USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN :FLIP amide:sc= -0.133 F(o=-1.8,f=-0.13) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -112:sc= -0.215 USER MOD Single : A 107 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.0032) USER MOD Single : A 109 MET CE :methyl 171:sc= -1.27 (180deg=-1.55) USER MOD Single : A 110 THR OG1 : rot 56:sc=0.000767 USER MOD Single : A 111 ASN : amide:sc= -1.77! C(o=-1.8!,f=-4.3!) USER MOD Single : A 115 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0664) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.0943 USER MOD Single : A 124 MET CE :methyl -142:sc= -4.96! (180deg=-9.02!) USER MOD Single : A 135 GLN : amide:sc= -8.58! C(o=-8.6!,f=-9.9!) USER MOD Single : A 137 ASN : amide:sc= -3.35! C(o=-3.4!,f=-5.2!) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.483 USER MOD Single : A 143 GLN : amide:sc= -3.33! C(o=-3.3!,f=-6.9!) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -164:sc= -3.18! (180deg=-3.86!) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 106 N GLU A 83 -15.622 -2.174 0.090 1.00 0.00 N ATOM 107 CA GLU A 83 -14.928 -0.954 0.588 1.00 0.00 C ATOM 108 C GLU A 83 -13.829 -1.345 1.580 1.00 0.00 C ATOM 109 O GLU A 83 -13.162 -0.499 2.142 1.00 0.00 O ATOM 110 CB GLU A 83 -15.938 -0.041 1.286 1.00 0.00 C ATOM 111 CG GLU A 83 -17.042 0.351 0.300 1.00 0.00 C ATOM 112 CD GLU A 83 -17.787 1.577 0.831 1.00 0.00 C ATOM 113 OE1 GLU A 83 -18.463 1.445 1.837 1.00 0.00 O ATOM 114 OE2 GLU A 83 -17.667 2.628 0.223 1.00 0.00 O ATOM 0 HA GLU A 83 -14.480 -0.430 -0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -16.370 -0.551 2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.438 0.852 1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -16.611 0.569 -0.677 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -17.735 -0.479 0.165 1.00 0.00 H new ATOM 121 N GLU A 84 -13.631 -2.616 1.802 1.00 0.00 N ATOM 122 CA GLU A 84 -12.572 -3.045 2.758 1.00 0.00 C ATOM 123 C GLU A 84 -11.240 -2.411 2.356 1.00 0.00 C ATOM 124 O GLU A 84 -10.323 -2.318 3.148 1.00 0.00 O ATOM 125 CB GLU A 84 -12.442 -4.569 2.726 1.00 0.00 C ATOM 126 CG GLU A 84 -11.464 -5.023 3.812 1.00 0.00 C ATOM 127 CD GLU A 84 -12.222 -5.805 4.886 1.00 0.00 C ATOM 128 OE1 GLU A 84 -13.250 -5.321 5.329 1.00 0.00 O ATOM 129 OE2 GLU A 84 -11.759 -6.874 5.249 1.00 0.00 O ATOM 0 H GLU A 84 -14.155 -3.373 1.364 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.839 -2.726 3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.417 -5.031 2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.090 -4.894 1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.683 -5.646 3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.971 -4.159 4.256 1.00 0.00 H new ATOM 136 N ILE A 85 -11.125 -1.974 1.132 1.00 0.00 N ATOM 137 CA ILE A 85 -9.855 -1.348 0.680 1.00 0.00 C ATOM 138 C ILE A 85 -9.742 0.059 1.265 1.00 0.00 C ATOM 139 O ILE A 85 -8.684 0.485 1.670 1.00 0.00 O ATOM 140 CB ILE A 85 -9.839 -1.268 -0.844 1.00 0.00 C ATOM 141 CG1 ILE A 85 -9.898 -2.678 -1.420 1.00 0.00 C ATOM 142 CG2 ILE A 85 -8.556 -0.577 -1.308 1.00 0.00 C ATOM 143 CD1 ILE A 85 -10.885 -2.705 -2.585 1.00 0.00 C ATOM 0 H ILE A 85 -11.859 -2.025 0.425 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.013 -1.951 1.021 1.00 0.00 H new ATOM 0 HB ILE A 85 -10.700 -0.695 -1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.909 -2.987 -1.759 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.207 -3.385 -0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.546 -0.521 -2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.514 0.430 -0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.692 -1.147 -0.966 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.930 -3.712 -3.000 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -11.874 -2.414 -2.231 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.556 -2.009 -3.357 1.00 0.00 H new ATOM 155 N ARG A 86 -10.821 0.788 1.315 1.00 0.00 N ATOM 156 CA ARG A 86 -10.757 2.165 1.882 1.00 0.00 C ATOM 157 C ARG A 86 -9.979 2.132 3.195 1.00 0.00 C ATOM 158 O ARG A 86 -9.304 3.076 3.553 1.00 0.00 O ATOM 159 CB ARG A 86 -12.172 2.673 2.142 1.00 0.00 C ATOM 160 CG ARG A 86 -12.424 3.931 1.308 1.00 0.00 C ATOM 161 CD ARG A 86 -12.519 5.144 2.233 1.00 0.00 C ATOM 162 NE ARG A 86 -11.966 6.344 1.541 1.00 0.00 N ATOM 163 CZ ARG A 86 -12.772 7.209 0.986 1.00 0.00 C ATOM 164 NH1 ARG A 86 -13.325 8.144 1.708 1.00 0.00 N ATOM 165 NH2 ARG A 86 -13.027 7.138 -0.293 1.00 0.00 N ATOM 0 H ARG A 86 -11.741 0.492 0.989 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.257 2.829 1.177 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.899 1.902 1.886 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.301 2.894 3.201 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.617 4.071 0.588 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.346 3.823 0.736 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.557 5.320 2.514 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.967 4.956 3.154 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.957 6.489 1.501 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.128 8.200 2.707 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.954 8.819 1.273 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.597 6.407 -0.859 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.657 7.814 -0.726 1.00 0.00 H new ATOM 179 N GLU A 87 -10.064 1.048 3.910 1.00 0.00 N ATOM 180 CA GLU A 87 -9.324 0.949 5.199 1.00 0.00 C ATOM 181 C GLU A 87 -7.954 0.324 4.944 1.00 0.00 C ATOM 182 O GLU A 87 -6.940 0.850 5.353 1.00 0.00 O ATOM 183 CB GLU A 87 -10.116 0.087 6.180 1.00 0.00 C ATOM 184 CG GLU A 87 -11.446 0.775 6.498 1.00 0.00 C ATOM 185 CD GLU A 87 -12.512 -0.280 6.801 1.00 0.00 C ATOM 186 OE1 GLU A 87 -12.474 -1.328 6.177 1.00 0.00 O ATOM 187 OE2 GLU A 87 -13.347 -0.021 7.650 1.00 0.00 O ATOM 0 H GLU A 87 -10.613 0.226 3.659 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.194 1.943 5.626 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.297 -0.899 5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.543 -0.063 7.095 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.327 1.441 7.352 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.759 1.391 5.655 1.00 0.00 H new ATOM 194 N ALA A 88 -7.912 -0.785 4.259 1.00 0.00 N ATOM 195 CA ALA A 88 -6.603 -1.429 3.965 1.00 0.00 C ATOM 196 C ALA A 88 -5.616 -0.352 3.509 1.00 0.00 C ATOM 197 O ALA A 88 -4.419 -0.487 3.655 1.00 0.00 O ATOM 198 CB ALA A 88 -6.782 -2.466 2.854 1.00 0.00 C ATOM 0 H ALA A 88 -8.728 -1.273 3.890 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.223 -1.925 4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.823 -2.938 2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.495 -3.225 3.176 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.155 -1.975 1.955 1.00 0.00 H new ATOM 204 N PHE A 89 -6.116 0.725 2.962 1.00 0.00 N ATOM 205 CA PHE A 89 -5.224 1.816 2.507 1.00 0.00 C ATOM 206 C PHE A 89 -4.498 2.396 3.710 1.00 0.00 C ATOM 207 O PHE A 89 -3.289 2.451 3.750 1.00 0.00 O ATOM 208 CB PHE A 89 -6.052 2.918 1.852 1.00 0.00 C ATOM 209 CG PHE A 89 -5.136 4.063 1.506 1.00 0.00 C ATOM 210 CD1 PHE A 89 -4.251 3.940 0.433 1.00 0.00 C ATOM 211 CD2 PHE A 89 -5.165 5.242 2.262 1.00 0.00 C ATOM 212 CE1 PHE A 89 -3.394 4.994 0.106 1.00 0.00 C ATOM 213 CE2 PHE A 89 -4.307 6.302 1.935 1.00 0.00 C ATOM 214 CZ PHE A 89 -3.421 6.177 0.857 1.00 