USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=8 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 109 MET CE :methyl 178:sc= 0 (180deg=-0.00638) USER MOD Set 1.2: A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 137 ASN : amide:sc= -9.74! C(o=-9.7!,f=-14!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.323 X(o=-0.32,f=-0.13) USER MOD Single : A 101 SER OG : rot 180:sc= -0.0759 USER MOD Single : A 107 HIS : no HE2:sc= -15.9! C(o=-16!,f=-20!) USER MOD Single : A 110 THR OG1 : rot -130:sc= -4.13! USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0116 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 1.06 K(o=1.1,f=-0.38) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.716 X(o=-0.72,f=-0.69) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 106 N GLU A 83 -15.659 -1.370 0.821 1.00 0.00 N ATOM 107 CA GLU A 83 -15.100 -0.671 2.006 1.00 0.00 C ATOM 108 C GLU A 83 -13.899 -1.454 2.541 1.00 0.00 C ATOM 109 O GLU A 83 -13.091 -0.937 3.288 1.00 0.00 O ATOM 110 CB GLU A 83 -16.173 -0.574 3.093 1.00 0.00 C ATOM 111 CG GLU A 83 -16.756 0.842 3.112 1.00 0.00 C ATOM 112 CD GLU A 83 -17.524 1.097 1.813 1.00 0.00 C ATOM 113 OE1 GLU A 83 -18.685 0.728 1.752 1.00 0.00 O ATOM 114 OE2 GLU A 83 -16.937 1.657 0.901 1.00 0.00 O ATOM 0 HA GLU A 83 -14.781 0.331 1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -16.963 -1.301 2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.743 -0.815 4.065 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -17.420 0.962 3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.956 1.574 3.224 1.00 0.00 H new ATOM 121 N GLU A 84 -13.778 -2.696 2.166 1.00 0.00 N ATOM 122 CA GLU A 84 -12.632 -3.516 2.651 1.00 0.00 C ATOM 123 C GLU A 84 -11.315 -2.886 2.191 1.00 0.00 C ATOM 124 O GLU A 84 -10.263 -3.161 2.732 1.00 0.00 O ATOM 125 CB GLU A 84 -12.746 -4.932 2.081 1.00 0.00 C ATOM 126 CG GLU A 84 -12.047 -5.921 3.017 1.00 0.00 C ATOM 127 CD GLU A 84 -11.639 -7.169 2.230 1.00 0.00 C ATOM 128 OE1 GLU A 84 -11.593 -7.090 1.013 1.00 0.00 O ATOM 129 OE2 GLU A 84 -11.379 -8.182 2.859 1.00 0.00 O ATOM 0 H GLU A 84 -14.424 -3.180 1.543 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.650 -3.556 3.740 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.795 -5.205 1.965 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.295 -4.973 1.090 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.168 -5.456 3.463 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.712 -6.196 3.835 1.00 0.00 H new ATOM 136 N ILE A 85 -11.362 -2.049 1.191 1.00 0.00 N ATOM 137 CA ILE A 85 -10.113 -1.413 0.694 1.00 0.00 C ATOM 138 C ILE A 85 -9.961 -0.015 1.296 1.00 0.00 C ATOM 139 O ILE A 85 -8.875 0.410 1.627 1.00 0.00 O ATOM 140 CB ILE A 85 -10.167 -1.306 -0.828 1.00 0.00 C ATOM 141 CG1 ILE A 85 -10.485 -2.675 -1.422 1.00 0.00 C ATOM 142 CG2 ILE A 85 -8.817 -0.823 -1.360 1.00 0.00 C ATOM 143 CD1 ILE A 85 -11.630 -2.541 -2.426 1.00 0.00 C ATOM 0 H ILE A 85 -12.213 -1.779 0.697 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.260 -2.024 0.990 1.00 0.00 H new ATOM 0 HB ILE A 85 -10.942 -0.594 -1.112 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.602 -3.084 -1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.761 -3.372 -0.630 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.860 -0.748 -2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.588 0.155 -0.937 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.039 -1.532 -1.076 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -11.858 -3.519 -2.851 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -12.513 -2.150 -1.921 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.337 -1.858 -3.223 1.00 0.00 H new ATOM 155 N ARG A 86 -11.038 0.707 1.439 1.00 0.00 N ATOM 156 CA ARG A 86 -10.943 2.076 2.017 1.00 0.00 C ATOM 157 C ARG A 86 -10.130 2.028 3.312 1.00 0.00 C ATOM 158 O ARG A 86 -9.439 2.967 3.657 1.00 0.00 O ATOM 159 CB ARG A 86 -12.349 2.596 2.318 1.00 0.00 C ATOM 160 CG ARG A 86 -12.485 4.034 1.814 1.00 0.00 C ATOM 161 CD ARG A 86 -13.962 4.353 1.572 1.00 0.00 C ATOM 162 NE ARG A 86 -14.149 5.831 1.534 1.00 0.00 N ATOM 163 CZ ARG A 86 -14.342 6.492 2.641 1.00 0.00 C ATOM 164 NH1 ARG A 86 -15.406 6.261 3.362 1.00 0.00 N ATOM 165 NH2 ARG A 86 -13.473 7.384 3.028 1.00 0.00 N ATOM 0 H ARG A 86 -11.978 0.408 1.181 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.452 2.739 1.305 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.093 1.960 1.838 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.540 2.557 3.390 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.067 4.727 2.544 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.918 4.162 0.892 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.292 3.909 0.633 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.574 3.918 2.362 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.126 6.325 0.642 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -16.086 5.564 3.059 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.557 6.778 4.228 