USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 441 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 107 HIS : no HD1:sc= -0.211 X(o=-6.4,f=-6.2) USER MOD Set 1.2: A 111 ASN : amide:sc= -6.24! C(o=-6.4!,f=-7.6!) USER MOD Set 2.1: A 101 SER OG : rot -71:sc= -0.0845 USER MOD Set 2.2: A 135 GLN : amide:sc= 0.267 K(o=0.18,f=-2.1!) USER MOD Single : A 97 ASN :FLIP amide:sc= -4.83! C(o=-5.6!,f=-4.8!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -133:sc= -14.9! (180deg=-21!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.0581 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 137 ASN : amide:sc= -6.14! C(o=-6.1!,f=-16!) USER MOD Single : A 138 TYR OH : rot 163:sc= -8.95! USER MOD Single : A 143 GLN : amide:sc= -0.602 X(o=-0.6,f=-0.39) USER MOD Single : A 144 MET CE :methyl -103:sc= -6.71! (180deg=-11.6!) USER MOD Single : A 145 MET CE :methyl -126:sc= -22.3! (180deg=-27.2!) USER MOD Single : A 146 THR OG1 : rot -61:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 91 N GLU A 82 -6.790 -4.109 -7.041 1.00 0.00 N ATOM 92 CA GLU A 82 -6.668 -2.965 -6.092 1.00 0.00 C ATOM 93 C GLU A 82 -8.004 -2.750 -5.377 1.00 0.00 C ATOM 94 O GLU A 82 -8.138 -1.877 -4.543 1.00 0.00 O ATOM 95 CB GLU A 82 -6.285 -1.690 -6.851 1.00 0.00 C ATOM 96 CG GLU A 82 -5.481 -2.054 -8.101 1.00 0.00 C ATOM 97 CD GLU A 82 -4.360 -1.032 -8.303 1.00 0.00 C ATOM 98 OE1 GLU A 82 -3.814 -0.578 -7.311 1.00 0.00 O ATOM 99 OE2 GLU A 82 -4.066 -0.724 -9.446 1.00 0.00 O ATOM 0 HA GLU A 82 -5.892 -3.191 -5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.183 -1.139 -7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.698 -1.035 -6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.061 -3.054 -7.998 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.134 -2.071 -8.974 1.00 0.00 H new ATOM 106 N GLU A 83 -8.995 -3.541 -5.691 1.00 0.00 N ATOM 107 CA GLU A 83 -10.313 -3.378 -5.020 1.00 0.00 C ATOM 108 C GLU A 83 -10.187 -3.825 -3.558 1.00 0.00 C ATOM 109 O GLU A 83 -10.980 -3.460 -2.714 1.00 0.00 O ATOM 110 CB GLU A 83 -11.374 -4.206 -5.775 1.00 0.00 C ATOM 111 CG GLU A 83 -11.733 -5.477 -5.000 1.00 0.00 C ATOM 112 CD GLU A 83 -12.791 -6.268 -5.773 1.00 0.00 C ATOM 113 OE1 GLU A 83 -12.668 -6.359 -6.982 1.00 0.00 O ATOM 114 OE2 GLU A 83 -13.707 -6.767 -5.141 1.00 0.00 O ATOM 0 H GLU A 83 -8.947 -4.290 -6.381 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.625 -2.334 -5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.270 -3.604 -5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.997 -4.472 -6.763 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.843 -6.089 -4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.109 -5.218 -4.010 1.00 0.00 H new ATOM 121 N GLU A 84 -9.190 -4.614 -3.259 1.00 0.00 N ATOM 122 CA GLU A 84 -9.005 -5.084 -1.857 1.00 0.00 C ATOM 123 C GLU A 84 -7.925 -4.240 -1.178 1.00 0.00 C ATOM 124 O GLU A 84 -8.043 -3.875 -0.026 1.00 0.00 O ATOM 125 CB GLU A 84 -8.574 -6.553 -1.866 1.00 0.00 C ATOM 126 CG GLU A 84 -9.192 -7.274 -0.667 1.00 0.00 C ATOM 127 CD GLU A 84 -10.020 -8.463 -1.157 1.00 0.00 C ATOM 128 OE1 GLU A 84 -9.555 -9.158 -2.046 1.00 0.00 O ATOM 129 OE2 GLU A 84 -11.105 -8.659 -0.636 1.00 0.00 O ATOM 0 H GLU A 84 -8.496 -4.953 -3.925 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.943 -4.984 -1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.891 -7.030 -2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.487 -6.624 -1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.408 -7.617 0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.822 -6.587 -0.101 1.00 0.00 H new ATOM 136 N ILE A 85 -6.873 -3.927 -1.883 1.00 0.00 N ATOM 137 CA ILE A 85 -5.789 -3.106 -1.276 1.00 0.00 C ATOM 138 C ILE A 85 -6.319 -1.706 -0.974 1.00 0.00 C ATOM 139 O ILE A 85 -6.189 -1.208 0.127 1.00 0.00 O ATOM 140 CB ILE A 85 -4.618 -3.005 -2.249 1.00 0.00 C ATOM 141 CG1 ILE A 85 -3.917 -4.364 -2.326 1.00 0.00 C ATOM 142 CG2 ILE A 85 -3.633 -1.943 -1.757 1.00 0.00 C ATOM 143 CD1 ILE A 85 -4.556 -5.206 -3.433 1.00 0.00 C ATOM 0 H ILE A 85 -6.718 -4.204 -2.852 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.454 -3.577 -0.352 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.981 -2.723 -3.237 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.855 -4.226 -2.527 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.996 -4.881 -1.370 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.797 -1.872 -2.453 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.138 -0.979 -1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.261 -2.221 -0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.057 -6.174 -3.488 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.613 -5.355 -3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.453 -4.690 -4.388 1.00 0.00 H new ATOM 155 N ARG A 86 -6.918 -1.062 -1.937 1.00 0.00 N ATOM 156 CA ARG A 86 -7.452 0.299 -1.680 1.00 0.00 C ATOM 157 C ARG A 86 -8.273 0.251 -0.386 1.00 0.00 C ATOM 158 O ARG A 86 -8.334 1.210 0.354 1.00 0.00 O ATOM 159 CB ARG A 86 -8.293 0.759 -2.892 1.00 0.00 C ATOM 160 CG ARG A 86 -9.789 0.810 -2.566 1.00 0.00 C ATOM 161 CD ARG A 86 -10.095 1.975 -1.616 1.00 0.00 C ATOM 162 NE ARG A 86 -11.365 2.630 -2.040 1.00 0.00 N ATOM 163 CZ ARG A 86 -11.367 3.465 -3.042 1.00 0.00 C ATOM 164 NH1 ARG A 86 -10.909 4.677 -2.883 1.00 0.00 N ATOM 165 NH2 ARG A 86 -11.826 3.089 -4.204 1.00 0.00 N ATOM 0 H ARG A 86 -7.059 -1.418 -2.882 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.649 1.025 -1.553 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.958 1.745 -3.212 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.127 0.079 -3.728 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.363 0.923 -3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.100 -0.130 -2.109 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.183 1.612 -0.592 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.277 2.696 -1.630 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.234 2.425 -1.546 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.549 4.971 -1.975 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.911 5.330 -3.667 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.183 2.142 -4.329 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.827 3.742 -4.987 1.00 0.00 H new ATOM 179 N GLU A 87 -8.874 -0.874 -0.094 1.00 0.00 N ATOM 180 CA GLU A 87 -9.652 -0.989 1.171 1.00 0.00 C ATOM 181 C GLU A 87 -8.657 -0.942 2.330 1.00 0.00 C ATOM 182 O GLU A 87 -8.837 -0.222 3.291 1.00 0.00 O ATOM 183 CB GLU A 87 -10.417 -2.313 1.192 1.00 0.00 C ATOM 184 CG GLU A 87 -10.955 -2.569 2.599 1.00 0.00 C ATOM 185 CD GLU A 87 -12.003 -3.681 2.552 1.00 0.00 C ATOM 186 OE1 GLU A 87 -11.950 -4.479 1.631 1.00 0.00 O ATOM 187 OE2 GLU A 87 -12.842 -3.717 3.438 1.00 0.00 O ATOM 0 H GLU A 87 -8.859 -1.712 -0.675 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.374 -0.176 1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.239 -2.281 0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.761 -3.129 0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.140 -2.851 3.265 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.395 -1.657 3.003 1.00 0.00 H new ATOM 194 N ALA A 88 -7.587 -1.686 2.218 1.00 0.00 N ATOM 195 CA ALA A 88 -6.542 -1.670 3.278 1.00 0.00 C ATOM 196 C ALA A 88 -5.599 -0.526 2.972 1.00 0.00 C ATOM 197 O ALA A 88 -4.448 -0.718 2.636 1.00 0.00 O ATOM 198 CB ALA A 88 -5.751 -2.964 3.243 1.00 0.00 C ATOM 0 H ALA A 88 -7.394 -2.307 1.432 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.005 -1.557 4.258 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.988 -2.945 4.021 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.422 -3.806 3.413 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.273 -3.072 2.269 1.00 0.00 H new ATOM 204 N PHE A 89 -6.090 0.660 3.059 1.00 0.00 N ATOM 205 CA PHE A 89 -5.254 1.831 2.748 1.00 0.00 C ATOM 206 C PHE A 89 -6.173 3.046 2.663 1.00 0.00 C ATOM 207 O PHE A 89 -5.760 4.167 2.872 1.00 0.00 O ATOM 208 CB PHE A 89 -4.545 1.605 1.408 1.00 0.00 C ATOM 209 CG PHE A 89 -3.061 1.781 1.602 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.446 1.254 2.735 1.00 0.00 C ATOM 211 CD2 PHE A 89 -2.300 2.493 0.669 1.00 0.00 C ATOM 212 CE1 PHE A 89 -1.077 1.433 2.936 1.00 0.00 C ATOM 213 CE2 PHE A 89 -0.933 2.676 0.869 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.318 2.146 2.005 1.00 0.00 C ATOM 0 H PHE A 89 -7.048 0.873 3.336 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.497 1.988 3.517 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.760 0.604 1.033 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.914 2.311 0.663 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.030 0.706 3.459 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.774 2.903 -0.211 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.603 1.019 3.814 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.350 3.227 0.146 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.741 2.287 2.163 1.00 0.00 H new ATOM 224 N ARG A 90 -7.435 2.821 2.379 1.00 0.00 N ATOM 225 CA ARG A 90 -8.397 3.938 2.307 1.00 0.00 C ATOM 226 C ARG A 90 -8.659 4.409 3.727 1.00 0.00 C ATOM 227 O ARG A 90 -8.972 5.555 3.978 1.00 0.00 O ATOM 228 CB ARG A 90 -9.705 3.450 1.682 1.00 0.00 C ATOM 229 CG ARG A 90 -10.439 2.533 2.670 1.00 0.00 C ATOM 230 CD ARG A 90 -11.773 2.066 2.070 1.00 0.00 C ATOM 231 NE ARG A 90 -12.136 2.920 0.903 1.00 0.00 N ATOM 232 CZ ARG A 90 -13.224 3.642 0.934 1.00 0.00 C ATOM 233 NH1 ARG A 90 -13.411 4.495 1.904 1.00 0.00 N ATOM 234 NH2 ARG A 90 -14.123 3.509 -0.001 1.00 0.00 N ATOM 0 H ARG A 90 -7.831 1.899 2.194 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.999 4.749 1.698 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.335 4.301 1.423 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.499 2.913 0.756 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.817 1.670 2.907 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.618 3.063 3.605 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.696 1.024 1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.558 2.116 2.825 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.534 2.940 0.080 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.708 4.597 2.636 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.260 5.060 1.930 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.977 2.841 -0.758 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.972 4.073 0.024 1.00 0.00 H new ATOM 248 N VAL A 91 -8.522 3.511 4.655 1.00 0.00 N ATOM 249 CA VAL A 91 -8.746 3.863 6.075 1.00 0.00 C ATOM 250 C VAL A 91 -7.941 5.116 6.397 1.00 0.00 C ATOM 251 O VAL A 91 -8.289 5.892 7.265 1.00 0.00 O ATOM 252 CB VAL A 91 -8.279 2.708 6.960 1.00 0.00 C ATOM 253 CG1 VAL A 91 -8.208 3.174 8.414 1.00 0.00 C ATOM 254 CG2 VAL A 91 -9.269 1.549 6.836 1.00 0.00 C ATOM 0 H VAL A 91 -8.262 2.539 4.487 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.805 4.047 6.257 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.290 2.378 6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.875 2.350 9.044 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.504 4.002 8.497 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.195 3.503 8.739 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.941 0.722 7.465 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.257 1.879 7.156 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.315 1.219 5.798 1.00 0.00 H new ATOM 264 N PHE A 92 -6.867 5.315 5.690 1.00 0.00 N ATOM 265 CA PHE A 92 -6.024 6.511 5.925 1.00 0.00 C ATOM 266 C PHE A 92 -6.255 7.497 4.782 1.00 0.00 C ATOM 267 O PHE A 92 -6.272 8.698 4.965 1.00 0.00 O ATOM 268 CB PHE A 92 -4.561 6.078 5.964 1.00 0.00 C ATOM 269 CG PHE A 92 -4.400 4.980 6.989 1.00 0.00 C ATOM 270 CD1 PHE A 92 -4.371 5.290 8.355 1.00 0.00 C ATOM 271 CD2 PHE A 92 -4.284 3.649 6.573 1.00 0.00 C ATOM 272 CE1 PHE A 92 -4.225 4.269 9.303 1.00 0.00 C ATOM 273 CE2 PHE A 92 -4.138 2.629 7.521 1.00 0.00 C ATOM 274 CZ PHE A 92 -4.109 2.938 8.885 1.00 0.00 C ATOM 0 H PHE A 92 -6.536 4.693 4.953 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.280 6.989 6.871 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.247 5.725 4.982 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.924 6.926 6.217 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.461 6.317 8.677 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.307 3.408 5.520 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.202 4.509 10.356 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.048 1.602 7.199 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.997 2.150 9.615 1.00 0.00 H new ATOM 284 N ASP A 93 -6.458 6.981 3.603 1.00 0.00 N ATOM 285 CA ASP A 93 -6.718 7.852 2.426 1.00 0.00 C ATOM 286 C ASP A 93 -8.223 8.138 2.359 1.00 0.00 C ATOM 287 O ASP A 93 -8.856 7.988 1.332 1.00 0.00 O ATOM 288 CB ASP A 93 -6.260 7.123 1.155 1.00 0.00 C ATOM 289 CG ASP A 93 -6.736 7.886 -0.083 1.00 0.00 C ATOM 290 OD1 ASP A 93 -7.180 9.012 0.074 1.00 0.00 O ATOM 291 OD2 ASP A 93 -6.650 7.332 -1.166 1.00 0.00 O ATOM 0 H ASP A 93 -6.455 5.981 3.403 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.172 8.791 2.512 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.173 7.038 1.145 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.659 6.109 1.143 1.00 0.00 H new ATOM 337 N ASN A 97 -6.085 11.360 0.017 1.00 0.00 N ATOM 338 CA ASN A 97 -4.636 11.688 -0.095 1.00 0.00 C ATOM 339 C ASN A 97 -3.953 10.621 -0.951 1.00 0.00 C ATOM 340 O ASN A 97 -3.213 10.922 -1.866 1.00 0.00 O ATOM 341 CB ASN A 97 -3.998 11.721 1.297 1.00 0.00 C ATOM 342 CG ASN A 97 -4.546 10.572 2.146 1.00 0.00 C ATOM 343 OD1 ASN A 97 -3.965 9.404 2.096 1.00 0.00 O flip ATOM 344 ND2 ASN A 97 -5.513 10.740 2.864 1.00 0.00 N flip ATOM 0 HA ASN A 97 -4.517 12.667 -0.558 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.914 11.638 1.212 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.208 12.675 1.781 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -5.967 11.653 2.903 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.870 9.968 3.427 1.00 0.00 H new ATOM 351 N GLY A 98 -4.201 9.375 -0.661 1.00 0.00 N ATOM 352 CA GLY A 98 -3.577 8.281 -1.450 1.00 0.00 C ATOM 353 C GLY A 98 -2.286 7.846 -0.767 1.00 0.00 C ATOM 354 O GLY A 98 -2.167 6.735 -0.290 1.00 0.00 O ATOM 0 H GLY A 98 -4.814 9.067 0.094 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.262 7.437 -1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.369 8.621 -2.465 1.00 0.00 H new ATOM 358 N TYR A 99 -1.322 8.720 -0.711 1.00 0.00 N ATOM 359 CA TYR A 99 -0.029 8.374 -0.061 1.00 0.00 C ATOM 360 C TYR A 99 -0.185 8.454 1.455 1.00 0.00 C ATOM 361 O TYR A 99 -0.702 9.415 1.988 1.00 0.00 O ATOM 362 CB TYR A 99 1.050 9.354 -0.547 1.00 0.00 C ATOM 363 CG TYR A 99 1.067 10.600 0.311 1.00 0.00 C ATOM 364 CD1 TYR A 99 1.649 10.562 1.582 1.00 0.00 C ATOM 365 CD2 TYR A 99 0.502 11.790 -0.164 1.00 0.00 C ATOM 366 CE1 TYR A 99 1.669 11.710 2.381 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.522 12.941 0.634 1.00 0.00 C ATOM 368 CZ TYR A 99 1.105 12.900 1.907 1.00 0.00 C ATOM 369 OH TYR A 99 1.124 14.034 2.694 1.00 0.00 O ATOM 0 H TYR A 99 -1.375 9.665 -1.090 1.00 0.00 H new ATOM 0 HA TYR A 99 0.267 7.359 -0.325 1.00 0.00 H new ATOM 0 HB2 TYR A 99 2.027 8.872 -0.516 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.861 9.624 -1.586 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.084 9.644 1.948 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.051 11.820 -1.145 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.119 11.678 3.362 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.088 13.860 0.268 1.00 0.00 H new ATOM 0 HH TYR A 99 0.692 14.772 2.215 1.00 0.00 H new ATOM 379 N ILE A 100 0.256 7.447 2.151 1.00 0.00 N ATOM 380 CA ILE A 100 0.129 7.466 3.627 1.00 0.00 C ATOM 381 C ILE A 100 1.519 7.423 4.268 1.00 0.00 C ATOM 382 O ILE A 100 2.152 8.443 4.455 1.00 0.00 O ATOM 383 CB ILE A 100 -0.703 6.272 4.102 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.799 5.184 3.019 1.00 0.00 C ATOM 385 CG2 ILE A 100 -2.110 6.757 4.444 1.00 0.00 C ATOM 386 CD1 ILE A 100 -1.667 4.055 3.551 1.00 0.00 C ATOM 0 H ILE A 100 0.698 6.614 1.761 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.375 8.385 3.926 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.216 5.840 4.976 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.229 5.595 2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.194 4.812 2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.713 5.915 4.784 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.055 7.506 5.234 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.568 7.197 3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.748 3.272 2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.216 3.644 4.454 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.660 4.439 3.784 1.00 0.00 H new ATOM 398 N SER A 101 2.000 6.260 4.613 1.00 0.00 N ATOM 399 CA SER A 101 3.346 6.182 5.246 1.00 0.00 C ATOM 400 C SER A 101 3.700 4.722 5.533 1.00 0.00 C ATOM 401 O SER A 101 2.907 3.826 5.324 1.00 0.00 O ATOM 402 CB SER A 101 3.327 6.965 6.557 1.00 0.00 C ATOM 403 OG SER A 101 3.724 8.307 6.309 1.00 0.00 O ATOM 0 H SER A 101 1.523 5.367 4.485 1.00 0.00 H new ATOM 0 HA SER A 101 4.090 6.605 4.571 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.328 6.944 6.992 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.999 6.503 7.280 1.00 0.00 H new ATOM 0 HG SER A 101 4.684 8.333 6.112 1.00 0.00 H new ATOM 409 N ALA A 102 4.888 4.479 6.017 1.00 0.00 N ATOM 410 CA ALA A 102 5.295 3.080 6.325 1.00 0.00 C ATOM 411 C ALA A 102 4.483 2.570 7.516 1.00 0.00 C ATOM 412 O ALA A 102 4.136 1.409 7.594 1.00 0.00 O ATOM 413 CB ALA A 102 6.785 3.047 6.671 1.00 0.00 C ATOM 0 H ALA A 102 5.594 5.189 6.212 1.00 0.00 H new ATOM 0 HA ALA A 102 5.111 2.445 5.458 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.084 2.023 6.897 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.363 3.415 5.824 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.971 3.679 7.539 1.00 0.00 H new ATOM 419 N ALA A 103 4.174 3.433 8.445 1.00 0.00 N ATOM 420 CA ALA A 103 3.383 3.004 9.630 1.00 0.00 C ATOM 421 C ALA A 103 1.967 2.639 9.189 1.00 0.00 C ATOM 422 O ALA A 103 1.256 1.930 9.874 1.00 0.00 O ATOM 423 CB ALA A 103 3.321 4.145 10.647 1.00 0.00 C ATOM 0 H ALA A 103 4.436 4.419 8.433 1.00 0.00 H new ATOM 0 HA ALA A 103 3.858 2.137 10.088 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.741 3.829 11.514 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.331 4.407 10.962 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.846 5.014 10.191 1.00 0.00 H new ATOM 429 N GLU A 104 1.552 3.113 8.048 1.00 0.00 N ATOM 430 CA GLU A 104 0.186 2.782 7.565 1.00 0.00 C ATOM 431 C GLU A 104 0.241 1.458 6.806 1.00 0.00 C ATOM 432 O GLU A 104 -0.593 0.592 6.982 1.00 0.00 O ATOM 433 CB GLU A 104 -0.313 3.890 6.633 1.00 0.00 C ATOM 434 CG GLU A 104 -0.891 5.033 7.470 1.00 0.00 C ATOM 435 CD GLU A 104 0.227 6.009 7.843 1.00 0.00 C ATOM 436 OE1 GLU A 104 1.107 5.613 8.590 1.00 0.00 O ATOM 437 OE2 GLU A 104 0.184 7.135 7.376 1.00 0.00 O ATOM 0 H GLU A 104 2.099 3.714 7.431 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.496 2.696 8.411 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.506 4.256 6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.073 3.498 5.958 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.669 5.551 6.909 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.358 4.637 8.372 1.00 0.00 H new ATOM 444 N LEU A 105 1.226 1.293 5.966 1.00 0.00 N ATOM 445 CA LEU A 105 1.350 0.029 5.196 1.00 0.00 C ATOM 446 C LEU A 105 1.534 -1.145 6.152 1.00 0.00 C ATOM 447 O LEU A 105 1.021 -2.220 5.930 1.00 0.00 O ATOM 448 CB LEU A 105 2.548 0.127 4.259 1.00 0.00 C ATOM 449 CG LEU A 105 2.132 -0.383 2.886 1.00 0.00 C ATOM 450 CD1 LEU A 105 2.459 0.669 1.824 1.00 0.00 C ATOM 451 CD2 LEU A 105 2.886 -1.685 2.586 1.00 0.00 C ATOM 0 H LEU A 105 1.953 1.985 5.781 1.00 0.00 H new ATOM 0 HA LEU A 105 0.444 -0.131 4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.892 1.159 4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.380 -0.462 4.645 1.00 0.00 H new ATOM 0 HG LEU A 105 1.059 -0.574 2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.160 0.301 0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.920 1.590 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.531 0.867 1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.593 -2.057 1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.959 -1.495 