H new ATOM 712 N PRO A 173 3.587 10.734 7.074 1.00 0.00 N ATOM 713 CA PRO A 173 2.533 9.718 7.188 1.00 0.00 C ATOM 714 C PRO A 173 1.156 10.280 6.854 1.00 0.00 C ATOM 715 O PRO A 173 0.570 11.022 7.641 1.00 0.00 O ATOM 716 CB PRO A 173 2.599 9.300 8.659 1.00 0.00 C ATOM 717 CG PRO A 173 3.185 10.474 9.362 1.00 0.00 C ATOM 718 CD PRO A 173 4.142 11.106 8.390 1.00 0.00 C ATOM 0 HA PRO A 173 2.682 8.893 6.492 1.00 0.00 H new ATOM 0 HB2 PRO A 173 1.609 9.060 9.047 1.00 0.00 H new ATOM 0 HB3 PRO A 173 3.217 8.411 8.790 1.00 0.00 H new ATOM 0 HG2 PRO A 173 2.408 11.179 9.658 1.00 0.00 H new ATOM 0 HG3 PRO A 173 3.700 10.166 10.272 1.00 0.00 H new ATOM 0 HD2 PRO A 173 4.187 12.188 8.516 1.00 0.00 H new ATOM 0 HD3 PRO A 173 5.156 10.727 8.520 1.00 0.00 H new ATOM 726 N VAL A 174 0.646 9.924 5.680 1.00 0.00 N ATOM 727 CA VAL A 174 -0.662 10.396 5.241 1.00 0.00 C ATOM 728 C VAL A 174 -1.596 9.231 4.937 1.00 0.00 C ATOM 729 O VAL A 174 -1.206 8.261 4.286 1.00 0.00 O ATOM 730 CB VAL A 174 -0.544 11.285 3.987 1.00 0.00 C ATOM 731 CG1 VAL A 174 -1.883 11.920 3.651 1.00 0.00 C ATOM 732 CG2 VAL A 174 0.525 12.350 4.188 1.00 0.00 C ATOM 0 H VAL A 174 1.118 9.311 5.016 1.00 0.00 H new ATOM 0 HA VAL A 174 -1.077 10.984 6.060 1.00 0.00 H new ATOM 0 HB VAL A 174 -0.248 10.657 3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 174 -1.778 12.543 2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 174 -2.619 11.139 3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 174 -2.215 12.534 4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 174 0.595 12.969 3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 174 0.260 12.975 5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 174 1.486 11.870 4.374 1.00 0.00 H new ATOM 742 N GLU A 175 -2.835 9.335 5.408 1.00 0.00 N ATOM 743 CA GLU A 175 -3.831 8.294 5.182 1.00 0.00 C ATOM 744 C GLU A 175 -4.558 8.523 3.862 1.00 0.00 C ATOM 745 O GLU A 175 -4.881 9.657 3.510 1.00 0.00 O ATOM 746 CB GLU A 175 -4.834 8.256 6.337 1.00 0.00 C ATOM 747 CG GLU A 175 -5.404 9.620 6.692 1.00 0.00 C ATOM 748 CD GLU A 175 -6.592 9.527 7.629 1.00 0.00 C ATOM 749 OE1 GLU A 175 -6.399 9.125 8.795 1.00 0.00 O ATOM 750 OE2 GLU A 175 -7.716 9.860 7.197 1.00 0.00 O ATOM 0 H GLU A 175 -3.173 10.131 5.949 1.00 0.00 H new ATOM 0 HA GLU A 175 -3.317 7.334 5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 175 -5.653 7.586 6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 175 -4.347 7.835 7.217 1.00 0.00 H new ATOM 0 HG2 GLU A 175 -4.626 10.226 7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 175 -5.705 10.133 5.779 1.00 0.00 H new ATOM 757 N LEU A 176 -4.807 7.440 3.133 1.00 0.00 N ATOM 758 CA LEU A 176 -5.491 7.528 1.845 1.00 0.00 C ATOM 759 C LEU A 176 -6.394 6.331 1.619 1.00 0.00 C ATOM 