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.642 7.565 2.465 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.624 7.901 3.894 1.00 0.00 H new ATOM 179 N GLU A 87 -10.207 0.944 4.033 1.00 0.00 N ATOM 180 CA GLU A 87 -9.437 0.841 5.305 1.00 0.00 C ATOM 181 C GLU A 87 -8.067 0.225 5.030 1.00 0.00 C ATOM 182 O GLU A 87 -7.053 0.790 5.379 1.00 0.00 O ATOM 183 CB GLU A 87 -10.200 -0.034 6.301 1.00 0.00 C ATOM 184 CG GLU A 87 -11.651 0.444 6.393 1.00 0.00 C ATOM 185 CD GLU A 87 -12.562 -0.752 6.680 1.00 0.00 C ATOM 186 OE1 GLU A 87 -12.588 -1.193 7.817 1.00 0.00 O ATOM 187 OE2 GLU A 87 -13.218 -1.206 5.757 1.00 0.00 O ATOM 0 H GLU A 87 -10.769 0.126 3.797 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.307 1.838 5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.169 -1.076 5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.727 0.015 7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.751 1.189 7.182 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.947 0.925 5.461 1.00 0.00 H new ATOM 194 N ALA A 88 -8.022 -0.922 4.405 1.00 0.00 N ATOM 195 CA ALA A 88 -6.703 -1.552 4.113 1.00 0.00 C ATOM 196 C ALA A 88 -5.750 -0.479 3.593 1.00 0.00 C ATOM 197 O ALA A 88 -4.547 -0.573 3.742 1.00 0.00 O ATOM 198 CB ALA A 88 -6.878 -2.643 3.052 1.00 0.00 C ATOM 0 H ALA A 88 -8.837 -1.446 4.086 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.297 -2.000 5.020 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.913 -3.102 2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.568 -3.402 3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.278 -2.202 2.139 1.00 0.00 H new ATOM 204 N PHE A 89 -6.282 0.548 2.991 1.00 0.00 N ATOM 205 CA PHE A 89 -5.420 1.634 2.472 1.00 0.00 C ATOM 206 C PHE A 89 -4.682 2.283 3.633 1.00 0.00 C ATOM 207 O PHE A 89 -3.471 2.330 3.663 1.00 0.00 O ATOM 208 CB PHE A 89 -6.276 2.691 1.777 1.00 0.00 C ATOM 209 CG PHE A 89 -5.392 3.858 1.428 1.00 0.00 C ATOM 210 CD1 PHE A 89 -4.447 3.722 0.410 1.00 0.00 C ATOM 211 CD2 PHE A 89 -5.502 5.064 2.128 1.00 0.00 C ATOM 212 CE1 PHE A 89 -3.609 4.790 0.082 1.00 0.00 C ATOM 213 CE2 PHE A 89 -4.664 6.139 1.801 1.00 0.00 C ATOM 214 CZ PHE A 89 -3.716 6.001 0.777 1.00 0.00 C ATOM 0 H PHE A 89 -7.282 0.678 2.838 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.709 1.217 1.759 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.733 2.278 0.878 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.088 3.011 2.429 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.364 2.788 -0.126 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.231 5.167 2.918 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.879 4.682 -0.707 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.748 7.073 2.337 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.069 6.828 0.525 1.00 0.00 H new ATOM 224 N ARG A 90 -5.409 2.789 4.584 1.00 0.00 N ATOM 225 CA ARG A 90 -4.762 3.445 5.749 1.00 0.00 C ATOM 226 C ARG A 90 -3.868 2.436 6.467 1.00 0.00 C ATOM 227 O ARG A 90 -2.799 2.770 6.938 1.00 0.00 O ATOM 228 CB ARG A 90 -5.843 3.949 6.702 1.00 0.00 C ATOM 229 CG ARG A 90 -5.752 5.471 6.810 1.00 0.00 C ATOM 230 CD ARG A 90 -6.999 6.036 7.505 1.00 0.00 C ATOM 231 NE ARG A 90 -7.824 4.933 8.079 1.00 0.00 N ATOM 232 CZ ARG A 90 -9.126 5.028 8.081 1.00 0.00 C ATOM 233 NH1 ARG A 90 -9.790 4.939 6.962 1.00 0.00 N ATOM 234 NH2 ARG A 90 -9.762 5.218 9.205 1.00 0.00 N ATOM 0 H ARG A 90 -6.429 2.777 4.605 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.155 4.285 5.412 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.829 3.657 6.339 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.718 3.495 7.685 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.859 5.749 7.370 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.654 5.907 5.816 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.701 6.724 8.296 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.592 6.608 6.791 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.371 4.106 8.469 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.292 4.795 6.084 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.807 5.013 6.965 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.242 5.292 10.079 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.779 5.293 9.209 1.00 0.00 H new ATOM 248 N VAL A 91 -4.294 1.203 6.546 1.00 0.00 N ATOM 249 CA VAL A 91 -3.463 0.168 7.222 1.00 0.00 C ATOM 250 C VAL A 91 -2.010 0.354 6.789 1.00 0.00 C ATOM 251 O VAL A 91 -1.086 0.130 7.547 1.00 0.00 O ATOM 252 CB VAL A 91 -3.954 -1.220 6.811 1.00 0.00 C ATOM 253 CG1 VAL A 91 -3.121 -2.288 7.520 1.00 0.00 C ATOM 254 CG2 VAL A 91 -5.424 -1.376 7.207 1.00 0.00 C ATOM 0 H VAL A 91 -5.182 0.869 6.171 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.541 0.266 8.305 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.851 -1.337 5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.472 -3.277 7.226 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.073 -2.177 7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.223 -2.172 8.599 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.777 -2.365 6.915 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.525 -1.259 8.286 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.019 -0.615 6.703 1.00 0.00 H new ATOM 264 N PHE A 92 -1.808 0.789 5.576 1.00 0.00 N ATOM 265 CA PHE A 92 -0.426 1.023 5.080 1.00 0.00 C ATOM 266 C PHE A 92 -0.094 2.504 5.266 1.00 0.00 C ATOM 267 O PHE A 92 1.024 2.870 5.562 1.00 0.00 O ATOM 268 CB PHE A 92 -0.345 0.663 3.595 1.00 0.00 C ATOM 269 CG PHE A 92 -0.278 -0.840 3.441 1.00 0.00 C ATOM 270 CD1 PHE A 92 -1.458 -1.591 3.389 1.00 0.00 C ATOM 271 CD2 PHE A 92 0.964 -1.480 3.352 1.00 0.00 C ATOM 272 CE1 PHE A 92 -1.397 -2.982 3.248 1.00 0.00 C ATOM 273 CE2 PHE A 92 1.025 -2.872 3.210 1.00 0.00 C ATOM 274 CZ PHE A 92 -0.155 -3.623 3.158 1.00 0.00 C ATOM 0 H PHE A 92 -2.547 0.993 4.904 1.00 0.00 H new ATOM 0 HA PHE A 92 0.282 0.405 5.633 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.215 1.054 3.067 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.534 1.124 3.146 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.416 -1.097 3.458 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.875 -0.901 3.393 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.308 -3.561 3.209 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.983 -3.366 3.141 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.108 -4.696 3.049 1.00 0.00 H new ATOM 284 N ASP A 93 -1.070 3.354 5.100 1.00 0.00 N ATOM 285 CA ASP A 93 -0.844 4.813 5.269 1.00 0.00 C ATOM 286 C ASP A 93 -1.130 5.192 6.724 1.00 0.00 C ATOM 287 O ASP A 93 -2.239 5.535 7.081 1.00 0.00 O ATOM 288 CB ASP A 93 -1.795 5.569 4.341 1.00 0.00 C ATOM 289 CG ASP A 93 -1.341 7.025 4.219 1.00 0.00 C ATOM 290 OD1 ASP A 93 -0.146 7.260 4.283 1.00 0.00 O ATOM 291 OD2 ASP A 93 -2.197 7.881 4.063 1.00 0.00 O ATOM 0 H ASP A 93 -2.025 3.094 4.852 1.00 0.00 H new ATOM 0 HA ASP A 93 0.186 5.070 5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.811 5.099 3.358 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.812 5.526 4.732 1.00 0.00 H new ATOM 296 N LYS A 94 -0.139 5.116 7.569 1.00 0.00 N ATOM 297 CA LYS A 94 -0.348 5.453 9.002 1.00 0.00 C ATOM 298 C LYS A 94 -0.391 6.966 9.187 1.00 0.00 C ATOM 299 O LYS A 94 -0.919 7.467 10.161 1.00 0.00 O ATOM 300 CB LYS A 94 0.802 4.869 9.813 1.00 0.00 C ATOM 301 CG LYS A 94 0.921 3.371 9.525 1.00 0.00 C ATOM 302 CD LYS A 94 0.406 2.572 10.725 1.00 0.00 C ATOM 303 CE LYS A 94 -0.500 1.442 10.232 1.00 0.00 C ATOM 304 NZ LYS A 94 -0.811 0.522 11.363 1.00 0.00 N ATOM 0 H LYS A 94 0.810 4.833 7.326 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.296 5.035 9.341 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.734 5.374 9.558 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.631 5.033 10.877 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.348 3.116 8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.960 3.111 9.322 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.244 2.162 11.289 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.145 3.225 11.402 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.422 1.854 9.821 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.010 0.893 9.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.427 -0.246 11.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.072 0.119 11.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.296 1.050 12.117 1.00 0.00 H new ATOM 318 N ASP A 95 0.152 7.700 8.266 1.00 0.00 N ATOM 319 CA ASP A 95 0.132 9.182 8.398 1.00 0.00 C ATOM 320 C ASP A 95 -1.254 9.702 8.007 1.00 0.00 C ATOM 321 O ASP A 95 -1.507 10.890 8.044 1.00 0.00 O ATOM 322 CB ASP A 95 1.188 9.794 7.476 1.00 0.00 C ATOM 323 CG ASP A 95 2.569 9.246 7.843 1.00 0.00 C ATOM 324 OD1 ASP A 95 2.755 8.887 8.993 1.00 0.00 O ATOM 325 OD2 ASP A 95 3.415 9.193 6.967 1.00 0.00 O ATOM 0 H ASP A 95 0.609 7.342 7.427 1.00 0.00 H new ATOM 0 HA ASP A 95 0.351 9.461 9.429 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.957 9.560 6.437 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.180 10.880 7.568 1.00 0.00 H new ATOM 330 N GLY A 96 -2.152 8.815 7.648 1.00 0.00 N ATOM 331 CA GLY A 96 -3.534 9.241 7.263 1.00 0.00 C ATOM 332 C GLY A 96 -3.489 10.582 6.527 1.00 0.00 C ATOM 333 O GLY A 96 -4.216 11.501 6.849 1.00 0.00 O ATOM 0 H GLY A 96 -1.985 7.810 7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.991 8.484 6.626 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -4.157 9.327 8.153 1.00 0.00 H new ATOM 337 N ASN A 97 -2.639 10.708 5.546 1.00 0.00 N ATOM 338 CA ASN A 97 -2.549 11.996 4.801 1.00 0.00 C ATOM 339 C ASN A 97 -3.178 11.834 3.413 1.00 0.00 C ATOM 340 O ASN A 97 -3.590 12.795 2.793 1.00 0.00 O ATOM 341 CB ASN A 97 -1.076 12.398 4.660 1.00 0.00 C ATOM 342 CG ASN A 97 -0.932 13.481 3.587 1.00 0.00 C ATOM 343 OD1 ASN A 97 -1.077 14.654 3.867 1.00 0.00 O ATOM 344 ND2 ASN A 97 -0.648 13.132 2.363 1.00 0.00 N ATOM 0 H ASN A 97 -2.003 9.976 5.228 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.086 12.772 