USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=12 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 :FLIP no HD1:sc= -0.386 F(o=-7.5,f=-5) USER MOD Set 1.2: A 111 ASN : amide:sc= -4.59! C(o=-5!,f=-6.7!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -1.77! USER MOD Single : A 109 MET CE :methyl -171:sc= -17.4! (180deg=-18.2!) USER MOD Single : A 110 THR OG1 : rot -23:sc= 0.292 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -1.8! USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.128 K(o=-0.13,f=-1.5!) USER MOD Single : A 137 ASN :FLIP amide:sc= -0.347 F(o=-2.7,f=-0.35) USER MOD Single : A 138 TYR OH : rot 104:sc= -1.72! USER MOD Single : A 143 GLN :FLIP amide:sc= -0.0281 F(o=-0.53,f=-0.028) USER MOD Single : A 144 MET CE :methyl -155:sc= -5.13! (180deg=-7.19!) USER MOD Single : A 145 MET CE :methyl 153:sc= -15.3! (180deg=-17.9!) USER MOD Single : A 146 THR OG1 : rot -60:sc= 0.975 USER MOD ----------------------------------------------------------------- ATOM 91 N GLU A 82 -6.074 -2.326 -7.922 1.00 0.00 N ATOM 92 CA GLU A 82 -6.160 -1.624 -6.610 1.00 0.00 C ATOM 93 C GLU A 82 -7.594 -1.703 -6.080 1.00 0.00 C ATOM 94 O GLU A 82 -7.890 -1.239 -4.998 1.00 0.00 O ATOM 95 CB GLU A 82 -5.754 -0.159 -6.780 1.00 0.00 C ATOM 96 CG GLU A 82 -4.470 -0.077 -7.607 1.00 0.00 C ATOM 97 CD GLU A 82 -4.550 1.119 -8.558 1.00 0.00 C ATOM 98 OE1 GLU A 82 -5.450 1.926 -8.390 1.00 0.00 O ATOM 99 OE2 GLU A 82 -3.709 1.209 -9.437 1.00 0.00 O ATOM 0 HA GLU A 82 -5.485 -2.103 -5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.552 0.396 -7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.601 0.302 -5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.607 0.025 -6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.331 -0.997 -8.174 1.00 0.00 H new ATOM 106 N GLU A 83 -8.487 -2.290 -6.828 1.00 0.00 N ATOM 107 CA GLU A 83 -9.894 -2.395 -6.353 1.00 0.00 C ATOM 108 C GLU A 83 -9.898 -2.931 -4.920 1.00 0.00 C ATOM 109 O GLU A 83 -10.752 -2.595 -4.122 1.00 0.00 O ATOM 110 CB GLU A 83 -10.671 -3.351 -7.261 1.00 0.00 C ATOM 111 CG GLU A 83 -11.309 -2.563 -8.406 1.00 0.00 C ATOM 112 CD GLU A 83 -12.709 -3.112 -8.688 1.00 0.00 C ATOM 113 OE1 GLU A 83 -12.815 -4.295 -8.965 1.00 0.00 O ATOM 114 OE2 GLU A 83 -13.652 -2.340 -8.621 1.00 0.00 O ATOM 0 H GLU A 83 -8.304 -2.700 -7.744 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.366 -1.413 -6.379 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.003 -4.115 -7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.441 -3.868 -6.688 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.367 -1.506 -8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.691 -2.637 -9.301 1.00 0.00 H new ATOM 121 N GLU A 84 -8.946 -3.760 -4.586 1.00 0.00 N ATOM 122 CA GLU A 84 -8.887 -4.317 -3.205 1.00 0.00 C ATOM 123 C GLU A 84 -7.844 -3.546 -2.391 1.00 0.00 C ATOM 124 O GLU A 84 -8.068 -3.197 -1.249 1.00 0.00 O ATOM 125 CB GLU A 84 -8.499 -5.795 -3.265 1.00 0.00 C ATOM 126 CG GLU A 84 -9.096 -6.529 -2.063 1.00 0.00 C ATOM 127 CD GLU A 84 -8.020 -6.708 -0.990 1.00 0.00 C ATOM 128 OE1 GLU A 84 -7.047 -7.392 -1.262 1.00 0.00 O ATOM 129 OE2 GLU A 84 -8.189 -6.159 0.087 1.00 0.00 O ATOM 0 H GLU A 84 -8.205 -4.076 -5.212 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.864 -4.220 -2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.861 -6.239 -4.192 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.414 -5.897 -3.265 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.937 -5.965 -1.660 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.482 -7.500 -2.372 1.00 0.00 H new ATOM 136 N ILE A 85 -6.704 -3.278 -2.970 1.00 0.00 N ATOM 137 CA ILE A 85 -5.648 -2.528 -2.232 1.00 0.00 C ATOM 138 C ILE A 85 -6.278 -1.314 -1.544 1.00 0.00 C ATOM 139 O ILE A 85 -6.217 -1.172 -0.340 1.00 0.00 O ATOM 140 CB ILE A 85 -4.577 -2.056 -3.217 1.00 0.00 C ATOM 141 CG1 ILE A 85 -3.746 -3.255 -3.677 1.00 0.00 C ATOM 142 CG2 ILE A 85 -3.665 -1.038 -2.528 1.00 0.00 C ATOM 143 CD1 ILE A 85 -3.557 -3.200 -5.192 1.00 0.00 C ATOM 0 H ILE A 85 -6.459 -3.547 -3.923 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.193 -3.177 -1.484 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.054 -1.591 -4.080 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.776 -3.250 -3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.243 -4.183 -3.396 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.901 -0.701 -3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.257 -0.184 -2.198 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.187 -1.503 -1.666 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.965 -4.056 -5.516 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.531 -3.227 -5.681 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.041 -2.278 -5.461 1.00 0.00 H new ATOM 155 N ARG A 86 -6.879 -0.435 -2.301 1.00 0.00 N ATOM 156 CA ARG A 86 -7.504 0.766 -1.684 1.00 0.00 C ATOM 157 C ARG A 86 -8.317 0.339 -0.457 1.00 0.00 C ATOM 158 O ARG A 86 -8.326 1.012 0.549 1.00 0.00 O ATOM 159 CB ARG A 86 -8.391 1.482 -2.726 1.00 0.00 C ATOM 160 CG ARG A 86 -9.881 1.232 -2.459 1.00 0.00 C ATOM 161 CD ARG A 86 -10.342 2.099 -1.283 1.00 0.00 C ATOM 162 NE ARG A 86 -11.431 3.012 -1.736 1.00 0.00 N ATOM 163 CZ ARG A 86 -12.622 2.538 -1.974 1.00 0.00 C ATOM 164 NH1 ARG A 86 -13.131 1.627 -1.188 1.00 0.00 N ATOM 165 NH2 ARG A 86 -13.306 2.972 -2.998 1.00 0.00 N ATOM 0 H ARG A 86 -6.963 -0.498 -3.316 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.734 1.466 -1.359 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.190 2.553 -2.702 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.135 1.132 -3.726 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.465 1.467 -3.349 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.050 0.178 -2.236 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.697 1.467 -0.469 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.505 2.679 -0.894 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.244 4.007 -1.860 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.597 1.287 -0.389 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.063 1.256 -1.374 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.909 3.682 -3.613 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.238 2.601 -3.183 1.00 0.00 H new ATOM 179 N GLU A 87 -8.997 -0.774 -0.530 1.00 0.00 N ATOM 180 CA GLU A 87 -9.795 -1.232 0.642 1.00 0.00 C ATOM 181 C GLU A 87 -8.858 -1.417 1.836 1.00 0.00 C ATOM 182 O GLU A 87 -9.031 -0.806 2.871 1.00 0.00 O ATOM 183 CB GLU A 87 -10.478 -2.560 0.310 1.00 0.00 C ATOM 184 CG GLU A 87 -11.435 -2.932 1.441 1.00 0.00 C ATOM 185 CD GLU A 87 -12.123 -4.260 1.114 1.00 0.00 C ATOM 186 OE1 GLU A 87 -11.455 -5.280 1.170 1.00 0.00 O ATOM 187 OE2 GLU A 87 -13.304 -4.233 0.813 1.00 0.00 O ATOM 0 H GLU A 87 -9.034 -1.383 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.557 -0.492 