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 136 GLN : amide:sc= -2.14! C(o=-2.1!,f=-2.7!) USER MOD Set 1.2: A 148 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 150 THR OG1 : rot -41:sc= 0.0355 USER MOD Single : A 128 GLN : amide:sc=-0.00164 X(o=-0.0016,f=-0.21) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 152 THR OG1 : rot 180:sc= 0.00894 USER MOD Single : A 155 ASN : amide:sc= -0.225 X(o=-0.23,f=-0.63) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0196) USER MOD Single : A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 166 THR OG1 : rot 180:sc= 0 USER MOD Single : A 172 THR OG1 : rot -137:sc= -0.831 USER MOD Single : A 179 SER OG : rot 180:sc= 0 USER MOD Single : A 180 GLN : amide:sc= -0.487 X(o=-0.49,f=-0.38) USER MOD Single : A 183 LYS NZ :NH3+ 171:sc= -0.0293 (180deg=-0.0512) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 127 -4.659 -10.272 -14.859 1.00 0.00 N ATOM 2 CA ALA A 127 -6.014 -10.113 -14.267 1.00 0.00 C ATOM 3 C ALA A 127 -5.960 -10.193 -12.746 1.00 0.00 C ATOM 4 O ALA A 127 -6.497 -9.332 -12.048 1.00 0.00 O ATOM 5 CB ALA A 127 -6.956 -11.171 -14.818 1.00 0.00 C ATOM 0 HA ALA A 127 -6.391 -9.127 -14.541 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -7.944 -11.044 -14.377 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -7.026 -11.067 -15.901 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -6.574 -12.162 -14.572 1.00 0.00 H new ATOM 13 N GLN A 128 -5.309 -11.234 -12.236 1.00 0.00 N ATOM 14 CA GLN A 128 -5.186 -11.427 -10.796 1.00 0.00 C ATOM 15 C GLN A 128 -4.460 -10.251 -10.148 1.00 0.00 C ATOM 16 O GLN A 128 -3.352 -9.896 -10.550 1.00 0.00 O ATOM 17 CB GLN A 128 -4.439 -12.729 -10.497 1.00 0.00 C ATOM 18 CG GLN A 128 -4.686 -13.263 -9.096 1.00 0.00 C ATOM 19 CD GLN A 128 -5.483 -14.554 -9.094 1.00 0.00 C ATOM 20 OE1 GLN A 128 -6.411 -14.725 -9.883 1.00 0.00 O ATOM 21 NE2 GLN A 128 -5.121 -15.472 -8.205 1.00 0.00 N ATOM 0 H GLN A 128 -4.859 -11.956 -12.798 1.00 0.00 H new ATOM 0 HA GLN A 128 -6.190 -11.487 -10.376 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -4.738 -13.485 -11.223 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -3.370 -12.564 -10.631 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -3.729 -13.431 -8.601 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -5.218 -12.511 -8.514 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -4.345 -15.288 -7.569 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -5.619 -16.361 -8.158 1.00 0.00 H new ATOM 30 N VAL A 129 -5.093 -9.651 -9.147 1.00 0.00 N ATOM 31 CA VAL A 129 -4.508 -8.516 -8.444 1.00 0.00 C ATOM 32 C VAL A 129 -4.652 -8.671 -6.934 1.00 0.00 C ATOM 33 O VAL A 129 -5.606 -8.171 -6.337 1.00 0.00 O ATOM 34 CB VAL A 129 -5.161 -7.190 -8.876 1.00 0.00 C ATOM 35 CG1 VAL A 129 -4.801 -6.860 -10.317 1.00 0.00 C ATOM 36 CG2 VAL A 129 -6.669 -7.256 -8.697 1.00 0.00 C ATOM 0 H VAL A 129 -6.012 -9.932 -8.804 1.00 0.00 H new ATOM 0 HA VAL A 129 -3.450 -8.494 -8.706 1.00 0.00 H new ATOM 0 HB VAL A 129 -4.777 -6.393 -8.240 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -5.272 -5.920 -10.603 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -3.719 -6.767 -10.410 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -5.154 -7.657 -10.972 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -7.114 -6.311 -9.007 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -7.073 -8.064 -9.307 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -6.903 -7.441 -7.649 1.00 0.00 H new ATOM 46 N ALA A 130 -3.701 -9.367 -6.322 1.00 0.00 N ATOM 47 CA ALA A 130 -3.722 -9.589 -4.881 1.00 0.00 C ATOM 48 C ALA A 130 -2.988 -8.474 -4.144 1.00 0.00 C ATOM 49 O ALA A 130 -2.054 -7.875 -4.675 1.00 0.00 O ATOM 50 CB ALA A 130 -3.108 -10.940 -4.545 1.00 0.00 C ATOM 0 H ALA A 130 -2.905 -9.788 -6.802 1.00 0.00 H new ATOM 0 HA ALA A 130 -4.761 -9.584 -4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -3.131 -11.092 -3.466 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -3.677 -11.730 -5.035 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -2.076 -10.967 -4.894 1.00 0.00 H new ATOM 56 N PHE A 131 -3.417 -8.203 -2.915 1.00 0.00 N ATOM 57 CA PHE A 131 -2.800 -7.160 -2.103 1.00 0.00 C ATOM 58 C PHE A 131 -2.198 -7.746 -0.830 1.00 0.00 C ATOM 59 O PHE A 131 -2.683 -8.749 -0.307 1.00 0.00 O ATOM 60 CB PHE A 131 -3.829 -6.086 -1.746 1.00 0.00 C ATOM 61 CG PHE A 131 -3.219 -4.746 -1.450 1.00 0.00 C ATOM 62 CD1 PHE A 131 -2.837 -3.900 -2.478 1.00 0.00 C ATOM 63 CD2 PHE A 131 -3.028 -4.332 -0.141 1.00 0.00 C ATOM 64 CE1 PHE A 131 -2.276 -2.667 -2.208 1.00 0.00 C ATOM 65 CE2 PHE A 131 -2.466 -3.100 0.136 1.00 0.00 C ATOM 66 CZ PHE A 131 -2.089 -2.266 -0.899 1.00 0.00 C ATOM 0 H PHE A 131 -4.189 -8.691 -2.460 1.00 0.00 H new ATOM 0 HA PHE A 131 -1.999 -6.706 -2.687 1.00 0.00 H new ATOM 0 HB2 PHE A 131 -4.534 -5.981 -2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 131 -4.400 -6.416 -0.878 1.00 0.00 H new ATOM 0 HD1 PHE A 131 -2.980 -4.208 -3.503 1.00 0.00 H new ATOM 0 HD2 PHE A 131 -3.322 -4.980 0.672 1.00 0.00 H new ATOM 0 HE1 PHE A 131 -1.984 -2.017 -3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 131 -2.322 -2.790 1.160 1.00 0.00 H new ATOM 0 HZ PHE A 131 -1.649 -1.303 -0.685 1.00 0.00 H new ATOM 76 N ARG A 132 -1.138 -7.114 -0.336 1.00 0.00 N ATOM 77 CA ARG A 132 -0.470 -7.572 0.876 1.00 0.00 C ATOM 78 C ARG A 132 0.232 -6.414 1.581 1.00 0.00 C ATOM 79 O ARG A 132 0.711 -5.481 0.937 1.00 0.00 O ATOM 80 CB ARG A 132 0.541 -8.668 0.542 1.00 0.00 C ATOM 81 CG ARG A 132 0.831 -9.603 1.704 1.00 0.00 C ATOM 82 CD ARG A 132 -0.199 -10.719 1.794 1.00 0.00 C ATOM 83 NE ARG A 132 0.094 -11.809 0.868 1.00 0.00 N ATOM 84 CZ ARG A 132 -0.711 -12.853 0.674 1.00 0.00 C ATOM 85 NH1 ARG A 132 -1.856 -12.951 1.338 1.00 0.00 N ATOM 86 NH2 ARG A 132 -0.368 -13.802 -0.187 1.00 0.00 N ATOM 0 H ARG A 132 -0.723 -6.283 -0.757 1.00 0.00 H new ATOM 0 HA ARG A 132 -1.227 -7.978 1.547 1.00 0.00 H new ATOM 0 HB2 ARG A 132 0.167 -9.252 -0.299 1.00 0.00 H new ATOM 0 HB3 ARG A 132 1.473 -8.205 0.218 1.00 0.00 H new ATOM 0 HG2 ARG A 132 1.826 -10.033 1.586 1.00 0.00 H new ATOM 0 HG3 ARG A 132 0.837 -9.036 2.635 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -0.226 -11.106 2.813 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -1.189 -10.317 1.579 1.00 0.00 H new ATOM 0 HE ARG A 132 0.965 -11.769 0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -2.124 -12.224 2.002 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -2.467 -13.753 1.185 1.00 0.00 H new ATOM 0 HH21 ARG A 132 0.511 -13.732 -0.700 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -0.983 -14.602 -0.336 