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 Set 1.1: A 94 LYS NZ :NH3+ 147:sc= -2.85 (180deg=-0.00385) USER MOD Set 1.2: A 107 HIS :FLIP no HD1:sc= -2.73 F(o=-7.1!,f=-5.6) USER MOD Single : A 97 ASN : amide:sc= -0.865 K(o=-0.86,f=-3.2!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.263 USER MOD Single : A 109 MET CE :methyl 177:sc= -14.3! (180deg=-14.7!) USER MOD Single : A 110 THR OG1 : rot 83:sc= -0.258! USER MOD Single : A 111 ASN : amide:sc= -2.89 K(o=-2.9,f=-4.9!) USER MOD Single : A 115 LYS NZ :NH3+ 141:sc= -0.316 (180deg=-1.52!) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.0748 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -6.69! C(o=-6.7!,f=-6.7!) USER MOD Single : A 137 ASN : amide:sc= -8.82! C(o=-8.8!,f=-11!) USER MOD Single : A 138 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl 151:sc= -5.04! (180deg=-6.37!) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 THR OG1 : rot 48:sc= 0.539 USER MOD ----------------------------------------------------------------- ATOM 106 N GLU A 83 -15.574 -0.798 0.889 1.00 0.00 N ATOM 107 CA GLU A 83 -14.896 -0.494 2.176 1.00 0.00 C ATOM 108 C GLU A 83 -13.730 -1.465 2.392 1.00 0.00 C ATOM 109 O GLU A 83 -12.738 -1.126 3.007 1.00 0.00 O ATOM 110 CB GLU A 83 -15.896 -0.629 3.326 1.00 0.00 C ATOM 111 CG GLU A 83 -16.354 0.763 3.769 1.00 0.00 C ATOM 112 CD GLU A 83 -16.415 0.821 5.296 1.00 0.00 C ATOM 113 OE1 GLU A 83 -16.046 -0.159 5.923 1.00 0.00 O ATOM 114 OE2 GLU A 83 -16.830 1.845 5.814 1.00 0.00 O ATOM 0 HA GLU A 83 -14.512 0.526 2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -16.754 -1.222 3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.436 -1.156 4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -15.666 1.520 3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -17.334 0.986 3.347 1.00 0.00 H new ATOM 121 N GLU A 84 -13.839 -2.669 1.900 1.00 0.00 N ATOM 122 CA GLU A 84 -12.733 -3.652 2.091 1.00 0.00 C ATOM 123 C GLU A 84 -11.389 -3.000 1.750 1.00 0.00 C ATOM 124 O GLU A 84 -10.393 -3.233 2.406 1.00 0.00 O ATOM 125 CB GLU A 84 -12.958 -4.858 1.177 1.00 0.00 C ATOM 126 CG GLU A 84 -12.913 -6.146 2.002 1.00 0.00 C ATOM 127 CD GLU A 84 -11.481 -6.686 2.029 1.00 0.00 C ATOM 128 OE1 GLU A 84 -10.594 -5.940 2.410 1.00 0.00 O ATOM 129 OE2 GLU A 84 -11.295 -7.835 1.666 1.00 0.00 O ATOM 0 H GLU A 84 -14.643 -3.014 1.376 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.721 -3.977 3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.921 -4.770 0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.194 -4.885 0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.259 -5.952 3.017 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.585 -6.889 1.573 1.00 0.00 H new ATOM 136 N ILE A 85 -11.349 -2.195 0.724 1.00 0.00 N ATOM 137 CA ILE A 85 -10.070 -1.541 0.335 1.00 0.00 C ATOM 138 C ILE A 85 -9.941 -0.180 1.022 1.00 0.00 C ATOM 139 O ILE A 85 -8.867 0.223 1.418 1.00 0.00 O ATOM 140 CB ILE A 85 -10.044 -1.350 -1.182 1.00 0.00 C ATOM 141 CG1 ILE A 85 -10.422 -2.662 -1.863 1.00 0.00 C ATOM 142 CG2 ILE A 85 -8.642 -0.929 -1.624 1.00 0.00 C ATOM 143 CD1 ILE A 85 -11.557 -2.412 -2.857 1.00 0.00 C ATOM 0 H ILE A 85 -12.150 -1.962 0.137 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.237 -2.173 0.644 1.00 0.00 H new ATOM 0 HB ILE A 85 -10.757 -0.575 -1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.557 -3.078 -2.379 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.732 -3.395 -1.118 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.627 -0.794 -2.705 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.373 0.008 -1.137 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.925 -1.701 -1.345 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -11.827 -3.349 -3.344 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -12.423 -2.015 -2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.230 -1.694 -3.609 1.00 0.00 H new ATOM 155 N ARG A 86 -11.022 0.535 1.163 1.00 0.00 N ATOM 156 CA ARG A 86 -10.949 1.872 1.819 1.00 0.00 C ATOM 157 C ARG A 86 -10.188 1.759 3.140 1.00 0.00 C ATOM 158 O ARG A 86 -9.556 2.696 3.585 1.00 0.00 O ATOM 159 CB ARG A 86 -12.365 2.379 2.093 1.00 0.00 C ATOM 160 CG ARG A 86 -12.951 2.973 0.812 1.00 0.00 C ATOM 161 CD ARG A 86 -14.306 3.612 1.115 1.00 0.00 C ATOM 162 NE ARG A 86 -14.627 4.616 0.060 1.00 0.00 N ATOM 163 CZ ARG A 86 -15.243 5.721 0.375 1.00 0.00 C ATOM 164 NH1 ARG A 86 -14.630 6.631 1.082 1.00 0.00 N ATOM 165 NH2 ARG A 86 -16.471 5.919 -0.019 1.00 0.00 N ATOM 0 H ARG A 86 -11.952 0.253 0.853 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.429 2.568 1.161 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.993 1.562 2.448 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.347 3.132 2.881 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.270 3.718 0.400 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.065 2.195 0.058 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -15.081 2.847 1.152 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.284 4.091 2.094 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.364 4.438 -0.909 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.669 6.478 1.388 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.112 7.496 1.328 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.949 5.209 -0.574 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.953 6.784 0.228 1.00 0.00 H new ATOM 179 N GLU A 87 -10.237 0.621 3.771 1.00 0.00 N ATOM 180 CA GLU A 87 -9.504 0.466 5.062 1.00 0.00 C ATOM 181 C GLU A 87 -8.111 -0.097 4.792 1.00 0.00 C ATOM 182 O GLU A 87 -7.124 0.474 5.199 1.00 0.00 O ATOM 183 CB GLU A 87 -10.262 -0.467 6.022 1.00 0.00 C ATOM 184 CG GLU A 87 -11.257 -1.341 5.254 1.00 0.00 C ATOM 185 CD GLU A 87 -11.702 -2.507 6.138 1.00 0.00 C ATOM 186 OE1 GLU A 87 -11.553 -2.400 7.344 1.00 0.00 O ATOM 187 OE2 GLU A 87 -12.184 -3.487 5.595 1.00 0.00 O ATOM 0 H GLU A 87 -10.747 -0.204 3.455 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.424 1.446 5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.554 -1.099 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.791 0.124 6.770 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.121 -0.748 4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.796 -1.718 4.341 1.00 0.00 H new ATOM 194 N ALA A 88 -8.016 -1.203 4.106 1.00 0.00 N ATOM 195 CA ALA A 88 -6.672 -1.779 3.820 1.00 0.00 C ATOM 196 C ALA A 88 -5.729 -0.659 3.376 1.00 0.00 C ATOM 197 O ALA A 88 -4.530 -0.738 3.547 1.00 0.00 O ATOM 198 CB ALA A 88 -6.787 -2.825 2.709 1.00 0.00 C ATOM 0 H ALA A 88 -8.806 -1.730 3.733 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.278 -2.253 4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.803 -3.245 2.501 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.461 -3.620 3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.179 -2.356 1.807 1.00 0.00 H new ATOM 204 N PHE A 89 -6.263 0.392 2.810 1.00 0.00 N ATOM 205 CA PHE A 89 -5.399 1.511 2.364 1.00 0.00 C ATOM 206 C PHE A 89 -4.738 2.153 3.575 1.00 0.00 C ATOM 207 O PHE A 89 -3.533 2.266 3.653 1.00 0.00 O ATOM 208 CB PHE A 89 -6.233 2.568 1.643 1.00 0.00 C ATOM 209 CG PHE A 89 -5.344 3.750 1.339 1.00 0.00 C ATOM 210 CD1 PHE A 89 -4.362 3.638 0.349 1.00 0.00 C ATOM 211 CD2 PHE A 89 -5.490 4.948 2.050 1.00 0.00 C ATOM 212 CE1 PHE A 89 -3.525 4.721 0.064 1.00 0.00 C ATOM 213 CE2 PHE A 89 -4.651 6.037 1.763 1.00 0.00 C ATOM 214 CZ PHE A 89 -3.668 5.922 0.769 1.00 0.00 C ATOM 