2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.642 -2.430 3.343 1.00 0.00 H new ATOM 463 N ARG A 106 2.255 -0.957 7.214 1.00 0.00 N ATOM 464 CA ARG A 106 2.449 -2.079 8.171 1.00 0.00 C ATOM 465 C ARG A 106 1.092 -2.523 8.720 1.00 0.00 C ATOM 466 O ARG A 106 0.848 -3.689 8.957 1.00 0.00 O ATOM 467 CB ARG A 106 3.319 -1.604 9.330 1.00 0.00 C ATOM 468 CG ARG A 106 2.744 -0.313 9.906 1.00 0.00 C ATOM 469 CD ARG A 106 1.892 -0.633 11.135 1.00 0.00 C ATOM 470 NE ARG A 106 2.533 -0.046 12.347 1.00 0.00 N ATOM 471 CZ ARG A 106 1.801 0.289 13.375 1.00 0.00 C ATOM 472 NH1 ARG A 106 0.818 -0.482 13.755 1.00 0.00 N ATOM 473 NH2 ARG A 106 2.053 1.393 14.023 1.00 0.00 N ATOM 0 H ARG A 106 2.717 -0.082 7.463 1.00 0.00 H new ATOM 0 HA ARG A 106 2.930 -2.913 7.660 1.00 0.00 H new ATOM 0 HB2 ARG A 106 3.363 -2.371 10.103 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.340 -1.438 8.987 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.551 0.367 10.178 1.00 0.00 H new ATOM 0 HG3 ARG A 106 2.140 0.195 9.154 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.887 -0.230 11.010 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.790 -1.712 11.250 1.00 0.00 H new ATOM 0 HE ARG A 106 3.543 0.094 12.373 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.622 -1.346 13.249 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.246 -0.221 14.558 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.822 1.994 13.726 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.481 1.655 14.826 1.00 0.00 H new ATOM 487 N HIS A 107 0.226 -1.584 8.953 1.00 0.00 N ATOM 488 CA HIS A 107 -1.118 -1.905 9.526 1.00 0.00 C ATOM 489 C HIS A 107 -2.091 -2.436 8.457 1.00 0.00 C ATOM 490 O HIS A 107 -3.023 -3.149 8.770 1.00 0.00 O ATOM 491 CB HIS A 107 -1.704 -0.634 10.146 1.00 0.00 C ATOM 492 CG HIS A 107 -2.861 -0.993 11.036 1.00 0.00 C ATOM 493 ND1 HIS A 107 -2.730 -1.105 12.411 1.00 0.00 N ATOM 494 CD2 HIS A 107 -4.179 -1.266 10.762 1.00 0.00 C ATOM 495 CE1 HIS A 107 -3.936 -1.431 12.909 1.00 0.00 C ATOM 496 NE2 HIS A 107 -4.856 -1.542 11.947 1.00 0.00 N ATOM 0 H HIS A 107 0.388 -0.594 8.771 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.988 -2.686 10.276 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -0.939 -0.112 10.720 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -2.034 0.047 9.361 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -4.623 -1.266 9.777 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -4.136 -1.584 13.959 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -5.842 -1.778 12.057 1.00 0.00 H new ATOM 504 N VAL A 108 -1.916 -2.086 7.211 1.00 0.00 N ATOM 505 CA VAL A 108 -2.879 -2.577 6.165 1.00 0.00 C ATOM 506 C VAL A 108 -2.401 -3.884 5.544 1.00 0.00 C ATOM 507 O VAL A 108 -3.144 -4.837 5.477 1.00 0.00 O ATOM 508 CB VAL A 108 -3.067 -1.524 5.074 1.00 0.00 C ATOM 509 CG1 VAL A 108 -4.117 -0.519 5.541 1.00 0.00 C ATOM 510 CG2 VAL A 108 -1.745 -0.810 4.800 1.00 0.00 C ATOM 0 H VAL A 108 -1.162 -1.491 6.869 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.835 -2.759 6.656 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.397 -2.003 4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.262 0.240 4.772 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.059 -1.036 5.723 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.780 -0.042 6.462 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.890 -0.062 4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.399 -0.322 5.711 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.001 -1.536 4.472 1.00 0.00 H new ATOM 520 N MET A 109 -1.190 -3.961 5.074 1.00 0.00 N ATOM 521 CA MET A 109 -0.749 -5.246 4.471 1.00 0.00 C ATOM 522 C MET A 109 -0.703 -6.332 5.550 1.00 0.00 C ATOM 523 O MET A 109 -0.535 -7.497 5.260 1.00 0.00 O ATOM 524 CB MET A 109 0.627 -5.075 3.838 1.00 0.00 C ATOM 525 CG MET A 109 0.424 -4.679 2.382 1.00 0.00 C ATOM 526 SD MET A 109 1.916 -5.018 1.426 1.00 0.00 S ATOM 527 CE MET A 109 1.058 -5.445 -0.105 1.00 0.00 C ATOM 0 H MET A 109 -0.500 -3.209 5.080 1.00 0.00 H new ATOM 0 HA MET A 109 -1.457 -5.544 3.698 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.198 -4.311 4.366 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.196 -6.002 3.906 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.418 -5.230 1.962 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.176 -3.620 2.318 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.476 -6.366 -0.511 1.00 0.00 H new ATOM 0 HE2 MET A 109 -0.003 -5.587 0.100 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.183 -4.640 -0.829 1.00 0.00 H new ATOM 537 N THR A 110 -0.863 -5.959 6.794 1.00 0.00 N ATOM 538 CA THR A 110 -0.839 -6.976 7.889 1.00 0.00 C ATOM 539 C THR A 110 -2.224 -7.614 8.016 1.00 0.00 C ATOM 540 O THR A 110 -2.383 -8.675 8.585 1.00 0.00 O ATOM 541 CB THR A 110 -0.465 -6.303 9.209 1.00 0.00 C ATOM 542 OG1 THR A 110 -0.280 -7.294 10.209 1.00 0.00 O ATOM 543 CG2 THR A 110 -1.586 -5.356 9.629 1.00 0.00 C ATOM 0 H THR A 110 -1.009 -4.997 7.099 1.00 0.00 H new ATOM 0 HA THR A 110 -0.101 -7.744 7.655 1.00 0.00 H new ATOM 0 HB THR A 110 0.459 -5.739 9.083 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.039 -6.863 11.056 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.322 -4.874 10.571 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.728 -4.596 8.860 1.00 0.00 H new ATOM 0 HG23 THR A 110 -2.510 -5.920 9.757 1.00 0.00 H new ATOM 551 N ASN A 111 -3.225 -6.976 7.477 1.00 0.00 N ATOM 552 CA ASN A 111 -4.599 -7.538 7.544 1.00 0.00 C ATOM 553 C ASN A 111 -4.933 -8.151 6.187 1.00 0.00 C ATOM 554 O ASN A 111 -5.353 -9.287 6.091 1.00 0.00 O ATOM 555 CB ASN A 111 -5.597 -6.422 7.862 1.00 0.00 C ATOM 556 CG ASN A 111 -5.012 -5.493 8.929 1.00 0.00 C ATOM 557 OD1 ASN A 111 -4.310 -5.934 9.816 1.00 0.00 O ATOM 558 ND2 ASN A 111 -5.276 -4.214 8.878 1.00 0.00 N ATOM 0 H ASN A 111 -3.148 -6.083 6.990 1.00 0.00 H new ATOM 0 HA ASN A 111 -4.657 -8.296 8.325 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.824 -5.856 6.959 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -6.536 -6.850 8.214 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.892 -3.585 9.584 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -5.866 -3.844 8.132 1.00 0.00 H new ATOM 565 N LEU A 112 -4.744 -7.404 5.131 1.00 0.00 N ATOM 566 CA LEU A 112 -5.048 -7.948 3.774 1.00 0.00 C ATOM 567 C LEU A 112 -4.456 -9.350 3.625 1.00 0.00 C ATOM 568 O LEU A 112 -3.618 -9.769 4.398 1.00 0.00 O ATOM 569 CB LEU A 112 -4.450 -7.022 2.702 1.00 0.00 C ATOM 570 CG LEU A 112 -5.249 -5.705 2.578 1.00 0.00 C ATOM 571 CD1 LEU A 112 -5.805 -5.594 1.157 1.00 0.00 C ATOM 572 CD2 LEU A 112 -6.425 -5.672 3.580 1.00 0.00 C ATOM 0 H LEU A 112 -4.394 -6.446 5.148 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.129 -8.003 3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.413 -6.797 2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.442 -7.535 1.740 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.582 -4.872 2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.371 -4.668 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.981 -5.593 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.460 -6.442 0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.970 -4.734 3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.096 -6.507 3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.039 -5.751 4.596 1.00 0.00 H new ATOM 584 N GLY A 113 -4.896 -10.076 2.627 1.00 0.00 N ATOM 585 CA GLY A 113 -4.372 -11.454 2.408 1.00 0.00 C ATOM 586 C GLY A 113 -2.864 -11.462 2.633 1.00 0.00 C ATOM 587 O GLY A 113 -2.286 -12.462 3.010 1.00 0.00 O ATOM 0 H GLY A 113 -5.598 -9.770 1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.857 -12.152 3.090 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.602 -11.786 1.396 1.00 0.00 H new ATOM 591 N GLU A 114 -2.223 -10.350 2.413 1.00 0.00 N ATOM 592 CA GLU A 114 -0.756 -10.290 2.623 1.00 0.00 C ATOM 593 C GLU A 114 -0.451 -10.647 4.078 1.00 0.00 C ATOM 594 O GLU A 114 0.285 -11.572 4.351 1.00 0.00 O ATOM 595 CB GLU A 114 -0.254 -8.879 2.319 1.00 0.00 C ATOM 596 CG GLU A 114 -0.814 -8.421 0.971 1.00 0.00 C ATOM 597 CD GLU A 114 -0.612 -9.525 -0.072 1.00 0.00 C ATOM 598 OE1 GLU A 114 -1.393 -10.462 -0.074 1.00 0.00 O ATOM 599 OE2 GLU A 114 0.319 -9.412 -0.852 1.00 0.00 O ATOM 0 H GLU A 114 -2.654 -9.481 2.097 1.00 0.00 H new ATOM 0 HA GLU A 114 -0.255 -10.995 1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -0.565 -8.193 3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.836 -8.866 2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -1.874 -8.187 1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.314 -7.507 0.650 1.00 0.00 H new ATOM 606 N LYS A 115 -1.028 -9.925 5.008 1.00 0.00 N ATOM 607 CA LYS A 115 -0.794 -10.209 6.457 1.00 0.00 C ATOM 608 C LYS A 115 0.644 -10.678 6.683 1.00 0.00 C ATOM 609 O LYS A 115 0.957 -11.845 6.548 1.00 0.00 O ATOM 610 CB LYS A 115 -1.769 -11.290 6.934 1.00 0.00 C ATOM 611 CG LYS A 115 -2.094 -12.241 5.780 1.00 0.00 C ATOM 612 CD LYS A 115 -3.159 -13.247 6.228 1.00 0.00 C ATOM 613 CE LYS A 115 -2.793 -13.806 7.606 1.00 0.00 C ATOM 614 NZ LYS A 115 -3.441 -15.135 7.794 1.00 0.00 N ATOM 0 H LYS A 115 -1.657 -9.144 4.822 1.00 0.00 H new ATOM 0 HA LYS A 115 -0.958 -9.293 7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -1.332 -11.846 7.764 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -2.684 -10.829 7.306 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -2.452 -11.676 4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -1.193 -12.767 5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -4.135 -12.764 6.268 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -3.234 -14.058 5.504 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -1.711 -13.902 7.695 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -3.118 -13.118 8.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.192 -15.513 8.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -4.474 -15.030 7.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -3.111 -15.790 7.057 1.00 0.00 H new ATOM 628 N LEU A 116 1.520 -9.779 7.031 1.00 0.00 N ATOM 629 CA LEU A 116 2.931 -10.166 7.272 1.00 0.00 C ATOM 630 C LEU A 116 3.376 -9.588 8.621 1.00 0.00 C ATOM 631 O LEU A 116 2.840 -9.942 9.652 1.00 0.00 O ATOM 632 CB LEU A 116 3.828 -9.663 6.121 1.00 0.00 C ATOM 633 CG LEU A 116 3.512 -8.204 5.745 1.00 0.00 C ATOM 634 CD1 LEU A 116 4.531 -7.725 4.709 1.00 0.00 C ATOM 635 CD2 LEU A 116 2.117 -8.101 5.124 1.00 0.00 C ATOM 0 H LEU A 116 1.315 -8.788 7.159 1.00 0.00 H new ATOM 0 HA LEU A 116 3.021 -11.252 7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.875 -9.744 6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.691 -10.301 5.248 1.00 0.00 H new ATOM 0 HG LEU A 116 3.555 -7.594 6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.315 -6.692 4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.534 -7.787 5.130 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.471 -8.355 3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.910 -7.063 4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.073 -8.716 4.225 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.373 -8.451 5.840 1.00 0.00 H new ATOM 647 N THR A 117 4.332 -8.702 8.641 1.00 0.00 N ATOM 648 CA THR A 117 4.769 -8.121 9.942 1.00 0.00 C ATOM 649 C THR A 117 4.861 -6.603 9.800 1.00 0.00 C ATOM 650 O THR A 117 4.256 -6.018 8.924 1.00 0.00 O ATOM 651 CB THR A 117 6.137 -8.687 10.321 1.00 0.00 C ATOM 652 OG1 THR A 117 6.444 -9.783 9.472 1.00 0.00 O ATOM 653 CG2 THR A 117 6.110 -9.154 11.775 1.00 0.00 C ATOM 0 H THR A 117 4.827 -8.356 7.819 1.00 0.00 H new ATOM 0 HA THR A 117 4.050 -8.375 10.721 1.00 0.00 H new ATOM 0 HB THR A 117 6.898 -7.915 10.205 1.00 0.00 H new ATOM 0 HG1 THR A 117 7.322 -10.147 9.712 1.00 0.00 H new ATOM 0 HG21 THR A 117 7.086 -9.558 12.046 1.00 0.00 H new ATOM 0 HG22 THR A 117 5.874 -8.311 12.424 1.00 0.00 H new ATOM 0 HG23 THR A 117 5.351 -9.927 11.895 1.00 0.00 H new ATOM 661 N ASP A 118 5.616 -5.956 10.642 1.00 0.00 N ATOM 662 CA ASP A 118 5.743 -4.476 10.531 1.00 0.00 C ATOM 663 C ASP A 118 7.162 -4.130 10.081 1.00 0.00 C ATOM 664 O ASP A 118 7.442 -3.025 9.657 1.00 0.00 O ATOM 665 CB ASP A 118 5.460 -3.833 11.889 1.00 0.00 C ATOM 666 CG ASP A 118 5.061 -2.370 11.684 1.00 0.00 C ATOM 667 OD1 ASP A 118 5.633 -1.734 10.813 1.00 0.00 O ATOM 668 OD2 ASP A 118 4.187 -1.910 12.401 1.00 0.00 O ATOM 0 H ASP A 118 6.149 -6.385 11.399 1.00 0.00 H new ATOM 0 HA ASP A 118 5.026 -4.098 9.803 1.00 0.00 H new ATOM 0 HB2 ASP A 118 4.661 -4.371 12.400 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.343 -3.895 12.525 1.00 0.00 H new ATOM 673 N GLU A 119 8.061 -5.071 10.165 1.00 0.00 N ATOM 674 CA GLU A 119 9.461 -4.806 9.738 1.00 0.00 C ATOM 675 C GLU A 119 9.586 -5.075 8.239 1.00 0.00 C ATOM 676 O GLU A 119 9.922 -4.202 7.468 1.00 0.00 O ATOM 677 CB GLU A 119 10.411 -5.734 10.499 1.00 0.00 C ATOM 678 CG GLU A 119 10.722 -5.139 11.874 1.00 0.00 C ATOM 679 CD GLU A 119 10.145 -6.044 12.965 1.00 0.00 C ATOM 680 OE1 GLU A 119 10.415 -7.234 12.924 1.00 0.00 O ATOM 681 OE2 GLU A 119 9.446 -5.532 13.823 1.00 0.00 O ATOM 0 H GLU A 119 7.885 -6.014 10.512 1.00 0.00 H new ATOM 0 HA GLU A 119 9.719 -3.768 9.951 1.00 0.00 H new ATOM 0 HB2 GLU A 119 9.959 -6.719 10.612 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.333 -5.869 9.934 1.00 0.00 H new ATOM 0 HG2 GLU A 119 11.800 -5.038 12.003 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.296 -4.139 11.954 1.00 0.00 H new ATOM 688 N GLU A 120 9.319 -6.283 7.826 1.00 0.00 N ATOM 689 CA GLU A 120 9.422 -6.621 6.377 1.00 0.00 C ATOM 690 C GLU A 120 8.496 -5.716 5.555 1.00 0.00 C ATOM 691 O GLU A 120 8.676 -5.560 4.364 1.00 0.00 O ATOM 692 CB GLU A 