1.00 0.00 H new ATOM 100 N GLU A 133 0.287 -6.483 2.906 1.00 0.00 N ATOM 101 CA GLU A 133 0.930 -5.441 3.700 1.00 0.00 C ATOM 102 C GLU A 133 2.410 -5.327 3.350 1.00 0.00 C ATOM 103 O GLU A 133 3.068 -6.324 3.057 1.00 0.00 O ATOM 104 CB GLU A 133 0.767 -5.737 5.192 1.00 0.00 C ATOM 105 CG GLU A 133 1.434 -7.028 5.634 1.00 0.00 C ATOM 106 CD GLU A 133 2.173 -6.883 6.950 1.00 0.00 C ATOM 107 OE1 GLU A 133 1.535 -6.494 7.950 1.00 0.00 O ATOM 108 OE2 GLU A 133 3.392 -7.158 6.981 1.00 0.00 O ATOM 0 H GLU A 133 -0.105 -7.249 3.454 1.00 0.00 H new ATOM 0 HA GLU A 133 0.447 -4.491 3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 133 1.183 -4.909 5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -0.296 -5.787 5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 133 0.679 -7.808 5.730 1.00 0.00 H new ATOM 0 HG3 GLU A 133 2.133 -7.354 4.863 1.00 0.00 H new ATOM 115 N GLY A 134 2.927 -4.102 3.382 1.00 0.00 N ATOM 116 CA GLY A 134 4.325 -3.880 3.066 1.00 0.00 C ATOM 117 C GLY A 134 4.536 -3.456 1.625 1.00 0.00 C ATOM 118 O GLY A 134 5.543 -2.827 1.298 1.00 0.00 O ATOM 0 H GLY A 134 2.402 -3.261 3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 134 4.726 -3.114 3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 134 4.887 -4.794 3.258 1.00 0.00 H new ATOM 122 N ASP A 135 3.586 -3.802 0.762 1.00 0.00 N ATOM 123 CA ASP A 135 3.673 -3.453 -0.652 1.00 0.00 C ATOM 124 C ASP A 135 3.805 -1.945 -0.836 1.00 0.00 C ATOM 125 O ASP A 135 3.536 -1.170 0.082 1.00 0.00 O ATOM 126 CB ASP A 135 2.441 -3.966 -1.401 1.00 0.00 C ATOM 127 CG ASP A 135 2.652 -5.346 -1.987 1.00 0.00 C ATOM 128 OD1 ASP A 135 3.163 -6.227 -1.263 1.00 0.00 O ATOM 129 OD2 ASP A 135 2.307 -5.549 -3.170 1.00 0.00 O ATOM 0 H ASP A 135 2.747 -4.324 1.017 1.00 0.00 H new ATOM 0 HA ASP A 135 4.564 -3.928 -1.063 1.00 0.00 H new ATOM 0 HB2 ASP A 135 1.590 -3.990 -0.720 1.00 0.00 H new ATOM 0 HB3 ASP A 135 2.190 -3.270 -2.201 1.00 0.00 H new ATOM 134 N GLN A 136 4.223 -1.535 -2.031 1.00 0.00 N ATOM 135 CA GLN A 136 4.393 -0.118 -2.336 1.00 0.00 C ATOM 136 C GLN A 136 3.519 0.295 -3.515 1.00 0.00 C ATOM 137 O GLN A 136 3.396 -0.438 -4.497 1.00 0.00 O ATOM 138 CB GLN A 136 5.860 0.185 -2.643 1.00 0.00 C ATOM 139 CG GLN A 136 6.826 -0.363 -1.605 1.00 0.00 C ATOM 140 CD GLN A 136 7.037 0.591 -0.445 1.00 0.00 C ATOM 141 OE1 GLN A 136 6.832 1.798 -0.573 1.00 0.00 O ATOM 142 NE2 GLN A 136 7.450 0.052 0.696 1.00 0.00 N ATOM 0 H GLN A 136 4.450 -2.163 -2.802 1.00 0.00 H new ATOM 0 HA GLN A 136 4.085 0.456 -1.462 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.112 -0.233 -3.618 1.00 0.00 H new ATOM 0 HB3 GLN A 136 5.992 1.265 -2.715 1.00 0.00 H new ATOM 0 HG2 GLN A 136 6.447 -1.312 -1.226 1.00 0.00 H new ATOM 0 HG3 GLN A 136 7.785 -0.570 -2.080 1.00 0.00 H new ATOM 0 HE21 GLN A 136 7.607 -0.954 0.757 1.00 0.00 H new ATOM 0 HE22 GLN A 136 7.610 0.644 1.511 1.00 0.00 H new ATOM 151 N VAL A 137 2.914 1.473 -3.411 1.00 0.00 N ATOM 152 CA VAL A 137 2.050 1.987 -4.468 1.00 0.00 C ATOM 153 C VAL A 137 2.318 3.469 -4.715 1.00 0.00 C ATOM 154 O VAL A 137 2.540 4.232 -3.777 1.00 0.00 O ATOM 155 CB VAL A 137 0.563 1.800 -4.114 1.00 0.00 C ATOM 156 CG1 VAL A 137 0.201 0.323 -4.095 1.00 0.00 C ATOM 157 CG2 VAL A 137 0.250 2.451 -2.774 1.00 0.00 C ATOM 0 H VAL A 137 3.006 2.091 -2.605 1.00 0.00 H new ATOM 0 HA VAL A 137 2.275 1.420 -5.371 1.00 0.00 H new ATOM 0 HB VAL A 137 -0.040 2.288 -4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.853 0.210 -3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.388 -0.110 -5.078 1.00 0.00 H new ATOM 0 HG13 VAL A 137 0.809 -0.191 -3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.805 2.310 -2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 137 0.860 1.993 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.470 3.517 -2.827 1.00 0.00 H new ATOM 167 N ARG A 138 2.297 3.872 -5.984 1.00 0.00 N ATOM 168 CA ARG A 138 2.541 5.267 -6.341 1.00 0.00 C ATOM 169 C ARG A 138 1.292 6.114 -6.121 1.00 0.00 C ATOM 170 O ARG A 138 0.184 5.591 -5.998 1.00 0.00 O ATOM 171 CB ARG A 138 3.003 5.381 -7.797 1.00 0.00 C ATOM 172 CG ARG A 138 4.336 6.103 -7.958 1.00 0.00 C ATOM 173 CD ARG A 138 5.260 5.363 -8.914 1.00 0.00 C ATOM 174 NE ARG A 138 4.821 5.485 -10.303 1.00 0.00 N ATOM 175 CZ ARG A 138 4.984 6.584 -11.037 1.00 0.00 C ATOM 176 NH1 ARG A 138 5.574 7.654 -10.520 1.00 0.00 N ATOM 177 NH2 ARG A 138 4.557 6.611 -12.292 1.00 0.00 N ATOM 0 H ARG A 138 2.115 3.257 -6.777 1.00 0.00 H new ATOM 0 HA ARG A 138 3.332 5.643 -5.692 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.087 4.381 -8.222 1.00 0.00 H new ATOM 0 HB3 ARG A 138 2.241 5.909 -8.371 1.00 0.00 H new ATOM 0 HG2 ARG A 138 4.161 7.113 -8.328 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.819 6.199 -6.985 1.00 0.00 H new ATOM 0 HD2 ARG A 138 6.272 5.756 -8.818 1.00 0.00 H new ATOM 0 HD3 ARG A 138 5.300 4.309 -8.637 1.00 0.00 H new ATOM 0 HE ARG A 138 4.364 4.682 -10.735 1.00 0.00 H new ATOM 0 HH11 ARG A 138 5.905 7.638 -9.556 1.00 0.00 H new ATOM 0 HH12 ARG A 138 5.696 8.493 -11.087 1.00 0.00 H new ATOM 0 HH21 ARG A 138 4.104 5.790 -12.694 1.00 0.00 H new ATOM 0 HH22 ARG A 138 4.681 7.452 -12.855 1.00 0.00 H new ATOM 191 N VAL A 139 1.487 7.424 -6.070 1.00 0.00 N ATOM 192 CA VAL A 139 0.389 8.362 -5.857 1.00 0.00 C ATOM 193 C VAL A 139 -0.390 8.613 -7.150 1.00 0.00 C ATOM 194 O VAL A 139 0.160 8.509 -8.246 1.00 0.00 O ATOM 195 CB VAL A 139 0.914 9.701 -5.310 1.00 0.00 C ATOM 196 CG1 VAL A 139 -0.237 10.631 -4.959 1.00 0.00 C ATOM 197 CG2 VAL A 139 1.811 9.472 -4.103 1.00 0.00 C ATOM 0 H VAL A 139 2.401 7.865 -6.174 1.00 0.00 H new ATOM 0 HA VAL A 139 -0.283 7.912 -5.126 1.00 0.00 H new ATOM 0 HB VAL A 139 1.507 10.178 -6.090 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.159 11.571 -4.574 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -0.832 10.826 -5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.864 10.164 -4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.172 10.431 -3.731 1.00 0.00 H new ATOM 0 HG22 VAL A 139 1.245 8.969 -3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 139 2.660 8.852 -4.393 1.00 0.00 H new ATOM 207 N VAL A 140 -1.675 8.931 -7.009 1.00 0.00 N ATOM 208 CA VAL A 140 -2.539 9.180 -8.163 1.00 0.00 C ATOM 209 C VAL A 140 -2.599 10.661 -8.537 1.00 0.00 C ATOM 210 O VAL A 140 -2.956 11.007 -9.663 1.00 0.00 O ATOM 211 CB VAL A 140 -3.973 8.692 -7.893 1.00 0.00 C ATOM 212 CG1 VAL A 140 -3.987 7.194 -7.634 1.00 0.00 C ATOM 213 CG2 VAL A 140 -4.583 9.456 -6.722 1.00 0.00 C ATOM 0 H VAL A 140 -2.142 9.023 -6.107 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.100 8.625 -8.992 1.00 0.00 H new ATOM 0 HB