5.347 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.698 12.766 5.614 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.476 11.528 4.394 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.547 13.844 1.640 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.526 12.147 2.129 1.00 0.00 H new ATOM 351 N GLY A 98 -3.254 10.628 2.918 1.00 0.00 N ATOM 352 CA GLY A 98 -3.852 10.412 1.570 1.00 0.00 C ATOM 353 C GLY A 98 -2.857 9.653 0.691 1.00 0.00 C ATOM 354 O GLY A 98 -3.233 8.933 -0.213 1.00 0.00 O ATOM 0 H GLY A 98 -2.928 9.784 3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.781 9.848 1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.102 11.369 1.113 1.00 0.00 H new ATOM 358 N TYR A 99 -1.589 9.808 0.954 1.00 0.00 N ATOM 359 CA TYR A 99 -0.562 9.099 0.147 1.00 0.00 C ATOM 360 C TYR A 99 0.285 8.224 1.076 1.00 0.00 C ATOM 361 O TYR A 99 0.545 8.578 2.208 1.00 0.00 O ATOM 362 CB TYR A 99 0.344 10.117 -0.542 1.00 0.00 C ATOM 363 CG TYR A 99 -0.049 10.283 -1.994 1.00 0.00 C ATOM 364 CD1 TYR A 99 -1.373 10.580 -2.344 1.00 0.00 C ATOM 365 CD2 TYR A 99 0.925 10.158 -2.991 1.00 0.00 C ATOM 366 CE1 TYR A 99 -1.718 10.752 -3.689 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.577 10.324 -4.335 1.00 0.00 C ATOM 368 CZ TYR A 99 -0.744 10.622 -4.685 1.00 0.00 C ATOM 369 OH TYR A 99 -1.086 10.791 -6.011 1.00 0.00 O ATOM 0 H TYR A 99 -1.220 10.400 1.698 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.053 8.482 -0.606 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.277 11.077 -0.030 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.382 9.792 -0.476 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.126 10.676 -1.576 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.947 9.933 -2.722 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.737 10.985 -3.959 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.329 10.222 -5.104 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.292 10.667 -6.572 1.00 0.00 H new ATOM 379 N ILE A 100 0.718 7.088 0.607 1.00 0.00 N ATOM 380 CA ILE A 100 1.548 6.196 1.458 1.00 0.00 C ATOM 381 C ILE A 100 3.028 6.439 1.155 1.00 0.00 C ATOM 382 O ILE A 100 3.432 6.515 0.012 1.00 0.00 O ATOM 383 CB ILE A 100 1.190 4.742 1.151 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.196 4.435 1.740 1.00 0.00 C ATOM 385 CG2 ILE A 100 2.236 3.816 1.782 1.00 0.00 C ATOM 386 CD1 ILE A 100 -0.783 3.177 1.093 1.00 0.00 C ATOM 0 H ILE A 100 0.531 6.739 -0.333 1.00 0.00 H new ATOM 0 HA ILE A 100 1.359 6.404 2.511 1.00 0.00 H new ATOM 0 HB ILE A 100 1.174 4.582 0.073 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.117 4.295 2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.863 5.281 1.577 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.982 2.779 1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.219 4.043 1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.251 3.967 2.861 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.765 2.972 1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.880 3.332 0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.123 2.330 1.279 1.00 0.00 H new ATOM 398 N SER A 101 3.838 6.566 2.170 1.00 0.00 N ATOM 399 CA SER A 101 5.290 6.809 1.941 1.00 0.00 C ATOM 400 C SER A 101 6.044 5.478 1.991 1.00 0.00 C ATOM 401 O SER A 101 5.496 4.456 2.354 1.00 0.00 O ATOM 402 CB SER A 101 5.825 7.750 3.026 1.00 0.00 C ATOM 403 OG SER A 101 6.880 7.113 3.738 1.00 0.00 O ATOM 0 H SER A 101 3.557 6.512 3.149 1.00 0.00 H new ATOM 0 HA SER A 101 5.435 7.267 0.963 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.185 8.674 2.574 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.023 8.022 3.712 1.00 0.00 H new ATOM 0 HG SER A 101 7.220 7.718 4.430 1.00 0.00 H new ATOM 409 N ALA A 102 7.298 5.483 1.631 1.00 0.00 N ATOM 410 CA ALA A 102 8.086 4.218 1.660 1.00 0.00 C ATOM 411 C ALA A 102 8.147 3.694 3.095 1.00 0.00 C ATOM 412 O ALA A 102 7.951 2.522 3.349 1.00 0.00 O ATOM 413 CB ALA A 102 9.504 4.489 1.152 1.00 0.00 C ATOM 0 H ALA A 102 7.811 6.307 1.318 1.00 0.00 H new ATOM 0 HA ALA A 102 7.609 3.475 1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.081 3.564 1.173 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.459 4.865 0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.984 5.231 1.791 1.00 0.00 H new ATOM 419 N ALA A 103 8.417 4.556 4.034 1.00 0.00 N ATOM 420 CA ALA A 103 8.494 4.115 5.452 1.00 0.00 C ATOM 421 C ALA A 103 7.148 3.540 5.886 1.00 0.00 C ATOM 422 O ALA A 103 7.090 2.594 6.644 1.00 0.00 O ATOM 423 CB ALA A 103 8.851 5.307 6.341 1.00 0.00 C ATOM 0 H ALA A 103 8.588 5.550 3.879 1.00 0.00 H new ATOM 0 HA ALA A 103 9.262 3.348 5.549 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.907 4.982 7.380 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.815 5.713 6.035 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.085 6.077 6.242 1.00 0.00 H new ATOM 429 N GLU A 104 6.066 4.091 5.410 1.00 0.00 N ATOM 430 CA GLU A 104 4.735 3.556 5.800 1.00 0.00 C ATOM 431 C GLU A 104 4.537 2.205 5.117 