0 H PHE A 89 -7.261 0.518 2.640 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.643 1.120 1.684 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.649 2.160 0.722 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.074 2.876 2.264 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.250 2.713 -0.197 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.246 5.034 2.817 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.768 4.631 -0.701 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.763 6.963 2.308 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.022 6.759 0.548 1.00 0.00 H new ATOM 224 N ARG A 90 -5.526 2.582 4.515 1.00 0.00 N ATOM 225 CA ARG A 90 -4.958 3.225 5.725 1.00 0.00 C ATOM 226 C ARG A 90 -4.092 2.213 6.476 1.00 0.00 C ATOM 227 O ARG A 90 -3.112 2.565 7.102 1.00 0.00 O ATOM 228 CB ARG A 90 -6.101 3.696 6.619 1.00 0.00 C ATOM 229 CG ARG A 90 -6.016 5.209 6.791 1.00 0.00 C ATOM 230 CD ARG A 90 -6.276 5.579 8.253 1.00 0.00 C ATOM 231 NE ARG A 90 -7.213 4.592 8.863 1.00 0.00 N ATOM 232 CZ ARG A 90 -8.404 4.425 8.359 1.00 0.00 C ATOM 233 NH1 ARG A 90 -9.201 5.449 8.209 1.00 0.00 N ATOM 234 NH2 ARG A 90 -8.801 3.234 8.004 1.00 0.00 N ATOM 0 H ARG A 90 -6.544 2.514 4.497 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.343 4.079 5.441 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.059 3.422 6.178 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.045 3.204 7.590 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.032 5.564 6.486 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.746 5.699 6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.337 5.594 8.807 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.698 6.582 8.315 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.922 4.047 9.675 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.892 6.381 8.486 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.132 5.317 7.815 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.180 2.433 8.121 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.733 3.103 7.610 1.00 0.00 H new ATOM 248 N VAL A 91 -4.439 0.957 6.412 1.00 0.00 N ATOM 249 CA VAL A 91 -3.626 -0.068 7.113 1.00 0.00 C ATOM 250 C VAL A 91 -2.155 0.181 6.785 1.00 0.00 C ATOM 251 O VAL A 91 -1.269 -0.117 7.561 1.00 0.00 O ATOM 252 CB VAL A 91 -4.041 -1.462 6.633 1.00 0.00 C ATOM 253 CG1 VAL A 91 -3.008 -2.492 7.088 1.00 0.00 C ATOM 254 CG2 VAL A 91 -5.407 -1.819 7.224 1.00 0.00 C ATOM 0 H VAL A 91 -5.249 0.600 5.905 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.781 -0.007 8.190 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.100 -1.465 5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.306 -3.483 6.745 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.034 -2.241 6.668 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.946 -2.489 8.176 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.703 -2.811 6.883 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.345 -1.813 8.312 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.147 -1.088 6.898 1.00 0.00 H new ATOM 264 N PHE A 92 -1.897 0.746 5.638 1.00 0.00 N ATOM 265 CA PHE A 92 -0.496 1.046 5.242 1.00 0.00 C ATOM 266 C PHE A 92 -0.241 2.541 5.440 1.00 0.00 C ATOM 267 O PHE A 92 0.856 2.964 5.746 1.00 0.00 O ATOM 268 CB PHE A 92 -0.298 0.689 3.768 1.00 0.00 C ATOM 269 CG PHE A 92 -0.218 -0.813 3.619 1.00 0.00 C ATOM 270 CD1 PHE A 92 0.991 -1.477 3.864 1.00 0.00 C ATOM 271 CD2 PHE A 92 -1.351 -1.544 3.236 1.00 0.00 C ATOM 272 CE1 PHE A 92 1.066 -2.869 3.727 1.00 0.00 C ATOM 273 CE2 PHE A 92 -1.274 -2.935 3.099 1.00 0.00 C ATOM 274 CZ PHE A 92 -0.066 -3.598 3.345 1.00 0.00 C ATOM 0 H PHE A 92 -2.604 1.014 4.954 1.00 0.00 H new ATOM 0 HA PHE A 92 0.197 0.465 5.851 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.124 1.080 3.174 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.614 1.152 3.390 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.865 -0.916 4.159 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.284 -1.034 3.047 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.998 -3.380 3.916 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.147 -3.497 2.803 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.008 -4.671 3.240 1.00 0.00 H new ATOM 284 N ASP A 93 -1.258 3.341 5.265 1.00 0.00 N ATOM 285 CA ASP A 93 -1.106 4.810 5.437 1.00 0.00 C ATOM 286 C ASP A 93 -1.482 5.197 6.868 1.00 0.00 C ATOM 287 O ASP A 93 -2.635 5.436 7.172 1.00 0.00 O ATOM 288 CB ASP A 93 -2.042 5.517 4.462 1.00 0.00 C ATOM 289 CG ASP A 93 -1.635 6.985 4.335 1.00 0.00 C ATOM 290 OD1 ASP A 93 -0.958 7.470 5.227 1.00 0.00 O ATOM 291 OD2 ASP A 93 -2.004 7.600 3.348 1.00 0.00 O ATOM 0 H ASP A 93 -2.196 3.034 5.008 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.074 5.101 5.243 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.002 5.032 3.487 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.072 5.443 4.812 1.00 0.00 H new ATOM 296 N LYS A 94 -0.525 5.253 7.751 1.00 0.00 N ATOM 297 CA LYS A 94 -0.830 5.613 9.156 1.00 0.00 C ATOM 298 C LYS A 94 -0.725 7.122 9.340 1.00 0.00 C ATOM 299 O LYS A 94 -1.311 7.690 10.240 1.00 0.00 O ATOM 300 CB LYS A 94 0.171 4.915 10.067 1.00 0.00 C ATOM 301 CG LYS A 94 0.231 3.427 9.714 1.00 0.00 C ATOM 302 CD LYS A 94 -0.581 2.621 10.731 1.00 0.00 C ATOM 303 CE LYS A 94 0.252 2.399 11.995 1.00 0.00 C ATOM 304 NZ LYS A 94 1.171 1.245 11.785 1.00 0.00 N ATOM 0 H LYS A 94 0.458 5.064 7.556 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.844 5.299 9.405 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.157 5.366 9.955 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.121 5.041 11.110 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.162 3.266 8.710 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.266 3.086 9.709 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.501 3.151 10.978 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.871 1.662 10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.825 3.296 12.229 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.402 2.207 12.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.055 1.405 12.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.718 0.374 12.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.382 1.149 10.771 1.00 0.00 H new ATOM 318 N ASP A 95 0.012 7.777 8.497 1.00 0.00 N ATOM 319 CA ASP A 95 0.146 9.251 8.628 1.00 0.00 C ATOM 320 C ASP A 95 -1.101 9.922 8.052 1.00 0.00 C ATOM 321 O ASP A 95 -1.204 11.133 8.032 1.00 0.00 O ATOM 322 CB ASP A 95 1.382 9.724 7.862 1.00 0.00 C ATOM 323 CG ASP A 95 1.818 11.092 8.390 1.00 0.00 C ATOM 324 OD1 ASP A 95 1.728 11.298 9.589 1.00 0.00 O ATOM 325 OD2 ASP A 95 2.233 11.912 7.587 1.00 0.00 O ATOM 0 H ASP A 95 0.528 7.358 7.723 1.00 0.00 H new ATOM 0 HA ASP A 95 0.252 9.516 9.680 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.192 9.003 7.977 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.160 9.787 6.797 1.00 0.00 H new ATOM 330 N GLY A 96 -2.054 9.139 7.598 1.00 0.00 N ATOM 331 CA GLY A 96 -3.312 9.716 7.026 1.00 0.00 C ATOM 332 C GLY A 96 -3.015 11.038 6.311 1.00 0.00 C ATOM 333 O GLY A 96 -3.785 11.975 6.375 1.00 0.00 O ATOM 0 H GLY A 96 -2.012 8.120 7.600 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.759 9.009 6.327 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -4.039 9.880 7.821 1.00 0.00 H new ATOM 337 N ASN A 97 -1.901 11.124 5.639 1.00 0.00 N ATOM 338 CA ASN A 97 -1.552 12.389 4.931 1.00 0.00 