VAL A 140 -4.580 8.886 -8.778 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.009 6.867 -7.445 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -3.594 6.670 -8.505 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -3.368 6.969 -6.766 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -5.597 9.099 -6.544 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -3.979 9.295 -5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -4.609 10.520 -6.956 1.00 0.00 H new ATOM 223 N SER A 141 -2.271 11.533 -7.589 1.00 0.00 N ATOM 224 CA SER A 141 -2.315 12.972 -7.834 1.00 0.00 C ATOM 225 C SER A 141 -1.088 13.440 -8.605 1.00 0.00 C ATOM 226 O SER A 141 -0.032 12.815 -8.546 1.00 0.00 O ATOM 227 CB SER A 141 -2.419 13.730 -6.510 1.00 0.00 C ATOM 228 OG SER A 141 -3.755 13.760 -6.041 1.00 0.00 O ATOM 0 H SER A 141 -1.973 11.272 -6.649 1.00 0.00 H new ATOM 0 HA SER A 141 -3.197 13.181 -8.440 1.00 0.00 H new ATOM 0 HB2 SER A 141 -1.780 13.256 -5.765 1.00 0.00 H new ATOM 0 HB3 SER A 141 -2.054 14.749 -6.641 1.00 0.00 H new ATOM 0 HG SER A 141 -3.793 14.249 -5.193 1.00 0.00 H new ATOM 234 N GLY A 142 -1.242 14.541 -9.336 1.00 0.00 N ATOM 235 CA GLY A 142 -0.145 15.079 -10.120 1.00 0.00 C ATOM 236 C GLY A 142 1.010 15.569 -9.266 1.00 0.00 C ATOM 237 O GLY A 142 2.119 15.041 -9.362 1.00 0.00 O ATOM 0 H GLY A 142 -2.111 15.071 -9.399 1.00 0.00 H new ATOM 0 HA2 GLY A 142 0.216 14.311 -10.804 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -0.513 15.903 -10.732 1.00 0.00 H new ATOM 241 N PRO A 143 0.786 16.584 -8.414 1.00 0.00 N ATOM 242 CA PRO A 143 1.831 17.134 -7.546 1.00 0.00 C ATOM 243 C PRO A 143 2.525 16.056 -6.717 1.00 0.00 C ATOM 244 O PRO A 143 3.659 16.237 -6.273 1.00 0.00 O ATOM 245 CB PRO A 143 1.078 18.114 -6.632 1.00 0.00 C ATOM 246 CG PRO A 143 -0.373 17.819 -6.833 1.00 0.00 C ATOM 247 CD PRO A 143 -0.496 17.276 -8.226 1.00 0.00 C ATOM 0 HA PRO A 143 2.625 17.605 -8.125 1.00 0.00 H new ATOM 0 HB2 PRO A 143 1.365 17.977 -5.589 1.00 0.00 H new ATOM 0 HB3 PRO A 143 1.307 19.147 -6.892 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -0.729 17.096 -6.100 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -0.975 18.720 -6.711 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -1.342 16.596 -8.323 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -0.640 18.070 -8.959 1.00 0.00 H new ATOM 255 N PHE A 144 1.839 14.938 -6.512 1.00 0.00 N ATOM 256 CA PHE A 144 2.393 13.833 -5.736 1.00 0.00 C ATOM 257 C PHE A 144 2.656 12.609 -6.614 1.00 0.00 C ATOM 258 O PHE A 144 3.070 11.564 -6.115 1.00 0.00 O ATOM 259 CB PHE A 144 1.431 13.445 -4.610 1.00 0.00 C ATOM 260 CG PHE A 144 0.872 14.614 -3.850 1.00 0.00 C ATOM 261 CD1 PHE A 144 1.706 15.593 -3.336 1.00 0.00 C ATOM 262 CD2 PHE A 144 -0.494 14.728 -3.651 1.00 0.00 C ATOM 263 CE1 PHE A 144 1.187 16.665 -2.636 1.00 0.00 C ATOM 264 CE2 PHE A 144 -1.019 15.796 -2.952 1.00 0.00 C ATOM 265 CZ PHE A 144 -0.178 16.767 -2.444 1.00 0.00 C ATOM 0 H PHE A 144 0.899 14.772 -6.872 1.00 0.00 H new ATOM 0 HA PHE A 144 3.341 14.170 -5.316 1.00 0.00 H new ATOM 0 HB2 PHE A 144 0.606 12.872 -5.033 1.00 0.00 H new ATOM 0 HB3 PHE A 144 1.951 12.788 -3.913 1.00 0.00 H new ATOM 0 HD1 PHE A 144 2.773 15.518 -3.484 1.00 0.00 H new ATOM 0 HD2 PHE A 144 -1.156 13.972 -4.047 1.00 0.00 H new ATOM 0 HE1 PHE A 144 1.847 17.422 -2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 144 -2.086 15.872 -2.802 1.00 0.00 H new ATOM 0 HZ PHE A 144 -0.586 17.604 -1.898 1.00 0.00 H new ATOM 275 N ALA A 145 2.407 12.736 -7.916 1.00 0.00 N ATOM 276 CA ALA A 145 2.603 11.627 -8.849 1.00 0.00 C ATOM 277 C ALA A 145 4.079 11.295 -9.061 1.00 0.00 C ATOM 278 O ALA A 145 4.533 11.142 -10.196 1.00 0.00 O ATOM 279 CB ALA A 145 1.940 11.944 -10.183 1.00 0.00 C ATOM 0 H ALA A 145 2.069 13.595 -8.349 1.00 0.00 H new ATOM 0 HA ALA A 145 2.137 10.747 -8.406 1.00 0.00 H new ATOM 0 HB1 ALA A 145 2.091 11.112 -10.871 1.00 0.00 H new ATOM 0 HB2 ALA A 145 0.872 12.099 -10.031 1.00 0.00 H new ATOM 0 HB3 ALA A 145 2.382 12.848 -10.603 1.00 0.00 H new ATOM 285 N ASP A 146 4.825 11.167 -7.970 1.00 0.00 N ATOM 286 CA ASP A 146 6.240 10.833 -8.051 1.00 0.00 C ATOM 287 C ASP A 146 6.739 10.290 -6.722 1.00 0.00 C ATOM 288 O ASP A 146 7.894 10.487 -6.348 1.00 0.00 O ATOM 289 CB ASP A 146 7.062 12.054 -8.468 1.00 0.00 C ATOM 290 CG ASP A 146 7.245 12.141 -9.971 1.00 0.00 C ATOM 291 OD1 ASP A 146 7.828 11.203 -10.554 1.00 0.00 O ATOM 292 OD2 ASP A 146 6.803 13.147 -10.566 1.00 0.00 O ATOM 0 H ASP A 146 4.473 11.289 -7.020 1.00 0.00 H new ATOM 0 HA ASP A 146 6.362 10.060 -8.809 1.00 0.00 H new ATOM 0 HB2 ASP A 146 6.570 12.959 -8.112 1.00 0.00 H new ATOM 0 HB3 ASP A 146 8.039 12.012 -7.987 1.00 0.00 H new ATOM 297 N PHE A 147 5.854 9.604 -6.016 1.00 0.00 N ATOM 298 CA PHE A 147 6.191 9.023 -4.723 1.00 0.00 C ATOM 299 C PHE A 147 5.292 7.833 -4.424 1.00 0.00 C ATOM 300 O PHE A 147 4.119 7.818 -4.797 1.00 0.00 O ATOM 301 CB PHE A 147 6.057 10.070 -3.616 1.00 0.00 C ATOM 302 CG PHE A 147 6.797 11.346 -3.905 1.00 0.00 C ATOM 303 CD1 PHE A 147 6.186 12.372 -4.609 1.00 0.00 C ATOM 304 CD2 PHE A 147 8.100 11.520 -3.471 1.00 0.00 C ATOM 305 CE1 PHE A 147 6.864 13.547 -4.874 1.00 0.00 C ATOM 306 CE2 PHE A 147 8.783 12.692 -3.734 1.00 0.00 C ATOM 307 CZ PHE A 147 8.163 13.707 -4.437 1.00 0.00 C ATOM 0 H PHE A 147 4.894 9.435 -6.316 1.00 0.00 H new ATOM 0 HA PHE A 147 7.225 8.681 -4.760 1.00 0.00 H new ATOM 0 HB2 PHE A 147 5.001 10.297 -3.468 1.00 0.00 H new ATOM 0 HB3 PHE A 147 6.427 9.648 -2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 147 5.170 12.252 -4.954 1.00 0.00 H new ATOM 0 HD2 PHE A 147 8.589 10.730 -2.920 1.00 0.00 H new ATOM 0 HE1 PHE A 147 6.377 14.340 -5.423 1.00 0.00 H new ATOM 0 HE2 PHE A 147 9.800 12.814 -3.391 1.00 0.00 H new ATOM 0 HZ PHE A 147 8.694 14.624 -4.644 1.00 0.00 H new ATOM 317 N THR A 148 5.848 6.833 -3.749 1.00 0.00 N ATOM 318 CA THR A 148 5.090 5.640 -3.406 1.00 0.00 C ATOM 319 C THR A 148 4.611 5.697 -1.961 1.00 0.00 C ATOM 320 O THR A 148 4.838 6.683 -1.261 1.00 0.00 O ATOM 321 CB THR A 148 5.938 4.387 -3.629 1.00 0.00 C ATOM 322 OG1 THR A 148 7.049 4.371 -2.752 1.00 0.00 O ATOM 323 CG2 THR A 148 6.465 4.266 -5.041 1.00 0.00 C ATOM 0 H THR A 148 6.817 6.826 -3.431 1.00 0.00 H new ATOM 0 HA THR A 148 4.217 5.596 -4.057 1.00 0.00 H new ATOM 0 HB THR A 148 5.270 3.548 -3.435 1.00 0.00 H new ATOM 0 HG1 THR A 148 7.578 3.561 -2.909 1.00 0.00 H new ATOM 0 HG21 THR A 148 7.058 3.356 -5.131 1.00 0.00 H new ATOM 0 HG22 THR A 148 5.629 4.225 -5.739 1.00 0.00 H new ATOM 0 HG23 THR A 148 7.089 5.130 -5.272 1.00 0.00 H new ATOM 331 N GLY A 149 3.948 4.634 -1.521 1.00 0.00 N ATOM 332 CA