0.00 C ATOM 0 H PHE A 89 -7.111 0.891 2.813 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.507 1.422 1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.542 2.541 0.955 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.839 3.253 2.528 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.229 3.028 -0.145 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.847 5.334 3.095 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.711 4.897 -0.725 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.329 7.214 2.514 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.759 6.992 0.605 1.00 0.00 H new ATOM 224 N ARG A 90 -5.239 2.826 4.688 1.00 0.00 N ATOM 225 CA ARG A 90 -4.622 3.404 5.909 1.00 0.00 C ATOM 226 C ARG A 90 -3.744 2.346 6.576 1.00 0.00 C ATOM 227 O ARG A 90 -2.697 2.644 7.116 1.00 0.00 O ATOM 228 CB ARG A 90 -5.738 3.821 6.862 1.00 0.00 C ATOM 229 CG ARG A 90 -5.622 5.311 7.173 1.00 0.00 C ATOM 230 CD ARG A 90 -6.601 5.693 8.293 1.00 0.00 C ATOM 231 NE ARG A 90 -7.038 4.470 9.030 1.00 0.00 N ATOM 232 CZ ARG A 90 -8.219 3.956 8.808 1.00 0.00 C ATOM 233 NH1 ARG A 90 -8.864 4.245 7.711 1.00 0.00 N ATOM 234 NH2 ARG A 90 -8.751 3.147 9.684 1.00 0.00 N ATOM 0 H ARG A 90 -6.259 2.801 4.693 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.010 4.269 5.653 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.709 3.608 6.415 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.677 3.242 7.783 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.602 5.549 7.474 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.835 5.895 6.278 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.124 6.391 8.981 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.468 6.202 7.871 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.413 4.035 9.708 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.447 4.873 7.024 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.786 3.843 7.540 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.245 2.917 10.539 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.673 2.745 9.513 1.00 0.00 H new ATOM 248 N VAL A 91 -4.162 1.110 6.533 1.00 0.00 N ATOM 249 CA VAL A 91 -3.354 0.023 7.151 1.00 0.00 C ATOM 250 C VAL A 91 -1.885 0.243 6.787 1.00 0.00 C ATOM 251 O VAL A 91 -0.988 -0.122 7.519 1.00 0.00 O ATOM 252 CB VAL A 91 -3.834 -1.328 6.610 1.00 0.00 C ATOM 253 CG1 VAL A 91 -2.809 -2.413 6.932 1.00 0.00 C ATOM 254 CG2 VAL A 91 -5.172 -1.687 7.262 1.00 0.00 C ATOM 0 H VAL A 91 -5.032 0.806 6.095 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.467 0.031 8.235 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.955 -1.259 5.529 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.158 -3.370 6.544 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.855 -2.160 6.470 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.682 -2.484 8.012 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.517 -2.648 6.880 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.045 -1.751 8.343 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.908 -0.918 7.029 1.00 0.00 H new ATOM 264 N PHE A 92 -1.641 0.859 5.661 1.00 0.00 N ATOM 265 CA PHE A 92 -0.240 1.133 5.237 1.00 0.00 C ATOM 266 C PHE A 92 0.047 2.625 5.417 1.00 0.00 C ATOM 267 O PHE A 92 1.159 3.030 5.690 1.00 0.00 O ATOM 268 CB PHE A 92 -0.077 0.770 3.761 1.00 0.00 C ATOM 269 CG PHE A 92 -0.175 -0.726 3.591 1.00 0.00 C ATOM 270 CD1 PHE A 92 0.976 -1.517 3.684 1.00 0.00 C ATOM 271 CD2 PHE A 92 -1.417 -1.322 3.340 1.00 0.00 C ATOM 272 CE1 PHE A 92 0.886 -2.906 3.524 1.00 0.00 C ATOM 273 CE2 PHE A 92 -1.507 -2.708 3.180 1.00 0.00 C ATOM 274 CZ PHE A 92 -0.357 -3.501 3.272 1.00 0.00 C ATOM 0 H PHE A 92 -2.358 1.186 5.013 1.00 0.00 H new ATOM 0 HA PHE A 92 0.450 0.542 5.838 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.847 1.264 3.168 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.886 1.125 3.393 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.933 -1.057 3.879 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.305 -0.711 3.270 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.774 -3.517 3.595 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.465 -3.167 2.985 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.428 -4.572 3.149 1.00 0.00 H new ATOM 284 N ASP A 93 -0.958 3.441 5.260 1.00 0.00 N ATOM 285 CA ASP A 93 -0.777 4.908 5.409 1.00 0.00 C ATOM 286 C ASP A 93 -1.004 5.301 6.868 1.00 0.00 C ATOM 287 O ASP A 93 -2.059 5.775 7.240 1.00 0.00 O ATOM 288 CB ASP A 93 -1.793 5.618 4.516 1.00 0.00 C ATOM 289 CG ASP A 93 -1.425 7.098 4.390 1.00 0.00 C ATOM 290 OD1 ASP A 93 -1.277 7.741 5.417 1.00 0.00 O ATOM 291 OD2 ASP A 93 -1.299 7.563 3.270 1.00 0.00 O ATOM 0 H ASP A 93 -1.908 3.148 5.032 1.00 0.00 H new ATOM 0 HA ASP A 93 0.233 5.195 5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.812 5.153 3.530 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.794 5.517 4.936 1.00 0.00 H new ATOM 296 N LYS A 94 -0.021 5.097 7.699 1.00 0.00 N ATOM 297 CA LYS A 94 -0.165 5.440 9.135 1.00 0.00 C ATOM 298 C LYS A 94 0.264 6.885 9.365 1.00 0.00 C ATOM 299 O LYS A 94 -0.049 7.484 10.375 1.00 0.00 O ATOM 300 CB LYS A 94 0.733 4.516 9.941 1.00 0.00 C ATOM 301 CG LYS A 94 0.493 3.063 9.518 1.00 0.00 C ATOM 302 CD LYS A 94 -0.968 2.680 9.776 1.00 0.00 C ATOM 303 CE LYS A 94 -1.114 2.168 11.209 1.00 0.00 C ATOM 304 NZ LYS A 94 -2.028 3.069 11.966 1.00 0.00 N ATOM 0 H LYS A 94 0.883 4.703 7.439 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.204 5.324 9.443 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.778 4.782 9.785 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.530 4.633 11.005 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.730 2.939 8.461 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.156 2.399 10.073 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.615 3.543 9.619 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.284 1.912 9.070 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.508 1.152 11.205 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.139 2.130 11.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.128 2.722 12.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.634 4.031 11.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.961 3.083 11.506 1.00 0.00 H new ATOM 318 N ASP A 95 0.972 7.450 8.436 1.00 0.00 N ATOM 319 CA ASP A 95 1.418 8.861 8.599 1.00 0.00 C ATOM 320 C ASP A 95 0.237 9.794 8.309 1.00 0.00 C ATOM 321 O ASP A 95 0.357 11.001 8.386 1.00 0.00 O ATOM 322 CB ASP A 95 2.554 9.154 7.615 1.00 0.00 C ATOM 323 CG ASP A 95 3.382 10.336 8.123 1.00 0.00 C ATOM 324 OD1 ASP A 95 3.840 10.273 9.252 1.00 0.00 O ATOM 325 OD2 ASP A 95 3.547 11.283 7.373 1.00 0.00 O ATOM 0 H ASP A 95 1.263 6.999 7.569 1.00 0.00 H new ATOM 0 HA ASP A 95 1.773 9.021 9.617 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.188 8.274 7.504 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.146 9.380 6.630 1.00 0.00 H new ATOM 330 N GLY A 96 -0.907 9.236 7.992 1.00 0.00 N ATOM 331 CA GLY A 96 -2.110 10.074 7.711 1.00 0.00 C ATOM 332 C GLY A 96 -1.711 11.339 6.949 1.00 0.00 C ATOM 333 O GLY A 96 -2.078 12.437 7.319 1.00 0.00 O ATOM 0 H GLY A 96 -1.057 8.230 7.916 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.831 9.502 7.127 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.600 10.344 8.647 1.00 0.00 H new ATOM 337 N ASN A 97 -0.966 11.198 5.890 1.00 0.00 N ATOM 338 CA ASN A 97 -0.554 12.403 