C ATOM 339 C ASN A 97 -2.149 12.375 3.521 1.00 0.00 C ATOM 340 O ASN A 97 -2.443 13.406 2.950 1.00 0.00 O ATOM 341 CB ASN A 97 -0.030 12.512 4.832 1.00 0.00 C ATOM 342 CG ASN A 97 0.501 11.480 3.835 1.00 0.00 C ATOM 343 OD1 ASN A 97 0.238 10.301 3.967 1.00 0.00 O ATOM 344 ND2 ASN A 97 1.242 11.874 2.834 1.00 0.00 N ATOM 0 H ASN A 97 -1.216 10.373 5.549 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.956 13.235 5.487 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.244 13.517 4.512 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.423 12.354 5.811 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.599 11.192 2.164 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.464 12.863 2.722 1.00 0.00 H new ATOM 351 N GLY A 98 -2.316 11.214 2.954 1.00 0.00 N ATOM 352 CA GLY A 98 -2.878 11.123 1.577 1.00 0.00 C ATOM 353 C GLY A 98 -2.183 9.985 0.843 1.00 0.00 C ATOM 354 O GLY A 98 -2.812 9.080 0.333 1.00 0.00 O ATOM 0 H GLY A 98 -2.086 10.319 3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.953 10.946 1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.730 12.063 1.045 1.00 0.00 H new ATOM 358 N TYR A 99 -0.882 10.017 0.801 1.00 0.00 N ATOM 359 CA TYR A 99 -0.136 8.936 0.117 1.00 0.00 C ATOM 360 C TYR A 99 0.588 8.090 1.161 1.00 0.00 C ATOM 361 O TYR A 99 0.863 8.537 2.257 1.00 0.00 O ATOM 362 CB TYR A 99 0.897 9.536 -0.841 1.00 0.00 C ATOM 363 CG TYR A 99 0.225 10.456 -1.828 1.00 0.00 C ATOM 364 CD1 TYR A 99 -1.145 10.340 -2.093 1.00 0.00 C ATOM 365 CD2 TYR A 99 0.984 11.431 -2.481 1.00 0.00 C ATOM 366 CE1 TYR A 99 -1.753 11.200 -3.012 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.377 12.292 -3.401 1.00 0.00 C ATOM 368 CZ TYR A 99 -0.993 12.177 -3.667 1.00 0.00 C ATOM 369 OH TYR A 99 -1.593 13.024 -4.575 1.00 0.00 O ATOM 0 H TYR A 99 -0.304 10.749 1.213 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.836 8.320 -0.448 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.650 10.085 -0.276 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.416 8.738 -1.373 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.731 9.587 -1.588 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.040 11.520 -2.275 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.810 11.111 -3.217 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.964 13.045 -3.906 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.924 13.642 -4.937 1.00 0.00 H new ATOM 379 N ILE A 100 0.907 6.875 0.827 1.00 0.00 N ATOM 380 CA ILE A 100 1.622 6.000 1.789 1.00 0.00 C ATOM 381 C ILE A 100 3.130 6.174 1.596 1.00 0.00 C ATOM 382 O ILE A 100 3.666 5.889 0.543 1.00 0.00 O ATOM 383 CB ILE A 100 1.223 4.549 1.524 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.236 4.348 1.943 1.00 0.00 C ATOM 385 CG2 ILE A 100 2.115 3.611 2.336 1.00 0.00 C ATOM 386 CD1 ILE A 100 -0.750 3.006 1.418 1.00 0.00 C ATOM 0 H ILE A 100 0.702 6.448 -0.076 1.00 0.00 H new ATOM 0 HA ILE A 100 1.360 6.266 2.813 1.00 0.00 H new ATOM 0 HB ILE A 100 1.340 4.327 0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.319 4.379 3.029 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.850 5.160 1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.827 2.578 2.144 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.156 3.757 2.046 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.000 3.828 3.398 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.788 2.871 1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.684 2.991 0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.144 2.198 1.829 1.00 0.00 H new ATOM 398 N SER A 101 3.819 6.650 2.598 1.00 0.00 N ATOM 399 CA SER A 101 5.287 6.849 2.459 1.00 0.00 C ATOM 400 C SER A 101 5.987 5.492 2.513 1.00 0.00 C ATOM 401 O SER A 101 5.441 4.522 2.995 1.00 0.00 O ATOM 402 CB SER A 101 5.793 7.732 3.599 1.00 0.00 C ATOM 403 OG SER A 101 5.754 6.999 4.816 1.00 0.00 O ATOM 0 H SER A 101 3.428 6.909 3.504 1.00 0.00 H new ATOM 0 HA SER A 101 5.502 7.333 1.506 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.811 8.063 3.393 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.177 8.628 3.681 1.00 0.00 H new ATOM 0 HG SER A 101 6.080 7.563 5.548 1.00 0.00 H new ATOM 409 N ALA A 102 7.191 5.415 2.018 1.00 0.00 N ATOM 410 CA ALA A 102 7.920 4.116 2.041 1.00 0.00 C ATOM 411 C ALA A 102 8.033 3.623 3.481 1.00 0.00 C ATOM 412 O ALA A 102 8.049 2.437 3.740 1.00 0.00 O ATOM 413 CB ALA A 102 9.318 4.304 1.452 1.00 0.00 C ATOM 0 H ALA A 102 7.701 6.193 1.600 1.00 0.00 H new ATOM 0 HA ALA A 102 7.375 3.382 1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.851 3.353 1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.235 4.655 0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.866 5.038 2.043 1.00 0.00 H new ATOM 419 N ALA A 103 8.108 4.520 4.423 1.00 0.00 N ATOM 420 CA ALA A 103 8.214 4.094 5.839 1.00 0.00 C ATOM 421 C ALA A 103 6.851 3.593 6.312 1.00 0.00 C ATOM 422 O ALA A 103 6.754 2.664 7.088 1.00 0.00 O ATOM 423 CB ALA A 103 8.656 5.278 6.701 1.00 0.00 C ATOM 0 H ALA A 103 8.100 5.529 4.271 1.00 0.00 H new ATOM 0 HA ALA A 103 8.950 3.295 5.928 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.733 4.962 7.741 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.627 5.636 6.358 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.924 6.081 6.619 1.00 0.00 H new ATOM 429 N GLU A 104 5.793 4.197 5.842 1.00 0.00 N ATOM 430 CA GLU A 104 4.438 3.751 6.257 1.00 0.00 C ATOM 431 C GLU A 104 4.121 2.421 5.572 1.00 0.00 C ATOM 432 O GLU A 104 3.302 1.651 6.030 1.00 0.00 O ATOM 433 CB GLU A 104 3.411 4.806 5.841 1.00 0.00 C ATOM 434 CG GLU A 104 3.420 5.958 6.849 1.00 0.00 C ATOM 435 CD GLU A 104 3.248 5.401 8.264 1.00 0.00 C ATOM 436 OE1 GLU A 104 2.477 4.469 8.422 1.00 0.00 O ATOM 437 OE2 GLU A 104 3.893 5.914 9.164 1.00 0.00 O ATOM 0 H GLU A 104 5.812 4.980 5.189 1.00 0.00 H new ATOM 0 HA GLU A 104 4.402 3.621 7.339 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.643 5.180 4.844 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.417 4.361 5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.356 6.511 6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.617 6.659 6.623 1.00 0.00 H new ATOM 444 N LEU A 105 4.774 2.144 4.476 1.00 0.00 N ATOM 445 CA LEU A 105 4.522 0.863 3.760 1.00 0.00 C ATOM 446 C LEU A 105 5.486 -0.199 4.285 1.00 0.00 C ATOM 447 O LEU A 105 5.219 -1.381 4.227 1.00 0.00 O ATOM 448 CB LEU A 105 4.752 1.070 2.262 1.00 0.00 C ATOM 449 CG LEU A 105 4.603 -0.262 1.525 1.00 0.00 C ATOM 450 CD1 LEU A 105 3.150 -0.439 1.080 1.00 0.00 C ATOM 451 CD2 LEU A 105 5.518 -0.267 0.297 1.00 0.00 C ATOM 0 H LEU A 105 5.472 2.751 4.046 1.00 0.00 H new ATOM 0 HA LEU A 105 3.495 0.539 3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.037 1.794 1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.747 1.481 2.091 1.00 0.00 H new ATOM 0 HG LEU A 105 4.880 -1.080 2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.043 -1.388 0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.499 -0.433 1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.871 0.378 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.414 -1.215 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.239 0.550 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.553 -0.140 0.614 1.00 0.00 H new ATOM 463 N ARG A 106 6.608 0.217 4.804 1.00 0.00 N ATOM 464 CA ARG A 106 7.590 -0.764 5.339 1.00 0.00 C ATOM 465 C ARG A 106 7.111 -1.253 6.707 1.00 0.00 C ATOM 466 O ARG A 106 7.374 -2.368 