GLY A 149 3.445 4.585 -0.164 1.00 0.00 C ATOM 333 C GLY A 149 3.618 3.221 0.472 1.00 0.00 C ATOM 334 O GLY A 149 3.229 2.205 -0.107 1.00 0.00 O ATOM 0 H GLY A 149 3.750 3.805 -2.082 1.00 0.00 H new ATOM 0 HA2 GLY A 149 3.963 5.331 0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 149 2.388 4.851 -0.162 1.00 0.00 H new ATOM 338 N THR A 150 4.197 3.196 1.668 1.00 0.00 N ATOM 339 CA THR A 150 4.416 1.948 2.387 1.00 0.00 C ATOM 340 C THR A 150 3.220 1.621 3.275 1.00 0.00 C ATOM 341 O THR A 150 2.935 2.336 4.234 1.00 0.00 O ATOM 342 CB THR A 150 5.687 2.035 3.233 1.00 0.00 C ATOM 343 OG1 THR A 150 6.711 2.718 2.533 1.00 0.00 O ATOM 344 CG2 THR A 150 6.230 0.681 3.636 1.00 0.00 C ATOM 0 H THR A 150 4.523 4.028 2.160 1.00 0.00 H new ATOM 0 HA THR A 150 4.534 1.150 1.654 1.00 0.00 H new ATOM 0 HB THR A 150 5.398 2.576 4.134 1.00 0.00 H new ATOM 0 HG1 THR A 150 6.714 2.431 1.596 1.00 0.00 H new ATOM 0 HG21 THR A 150 7.132 0.814 4.234 1.00 0.00 H new ATOM 0 HG22 THR A 150 5.481 0.148 4.222 1.00 0.00 H new ATOM 0 HG23 THR A 150 6.469 0.104 2.743 1.00 0.00 H new ATOM 352 N VAL A 151 2.522 0.540 2.944 1.00 0.00 N ATOM 353 CA VAL A 151 1.353 0.121 3.707 1.00 0.00 C ATOM 354 C VAL A 151 1.750 -0.421 5.076 1.00 0.00 C ATOM 355 O VAL A 151 2.500 -1.391 5.179 1.00 0.00 O ATOM 356 CB VAL A 151 0.549 -0.956 2.956 1.00 0.00 C ATOM 357 CG1 VAL A 151 -0.764 -1.240 3.669 1.00 0.00 C ATOM 358 CG2 VAL A 151 0.300 -0.529 1.517 1.00 0.00 C ATOM 0 H VAL A 151 2.746 -0.062 2.152 1.00 0.00 H new ATOM 0 HA VAL A 151 0.730 1.006 3.838 1.00 0.00 H new ATOM 0 HB VAL A 151 1.134 -1.876 2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -1.317 -2.004 3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -0.560 -1.593 4.680 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -1.357 -0.327 3.717 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -0.270 -1.302 1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -0.263 0.404 1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 151 1.254 -0.383 1.011 1.00 0.00 H new ATOM 368 N THR A 152 1.233 0.211 6.125 1.00 0.00 N ATOM 369 CA THR A 152 1.523 -0.207 7.491 1.00 0.00 C ATOM 370 C THR A 152 0.297 -0.850 8.130 1.00 0.00 C ATOM 371 O THR A 152 0.415 -1.750 8.963 1.00 0.00 O ATOM 372 CB THR A 152 1.982 0.989 8.328 1.00 0.00 C ATOM 373 OG1 THR A 152 1.405 2.189 7.844 1.00 0.00 O ATOM 374 CG2 THR A 152 3.484 1.173 8.336 1.00 0.00 C ATOM 0 H THR A 152 0.610 1.016 6.054 1.00 0.00 H new ATOM 0 HA THR A 152 2.325 -0.945 7.458 1.00 0.00 H new ATOM 0 HB THR A 152 1.654 0.774 9.345 1.00 0.00 H new ATOM 0 HG1 THR A 152 1.709 2.942 8.392 1.00 0.00 H new ATOM 0 HG21 THR A 152 3.741 2.038 8.947 1.00 0.00 H new ATOM 0 HG22 THR A 152 3.957 0.282 8.749 1.00 0.00 H new ATOM 0 HG23 THR A 152 3.837 1.331 7.317 1.00 0.00 H new ATOM 382 N GLU A 153 -0.881 -0.384 7.729 1.00 0.00 N ATOM 383 CA GLU A 153 -2.135 -0.911 8.255 1.00 0.00 C ATOM 384 C GLU A 153 -3.265 -0.717 7.250 1.00 0.00 C ATOM 385 O GLU A 153 -3.160 0.099 6.335 1.00 0.00 O ATOM 386 CB GLU A 153 -2.489 -0.229 9.578 1.00 0.00 C ATOM 387 CG GLU A 153 -2.775 1.259 9.439 1.00 0.00 C ATOM 388 CD GLU A 153 -3.091 1.918 10.767 1.00 0.00 C ATOM 389 OE1 GLU A 153 -4.277 1.929 11.156 1.00 0.00 O ATOM 390 OE2 GLU A 153 -2.153 2.425 11.416 1.00 0.00 O ATOM 0 H GLU A 153 -0.994 0.359 7.040 1.00 0.00 H new ATOM 0 HA GLU A 153 -2.006 -1.979 8.432 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -3.362 -0.720 10.008 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -1.667 -0.368 10.280 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -1.912 1.751 8.990 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -3.614 1.402 8.758 1.00 0.00 H new ATOM 397 N ILE A 154 -4.345 -1.471 7.423 1.00 0.00 N ATOM 398 CA ILE A 154 -5.492 -1.378 6.527 1.00 0.00 C ATOM 399 C ILE A 154 -6.801 -1.322 7.306 1.00 0.00 C ATOM 400 O ILE A 154 -6.895 -1.838 8.419 1.00 0.00 O ATOM 401 CB ILE A 154 -5.539 -2.568 5.550 1.00 0.00 C ATOM 402 CG1 ILE A 154 -4.173 -2.770 4.890 1.00 0.00 C ATOM 403 CG2 ILE A 154 -6.615 -2.348 4.499 1.00 0.00 C ATOM 404 CD1 ILE A 154 -3.341 -3.853 5.543 1.00 0.00 C ATOM 0 H ILE A 154 -4.450 -2.153 8.174 1.00 0.00 H new ATOM 0 HA ILE A 154 -5.373 -0.455 5.960 1.00 0.00 H new ATOM 0 HB ILE A 154 -5.786 -3.470 6.111 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -4.319 -3.019 3.839 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -3.621 -1.831 4.921 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -6.636 -3.197 3.816 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -7.585 -2.250 4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -6.397 -1.438 3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -2.387 -3.941 5.024 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -3.164 -3.596 6.587 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -3.873 -4.803 5.489 1.00 0.00 H new ATOM 416 N ASN A 155 -7.809 -0.692 6.711 1.00 0.00 N ATOM 417 CA ASN A 155 -9.115 -0.568 7.346 1.00 0.00 C ATOM 418 C ASN A 155 -10.209 -1.155 6.456 1.00 0.00 C ATOM 419 O ASN A 155 -10.781 -0.457 5.619 1.00 0.00 O ATOM 420 CB ASN A 155 -9.421 0.902 7.646 1.00 0.00 C ATOM 421 CG ASN A 155 -8.390 1.531 8.562 1.00 0.00 C ATOM 422 OD1 ASN A 155 -7.781 0.852 9.388 1.00 0.00 O ATOM 423 ND2 ASN A 155 -8.191 2.836 8.420 1.00 0.00 N ATOM 0 H ASN A 155 -7.746 -0.259 5.789 1.00 0.00 H new ATOM 0 HA ASN A 155 -9.092 -1.126 8.282 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -9.461 1.460 6.711 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -10.406 0.979 8.105 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -7.510 3.315 9.009 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -8.719 3.359 7.722 1.00 0.00 H new ATOM 430 N PRO A 156 -10.514 -2.456 6.627 1.00 0.00 N ATOM 431 CA PRO A 156 -11.542 -3.137 5.835 1.00 0.00 C ATOM 432 C PRO A 156 -12.950 -2.667 6.185 1.00 0.00 C ATOM 433 O PRO A 156 -13.827 -2.602 5.323 1.00 0.00 O ATOM 434 CB PRO A 156 -11.362 -4.609 6.206 1.00 0.00 C ATOM 435 CG PRO A 156 -10.753 -4.584 7.565 1.00 0.00 C ATOM 436 CD PRO A 156 -9.878 -3.361 7.603 1.00 0.00 C ATOM 0 HA PRO A 156 -11.432 -2.937 4.769 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -12.316 -5.136 6.209 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -10.717 -5.121 5.492 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -11.522 -4.538 8.337 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -10.170 -5.487 7.748 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -9.847 -2.920 8.599 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -8.850 -3.593 7.325 1.00 0.00 H new ATOM 444 N GLU A 157 -13.162 -2.340 7.458 1.00 0.00 N ATOM 445 CA GLU