760 O LEU A 176 -6.718 5.588 2.545 1.00 0.00 O ATOM 761 CB LEU A 176 -4.482 7.572 0.695 1.00 0.00 C ATOM 762 CG LEU A 176 -3.025 7.799 1.102 1.00 0.00 C ATOM 763 CD1 LEU A 176 -2.395 6.493 1.559 1.00 0.00 C ATOM 764 CD2 LEU A 176 -2.236 8.399 -0.054 1.00 0.00 C ATOM 0 H LEU A 176 -4.547 6.493 3.410 1.00 0.00 H new ATOM 0 HA LEU A 176 -6.084 8.443 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -4.545 6.633 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -4.776 8.365 0.007 1.00 0.00 H new ATOM 0 HG LEU A 176 -3.002 8.503 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -1.358 6.670 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -2.946 6.103 2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -2.428 5.769 0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -1.202 8.554 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -2.264 7.719 -0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -2.677 9.354 -0.338 1.00 0.00 H new ATOM 776 N ASP A 177 -6.765 6.138 0.359 1.00 0.00 N ATOM 777 CA ASP A 177 -7.591 5.022 -0.027 1.00 0.00 C ATOM 778 C ASP A 177 -7.142 4.489 -1.382 1.00 0.00 C ATOM 779 O ASP A 177 -6.493 5.192 -2.153 1.00 0.00 O ATOM 780 CB ASP A 177 -9.068 5.424 -0.075 1.00 0.00 C ATOM 781 CG ASP A 177 -9.481 6.261 1.121 1.00 0.00 C ATOM 782 OD1 ASP A 177 -9.171 5.860 2.262 1.00 0.00 O ATOM 783 OD2 ASP A 177 -10.116 7.316 0.914 1.00 0.00 O ATOM 0 H ASP A 177 -6.499 6.751 -0.412 1.00 0.00 H new ATOM 0 HA ASP A 177 -7.481 4.236 0.720 1.00 0.00 H new ATOM 0 HB2 ASP A 177 -9.259 5.984 -0.990 1.00 0.00 H new ATOM 0 HB3 ASP A 177 -9.685 4.526 -0.116 1.00 0.00 H new ATOM 788 N PHE A 178 -7.480 3.238 -1.655 1.00 0.00 N ATOM 789 CA PHE A 178 -7.108 2.592 -2.913 1.00 0.00 C ATOM 790 C PHE A 178 -7.403 3.494 -4.113 1.00 0.00 C ATOM 791 O PHE A 178 -6.681 3.469 -5.111 1.00 0.00 O ATOM 792 CB PHE A 178 -7.856 1.266 -3.066 1.00 0.00 C ATOM 793 CG PHE A 178 -7.073 0.076 -2.592 1.00 0.00 C ATOM 794 CD1 PHE A 178 -6.466 0.079 -1.346 1.00 0.00 C ATOM 795 CD2 PHE A 178 -6.942 -1.047 -3.395 1.00 0.00 C ATOM 796 CE1 PHE A 178 -5.744 -1.016 -0.909 1.00 0.00 C ATOM 797 CE2 PHE A 178 -6.222 -2.144 -2.963 1.00 0.00 C ATOM 798 CZ PHE A 178 -5.622 -2.129 -1.719 1.00 0.00 C ATOM 0 H PHE A 178 -8.014 2.644 -1.021 1.00 0.00 H new ATOM 0 HA PHE A 178 -6.035 2.403 -2.885 1.00 0.00 H new ATOM 0 HB2 PHE A 178 -8.792 1.320 -2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 178 -8.117 1.124 -4.115 1.00 0.00 H new ATOM 0 HD1 PHE A 178 -6.558 0.946 -0.709 1.00 0.00 H new ATOM 0 HD2 PHE A 178 -7.408 -1.064 -4.369 1.00 0.00 H new ATOM 0 HE1 PHE A 178 -5.276 -1.002 0.064 1.00 0.00 H new ATOM 0 HE2 PHE A 178 -6.128 -3.013 -3.598 1.00 0.00 H new ATOM 0 HZ PHE A 178 -5.058 -2.986 -1.380 1.00 0.00 H new ATOM 808 N