7.104 1.00 0.00 O ATOM 467 CB ARG A 106 8.958 -0.079 5.477 1.00 0.00 C ATOM 468 CG ARG A 106 9.845 -0.853 6.461 1.00 0.00 C ATOM 469 CD ARG A 106 11.130 -0.066 6.717 1.00 0.00 C ATOM 470 NE ARG A 106 11.497 -0.165 8.159 1.00 0.00 N ATOM 471 CZ ARG A 106 12.671 -0.619 8.506 1.00 0.00 C ATOM 472 NH1 ARG A 106 12.847 -1.899 8.691 1.00 0.00 N ATOM 473 NH2 ARG A 106 13.668 0.204 8.672 1.00 0.00 N ATOM 0 H ARG A 106 6.886 1.195 4.880 1.00 0.00 H new ATOM 0 HA ARG A 106 7.680 -1.614 4.663 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.445 -0.025 4.503 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.826 0.946 5.825 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.312 -1.014 7.398 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.083 -1.837 6.056 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.938 -0.457 6.098 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.991 0.978 6.437 1.00 0.00 H new ATOM 0 HE ARG A 106 10.830 0.122 8.875 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.067 -2.545 8.564 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.764 -2.254 8.962 1.00 0.00 H new ATOM 0 HH21 ARG A 106 13.532 1.205 8.531 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.584 -0.153 8.943 1.00 0.00 H new ATOM 487 N HIS A 107 6.413 -0.425 7.431 1.00 0.00 N ATOM 488 CA HIS A 107 5.927 -0.842 8.775 1.00 0.00 C ATOM 489 C HIS A 107 5.057 -2.095 8.653 1.00 0.00 C ATOM 490 O HIS A 107 5.183 -3.027 9.424 1.00 0.00 O ATOM 491 CB HIS A 107 5.102 0.291 9.390 1.00 0.00 C ATOM 492 CG HIS A 107 4.398 -0.213 10.621 1.00 0.00 C ATOM 493 ND1 HIS A 107 3.078 -0.492 10.874 1.00 0.00 N flip ATOM 494 CD2 HIS A 107 5.078 -0.501 11.796 1.00 0.00 C flip ATOM 495 CE1 HIS A 107 2.938 -0.947 12.182 1.00 0.00 C flip ATOM 496 NE2 HIS A 107 4.172 -0.934 12.692 1.00 0.00 N flip ATOM 0 H HIS A 107 6.158 0.522 7.151 1.00 0.00 H new ATOM 0 HA HIS A 107 6.784 -1.063 9.412 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.750 1.129 9.646 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.374 0.659 8.667 1.00 0.00 H new ATOM 0 HD2 HIS A 107 6.140 -0.397 11.961 1.00 0.00 H new ATOM 0 HE1 HIS A 107 2.027 -1.246 12.678 1.00 0.00 H new ATOM 0 HE2 HIS A 107 4.400 -1.218 13.645 1.00 0.00 H new ATOM 504 N VAL A 108 4.163 -2.123 7.704 1.00 0.00 N ATOM 505 CA VAL A 108 3.278 -3.311 7.553 1.00 0.00 C ATOM 506 C VAL A 108 3.898 -4.317 6.585 1.00 0.00 C ATOM 507 O VAL A 108 3.639 -5.501 6.660 1.00 0.00 O ATOM 508 CB VAL A 108 1.920 -2.858 7.019 1.00 0.00 C ATOM 509 CG1 VAL A 108 0.949 -4.039 7.014 1.00 0.00 C ATOM 510 CG2 VAL A 108 1.368 -1.748 7.915 1.00 0.00 C ATOM 0 H VAL A 108 4.007 -1.376 7.028 1.00 0.00 H new ATOM 0 HA VAL A 108 3.155 -3.791 8.524 1.00 0.00 H new ATOM 0 HB VAL A 108 2.037 -2.483 6.002 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.019 -3.713 6.633 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.342 -4.831 6.376 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.830 -4.417 8.030 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.399 -1.423 7.536 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.253 -2.124 8.931 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.058 -0.905 7.917 1.00 0.00 H new ATOM 520 N MET A 109 4.712 -3.864 5.679 1.00 0.00 N ATOM 521 CA MET A 109 5.339 -4.812 4.716 1.00 0.00 C ATOM 522 C MET A 109 6.190 -5.821 5.491 1.00 0.00 C ATOM 523 O MET A 109 6.167 -7.004 5.217 1.00 0.00 O ATOM 524 CB MET A 109 6.207 -4.041 3.720 1.00 0.00 C ATOM 525 CG MET A 109 5.340 -3.614 2.533 1.00 0.00 C ATOM 526 SD MET A 109 6.386 -2.971 1.203 1.00 0.00 S ATOM 527 CE MET A 109 7.528 -2.022 2.238 1.00 0.00 C ATOM 0 H MET A 109 4.971 -2.885 5.561 1.00 0.00 H new ATOM 0 HA MET A 109 4.564 -5.343 4.163 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.645 -3.166 4.200 1.00 0.00 H new ATOM 0 HB3 MET A 109 7.033 -4.665 3.378 1.00 0.00 H new ATOM 0 HG2 MET A 109 4.759 -4.463 2.172 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.628 -2.851 2.848 1.00 0.00 H new ATOM 0 HE1 MET A 109 8.302 -1.578 1.613 1.00 0.00 H new ATOM 0 HE2 MET A 109 6.981 -1.233 2.754 1.00 0.00 H new ATOM 0 HE3 MET A 109 7.989 -2.683 2.971 1.00 0.00 H new ATOM 537 N THR A 110 6.932 -5.366 6.466 1.00 0.00 N ATOM 538 CA THR A 110 7.765 -6.296 7.261 1.00 0.00 C ATOM 539 C THR A 110 6.866 -7.341 7.918 1.00 0.00 C ATOM 540 O THR A 110 7.289 -8.445 8.189 1.00 0.00 O ATOM 541 CB THR A 110 8.491 -5.504 8.344 1.00 0.00 C ATOM 542 OG1 THR A 110 8.562 -4.137 7.968 1.00 0.00 O ATOM 543 CG2 THR A 110 9.898 -6.054 8.511 1.00 0.00 C ATOM 0 H THR A 110 6.993 -4.386 6.742 1.00 0.00 H new ATOM 0 HA THR A 110 8.489 -6.792 6.615 1.00 0.00 H new ATOM 0 HB THR A 110 7.947 -5.593 9.285 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.723 -3.689 8.205 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.420 -5.490 9.284 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.846 -7.104 8.800 1.00 0.00 H new ATOM 0 HG23 THR A 110 10.438 -5.963 7.569 1.00 0.00 H new ATOM 551 N ASN A 111 5.624 -7.002 8.160 1.00 0.00 N ATOM 552 CA ASN A 111 4.686 -7.968 8.788 1.00 0.00 C ATOM 553 C ASN A 111 5.410 -8.777 9.871 1.00 0.00 C ATOM 554 O ASN A 111 5.497 -8.364 11.010 1.00 0.00 O ATOM 555 CB ASN A 111 4.151 -8.890 7.700 1.00 0.00 C ATOM 556 CG ASN A 111 3.191 -9.911 8.310 1.00 0.00 C ATOM 557 OD1 ASN A 111 3.259 -11.084 8.004 1.00 0.00 O ATOM 558 ND2 ASN A 111 2.290 -9.511 9.166 1.00 0.00 N ATOM 0 H ASN A 111 5.222 -6.089 7.946 1.00 0.00 H new ATOM 0 HA ASN A 111 3.860 -7.438 9.261 1.00 0.00 H new ATOM 0 HB2 ASN A 111 3.638 -8.306 6.936 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.977 -9.403 7.207 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.643 -10.184 9.578 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.233 -8.526 9.423 1.00 0.00 H new ATOM 565 N LEU A 112 5.935 -9.920 9.526 1.00 0.00 N ATOM 566 CA LEU A 112 6.657 -10.741 10.536 1.00 0.00 C ATOM 567 C LEU A 112 7.769 -11.526 9.844 1.00 0.00 C ATOM 568 O LEU A 112 7.717 -12.735 9.735 1.00 0.00 O ATOM 569 CB LEU A 112 5.681 -11.710 11.202 1.00 0.00 C ATOM 570 CG LEU A 112 5.011 -12.577 10.135 1.00 0.00 C ATOM 571 CD1 LEU A 112 5.535 -14.012 10.237 1.00 0.00 C ATOM 572 CD2 LEU A 112 3.496 -12.569 10.354 1.00 0.00 C ATOM 0 H LEU A 112 5.895 -10.320 8.589 1.00 0.00 H new ATOM 0 HA LEU A 112 7.089 -10.090 11.296 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.209 -12.340 11.918 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.927 -11.156 11.761 1.00 0.00 H new ATOM 0 HG LEU A 112 5.239 -12.179 9.146 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.057 -14.629 9.476 1.00 0.00 H new ATOM 0 HD12 LEU A 112 6.614 -14.017 10.083 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.308 -14.413 11.225 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.015 -13.186 9.595 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.269 -12.968 11.343 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.123 -11.547 10.280 1.00 0.00 H new ATOM 584 N GLY A 113 8.776 -10.846 9.372 1.00 0.00 N ATOM 585 CA GLY A 113 9.894 -11.548 8.682 1.00 0.00 C ATOM 586 C GLY A 113 9.986 -11.057 7.239 1.00 0.00 C ATOM 587 O GLY A 113 10.988 -11.236 6.574 1.00 0.00 O ATOM 0 H GLY A 113 8.873 -9.833 9.434 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.833 -11.360 9.203 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.729 -12.625 8.702 1.00 0.00 H new ATOM 591 N GLU A 114 8.947 -10.439 6.745 1.00 0.00 N ATOM 592 CA GLU A 114 8.973 -9.937 5.347 