A 157 -14.464 -1.875 7.921 1.00 0.00 C ATOM 446 C GLU A 157 -14.580 -0.354 7.819 1.00 0.00 C ATOM 447 O GLU A 157 -15.443 0.254 8.452 1.00 0.00 O ATOM 448 CB GLU A 157 -14.700 -2.322 9.368 1.00 0.00 C ATOM 449 CG GLU A 157 -15.768 -3.394 9.504 1.00 0.00 C ATOM 450 CD GLU A 157 -16.555 -3.272 10.793 1.00 0.00 C ATOM 451 OE1 GLU A 157 -17.467 -2.421 10.854 1.00 0.00 O ATOM 452 OE2 GLU A 157 -16.260 -4.028 11.743 1.00 0.00 O ATOM 0 H GLU A 157 -12.449 -2.389 8.185 1.00 0.00 H new ATOM 0 HA GLU A 157 -15.226 -2.316 7.278 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -13.764 -2.698 9.781 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -14.987 -1.456 9.965 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -16.452 -3.330 8.658 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -15.299 -4.377 9.461 1.00 0.00 H new ATOM 459 N ARG A 158 -13.708 0.258 7.020 1.00 0.00 N ATOM 460 CA ARG A 158 -13.720 1.705 6.840 1.00 0.00 C ATOM 461 C ARG A 158 -13.506 2.070 5.375 1.00 0.00 C ATOM 462 O ARG A 158 -14.215 2.914 4.825 1.00 0.00 O ATOM 463 CB ARG A 158 -12.640 2.356 7.705 1.00 0.00 C ATOM 464 CG ARG A 158 -12.847 3.846 7.919 1.00 0.00 C ATOM 465 CD ARG A 158 -11.713 4.455 8.728 1.00 0.00 C ATOM 466 NE ARG A 158 -12.056 5.779 9.243 1.00 0.00 N ATOM 467 CZ ARG A 158 -12.963 5.993 10.195 1.00 0.00 C ATOM 468 NH1 ARG A 158 -13.618 4.975 10.737 1.00 0.00 N ATOM 469 NH2 ARG A 158 -13.213 7.228 10.605 1.00 0.00 N ATOM 0 H ARG A 158 -12.985 -0.227 6.488 1.00 0.00 H new ATOM 0 HA ARG A 158 -14.696 2.079 7.150 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -12.614 1.859 8.675 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -11.668 2.196 7.239 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -12.917 4.347 6.954 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -13.793 4.013 8.434 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -11.467 3.795 9.560 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -10.822 4.528 8.105 1.00 0.00 H new ATOM 0 HE ARG A 158 -11.572 6.587 8.850 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -13.428 4.023 10.425 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -14.311 5.145 11.466 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -12.711 8.014 10.192 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -13.907 7.393 11.334 1.00 0.00 H new ATOM 483 N GLY A 159 -12.524 1.429 4.749 1.00 0.00 N ATOM 484 CA GLY A 159 -12.234 1.699 3.352 1.00 0.00 C ATOM 485 C GLY A 159 -11.066 2.648 3.178 1.00 0.00 C ATOM 486 O GLY A 159 -11.094 3.524 2.313 1.00 0.00 O ATOM 0 H GLY A 159 -11.924 0.728 5.184 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -12.016 0.761 2.841 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -13.118 2.124 2.876 1.00 0.00 H new ATOM 490 N LYS A 160 -10.038 2.478 4.003 1.00 0.00 N ATOM 491 CA LYS A 160 -8.856 3.328 3.935 1.00 0.00 C ATOM 492 C LYS A 160 -7.596 2.545 4.289 1.00 0.00 C ATOM 493 O LYS A 160 -7.670 1.405 4.748 1.00 0.00 O ATOM 494 CB LYS A 160 -9.008 4.522 4.880 1.00 0.00 C ATOM 495 CG LYS A 160 -10.323 5.266 4.715 1.00 0.00 C ATOM 496 CD LYS A 160 -10.200 6.719 5.142 1.00 0.00 C ATOM 497 CE LYS A 160 -10.312 6.870 6.650 1.00 0.00 C ATOM 498 NZ LYS A 160 -9.596 8.079 7.144 1.00 0.00 N ATOM 0 H LYS A 160 -10.000 1.760 4.726 1.00 0.00 H new ATOM 0 HA LYS A 160 -8.760 3.689 2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -8.925 4.173 5.909 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -8.184 5.216 4.711 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -10.641 5.218 3.674 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -11.096 4.776 5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -9.243 7.118 4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -10.979 7.308 4.658 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -11.363 6.931 6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -9.903 5.983 7.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -9.697 8.145 8.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -8.588 8.010 6.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -10.002 8.928 6.702 1.00 0.00 H new ATOM 512 N VAL A 161 -6.439 3.163 4.072 1.00 0.00 N ATOM 513 CA VAL A 161 -5.163 2.524 4.370 1.00 0.00 C ATOM 514 C VAL A 161 -4.117 3.561 4.762 1.00 0.00 C ATOM 515 O VAL A 161 -4.248 4.744 4.453 1.00 0.00 O ATOM 516 CB VAL A 161 -4.654 1.686 3.172 1.00 0.00 C ATOM 517 CG1 VAL A 161 -4.921 2.404 1.858 1.00 0.00 C ATOM 518 CG2 VAL A 161 -3.174 1.348 3.306 1.00 0.00 C ATOM 0 H VAL A 161 -6.359 4.106 3.691 1.00 0.00 H new ATOM 0 HA VAL A 161 -5.326 1.850 5.211 1.00 0.00 H new ATOM 0 HB VAL A 161 -5.208 0.747 3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -4.555 1.796 1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -5.993 2.566 1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -4.407 3.365 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -2.856 0.759 2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -2.593 2.269 3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -3.013 0.773 4.218 1.00 0.00 H new ATOM 528 N LYS A 162 -3.078 3.100 5.445 1.00 0.00 N ATOM 529 CA LYS A 162 -2.001 3.977 5.886 1.00 0.00 C ATOM 530 C LYS A 162 -0.754 3.782 5.031 1.00 0.00 C ATOM 531 O LYS A 162 -0.216 2.678 4.943 1.00 0.00 O ATOM 532 CB LYS A 162 -1.671 3.713 7.356 1.00 0.00 C ATOM 533 CG LYS A 162 -0.747 4.752 7.967 1.00 0.00 C ATOM 534 CD LYS A 162 -0.554 4.520 9.455 1.00 0.00 C ATOM 535 CE LYS A 162 0.439 5.505 10.051 1.00 0.00 C ATOM 536 NZ LYS A 162 -0.100 6.893 10.069 1.00 0.00 N ATOM 0 H LYS A 162 -2.958 2.121 5.706 1.00 0.00 H new ATOM 0 HA LYS A 162 -2.338 5.008 5.775 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -2.598 3.682 7.928 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -1.208 2.730 7.445 1.00 0.00 H new ATOM 0 HG2 LYS A 162 0.220 4.721 7.465 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -1.159 5.748 7.804 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -1.512 4.615 9.966 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -0.203 3.502 9.622 1.00 0.00 H new ATOM 0 HE2 LYS A 162 0.689 5.199 11.067 1.00 0.00 H new ATOM 0 HE3 LYS A 162 1.364 5.482 9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 0.570 7.519 10.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 -0.235 7.226 9.