5.114 1.00 0.00 C ATOM 339 C ASN A 97 -1.312 12.441 3.784 1.00 0.00 C ATOM 340 O ASN A 97 -1.611 13.495 3.259 1.00 0.00 O ATOM 341 CB ASN A 97 0.958 12.358 4.858 1.00 0.00 C ATOM 342 CG ASN A 97 1.266 11.393 3.710 1.00 0.00 C ATOM 343 OD1 ASN A 97 1.702 11.870 2.575 1.00 0.00 O flip ATOM 344 ND2 ASN A 97 1.111 10.197 3.847 1.00 0.00 N flip ATOM 0 H ASN A 97 -0.625 10.307 5.528 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.791 13.302 5.684 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.324 13.355 4.614 1.00 0.00 H new ATOM 0 HB3 ASN A 97 1.479 12.040 5.761 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.770 9.825 4.734 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.321 9.564 3.075 1.00 0.00 H new ATOM 351 N GLY A 98 -1.625 11.299 3.237 1.00 0.00 N ATOM 352 CA GLY A 98 -2.363 11.268 1.943 1.00 0.00 C ATOM 353 C GLY A 98 -1.770 10.179 1.052 1.00 0.00 C ATOM 354 O GLY A 98 -2.477 9.347 0.514 1.00 0.00 O ATOM 0 H GLY A 98 -1.401 10.385 3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.421 11.074 2.119 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.294 12.237 1.448 1.00 0.00 H new ATOM 358 N TYR A 99 -0.476 10.172 0.896 1.00 0.00 N ATOM 359 CA TYR A 99 0.166 9.136 0.049 1.00 0.00 C ATOM 360 C TYR A 99 1.032 8.236 0.926 1.00 0.00 C ATOM 361 O TYR A 99 1.630 8.675 1.888 1.00 0.00 O ATOM 362 CB TYR A 99 1.060 9.793 -1.002 1.00 0.00 C ATOM 363 CG TYR A 99 0.285 10.810 -1.795 1.00 0.00 C ATOM 364 CD1 TYR A 99 -1.113 10.757 -1.854 1.00 0.00 C ATOM 365 CD2 TYR A 99 0.978 11.806 -2.482 1.00 0.00 C ATOM 366 CE1 TYR A 99 -1.814 11.711 -2.599 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.282 12.757 -3.228 1.00 0.00 C ATOM 368 CZ TYR A 99 -1.115 12.712 -3.288 1.00 0.00 C ATOM 369 OH TYR A 99 -1.805 13.653 -4.026 1.00 0.00 O ATOM 0 H TYR A 99 0.164 10.842 1.321 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.612 8.554 -0.446 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.909 10.273 -0.516 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.463 9.033 -1.671 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.648 9.982 -1.326 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.056 11.841 -2.436 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.893 11.676 -2.643 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.821 13.528 -3.759 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.170 14.275 -4.439 1.00 0.00 H new ATOM 379 N ILE A 100 1.114 6.983 0.592 1.00 0.00 N ATOM 380 CA ILE A 100 1.948 6.050 1.388 1.00 0.00 C ATOM 381 C ILE A 100 3.410 6.177 0.952 1.00 0.00 C ATOM 382 O ILE A 100 3.718 6.171 -0.223 1.00 0.00 O ATOM 383 CB ILE A 100 1.465 4.628 1.129 1.00 0.00 C ATOM 384 CG1 ILE A 100 0.088 4.442 1.781 1.00 0.00 C ATOM 385 CG2 ILE A 100 2.462 3.634 1.734 1.00 0.00 C ATOM 386 CD1 ILE A 100 -0.557 3.145 1.292 1.00 0.00 C ATOM 0 H ILE A 100 0.635 6.562 -0.204 1.00 0.00 H new ATOM 0 HA ILE A 100 1.867 6.287 2.449 1.00 0.00 H new ATOM 0 HB ILE A 100 1.389 4.451 0.056 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.191 4.419 2.866 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.554 5.289 1.540 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.118 2.616 1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.441 3.775 1.275 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.537 3.803 2.808 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.533 3.024 1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.678 3.184 0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.079 2.300 1.556 1.00 0.00 H new ATOM 398 N SER A 101 4.311 6.290 1.888 1.00 0.00 N ATOM 399 CA SER A 101 5.749 6.412 1.522 1.00 0.00 C ATOM 400 C SER A 101 6.418 5.041 1.644 1.00 0.00 C ATOM 401 O SER A 101 5.795 4.070 2.027 1.00 0.00 O ATOM 402 CB SER A 101 6.435 7.402 2.463 1.00 0.00 C ATOM 403 OG SER A 101 6.347 6.918 3.797 1.00 0.00 O ATOM 0 H SER A 101 4.114 6.303 2.889 1.00 0.00 H new ATOM 0 HA SER A 101 5.836 6.772 0.497 1.00 0.00 H new ATOM 0 HB2 SER A 101 7.479 7.529 2.178 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.962 8.381 2.387 1.00 0.00 H new ATOM 0 HG SER A 101 5.763 7.506 4.320 1.00 0.00 H new ATOM 409 N ALA A 102 7.679 4.951 1.322 1.00 0.00 N ATOM 410 CA ALA A 102 8.376 3.638 1.420 1.00 0.00 C ATOM 411 C ALA A 102 8.447 3.211 2.885 1.00 0.00 C ATOM 412 O ALA A 102 8.262 2.055 3.214 1.00 0.00 O ATOM 413 CB ALA A 102 9.791 3.765 0.853 1.00 0.00 C ATOM 0 H ALA A 102 8.255 5.727 0.996 1.00 0.00 H new ATOM 0 HA ALA A 102 7.826 2.890 0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.300 2.804 0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.738 4.070 -0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.345 4.512 1.421 1.00 0.00 H new ATOM 419 N ALA A 103 8.712 4.131 3.768 1.00 0.00 N ATOM 420 CA ALA A 103 8.794 3.779 5.208 1.00 0.00 C ATOM 421 C ALA A 103 7.407 3.384 5.714 1.00 0.00 C ATOM 422 O ALA A 103 7.270 2.563 6.597 1.00 0.00 O ATOM 423 CB ALA A 103 9.310 4.977 6.006 1.00 0.00 C ATOM 0 H ALA A 103 8.876 5.114 3.552 1.00 0.00 H new ATOM 0 HA ALA A 103 9.481 2.942 5.336 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.368 4.713 7.062 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.301 5.254 5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.629 5.819 5.879 1.00 0.00 H new ATOM 429 N GLU A 104 6.376 3.957 5.155 1.00 0.00 N ATOM 430 CA GLU A 104 5.001 3.600 5.602 1.00 0.00 C ATOM 431 C GLU A 104 4.651 2.221 5.051 1.00 0.00 C ATOM 432 O GLU A 104 3.850 1.499 5.610 1.00 0.00 O ATOM 433 CB GLU A 104 4.007 4.635 5.073 1.00 0.00 C ATOM 434 CG GLU A 104 4.285 5.989 5.727 1.00 0.00 C ATOM 435 CD GLU A 104 3.486 7.076 5.008 1.00 0.00 C ATOM 436 OE1 GLU A 104 2.269 7.011 5.045 1.00 0.00 O ATOM 437 OE2 GLU A 104 4.105 7.956 4.433 1.00 0.00 O ATOM 0 H GLU A 104 6.426 4.654 4.412 1.00 0.00 H new ATOM 0 HA GLU A 104 4.953 3.586 6.691 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.094 4.718 3.990 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.986 4.318 5.288 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.011 5.959 6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.350 6.215 5.681 1.00 0.00 H new ATOM 444 N LEU A 105 5.257 1.849 3.956 1.00 0.00 N ATOM 445 CA LEU A 105 4.975 0.514 3.365 1.00 0.00 C ATOM 446 C LEU A 105 5.811 -0.538 4.093 1.00 0.00 C ATOM 447 O LEU A 105 5.449 -1.695 4.159 1.00 0.00 O ATOM 448 CB LEU A 105 5.342 0.530 1.881 1.00 0.00 C ATOM 449 CG LEU A 105 4.526 -0.530 1.141 1.00 0.00 C ATOM 450 CD1 LEU A 105 4.723 -0.365 -0.364 1.00 0.00 C ATOM 451 CD2 LEU A 105 5.000 -1.919 1.565 1.00 0.00 C ATOM 0 H LEU A 105 5.936 2.414 3.446 1.00 0.00 H new ATOM 0 HA LEU A 105 3.917 0.276 3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.146 1.515 1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.407 0.336 1.757 1.00 0.00 H new ATOM 0 HG LEU A 105 3.470 -0.413 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.141 -1.121 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.390 0.627 -0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.779 -0.484 -0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.420 -2.678 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.056 -2.034 1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.863 -2.038 2.640 1.00 0.00 H new ATOM 463 N ARG A 106 6.925 -0.141 4.651 1.00 0.00 N ATOM 464 CA ARG A 106 7.781 -1.115 5.387 1.00 0.00 C ATOM 465 C ARG A 106 7.097 -1.461 6.713 1.00 0.00 C ATOM 466 O ARG A 106 6.981 -2.612 