0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.023 -2.477 -0.630 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.731 -3.343 0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.889 -3.015 2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.180 -2.148 1.574 1.00 0.00 H new ATOM 194 N ALA A 88 -7.854 -2.240 1.690 1.00 0.00 N ATOM 195 CA ALA A 88 -6.888 -2.443 2.807 1.00 0.00 C ATOM 196 C ALA A 88 -5.845 -1.328 2.729 1.00 0.00 C ATOM 197 O ALA A 88 -4.706 -1.553 2.385 1.00 0.00 O ATOM 198 CB ALA A 88 -6.203 -3.804 2.655 1.00 0.00 C ATOM 0 H ALA A 88 -7.662 -2.780 0.846 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.402 -2.418 3.768 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.497 -3.950 3.473 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.954 -4.594 2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.669 -3.839 1.705 1.00 0.00 H new ATOM 204 N PHE A 89 -6.251 -0.127 3.035 1.00 0.00 N ATOM 205 CA PHE A 89 -5.334 1.049 2.973 1.00 0.00 C ATOM 206 C PHE A 89 -6.188 2.319 3.053 1.00 0.00 C ATOM 207 O PHE A 89 -5.706 3.383 3.387 1.00 0.00 O ATOM 208 CB PHE A 89 -4.560 1.049 1.644 1.00 0.00 C ATOM 209 CG PHE A 89 -3.105 1.393 1.889 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.419 0.837 2.977 1.00 0.00 C ATOM 211 CD2 PHE A 89 -2.442 2.272 1.023 1.00 0.00 C ATOM 212 CE1 PHE A 89 -1.075 1.164 3.197 1.00 0.00 C ATOM 213 CE2 PHE A 89 -1.099 2.597 1.245 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.417 2.044 2.333 1.00 0.00 C ATOM 0 H PHE A 89 -7.201 0.095 3.332 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.620 1.005 3.796 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.636 0.070 1.170 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.002 1.771 0.957 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.926 0.157 3.645 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.968 2.700 0.182 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.546 0.736 4.036 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.590 3.275 0.576 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.619 2.297 2.506 1.00 0.00 H new ATOM 224 N ARG A 90 -7.461 2.210 2.754 1.00 0.00 N ATOM 225 CA ARG A 90 -8.353 3.386 2.817 1.00 0.00 C ATOM 226 C ARG A 90 -8.564 3.748 4.276 1.00 0.00 C ATOM 227 O ARG A 90 -8.904 4.862 4.618 1.00 0.00 O ATOM 228 CB ARG A 90 -9.699 3.041 2.174 1.00 0.00 C ATOM 229 CG ARG A 90 -10.459 2.060 3.070 1.00 0.00 C ATOM 230 CD ARG A 90 -11.769 1.653 2.390 1.00 0.00 C ATOM 231 NE ARG A 90 -12.256 2.767 1.527 1.00 0.00 N ATOM 232 CZ ARG A 90 -13.244 3.520 1.929 1.00 0.00 C ATOM 233 NH1 ARG A 90 -14.470 3.076 1.866 1.00 0.00 N ATOM 234 NH2 ARG A 90 -13.005 4.716 2.394 1.00 0.00 N ATOM 0 H ARG A 90 -7.914 1.342 2.467 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.909 4.226 2.282 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.287 3.947 2.029 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.541 2.602 1.189 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.848 1.178 3.262 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.667 2.520 4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.615 0.756 1.790 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.519 1.408 3.142 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.817 2.941 0.623 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.656 2.141 1.503 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.242 3.664 2.180 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.047 5.062 2.443 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.777 5.305 2.708 1.00 0.00 H new ATOM 248 N VAL A 91 -8.360 2.799 5.138 1.00 0.00 N ATOM 249 CA VAL A 91 -8.540 3.055 6.584 1.00 0.00 C ATOM 250 C VAL A 91 -7.818 4.347 6.958 1.00 0.00 C ATOM 251 O VAL A 91 -8.151 5.004 7.924 1.00 0.00 O ATOM 252 CB VAL A 91 -7.950 1.889 7.371 1.00 0.00 C ATOM 253 CG1 VAL A 91 -8.011 2.195 8.867 1.00 0.00 C ATOM 254 CG2 VAL A 91 -8.756 0.624 7.066 1.00 0.00 C ATOM 0 H VAL A 91 -8.074 1.850 4.899 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.600 3.153 6.818 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.910 1.738 7.083 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.589 1.360 9.427 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.439 3.099 9.077 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.049 2.344 9.166 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.341 -0.215 7.624 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.795 0.776 7.357 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.706 0.409 5.998 1.00 0.00 H new ATOM 264 N PHE A 92 -6.824 4.711 6.198 1.00 0.00 N ATOM 265 CA PHE A 92 -6.067 5.951 6.496 1.00 0.00 C ATOM 266 C PHE A 92 -6.400 7.019 5.451 1.00 0.00 C ATOM 267 O PHE A 92 -6.894 8.082 5.772 1.00 0.00 O ATOM 268 CB PHE A 92 -4.576 5.632 6.457 1.00 0.00 C ATOM 269 CG PHE A 92 -4.268 4.602 7.516 1.00 0.00 C ATOM 270 CD1 PHE A 92 -3.931 5.011 8.808 1.00 0.00 C ATOM 271 CD2 PHE A 92 -4.321 3.238 7.203 1.00 0.00 C ATOM 272 CE1 PHE A 92 -3.645 4.058 9.794 1.00 0.00 C ATOM 273 CE2 PHE A 92 -4.035 2.283 8.187 1.00 0.00 C ATOM 274 CZ PHE A 92 -3.697 2.693 9.482 1.00 0.00 C ATOM 0 H PHE A 92 -6.503 4.197 5.378 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.338 6.328 7.482 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.297 5.256 5.473 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.993 6.536 6.630 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.891 6.063 9.047 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.582 2.923 6.204 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.385 4.375 10.793 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.075 1.231 7.947 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.476 1.957 10.241 1.00 0.00 H new ATOM 284 N ASP A 93 -6.143 6.744 4.201 1.00 0.00 N ATOM 285 CA ASP A 93 -6.451 7.740 3.139 1.00 0.00 C ATOM 286 C ASP A 93 -7.803 7.402 2.507 1.00 0.00 C ATOM 287 O ASP A 93 -7.927 7.307 1.302 1.00 0.00 O ATOM 288 CB ASP A 93 -5.361 7.697 2.066 1.00 0.00 C ATOM 289 CG ASP A 93 -4.017 8.083 2.688 1.00 0.00 C ATOM 290 OD1 ASP A 93 -4.025 8.854 3.634 1.00 0.00 O ATOM 291 OD2 ASP A 93 -3.005 7.602 2.207 1.00 0.00 O ATOM 0 H ASP A 93 -5.732 5.871 3.870 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.490 8.738 3.575 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.300 6.698 1.634 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.608 8.381 1.254 1.00 0.00 H new ATOM 337 N ASN A 97 -5.775 11.181 0.119 1.00 0.00 N ATOM 338 CA ASN A 97 -4.841 11.260 -1.042 1.00 0.00 C ATOM 339 C ASN A 97 -4.471 9.858 -1.531 1.00 0.00 C ATOM 340 O ASN A 97 -4.420 9.598 -2.717 1.00 0.00 O ATOM 341 CB ASN A 97 -3.565 11.991 -0.615 1.00 0.00 C ATOM 342 CG ASN A 97 -3.862 13.479 -0.422 1.00 0.00 C ATOM 343 OD1 ASN A 97 -4.392 13.877 0.597 1.00 0.00 O ATOM 344 ND2 ASN A 97 -3.538 14.324 -1.362 1.00 0.00 N ATOM 0 HA ASN A 97 -5.334 11.799 -1.851 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.183 11.564 0.312 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.790 11.860 -1.370 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.729 15.319 -1.242 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.093 13.990 -2.217 1.00 0.00 H new ATOM 351 N GLY A 98 -4.189 8.959 -0.631 1.00 0.00 N ATOM 352 CA GLY A 98 -3.798 7.588 -1.042 1.00 0.00 C ATOM 353 C GLY A 98 -2.427 7.282 -0.445 1.00 0.00 C ATOM 354 O GLY A 98 -2.193 6.211 0.078 1.00 0.00 O ATOM 0 H GLY A 98 -4.213 9.118 0.376 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.534 6.863 -0.695 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.764 7.512 -2.129 1.00 0.00 H new ATOM 358 N TYR A 99 -1.520 8.229 -0.504 1.00 0.00 N ATOM 359 CA TYR A 99 -0.163 8.005 0.066 1.00 0.00 C ATOM 360 C TYR A 99 -0.241 8.148 1.582 1.00 0.00 C ATOM 361 O TYR A 99 -0.646 9.169 2.102 1.00 0.00 O ATOM 362 CB TYR A 99 0.817 9.035 -0.526 1.00 0.00 C ATOM 363 CG TYR A 99 0.855 10.287 0.323 1.00 0.00 C ATOM 364 CD1 TYR A 99 1.589 10.296 1.515 1.00 0.00 C ATOM 365 CD2 TYR A 99 0.159 11.433 -0.080 1.00 0.00 C ATOM 366 CE1 TYR A 99 1.628 11.451 2.304 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.198 12.588 0.709 1.00 0.00 C ATOM 368 CZ TYR A 99 0.933 12.597 1.902 1.00 0.00 C ATOM 369 OH TYR A 99 0.971 13.737 2.681 1.00 0.00 O ATOM 0 H TYR A 99 -1.666 9.147 -0.924 1.00 0.00 H new ATOM 0 HA TYR A 99 0.194 7.006 -0.182 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.815 8.601 -0.588 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.516 9.288 -1.543 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.125 9.411 1.826 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -0.408 11.426 -0.999 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.195 11.458 3.223 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.338 13.472 0.398 1.00 0.00 H new ATOM 0 HH TYR A 99 0.436 14.441 2.257 1.00 0.00 H new ATOM 379 N ILE A 100 0.125 7.126 2.295 1.00 0.00 N ATOM 380 CA ILE A 100 0.051 7.203 3.774 1.00 0.00 C ATOM 381 C ILE A 100 1.464 7.218 4.367 1.00 0.00 C ATOM 382 O ILE A 100 2.047 8.267 4.560 1.00 0.00 O ATOM 383 CB ILE A 100 -0.746 6.013 4.323 1.00 0.00 C ATOM 384 CG1 ILE A 100 -1.024 4.977 3.218 1.00 0.00 C ATOM 385 CG2 ILE A 100 -2.077 6.525 4.872 1.00 0.00 C ATOM 386 CD1 ILE A 100 -1.954 3.899 3.766 1.00 0.00 C ATOM 0 H ILE A 100 0.471 6.243 1.919 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.458 8.124 4.058 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.163 5.532 5.108 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.478 5.462 2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.090 4.530 2.878 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.654 5.688 5.266 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.889 7.244 5.670 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.638 7.009 4.073 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.155 3.162 2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.481 3.409 4.617 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.891 4.355 4.085 1.00 0.00 H new ATOM 398 N SER A 101 2.023 6.077 4.665 1.00 0.00 N ATOM 399 CA SER A 101 3.394 6.063 5.250 1.00 0.00 C ATOM 400 C SER A 101 3.833 4.624 5.522 1.00 0.00 C ATOM 401 O SER A 101 3.043 3.703 5.478 1.00 0.00 O ATOM 402 CB SER A 101 3.384 6.845 6.562 1.00 0.00 C ATOM 403 OG SER A 101 4.191 8.006 6.425 1.00 0.00 O ATOM 0 H SER A 101 1.594 5.161 4.530 1.00 0.00 H new ATOM 0 HA SER A 101 4.091 6.521 4.548 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.364 7.126 6.823 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.760 6.221 7.373 1.00 0.00 H new ATOM 0 HG SER A 101 4.184 8.510 7.265 1.00 0.00 H new ATOM 409 N ALA A 102 5.092 4.427 5.812 1.00 0.00 N ATOM 410 CA ALA A 102 5.584 3.051 6.096 1.00 0.00 C ATOM 411 C ALA A 102 4.876 2.511 7.338 1.00 0.00 C ATOM 412 O ALA A 102 4.725 1.319 7.509 1.00 0.00 O ATOM 413 CB ALA A 102 7.094 3.087 6.342 1.00 0.00 C ATOM 0 H ALA A 102 5.799 5.160 5.864 1.00 0.00 H new ATOM 0 HA ALA A 102 5.374 2.404 5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.453 2.079 6.550 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.598 3.476 5.457 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.308 3.731 7.195 1.00 0.00 H new ATOM 419 N ALA A 103 4.431 3.382 8.203 1.00 0.00 N ATOM 420 CA ALA A 103 3.722 2.919 9.427 1.00 0.00 C ATOM 421 C ALA A 103 2.313 2.474 9.037 1.00 0.00 C ATOM 422 O ALA A 103 1.817 1.464 9.497 1.00 0.00 O ATOM 423 CB ALA A 103 3.635 4.064 10.437 1.00 0.00 C ATOM 0 H ALA A 103 4.528 4.393 8.114 1.00 0.00 H new ATOM 0 HA ALA A 103 4.265 2.088 9.878 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.115 3.721 11.332 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.640 4.391 10.704 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.088 4.897 9.996 1.00 0.00 H new ATOM 429 N GLU A 104 1.669 3.219 8.183 1.00 0.00 N ATOM 430 CA GLU A 104 0.297 2.843 7.748 1.00 0.00 C ATOM 431 C GLU A 104 0.347 1.458 7.111 1.00 0.00 C ATOM 432 O GLU A 104 -0.446 0.590 7.417 1.00 0.00 O ATOM 433 CB GLU A 104 -0.204 3.863 6.726 1.00 0.00 C ATOM 434 CG GLU A 104 -0.818 5.058 7.463 1.00 0.00 C ATOM 435 CD GLU A 104 0.096 5.478 8.617 1.00 0.00 C ATOM 436 OE1 GLU A 104 0.989 6.275 8.380 1.00 0.00 O ATOM 437 OE2 GLU A 104 -0.112 4.996 9.718 1.00 0.00 O ATOM 0 H GLU A 104 2.036 4.075 7.767 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.379 2.830 8.603 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.619 4.195 6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.945 3.405 6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.955 5.891 6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.804 4.794 7.845 1.00 0.00 H new ATOM 444 N LEU A 105 1.287 1.245 6.238 1.00 0.00 N ATOM 445 CA LEU A 105 1.416 -0.084 5.588 1.00 0.00 C ATOM 446 C LEU A 105 1.797 -1.111 6.655 1.00 0.00 C ATOM 447 O LEU A 105 1.346 -2.235 6.644 1.00 0.00 O ATOM 448 CB LEU A 105 2.509 -0.010 4.531 1.00 0.00 C ATOM 449 CG LEU A 105 1.973 -0.559 3.215 1.00 0.00 C ATOM 450 CD1 LEU A 105 2.204 0.459 2.096 1.00 0.00 C ATOM 451 CD2 LEU A 105 2.710 -1.858 2.884 1.00 0.00 C ATOM 0 H LEU A 105 1.975 1.938 5.945 1.00 0.00 H new ATOM 0 HA LEU A 105 0.477 -0.374 5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.837 1.021 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.379 -0.583 4.850 1.00 0.00 H new ATOM 0 HG LEU A 105 0.904 -0.751 3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.819 0.061 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.686 1.388 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.272 0.654 1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.334 -2.260 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.777 -1.657 2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.544 -2.583 3.681 1.00 0.00 H new ATOM 463 N ARG A 106 2.618 -0.724 