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 -1.012 6.905 10.568 1.00 0.00 H new ATOM 550 N VAL A 163 -0.301 4.861 4.401 1.00 0.00 N ATOM 551 CA VAL A 163 0.883 4.808 3.552 1.00 0.00 C ATOM 552 C VAL A 163 1.810 5.988 3.825 1.00 0.00 C ATOM 553 O VAL A 163 1.363 7.129 3.931 1.00 0.00 O ATOM 554 CB VAL A 163 0.502 4.809 2.060 1.00 0.00 C ATOM 555 CG1 VAL A 163 -0.048 3.452 1.648 1.00 0.00 C ATOM 556 CG2 VAL A 163 -0.502 5.911 1.766 1.00 0.00 C ATOM 0 H VAL A 163 -0.736 5.782 4.462 1.00 0.00 H new ATOM 0 HA VAL A 163 1.401 3.879 3.790 1.00 0.00 H new ATOM 0 HB VAL A 163 1.401 5.003 1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -0.312 3.472 0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 163 0.708 2.686 1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -0.935 3.224 2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -0.759 5.896 0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -1.402 5.751 2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 163 -0.066 6.877 2.020 1.00 0.00 H new ATOM 566 N MET A 164 3.104 5.703 3.938 1.00 0.00 N ATOM 567 CA MET A 164 4.093 6.744 4.198 1.00 0.00 C ATOM 568 C MET A 164 4.690 7.264 2.893 1.00 0.00 C ATOM 569 O MET A 164 5.037 6.484 2.005 1.00 0.00 O ATOM 570 CB MET A 164 5.200 6.211 5.112 1.00 0.00 C ATOM 571 CG MET A 164 6.197 5.302 4.409 1.00 0.00 C ATOM 572 SD MET A 164 7.371 4.545 5.548 1.00 0.00 S ATOM 573 CE MET A 164 8.844 5.501 5.198 1.00 0.00 C ATOM 0 H MET A 164 3.491 4.763 3.854 1.00 0.00 H new ATOM 0 HA MET A 164 3.592 7.572 4.699 1.00 0.00 H new ATOM 0 HB2 MET A 164 5.736 7.055 5.546 1.00 0.00 H new ATOM 0 HB3 MET A 164 4.744 5.664 5.937 1.00 0.00 H new ATOM 0 HG2 MET A 164 5.656 4.519 3.877 1.00 0.00 H new ATOM 0 HG3 MET A 164 6.742 5.877 3.661 1.00 0.00 H new ATOM 0 HE1 MET A 164 9.663 5.151 5.826 1.00 0.00 H new ATOM 0 HE2 MET A 164 9.115 5.381 4.149 1.00 0.00 H new ATOM 0 HE3 MET A 164 8.652 6.554 5.405 1.00 0.00 H new ATOM 583 N VAL A 165 4.810 8.582 2.783 1.00 0.00 N ATOM 584 CA VAL A 165 5.367 9.202 1.587 1.00 0.00 C ATOM 585 C VAL A 165 6.382 10.283 1.947 1.00 0.00 C ATOM 586 O VAL A 165 6.276 10.926 2.990 1.00 0.00 O ATOM 587 CB VAL A 165 4.263 9.825 0.711 1.00 0.00 C ATOM 588 CG1 VAL A 165 3.328 8.748 0.179 1.00 0.00 C ATOM 589 CG2 VAL A 165 3.487 10.875 1.494 1.00 0.00 C ATOM 0 H VAL A 165 4.529 9.242 3.508 1.00 0.00 H new ATOM 0 HA VAL A 165 5.865 8.411 1.026 1.00 0.00 H new ATOM 0 HB VAL A 165 4.736 10.315 -0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 165 2.556 9.209 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 165 3.896 8.038 -0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 165 2.862 8.226 1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 165 2.712 11.304 0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 165 3.026 10.411 2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 165 4.167 11.663 1.819 1.00 0.00 H new ATOM 599 N THR A 166 7.366 10.474 1.076 1.00 0.00 N ATOM 600 CA THR A 166 8.403 11.476 1.298 1.00 0.00 C ATOM 601 C THR A 166 8.304 12.596 0.267 1.00 0.00 C ATOM 602 O THR A 166 8.581 12.391 -0.915 1.00 0.00 O ATOM 603 CB THR A 166 9.788 10.830 1.236 1.00 0.00 C ATOM 604 OG1 THR A 166 9.789 9.581 1.905 1.00 0.00 O ATOM 605 CG2 THR A 166 10.874 11.684 1.854 1.00 0.00 C ATOM 0 H THR A 166 7.468 9.948 0.208 1.00 0.00 H new ATOM 0 HA THR A 166 8.255 11.904 2.289 1.00 0.00 H new ATOM 0 HB THR A 166 10.004 10.709 0.174 1.00 0.00 H new ATOM 0 HG1 THR A 166 10.683 9.183 1.853 1.00 0.00 H new ATOM 0 HG21 THR A 166 11.831 11.168 1.777 1.00 0.00 H new ATOM 0 HG22 THR A 166 10.932 12.636 1.327 1.00 0.00 H new ATOM 0 HG23 THR A 166 10.642 11.864 2.904 1.00 0.00 H new ATOM 613 N ILE A 167 7.907 13.780 0.722 1.00 0.00 N ATOM 614 CA ILE A 167 7.772 14.931 -0.160 1.00 0.00 C ATOM 615 C ILE A 167 9.013 15.820 -0.097 1.00 0.00 C ATOM 616 O ILE A 167 9.308 16.425 0.934 1.00 0.00 O ATOM 617 CB ILE A 167 6.510 15.756 0.187 1.00 0.00 C ATOM 618 CG1 ILE A 167 6.174 16.737 -0.943 1.00 0.00 C ATOM 619 CG2 ILE A 167 6.683 16.487 1.514 1.00 0.00 C ATOM 620 CD1 ILE A 167 7.146 17.890 -1.071 1.00 0.00 C ATOM 0 H ILE A 167 7.673 13.966 1.697 1.00 0.00 H new ATOM 0 HA ILE A 167 7.668 14.552 -1.177 1.00 0.00 H new ATOM 0 HB ILE A 167 5.673 15.066 0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 167 6.147 16.192 -1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 167 5.173 17.136 -0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 167 5.782 17.059 1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 167 6.856 15.762 2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 167 7.535 17.163 1.448 1.00 0.00 H new ATOM 0 HD11 ILE A 167 6.837 18.537 -1.892 1.00 0.00 H new ATOM 0 HD12 ILE A 167 7.156 18.462 -0.143 1.00 0.00 H new ATOM 0 HD13 ILE A 167 8.145 17.503 -1.270 1.00 0.00 H new ATOM 632 N PHE A 168 9.741 15.890 -1.209 1.00 0.00 N ATOM 633 CA PHE A 168 10.952 16.699 -1.281 1.00 0.00 C ATOM 634 C PHE A 168 11.975 16.241 -0.245 1.00 0.00 C ATOM 635 O PHE A 168 12.604 17.061 0.427 1.00 0.00 O ATOM 636 CB PHE A 168 10.620 18.178 -1.072 1.00 0.00 C ATOM 637 CG PHE A 168 11.369 19.099 -1.994 1.00 0.00 C ATOM 638 CD1 PHE A 168 12.662 19.499 -1.695 1.00 0.00 C ATOM 639 CD2 PHE A 168 10.780 19.564 -3.158 1.00 0.00 C ATOM 640 CE1 PHE A 168 13.353 20.346 -2.541 1.00 0.00 C ATOM 641 CE2 PHE A 168 11.465 20.410 -4.008 1.00 0.00 C ATOM 642 CZ PHE A 168 12.753 20.803 -3.698 1.00 0.00 C ATOM 0 H PHE A 168 9.512 15.396 -2.072 1.00 0.00 H new ATOM 0 HA PHE A 168 11.385 16.571 -2.273 1.00 0.00 H new ATOM 0 HB2 PHE A 168 9.550 18.325 -1.216 1.00 0.00 H new ATOM 0 HB3 PHE A 168 10.843 18.450 -0.040 1.00 0.00 H new ATOM 0 HD1 PHE A 168 13.135 19.145 -0.791 1.00 0.00 H new ATOM 0 HD2 PHE A 168 9.773 19.261 -3.404 1.00 0.00 H new ATOM 0 HE1 PHE A 168 14.360 20.650 -2.298 1.00 0.00 H new ATOM 0 HE2 PHE A 168 10.995 20.764 -4.914 1.00 0.00 H new ATOM 0 HZ PHE A 168 13.290 21.467 -4.360 1.00 0.00 H new ATOM 652 N GLY A 169 12.135 14.928 -0.119 1.00 0.00 N ATOM 653 CA GLY A 169 13.082 14.385 0.839 1.00 0.00 C ATOM 654 C GLY A 169 12.678 14.662 2.273 1.00 0.00 C ATOM 655 O GLY A 169 13.531 14.801 3.149 1.00 0.00 O ATOM 0 H GLY A 169 11.627 14.230 -0.662 1.00 0.00 H new ATOM 0 HA2 GLY A 169 13.168 13.309 0.690 1.00 0.00 H new ATOM 0 HA3 GLY A 169 14.067 14.812 0.653 1.00 0.00 H new ATOM 659 N ARG A 170 11.373 14.740 2.512 1.00 0.00 N ATOM 660 CA ARG A 170 10.855 15.004 3.849 1.00 0.00 C ATOM 661 C ARG A 170 9.780 13.988 4.227 1.00 0.00 C ATOM 662 O ARG A 170 8.792 13.821 3.511 1.00 0.00 O ATOM 663 CB ARG A 170 10.283 16.422 3.927 1.00 0.00 C ATOM 664 CG ARG A 170 9.707 16.776 5.291 1.00 0.00 C ATOM 665 CD ARG A 170 8.221 17.085 5.207 1.00 0.00 C ATOM 666 NE ARG A 170 7.964 18.522 5.144 1.00 0.00 N ATOM 667 CZ ARG A 170 7.965 19.324 6.207 1.00 0.00 C ATOM 668 NH1 ARG A 170 8.212 18.836 7.416 1.00 0.00 N ATOM 669 NH2 ARG A 170 7.720 20.619 6.059 1.00 0.00 N ATOM 0 H ARG A 170 10.655 14.624 1.797 1.00 0.00 H new ATOM 0 HA ARG A 170 11.680 14.913 