1.00 0.00 C ATOM 593 C GLU A 114 9.654 -8.565 5.300 1.00 0.00 C ATOM 594 O GLU A 114 9.197 -7.658 4.632 1.00 0.00 O ATOM 595 CB GLU A 114 7.540 -9.816 4.825 1.00 0.00 C ATOM 596 CG GLU A 114 6.823 -11.155 5.006 1.00 0.00 C ATOM 597 CD GLU A 114 5.463 -11.107 4.308 1.00 0.00 C ATOM 598 OE1 GLU A 114 5.446 -10.951 3.098 1.00 0.00 O ATOM 599 OE2 GLU A 114 4.462 -11.228 4.994 1.00 0.00 O ATOM 0 H GLU A 114 8.081 -10.261 7.253 1.00 0.00 H new ATOM 0 HA GLU A 114 9.532 -10.635 4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.010 -9.030 5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.547 -9.533 3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 114 7.428 -11.962 4.591 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.691 -11.368 6.067 1.00 0.00 H new ATOM 606 N LYS A 115 10.746 -8.405 5.999 1.00 0.00 N ATOM 607 CA LYS A 115 11.453 -7.094 5.988 1.00 0.00 C ATOM 608 C LYS A 115 11.984 -6.817 4.582 1.00 0.00 C ATOM 609 O LYS A 115 12.682 -7.625 4.001 1.00 0.00 O ATOM 610 CB LYS A 115 12.618 -7.128 6.981 1.00 0.00 C ATOM 611 CG LYS A 115 13.121 -5.706 7.231 1.00 0.00 C ATOM 612 CD LYS A 115 14.113 -5.714 8.395 1.00 0.00 C ATOM 613 CE LYS A 115 15.530 -5.496 7.860 1.00 0.00 C ATOM 614 NZ LYS A 115 15.582 -4.216 7.099 1.00 0.00 N ATOM 0 H LYS A 115 11.178 -9.126 6.577 1.00 0.00 H new ATOM 0 HA LYS A 115 10.759 -6.305 6.277 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.296 -7.581 7.919 1.00 0.00 H new ATOM 0 HB3 LYS A 115 13.425 -7.746 6.589 1.00 0.00 H new ATOM 0 HG2 LYS A 115 13.600 -5.315 6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 115 12.283 -5.047 7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 115 13.858 -4.931 9.109 1.00 0.00 H new ATOM 0 HD3 LYS A 115 14.056 -6.663 8.928 1.00 0.00 H new ATOM 0 HE2 LYS A 115 16.242 -5.470 8.685 1.00 0.00 H new ATOM 0 HE3 LYS A 115 15.819 -6.326 7.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.482 -3.733 7.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.509 -4.414 6.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 14.791 -3.606 7.390 1.00 0.00 H new ATOM 628 N LEU A 116 11.658 -5.682 4.031 1.00 0.00 N ATOM 629 CA LEU A 116 12.141 -5.352 2.661 1.00 0.00 C ATOM 630 C LEU A 116 13.282 -4.338 2.753 1.00 0.00 C ATOM 631 O LEU A 116 13.246 -3.420 3.549 1.00 0.00 O ATOM 632 CB LEU A 116 10.997 -4.742 1.849 1.00 0.00 C ATOM 633 CG LEU A 116 9.812 -5.708 1.811 1.00 0.00 C ATOM 634 CD1 LEU A 116 8.589 -4.979 1.252 1.00 0.00 C ATOM 635 CD2 LEU A 116 10.151 -6.900 0.913 1.00 0.00 C ATOM 0 H LEU A 116 11.077 -4.968 4.470 1.00 0.00 H new ATOM 0 HA LEU A 116 12.494 -6.262 2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 116 10.691 -3.794 2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 116 11.334 -4.526 0.835 1.00 0.00 H new ATOM 0 HG LEU A 116 9.598 -6.066 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 116 7.740 -5.662 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 116 8.348 -4.129 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.806 -4.625 0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 116 9.306 -7.588 0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 116 10.363 -6.547 -0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 116 11.026 -7.416 1.308 1.00 0.00 H new ATOM 647 N THR A 117 14.289 -4.487 1.937 1.00 0.00 N ATOM 648 CA THR A 117 15.420 -3.520 1.973 1.00 0.00 C ATOM 649 C THR A 117 14.915 -2.156 1.497 1.00 0.00 C ATOM 650 O THR A 117 13.728 -1.944 1.351 1.00 0.00 O ATOM 651 CB THR A 117 16.540 -4.009 1.047 1.00 0.00 C ATOM 652 OG1 THR A 117 16.009 -4.944 0.118 1.00 0.00 O ATOM 653 CG2 THR A 117 17.637 -4.678 1.876 1.00 0.00 C ATOM 0 H THR A 117 14.377 -5.235 1.249 1.00 0.00 H new ATOM 0 HA THR A 117 15.808 -3.436 2.988 1.00 0.00 H new ATOM 0 HB THR A 117 16.963 -3.160 0.509 1.00 0.00 H new ATOM 0 HG1 THR A 117 16.723 -5.257 -0.476 1.00 0.00 H new ATOM 0 HG21 THR A 117 18.432 -5.025 1.216 1.00 0.00 H new ATOM 0 HG22 THR A 117 18.044 -3.960 2.588 1.00 0.00 H new ATOM 0 HG23 THR A 117 17.218 -5.527 2.416 1.00 0.00 H new ATOM 661 N ASP A 118 15.799 -1.228 1.251 1.00 0.00 N ATOM 662 CA ASP A 118 15.346 0.113 0.781 1.00 0.00 C ATOM 663 C ASP A 118 14.984 0.032 -0.700 1.00 0.00 C ATOM 664 O ASP A 118 13.919 0.448 -1.112 1.00 0.00 O ATOM 665 CB ASP A 118 16.462 1.135 0.979 1.00 0.00 C ATOM 666 CG ASP A 118 16.328 1.779 2.360 1.00 0.00 C ATOM 667 OD1 ASP A 118 15.530 2.692 2.489 1.00 0.00 O ATOM 668 OD2 ASP A 118 17.024 1.348 3.263 1.00 0.00 O ATOM 0 H ASP A 118 16.808 -1.338 1.354 1.00 0.00 H new ATOM 0 HA ASP A 118 14.473 0.422 1.356 1.00 0.00 H new ATOM 0 HB2 ASP A 118 17.434 0.650 0.885 1.00 0.00 H new ATOM 0 HB3 ASP A 118 16.411 1.899 0.204 1.00 0.00 H new ATOM 673 N GLU A 119 15.857 -0.506 -1.507 1.00 0.00 N ATOM 674 CA GLU A 119 15.550 -0.617 -2.958 1.00 0.00 C ATOM 675 C GLU A 119 14.389 -1.598 -3.135 1.00 0.00 C ATOM 676 O GLU A 119 13.591 -1.478 -4.044 1.00 0.00 O ATOM 677 CB GLU A 119 16.816 -1.090 -3.708 1.00 0.00 C ATOM 678 CG GLU A 119 16.541 -2.356 -4.534 1.00 0.00 C ATOM 679 CD GLU A 119 17.838 -2.828 -5.195 1.00 0.00 C ATOM 680 OE1 GLU A 119 18.380 -2.081 -5.991 1.00 0.00 O ATOM 681 OE2 GLU A 119 18.266 -3.930 -4.891 1.00 0.00 O ATOM 0 H GLU A 119 16.766 -0.872 -1.224 1.00 0.00 H new ATOM 0 HA GLU A 119 15.255 0.347 -3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.169 -0.295 -4.365 1.00 0.00 H new ATOM 0 HB3 GLU A 119 17.612 -1.288 -2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 119 16.141 -3.141 -3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 119 15.787 -2.150 -5.294 1.00 0.00 H new ATOM 688 N GLU A 120 14.288 -2.558 -2.263 1.00 0.00 N ATOM 689 CA GLU A 120 13.175 -3.543 -2.363 1.00 0.00 C ATOM 690 C GLU A 120 11.865 -2.847 -2.000 1.00 0.00 C ATOM 691 O GLU A 120 10.851 -3.034 -2.642 1.00 0.00 O ATOM 692 CB GLU A 120 13.420 -4.705 -1.400 1.00 0.00 C ATOM 693 CG GLU A 120 12.153 -5.557 -1.300 1.00 0.00 C ATOM 694 CD GLU A 120 11.819 -6.142 -2.673 1.00 0.00 C ATOM 695 OE1 GLU A 120 12.499 -7.067 -3.083 1.00 0.00 O ATOM 696 OE2 GLU A 120 10.885 -5.655 -3.292 1.00 0.00 O ATOM 0 H GLU A 120 14.929 -2.705 -1.483 1.00 0.00 H new ATOM 0 HA GLU A 120 13.121 -3.931 -3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 120 14.254 -5.313 -1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 120 13.695 -4.325 -0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 120 12.298 -6.360 -0.577 1.00 0.00 H new ATOM 0 HG3 GLU A 120 11.322 -4.950 -0.940 1.00 0.00 H new ATOM 703 N VAL A 121 11.883 -2.028 -0.983 1.00 0.00 N ATOM 704 CA VAL A 121 10.643 -1.305 -0.596 1.00 0.00 C ATOM 705 C VAL A 121 10.225 -0.424 -1.769 1.00 0.00 C ATOM 706 O VAL A 121 9.055 -0.260 -2.057 1.00 0.00 O ATOM 707 CB VAL A 121 10.918 -0.436 0.635 1.00 0.00 C ATOM 708 CG1 VAL A 121 9.780 0.572 0.815 1.00 0.00 C ATOM 709 CG2 VAL A 121 11.006 -1.329 1.874 1.00 0.00 C ATOM 0 H VAL A 121 12.701 -1.830 -0.407 1.00 0.00 H new ATOM 0 HA VAL A 121 9.849 -2.012 -0.354 1.00 0.00 H new ATOM 0 HB VAL A 121 11.858 0.099 0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.976 1.190 1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.713 1.206 -0.069 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.839 0.038 0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 121 11.202 -0.714 2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 121 10.064 -1.862 2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 121 11.815 -2.048 1.747 1.00 0.00 H new ATOM 719 N ASP A 122 