7.589 1.00 0.00 N ATOM 464 CA ARG A 106 3.015 -1.669 8.666 1.00 0.00 C ATOM 465 C ARG A 106 1.756 -2.170 9.380 1.00 0.00 C ATOM 466 O ARG A 106 1.783 -3.157 10.088 1.00 0.00 O ATOM 467 CB ARG A 106 3.929 -0.942 9.660 1.00 0.00 C ATOM 468 CG ARG A 106 3.976 -1.700 10.990 1.00 0.00 C ATOM 469 CD ARG A 106 2.817 -1.249 11.882 1.00 0.00 C ATOM 470 NE ARG A 106 3.331 -0.974 13.254 1.00 0.00 N ATOM 471 CZ ARG A 106 3.498 -1.955 14.098 1.00 0.00 C ATOM 472 NH1 ARG A 106 2.494 -2.729 14.410 1.00 0.00 N ATOM 473 NH2 ARG A 106 4.671 -2.163 14.633 1.00 0.00 N ATOM 0 H ARG A 106 3.031 0.206 7.653 1.00 0.00 H new ATOM 0 HA ARG A 106 3.550 -2.519 8.243 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.934 -0.857 9.246 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.565 0.072 9.824 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.913 -2.773 10.810 1.00 0.00 H new ATOM 0 HG3 ARG A 106 4.926 -1.516 11.491 1.00 0.00 H new ATOM 0 HD2 ARG A 106 2.352 -0.354 11.469 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.048 -2.021 11.917 1.00 0.00 H new ATOM 0 HE ARG A 106 3.552 -0.018 13.533 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.577 -2.567 13.994 1.00 0.00 H new ATOM 0 HH12 ARG A 106 2.627 -3.495 15.070 1.00 0.00 H new ATOM 0 HH21 ARG A 106 5.456 -1.559 14.391 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.802 -2.930 15.293 1.00 0.00 H new ATOM 487 N HIS A 107 0.653 -1.492 9.204 1.00 0.00 N ATOM 488 CA HIS A 107 -0.602 -1.926 9.879 1.00 0.00 C ATOM 489 C HIS A 107 -1.629 -2.391 8.839 1.00 0.00 C ATOM 490 O HIS A 107 -2.598 -3.041 9.172 1.00 0.00 O ATOM 491 CB HIS A 107 -1.179 -0.754 10.673 1.00 0.00 C ATOM 492 CG HIS A 107 -2.262 -1.255 11.590 1.00 0.00 C ATOM 493 ND1 HIS A 107 -3.572 -1.595 11.363 1.00 0.00 N flip ATOM 494 CD2 HIS A 107 -2.046 -1.461 12.943 1.00 0.00 C flip ATOM 495 CE1 HIS A 107 -4.162 -2.006 12.555 1.00 0.00 C flip ATOM 496 NE2 HIS A 107 -3.200 -1.906 13.474 1.00 0.00 N flip ATOM 0 H HIS A 107 0.568 -0.658 8.623 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.377 -2.755 10.551 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -0.392 -0.270 11.252 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.582 -0.003 9.993 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -1.121 -1.295 13.475 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -5.180 -2.335 12.704 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -3.324 -2.139 14.459 1.00 0.00 H new ATOM 504 N VAL A 108 -1.438 -2.066 7.586 1.00 0.00 N ATOM 505 CA VAL A 108 -2.430 -2.503 6.560 1.00 0.00 C ATOM 506 C VAL A 108 -1.929 -3.755 5.837 1.00 0.00 C ATOM 507 O VAL A 108 -2.657 -4.712 5.685 1.00 0.00 O ATOM 508 CB VAL A 108 -2.674 -1.389 5.546 1.00 0.00 C ATOM 509 CG1 VAL A 108 -4.039 -1.613 4.893 1.00 0.00 C ATOM 510 CG2 VAL A 108 -2.668 -0.033 6.257 1.00 0.00 C ATOM 0 H VAL A 108 -0.649 -1.524 7.233 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.367 -2.733 7.066 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.889 -1.399 4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.228 -0.824 4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.048 -2.580 4.390 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.816 -1.595 5.658 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.843 0.760 5.530 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.455 -0.014 7.011 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.702 0.122 6.738 1.00 0.00 H new ATOM 520 N MET A 109 -0.710 -3.765 5.369 1.00 0.00 N ATOM 521 CA MET A 109 -0.214 -4.978 4.661 1.00 0.00 C ATOM 522 C MET A 109 -0.179 -6.169 5.624 1.00 0.00 C ATOM 523 O MET A 109 -0.155 -7.307 5.210 1.00 0.00 O ATOM 524 CB MET A 109 1.192 -4.741 4.129 1.00 0.00 C ATOM 525 CG MET A 109 1.213 -5.067 2.637 1.00 0.00 C ATOM 526 SD MET A 109 2.657 -6.083 2.249 1.00 0.00 S ATOM 527 CE MET A 109 3.907 -4.989 2.968 1.00 0.00 C ATOM 0 H MET A 109 -0.044 -2.996 5.445 1.00 0.00 H new ATOM 0 HA MET A 109 -0.889 -5.190 3.832 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.489 -3.705 4.294 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.908 -5.366 4.662 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.301 -5.595 2.358 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.239 -4.146 2.055 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.901 -5.347 2.700 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.770 -3.978 2.584 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.804 -4.982 4.053 1.00 0.00 H new ATOM 537 N THR A 110 -0.164 -5.920 6.905 1.00 0.00 N ATOM 538 CA THR A 110 -0.126 -7.051 7.879 1.00 0.00 C ATOM 539 C THR A 110 -1.553 -7.531 8.155 1.00 0.00 C ATOM 540 O THR A 110 -1.771 -8.527 8.815 1.00 0.00 O ATOM 541 CB THR A 110 0.513 -6.577 9.184 1.00 0.00 C ATOM 542 OG1 THR A 110 0.603 -7.669 10.090 1.00 0.00 O ATOM 543 CG2 THR A 110 -0.347 -5.473 9.795 1.00 0.00 C ATOM 0 H THR A 110 -0.176 -4.988 7.319 1.00 0.00 H new ATOM 0 HA THR A 110 0.461 -7.871 7.464 1.00 0.00 H new ATOM 0 HB THR A 110 1.512 -6.190 8.984 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.063 -8.347 9.852 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.106 -5.132 10.726 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.416 -4.638 9.098 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.346 -5.860 9.997 1.00 0.00 H new ATOM 551 N ASN A 111 -2.524 -6.824 7.650 1.00 0.00 N ATOM 552 CA ASN A 111 -3.943 -7.217 7.869 1.00 0.00 C ATOM 553 C ASN A 111 -4.512 -7.835 6.588 1.00 0.00 C ATOM 554 O ASN A 111 -4.999 -8.948 6.598 1.00 0.00 O ATOM 555 CB ASN A 111 -4.765 -5.982 8.241 1.00 0.00 C ATOM 556 CG ASN A 111 -4.229 -5.379 9.540 1.00 0.00 C ATOM 557 OD1 ASN A 111 -3.457 -6.003 10.241 1.00 0.00 O ATOM 558 ND2 ASN A 111 -4.611 -4.182 9.894 1.00 0.00 N ATOM 0 H ASN A 111 -2.394 -5.982 7.089 1.00 0.00 H new ATOM 0 HA ASN A 111 -3.991 -7.947 8.677 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -4.716 -5.245 7.439 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -5.814 -6.254 8.360 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.261 -3.770 10.759 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -5.259 -3.659 9.305 1.00 0.00 H new ATOM 565 N LEU A 112 -4.474 -7.124 5.487 1.00 0.00 N ATOM 566 CA LEU A 112 -5.040 -7.700 4.231 1.00 0.00 C ATOM 567 C LEU A 112 -4.503 -9.122 4.020 1.00 0.00 C ATOM 568 O LEU A 112 -3.703 -9.614 4.790 1.00 0.00 O ATOM 569 CB LEU A 112 -4.733 -6.811 3.002 1.00 0.00 C ATOM 570 CG LEU A 112 -3.300 -6.229 2.993 1.00 0.00 C ATOM 571 CD1 LEU A 112 -2.345 -7.034 3.885 1.00 0.00 C ATOM 572 CD2 LEU A 112 -2.782 -6.273 1.555 1.00 0.00 C ATOM 0 H LEU A 112 -4.082 -6.186 5.405 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.124 -7.739 4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -4.882 -7.397 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.449 -5.989 2.972 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.338 -5.211 