4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 170 11.069 17.135 3.678 1.00 0.00 H new ATOM 0 HB3 ARG A 170 9.503 16.531 3.174 1.00 0.00 H new ATOM 0 HG2 ARG A 170 9.869 15.948 5.981 1.00 0.00 H new ATOM 0 HG3 ARG A 170 10.236 17.638 5.698 1.00 0.00 H new ATOM 0 HD2 ARG A 170 7.799 16.602 4.325 1.00 0.00 H new ATOM 0 HD3 ARG A 170 7.713 16.663 6.075 1.00 0.00 H new ATOM 0 HE ARG A 170 7.772 18.935 4.231 1.00 0.00 H new ATOM 0 HH11 ARG A 170 8.403 17.841 7.535 1.00 0.00 H new ATOM 0 HH12 ARG A 170 8.211 19.456 8.226 1.00 0.00 H new ATOM 0 HH21 ARG A 170 7.531 21.000 5.132 1.00 0.00 H new ATOM 0 HH22 ARG A 170 7.720 21.234 6.872 1.00 0.00 H new ATOM 683 N GLU A 171 9.979 13.313 5.355 1.00 0.00 N ATOM 684 CA GLU A 171 9.026 12.315 5.827 1.00 0.00 C ATOM 685 C GLU A 171 7.650 12.939 6.036 1.00 0.00 C ATOM 686 O GLU A 171 7.511 13.935 6.746 1.00 0.00 O ATOM 687 CB GLU A 171 9.520 11.687 7.133 1.00 0.00 C ATOM 688 CG GLU A 171 9.845 12.707 8.212 1.00 0.00 C ATOM 689 CD GLU A 171 11.260 12.568 8.740 1.00 0.00 C ATOM 690 OE1 GLU A 171 11.800 11.443 8.706 1.00 0.00 O ATOM 691 OE2 GLU A 171 11.827 13.587 9.190 1.00 0.00 O ATOM 0 H GLU A 171 10.791 13.439 5.959 1.00 0.00 H new ATOM 0 HA GLU A 171 8.942 11.537 5.068 1.00 0.00 H new ATOM 0 HB2 GLU A 171 8.759 11.003 7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 171 10.410 11.092 6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 171 9.708 13.711 7.810 1.00 0.00 H new ATOM 0 HG3 GLU A 171 9.141 12.595 9.037 1.00 0.00 H new ATOM 698 N THR A 172 6.636 12.349 5.412 1.00 0.00 N ATOM 699 CA THR A 172 5.273 12.853 5.529 1.00 0.00 C ATOM 700 C THR A 172 4.255 11.725 5.384 1.00 0.00 C ATOM 701 O THR A 172 3.799 11.426 4.280 1.00 0.00 O ATOM 702 CB THR A 172 5.014 13.925 4.470 1.00 0.00 C ATOM 703 OG1 THR A 172 6.167 14.727 4.275 1.00 0.00 O ATOM 704 CG2 THR A 172 3.867 14.848 4.818 1.00 0.00 C ATOM 0 H THR A 172 6.732 11.523 4.821 1.00 0.00 H new ATOM 0 HA THR A 172 5.160 13.291 6.521 1.00 0.00 H new ATOM 0 HB THR A 172 4.755 13.377 3.564 1.00 0.00 H new ATOM 0 HG1 THR A 172 5.904 15.669 4.212 1.00 0.00 H new ATOM 0 HG21 THR A 172 3.738 15.584 4.024 1.00 0.00 H new ATOM 0 HG22 THR A 172 2.952 14.266 4.925 1.00 0.00 H new ATOM 0 HG23 THR A 172 4.084 15.360 5.756 1.00 0.00 H new ATOM 712 N PRO A 173 3.880 11.080 6.503 1.00 0.00 N ATOM 713 CA PRO A 173 2.906 9.982 6.492 1.00 0.00 C ATOM 714 C PRO A 173 1.485 10.478 6.248 1.00 0.00 C ATOM 715 O PRO A 173 0.993 11.354 6.957 1.00 0.00 O ATOM 716 CB PRO A 173 3.033 9.386 7.895 1.00 0.00 C ATOM 717 CG PRO A 173 3.493 10.521 8.744 1.00 0.00 C ATOM 718 CD PRO A 173 4.370 11.370 7.865 1.00 0.00 C ATOM 0 HA PRO A 173 3.100 9.267 5.692 1.00 0.00 H new ATOM 0 HB2 PRO A 173 2.080 8.990 8.245 1.00 0.00 H new ATOM 0 HB3 PRO A 173 3.747 8.562 7.913 1.00 0.00 H new ATOM 0 HG2 PRO A 173 2.646 11.095 9.120 1.00 0.00 H new ATOM 0 HG3 PRO A 173 4.044 10.160 9.612 1.00 0.00 H new ATOM 0 HD2 PRO A 173 4.277 12.428 8.108 1.00 0.00 H new ATOM 0 HD3 PRO A 173 5.422 11.109 7.977 1.00 0.00 H new ATOM 726 N VAL A 174 0.831 9.913 5.237 1.00 0.00 N ATOM 727 CA VAL A 174 -0.532 10.302 4.900 1.00 0.00 C ATOM 728 C VAL A 174 -1.413 9.082 4.660 1.00 0.00 C ATOM 729 O VAL A 174 -1.009 8.134 3.988 1.00 0.00 O ATOM 730 CB VAL A 174 -0.568 11.188 3.639 1.00 0.00 C ATOM 731 CG1 VAL A 174 -0.086 12.595 3.955 1.00 0.00 C ATOM 732 CG2 VAL A 174 0.263 10.568 2.527 1.00 0.00 C ATOM 0 H VAL A 174 1.223 9.186 4.639 1.00 0.00 H new ATOM 0 HA VAL A 174 -0.914 10.866 5.751 1.00 0.00 H new ATOM 0 HB VAL A 174 -1.601 11.255 3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 174 -0.120 13.203 3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 174 -0.730 13.038 4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 174 0.938 12.554 4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 174 0.226 11.207 1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 174 1.296 10.467 2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 174 -0.137 9.585 2.279 1.00 0.00 H new ATOM 742 N GLU A 175 -2.628 9.119 5.201 1.00 0.00 N ATOM 743 CA GLU A 175 -3.570 8.022 5.029 1.00 0.00 C ATOM 744 C GLU A 175 -4.238 8.119 3.662 1.00 0.00 C ATOM 745 O GLU A 175 -4.783 9.164 3.301 1.00 0.00 O ATOM 746 CB GLU A 175 -4.625 8.042 6.137 1.00 0.00 C ATOM 747 CG GLU A 175 -5.254 9.408 6.355 1.00 0.00 C ATOM 748 CD GLU A 175 -4.702 10.115 7.576 1.00 0.00 C ATOM 749 OE1 GLU A 175 -3.501 10.458 7.573 1.00 0.00 O ATOM 750 OE2 GLU A 175 -5.472 10.326 8.538 1.00 0.00 O ATOM 0 H GLU A 175 -2.981 9.896 5.760 1.00 0.00 H new ATOM 0 HA GLU A 175 -3.025 7.080 5.091 1.00 0.00 H new ATOM 0 HB2 GLU A 175 -5.409 7.325 5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 175 -4.167 7.709 7.069 1.00 0.00 H new ATOM 0 HG2 GLU A 175 -5.085 10.027 5.474 1.00 0.00 H new ATOM 0 HG3 GLU A 175 -6.333 9.294 6.462 1.00 0.00 H new ATOM 757 N LEU A 176 -4.179 7.036 2.898 1.00 0.00 N ATOM 758 CA LEU A 176 -4.765 7.014 1.563 1.00 0.00 C ATOM 759 C LEU A 176 -5.700 5.836 1.379 1.00 0.00 C ATOM 760 O LEU A 176 -6.018 5.115 2.326 1.00 0.00 O ATOM 761 CB LEU A 176 -3.667 6.914 0.506 1.00 0.00 C ATOM 762 CG LEU A 176 -3.257 8.239 -0.143 1.00 0.00 C ATOM 763 CD1 LEU A 176 -2.252 7.997 -1.257 1.00 0.00 C ATOM 764 CD2 LEU A 176 -4.479 8.974 -0.675 1.00 0.00 C ATOM 0 H LEU A 176 -3.733 6.163 3.178 1.00 0.00 H new ATOM 0 HA LEU A 176 -5.328 7.940 1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -2.785 6.465 0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -4.001 6.233 -0.277 1.00 0.00 H new ATOM 0 HG LEU A 176 -2.785 8.863 0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -1.972 8.949 -1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -1.365 7.514 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -2.698 7.354 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -4.168 9.913 -1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -4.980 8.356 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -5.166 9.180 0.146 1.00 0.00 H new ATOM 776 N ASP A 177 -6.107 5.635 0.134 1.00 0.00 N ATOM 777 CA ASP A 177 -6.968 4.532 -0.213 1.00 0.00 C ATOM 778 C ASP A 177 -6.560 3.944 -1.557 1.00 0.00 C ATOM 779 O ASP A 177 -5.959 4.624 -2.387 1.00 0.00 O ATOM 780 CB ASP A 177 -8.436 4.968 -0.246 1.00 0.00 C ATOM 781 CG ASP A 177 -8.785 5.927 0.875 1.00 0.00 C ATOM 782 OD1 ASP A 177 -8.153 7.001 0.957 1.00 0.00 O ATOM 783 OD2 ASP A 177 -9.694 5.606 1.670 1.00 0.00 O ATOM 0 H ASP A 177 -5.848 6.231 -0.653 1.00 0.00 H new ATOM 0 HA ASP A 177 -6.860 3.765 0.554 1.00 0.00 H new ATOM 0 HB2 ASP A 177 -8.649 5.442 -1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 177 -9.074 4.087 -0.177 1.00 0.00 H new ATOM 