7.088 1.00 0.00 O ATOM 467 CB ARG A 106 9.156 -0.477 5.642 1.00 0.00 C ATOM 468 CG ARG A 106 9.846 -1.141 6.839 1.00 0.00 C ATOM 469 CD ARG A 106 9.916 -0.147 7.999 1.00 0.00 C ATOM 470 NE ARG A 106 10.709 -0.738 9.114 1.00 0.00 N ATOM 471 CZ ARG A 106 10.328 -1.858 9.663 1.00 0.00 C ATOM 472 NH1 ARG A 106 9.152 -1.942 10.222 1.00 0.00 N ATOM 473 NH2 ARG A 106 11.124 -2.893 9.655 1.00 0.00 N ATOM 0 H ARG A 106 7.278 0.816 4.628 1.00 0.00 H new ATOM 0 HA ARG A 106 7.917 -2.026 4.805 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.780 -0.578 4.754 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.038 0.590 5.829 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.296 -2.032 7.142 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.849 -1.464 6.561 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.375 0.784 7.666 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.911 0.098 8.343 1.00 0.00 H new ATOM 0 HE ARG A 106 11.550 -0.267 9.448 1.00 0.00 H new ATOM 0 HH11 ARG A 106 8.532 -1.132 10.229 1.00 0.00 H new ATOM 0 HH12 ARG A 106 8.853 -2.817 10.652 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.044 -2.826 9.219 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.826 -3.769 10.084 1.00 0.00 H new ATOM 487 N HIS A 107 6.648 -0.467 7.422 1.00 0.00 N ATOM 488 CA HIS A 107 5.971 -0.708 8.727 1.00 0.00 C ATOM 489 C HIS A 107 5.041 -1.925 8.629 1.00 0.00 C ATOM 490 O HIS A 107 4.924 -2.699 9.558 1.00 0.00 O ATOM 491 CB HIS A 107 5.158 0.540 9.094 1.00 0.00 C ATOM 492 CG HIS A 107 4.145 0.205 10.157 1.00 0.00 C ATOM 493 ND1 HIS A 107 4.514 -0.219 11.424 1.00 0.00 N ATOM 494 CD2 HIS A 107 2.773 0.227 10.153 1.00 0.00 C ATOM 495 CE1 HIS A 107 3.385 -0.434 12.123 1.00 0.00 C ATOM 496 NE2 HIS A 107 2.295 -0.178 11.397 1.00 0.00 N ATOM 0 H HIS A 107 6.721 0.514 7.152 1.00 0.00 H new ATOM 0 HA HIS A 107 6.718 -0.908 9.495 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.824 1.325 9.451 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.653 0.928 8.209 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.158 0.515 9.313 1.00 0.00 H new ATOM 0 HE1 HIS A 107 3.363 -0.773 13.148 1.00 0.00 H new ATOM 0 HE2 HIS A 107 1.322 -0.261 11.690 1.00 0.00 H new ATOM 504 N VAL A 108 4.366 -2.094 7.525 1.00 0.00 N ATOM 505 CA VAL A 108 3.436 -3.251 7.395 1.00 0.00 C ATOM 506 C VAL A 108 4.114 -4.394 6.640 1.00 0.00 C ATOM 507 O VAL A 108 3.795 -5.550 6.828 1.00 0.00 O ATOM 508 CB VAL A 108 2.187 -2.812 6.632 1.00 0.00 C ATOM 509 CG1 VAL A 108 1.171 -3.954 6.619 1.00 0.00 C ATOM 510 CG2 VAL A 108 1.574 -1.590 7.319 1.00 0.00 C ATOM 0 H VAL A 108 4.418 -1.483 6.710 1.00 0.00 H new ATOM 0 HA VAL A 108 3.161 -3.598 8.391 1.00 0.00 H new ATOM 0 HB VAL A 108 2.457 -2.555 5.608 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.280 -3.642 6.075 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.608 -4.824 6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.900 -4.211 7.643 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.683 -1.276 6.776 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.303 -1.846 8.343 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.299 -0.776 7.328 1.00 0.00 H new ATOM 520 N MET A 109 5.040 -4.081 5.782 1.00 0.00 N ATOM 521 CA MET A 109 5.733 -5.150 5.010 1.00 0.00 C ATOM 522 C MET A 109 6.525 -6.046 5.965 1.00 0.00 C ATOM 523 O MET A 109 6.908 -7.147 5.624 1.00 0.00 O ATOM 524 CB MET A 109 6.688 -4.510 4.002 1.00 0.00 C ATOM 525 CG MET A 109 5.981 -4.354 2.655 1.00 0.00 C ATOM 526 SD MET A 109 5.965 -5.945 1.791 1.00 0.00 S ATOM 527 CE MET A 109 4.856 -5.457 0.447 1.00 0.00 C ATOM 0 H MET A 109 5.349 -3.130 5.580 1.00 0.00 H new ATOM 0 HA MET A 109 4.993 -5.752 4.482 1.00 0.00 H new ATOM 0 HB2 MET A 109 7.019 -3.537 4.366 1.00 0.00 H new ATOM 0 HB3 MET A 109 7.579 -5.127 3.887 1.00 0.00 H new ATOM 0 HG2 MET A 109 4.961 -4.001 2.807 1.00 0.00 H new ATOM 0 HG3 MET A 109 6.491 -3.605 2.050 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.828 -6.245 -0.306 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.853 -5.297 0.843 1.00 0.00 H new ATOM 0 HE3 MET A 109 5.218 -4.535 -0.007 1.00 0.00 H new ATOM 537 N THR A 110 6.772 -5.585 7.161 1.00 0.00 N ATOM 538 CA THR A 110 7.538 -6.417 8.132 1.00 0.00 C ATOM 539 C THR A 110 6.571 -7.302 8.918 1.00 0.00 C ATOM 540 O THR A 110 6.960 -8.285 9.517 1.00 0.00 O ATOM 541 CB THR A 110 8.296 -5.509 9.100 1.00 0.00 C ATOM 542 OG1 THR A 110 8.743 -6.272 10.212 1.00 0.00 O ATOM 543 CG2 THR A 110 7.368 -4.398 9.579 1.00 0.00 C ATOM 0 H THR A 110 6.478 -4.672 7.507 1.00 0.00 H new ATOM 0 HA THR A 110 8.248 -7.042 7.591 1.00 0.00 H new ATOM 0 HB THR A 110 9.157 -5.070 8.595 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.282 -7.027 9.895 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.905 -3.748 10.270 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.026 -3.815 8.724 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.508 -4.836 10.086 1.00 0.00 H new ATOM 551 N ASN A 111 5.312 -6.960 8.922 1.00 0.00 N ATOM 552 CA ASN A 111 4.318 -7.779 9.670 1.00 0.00 C ATOM 553 C ASN A 111 4.336 -9.216 9.141 1.00 0.00 C ATOM 554 O ASN A 111 3.724 -9.527 8.140 1.00 0.00 O ATOM 555 CB ASN A 111 2.921 -7.182 9.482 1.00 0.00 C ATOM 556 CG ASN A 111 2.784 -5.921 10.337 1.00 0.00 C ATOM 557 OD1 ASN A 111 3.384 -4.906 10.043 1.00 0.00 O ATOM 558 ND2 ASN A 111 2.013 -5.941 11.390 1.00 0.00 N ATOM 0 H ASN A 111 4.929 -6.148 8.439 1.00 0.00 H new ATOM 0 HA ASN A 111 4.573 -7.781 10.730 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.755 -6.942 8.432 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.162 -7.911 9.766 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.914 -5.105 11.966 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.509 -6.793 11.637 1.00 0.00 H new ATOM 565 N LEU A 112 5.035 -10.095 9.809 1.00 0.00 N ATOM 566 CA LEU A 112 5.092 -11.511 9.348 1.00 0.00 C ATOM 567 C LEU A 112 5.713 -11.572 7.952 1.00 0.00 C ATOM 568 O LEU A 112 5.645 -12.580 7.276 1.00 0.00 O ATOM 569 CB LEU A 112 3.677 -12.089 9.296 1.00 0.00 C ATOM 570 CG LEU A 112 2.985 -11.870 10.640 1.00 0.00 C ATOM 571 CD1 LEU A 112 1.598 -11.271 10.406 1.00 0.00 C ATOM 572 CD2 LEU A 112 2.844 -13.210 11.366 1.00 0.00 C ATOM 0 H LEU A 112 5.569 -9.892 10.654 1.00 0.00 H new ATOM 0 HA LEU A 112 5.699 -12.091 10.043 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.107 -11.611 8.500 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.716 -13.153 9.065 1.00 0.00 H new ATOM 0 HG LEU A 112 3.579 -11.188 11.248 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.103 -11.114 11.364 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.696 -10.317 9.888 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.004 -11.954 9.799 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.350 -13.054 12.325 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.249 -13.892 10.758 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.832 -13.640 11.532 1.00 0.00 H new ATOM 584 N GLY A 113 6.319 -10.505 7.514 1.00 0.00 N ATOM 585 CA GLY A 113 6.943 -10.507 6.161 1.00 0.00 C ATOM 586 C GLY A 113 8.449 -10.282 6.296 1.00 0.00 C ATOM 587 O GLY A 113 9.047 -9.546 5.539 1.00 0.00 O ATOM 0 H GLY A 113 6.410 -9.632 8.033 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.749 -11.456 5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.501 -9.725 5.544 1.00 0.00 H new ATOM 591 N GLU A 114 9.068 -10.912 7.258 1.00 0.00 N ATOM 