3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -1.351 -6.589 3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.710 -7.022 4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.296 -8.063 3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.771 -5.867 1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.772 -7.305 1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.434 -5.678 0.915 1.00 0.00 H new ATOM 584 N GLY A 113 -4.949 -9.789 2.994 1.00 0.00 N ATOM 585 CA GLY A 113 -4.482 -11.184 2.742 1.00 0.00 C ATOM 586 C GLY A 113 -2.952 -11.267 2.800 1.00 0.00 C ATOM 587 O GLY A 113 -2.393 -12.314 3.058 1.00 0.00 O ATOM 0 H GLY A 113 -5.620 -9.429 2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.915 -11.856 3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.832 -11.518 1.765 1.00 0.00 H new ATOM 591 N GLU A 114 -2.267 -10.187 2.549 1.00 0.00 N ATOM 592 CA GLU A 114 -0.775 -10.231 2.576 1.00 0.00 C ATOM 593 C GLU A 114 -0.270 -10.725 3.936 1.00 0.00 C ATOM 594 O GLU A 114 0.348 -11.767 4.033 1.00 0.00 O ATOM 595 CB GLU A 114 -0.217 -8.833 2.311 1.00 0.00 C ATOM 596 CG GLU A 114 0.554 -8.838 0.991 1.00 0.00 C ATOM 597 CD GLU A 114 1.663 -9.890 1.052 1.00 0.00 C ATOM 598 OE1 GLU A 114 1.924 -10.385 2.135 1.00 0.00 O ATOM 599 OE2 GLU A 114 2.230 -10.184 0.012 1.00 0.00 O ATOM 0 H GLU A 114 -2.672 -9.278 2.327 1.00 0.00 H new ATOM 0 HA GLU A 114 -0.437 -10.921 1.803 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.029 -8.107 2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.439 -8.530 3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -0.122 -9.054 0.164 1.00 0.00 H new ATOM 0 HG3 GLU A 114 0.982 -7.853 0.804 1.00 0.00 H new ATOM 606 N LYS A 115 -0.512 -9.984 4.985 1.00 0.00 N ATOM 607 CA LYS A 115 -0.022 -10.416 6.327 1.00 0.00 C ATOM 608 C LYS A 115 1.507 -10.503 6.293 1.00 0.00 C ATOM 609 O LYS A 115 2.074 -11.216 5.489 1.00 0.00 O ATOM 610 CB LYS A 115 -0.606 -11.791 6.662 1.00 0.00 C ATOM 611 CG LYS A 115 -0.308 -12.138 8.122 1.00 0.00 C ATOM 612 CD LYS A 115 -1.315 -13.183 8.609 1.00 0.00 C ATOM 613 CE LYS A 115 -1.748 -12.853 10.039 1.00 0.00 C ATOM 614 NZ LYS A 115 -3.037 -12.105 10.007 1.00 0.00 N ATOM 0 H LYS A 115 -1.025 -9.103 4.971 1.00 0.00 H new ATOM 0 HA LYS A 115 -0.333 -9.698 7.085 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -1.683 -11.791 6.491 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -0.179 -12.548 6.004 1.00 0.00 H new ATOM 0 HG2 LYS A 115 0.707 -12.523 8.216 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -0.368 -11.242 8.740 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -2.183 -13.200 7.950 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -0.869 -14.177 8.574 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -1.862 -13.770 10.617 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.981 -12.257 10.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.332 -11.880 10.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -2.913 -11.223 9.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -3.766 -12.689 9.550 1.00 0.00 H new ATOM 628 N LEU A 116 2.188 -9.787 7.152 1.00 0.00 N ATOM 629 CA LEU A 116 3.666 -9.841 7.150 1.00 0.00 C ATOM 630 C LEU A 116 4.199 -8.891 8.225 1.00 0.00 C ATOM 631 O LEU A 116 3.800 -7.750 8.324 1.00 0.00 O ATOM 632 CB LEU A 116 4.202 -9.454 5.762 1.00 0.00 C ATOM 633 CG LEU A 116 4.377 -7.939 5.646 1.00 0.00 C ATOM 634 CD1 LEU A 116 5.080 -7.617 4.328 1.00 0.00 C ATOM 635 CD2 LEU A 116 3.006 -7.261 5.672 1.00 0.00 C ATOM 0 H LEU A 116 1.776 -9.170 7.852 1.00 0.00 H new ATOM 0 HA LEU A 116 4.003 -10.854 7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 116 5.157 -9.949 5.586 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.515 -9.805 4.992 1.00 0.00 H new ATOM 0 HG LEU A 116 4.975 -7.574 6.481 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.208 -6.538 4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.056 -8.101 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.478 -7.981 3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 116 3.132 -6.182 5.589 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.406 -7.621 4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.501 -7.496 6.609 1.00 0.00 H new ATOM 647 N THR A 117 5.080 -9.392 9.031 1.00 0.00 N ATOM 648 CA THR A 117 5.687 -8.598 10.146 1.00 0.00 C ATOM 649 C THR A 117 5.792 -7.112 9.782 1.00 0.00 C ATOM 650 O THR A 117 5.845 -6.738 8.627 1.00 0.00 O ATOM 651 CB THR A 117 7.084 -9.150 10.446 1.00 0.00 C ATOM 652 OG1 THR A 117 7.915 -8.974 9.308 1.00 0.00 O ATOM 653 CG2 THR A 117 6.982 -10.640 10.776 1.00 0.00 C ATOM 0 H THR A 117 5.422 -10.351 8.968 1.00 0.00 H new ATOM 0 HA THR A 117 5.046 -8.685 11.023 1.00 0.00 H new ATOM 0 HB THR A 117 7.512 -8.618 11.295 1.00 0.00 H new ATOM 0 HG1 THR A 117 8.810 -9.325 9.499 1.00 0.00 H new ATOM 0 HG21 THR A 117 7.976 -11.034 10.990 1.00 0.00 H new ATOM 0 HG22 THR A 117 6.342 -10.777 11.648 1.00 0.00 H new ATOM 0 HG23 THR A 117 6.556 -11.173 9.926 1.00 0.00 H new ATOM 661 N ASP A 118 5.814 -6.262 10.777 1.00 0.00 N ATOM 662 CA ASP A 118 5.896 -4.793 10.525 1.00 0.00 C ATOM 663 C ASP A 118 7.304 -4.393 10.077 1.00 0.00 C ATOM 664 O ASP A 118 7.483 -3.422 9.372 1.00 0.00 O ATOM 665 CB ASP A 118 5.562 -4.044 11.813 1.00 0.00 C ATOM 666 CG ASP A 118 6.288 -4.692 12.993 1.00 0.00 C ATOM 667 OD1 ASP A 118 7.505 -4.625 13.019 1.00 0.00 O ATOM 668 OD2 ASP A 118 5.616 -5.236 13.852 1.00 0.00 O ATOM 0 H ASP A 118 5.778 -6.526 11.762 1.00 0.00 H new ATOM 0 HA ASP A 118 5.188 -4.538 9.736 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.856 -2.998 11.723 1.00 0.00 H new ATOM 0 HB3 ASP A 118 4.486 -4.059 11.984 1.00 0.00 H new ATOM 673 N GLU A 119 8.307 -5.106 10.495 1.00 0.00 N ATOM 674 CA GLU A 119 9.694 -4.730 10.094 1.00 0.00 C ATOM 675 C GLU A 119 9.946 -5.129 8.639 1.00 0.00 C ATOM 676 O GLU A 119 10.656 -4.454 7.920 1.00 0.00 O ATOM 677 CB GLU A 119 10.706 -5.435 11.004 1.00 0.00 C ATOM 678 CG GLU A 119 10.407 -5.094 12.466 1.00 0.00 C ATOM 679 CD GLU A 119 11.685 -5.212 13.298 1.00 0.00 C ATOM 680 OE1 GLU A 119 12.719 -5.515 12.726 1.00 0.00 O ATOM 681 OE2 GLU A 119 11.610 -4.996 14.498 1.00 0.00 O ATOM 0 H GLU A 119 8.232 -5.929 11.093 1.00 0.00 H new ATOM 0 HA GLU A 119 9.810 -3.651 10.192 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.656 -6.513 10.854 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.719 -5.125 10.747 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.007 -4.083 12.539 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.644 -5.767 12.857 1.00 0.00 H new ATOM 688 N GLU A 120 9.378 -6.215 8.194 1.00 0.00 N ATOM 689 CA GLU A 120 9.603 -6.635 6.783 1.00 0.00 C ATOM 690 C GLU A 120 8.744 -5.773 5.848 1.00 0.00 C ATOM 691 O GLU A 120 9.081 -5.565 4.700 1.00 0.00 O ATOM 692 CB GLU A 120 9.257 -8.122 6.630 1.00 0.00 C ATOM 693 CG GLU A 120 7.747 -8.316 6.480 1.00 0.00 C ATOM 694 CD