788 N PHE A 178 -6.879 2.674 -1.756 1.00 0.00 N ATOM 789 CA PHE A 178 -6.542 1.974 -2.996 1.00 0.00 C ATOM 790 C PHE A 178 -6.941 2.792 -4.223 1.00 0.00 C ATOM 791 O PHE A 178 -6.294 2.713 -5.269 1.00 0.00 O ATOM 792 CB PHE A 178 -7.234 0.610 -3.036 1.00 0.00 C ATOM 793 CG PHE A 178 -6.959 -0.238 -1.826 1.00 0.00 C ATOM 794 CD1 PHE A 178 -5.658 -0.518 -1.442 1.00 0.00 C ATOM 795 CD2 PHE A 178 -8.002 -0.754 -1.074 1.00 0.00 C ATOM 796 CE1 PHE A 178 -5.401 -1.297 -0.330 1.00 0.00 C ATOM 797 CE2 PHE A 178 -7.752 -1.534 0.040 1.00 0.00 C ATOM 798 CZ PHE A 178 -6.450 -1.806 0.410 1.00 0.00 C ATOM 0 H PHE A 178 -7.374 2.100 -1.073 1.00 0.00 H new ATOM 0 HA PHE A 178 -5.461 1.834 -3.017 1.00 0.00 H new ATOM 0 HB2 PHE A 178 -8.310 0.760 -3.128 1.00 0.00 H new ATOM 0 HB3 PHE A 178 -6.910 0.073 -3.927 1.00 0.00 H new ATOM 0 HD1 PHE A 178 -4.835 -0.123 -2.019 1.00 0.00 H new ATOM 0 HD2 PHE A 178 -9.022 -0.545 -1.361 1.00 0.00 H new ATOM 0 HE1 PHE A 178 -4.382 -1.507 -0.040 1.00 0.00 H new ATOM 0 HE2 PHE A 178 -8.573 -1.929 0.619 1.00 0.00 H new ATOM 0 HZ PHE A 178 -6.252 -2.417 1.278 1.00 0.00 H new ATOM 808 N SER A 179 -8.005 3.577 -4.091 1.00 0.00 N ATOM 809 CA SER A 179 -8.487 4.408 -5.190 1.00 0.00 C ATOM 810 C SER A 179 -7.657 5.684 -5.336 1.00 0.00 C ATOM 811 O SER A 179 -7.935 6.517 -6.198 1.00 0.00 O ATOM 812 CB SER A 179 -9.957 4.768 -4.973 1.00 0.00 C ATOM 813 OG SER A 179 -10.812 3.836 -5.614 1.00 0.00 O ATOM 0 H SER A 179 -8.551 3.656 -3.233 1.00 0.00 H new ATOM 0 HA SER A 179 -8.385 3.832 -6.110 1.00 0.00 H new ATOM 0 HB2 SER A 179 -10.175 4.791 -3.905 1.00 0.00 H new ATOM 0 HB3 SER A 179 -10.150 5.769 -5.360 1.00 0.00 H new ATOM 0 HG SER A 179 -11.746 4.088 -5.458 1.00 0.00 H new ATOM 819 N GLN A 180 -6.640 5.835 -4.491 1.00 0.00 N ATOM 820 CA GLN A 180 -5.780 7.013 -4.531 1.00 0.00 C ATOM 821 C GLN A 180 -4.316 6.628 -4.748 1.00 0.00 C ATOM 822 O GLN A 180 -3.421 7.464 -4.618 1.00 0.00 O ATOM 823 CB GLN A 180 -5.917 7.808 -3.232 1.00 0.00 C ATOM 824 CG GLN A 180 -7.035 8.839 -3.264 1.00 0.00 C ATOM 825 CD GLN A 180 -6.581 10.208 -2.797 1.00 0.00 C ATOM 826 OE1 GLN A 180 -7.151 10.781 -1.869 1.00 0.00 O ATOM 827 NE2 GLN A 180 -5.548 10.740 -3.439 1.00 0.00 N ATOM 0 H GLN A 180 -6.392 5.156 -3.771 1.00 0.00 H new ATOM 0 HA GLN A 180 -6.098 7.630 -5.372 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -6.096 7.116 -2.409 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -4.974 8.313 -3.024 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -7.424 8.916 -4.279 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -7.856 8.498 -2.633 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -5.105 10.230 -4.203 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -5.197 11.659 -3.168 1.00 0.00 H new ATOM 836 N VAL A 181 -4.073 5.362 -5.082 1.00 0.00 N ATOM 837 CA VAL A 181 -2.715 4.884 -5.313 1.00 0.00 C ATOM 838 C VAL A 181 -2.692 3.760 -6.342 1.00 0.00 C ATOM 839 O VAL A 181 -3.704 3.104 -6.585 1.00 0.00 O ATOM 840 CB VAL A 181 -2.066 4.387 -4.011 1.00 0.00 C ATOM 841 CG1 VAL A 181 -1.755 5.553 -3.088 1.00 0.00 C ATOM 842 CG2 VAL A 181 -2.967 3.376 -3.318 1.00 0.00 C ATOM 0 H VAL A 181 -4.797 4.653 -5.198 1.00 0.00 H new ATOM 0 HA VAL A 181 -2.144 5.731 -5.694 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.127 3.893 -4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -1.296 5.180 -2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -1.068 6.237 -3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -2.678 6.079 -2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -2.491 3.035 -2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -3.923 3.843 -3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -3.133 2.524 -3.978 1.00 0.00 H new ATOM 852 N VAL A 182 -1.526 3.543 -6.944 1.00 0.00 N ATOM 853 CA VAL A 182 -1.367 2.498 -7.948 1.00 0.00 C ATOM 854 C VAL A 182 -0.260 1.526 -7.556 1.00 0.00 C ATOM 855 O VAL A 182 0.732 1.916 -6.939 1.00 0.00 O ATOM 856 CB VAL A 182 -1.045 3.091 -9.332 1.00 0.00 C ATOM 857 CG1 VAL A 182 -2.219 3.908 -9.849 1.00 0.00 C ATOM 858 CG2 VAL A 182 0.217 3.938 -9.269 1.00 0.00 C ATOM 0 H VAL A 182 -0.678 4.077 -6.753 1.00 0.00 H new ATOM 0 HA VAL A 182 -2.316 1.965 -8.002 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.870 2.270 -10.027 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -1.973 4.319 -10.828 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -3.098 3.269 -9.934 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -2.429 4.723 -9.156 1.00 0.00 H new ATOM 0 HG21 VAL A 182 0.429 4.349 -10.256 1.00 0.00 H new ATOM 0 HG22 VAL A 182 0.073 4.753 -8.560 1.00 0.00 H new ATOM 0 HG23 VAL A 182 1.054 3.320 -8.946 1.00 0.00 H new ATOM 868 N LYS A 183 -0.434 0.260 -7.918 1.00 0.00 N ATOM 869 CA LYS A 183 0.551 -0.768 -7.602 1.00 0.00 C ATOM 870 C LYS A 183 1.806 -0.598 -8.453 1.00 0.00 C ATOM 871 O LYS A 183 1.746 -0.640 -9.681 1.00 0.00 O ATOM 872 CB LYS A 183 -0.046 -2.159 -7.823 1.00 0.00 C ATOM 873 CG LYS A 183 0.296 -3.151 -6.722 1.00 0.00 C ATOM 874 CD LYS A 183 -0.957 -3.748 -6.095 1.00 0.00 C ATOM 875 CE LYS A 183 -1.253 -5.133 -6.647 1.00 0.00 C ATOM 876 NZ LYS A 183 -2.584 -5.194 -7.313 1.00 0.00 N ATOM 0 H LYS A 183 -1.248 -0.079 -8.431 1.00 0.00 H new ATOM 0 HA LYS A 183 0.829 -0.662 -6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -1.130 -2.072 -7.898 1.00 0.00 H new ATOM 0 HB3 LYS A 183 0.309 -2.550 -8.776 1.00 0.00 H new ATOM 0 HG2 LYS A 183 0.915 -3.950 -7.131 1.00 0.00 H new ATOM 0 HG3 LYS A 183 0.886 -2.653 -5.953 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -0.831 -3.806 -5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 183 -1.807 -3.092 -6.283 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -0.477 -5.413 -7.360 1.00 0.00 H new ATOM 0 HE3 LYS A 183 -1.219 -5.861 -5.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -2.684 -6.104 -7.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -3.334 -5.103 -6.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -2.664 -4.417 -8.000 1.00 0.00 H new ATOM 890 N ALA A 184 2.941 -0.404 -7.789 1.00 0.00 N ATOM 891 CA ALA A 184 4.211 -0.226 -8.483 1.00 0.00 C ATOM 892 C ALA A 184 5.247 -1.234 -7.998 1.00 0.00 C ATOM 893 O ALA A 184 5.593 -2.147 -8.776 1.00 0.00 O ATOM 894 CB ALA A 184 4.722 1.194 -8.290 1.00 0.00 C ATOM 895 OXT ALA A 184 5.706 -1.101 -6.844 1.00 0.00 O ATOM 0 H ALA A 184 3.007 -0.366 -6.772 1.00 0.00 H new ATOM 0 HA ALA A 184 4.044 -0.399 -9.546 1.00 0.00 H new ATOM 0 HB1 ALA A 184 5.671 1.314 -8.813 1.00 0.00 H new ATOM 0 HB2 ALA A 184 3.995 1.900 -8.691 1.00 0.00 H new ATOM 0 HB3 ALA A 184 4.867 1.387 -7.227 1.00 0.00 H new TER 901 ALA A 184