120 9.037 -8.089 6.143 1.00 0.00 C ATOM 693 CG GLU A 120 8.037 -8.560 7.207 1.00 0.00 C ATOM 694 CD GLU A 120 6.973 -7.484 7.435 1.00 0.00 C ATOM 695 OE1 GLU A 120 6.121 -7.337 6.585 1.00 0.00 O ATOM 696 OE2 GLU A 120 7.032 -6.822 8.455 1.00 0.00 O ATOM 0 H GLU A 120 9.033 -7.053 8.431 1.00 0.00 H new ATOM 0 HA GLU A 120 10.453 -6.465 6.061 1.00 0.00 H new ATOM 0 HB2 GLU A 120 8.601 -8.203 5.150 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.929 -8.714 6.173 1.00 0.00 H new ATOM 0 HG2 GLU A 120 7.564 -9.489 6.888 1.00 0.00 H new ATOM 0 HG3 GLU A 120 8.559 -8.771 8.140 1.00 0.00 H new ATOM 703 N VAL A 121 7.516 -5.105 6.169 1.00 0.00 N ATOM 704 CA VAL A 121 6.614 -4.205 5.389 1.00 0.00 C ATOM 705 C VAL A 121 7.224 -2.807 5.365 1.00 0.00 C ATOM 706 O VAL A 121 7.393 -2.208 4.321 1.00 0.00 O ATOM 707 CB VAL A 121 5.193 -4.143 5.991 1.00 0.00 C ATOM 708 CG1 VAL A 121 5.238 -3.952 7.508 1.00 0.00 C ATOM 709 CG2 VAL A 121 4.434 -2.969 5.364 1.00 0.00 C ATOM 0 H VAL A 121 7.303 -5.188 7.163 1.00 0.00 H new ATOM 0 HA VAL A 121 6.520 -4.604 4.379 1.00 0.00 H new ATOM 0 HB VAL A 121 4.690 -5.086 5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.222 -3.912 7.900 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.771 -4.786 7.964 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.754 -3.021 7.742 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.430 -2.919 5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 121 4.963 -2.039 5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.369 -3.112 4.285 1.00 0.00 H new ATOM 719 N ASP A 122 7.569 -2.283 6.507 1.00 0.00 N ATOM 720 CA ASP A 122 8.184 -0.928 6.541 1.00 0.00 C ATOM 721 C ASP A 122 9.508 -0.971 5.778 1.00 0.00 C ATOM 722 O ASP A 122 10.048 0.044 5.385 1.00 0.00 O ATOM 723 CB ASP A 122 8.439 -0.512 7.991 1.00 0.00 C ATOM 724 CG ASP A 122 9.097 0.868 8.017 1.00 0.00 C ATOM 725 OD1 ASP A 122 9.101 1.519 6.985 1.00 0.00 O ATOM 726 OD2 ASP A 122 9.586 1.250 9.067 1.00 0.00 O ATOM 0 H ASP A 122 7.452 -2.732 7.415 1.00 0.00 H new ATOM 0 HA ASP A 122 7.512 -0.205 6.079 1.00 0.00 H new ATOM 0 HB2 ASP A 122 7.500 -0.490 8.545 1.00 0.00 H new ATOM 0 HB3 ASP A 122 9.082 -1.242 8.483 1.00 0.00 H new ATOM 731 N GLU A 123 10.024 -2.148 5.551 1.00 0.00 N ATOM 732 CA GLU A 123 11.300 -2.274 4.799 1.00 0.00 C ATOM 733 C GLU A 123 10.969 -2.405 3.316 1.00 0.00 C ATOM 734 O GLU A 123 11.610 -1.815 2.468 1.00 0.00 O ATOM 735 CB GLU A 123 12.053 -3.521 5.268 1.00 0.00 C ATOM 736 CG GLU A 123 13.171 -3.113 6.229 1.00 0.00 C ATOM 737 CD GLU A 123 13.880 -4.365 6.747 1.00 0.00 C ATOM 738 OE1 GLU A 123 14.169 -5.235 5.941 1.00 0.00 O ATOM 739 OE2 GLU A 123 14.124 -4.435 7.940 1.00 0.00 O ATOM 0 H GLU A 123 9.613 -3.030 5.856 1.00 0.00 H new ATOM 0 HA GLU A 123 11.926 -1.398 4.971 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.367 -4.208 5.763 1.00 0.00 H new ATOM 0 HB3 GLU A 123 12.471 -4.050 4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 123 13.883 -2.463 5.720 1.00 0.00 H new ATOM 0 HG3 GLU A 123 12.759 -2.544 7.063 1.00 0.00 H new ATOM 746 N MET A 124 9.959 -3.167 2.998 1.00 0.00 N ATOM 747 CA MET A 124 9.568 -3.330 1.574 1.00 0.00 C ATOM 748 C MET A 124 9.030 -1.996 1.060 1.00 0.00 C ATOM 749 O MET A 124 8.926 -1.774 -0.129 1.00 0.00 O ATOM 750 CB MET A 124 8.481 -4.401 1.457 1.00 0.00 C ATOM 751 CG MET A 124 8.822 -5.353 0.309 1.00 0.00 C ATOM 752 SD MET A 124 9.178 -4.394 -1.184 1.00 0.00 S ATOM 753 CE MET A 124 10.648 -5.315 -1.699 1.00 0.00 C ATOM 0 H MET A 124 9.388 -3.684 3.666 1.00 0.00 H new ATOM 0 HA MET A 124 10.432 -3.636 0.984 1.00 0.00 H new ATOM 0 HB2 MET A 124 8.401 -4.956 2.392 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.513 -3.933 1.280 1.00 0.00 H new ATOM 0 HG2 MET A 124 9.683 -5.966 0.574 1.00 0.00 H new ATOM 0 HG3 MET A 124 7.990 -6.034 0.127 1.00 0.00 H new ATOM 0 HE1 MET A 124 11.042 -4.886 -2.620 1.00 0.00 H new ATOM 0 HE2 MET A 124 11.406 -5.257 -0.918 1.00 0.00 H new ATOM 0 HE3 MET A 124 10.382 -6.358 -1.870 1.00 0.00 H new ATOM 763 N ILE A 125 8.689 -1.102 1.951 1.00 0.00 N ATOM 764 CA ILE A 125 8.164 0.217 1.512 1.00 0.00 C ATOM 765 C ILE A 125 9.287 0.983 0.810 1.00 0.00 C ATOM 766 O ILE A 125 9.049 1.775 -0.080 1.00 0.00 O ATOM 767 CB ILE A 125 7.631 0.985 2.737 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.108 1.036 2.651 1.00 0.00 C ATOM 769 CG2 ILE A 125 8.177 2.419 2.787 1.00 0.00 C ATOM 770 CD1 ILE A 125 5.503 0.416 3.914 1.00 0.00 C ATOM 0 H ILE A 125 8.752 -1.231 2.961 1.00 0.00 H new ATOM 0 HA ILE A 125 7.340 0.093 0.810 1.00 0.00 H new ATOM 0 HB ILE A 125 7.958 0.468 3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.774 2.068 2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.765 0.497 1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.779 2.929 3.664 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.265 2.392 2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 125 7.875 2.955 1.887 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.415 0.453 3.852 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.827 -0.621 4.001 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.836 0.975 4.789 1.00 0.00 H new ATOM 782 N ARG A 126 10.513 0.742 1.188 1.00 0.00 N ATOM 783 CA ARG A 126 11.637 1.446 0.517 1.00 0.00 C ATOM 784 C ARG A 126 11.481 1.250 -0.989 1.00 0.00 C ATOM 785 O ARG A 126 11.992 2.009 -1.786 1.00 0.00 O ATOM 786 CB ARG A 126 12.969 0.854 0.985 1.00 0.00 C ATOM 787 CG ARG A 126 13.038 0.901 2.513 1.00 0.00 C ATOM 788 CD ARG A 126 14.387 0.356 2.981 1.00 0.00 C ATOM 789 NE ARG A 126 14.491 -1.087 2.624 1.00 0.00 N ATOM 790 CZ ARG A 126 15.617 -1.723 2.798 1.00 0.00 C ATOM 791 NH1 ARG A 126 16.417 -1.380 3.769 1.00 0.00 N ATOM 792 NH2 ARG A 126 15.944 -2.702 1.998 1.00 0.00 N ATOM 0 H ARG A 126 10.781 0.093 1.927 1.00 0.00 H new ATOM 0 HA ARG A 126 11.624 2.508 0.763 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.064 -0.175 0.637 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.799 1.414 0.555 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.907 1.925 2.862 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.227 0.312 2.942 1.00 0.00 H new ATOM 0 HD2 ARG A 126 15.198 0.916 2.516 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.488 0.483 4.059 1.00 0.00 H new ATOM 0 HE ARG A 126 13.682 -1.578 2.244 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.163 -0.614 4.393 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.297 -1.878 3.905 1.00 0.00 H new ATOM 0 HH21 ARG A 126 15.319 -2.969 1.237 1.00 0.00 H new ATOM 0 HH22 ARG A 126 16.824 -3.199 2.134 1.00 0.00 H new ATOM 806 N GLU A 127 10.765 0.231 -1.378 1.00 0.00 N ATOM 807 CA GLU A 127 10.549 -0.031 -2.824 1.00 0.00 C ATOM 808 C GLU A 127 9.464 0.911 -3.353 1.00 0.00 C ATOM 809 O GLU A 127 9.572 1.446 -4.439 1.00 0.00 O ATOM 810 CB GLU A 127 10.097 -1.480 -3.011 1.00 0.00 C ATOM 811 CG