SER A 179 -8.466 4.286 -4.010 1.00 0.00 N ATOM 809 CA SER A 179 -8.857 5.189 -5.089 1.00 0.00 C ATOM 810 C SER A 179 -7.906 6.384 -5.194 1.00 0.00 C ATOM 811 O SER A 179 -7.985 7.164 -6.144 1.00 0.00 O ATOM 812 CB SER A 179 -10.289 5.683 -4.870 1.00 0.00 C ATOM 813 OG SER A 179 -11.205 4.968 -5.682 1.00 0.00 O ATOM 0 H SER A 179 -9.072 4.321 -3.191 1.00 0.00 H new ATOM 0 HA SER A 179 -8.803 4.631 -6.024 1.00 0.00 H new ATOM 0 HB2 SER A 179 -10.561 5.567 -3.821 1.00 0.00 H new ATOM 0 HB3 SER A 179 -10.349 6.747 -5.099 1.00 0.00 H new ATOM 0 HG SER A 179 -12.113 5.301 -5.522 1.00 0.00 H new ATOM 819 N GLN A 180 -7.014 6.523 -4.219 1.00 0.00 N ATOM 820 CA GLN A 180 -6.056 7.625 -4.209 1.00 0.00 C ATOM 821 C GLN A 180 -4.630 7.132 -4.456 1.00 0.00 C ATOM 822 O GLN A 180 -3.727 7.926 -4.718 1.00 0.00 O ATOM 823 CB GLN A 180 -6.123 8.368 -2.872 1.00 0.00 C ATOM 824 CG GLN A 180 -7.503 8.915 -2.549 1.00 0.00 C ATOM 825 CD GLN A 180 -7.650 10.380 -2.910 1.00 0.00 C ATOM 826 OE1 GLN A 180 -6.744 11.181 -2.682 1.00 0.00 O ATOM 827 NE2 GLN A 180 -8.796 10.739 -3.478 1.00 0.00 N ATOM 0 H GLN A 180 -6.934 5.887 -3.425 1.00 0.00 H new ATOM 0 HA GLN A 180 -6.323 8.305 -5.018 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -5.813 7.693 -2.075 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -5.409 9.192 -2.887 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -8.254 8.335 -3.086 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -7.701 8.785 -1.485 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -9.521 10.042 -3.649 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -8.951 11.712 -3.743 1.00 0.00 H new ATOM 836 N VAL A 181 -4.429 5.817 -4.372 1.00 0.00 N ATOM 837 CA VAL A 181 -3.108 5.237 -4.586 1.00 0.00 C ATOM 838 C VAL A 181 -3.158 4.106 -5.608 1.00 0.00 C ATOM 839 O VAL A 181 -4.232 3.714 -6.064 1.00 0.00 O ATOM 840 CB VAL A 181 -2.511 4.698 -3.272 1.00 0.00 C ATOM 841 CG1 VAL A 181 -2.071 5.844 -2.375 1.00 0.00 C ATOM 842 CG2 VAL A 181 -3.511 3.803 -2.556 1.00 0.00 C ATOM 0 H VAL A 181 -5.160 5.139 -4.159 1.00 0.00 H new ATOM 0 HA VAL A 181 -2.473 6.037 -4.966 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.633 4.099 -3.514 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -1.652 5.443 -1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -1.315 6.438 -2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -2.930 6.473 -2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -3.070 3.433 -1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -4.411 4.374 -2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -3.770 2.960 -3.197 1.00 0.00 H new ATOM 852 N VAL A 182 -1.986 3.586 -5.963 1.00 0.00 N ATOM 853 CA VAL A 182 -1.894 2.500 -6.933 1.00 0.00 C ATOM 854 C VAL A 182 -0.773 1.533 -6.567 