1.00 0.00 C ATOM 432 O GLU A 104 3.756 1.381 5.552 1.00 0.00 O ATOM 433 CB GLU A 104 3.647 4.531 5.353 1.00 0.00 C ATOM 434 CG GLU A 104 3.829 5.864 6.079 1.00 0.00 C ATOM 435 CD GLU A 104 3.532 5.677 7.567 1.00 0.00 C ATOM 436 OE1 GLU A 104 3.136 4.584 7.938 1.00 0.00 O ATOM 437 OE2 GLU A 104 3.705 6.628 8.311 1.00 0.00 O ATOM 0 H GLU A 104 6.047 4.885 4.770 1.00 0.00 H new ATOM 0 HA GLU A 104 4.677 3.434 6.882 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.699 4.682 4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.662 4.118 5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.847 6.228 5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.162 6.615 5.656 1.00 0.00 H new ATOM 444 N LEU A 105 5.253 1.972 4.053 1.00 0.00 N ATOM 445 CA LEU A 105 5.128 0.674 3.337 1.00 0.00 C ATOM 446 C LEU A 105 6.285 -0.241 3.747 1.00 0.00 C ATOM 447 O LEU A 105 6.443 -1.325 3.224 1.00 0.00 O ATOM 448 CB LEU A 105 5.178 0.921 1.827 1.00 0.00 C ATOM 449 CG LEU A 105 4.600 -0.287 1.093 1.00 0.00 C ATOM 450 CD1 LEU A 105 3.139 -0.013 0.729 1.00 0.00 C ATOM 451 CD2 LEU A 105 5.403 -0.542 -0.184 1.00 0.00 C ATOM 0 H LEU A 105 5.921 2.627 3.648 1.00 0.00 H new ATOM 0 HA LEU A 105 4.181 0.200 3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.612 1.818 1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.206 1.094 1.510 1.00 0.00 H new ATOM 0 HG LEU A 105 4.656 -1.163 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.727 -0.875 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.565 0.168 1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.083 0.864 0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.990 -1.404 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.348 0.335 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.444 -0.738 0.074 1.00 0.00 H new ATOM 463 N ARG A 106 7.102 0.188 4.674 1.00 0.00 N ATOM 464 CA ARG A 106 8.249 -0.660 5.106 1.00 0.00 C ATOM 465 C ARG A 106 7.877 -1.438 6.376 1.00 0.00 C ATOM 466 O ARG A 106 8.374 -2.520 6.618 1.00 0.00 O ATOM 467 CB ARG A 106 9.456 0.243 5.393 1.00 0.00 C ATOM 468 CG ARG A 106 10.507 -0.526 6.199 1.00 0.00 C ATOM 469 CD ARG A 106 11.619 0.431 6.638 1.00 0.00 C ATOM 470 NE ARG A 106 12.321 -0.137 7.823 1.00 0.00 N ATOM 471 CZ ARG A 106 12.365 0.536 8.941 1.00 0.00 C ATOM 472 NH1 ARG A 106 12.978 1.686 8.988 1.00 0.00 N ATOM 473 NH2 ARG A 106 11.795 0.056 10.012 1.00 0.00 N ATOM 0 H ARG A 106 7.023 1.087 5.149 1.00 0.00 H new ATOM 0 HA ARG A 106 8.495 -1.370 4.316 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.889 0.593 4.456 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.136 1.126 5.946 1.00 0.00 H new ATOM 0 HG2 ARG A 106 10.045 -0.987 7.072 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.924 -1.332 5.596 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.325 0.584 5.822 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.199 1.406 6.883 1.00 0.00 H new ATOM 0 HE ARG A 106 12.767 -1.052 7.761 1.00 0.00 H new ATOM 0 HH11 ARG A 106 13.424 2.061 8.151 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.012 2.211 9.862 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.316 -0.844 9.975 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.828 0.580 10.886 1.00 0.00 H new ATOM 487 N HIS A 107 7.035 -0.880 7.202 1.00 0.00 N ATOM 488 CA HIS A 107 6.663 -1.567 8.473 1.00 0.00 C ATOM 489 C HIS A 107 5.470 -2.511 8.282 1.00 0.00 C ATOM 490 O HIS A 107 5.522 -3.667 8.651 1.00 0.00 O ATOM 491 CB HIS A 107 6.316 -0.508 9.522 1.00 0.00 C ATOM 492 CG HIS A 107 5.028 0.197 9.181 1.00 0.00 C ATOM 493 ND1 HIS A 107 4.937 1.126 8.157 1.00 0.00 N ATOM 494 CD2 HIS A 107 3.772 0.124 9.728 1.00 0.00 C ATOM 495 CE1 HIS A 107 3.666 1.566 8.118 1.00 0.00 C ATOM 496 NE2 HIS A 107 2.914 0.987 9.056 1.00 0.00 N ATOM 0 H HIS A 107 6.587 0.024 7.052 1.00 0.00 H new ATOM 0 HA HIS A 107 7.511 -2.169 8.800 1.00 0.00 H new ATOM 0 HB2 HIS A 107 6.228 -0.978 10.501 1.00 0.00 H new ATOM 0 HB3 HIS A 107 7.125 0.220 9.589 1.00 0.00 H new ATOM 0 HD1 HIS A 107 5.696 1.423 7.544 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.492 -0.509 10.557 1.00 0.00 H new ATOM 0 HE1 HIS A 107 3.299 2.298 7.414 1.00 0.00 H new ATOM 504 N VAL A 108 4.393 -2.025 7.746 1.00 0.00 N ATOM 505 CA VAL A 108 3.186 -2.889 7.569 1.00 0.00 C ATOM 506 C VAL A 108 3.437 -3.972 6.516 1.00 0.00 C ATOM 507 O VAL A 108 3.232 -5.144 6.762 1.00 0.00 O ATOM 508 CB VAL A 108 1.996 -2.018 7.145 1.00 0.00 C ATOM 509 CG1 VAL A 108 0.892 -2.894 6.545 1.00 0.00 C ATOM 510 CG2 VAL A 108 1.442 -1.288 8.370 1.00 0.00 C ATOM 0 H VAL A 108 4.289 -1.064 7.419 1.00 0.00 H new ATOM 0 HA VAL A 108 2.966 -3.380 8.517 1.00 0.00 H new ATOM 0 HB VAL A 108 2.331 -1.297 6.399 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.052 -2.267 6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.279 -3.421 5.673 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.559 -3.619 7.288 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.596 -0.668 8.072 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.114 -2.017 9.111 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.220 -0.658 8.801 1.00 0.00 H new ATOM 520 N MET A 109 3.848 -3.583 5.345 1.00 0.00 N ATOM 521 CA MET A 109 4.090 -4.574 4.249 1.00 0.00 C ATOM 522 C MET A 109 4.661 -5.878 4.812 1.00 0.00 C ATOM 523 O MET A 109 4.237 -6.957 4.449 1.00 0.00 O ATOM 524 CB MET A 109 5.079 -3.989 3.243 1.00 0.00 C ATOM 525 CG MET A 109 4.317 -3.477 2.019 1.00 0.00 C ATOM 526 SD MET A 109 3.426 -4.846 1.242 1.00 0.00 S ATOM 527 CE MET A 109 2.731 -3.909 -0.142 1.00 0.00 C ATOM 0 H MET A 109 4.030 -2.612 5.092 1.00 0.00 H new ATOM 0 HA MET A 109 3.139 -4.788 3.761 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.642 -3.176 3.701 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.802 -4.748 2.944 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.617 -2.696 2.315 1.00 0.00 H new ATOM 0 HG3 MET A 109 5.011 -3.031 1.307 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.160 -4.579 -0.785 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.075 -3.127 0.241 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.539 -3.455 -0.716 1.00 0.00 H new ATOM 537 N THR A 110 5.622 -5.795 5.687 1.00 0.00 N ATOM 538 CA THR A 110 6.215 -7.039 6.254 1.00 0.00 C ATOM 539 C THR A 110 5.437 -7.469 7.499 1.00 0.00 C ATOM 540 O THR A 110 5.290 -8.642 7.771 1.00 0.00 O ATOM 541 CB THR A 110 7.671 -6.783 6.633 1.00 0.00 C ATOM 542 OG1 THR A 110 8.120 -7.815 7.499 1.00 0.00 O ATOM 543 CG2 THR A 110 7.778 -5.436 7.340 1.00 0.00 C ATOM 0 H THR A 110 6.022 -4.923 6.034 1.00 0.00 H new ATOM 0 HA THR A 110 6.163 -7.830 5.506 1.00 0.00 H new ATOM 0 HB THR A 110 8.289 -6.771 5.735 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.547 -7.418 8.287 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.817 -5.250 7.612 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.430 -4.647 6.674 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.163 -5.448 8.240 1.00 0.00 H new ATOM 551 N ASN A 111 4.928 -6.531 8.249 1.00 0.00 N ATOM 552 CA ASN A 111 4.160 -6.881 9.471 1.00 0.00 C ATOM 553 C ASN A 111 4.852 -8.030 10.209 1.00 0.00 C ATOM 554 O ASN A 111 4.242 -9.026 10.545 1.00 0.00 O ATOM 555 CB ASN A 111 2.759 -7.295 9.056 1.00 0.00 C ATOM 556 CG ASN A 111 1.729 -6.460 9.819 1.00 0.00 C ATOM 557 OD1 ASN A 111 1.616 -6.563 11.023 1.00 0.00 O ATOM 558 ND2 ASN A 111 0.967 -5.630 9.160 1.00 0.00 N ATOM 0 H ASN A 111 5.013 -5.531 8.064 1.00 0.00 H new ATOM 0 HA ASN A 111 4.109 -6.022 10.141 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.631 -7.156 7.982 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.607 -8.355 9.261 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.276 -5.068 9.657 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.062 -5.544 8.148 1.00 0.00 H new ATOM 565 N LEU A 112 6.124 -7.893 10.468 1.00 0.00 N ATOM 566 CA LEU A 112 6.867 -8.966 11.193 1.00 0.00 C ATOM 567 C LEU A 112 6.730 -10.294 10.450 1.00 0.00 C ATOM 568 O LEU A 112 6.557 -11.337 11.050 1.00 0.00 O ATOM 569 CB LEU A 112 6.302 -9.128 12.601 1.00 0.00 C ATOM 570 CG LEU A 112 5.718 -7.799 13.090 1.00 0.00 C ATOM 571 CD1 LEU A 112 5.245 -7.951 14.537 1.00 0.00 C ATOM 572 CD2 LEU A 112 6.795 -6.712 13.019 1.00 0.00 C ATOM 0 H LEU A 112 6.684 -7.081 10.208 1.00 0.00 H new ATOM 0 HA LEU A 112 7.919 -8.684 11.247 1.00 0.00 H new ATOM 0 HB2 LEU A 112 5.530 -9.897 12.605 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.087 -9.461 13.280 1.00 0.00 H new ATOM 0 HG LEU A 112 4.875 -7.519 12.459 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.829 -7.005 14.885 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.480 -8.725 14.590 1.00 0.00 H new ATOM 0 HD13 LEU A 112 6.089 -8.231 15.168 1.00 0.00 H new ATOM 0 HD21 LEU A 112 6.380 -5.766 13.367 1.00 0.00 H new ATOM 0 HD22 LEU A 112 7.638 -6.993 13.651 1.00 0.00 H new ATOM 0 HD23 LEU A 112 7.134 -6.603 11.989 1.00 0.00 H new ATOM 584 N GLY A 113 6.813 -10.268 9.153 1.00 0.00 N ATOM 585 CA GLY A 113 6.696 -11.531 8.369 1.00 0.00 C ATOM 586 C GLY A 113 7.679 -11.490 7.198 1.00 0.00 C ATOM 587 O GLY A 113 7.664 -12.347 6.337 1.00 0.00 O ATOM 0 H GLY A 113 6.957 -9.425 8.597 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.907 -12.390 9.007 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.677 -11.651 8.000 1.00 0.00 H new ATOM 591 N GLU A 114 8.534 -10.497 7.168 1.00 0.00 N ATOM 592 CA GLU A 114 9.532 -10.372 6.062 1.00 0.00 C ATOM 593 C GLU A 114 9.939 -8.904 5.922 1.00 0.00 C ATOM 594 O GLU A 114 9.796 -8.306 4.874 1.00 0.00 O ATOM 595 CB GLU A 114 8.930 -10.852 4.736 1.00 0.00 C ATOM 596 CG GLU A 114 7.502 -10.319 4.589 1.00 0.00 C ATOM 597 CD GLU A 114 6.584 -11.448 4.117 1.00 0.00 C ATOM 598 OE1 GLU A 114 6.668 -11.804 2.952 1.00 0.00 O ATOM 599 OE2 GLU A 114 5.814 -11.938 4.926 1.00 0.00 O ATOM 0 H GLU A 114 8.583 -9.760 7.871 1.00 0.00 H new ATOM 0 HA GLU A 114 10.400 -10.987 6.299 1.00 0.00 H new ATOM 0 HB2 GLU A 114 9.543 -10.509 3.903 1.00 0.00 H new ATOM 0 HB3 GLU A 114 8.926 -11.941 4.701 1.00 0.00 H new ATOM 0 HG2 GLU A 