GLU A 127 10.160 -1.850 -4.493 1.00 0.00 C ATOM 812 CD GLU A 127 11.562 -2.359 -4.833 1.00 0.00 C ATOM 813 OE1 GLU A 127 12.444 -1.535 -5.006 1.00 0.00 O ATOM 814 OE2 GLU A 127 11.730 -3.565 -4.914 1.00 0.00 O ATOM 0 H GLU A 127 10.318 -0.435 -0.748 1.00 0.00 H new ATOM 0 HA GLU A 127 11.477 0.137 -3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.734 -2.148 -2.432 1.00 0.00 H new ATOM 0 HB3 GLU A 127 9.081 -1.606 -2.637 1.00 0.00 H new ATOM 0 HG2 GLU A 127 9.419 -2.616 -4.719 1.00 0.00 H new ATOM 0 HG3 GLU A 127 9.918 -0.982 -5.106 1.00 0.00 H new ATOM 821 N ALA A 128 8.415 1.121 -2.598 1.00 0.00 N ATOM 822 CA ALA A 128 7.332 2.028 -3.072 1.00 0.00 C ATOM 823 C ALA A 128 7.628 3.459 -2.617 1.00 0.00 C ATOM 824 O ALA A 128 7.988 4.310 -3.405 1.00 0.00 O ATOM 825 CB ALA A 128 5.994 1.574 -2.488 1.00 0.00 C ATOM 0 H ALA A 128 8.264 0.705 -1.679 1.00 0.00 H new ATOM 0 HA ALA A 128 7.283 1.996 -4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 128 5.202 2.238 -2.835 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.782 0.555 -2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.043 1.605 -1.400 1.00 0.00 H new ATOM 831 N ASP A 129 7.478 3.729 -1.350 1.00 0.00 N ATOM 832 CA ASP A 129 7.748 5.104 -0.842 1.00 0.00 C ATOM 833 C ASP A 129 9.260 5.321 -0.737 1.00 0.00 C ATOM 834 O ASP A 129 9.959 4.576 -0.079 1.00 0.00 O ATOM 835 CB ASP A 129 7.107 5.266 0.538 1.00 0.00 C ATOM 836 CG ASP A 129 7.378 6.675 1.066 1.00 0.00 C ATOM 837 OD1 ASP A 129 7.701 7.534 0.262 1.00 0.00 O ATOM 838 OD2 ASP A 129 7.257 6.871 2.264 1.00 0.00 O ATOM 0 H ASP A 129 7.180 3.056 -0.643 1.00 0.00 H new ATOM 0 HA ASP A 129 7.326 5.839 -1.528 1.00 0.00 H new ATOM 0 HB2 ASP A 129 6.033 5.091 0.474 1.00 0.00 H new ATOM 0 HB3 ASP A 129 7.511 4.524 1.227 1.00 0.00 H new ATOM 893 N GLY A 134 4.415 11.296 -2.720 1.00 0.00 N ATOM 894 CA GLY A 134 3.739 11.000 -1.426 1.00 0.00 C ATOM 895 C GLY A 134 4.382 9.763 -0.798 1.00 0.00 C ATOM 896 O GLY A 134 4.918 8.918 -1.489 1.00 0.00 O ATOM 0 HA2 GLY A 134 3.826 11.852 -0.752 1.00 0.00 H new ATOM 0 HA3 GLY A 134 2.675 10.830 -1.588 1.00 0.00 H new ATOM 900 N GLN A 135 4.340 9.647 0.502 1.00 0.00 N ATOM 901 CA GLN A 135 4.957 8.460 1.162 1.00 0.00 C ATOM 902 C GLN A 135 4.607 7.197 0.375 1.00 0.00 C ATOM 903 O GLN A 135 5.311 6.808 -0.536 1.00 0.00 O ATOM 904 CB GLN A 135 4.432 8.332 2.593 1.00 0.00 C ATOM 905 CG GLN A 135 5.099 9.386 3.479 1.00 0.00 C ATOM 906 CD GLN A 135 6.256 8.747 4.249 1.00 0.00 C ATOM 907 OE1 GLN A 135 6.044 7.913 5.107 1.00 0.00 O ATOM 908 NE2 GLN A 135 7.481 9.104 3.976 1.00 0.00 N ATOM 0 H GLN A 135 3.907 10.320 1.134 1.00 0.00 H new ATOM 0 HA GLN A 135 6.040 8.585 1.186 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.350 8.462 2.607 1.00 0.00 H new ATOM 0 HB3 GLN A 135 4.638 7.334 2.979 1.00 0.00 H new ATOM 0 HG2 GLN A 135 5.466 10.211 2.868 1.00 0.00 H new ATOM 0 HG3 GLN A 135 4.372 9.804 4.175 1.00 0.00 H new ATOM 0 HE21 GLN A 135 7.660 9.804 3.256 1.00 0.00 H new ATOM 0 HE22 GLN A 135 8.260 8.683 4.483 1.00 0.00 H new ATOM 917 N VAL A 136 3.526 6.549 0.715 1.00 0.00 N ATOM 918 CA VAL A 136 3.143 5.310 -0.023 1.00 0.00 C ATOM 919 C VAL A 136 1.692 5.420 -0.489 1.00 0.00 C ATOM 920 O VAL A 136 0.769 5.186 0.265 1.00 0.00 O ATOM 921 CB VAL A 136 3.282 4.085 0.888 1.00 0.00 C ATOM 922 CG1 VAL A 136 3.940 2.949 0.104 1.00 0.00 C ATOM 923 CG2 VAL A 136 4.137 4.428 2.114 1.00 0.00 C ATOM 0 H VAL A 136 2.894 6.821 1.468 1.00 0.00 H new ATOM 0 HA VAL A 136 3.803 5.197 -0.883 1.00 0.00 H new ATOM 0 HB VAL A 136 2.293 3.777 1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 136 4.042 2.075 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 136 3.322 2.696 -0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 136 4.926 3.265 -0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 136 4.227 3.549 2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 136 5.128 4.744 1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.664 5.235 2.673 1.00 0.00 H new ATOM 933 N ASN A 137 1.477 5.770 -1.727 1.00 0.00 N ATOM 934 CA ASN A 137 0.079 5.887 -2.224 1.00 0.00 C ATOM 935 C ASN A 137 -0.404 4.527 -2.707 1.00 0.00 C ATOM 936 O ASN A 137 0.224 3.522 -2.468 1.00 0.00 O ATOM 937 CB ASN A 137 0.011 6.905 -3.360 1.00 0.00 C ATOM 938 CG ASN A 137 0.866 6.432 -4.540 1.00 0.00 C ATOM 939 OD1 ASN A 137 0.367 5.812 -5.455 1.00 0.00 O ATOM 940 ND2 ASN A 137 2.140 6.705 -4.562 1.00 0.00 N ATOM 0 H ASN A 137 2.204 5.979 -2.411 1.00 0.00 H new ATOM 0 HA ASN A 137 -0.565 6.228 -1.413 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.023 7.037 -3.679 1.00 0.00 H new ATOM 0 HB3 ASN A 137 0.363 7.876 -3.011 1.00 0.00 H new ATOM 0 HD21 ASN A 137 2.714 6.397 -5.347 1.00 0.00 H new ATOM 0 HD22 ASN A 137 2.563 7.226 -3.794 1.00 0.00 H new ATOM 947 N TYR A 138 -1.528 4.482 -3.367 1.00 0.00 N ATOM 948 CA TYR A 138 -2.050 3.171 -3.840 1.00 0.00 C ATOM 949 C TYR A 138 -1.219 2.717 -5.022 1.00 0.00 C ATOM 950 O TYR A 138 -0.851 1.564 -5.136 1.00 0.00 O ATOM 951 CB TYR A 138 -3.509 3.315 -4.270 1.00 0.00 C ATOM 952 CG TYR A 138 -4.381 3.469 -3.048 1.00 0.00 C ATOM 953 CD1 TYR A 138 -3.841 3.964 -1.856 1.00 0.00 C ATOM 954 CD2 TYR A 138 -5.734 3.122 -3.106 1.00 0.00 C ATOM 955 CE1 TYR A 138 -4.643 4.110 -0.730 1.00 0.00 C ATOM 956 CE2 TYR A 138 -6.537 3.274 -1.976 1.00 0.00 C ATOM 957 CZ TYR A 138 -5.992 3.766 -0.789 1.00 0.00 C ATOM 958 OH TYR A 138 -6.786 3.912 0.320 1.00 0.00 O ATOM 0 H TYR A 138 -2.104 5.291 -3.598 1.00 0.00 H new ATOM 0 HA TYR A 138 -1.990 2.440 -3.034 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.623 4.180 -4.923 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -3.818 2.441 -4.843 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -2.796 4.234 -1.810 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -6.156 2.738 -4.023 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -4.221 4.489 0.189 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -7.583 3.010 -2.019 1.00 0.00 H new ATOM 0 HH TYR A 138 -7.729 3.893 0.052 1.00 0.00 H new ATOM 968 N GLU A 139 -0.916 3.617 -5.903 1.00 0.00 N ATOM 969 CA GLU A 139 -0.103 3.236 -7.075 1.00 0.00 C ATOM 970 C GLU A 139 1.250 2.713 -6.585 1.00 0.00 C ATOM 971 O GLU A 139 1.843 1.836 -7.180 1.00 0.00 O ATOM 972 CB GLU A 139 0.111 4.446 -7.991 1.00 0.00 C ATOM 973 CG GLU A 139 -1.115 5.359 -7.939 1.00 0.00 C ATOM 974 CD GLU A 139 -1.166 6.220 -9.203 1.00 0.00 C ATOM 975 OE1 GLU A 139 -0.598 7.299 -9.185 1.00 0.00 O ATOM 976 OE2 GLU A 139 -1.773 5.785 -10.168 1.00 0.00 O ATOM 0 H GLU A 139 -1.196 4.597 -5.862 1.00 0.00 H new ATOM 0 HA GLU A 139 -0.621 2.462 -7.641 1.00 0.00 H new ATOM 0 HB2 GLU A 139 0.999 4.996 -7.680 1.00 0.00 H new ATOM 0 HB3 GLU A 139 0.284 4.113 -9.014 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -2.023 4.762 -7.857 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -1.071 5.995 -7.055 1.00 0.00 H new ATOM 983 N GLU A 140 1.735 3.240 -5.489 1.00 0.00 N ATOM 984 CA GLU A 140 3.041 2.769 -4.945 1.00 0.00 C ATOM 985 C GLU A 140 2.778 1.701 -3.882 1.00 0.00 C ATOM 986 O GLU A 140 3.674 1.005 -3.446 1.00 0.00 O ATOM 987 CB GLU A 140 3.792 3.936 -4.303 1.00 0.00 C ATOM 988 CG GLU A 140 5.243 3.940 -4.788 1.00 0.00 C ATOM 989 CD GLU A 140 5.390 4.921 -5.952 1.00 0.00 C ATOM 990 OE1 GLU A 140 4.854 4.638 -7.011 1.00 0.00 O ATOM 991 OE2 GLU A 140 6.036 5.938 -5.766 1.00 0.00 O ATOM 0 H GLU A 140 1.281 3.976 -4.948 1.00 0.00 H new ATOM 0 HA GLU A 140 3.643 2.357 -5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 140 3.309 4.879 -4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 140 3.761 3.848 -3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 140 5.909 4.224 -3.973 1.00 0.00 H new ATOM 0 HG3 GLU A 140 5.535 2.938 -5.104 1.00 0.00 H new ATOM 998 N PHE A 141 1.548 1.569 -3.466 1.00 0.00 N ATOM 999 CA PHE A 141 1.203 0.553 -2.436 1.00 0.00 C ATOM 1000 C PHE A 141 0.816 -0.745 -3.139 1.00 0.00 C ATOM 1001 O PHE A 141 0.699 -1.788 -2.527 1.00 0.00 O ATOM 1002 CB PHE A 141 0.023 1.063 -1.600 1.00 0.00 C ATOM 1003 CG PHE A 141 -0.356 0.030 -0.569 1.00 0.00 C ATOM 1004 CD1 PHE A 141 0.626 -0.789 -0.014 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -1.693 -0.106 -0.165 1.00 0.00 C ATOM 1006 CE1 PHE A 141 0.281 -1.742 0.941 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -2.040 -1.062 0.796 1.00 0.00 C ATOM 1008 CZ PHE A 141 -1.051 -1.882 1.351 1.00 0.00 C ATOM 0 H PHE A 141 0.762 2.127 -3.800 1.00 0.00 H new ATOM 0 HA PHE A 141 2.056 0.375 -1.781 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.291 1.999 -1.109 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -0.829 1.274 -2.247 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.655 -0.684 -0.325 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -2.454 0.527 -0.596 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.044 -2.376 1.368 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -3.068 -1.167 1.109 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.314 -2.621 2.093 1.00 0.00 H new ATOM 1018 N VAL A 142 0.620 -0.687 -4.429 1.00 0.00 N ATOM 1019 CA VAL A 142 0.245 -1.912 -5.181 1.00 0.00 C ATOM 1020 C VAL A 142 1.512 -2.699 -5.522 1.00 0.00 C ATOM 1021 O VAL A 142 1.460 -3.867 -5.854 1.00 0.00 O ATOM 1022 CB VAL A 142 -0.469 -1.513 -6.474 1.00 0.00 C ATOM 1023 CG1 VAL A 142 0.422 -0.566 -7.278 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -0.758 -2.767 -7.303 1.00 0.00 C ATOM 0 H VAL A 142 0.704 0.159 -4.993 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.418 -2.529 -4.574 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.406 -1.012 -6.232 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.087 -0.282 -8.199 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.630 0.327 -6.688 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.359 -1.067 -7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.267 -2.485 -8.225 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.180 -3.267 -7.545 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.393 -3.443 -6.731 1.00 0.00 H new ATOM 1034 N GLN A 143 2.650 -2.066 -5.441 1.00 0.00 N ATOM 1035 CA GLN A 143 3.920 -2.775 -5.760 1.00 0.00 C ATOM 1036 C GLN A 143 4.230 -3.783 -4.654 1.00 0.00 C ATOM 1037 O GLN A 143 4.984 -4.716 -4.845 1.00 0.00 O ATOM 1038 CB GLN A 143 5.061 -1.760 -5.859 1.00 0.00 C ATOM 1039 CG GLN A 143 6.398 -2.500 -5.942 1.00 0.00 C ATOM 1040 CD GLN A 143 7.494 -1.527 -6.383 1.00 0.00 C ATOM 1041 OE1 GLN A 143 8.386 -1.895 -7.122 1.00 0.00 O ATOM 1042 NE2 GLN A 143 7.464 -0.293 -5.960 1.00 0.00 N ATOM 0 H GLN A 143 2.755 -1.089 -5.168 1.00 0.00 H new ATOM 0 HA GLN A 143 3.816 -3.297 -6.711 1.00 0.00 H new ATOM 0 HB2 GLN A 143 4.927 -1.131 -6.739 1.00 0.00 H new ATOM 0 HB3 GLN A 143 5.052 -1.101 -4.991 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.648 -2.931 -4.972 1.00 0.00 H new ATOM 0 HG3 GLN A 143 6.325 -3.327 -6.649 1.00 0.00 H new ATOM 0 HE21 GLN A 143 6.715 0.015 -5.340 1.00 0.00 H new ATOM 0 HE22 GLN A 143 8.189 0.363 -6.250 1.00 0.00 H new ATOM 1051 N MET A 144 3.654 -3.606 -3.495 1.00 0.00 N ATOM 1052 CA MET A 144 3.920 -4.558 -2.382 1.00 0.00 C ATOM 1053 C MET A 144 2.953 -5.740 -2.490 1.00 0.00 C ATOM 1054 O MET A 144 3.340 -6.886 -2.386 1.00 0.00 O ATOM 1055 CB MET A 144 3.716 -3.864 -1.028 1.00 0.00 C ATOM 1056 CG MET A 144 4.193 -2.413 -1.093 1.00 0.00 C ATOM 1057 SD MET A 144 5.790 -2.263 -0.257 1.00 0.00 S ATOM 1058 CE MET A 144 6.774 -1.879 -1.726 1.00 0.00 C ATOM 0 H MET A 144 3.013 -2.845 -3.273 1.00 0.00 H new ATOM 0 HA MET A 144 4.950 -4.907 -2.452 1.00 0.00 H new ATOM 0 HB2 MET A 144 2.662 -3.894 -0.752 1.00 0.00 H new ATOM 0 HB3 MET A 144 4.264 -4.399 -0.252 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.283 -2.095 -2.132 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.461 -1.757 -0.622 1.00 0.00 H new ATOM 0 HE1 MET A 144 7.329 -2.765 -2.034 1.00 0.00 H new ATOM 0 HE2 MET A 144 6.114 -1.565 -2.534 1.00 0.00 H new ATOM 0 HE3 MET A 144 7.473 -1.075 -1.496 1.00 0.00 H new ATOM 1068 N MET A 145 1.693 -5.463 -2.693 1.00 0.00 N ATOM 1069 CA MET A 145 0.689 -6.564 -2.802 1.00 0.00 C ATOM 1070 C MET A 145 0.997 -7.429 -4.026 1.00 0.00 C ATOM 1071 O MET A 145 0.825 -8.632 -4.003 1.00 0.00 O ATOM 1072 CB MET A 145 -0.718 -5.971 -2.937 1.00 0.00 C ATOM 1073 CG MET A 145 -0.665 -4.693 -3.779 1.00 0.00 C ATOM 1074 SD MET A 145 -2.049 -4.674 -4.945 1.00 0.00 S ATOM 1075 CE MET A 145 -2.678 -3.024 -4.536 1.00 0.00 C ATOM 0 H MET A 145 1.314 -4.521 -2.788 1.00 0.00 H new ATOM 0 HA MET A 145 0.738 -7.179 -1.904 1.00 0.00 H new ATOM 0 HB2 MET A 145 -1.385 -6.697 -3.403 1.00 0.00 H new ATOM 0 HB3 MET A 145 -1.126 -5.751 -1.950 1.00 0.00 H new ATOM 0 HG2 MET A 145 -0.710 -3.817 -3.132 1.00 0.00 H new ATOM 0 HG3 MET A 145 0.280 -4.641 -4.320 1.00 0.00 H new ATOM 0 HE1 MET A 145 -3.736 -3.090 -4.283 1.00 0.00 H new ATOM 0 HE2 MET A 145 -2.126 -2.625 -3.685 1.00 0.00 H new ATOM 0 HE3 MET A 145 -2.550 -2.363 -5.393 1.00 0.00 H new ATOM 1085 N THR A 146 1.446 -6.834 -5.096 1.00 0.00 N ATOM 1086 CA THR A 146 1.755 -7.638 -6.314 1.00 0.00 C ATOM 1087 C THR A 146 3.152 -7.284 -6.828 1.00 0.00 C ATOM 1088 O THR A 146 3.387 -7.218 -8.018 1.00 0.00 O ATOM 1089 CB THR A 146 0.720 -7.336 -7.400 1.00 0.00 C ATOM 1090 OG1 THR A 146 1.092 -7.996 -8.602 1.00 0.00 O ATOM 1091 CG2 THR A 146 0.654 -5.828 -7.642 1.00 0.00 C ATOM 0 H THR A 146 1.612 -5.831 -5.181 1.00 0.00 H new ATOM 0 HA THR A 146 1.723 -8.698 -6.063 1.00 0.00 H new ATOM 0 HB THR A 146 -0.259 -7.691 -7.078 1.00 0.00 H new ATOM 0 HG1 THR A 146 1.962 -7.661 -8.903 1.00 0.00 H new ATOM 0 HG21 THR A 146 -0.084 -5.616 -8.416 1.00 0.00 H new ATOM 0 HG22 THR A 146 0.367 -5.324 -6.719 1.00 0.00 H new ATOM 0 HG23 THR A 146 1.631 -5.468 -7.964 1.00 0.00 H new