11.183 0.134 -2.456 1.00 0.00 N ATOM 720 CA ASP A 122 10.870 0.994 -3.623 1.00 0.00 C ATOM 721 C ASP A 122 10.243 0.135 -4.717 1.00 0.00 C ATOM 722 O ASP A 122 9.504 0.616 -5.548 1.00 0.00 O ATOM 723 CB ASP A 122 12.161 1.618 -4.149 1.00 0.00 C ATOM 724 CG ASP A 122 11.941 3.108 -4.411 1.00 0.00 C ATOM 725 OD1 ASP A 122 11.019 3.432 -5.142 1.00 0.00 O ATOM 726 OD2 ASP A 122 12.697 3.901 -3.874 1.00 0.00 O ATOM 0 H ASP A 122 12.177 0.028 -2.254 1.00 0.00 H new ATOM 0 HA ASP A 122 10.177 1.782 -3.328 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.964 1.480 -3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.470 1.119 -5.067 1.00 0.00 H new ATOM 731 N GLU A 123 10.537 -1.135 -4.721 1.00 0.00 N ATOM 732 CA GLU A 123 9.955 -2.032 -5.757 1.00 0.00 C ATOM 733 C GLU A 123 8.486 -2.297 -5.419 1.00 0.00 C ATOM 734 O GLU A 123 7.620 -2.218 -6.267 1.00 0.00 O ATOM 735 CB GLU A 123 10.719 -3.358 -5.784 1.00 0.00 C ATOM 736 CG GLU A 123 12.097 -3.144 -6.415 1.00 0.00 C ATOM 737 CD GLU A 123 12.704 -4.498 -6.787 1.00 0.00 C ATOM 738 OE1 GLU A 123 12.717 -5.373 -5.937 1.00 0.00 O ATOM 739 OE2 GLU A 123 13.145 -4.637 -7.916 1.00 0.00 O ATOM 0 H GLU A 123 11.156 -1.591 -4.051 1.00 0.00 H new ATOM 0 HA GLU A 123 10.031 -1.557 -6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 123 10.828 -3.747 -4.772 1.00 0.00 H new ATOM 0 HB3 GLU A 123 10.159 -4.100 -6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 123 12.009 -2.517 -7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 123 12.751 -2.620 -5.718 1.00 0.00 H new ATOM 746 N MET A 124 8.196 -2.599 -4.181 1.00 0.00 N ATOM 747 CA MET A 124 6.782 -2.852 -3.796 1.00 0.00 C ATOM 748 C MET A 124 5.964 -1.591 -4.073 1.00 0.00 C ATOM 749 O MET A 124 4.781 -1.649 -4.345 1.00 0.00 O ATOM 750 CB MET A 124 6.708 -3.205 -2.313 1.00 0.00 C ATOM 751 CG MET A 124 6.870 -4.716 -2.139 1.00 0.00 C ATOM 752 SD MET A 124 5.473 -5.563 -2.918 1.00 0.00 S ATOM 753 CE MET A 124 6.431 -6.823 -3.796 1.00 0.00 C ATOM 0 H MET A 124 8.876 -2.681 -3.425 1.00 0.00 H new ATOM 0 HA MET A 124 6.382 -3.684 -4.375 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.489 -2.679 -1.764 1.00 0.00 H new ATOM 0 HB3 MET A 124 5.753 -2.881 -1.898 1.00 0.00 H new ATOM 0 HG2 MET A 124 7.807 -5.047 -2.588 1.00 0.00 H new ATOM 0 HG3 MET A 124 6.918 -4.968 -1.080 1.00 0.00 H new ATOM 0 HE1 MET A 124 5.755 -7.470 -4.355 1.00 0.00 H new ATOM 0 HE2 MET A 124 7.123 -6.339 -4.485 1.00 0.00 H new ATOM 0 HE3 MET A 124 6.993 -7.420 -3.077 1.00 0.00 H new ATOM 763 N ILE A 125 6.595 -0.451 -4.014 1.00 0.00 N ATOM 764 CA ILE A 125 5.880 0.822 -4.277 1.00 0.00 C ATOM 765 C ILE A 125 5.788 1.052 -5.782 1.00 0.00 C ATOM 766 O ILE A 125 4.831 1.595 -6.282 1.00 0.00 O ATOM 767 CB ILE A 125 6.660 1.973 -3.654 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.561 1.876 -2.122 1.00 0.00 C ATOM 769 CG2 ILE A 125 6.074 3.303 -4.145 1.00 0.00 C ATOM 770 CD1 ILE A 125 6.712 3.262 -1.483 1.00 0.00 C ATOM 0 H ILE A 125 7.585 -0.350 -3.792 1.00 0.00 H new ATOM 0 HA ILE A 125 4.879 0.770 -3.848 1.00 0.00 H new ATOM 0 HB ILE A 125 7.709 1.920 -3.946 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.601 1.442 -1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.335 1.209 -1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 125 6.628 4.130 -3.702 1.00 0.00 H new ATOM 0 HG22 ILE A 125 6.150 3.355 -5.231 1.00 0.00 H new ATOM 0 HG23 ILE A 125 5.027 3.370 -3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.639 3.173 -0.399 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.683 3.681 -1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.922 3.919 -1.847 1.00 0.00 H new ATOM 782 N ARG A 126 6.798 0.659 -6.497 1.00 0.00 N ATOM 783 CA ARG A 126 6.806 0.859 -7.976 1.00 0.00 C ATOM 784 C ARG A 126 5.617 0.136 -8.618 1.00 0.00 C ATOM 785 O ARG A 126 5.101 0.559 -9.634 1.00 0.00 O ATOM 786 CB ARG A 126 8.104 0.291 -8.558 1.00 0.00 C ATOM 787 CG ARG A 126 9.139 1.408 -8.698 1.00 0.00 C ATOM 788 CD ARG A 126 10.396 0.858 -9.378 1.00 0.00 C ATOM 789 NE ARG A 126 10.049 0.359 -10.739 1.00 0.00 N ATOM 790 CZ ARG A 126 10.567 0.926 -11.794 1.00 0.00 C ATOM 791 NH1 ARG A 126 11.834 1.239 -11.808 1.00 0.00 N ATOM 792 NH2 ARG A 126 9.820 1.177 -12.833 1.00 0.00 N ATOM 0 H ARG A 126 7.629 0.203 -6.121 1.00 0.00 H new ATOM 0 HA ARG A 126 6.734 1.926 -8.186 1.00 0.00 H new ATOM 0 HB2 ARG A 126 8.490 -0.496 -7.911 1.00 0.00 H new ATOM 0 HB3 ARG A 126 7.910 -0.162 -9.530 1.00 0.00 H new ATOM 0 HG2 ARG A 126 8.726 2.230 -9.283 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.390 1.811 -7.717 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.155 1.637 -9.448 1.00 0.00 H new ATOM 0 HD3 ARG A 126 10.821 0.051 -8.781 1.00 0.00 H new ATOM 0 HE ARG A 126 9.406 -0.426 -10.846 1.00 0.00 H new ATOM 0 HH11 ARG A 126 12.417 1.040 -10.995 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.241 1.682 -12.632 1.00 0.00 H new ATOM 0 HH21 ARG A 126 8.830 0.930 -12.821 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.225 1.620 -13.657 1.00 0.00 H new ATOM 806 N GLU A 127 5.187 -0.958 -8.050 1.00 0.00 N ATOM 807 CA GLU A 127 4.045 -1.709 -8.650 1.00 0.00 C ATOM 808 C GLU A 127 2.715 -1.216 -8.071 1.00 0.00 C ATOM 809 O GLU A 127 1.655 -1.633 -8.495 1.00 0.00 O ATOM 810 CB GLU A 127 4.211 -3.199 -8.352 1.00 0.00 C ATOM 811 CG GLU A 127 4.061 -3.444 -6.851 1.00 0.00 C ATOM 812 CD GLU A 127 3.195 -4.683 -6.621 1.00 0.00 C ATOM 813 OE1 GLU A 127 3.751 -5.767 -6.553 1.00 0.00 O ATOM 814 OE2 GLU A 127 1.988 -4.529 -6.519 1.00 0.00 O ATOM 0 H GLU A 127 5.575 -1.364 -7.199 1.00 0.00 H new ATOM 0 HA GLU A 127 4.039 -1.543 -9.727 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.465 -3.775 -8.900 1.00 0.00 H new ATOM 0 HB3 GLU A 127 5.189 -3.541 -8.690 1.00 0.00 H new ATOM 0 HG2 GLU A 127 5.041 -3.582 -6.395 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.607 -2.576 -6.374 1.00 0.00 H new ATOM 821 N ALA A 128 2.754 -0.337 -7.109 1.00 0.00 N ATOM 822 CA ALA A 128 1.483 0.170 -6.513 1.00 0.00 C ATOM 823 C ALA A 128 1.183 1.572 -7.050 1.00 0.00 C ATOM 824 O ALA A 128 0.043 1.976 -7.161 1.00 0.00 O ATOM 825 CB ALA A 128 1.626 0.227 -4.991 1.00 0.00 C ATOM 0 H ALA A 128 3.608 0.052 -6.709 1.00 0.00 H new ATOM 0 HA ALA A 128 0.665 -0.499 -6.780 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.699 0.597 -4.552 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.836 -0.772 -4.608 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.445 0.896 -4.727 1.00 0.00 H new ATOM 831 N ASP A 129 2.201 2.319 -7.376 1.00 0.00 N ATOM 832 CA ASP A 129 1.991 3.696 -7.898 1.00 0.00 C ATOM 833 C ASP A 129 2.124 3.694 -9.423 1.00 0.00 C ATOM 834 O ASP A 129 2.853 2.905 -9.992 1.00 0.00 O ATOM 835 CB ASP A 129 3.046 4.622 -7.286 1.00 0.00 C ATOM 836 CG ASP A 129 4.392 4.413 -7.987 1.00 0.00 C ATOM 837 OD1 ASP A 129 4.522 4.848 -9.120 1.00 0.00 O ATOM 838 OD2 ASP A 129 5.270 3.821 -7.379 1.00 0.00 O ATOM 0 H ASP A 129 3.177 2.031 -7.302 1.00 0.00 H new ATOM 0 HA ASP A 129 0.994 4.046 -7.631 1.00 0.00 H new ATOM 0 HB2 ASP A 129 2.732 5.661 -7.385 1.00 0.00 H new ATOM 0 HB3 ASP A 129 3.146 4.419 -6.220 1.00 0.00 H new ATOM 843 N ILE A 130 1.427 4.571 -10.090 1.00 0.00 N ATOM 844 CA ILE A 130 1.516 4.620 -11.570 1.00 0.00 C ATOM 845 C ILE A 130 2.173 5.932 -11.995 1.00 0.00 C ATOM 846 O ILE A 130 2.820 6.014 -13.020 1.00 0.00 O ATOM 847 CB ILE A 130 0.109 4.542 -12.154 1.00 0.00 C ATOM 848 CG1 ILE A 130 -0.520 3.201 -11.776 1.00 