592 CA GLU A 114 10.534 -10.731 7.441 1.00 0.00 C ATOM 593 C GLU A 114 10.848 -9.231 7.532 1.00 0.00 C ATOM 594 O GLU A 114 10.283 -8.527 8.346 1.00 0.00 O ATOM 595 CB GLU A 114 11.273 -11.365 6.260 1.00 0.00 C ATOM 596 CG GLU A 114 10.772 -12.796 6.056 1.00 0.00 C ATOM 597 CD GLU A 114 11.614 -13.759 6.895 1.00 0.00 C ATOM 598 OE1 GLU A 114 11.721 -13.535 8.090 1.00 0.00 O ATOM 599 OE2 GLU A 114 12.138 -14.704 6.330 1.00 0.00 O ATOM 0 H GLU A 114 8.621 -11.543 7.923 1.00 0.00 H new ATOM 0 HA GLU A 114 10.862 -11.217 8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.108 -10.778 5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 114 12.347 -11.367 6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.723 -12.869 6.343 1.00 0.00 H new ATOM 0 HG3 GLU A 114 10.834 -13.067 5.002 1.00 0.00 H new ATOM 606 N LYS A 115 11.741 -8.725 6.717 1.00 0.00 N ATOM 607 CA LYS A 115 12.063 -7.272 6.792 1.00 0.00 C ATOM 608 C LYS A 115 12.240 -6.702 5.383 1.00 0.00 C ATOM 609 O LYS A 115 12.888 -7.291 4.540 1.00 0.00 O ATOM 610 CB LYS A 115 13.358 -7.084 7.579 1.00 0.00 C ATOM 611 CG LYS A 115 13.087 -6.198 8.796 1.00 0.00 C ATOM 612 CD LYS A 115 13.316 -7.003 10.077 1.00 0.00 C ATOM 613 CE LYS A 115 14.157 -6.177 11.052 1.00 0.00 C ATOM 614 NZ LYS A 115 13.372 -4.992 11.504 1.00 0.00 N ATOM 0 H LYS A 115 12.255 -9.252 6.011 1.00 0.00 H new ATOM 0 HA LYS A 115 11.247 -6.748 7.290 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.746 -8.051 7.898 1.00 0.00 H new ATOM 0 HB3 LYS A 115 14.119 -6.628 6.945 1.00 0.00 H new ATOM 0 HG2 LYS A 115 13.743 -5.328 8.779 1.00 0.00 H new ATOM 0 HG3 LYS A 115 12.063 -5.825 8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 115 12.360 -7.262 10.533 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.823 -7.940 9.845 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.442 -6.786 11.910 1.00 0.00 H new ATOM 0 HE3 LYS A 115 15.079 -5.853 10.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 13.870 -4.525 12.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.266 -4.324 10.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 12.432 -5.300 11.825 1.00 0.00 H new ATOM 628 N LEU A 116 11.674 -5.552 5.125 1.00 0.00 N ATOM 629 CA LEU A 116 11.814 -4.933 3.777 1.00 0.00 C ATOM 630 C LEU A 116 12.824 -3.790 3.849 1.00 0.00 C ATOM 631 O LEU A 116 12.603 -2.802 4.520 1.00 0.00 O ATOM 632 CB LEU A 116 10.465 -4.367 3.321 1.00 0.00 C ATOM 633 CG LEU A 116 9.955 -5.153 2.114 1.00 0.00 C ATOM 634 CD1 LEU A 116 9.366 -6.482 2.583 1.00 0.00 C ATOM 635 CD2 LEU A 116 8.876 -4.338 1.396 1.00 0.00 C ATOM 0 H LEU A 116 11.120 -5.015 5.792 1.00 0.00 H new ATOM 0 HA LEU A 116 12.152 -5.691 3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.743 -4.424 4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.571 -3.314 3.062 1.00 0.00 H new ATOM 0 HG LEU A 116 10.781 -5.346 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 116 9.002 -7.043 1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.135 -7.061 3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.540 -6.292 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.511 -4.897 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.050 -4.145 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.298 -3.390 1.061 1.00 0.00 H new ATOM 647 N THR A 117 13.921 -3.899 3.155 1.00 0.00 N ATOM 648 CA THR A 117 14.915 -2.792 3.187 1.00 0.00 C ATOM 649 C THR A 117 14.375 -1.654 2.324 1.00 0.00 C ATOM 650 O THR A 117 13.444 -1.838 1.576 1.00 0.00 O ATOM 651 CB THR A 117 16.259 -3.275 2.640 1.00 0.00 C ATOM 652 OG1 THR A 117 17.175 -2.188 2.611 1.00 0.00 O ATOM 653 CG2 THR A 117 16.062 -3.816 1.232 1.00 0.00 C ATOM 0 H THR A 117 14.171 -4.698 2.572 1.00 0.00 H new ATOM 0 HA THR A 117 15.070 -2.451 4.211 1.00 0.00 H new ATOM 0 HB THR A 117 16.655 -4.063 3.280 1.00 0.00 H new ATOM 0 HG1 THR A 117 18.037 -2.496 2.262 1.00 0.00 H new ATOM 0 HG21 THR A 117 17.018 -4.162 0.838 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.358 -4.648 1.257 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.669 -3.027 0.591 1.00 0.00 H new ATOM 661 N ASP A 118 14.929 -0.482 2.423 1.00 0.00 N ATOM 662 CA ASP A 118 14.409 0.653 1.603 1.00 0.00 C ATOM 663 C ASP A 118 14.444 0.291 0.114 1.00 0.00 C ATOM 664 O ASP A 118 13.458 0.408 -0.585 1.00 0.00 O ATOM 665 CB ASP A 118 15.273 1.886 1.840 1.00 0.00 C ATOM 666 CG ASP A 118 14.763 2.647 3.066 1.00 0.00 C ATOM 667 OD1 ASP A 118 13.557 2.784 3.194 1.00 0.00 O ATOM 668 OD2 ASP A 118 15.586 3.082 3.854 1.00 0.00 O ATOM 0 H ASP A 118 15.716 -0.257 3.032 1.00 0.00 H new ATOM 0 HA ASP A 118 13.379 0.858 1.896 1.00 0.00 H new ATOM 0 HB2 ASP A 118 16.311 1.591 1.990 1.00 0.00 H new ATOM 0 HB3 ASP A 118 15.249 2.533 0.963 1.00 0.00 H new ATOM 673 N GLU A 119 15.575 -0.137 -0.377 1.00 0.00 N ATOM 674 CA GLU A 119 15.678 -0.491 -1.823 1.00 0.00 C ATOM 675 C GLU A 119 14.685 -1.601 -2.161 1.00 0.00 C ATOM 676 O GLU A 119 14.359 -1.828 -3.309 1.00 0.00 O ATOM 677 CB GLU A 119 17.098 -0.972 -2.128 1.00 0.00 C ATOM 678 CG GLU A 119 18.104 0.093 -1.687 1.00 0.00 C ATOM 679 CD GLU A 119 19.445 -0.569 -1.370 1.00 0.00 C ATOM 680 OE1 GLU A 119 19.823 -1.475 -2.095 1.00 0.00 O ATOM 681 OE2 GLU A 119 20.074 -0.157 -0.409 1.00 0.00 O ATOM 0 H GLU A 119 16.433 -0.257 0.161 1.00 0.00 H new ATOM 0 HA GLU A 119 15.449 0.389 -2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.295 -1.910 -1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 119 17.205 -1.169 -3.195 1.00 0.00 H new ATOM 0 HG2 GLU A 119 18.231 0.836 -2.474 1.00 0.00 H new ATOM 0 HG3 GLU A 119 17.730 0.620 -0.809 1.00 0.00 H new ATOM 688 N GLU A 120 14.202 -2.294 -1.171 1.00 0.00 N ATOM 689 CA GLU A 120 13.232 -3.390 -1.433 1.00 0.00 C ATOM 690 C GLU A 120 11.814 -2.815 -1.469 1.00 0.00 C ATOM 691 O GLU A 120 11.000 -3.192 -2.289 1.00 0.00 O ATOM 692 CB GLU A 120 13.344 -4.434 -0.321 1.00 0.00 C ATOM 693 CG GLU A 120 12.180 -5.416 -0.418 1.00 0.00 C ATOM 694 CD GLU A 120 12.341 -6.277 -1.672 1.00 0.00 C ATOM 695 OE1 GLU A 120 13.036 -7.276 -1.595 1.00 0.00 O ATOM 696 OE2 GLU A 120 11.767 -5.921 -2.688 1.00 0.00 O ATOM 0 H GLU A 120 14.438 -2.148 -0.189 1.00 0.00 H new ATOM 0 HA GLU A 120 13.451 -3.859 -2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 120 14.291 -4.968 -0.404 1.00 0.00 H new ATOM 0 HB3 GLU A 120 13.339 -3.944 0.653 1.00 0.00 H new ATOM 0 HG2 GLU A 120 12.150 -6.049 0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 120 11.235 -4.874 -0.455 1.00 0.00 H new ATOM 703 N VAL A 121 11.516 -1.898 -0.590 1.00 0.00 N ATOM 704 CA VAL A 121 10.159 -1.288 -0.570 1.00 0.00 C ATOM 705 C VAL A 121 9.909 -0.581 -1.903 1.00 0.00 C ATOM 706 O VAL A 121 8.870 -0.733 -2.512 1.00 0.00 O ATOM 707 CB VAL A 121 10.078 -0.274 0.579 1.00 0.00 C ATOM 708 CG1 VAL A 121 8.878 0.655 0.373 1.00 0.00 C ATOM 709 CG2 VAL A 121 9.913 -1.021 1.904 1.00 0.00 C ATOM 0 H VAL A 121 12.159 -1.544 0.119 1.00 0.00 H new ATOM 0 HA VAL A 121 9.405 -2.061 -0.422 1.00 0.00 H new ATOM 0 HB VAL A 121 10.993 0.318 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.828 1.372 1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 121 8.990 1.190 -0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.961 0.066 0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.855 -0.303 2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.999 -1.614 1.876 1.00 0.00 H new ATOM 0 HG23 VAL A 121 10.768 -1.680 2.059 1.00 0.00 H new ATOM 719 N ASP A 122 10.857 0.190 -2.359 1.00 0.00 N ATOM 720 CA ASP A 122 10.680 0.908 -3.650 1.00 0.00 C ATOM 721 C ASP A 122 10.142 -0.058 -4.710 1.00 0.00 C ATOM 722 O ASP A 122 9.454 0.339 -5.629 1.00 0.00 O ATOM 723 CB ASP A 122 12.027 1.467 -4.106 1.00 0.00 C ATOM 724 CG ASP A 122 11.817 2.834 -4.760 1.00 0.00 C ATOM 725 OD1 ASP A 122 10.810 2.999 -5.430 1.00 0.00 O ATOM 726 OD2 ASP A 122 12.665 3.692 -4.580 1.00 0.00 O ATOM 0 H ASP A 122 11.749 0.353 -1.891 1.00 0.00 H new ATOM 0 HA ASP A 122 9.971 1.725 -3.516 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.702 1.559 -3.255 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.497 0.782 -4.812 1.00 0.00 H new ATOM 731 N GLU A 123 10.450 -1.321 -4.594 1.00 0.00 N ATOM 732 CA GLU A 123 9.952 -2.300 -5.603 1.00 0.00 C ATOM 733 C GLU A 123 8.467 -2.577 -5.354 1.00 0.00 C ATOM 734 O GLU A 123 7.650 -2.487 -6.249 1.00 0.00 O ATOM 735 CB GLU A 123 10.744 -3.605 -5.487 1.00 0.00 C ATOM 736 CG GLU A 123 11.143 -4.085 -6.884 1.00 0.00 C ATOM 737 CD GLU A 123 12.138 -5.241 -6.763 1.00 0.00 C ATOM 738 OE1 GLU A 123 11.746 -6.283 -6.263 1.00 0.00 O ATOM 739 OE2 GLU A 123 13.274 -5.065 -7.172 1.00 0.00 O ATOM 0 H GLU A 123 11.022 -1.716 -3.848 1.00 0.00 H new ATOM 0 HA GLU A 123 10.082 -1.888 -6.604 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.633 -3.450 -4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 123 10.143 -4.365 -4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 123 10.260 -4.408 -7.435 1.00 0.00 H new ATOM 0 HG3 GLU A 123 11.589 -3.266 -7.448 1.00 0.00 H new ATOM 746 N MET A 124 8.111 -2.911 -4.145 1.00 0.00 N ATOM 747 CA MET A 124 6.683 -3.190 -3.837 1.00 0.00 C ATOM 748 C MET A 124 5.842 -1.948 -4.138 1.00 0.00 C ATOM 749 O MET A 124 4.645 -2.025 -4.335 1.00 0.00 O ATOM 750 CB MET A 124 6.556 -3.561 -2.364 1.00 0.00 C ATOM 751 CG MET A 124 7.143 -4.955 -2.153 1.00 0.00 C ATOM 752 SD MET A 124 8.843 -4.813 -1.548 1.00 0.00 S ATOM 753 CE MET A 124 9.327 -6.532 -1.831 1.00 0.00 C ATOM 0 H MET A 124 8.750 -3.003 -3.355 1.00 0.00 H new ATOM 0 HA MET A 124 6.326 -4.016 -4.452 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.081 -2.833 -1.745 1.00 0.00 H new ATOM 0 HB3 MET A 124 5.510 -3.542 -2.059 1.00 0.00 H new ATOM 0 HG2 MET A 124 6.537 -5.511 -1.438 1.00 0.00 H new ATOM 0 HG3 MET A 124 7.125 -5.514 -3.089 1.00 0.00 H new ATOM 0 HE1 MET A 124 9.969 -6.868 -1.017 1.00 0.00 H new ATOM 0 HE2 MET A 124 8.436 -7.159 -1.873 1.00 0.00 H new ATOM 0 HE3 MET A 124 9.868 -6.607 -2.774 1.00 0.00 H new ATOM 763 N ILE A 125 6.462 -0.803 -4.177 1.00 0.00 N ATOM 764 CA ILE A 125 5.714 0.447 -4.464 1.00 0.00 C ATOM 765 C ILE A 125 5.586 0.634 -5.975 1.00 0.00 C ATOM 766 O ILE A 125 4.551 1.010 -6.482 1.00 0.00 O ATOM 767 CB ILE A 125 6.466 1.637 -3.869 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.351 1.588 -2.337 1.00 0.00 C ATOM 769 CG2 ILE A 125 5.856 2.936 -4.407 1.00 0.00 C ATOM 770 CD1 ILE A 125 6.476 2.998 -1.743 1.00 0.00 C ATOM 0 H ILE A 125 7.463 -0.681 -4.021 1.00 0.00 H new ATOM 0 HA ILE A 125 4.720 0.383 -4.021 1.00 0.00 H new ATOM 0 HB ILE A 125 7.519 1.597 -4.149 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.394 1.151 -2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.130 0.944 -1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 125 6.388 3.789 -3.986 1.00 0.00 H new ATOM 0 HG22 ILE A 125 5.941 2.955 -5.494 1.00 0.00 H new ATOM 0 HG23 ILE A 125 4.805 2.989 -4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.392 2.944 -0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.444 3.422 -2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.681 3.631 -2.137 1.00 0.00 H new ATOM 782 N ARG A 126 6.642 0.390 -6.693 1.00 0.00 N ATOM 783 CA ARG A 126 6.604 0.565 -8.173 1.00 0.00 C ATOM 784 C ARG A 126 5.375 -0.136 -8.768 1.00 0.00 C ATOM 785 O ARG A 126 4.932 0.194 -9.850 1.00 0.00 O ATOM 786 CB ARG A 126 7.872 -0.038 -8.782 1.00 0.00 C ATOM 787 CG ARG A 126 8.874 1.076 -9.089 1.00 0.00 C ATOM 788 CD ARG A 126 10.059 0.494 -9.862 1.00 0.00 C ATOM 789 NE ARG A 126 9.954 0.883 -11.296 1.00 0.00 N ATOM 790 CZ ARG A 126 10.864 1.650 -11.833 1.00 0.00 C ATOM 791 NH1 ARG A 126 10.892 2.924 -11.553 1.00 0.00 N ATOM 792 NH2 ARG A 126 11.746 1.140 -12.648 1.00 0.00 N ATOM 0 H ARG A 126 7.537 0.075 -6.319 1.00 0.00 H new ATOM 0 HA ARG A 126 6.545 1.629 -8.401 1.00 0.00 H new ATOM 0 HB2 ARG A 126 8.313 -0.757 -8.091 1.00 0.00 H new ATOM 0 HB3 ARG A 126 7.626 -0.582 -9.694 1.00 0.00 H new ATOM 0 HG2 ARG A 126 8.394 1.861 -9.674 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.220 1.535 -8.163 1.00 0.00 H new ATOM 0 HD2 ARG A 126 10.996 0.860 -9.442 1.00 0.00 H new ATOM 0 HD3 ARG A 126 10.070 -0.592 -9.768 1.00 0.00 H new ATOM 0 HE ARG A 126 9.171 0.550 -11.859 1.00 0.00 H new ATOM 0 HH11 ARG A 126 10.203 3.321 -10.914 1.00 0.00 H new ATOM 0 HH12 ARG A 126 11.603 3.523 -11.973 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.724 0.144 -12.865 1.00 0.00 H new ATOM 0 HH22 ARG A 126 12.458 1.738 -13.068 1.00 0.00 H new ATOM 806 N GLU A 127 4.827 -1.105 -8.086 1.00 0.00 N ATOM 807 CA GLU A 127 3.640 -1.822 -8.640 1.00 0.00 C ATOM 808 C GLU A 127 2.346 -1.147 -8.178 1.00 0.00 C ATOM 809 O GLU A 127 1.343 -1.177 -8.865 1.00 0.00 O ATOM 810 CB GLU A 127 3.651 -3.273 -8.160 1.00 0.00 C ATOM 811 CG GLU A 127 5.066 -3.838 -8.281 1.00 0.00 C ATOM 812 CD GLU A 127 5.006 -5.244 -8.881 1.00 0.00 C ATOM 813 OE1 GLU A 127 4.216 -6.039 -8.399 1.00 0.00 O ATOM 814 OE2 GLU A 127 5.751 -5.501 -9.812 1.00 0.00 O ATOM 0 H GLU A 127 5.147 -1.431 -7.174 1.00 0.00 H new ATOM 0 HA GLU A 127 3.688 -1.791 -9.729 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.313 -3.328 -7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 127 2.958 -3.869 -8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 127 5.675 -3.189 -8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 127 5.541 -3.870 -7.301 1.00 0.00 H new ATOM 821 N ALA A 128 2.354 -0.552 -7.020 1.00 0.00 N ATOM 822 CA ALA A 128 1.119 0.110 -6.514 1.00 0.00 C ATOM 823 C ALA A 128 0.909 1.441 -7.239 1.00 0.00 C ATOM 824 O ALA A 128 -0.164 1.729 -7.731 1.00 0.00 O ATOM 825 CB ALA A 128 1.265 0.364 -5.013 1.00 0.00 C ATOM 0 H ALA A 128 3.162 -0.495 -6.401 1.00 0.00 H new ATOM 0 HA ALA A 128 0.260 -0.536 -6.697 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.364 0.849 -4.637 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.410 -0.585 -4.496 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.125 1.009 -4.835 1.00 0.00 H new ATOM 831 N ASP A 129 1.923 2.255 -7.303 1.00 0.00 N ATOM 832 CA ASP A 129 1.782 3.572 -7.988 1.00 0.00 C ATOM 833 C ASP A 129 1.904 3.390 -9.502 1.00 0.00 C ATOM 834 O ASP A 129 2.571 2.493 -9.980 1.00 0.00 O ATOM 835 CB ASP A 129 2.878 4.523 -7.502 1.00 0.00 C ATOM 836 CG ASP A 129 4.225 4.102 -8.096 1.00 0.00 C ATOM 837 OD1 ASP A 129 4.388 4.239 -9.296 1.00 0.00 O ATOM 838 OD2 ASP A 129 5.068 3.650 -7.339 1.00 0.00 O ATOM 0 H ASP A 129 2.846 2.067 -6.911 1.00 0.00 H new ATOM 0 HA ASP A 129 0.803 3.991 -7.754 1.00 0.00 H new ATOM 0 HB2 ASP A 129 2.643 5.546 -7.797 1.00 0.00 H new ATOM 0 HB3 ASP A 129 2.929 4.509 -6.413 1.00 0.00 H new ATOM 843 N ILE A 130 1.263 4.237 -10.260 1.00 0.00 N ATOM 844 CA ILE A 130 1.336 4.125 -11.737 1.00 0.00 C ATOM 845 C ILE A 130 1.981 5.386 -12.305 1.00 0.00 C ATOM 846 O ILE A 130 2.698 5.347 -13.285 1.00 0.00 O ATOM 847 CB ILE A 130 -0.077 3.985 -12.290 1.00 0.00 C ATOM 848 CG1 ILE A 130 -0.691 2.686 -11.772 1.00 0.00 C ATOM 849 CG2 ILE A 130 -0.033 3.962 -13.819 1.00 0.00 C ATOM 850 CD1 ILE A 130 -2.215 2.821 -11.744 1.00 0.00 C ATOM 0 H ILE A 130 0.689 5.006 -9.913 1.00 0.00 H new ATOM 0 HA ILE A 130 1.931 3.255 -12.017 1.00 0.00 H new ATOM 0 HB ILE A 130 -0.683 4.831 -11.965 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -0.400 1.853 -12.412 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -0.316 2.466 -10.772 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -1.045 3.862 -14.211 1.00 0.00 H new ATOM 0 HG22 ILE A 130 0.407 4.890 -14.184 1.00 0.00 H new ATOM 0 HG23 ILE A 130 0.570 3.118 -14.153 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -2.656 1.895 -11.375 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -2.495 3.644 -11.086 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -2.581 3.021 -12.751 1.00 0.00 H new ATOM 862 N ASP A 131 1.729 6.505 -11.690 1.00 0.00 N ATOM 863 CA ASP A 131 2.323 7.778 -12.180 1.00 0.00 C ATOM 864 C ASP A 131 3.847 7.687 -12.102 1.00 0.00 C ATOM 865 O ASP A 131 4.552 8.147 -12.978 1.00 0.00 O ATOM 866 CB ASP A 131 1.836 8.935 -11.306 1.00 0.00 C ATOM 867 CG ASP A 131 2.323 10.261 -11.894 1.00 0.00 C ATOM 868 OD1 ASP A 131 2.669 10.275 -13.064 1.00 0.00 O ATOM 869 OD2 ASP A 131 2.341 11.238 -11.165 1.00 0.00 O ATOM 0 H ASP A 131 1.135 6.594 -10.866 1.00 0.00 H new ATOM 0 HA ASP A 131 2.020 7.950 -13.213 1.00 0.00 H new ATOM 0 HB2 ASP A 131 0.747 8.928 -11.249 1.00 0.00 H new ATOM 0 HB3 ASP A 131 2.209 8.818 -10.288 1.00 0.00 H new ATOM 874 N GLY A 132 4.365 7.101 -11.055 1.00 0.00 N ATOM 875 CA GLY A 132 5.844 6.989 -10.926 1.00 0.00 C ATOM 876 C GLY A 132 6.389 8.278 -10.314 1.00 0.00 C ATOM 877 O GLY A 132 7.511 8.672 -10.565 1.00 0.00 O ATOM 0 H GLY A 132 3.829 6.697 -10.287 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.104 6.136 -10.299 1.00 0.00 H new ATOM 0 HA3 GLY A 132 6.295 6.816 -11.903 1.00 0.00 H new ATOM 881 N ASP A 133 5.603 8.935 -9.506 1.00 0.00 N ATOM 882 CA ASP A 133 6.075 10.196 -8.870 1.00 0.00 C ATOM 883 C ASP A 133 6.954 9.844 -7.677 1.00 0.00 C ATOM 884 O ASP A 133 7.819 10.598 -7.276 1.00 0.00 O ATOM 885 CB ASP A 133 4.880 11.019 -8.400 1.00 0.00 C ATOM 886 CG ASP A 133 3.833 10.100 -7.771 1.00 0.00 C ATOM 887 OD1 ASP A 133 4.197 9.323 -6.904 1.00 0.00 O ATOM 888 OD2 ASP A 133 2.682 10.188 -8.167 1.00 0.00 O ATOM 0 H ASP A 133 4.654 8.653 -9.259 1.00 0.00 H new ATOM 0 HA ASP A 133 6.644 10.781 -9.592 1.00 0.00 H new ATOM 0 HB2 ASP A 133 5.204 11.766 -7.675 1.00 0.00 H new ATOM 0 HB3 ASP A 133 4.445 11.559 -9.241 1.00 0.00 H new ATOM 893 N GLY A 134 6.739 8.695 -7.120 1.00 0.00 N ATOM 894 CA GLY A 134 7.562 8.261 -5.952 1.00 0.00 C ATOM 895 C GLY A 134 6.685 8.132 -4.705 1.00 0.00 C ATOM 896 O GLY A 134 7.156 8.260 -3.591 1.00 0.00 O ATOM 0 H GLY A 134 6.027 8.029 -7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 134 8.040 7.306 -6.170 1.00 0.00 H new ATOM 0 HA3 GLY A 134 8.359 8.982 -5.772 1.00 0.00 H new ATOM 900 N GLN A 135 5.417 7.875 -4.874 1.00 0.00 N ATOM 901 CA GLN A 135 4.521 7.736 -3.691 1.00 0.00 C ATOM 902 C GLN A 135 3.254 6.974 -4.095 1.00 0.00 C ATOM 903 O GLN A 135 2.929 6.873 -5.261 1.00 0.00 O ATOM 904 CB GLN A 135 4.148 9.133 -3.162 1.00 0.00 C ATOM 905 CG GLN A 135 2.951 9.699 -3.936 1.00 0.00 C ATOM 906 CD GLN A 135 3.232 11.152 -4.323 1.00 0.00 C ATOM 907 OE1 GLN A 135 4.340 11.630 -4.175 1.00 0.00 O ATOM 908 NE2 GLN A 135 2.267 11.881 -4.812 1.00 0.00 N ATOM 0 H GLN A 135 4.963 7.755 -5.779 1.00 0.00 H new ATOM 0 HA GLN A 135 5.036 7.182 -2.906 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.907 9.074 -2.101 1.00 0.00 H new ATOM 0 HB3 GLN A 135 5.001 9.804 -3.258 1.00 0.00 H new ATOM 0 HG2 GLN A 135 2.768 9.103 -4.830 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.050 9.642 -3.325 1.00 0.00 H new ATOM 0 HE21 GLN A 135 1.337 11.480 -4.936 1.00 0.00 H new ATOM 0 HE22 GLN A 135 2.442 12.852 -5.070 1.00 0.00 H new ATOM 917 N VAL A 136 2.525 6.457 -3.145 1.00 0.00 N ATOM 918 CA VAL A 136 1.276 5.734 -3.488 1.00 0.00 C ATOM 919 C VAL A 136 0.097 6.531 -2.937 1.00 0.00 C ATOM 920 O VAL A 136 0.254 7.352 -2.060 1.00 0.00 O ATOM 921 CB VAL A 136 1.291 4.341 -2.854 1.00 0.00 C ATOM 922 CG1 VAL A 136 -0.078 3.683 -3.038 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.363 3.483 -3.527 1.00 0.00 C ATOM 0 H VAL A 136 2.742 6.505 -2.150 1.00 0.00 H new ATOM 0 HA VAL A 136 1.191 5.627 -4.569 1.00 0.00 H new ATOM 0 HB VAL A 136 1.513 4.429 -1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.068 2.691 -2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -0.843 4.293 -2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.300 3.596 -4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.372 2.491 -3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.143 3.394 -4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.339 3.951 -3.396 1.00 0.00 H new ATOM 933 N ASN A 137 -1.080 6.294 -3.426 1.00 0.00 N ATOM 934 CA ASN A 137 -2.252 7.041 -2.895 1.00 0.00 C ATOM 935 C ASN A 137 -3.391 6.067 -2.685 1.00 0.00 C ATOM 936 O ASN A 137 -3.210 4.870 -2.709 1.00 0.00 O ATOM 937 CB ASN A 137 -2.709 8.122 -3.876 1.00 0.00 C ATOM 938 CG ASN A 137 -1.537 8.563 -4.737 1.00 0.00 C ATOM 939 OD1 ASN A 137 -1.606 8.537 -5.950 1.00 0.00 O ATOM 940 ND2 ASN A 137 -0.454 8.969 -4.153 1.00 0.00 N ATOM 0 H ASN A 137 -1.285 5.621 -4.165 1.00 0.00 H new ATOM 0 HA ASN A 137 -1.965 7.519 -1.959 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -3.511 7.739 -4.506 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.112 8.975 -3.330 1.00 0.00 H new ATOM 0 HD21 ASN A 137 0.345 9.268 -4.712 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -0.401 8.989 -3.135 1.00 0.00 H new ATOM 947 N TYR A 138 -4.565 6.569 -2.486 1.00 0.00 N ATOM 948 CA TYR A 138 -5.718 5.663 -2.282 1.00 0.00 C ATOM 949 C TYR A 138 -6.185 5.124 -3.632 1.00 0.00 C ATOM 950 O TYR A 138 -6.577 3.981 -3.752 1.00 0.00 O ATOM 951 CB TYR A 138 -6.859 6.422 -1.625 1.00 0.00 C ATOM 952 CG TYR A 138 -8.051 5.512 -1.551 1.00 0.00 C ATOM 953 CD1 TYR A 138 -7.977 4.350 -0.783 1.00 0.00 C ATOM 954 CD2 TYR A 138 -9.217 5.816 -2.257 1.00 0.00 C ATOM 955 CE1 TYR A 138 -9.073 3.485 -0.715 1.00 0.00 C ATOM 956 CE2 TYR A 138 -10.318 4.952 -2.194 1.00 0.00 C ATOM 957 CZ TYR A 138 -10.245 3.784 -1.422 1.00 0.00 C ATOM 958 OH TYR A 138 -11.328 2.929 -1.357 1.00 0.00 O ATOM 0 H TYR A 138 -4.779 7.566 -2.455 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.415 4.836 -1.639 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.571 6.751 -0.627 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.100 7.317 -2.199 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.072 4.118 -0.241 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.270 6.716 -2.851 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.016 2.587 -0.118 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.221 5.185 -2.739 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.059 3.285 -1.904 1.00 0.00 H new ATOM 968 N GLU A 139 -6.150 5.937 -4.651 1.00 0.00 N ATOM 969 CA GLU A 139 -6.596 5.465 -5.988 1.00 0.00 C ATOM 970 C GLU A 139 -5.612 4.414 -6.507 1.00 0.00 C ATOM 971 O GLU A 139 -5.998 3.428 -7.103 1.00 0.00 O ATOM 972 CB GLU A 139 -6.652 6.645 -6.961 1.00 0.00 C ATOM 973 CG GLU A 139 -7.659 6.340 -8.074 1.00 0.00 C ATOM 974 CD GLU A 139 -9.044 6.112 -7.464 1.00 0.00 C ATOM 975 OE1 GLU A 139 -9.739 7.089 -7.240 1.00 0.00 O ATOM 976 OE2 GLU A 