114 7.150 -9.923 5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 114 7.481 -9.496 3.875 1.00 0.00 H new ATOM 606 N LYS A 115 10.434 -8.317 6.976 1.00 0.00 N ATOM 607 CA LYS A 115 10.840 -6.886 6.918 1.00 0.00 C ATOM 608 C LYS A 115 11.669 -6.619 5.658 1.00 0.00 C ATOM 609 O LYS A 115 12.860 -6.859 5.628 1.00 0.00 O ATOM 610 CB LYS A 115 11.677 -6.555 8.155 1.00 0.00 C ATOM 611 CG LYS A 115 12.732 -7.645 8.364 1.00 0.00 C ATOM 612 CD LYS A 115 13.843 -7.114 9.270 1.00 0.00 C ATOM 613 CE LYS A 115 13.509 -7.433 10.728 1.00 0.00 C ATOM 614 NZ LYS A 115 14.758 -7.797 11.455 1.00 0.00 N ATOM 0 H LYS A 115 10.575 -8.770 7.879 1.00 0.00 H new ATOM 0 HA LYS A 115 9.947 -6.261 6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.160 -5.586 8.032 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.035 -6.482 9.033 1.00 0.00 H new ATOM 0 HG2 LYS A 115 12.274 -8.528 8.811 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.147 -7.953 7.404 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.797 -7.566 8.997 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.951 -6.037 9.138 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.038 -6.572 11.201 1.00 0.00 H new ATOM 0 HE3 LYS A 115 12.794 -8.254 10.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.532 -8.014 12.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.190 -8.631 11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.426 -7.000 11.419 1.00 0.00 H new ATOM 628 N LEU A 116 11.055 -6.110 4.621 1.00 0.00 N ATOM 629 CA LEU A 116 11.819 -5.817 3.379 1.00 0.00 C ATOM 630 C LEU A 116 12.740 -4.623 3.637 1.00 0.00 C ATOM 631 O LEU A 116 12.504 -3.830 4.527 1.00 0.00 O ATOM 632 CB LEU A 116 10.853 -5.502 2.226 1.00 0.00 C ATOM 633 CG LEU A 116 9.702 -4.612 2.709 1.00 0.00 C ATOM 634 CD1 LEU A 116 9.298 -3.650 1.588 1.00 0.00 C ATOM 635 CD2 LEU A 116 8.497 -5.485 3.072 1.00 0.00 C ATOM 0 H LEU A 116 10.061 -5.886 4.584 1.00 0.00 H new ATOM 0 HA LEU A 116 12.415 -6.686 3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.391 -5.003 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.454 -6.430 1.816 1.00 0.00 H new ATOM 0 HG LEU A 116 10.026 -4.048 3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 116 8.480 -3.016 1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.151 -3.027 1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.976 -4.221 0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 116 7.679 -4.852 3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.177 -6.047 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.776 -6.179 3.865 1.00 0.00 H new ATOM 647 N THR A 117 13.793 -4.492 2.879 1.00 0.00 N ATOM 648 CA THR A 117 14.727 -3.351 3.098 1.00 0.00 C ATOM 649 C THR A 117 14.175 -2.100 2.410 1.00 0.00 C ATOM 650 O THR A 117 13.082 -2.106 1.883 1.00 0.00 O ATOM 651 CB THR A 117 16.109 -3.709 2.535 1.00 0.00 C ATOM 652 OG1 THR A 117 17.098 -2.914 3.172 1.00 0.00 O ATOM 653 CG2 THR A 117 16.143 -3.456 1.030 1.00 0.00 C ATOM 0 H THR A 117 14.047 -5.123 2.119 1.00 0.00 H new ATOM 0 HA THR A 117 14.823 -3.150 4.165 1.00 0.00 H new ATOM 0 HB THR A 117 16.309 -4.764 2.722 1.00 0.00 H new ATOM 0 HG1 THR A 117 17.981 -3.143 2.815 1.00 0.00 H new ATOM 0 HG21 THR A 117 17.128 -3.713 0.640 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.387 -4.070 0.541 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.938 -2.404 0.833 1.00 0.00 H new ATOM 661 N ASP A 118 14.920 -1.028 2.412 1.00 0.00 N ATOM 662 CA ASP A 118 14.431 0.215 1.755 1.00 0.00 C ATOM 663 C ASP A 118 14.514 0.050 0.237 1.00 0.00 C ATOM 664 O ASP A 118 13.528 0.164 -0.463 1.00 0.00 O ATOM 665 CB ASP A 118 15.291 1.398 2.192 1.00 0.00 C ATOM 666 CG ASP A 118 14.690 2.031 3.450 1.00 0.00 C ATOM 667 OD1 ASP A 118 13.685 2.711 3.323 1.00 0.00 O ATOM 668 OD2 ASP A 118 15.244 1.823 4.516 1.00 0.00 O ATOM 0 H ASP A 118 15.844 -0.960 2.839 1.00 0.00 H new ATOM 0 HA ASP A 118 13.396 0.399 2.045 1.00 0.00 H new ATOM 0 HB2 ASP A 118 16.310 1.066 2.391 1.00 0.00 H new ATOM 0 HB3 ASP A 118 15.346 2.136 1.392 1.00 0.00 H new ATOM 673 N GLU A 119 15.682 -0.224 -0.279 1.00 0.00 N ATOM 674 CA GLU A 119 15.816 -0.403 -1.752 1.00 0.00 C ATOM 675 C GLU A 119 14.773 -1.413 -2.224 1.00 0.00 C ATOM 676 O GLU A 119 14.363 -1.415 -3.368 1.00 0.00 O ATOM 677 CB GLU A 119 17.219 -0.916 -2.082 1.00 0.00 C ATOM 678 CG GLU A 119 18.130 0.270 -2.409 1.00 0.00 C ATOM 679 CD GLU A 119 18.694 0.856 -1.114 1.00 0.00 C ATOM 680 OE1 GLU A 119 17.915 1.382 -0.336 1.00 0.00 O ATOM 681 OE2 GLU A 119 19.895 0.769 -0.921 1.00 0.00 O ATOM 0 H GLU A 119 16.545 -0.331 0.254 1.00 0.00 H new ATOM 0 HA GLU A 119 15.659 0.551 -2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.621 -1.476 -1.238 1.00 0.00 H new ATOM 0 HB3 GLU A 119 17.178 -1.601 -2.929 1.00 0.00 H new ATOM 0 HG2 GLU A 119 18.944 -0.052 -3.059 1.00 0.00 H new ATOM 0 HG3 GLU A 119 17.571 1.032 -2.952 1.00 0.00 H new ATOM 688 N GLU A 120 14.329 -2.261 -1.340 1.00 0.00 N ATOM 689 CA GLU A 120 13.299 -3.267 -1.714 1.00 0.00 C ATOM 690 C GLU A 120 