GLU A 120 7.459 -8.894 5.095 1.00 0.00 C ATOM 695 OE1 GLU A 120 7.568 -8.153 4.131 1.00 0.00 O ATOM 696 OE2 GLU A 120 7.141 -10.069 5.019 1.00 0.00 O ATOM 0 H GLU A 120 8.772 -6.826 8.742 1.00 0.00 H new ATOM 0 HA GLU A 120 10.650 -6.495 6.516 1.00 0.00 H new ATOM 0 HB2 GLU A 120 9.769 -8.531 5.759 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.615 -8.674 7.499 1.00 0.00 H new ATOM 0 HG2 GLU A 120 7.374 -8.987 7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 120 7.230 -7.365 6.607 1.00 0.00 H new ATOM 703 N VAL A 121 7.643 -5.261 6.333 1.00 0.00 N ATOM 704 CA VAL A 121 6.775 -4.401 5.468 1.00 0.00 C ATOM 705 C VAL A 121 7.354 -2.983 5.415 1.00 0.00 C ATOM 706 O VAL A 121 7.490 -2.397 4.360 1.00 0.00 O ATOM 707 CB VAL A 121 5.346 -4.338 6.030 1.00 0.00 C ATOM 708 CG1 VAL A 121 5.372 -3.883 7.492 1.00 0.00 C ATOM 709 CG2 VAL A 121 4.529 -3.339 5.214 1.00 0.00 C ATOM 0 H VAL A 121 7.307 -5.399 7.286 1.00 0.00 H new ATOM 0 HA VAL A 121 6.744 -4.832 4.467 1.00 0.00 H new ATOM 0 HB VAL A 121 4.898 -5.330 5.971 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.354 -3.842 7.879 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.956 -4.589 8.082 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.825 -2.894 7.557 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.514 -3.291 5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 121 4.991 -2.354 5.278 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.498 -3.659 4.172 1.00 0.00 H new ATOM 719 N ASP A 122 7.689 -2.426 6.548 1.00 0.00 N ATOM 720 CA ASP A 122 8.250 -1.042 6.569 1.00 0.00 C ATOM 721 C ASP A 122 9.502 -0.968 5.691 1.00 0.00 C ATOM 722 O ASP A 122 9.624 -0.103 4.847 1.00 0.00 O ATOM 723 CB ASP A 122 8.619 -0.666 8.005 1.00 0.00 C ATOM 724 CG ASP A 122 8.453 0.842 8.201 1.00 0.00 C ATOM 725 OD1 ASP A 122 9.350 1.572 7.812 1.00 0.00 O ATOM 726 OD2 ASP A 122 7.433 1.241 8.737 1.00 0.00 O ATOM 0 H ASP A 122 7.599 -2.870 7.462 1.00 0.00 H new ATOM 0 HA ASP A 122 7.502 -0.349 6.184 1.00 0.00 H new ATOM 0 HB2 ASP A 122 7.984 -1.206 8.707 1.00 0.00 H new ATOM 0 HB3 ASP A 122 9.648 -0.959 8.215 1.00 0.00 H new ATOM 731 N GLU A 123 10.436 -1.857 5.883 1.00 0.00 N ATOM 732 CA GLU A 123 11.671 -1.817 5.052 1.00 0.00 C ATOM 733 C GLU A 123 11.305 -2.065 3.589 1.00 0.00 C ATOM 734 O GLU A 123 12.023 -1.689 2.685 1.00 0.00 O ATOM 735 CB GLU A 123 12.643 -2.898 5.529 1.00 0.00 C ATOM 736 CG GLU A 123 14.001 -2.264 5.835 1.00 0.00 C ATOM 737 CD GLU A 123 15.025 -3.362 6.127 1.00 0.00 C ATOM 738 OE1 GLU A 123 14.613 -4.495 6.313 1.00 0.00 O ATOM 739 OE2 GLU A 123 16.205 -3.051 6.160 1.00 0.00 O ATOM 0 H GLU A 123 10.398 -2.605 6.575 1.00 0.00 H new ATOM 0 HA GLU A 123 12.144 -0.840 5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.250 -3.388 6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 123 12.753 -3.667 4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 123 14.331 -1.661 4.989 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.917 -1.594 6.691 1.00 0.00 H new ATOM 746 N MET A 124 10.187 -2.697 3.349 1.00 0.00 N ATOM 747 CA MET A 124 9.771 -2.971 1.947 1.00 0.00 C ATOM 748 C MET A 124 9.070 -1.738 1.371 1.00 0.00 C ATOM 749 O MET A 124 8.933 -1.598 0.172 1.00 0.00 O ATOM 750 CB MET A 124 8.809 -4.160 1.927 1.00 0.00 C ATOM 751 CG MET A 124 8.958 -4.917 0.607 1.00 0.00 C ATOM 752 SD MET A 124 9.481 -6.617 0.941 1.00 0.00 S ATOM 753 CE MET A 124 11.210 -6.421 0.441 1.00 0.00 C ATOM 0 H MET A 124 9.545 -3.035 4.066 1.00 0.00 H new ATOM 0 HA MET A 124 10.650 -3.202 1.345 1.00 0.00 H new ATOM 0 HB2 MET A 124 9.019 -4.825 2.765 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.783 -3.813 2.045 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.012 -4.916 0.066 1.00 0.00 H new ATOM 0 HG3 MET A 124 9.689 -4.419 -0.030 1.00 0.00 H new ATOM 0 HE1 MET A 124 11.735 -7.368 0.567 1.00 0.00 H new ATOM 0 HE2 MET A 124 11.254 -6.118 -0.605 1.00 0.00 H new ATOM 0 HE3 MET A 124 11.684 -5.659 1.060 1.00 0.00 H new ATOM 763 N ILE A 125 8.622 -0.845 2.211 1.00 0.00 N ATOM 764 CA ILE A 125 7.931 0.372 1.699 1.00 0.00 C ATOM 765 C ILE A 125 8.926 1.228 0.916 1.00 0.00 C ATOM 766 O ILE A 125 8.554 2.164 0.236 1.00 0.00 O ATOM 767 CB ILE A 125 7.319 1.153 2.879 1.00 0.00 C ATOM 768 CG1 ILE A 125 5.815 1.275 2.653 1.00 0.00 C ATOM 769 CG2 ILE A 125 7.923 2.559 3.007 1.00 0.00 C ATOM 770 CD1 ILE A 125 5.095 0.270 3.546 1.00 0.00 C ATOM 0 H ILE A 125 8.704 -0.905 3.226 1.00 0.00 H new ATOM 0 HA ILE A 125 7.121 0.090 1.026 1.00 0.00 H new ATOM 0 HB ILE A 125 7.536 0.611 3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.481 2.287 2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.575 1.088 1.606 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.465 3.076 3.850 1.00 0.00 H new ATOM 0 HG22 ILE A 125 8.998 2.480 3.170 1.00 0.00 H new ATOM 0 HG23 ILE A 125 7.735 3.120 2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.019 0.351 3.391 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.423 -0.739 3.296 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.327 0.479 4.590 1.00 0.00 H new ATOM 782 N ARG A 126 10.184 0.896 0.979 1.00 0.00 N ATOM 783 CA ARG A 126 11.191 1.673 0.206 1.00 0.00 C ATOM 784 C ARG A 126 11.173 1.180 -1.246 1.00 0.00 C ATOM 785 O ARG A 126 12.081 1.426 -2.013 1.00 0.00 O ATOM 786 CB ARG A 126 12.580 1.452 0.812 1.00 0.00 C ATOM 787 CG ARG A 126 12.475 1.439 2.339 1.00 0.00 C ATOM 788 CD ARG A 126 13.877 1.419 2.949 1.00 0.00 C ATOM 789 NE ARG A 126 14.735 0.461 2.194 1.00 0.00 N ATOM 790 CZ ARG A 126 16.028 0.635 2.152 1.00 0.00 C ATOM 791 NH1 ARG A 126 16.675 0.970 3.234 1.00 0.00 N ATOM 792 NH2 ARG A 126 16.671 0.475 1.029 1.00 0.00 N ATOM 0 H ARG A 126 10.558 0.123 1.530 1.00 0.00 H new ATOM 0 HA ARG A 126 10.956 2.737 0.240 1.00 0.00 H new ATOM 0 HB2 ARG A 126 12.997 0.509 0.458 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.259 2.242 0.490 1.00 0.00 H new ATOM 0 HG2 ARG A 126 11.930 2.318 2.684 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.912 0.565 2.668 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.313 2.417 2.917 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.824 1.128 3.998 1.00 0.00 H new ATOM 0 HE ARG A 126 14.311 -0.331 1.710 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.171 1.096 4.112 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.685 1.106 3.202 1.00 0.00 H new ATOM 0 HH21 ARG A 126 16.164 0.214 0.184 1.00 0.00 H new ATOM 0 HH22 ARG A 126 17.681 0.611 0.996 1.00 0.00 H new ATOM 806 N GLU A 127 10.140 0.466 -1.617 1.00 0.00 N ATOM 807 CA GLU A 127 10.035 -0.070 -2.994 1.00 0.00 C ATOM 808 C GLU A 127 8.741 0.433 -3.642 1.00 0.00 C ATOM 809 O GLU A 127 8.647 0.557 -4.848 1.00 0.00 O ATOM 810 CB GLU A 127 9.985 -1.593 -2.908 1.00 0.00 C ATOM 811 CG GLU A 127 11.406 -2.146 -2.769 1.00 0.00 C ATOM 812 CD GLU A 127 11.829 -2.801 -4.086 1.00 0.00 C ATOM 813 OE1 GLU A 127 11.535 -2.237 -5.128 1.00 0.00 O ATOM 814 OE2 GLU A 127 12.441 -3.855 -4.030 1.00 0.00 O ATOM 0 H GLU A 127 9.356 0.232 -1.008 1.00 0.00 H new ATOM 0 HA GLU A 127 10.888 0.255 -3.589 1.00 0.00 H new ATOM 0 HB2 GLU A 127 9.380 -1.900 -2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 127 9.510 -2.002 -3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 127 12.097 -1.343 -2.511 1.00 0.00 H new ATOM 0 HG3 GLU A 127 11.447 -2.874 -1.959 1.00 0.00 H new ATOM 821 N ALA A 128 7.735 0.707 -2.853 1.00 0.00 N ATOM 822 CA ALA A 128 6.445 1.180 -3.429 1.00 0.00 C ATOM 823 C ALA A 128 6.645 2.526 -4.138 1.00 0.00 C ATOM 824 O ALA A 128 7.168 2.582 -5.232 1.00 0.00 O ATOM 825 CB ALA A 128 5.409 1.319 -2.308 1.00 0.00 C ATOM 0 H ALA A 128 7.752 0.623 -1.837 1.00 0.00 H new ATOM 0 HA ALA A 128 6.088 0.455 -4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.464 1.665 -2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.261 0.352 -1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.765 2.039 -1.571 1.00 0.00 H new ATOM 831 N ASP A 129 6.225 3.611 -3.538 1.00 0.00 N ATOM 832 CA ASP A 129 6.388 4.937 -4.200 1.00 0.00 C ATOM 833 C ASP A 129 7.726 5.561 -3.801 1.00 0.00 C ATOM 834 O ASP A 129 8.173 6.518 -4.399 1.00 0.00 O ATOM 835 CB ASP A 129 5.247 5.861 -3.773 1.00 0.00 C ATOM 836 CG ASP A 129 5.268 7.129 -4.628 1.00 0.00 C ATOM 837 OD1 ASP A 129 5.277 7.002 -5.841 1.00 0.00 O ATOM 838 OD2 ASP A 129 5.275 8.206 -4.055 1.00 0.00 O ATOM 0 H ASP A 129 5.778 3.634 -2.621 1.00 0.00 H new ATOM 0 HA ASP A 129 6.367 4.802 -5.281 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.291 5.350 -3.885 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.349 6.119 -2.719 1.00 0.00 H new ATOM 893 N GLY A 134 4.260 11.467 -2.036 1.00 0.00 N ATOM 894 CA GLY A 134 3.502 10.792 -0.946 1.00 0.00 C ATOM 895 C GLY A 134 4.238 9.511 -0.549 1.00 0.00 C ATOM 896 O GLY A 134 4.724 8.783 -1.391 1.00 0.00 O ATOM 0 HA2 GLY A 134 3.409 11.455 -0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 134 2.491 10.558 -1.279 1.00 0.00 H new ATOM 900 N GLN A 135 4.329 9.232 0.724 1.00 0.00 N ATOM 901 CA GLN A 135 5.038 7.996 1.167 1.00 0.00 C ATOM 902 C GLN A 135 4.647 6.834 0.253 1.00 0.00 C ATOM 903 O GLN A 135 5.353 6.501 -0.676 1.00 0.00 O ATOM 904 CB GLN A 135 4.644 7.668 2.608 1.00 0.00 C ATOM 905 CG GLN A 135 5.482 8.512 3.572 1.00 0.00 C ATOM 906 CD GLN A 135 6.884 7.911 3.688 1.00 0.00 C ATOM 907 OE1 GLN A 135 7.046 6.708 3.663 1.00 0.00 O ATOM 908 NE2 GLN A 135 7.911 8.705 3.817 1.00 0.00 N ATOM 0 H GLN A 135 3.944 9.805 1.475 1.00 0.00 H new ATOM 0 HA GLN A 135 6.115 8.155 1.115 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.583 7.868 2.761 1.00 0.00 H new ATOM 0 HB3 GLN A 135 4.800 6.608 2.806 1.00 0.00 H new ATOM 0 HG2 GLN A 135 5.544 9.540 3.214 1.00 0.00 H new ATOM 0 HG3 GLN A 135 5.006 8.544 4.552 1.00 0.00 H new ATOM 0 HE21 GLN A 135 7.775 9.716 3.838 1.00 0.00 H new ATOM 0 HE22 GLN A 135 8.850 8.315 3.897 1.00 0.00 H new ATOM 917 N VAL A 136 3.523 6.220 0.503 1.00 0.00 N ATOM 918 CA VAL A 136 3.091 5.088 -0.363 1.00 0.00 C ATOM 919 C VAL A 136 1.596 5.222 -0.650 1.00 0.00 C ATOM 920 O VAL A 136 0.768 5.033 0.218 1.00 0.00 O ATOM 921 CB VAL A 136 3.365 3.757 0.345 1.00 0.00 C ATOM 922 CG1 VAL A 136 2.977 3.867 1.823 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.545 2.643 -0.315 1.00 0.00 C ATOM 0 H VAL A 136 2.888 6.452 1.266 1.00 0.00 H new ATOM 0 HA VAL A 136 3.648 5.111 -1.299 1.00 0.00 H new ATOM 0 HB VAL A 136 4.427 3.523 0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 136 3.174 2.918 2.322 1.00 0.00 H new ATOM 0 HG12 VAL A 136 3.564 4.654 2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 136 1.917 4.107 1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.742 1.698 0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 136 1.484 2.880 -0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 136 2.825 2.558 -1.365 1.00 0.00 H new ATOM 933 N ASN A 137 1.244 5.539 -1.864 1.00 0.00 N ATOM 934 CA ASN A 137 -0.197 5.677 -2.196 1.00 0.00 C ATOM 935 C ASN A 137 -0.747 4.319 -2.613 1.00 0.00 C ATOM 936 O ASN A 137 -0.158 3.303 -2.338 1.00 0.00 O ATOM 937 CB ASN A 137 -0.376 6.698 -3.319 1.00 0.00 C ATOM 938 CG ASN A 137 0.746 6.539 -4.350 1.00 0.00 C ATOM 939 OD1 ASN A 137 0.623 5.652 -5.299 1.00 0.00 O flip ATOM 940 ND2 ASN A 137 1.744 7.228 -4.289 1.00 0.00 N flip ATOM 0 H ASN A 137 1.889 5.707 -2.636 1.00 0.00 H new ATOM 0 HA ASN A 137 -0.745 6.029 -1.322 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.345 6.559 -3.798 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -0.365 7.708 -2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 137 1.840 7.921 -3.547 1.00 0.00 H new ATOM 0 HD22 ASN A 137 2.486 7.113 -4.980 1.00 0.00 H new ATOM 947 N TYR A 138 -1.881 4.287 -3.249 1.00 0.00 N ATOM 948 CA TYR A 138 -2.461 2.978 -3.653 1.00 0.00 C ATOM 949 C TYR A 138 -1.768 2.476 -4.908 1.00 0.00 C ATOM 950 O TYR A 138 -1.467 1.308 -5.046 1.00 0.00 O ATOM 951 CB TYR A 138 -3.941 3.163 -3.965 1.00 0.00 C ATOM 952 CG TYR A 138 -4.690 3.587 -2.726 1.00 0.00 C ATOM 953 CD1 TYR A 138 -4.011 3.843 -1.526 1.00 0.00 C ATOM 954 CD2 TYR A 138 -6.075 3.727 -2.786 1.00 0.00 C ATOM 955 CE1 TYR A 138 -4.721 4.237 -0.392 1.00 0.00 C ATOM 956 CE2 TYR A 138 -6.789 4.123 -1.652 1.00 0.00 C ATOM 957 CZ TYR A 138 -6.111 4.378 -0.453 1.00 0.00 C ATOM 958 OH TYR A 138 -6.812 4.775 0.664 1.00 0.00 O ATOM 0 H TYR A 138 -2.431 5.107 -3.506 1.00 0.00 H new ATOM 0 HA TYR A 138 -2.327 2.262 -2.842 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -4.064 3.913 -4.746 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -4.358 2.232 -4.349 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -2.937 3.735 -1.480 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -6.597 3.529 -3.710 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -4.198 4.433 0.532 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -7.862 4.232 -1.700 1.00 0.00 H new ATOM 0 HH TYR A 138 -7.072 5.715 0.570 1.00 0.00 H new ATOM 968 N GLU A 139 -1.539 3.352 -5.834 1.00 0.00 N ATOM 969 CA GLU A 139 -0.895 2.935 -7.102 1.00 0.00 C ATOM 970 C GLU A 139 0.475 2.314 -6.813 1.00 0.00 C ATOM 971 O GLU A 139 0.925 1.430 -7.514 1.00 0.00 O ATOM 972 CB GLU A 139 -0.720 4.146 -8.024 1.00 0.00 C ATOM 973 CG GLU A 139 -1.896 5.109 -7.846 1.00 0.00 C ATOM 974 CD GLU A 139 -2.381 5.585 -9.216 1.00 0.00 C ATOM 975 OE1 GLU A 139 -1.561 6.067 -9.978 1.00 0.00 O ATOM 976 OE2 GLU A 139 -3.566 5.459 -9.479 1.00 0.00 O ATOM 0 H GLU A 139 -1.770 4.343 -5.769 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.531 2.197 -7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 139 0.216 4.655 -7.796 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -0.660 3.818 -9.062 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -2.708 4.613 -7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -1.592 5.962 -7.240 1.00 0.00 