1.00 0.00 C ATOM 855 O VAL A 182 0.253 1.934 -6.016 1.00 0.00 O ATOM 856 CB VAL A 182 -1.648 3.035 -8.355 1.00 0.00 C ATOM 857 CG1 VAL A 182 -2.823 3.882 -8.817 1.00 0.00 C ATOM 858 CG2 VAL A 182 -0.353 3.834 -8.413 1.00 0.00 C ATOM 0 H VAL A 182 -1.088 3.899 -5.594 1.00 0.00 H new ATOM 0 HA VAL A 182 -2.849 1.975 -6.911 1.00 0.00 H new ATOM 0 HB VAL A 182 -1.553 2.184 -9.029 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.631 4.252 -9.824 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -3.729 3.277 -8.819 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -2.952 4.726 -8.139 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.198 4.203 -9.427 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -0.415 4.677 -7.725 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.482 3.194 -8.128 1.00 0.00 H new ATOM 868 N LYS A 183 -0.974 0.257 -6.877 1.00 0.00 N ATOM 869 CA LYS A 183 0.020 -0.767 -6.582 1.00 0.00 C ATOM 870 C LYS A 183 1.127 -0.769 -7.630 1.00 0.00 C ATOM 871 O LYS A 183 0.866 -0.904 -8.825 1.00 0.00 O ATOM 872 CB LYS A 183 -0.640 -2.146 -6.519 1.00 0.00 C ATOM 873 CG LYS A 183 0.199 -3.188 -5.799 1.00 0.00 C ATOM 874 CD LYS A 183 1.217 -3.828 -6.730 1.00 0.00 C ATOM 875 CE LYS A 183 2.606 -3.847 -6.112 1.00 0.00 C ATOM 876 NZ LYS A 183 2.923 -5.164 -5.496 1.00 0.00 N ATOM 0 H LYS A 183 -1.817 -0.093 -7.333 1.00 0.00 H new ATOM 0 HA LYS A 183 0.462 -0.539 -5.612 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -1.603 -2.056 -6.016 1.00 0.00 H new ATOM 0 HB3 LYS A 183 -0.841 -2.491 -7.533 1.00 0.00 H new ATOM 0 HG2 LYS A 183 0.715 -2.723 -4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -0.452 -3.958 -5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 183 0.908 -4.847 -6.963 1.00 0.00 H new ATOM 0 HD3 LYS A 183 1.245 -3.280 -7.672 1.00 0.00 H new ATOM 0 HE2 LYS A 183 3.347 -3.617 -6.878 1.00 0.00 H new ATOM 0 HE3 LYS A 183 2.677 -3.066 -5.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 3.355 -5.015 -4.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 2.049 -5.717 -5.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 3.587 -5.682 -6.106 1.00 0.00 H new ATOM 890 N ALA A 184 2.365 -0.617 -7.173 1.00 0.00 N ATOM 891 CA ALA A 184 3.516 -0.601 -8.070 1.00 0.00 C ATOM 892 C ALA A 184 4.738 -1.223 -7.405 1.00 0.00 C ATOM 893 O ALA A 184 5.195 -0.677 -6.379 1.00 0.00 O ATOM 894 CB ALA A 184 3.819 0.823 -8.512 1.00 0.00 C ATOM 895 OXT ALA A 184 5.228 -2.252 -7.916 1.00 0.00 O ATOM 0 H ALA A 184 2.598 -0.503 -6.187 1.00 0.00 H new ATOM 0 HA ALA A 184 3.271 -1.198 -8.948 1.00 0.00 H new ATOM 0 HB1 ALA A 184 4.680 0.821 -9.181 1.00 0.00 H new ATOM 0 HB2 ALA A 184 2.955 1.234 -9.034 1.00 0.00 H new ATOM 0 HB3 ALA A 184 4.040 1.436 -7.638 1.00 0.00 H new TER 901 ALA A 184