0.00 C ATOM 849 CG2 ILE A 130 0.179 4.666 -13.677 1.00 0.00 C ATOM 850 CD1 ILE A 130 -2.032 3.370 -11.625 1.00 0.00 C ATOM 0 H ILE A 130 0.799 5.256 -9.670 1.00 0.00 H new ATOM 0 HA ILE A 130 2.113 3.783 -11.934 1.00 0.00 H new ATOM 0 HB ILE A 130 -0.498 5.355 -11.755 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -0.301 2.456 -12.541 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -0.090 2.836 -10.844 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -0.827 4.610 -14.093 1.00 0.00 H new ATOM 0 HG22 ILE A 130 0.630 5.622 -13.944 1.00 0.00 H new ATOM 0 HG23 ILE A 130 0.784 3.854 -14.081 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -2.480 2.414 -11.356 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -2.240 4.101 -10.844 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -2.455 3.716 -12.568 1.00 0.00 H new ATOM 862 N ASP A 131 2.011 6.957 -11.209 1.00 0.00 N ATOM 863 CA ASP A 131 2.621 8.272 -11.556 1.00 0.00 C ATOM 864 C ASP A 131 4.144 8.131 -11.610 1.00 0.00 C ATOM 865 O ASP A 131 4.809 8.780 -12.395 1.00 0.00 O ATOM 866 CB ASP A 131 2.240 9.306 -10.493 1.00 0.00 C ATOM 867 CG ASP A 131 1.446 10.441 -11.144 1.00 0.00 C ATOM 868 OD1 ASP A 131 1.897 10.946 -12.159 1.00 0.00 O ATOM 869 OD2 ASP A 131 0.401 10.784 -10.616 1.00 0.00 O ATOM 0 H ASP A 131 1.481 6.942 -10.338 1.00 0.00 H new ATOM 0 HA ASP A 131 2.253 8.598 -12.529 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.646 8.835 -9.710 1.00 0.00 H new ATOM 0 HB3 ASP A 131 3.138 9.702 -10.018 1.00 0.00 H new ATOM 874 N GLY A 132 4.703 7.289 -10.783 1.00 0.00 N ATOM 875 CA GLY A 132 6.184 7.107 -10.792 1.00 0.00 C ATOM 876 C GLY A 132 6.840 8.175 -9.917 1.00 0.00 C ATOM 877 O GLY A 132 8.008 8.479 -10.061 1.00 0.00 O ATOM 0 H GLY A 132 4.200 6.720 -10.102 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.440 6.114 -10.424 1.00 0.00 H new ATOM 0 HA3 GLY A 132 6.562 7.176 -11.812 1.00 0.00 H new ATOM 881 N ASP A 133 6.098 8.750 -9.009 1.00 0.00 N ATOM 882 CA ASP A 133 6.681 9.800 -8.127 1.00 0.00 C ATOM 883 C ASP A 133 7.403 9.141 -6.954 1.00 0.00 C ATOM 884 O ASP A 133 8.337 9.683 -6.397 1.00 0.00 O ATOM 885 CB ASP A 133 5.570 10.701 -7.598 1.00 0.00 C ATOM 886 CG ASP A 133 4.369 9.850 -7.180 1.00 0.00 C ATOM 887 OD1 ASP A 133 4.456 9.207 -6.147 1.00 0.00 O ATOM 888 OD2 ASP A 133 3.385 9.855 -7.901 1.00 0.00 O ATOM 0 H ASP A 133 5.115 8.538 -8.841 1.00 0.00 H new ATOM 0 HA ASP A 133 7.390 10.398 -8.700 1.00 0.00 H new ATOM 0 HB2 ASP A 133 5.932 11.279 -6.748 1.00 0.00 H new ATOM 0 HB3 ASP A 133 5.272 11.415 -8.365 1.00 0.00 H new ATOM 893 N GLY A 134 6.974 7.976 -6.583 1.00 0.00 N ATOM 894 CA GLY A 134 7.625 7.261 -5.447 1.00 0.00 C ATOM 895 C GLY A 134 6.688 7.256 -4.239 1.00 0.00 C ATOM 896 O GLY A 134 7.121 7.206 -3.105 1.00 0.00 O ATOM 0 H GLY A 134 6.196 7.480 -7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.865 6.238 -5.738 1.00 0.00 H new ATOM 0 HA3 GLY A 134 8.565 7.748 -5.189 1.00 0.00 H new ATOM 900 N GLN A 135 5.405 7.304 -4.470 1.00 0.00 N ATOM 901 CA GLN A 135 4.443 7.299 -3.332 1.00 0.00 C ATOM 902 C GLN A 135 3.170 6.557 -3.746 1.00 0.00 C ATOM 903 O GLN A 135 2.914 6.353 -4.917 1.00 0.00 O ATOM 904 CB GLN A 135 4.104 8.748 -2.938 1.00 0.00 C ATOM 905 CG GLN A 135 2.950 9.275 -3.799 1.00 0.00 C ATOM 906 CD GLN A 135 3.218 10.732 -4.180 1.00 0.00 C ATOM 907 OE1 GLN A 135 2.754 11.200 -5.200 1.00 0.00 O ATOM 908 NE2 GLN A 135 3.951 11.475 -3.396 1.00 0.00 N ATOM 0 H GLN A 135 4.981 7.346 -5.397 1.00 0.00 H new ATOM 0 HA GLN A 135 4.890 6.793 -2.476 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.830 8.791 -1.884 1.00 0.00 H new ATOM 0 HB3 GLN A 135 4.981 9.382 -3.066 1.00 0.00 H new ATOM 0 HG2 GLN A 135 2.846 8.667 -4.698 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.010 9.199 -3.252 1.00 0.00 H new ATOM 0 HE21 GLN A 135 4.341 11.082 -2.539 1.00 0.00 H new ATOM 0 HE22 GLN A 135 4.134 12.448 -3.640 1.00 0.00 H new ATOM 917 N VAL A 136 2.369 6.161 -2.799 1.00 0.00 N ATOM 918 CA VAL A 136 1.115 5.444 -3.140 1.00 0.00 C ATOM 919 C VAL A 136 -0.082 6.268 -2.660 1.00 0.00 C ATOM 920 O VAL A 136 0.063 7.215 -1.919 1.00 0.00 O ATOM 921 CB VAL A 136 1.119 4.084 -2.446 1.00 0.00 C ATOM 922 CG1 VAL A 136 -0.179 3.341 -2.757 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.311 3.269 -2.951 1.00 0.00 C ATOM 0 H VAL A 136 2.530 6.304 -1.802 1.00 0.00 H new ATOM 0 HA VAL A 136 1.044 5.303 -4.218 1.00 0.00 H new ATOM 0 HB VAL A 136 1.199 4.224 -1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.171 2.371 -2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -1.027 3.925 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.266 3.196 -3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.321 2.296 -2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.227 3.131 -4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.236 3.799 -2.725 1.00 0.00 H new ATOM 933 N ASN A 137 -1.263 5.913 -3.078 1.00 0.00 N ATOM 934 CA ASN A 137 -2.476 6.664 -2.645 1.00 0.00 C ATOM 935 C ASN A 137 -3.644 5.683 -2.576 1.00 0.00 C ATOM 936 O ASN A 137 -3.448 4.489 -2.595 1.00 0.00 O ATOM 937 CB ASN A 137 -2.773 7.780 -3.642 1.00 0.00 C ATOM 938 CG ASN A 137 -3.662 8.844 -2.995 1.00 0.00 C ATOM 939 OD1 ASN A 137 -3.739 8.938 -1.788 1.00 0.00 O ATOM 940 ND2 ASN A 137 -4.346 9.653 -3.757 1.00 0.00 N ATOM 0 H ASN A 137 -1.443 5.129 -3.706 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.317 7.116 -1.666 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.841 8.232 -3.981 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.267 7.369 -4.522 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.945 10.364 -3.338 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.281 9.574 -4.772 1.00 0.00 H new ATOM 947 N TYR A 138 -4.851 6.153 -2.484 1.00 0.00 N ATOM 948 CA TYR A 138 -5.991 5.210 -2.401 1.00 0.00 C ATOM 949 C TYR A 138 -6.353 4.699 -3.795 1.00 0.00 C ATOM 950 O TYR A 138 -6.632 3.534 -3.977 1.00 0.00 O ATOM 951 CB TYR A 138 -7.194 5.914 -1.794 1.00 0.00 C ATOM 952 CG TYR A 138 -8.328 4.933 -1.718 1.00 0.00 C ATOM 953 CD1 TYR A 138 -8.203 3.810 -0.901 1.00 0.00 C ATOM 954 CD2 TYR A 138 -9.491 5.137 -2.464 1.00 0.00 C ATOM 955 CE1 TYR A 138 -9.245 2.881 -0.824 1.00 0.00 C ATOM 956 CE2 TYR A 138 -10.537 4.211 -2.391 1.00 0.00 C ATOM 957 CZ TYR A 138 -10.415 3.080 -1.570 1.00 0.00 C ATOM 958 OH TYR A 138 -11.446 2.166 -1.495 1.00 0.00 O ATOM 0 H TYR A 138 -5.096 7.143 -2.463 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.705 4.366 -1.773 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.951 6.291 -0.800 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.476 6.774 -2.401 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.301 3.658 -0.327 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.583 6.008 -3.096 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.149 2.011 -0.191 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.438 4.367 -2.966 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.182 2.455 -2.073 1.00 0.00 H new ATOM 968 N GLU A 139 -6.359 5.554 -4.778 1.00 0.00 N ATOM 969 CA GLU A 139 -6.710 5.092 -6.148 1.00 0.00 C ATOM 970 C GLU A 139 -5.580 4.215 -6.691 1.00 0.00 C ATOM 971 O GLU A 139 -5.803 3.311 -7.470 1.00 0.00 O ATOM 972 CB GLU A 139 -6.912 6.299 -7.065 1.00 0.00 C ATOM 973 CG GLU A 139 -8.410 6.552 -7.249 1.00 0.00 C ATOM 974 CD GLU A 139 -8.866 7.647 -6.285 1.00 0.00 C ATOM 975 OE1 GLU A 139 -8.693 7.468 -5.091 1.00 0.00 O ATOM 976 OE2 GLU A 