H new ATOM 983 N GLU A 140 1.143 2.770 -5.789 1.00 0.00 N ATOM 984 CA GLU A 140 2.482 2.205 -5.459 1.00 0.00 C ATOM 985 C GLU A 140 2.326 1.161 -4.355 1.00 0.00 C ATOM 986 O GLU A 140 3.097 0.228 -4.246 1.00 0.00 O ATOM 987 CB GLU A 140 3.406 3.325 -4.976 1.00 0.00 C ATOM 988 CG GLU A 140 3.813 4.200 -6.162 1.00 0.00 C ATOM 989 CD GLU A 140 5.019 3.575 -6.867 1.00 0.00 C ATOM 990 OE1 GLU A 140 5.065 2.358 -6.954 1.00 0.00 O ATOM 991 OE2 GLU A 140 5.875 4.323 -7.309 1.00 0.00 O ATOM 0 H GLU A 140 0.819 3.510 -5.166 1.00 0.00 H new ATOM 0 HA GLU A 140 2.913 1.741 -6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 140 2.900 3.928 -4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 140 4.292 2.901 -4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 140 2.981 4.296 -6.859 1.00 0.00 H new ATOM 0 HG3 GLU A 140 4.059 5.205 -5.819 1.00 0.00 H new ATOM 998 N PHE A 141 1.324 1.317 -3.539 1.00 0.00 N ATOM 999 CA PHE A 141 1.092 0.344 -2.435 1.00 0.00 C ATOM 1000 C PHE A 141 0.705 -1.008 -3.033 1.00 0.00 C ATOM 1001 O PHE A 141 0.923 -2.047 -2.442 1.00 0.00 O ATOM 1002 CB PHE A 141 -0.039 0.859 -1.536 1.00 0.00 C ATOM 1003 CG PHE A 141 -0.345 -0.161 -0.471 1.00 0.00 C ATOM 1004 CD1 PHE A 141 0.664 -1.005 -0.012 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -1.636 -0.265 0.062 1.00 0.00 C ATOM 1006 CE1 PHE A 141 0.392 -1.944 0.973 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -1.906 -1.212 1.055 1.00 0.00 C ATOM 1008 CZ PHE A 141 -0.892 -2.050 1.510 1.00 0.00 C ATOM 0 H PHE A 141 0.650 2.081 -3.589 1.00 0.00 H new ATOM 0 HA PHE A 141 1.999 0.231 -1.841 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.251 1.804 -1.076 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -0.930 1.055 -2.132 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.660 -0.928 -0.423 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -2.422 0.385 -0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.178 -2.596 1.326 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.900 -1.293 1.468 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.098 -2.781 2.278 1.00 0.00 H new ATOM 1018 N VAL A 142 0.139 -1.001 -4.208 1.00 0.00 N ATOM 1019 CA VAL A 142 -0.258 -2.280 -4.858 1.00 0.00 C ATOM 1020 C VAL A 142 0.988 -3.149 -5.052 1.00 0.00 C ATOM 1021 O VAL A 142 0.898 -4.339 -5.279 1.00 0.00 O ATOM 1022 CB VAL A 142 -0.897 -1.982 -6.217 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -0.065 -0.933 -6.956 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -0.957 -3.265 -7.052 1.00 0.00 C ATOM 0 H VAL A 142 -0.066 -0.160 -4.748 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.977 -2.808 -4.231 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.907 -1.603 -6.063 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.521 -0.722 -7.923 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.026 -0.018 -6.366 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.946 -1.311 -7.107 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.412 -3.049 -8.019 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.052 -3.648 -7.204 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.554 -4.012 -6.529 1.00 0.00 H new ATOM 1034 N GLN A 143 2.151 -2.561 -4.963 1.00 0.00 N ATOM 1035 CA GLN A 143 3.401 -3.352 -5.142 1.00 0.00 C ATOM 1036 C GLN A 143 3.640 -4.209 -3.898 1.00 0.00 C ATOM 1037 O GLN A 143 4.049 -5.349 -3.987 1.00 0.00 O ATOM 1038 CB GLN A 143 4.582 -2.402 -5.342 1.00 0.00 C ATOM 1039 CG GLN A 143 5.674 -3.108 -6.148 1.00 0.00 C ATOM 1040 CD GLN A 143 6.734 -2.091 -6.570 1.00 0.00 C ATOM 1041 OE1 GLN A 143 6.359 -0.950 -7.080 1.00 0.00 O flip ATOM 1042 NE2 GLN A 143 7.917 -2.337 -6.437 1.00 0.00 N flip ATOM 0 H GLN A 143 2.289 -1.568 -4.774 1.00 0.00 H new ATOM 0 HA GLN A 143 3.303 -3.996 -6.016 1.00 0.00 H new ATOM 0 HB2 GLN A 143 4.255 -1.502 -5.863 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.975 -2.085 -4.376 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.130 -3.897 -5.550 1.00 0.00 H new ATOM 0 HG3 GLN A 143 5.241 -3.584 -7.028 1.00 0.00 H new ATOM 0 HE21 GLN A 143 8.211 -3.229 -6.038 1.00 0.00 H new ATOM 0 HE22 GLN A 143 8.616 -1.652 -6.724 1.00 0.00 H new ATOM 1051 N MET A 144 3.383 -3.670 -2.738 1.00 0.00 N ATOM 1052 CA MET A 144 3.591 -4.457 -1.491 1.00 0.00 C ATOM 1053 C MET A 144 2.550 -5.571 -1.432 1.00 0.00 C ATOM 1054 O MET A 144 2.776 -6.623 -0.869 1.00 0.00 O ATOM 1055 CB MET A 144 3.427 -3.553 -0.267 1.00 0.00 C ATOM 1056 CG MET A 144 4.127 -2.215 -0.510 1.00 0.00 C ATOM 1057 SD MET A 144 5.665 -2.156 0.443 1.00 0.00 S ATOM 1058 CE MET A 144 6.787 -2.551 -0.920 1.00 0.00 C ATOM 0 H MET A 144 3.038 -2.720 -2.600 1.00 0.00 H new ATOM 0 HA MET A 144 4.596 -4.878 -1.492 1.00 0.00 H new ATOM 0 HB2 MET A 144 2.369 -3.388 -0.065 1.00 0.00 H new ATOM 0 HB3 MET A 144 3.848 -4.039 0.614 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.340 -2.091 -1.572 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.474 -1.393 -0.218 1.00 0.00 H new ATOM 0 HE1 MET A 144 7.699 -2.998 -0.523 1.00 0.00 H new ATOM 0 HE2 MET A 144 6.303 -3.255 -1.597 1.00 0.00 H new ATOM 0 HE3 MET A 144 7.036 -1.639 -1.462 1.00 0.00 H new ATOM 1068 N MET A 145 1.404 -5.343 -2.010 1.00 0.00 N ATOM 1069 CA MET A 145 0.341 -6.381 -1.989 1.00 0.00 C ATOM 1070 C MET A 145 0.762 -7.558 -2.872 1.00 0.00 C ATOM 1071 O MET A 145 0.680 -8.705 -2.477 1.00 0.00 O ATOM 1072 CB MET A 145 -0.963 -5.786 -2.522 1.00 0.00 C ATOM 1073 CG MET A 145 -1.391 -4.611 -1.645 1.00 0.00 C ATOM 1074 SD MET A 145 -3.139 -4.797 -1.215 1.00 0.00 S ATOM 1075 CE MET A 145 -3.262 -3.359 -0.126 1.00 0.00 C ATOM 0 H MET A 145 1.159 -4.481 -2.496 1.00 0.00 H new ATOM 0 HA MET A 145 0.191 -6.728 -0.967 1.00 0.00 H new ATOM 0 HB2 MET A 145 -0.828 -5.453 -3.551 1.00 0.00 H new ATOM 0 HB3 MET A 145 -1.743 -6.547 -2.533 1.00 0.00 H new ATOM 0 HG2 MET A 145 -0.783 -4.576 -0.741 1.00 0.00 H new ATOM 0 HG3 MET A 145 -1.232 -3.671 -2.173 1.00 0.00 H new ATOM 0 HE1 MET A 145 -4.288 -2.992 -0.123 1.00 0.00 H new ATOM 0 HE2 MET A 145 -2.975 -3.644 0.886 1.00 0.00 H new ATOM 0 HE3 MET A 145 -2.597 -2.573 -0.484 1.00 0.00 H new ATOM 1085 N THR A 146 1.208 -7.282 -4.067 1.00 0.00 N ATOM 1086 CA THR A 146 1.630 -8.382 -4.979 1.00 0.00 C ATOM 1087 C THR A 146 3.150 -8.345 -5.153 1.00 0.00 C ATOM 1088 O THR A 146 3.680 -8.771 -6.161 1.00 0.00 O ATOM 1089 CB THR A 146 0.955 -8.200 -6.340 1.00 0.00 C ATOM 1090 OG1 THR A 146 1.593 -9.033 -7.299 1.00 0.00 O ATOM 1091 CG2 THR A 146 1.067 -6.738 -6.776 1.00 0.00 C ATOM 0 H THR A 146 1.298 -6.341 -4.451 1.00 0.00 H new ATOM 0 HA THR A 146 1.337 -9.342 -4.553 1.00 0.00 H new ATOM 0 HB THR A 146 -0.097 -8.474 -6.263 1.00 0.00 H new ATOM 0 HG1 THR A 146 2.538 -8.784 -7.372 1.00 0.00 H new ATOM 0 HG21 THR A 146 0.586 -6.610 -7.746 1.00 0.00 H new ATOM 0 HG22 THR A 146 0.577 -6.100 -6.040 1.00 0.00 H new ATOM 0 HG23 THR A 146 2.118 -6.461 -6.853 1.00 0.00 H new