139 -9.386 4.964 -7.234 1.00 0.00 O ATOM 0 H GLU A 139 -5.832 6.906 -4.614 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.590 5.025 -5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -6.942 7.553 -6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -5.665 6.826 -7.388 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -7.694 7.167 -8.783 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -7.345 5.457 -8.630 1.00 0.00 H new ATOM 983 N GLU A 140 -4.344 4.612 -6.277 1.00 0.00 N ATOM 984 CA GLU A 140 -3.336 3.621 -6.751 1.00 0.00 C ATOM 985 C GLU A 140 -3.345 2.409 -5.817 1.00 0.00 C ATOM 986 O GLU A 140 -3.217 1.280 -6.244 1.00 0.00 O ATOM 987 CB GLU A 140 -1.946 4.263 -6.741 1.00 0.00 C ATOM 988 CG GLU A 140 -2.043 5.691 -7.279 1.00 0.00 C ATOM 989 CD GLU A 140 -0.637 6.277 -7.429 1.00 0.00 C ATOM 990 OE1 GLU A 140 -0.059 6.643 -6.419 1.00 0.00 O ATOM 991 OE2 GLU A 140 -0.164 6.349 -8.552 1.00 0.00 O ATOM 0 H GLU A 140 -3.961 5.417 -5.781 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.581 3.304 -7.765 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -1.544 4.271 -5.728 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.259 3.678 -7.352 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -2.554 5.694 -8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -2.635 6.307 -6.602 1.00 0.00 H new ATOM 998 N PHE A 141 -3.498 2.640 -4.543 1.00 0.00 N ATOM 999 CA PHE A 141 -3.522 1.513 -3.571 1.00 0.00 C ATOM 1000 C PHE A 141 -4.805 0.704 -3.761 1.00 0.00 C ATOM 1001 O PHE A 141 -4.879 -0.454 -3.406 1.00 0.00 O ATOM 1002 CB PHE A 141 -3.490 2.082 -2.155 1.00 0.00 C ATOM 1003 CG PHE A 141 -3.751 0.979 -1.157 1.00 0.00 C ATOM 1004 CD1 PHE A 141 -5.064 0.668 -0.787 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -2.681 0.273 -0.597 1.00 0.00 C ATOM 1006 CE1 PHE A 141 -5.308 -0.348 0.142 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -2.924 -0.745 0.334 1.00 0.00 C ATOM 1008 CZ PHE A 141 -4.238 -1.054 0.703 1.00 0.00 C ATOM 0 H PHE A 141 -3.608 3.567 -4.132 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.659 0.867 -3.733 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.521 2.541 -1.959 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -4.241 2.865 -2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -5.890 1.213 -1.219 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -1.667 0.513 -0.883 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.322 -0.588 0.426 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.098 -1.291 0.766 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.426 -1.838 1.421 1.00 0.00 H new ATOM 1018 N VAL A 142 -5.821 1.310 -4.311 1.00 0.00 N ATOM 1019 CA VAL A 142 -7.105 0.581 -4.520 1.00 0.00 C ATOM 1020 C VAL A 142 -6.972 -0.377 -5.711 1.00 0.00 C ATOM 1021 O VAL A 142 -7.248 -1.554 -5.603 1.00 0.00 O ATOM 1022 CB VAL A 142 -8.224 1.592 -4.793 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -9.432 0.881 -5.410 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -8.644 2.250 -3.477 1.00 0.00 C ATOM 0 H VAL A 142 -5.818 2.280 -4.625 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.344 0.005 -3.626 1.00 0.00 H new ATOM 0 HB VAL A 142 -7.860 2.350 -5.487 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.223 1.606 -5.601 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.137 0.410 -6.348 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -9.797 0.119 -4.721 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.440 2.970 -3.668 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.003 1.487 -2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -7.789 2.763 -3.037 1.00 0.00 H new ATOM 1034 N GLN A 143 -6.567 0.119 -6.848 1.00 0.00 N ATOM 1035 CA GLN A 143 -6.433 -0.765 -8.041 1.00 0.00 C ATOM 1036 C GLN A 143 -5.366 -1.832 -7.786 1.00 0.00 C ATOM 1037 O GLN A 143 -5.349 -2.868 -8.421 1.00 0.00 O ATOM 1038 CB GLN A 143 -6.034 0.075 -9.254 1.00 0.00 C ATOM 1039 CG GLN A 143 -7.161 1.056 -9.587 1.00 0.00 C ATOM 1040 CD GLN A 143 -6.572 2.445 -9.839 1.00 0.00 C ATOM 1041 OE1 GLN A 143 -6.999 3.416 -9.247 1.00 0.00 O ATOM 1042 NE2 GLN A 143 -5.602 2.583 -10.701 1.00 0.00 N ATOM 0 H GLN A 143 -6.323 1.097 -7.003 1.00 0.00 H new ATOM 0 HA GLN A 143 -7.388 -1.255 -8.231 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -5.113 0.619 -9.046 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -5.836 -0.572 -10.109 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -7.705 0.715 -10.468 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -7.877 1.096 -8.766 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -5.242 1.769 -11.199 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -5.203 3.505 -10.877 1.00 0.00 H new ATOM 1051 N MET A 144 -4.471 -1.590 -6.868 1.00 0.00 N ATOM 1052 CA MET A 144 -3.406 -2.594 -6.586 1.00 0.00 C ATOM 1053 C MET A 144 -3.876 -3.562 -5.495 1.00 0.00 C ATOM 1054 O MET A 144 -3.514 -4.722 -5.486 1.00 0.00 O ATOM 1055 CB MET A 144 -2.140 -1.874 -6.116 1.00 0.00 C ATOM 1056 CG MET A 144 -1.025 -2.894 -5.886 1.00 0.00 C ATOM 1057 SD MET A 144 -0.917 -3.283 -4.122 1.00 0.00 S ATOM 1058 CE MET A 144 0.727 -4.038 -4.157 1.00 0.00 C ATOM 0 H MET A 144 -4.431 -0.742 -6.302 1.00 0.00 H new ATOM 0 HA MET A 144 -3.193 -3.156 -7.496 1.00 0.00 H new ATOM 0 HB2 MET A 144 -1.829 -1.141 -6.861 1.00 0.00 H new ATOM 0 HB3 MET A 144 -2.341 -1.327 -5.195 1.00 0.00 H new ATOM 0 HG2 MET A 144 -1.223 -3.801 -6.458 1.00 0.00 H new ATOM 0 HG3 MET A 144 -0.074 -2.495 -6.240 1.00 0.00 H new ATOM 0 HE1 MET A 144 1.002 -4.358 -3.152 1.00 0.00 H new ATOM 0 HE2 MET A 144 0.717 -4.901 -4.823 1.00 0.00 H new ATOM 0 HE3 MET A 144 1.454 -3.310 -4.517 1.00 0.00 H new ATOM 1068 N MET A 145 -4.668 -3.094 -4.570 1.00 0.00 N ATOM 1069 CA MET A 145 -5.147 -3.975 -3.477 1.00 0.00 C ATOM 1070 C MET A 145 -6.499 -4.589 -3.849 1.00 0.00 C ATOM 1071 O MET A 145 -7.038 -5.407 -3.129 1.00 0.00 O ATOM 1072 CB MET A 145 -5.298 -3.151 -2.197 1.00 0.00 C ATOM 1073 CG MET A 145 -5.388 -4.092 -0.994 1.00 0.00 C ATOM 1074 SD MET A 145 -3.894 -3.933 0.015 1.00 0.00 S ATOM 1075 CE MET A 145 -2.699 -3.890 -1.344 1.00 0.00 C ATOM 0 H MET A 145 -5.004 -2.132 -4.527 1.00 0.00 H new ATOM 0 HA MET A 145 -4.425 -4.776 -3.320 1.00 0.00 H new ATOM 0 HB2 MET A 145 -4.449 -2.477 -2.083 1.00 0.00 H new ATOM 0 HB3 MET A 145 -6.192 -2.530 -2.255 1.00 0.00 H new ATOM 0 HG2 MET A 145 -6.269 -3.853 -0.398 1.00 0.00 H new ATOM 0 HG3 MET A 145 -5.502 -5.122 -1.333 1.00 0.00 H new ATOM 0 HE1 MET A 145 -1.699 -4.079 -0.955 1.00 0.00 H new ATOM 0 HE2 MET A 145 -2.954 -4.655 -2.077 1.00 0.00 H new ATOM 0 HE3 MET A 145 -2.724 -2.910 -1.820 1.00 0.00 H new ATOM 1085 N THR A 146 -7.054 -4.206 -4.964 1.00 0.00 N ATOM 1086 CA THR A 146 -8.371 -4.772 -5.371 1.00 0.00 C ATOM 1087 C THR A 146 -8.154 -5.905 -6.373 1.00 0.00 C ATOM 1088 O THR A 146 -8.751 -6.959 -6.273 1.00 0.00 O ATOM 1089 CB THR A 146 -9.219 -3.677 -6.019 1.00 0.00 C ATOM 1090 OG1 THR A 146 -10.518 -4.186 -6.287 1.00 0.00 O ATOM 1091 CG2 THR A 146 -8.566 -3.227 -7.327 1.00 0.00 C ATOM 0 H THR A 146 -6.654 -3.526 -5.611 1.00 0.00 H new ATOM 0 HA THR A 146 -8.885 -5.159 -4.491 1.00 0.00 H new ATOM 0 HB THR A 146 -9.292 -2.826 -5.342 1.00 0.00 H new ATOM 0 HG1 THR A 146 -11.065 -3.486 -6.701 1.00 0.00 H new ATOM 0 HG21 THR A 146 -9.172 -2.447 -7.787 1.00 0.00 H new ATOM 0 HG22 THR A 146 -7.569 -2.838 -7.121 1.00 0.00 H new ATOM 0 HG23 THR A 146 -8.491 -4.076 -8.007 1.00 0.00 H new