139 -9.382 8.647 -6.757 1.00 0.00 O ATOM 0 H GLU A 139 -6.138 6.546 -4.693 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.634 4.515 -6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -6.433 7.179 -6.636 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -6.441 6.118 -8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.615 6.850 -8.277 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.970 5.635 -7.065 1.00 0.00 H new ATOM 983 N GLU A 140 -4.371 4.469 -6.273 1.00 0.00 N ATOM 984 CA GLU A 140 -3.228 3.642 -6.753 1.00 0.00 C ATOM 985 C GLU A 140 -3.120 2.397 -5.870 1.00 0.00 C ATOM 986 O GLU A 140 -2.791 1.321 -6.327 1.00 0.00 O ATOM 987 CB GLU A 140 -1.935 4.454 -6.658 1.00 0.00 C ATOM 988 CG GLU A 140 -2.147 5.832 -7.290 1.00 0.00 C ATOM 989 CD GLU A 140 -2.193 5.694 -8.813 1.00 0.00 C ATOM 990 OE1 GLU A 140 -2.731 4.704 -9.282 1.00 0.00 O ATOM 991 OE2 GLU A 140 -1.691 6.580 -9.485 1.00 0.00 O ATOM 0 H GLU A 140 -4.125 5.213 -5.620 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.389 3.348 -7.790 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -1.638 4.563 -5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.126 3.930 -7.167 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -3.076 6.272 -6.926 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.340 6.505 -6.999 1.00 0.00 H new ATOM 998 N PHE A 141 -3.409 2.542 -4.606 1.00 0.00 N ATOM 999 CA PHE A 141 -3.341 1.382 -3.676 1.00 0.00 C ATOM 1000 C PHE A 141 -4.495 0.427 -3.980 1.00 0.00 C ATOM 1001 O PHE A 141 -4.414 -0.755 -3.732 1.00 0.00 O ATOM 1002 CB PHE A 141 -3.470 1.888 -2.238 1.00 0.00 C ATOM 1003 CG PHE A 141 -3.770 0.736 -1.305 1.00 0.00 C ATOM 1004 CD1 PHE A 141 -2.721 0.023 -0.714 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -5.099 0.387 -1.026 1.00 0.00 C ATOM 1006 CE1 PHE A 141 -2.999 -1.037 0.155 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -5.376 -0.673 -0.155 1.00 0.00 C ATOM 1008 CZ PHE A 141 -4.325 -1.386 0.435 1.00 0.00 C ATOM 0 H PHE A 141 -3.692 3.422 -4.175 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.392 0.861 -3.801 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.547 2.381 -1.934 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -4.264 2.632 -2.176 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -1.697 0.291 -0.929 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -5.909 0.936 -1.483 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.189 -1.587 0.611 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.400 -0.941 0.062 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.538 -2.205 1.106 1.00 0.00 H new ATOM 1018 N VAL A 142 -5.570 0.938 -4.512 1.00 0.00 N ATOM 1019 CA VAL A 142 -6.734 0.065 -4.828 1.00 0.00 C ATOM 1020 C VAL A 142 -6.273 -1.080 -5.735 1.00 0.00 C ATOM 1021 O VAL A 142 -6.631 -2.224 -5.536 1.00 0.00 O ATOM 1022 CB VAL A 142 -7.811 0.894 -5.537 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -8.804 -0.034 -6.242 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -8.560 1.742 -4.506 1.00 0.00 C ATOM 0 H VAL A 142 -5.693 1.924 -4.742 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.149 -0.349 -3.909 1.00 0.00 H new ATOM 0 HB VAL A 142 -7.336 1.541 -6.274 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -9.566 0.562 -6.743 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -8.276 -0.641 -6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -9.278 -0.685 -5.508 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.326 2.332 -5.008 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.029 1.089 -3.770 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -7.859 2.409 -4.005 1.00 0.00 H new ATOM 1034 N GLN A 143 -5.481 -0.780 -6.727 1.00 0.00 N ATOM 1035 CA GLN A 143 -4.996 -1.850 -7.643 1.00 0.00 C ATOM 1036 C GLN A 143 -4.251 -2.918 -6.840 1.00 0.00 C ATOM 1037 O GLN A 143 -4.258 -4.084 -7.183 1.00 0.00 O ATOM 1038 CB GLN A 143 -4.050 -1.245 -8.674 1.00 0.00 C ATOM 1039 CG GLN A 143 -4.856 -0.730 -9.866 1.00 0.00 C ATOM 1040 CD GLN A 143 -4.658 -1.675 -11.051 1.00 0.00 C ATOM 1041 OE1 GLN A 143 -3.643 -1.631 -11.717 1.00 0.00 O ATOM 1042 NE2 GLN A 143 -5.591 -2.540 -11.343 1.00 0.00 N ATOM 0 H GLN A 143 -5.149 0.160 -6.943 1.00 0.00 H new ATOM 0 HA GLN A 143 -5.848 -2.305 -8.148 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -3.481 -0.430 -8.227 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -3.329 -1.993 -9.005 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -5.913 -0.669 -9.607 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -4.534 0.277 -10.131 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -6.444 -2.578 -10.785 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -5.467 -3.178 -12.129 1.00 0.00 H new ATOM 1051 N MET A 144 -3.607 -2.531 -5.773 1.00 0.00 N ATOM 1052 CA MET A 144 -2.863 -3.525 -4.951 1.00 0.00 C ATOM 1053 C MET A 144 -3.854 -4.340 -4.116 1.00 0.00 C ATOM 1054 O MET A 144 -3.703 -5.534 -3.946 1.00 0.00 O ATOM 1055 CB MET A 144 -1.892 -2.792 -4.021 1.00 0.00 C ATOM 1056 CG MET A 144 -1.018 -3.809 -3.285 1.00 0.00 C ATOM 1057 SD MET A 144 0.431 -2.974 -2.594 1.00 0.00 S ATOM 1058 CE MET A 144 -0.462 -1.740 -1.617 1.00 0.00 C ATOM 0 H MET A 144 -3.564 -1.569 -5.436 1.00 0.00 H new ATOM 0 HA MET A 144 -2.304 -4.194 -5.606 1.00 0.00 H new ATOM 0 HB2 MET A 144 -1.267 -2.110 -4.597 1.00 0.00 H new ATOM 0 HB3 MET A 144 -2.447 -2.188 -3.303 1.00 0.00 H new ATOM 0 HG2 MET A 144 -1.589 -4.287 -2.489 1.00 0.00 H new ATOM 0 HG3 MET A 144 -0.704 -4.597 -3.969 1.00 0.00 H new ATOM 0 HE1 MET A 144 0.134 -1.463 -0.748 1.00 0.00 H new ATOM 0 HE2 MET A 144 -0.646 -0.856 -2.228 1.00 0.00 H new ATOM 0 HE3 MET A 144 -1.413 -2.157 -1.287 1.00 0.00 H new ATOM 1068 N MET A 145 -4.865 -3.702 -3.593 1.00 0.00 N ATOM 1069 CA MET A 145 -5.865 -4.429 -2.768 1.00 0.00 C ATOM 1070 C MET A 145 -6.690 -5.355 -3.663 1.00 0.00 C ATOM 1071 O MET A 145 -7.298 -6.300 -3.202 1.00 0.00 O ATOM 1072 CB MET A 145 -6.788 -3.421 -2.081 1.00 0.00 C ATOM 1073 CG MET A 145 -7.215 -3.970 -0.718 1.00 0.00 C ATOM 1074 SD MET A 145 -8.558 -5.163 -0.939 1.00 0.00 S ATOM 1075 CE MET A 145 -8.137 -6.236 0.457 1.00 0.00 C ATOM 0 H MET A 145 -5.040 -2.703 -3.704 1.00 0.00 H new ATOM 0 HA MET A 145 -5.351 -5.023 -2.012 1.00 0.00 H new ATOM 0 HB2 MET A 145 -6.275 -2.467 -1.957 1.00 0.00 H new ATOM 0 HB3 MET A 145 -7.665 -3.233 -2.701 1.00 0.00 H new ATOM 0 HG2 MET A 145 -6.368 -4.447 -0.225 1.00 0.00 H new ATOM 0 HG3 MET A 145 -7.541 -3.155 -0.072 1.00 0.00 H new ATOM 0 HE1 MET A 145 -8.851 -7.058 0.512 1.00 0.00 H new ATOM 0 HE2 MET A 145 -7.133 -6.636 0.318 1.00 0.00 H new ATOM 0 HE3 MET A 145 -8.174 -5.661 1.382 1.00 0.00 H new ATOM 1085 N THR A 146 -6.711 -5.096 -4.942 1.00 0.00 N ATOM 1086 CA THR A 146 -7.491 -5.966 -5.863 1.00 0.00 C ATOM 1087 C THR A 146 -6.887 -5.898 -7.262 1.00 0.00 C ATOM 1088 O THR A 146 -7.195 -5.021 -8.047 1.00 0.00 O ATOM 1089 CB THR A 146 -8.942 -5.505 -5.923 1.00 0.00 C ATOM 1090 OG1 THR A 146 -8.986 -4.109 -6.182 1.00 0.00 O ATOM 1091 CG2 THR A 146 -9.637 -5.805 -4.593 1.00 0.00 C ATOM 0 H THR A 146 -6.222 -4.320 -5.387 1.00 0.00 H new ATOM 0 HA THR A 146 -7.456 -6.990 -5.492 1.00 0.00 H new ATOM 0 HB THR A 146 -9.456 -6.038 -6.723 1.00 0.00 H new ATOM 0 HG1 THR A 146 -8.395 -3.897 -6.934 1.00 0.00 H new ATOM 0 HG21 THR A 146 -10.674 -5.473 -4.642 1.00 0.00 H new ATOM 0 HG22 THR A 146 -9.608 -6.878 -4.401 1.00 0.00 H new ATOM 0 HG23 THR A 146 -9.125 -5.278 -3.788 1.00 0.00 H new