11.930 -2.592 -1.679 1.00 0.00 C ATOM 691 O GLU A 120 11.095 -2.804 -2.534 1.00 0.00 O ATOM 692 CB GLU A 120 13.326 -4.427 -0.715 1.00 0.00 C ATOM 693 CG GLU A 120 12.084 -5.300 -0.906 1.00 0.00 C ATOM 694 CD GLU A 120 12.177 -6.040 -2.241 1.00 0.00 C ATOM 695 OE1 GLU A 120 13.221 -6.612 -2.508 1.00 0.00 O ATOM 696 OE2 GLU A 120 11.202 -6.023 -2.975 1.00 0.00 O ATOM 0 H GLU A 120 14.638 -2.300 -0.369 1.00 0.00 H new ATOM 0 HA GLU A 120 13.500 -3.656 -2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 120 14.227 -5.023 -0.859 1.00 0.00 H new ATOM 0 HB3 GLU A 120 13.358 -4.042 0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 120 12.000 -6.015 -0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 120 11.186 -4.683 -0.883 1.00 0.00 H new ATOM 703 N VAL A 121 11.705 -1.768 -0.692 1.00 0.00 N ATOM 704 CA VAL A 121 10.403 -1.056 -0.592 1.00 0.00 C ATOM 705 C VAL A 121 10.144 -0.306 -1.899 1.00 0.00 C ATOM 706 O VAL A 121 9.078 -0.388 -2.473 1.00 0.00 O ATOM 707 CB VAL A 121 10.461 -0.052 0.562 1.00 0.00 C ATOM 708 CG1 VAL A 121 9.118 0.671 0.679 1.00 0.00 C ATOM 709 CG2 VAL A 121 10.757 -0.792 1.868 1.00 0.00 C ATOM 0 H VAL A 121 12.371 -1.558 0.052 1.00 0.00 H new ATOM 0 HA VAL A 121 9.603 -1.774 -0.411 1.00 0.00 H new ATOM 0 HB VAL A 121 11.249 0.676 0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.160 1.386 1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 121 8.907 1.199 -0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.329 -0.056 0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.798 -0.077 2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.969 -1.521 2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 121 11.715 -1.306 1.786 1.00 0.00 H new ATOM 719 N ASP A 122 11.118 0.426 -2.374 1.00 0.00 N ATOM 720 CA ASP A 122 10.935 1.182 -3.644 1.00 0.00 C ATOM 721 C ASP A 122 10.429 0.231 -4.728 1.00 0.00 C ATOM 722 O ASP A 122 9.696 0.620 -5.611 1.00 0.00 O ATOM 723 CB ASP A 122 12.273 1.782 -4.080 1.00 0.00 C ATOM 724 CG ASP A 122 12.111 3.287 -4.311 1.00 0.00 C ATOM 725 OD1 ASP A 122 10.980 3.743 -4.331 1.00 0.00 O ATOM 726 OD2 ASP A 122 13.120 3.955 -4.467 1.00 0.00 O ATOM 0 H ASP A 122 12.033 0.532 -1.935 1.00 0.00 H new ATOM 0 HA ASP A 122 10.212 1.983 -3.490 1.00 0.00 H new ATOM 0 HB2 ASP A 122 13.030 1.601 -3.317 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.619 1.299 -4.994 1.00 0.00 H new ATOM 731 N GLU A 123 10.815 -1.012 -4.665 1.00 0.00 N ATOM 732 CA GLU A 123 10.349 -1.989 -5.689 1.00 0.00 C ATOM 733 C GLU A 123 8.881 -2.329 -5.423 1.00 0.00 C ATOM 734 O GLU A 123 8.087 -2.456 -6.335 1.00 0.00 O ATOM 735 CB GLU A 123 11.192 -3.263 -5.606 1.00 0.00 C ATOM 736 CG GLU A 123 12.677 -2.893 -5.622 1.00 0.00 C ATOM 737 CD GLU A 123 13.132 -2.675 -7.066 1.00 0.00 C ATOM 738 OE1 GLU A 123 12.291 -2.729 -7.948 1.00 0.00 O ATOM 739 OE2 GLU A 123 14.316 -2.457 -7.266 1.00 0.00 O ATOM 0 H GLU A 123 11.433 -1.394 -3.949 1.00 0.00 H new ATOM 0 HA GLU A 123 10.453 -1.555 -6.684 1.00 0.00 H new ATOM 0 HB2 GLU A 123 10.953 -3.812 -4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 123 10.961 -3.920 -6.444 1.00 0.00 H new ATOM 0 HG2 GLU A 123 12.844 -1.989 -5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.265 -3.686 -5.160 1.00 0.00 H new ATOM 746 N MET A 124 8.512 -2.469 -4.178 1.00 0.00 N ATOM 747 CA MET A 124 7.095 -2.788 -3.850 1.00 0.00 C ATOM 748 C MET A 124 6.216 -1.592 -4.219 1.00 0.00 C ATOM 749 O MET A 124 5.032 -1.724 -4.460 1.00 0.00 O ATOM 750 CB MET A 124 6.971 -3.082 -2.358 1.00 0.00 C ATOM 751 CG MET A 124 7.269 -4.560 -2.100 1.00 0.00 C ATOM 752 SD MET A 124 6.614 -5.033 -0.481 1.00 0.00 S ATOM 753 CE MET A 124 5.740 -6.524 -1.017 1.00 0.00 C ATOM 0 H MET A 124 9.133 -2.376 -3.374 1.00 0.00 H new ATOM 0 HA MET A 124 6.773 -3.664 -4.413 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.664 -2.457 -1.795 1.00 0.00 H new ATOM 0 HB3 MET A 124 5.967 -2.837 -2.011 1.00 0.00 H new ATOM 0 HG2 MET A 124 6.819 -5.174 -2.880 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.344 -4.737 -2.135 1.00 0.00 H new ATOM 0 HE1 MET A 124 5.252 -6.988 -0.160 1.00 0.00 H new ATOM 0 HE2 MET A 124 4.990 -6.258 -1.762 1.00 0.00 H new ATOM 0 HE3 MET A 124 6.451 -7.226 -1.453 1.00 0.00 H new ATOM 763 N ILE A 125 6.794 -0.423 -4.266 1.00 0.00 N ATOM 764 CA ILE A 125 6.018 0.794 -4.618 1.00 0.00 C ATOM 765 C ILE A 125 5.929 0.930 -6.139 1.00 0.00 C ATOM 766 O ILE A 125 4.915 1.311 -6.686 1.00 0.00 O ATOM 767 CB ILE A 125 6.730 2.021 -4.047 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.585 2.023 -2.517 1.00 0.00 C ATOM 769 CG2 ILE A 125 6.105 3.292 -4.638 1.00 0.00 C ATOM 770 CD1 ILE A 125 6.774 3.443 -1.967 1.00 0.00 C ATOM 0 H ILE A 125 7.782 -0.260 -4.073 1.00 0.00 H new ATOM 0 HA ILE A 125 5.013 0.716 -4.203 1.00 0.00 H new ATOM 0 HB ILE A 125 7.788 1.991 -4.306 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.602 1.645 -2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.322 1.353 -2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 125 6.611 4.168 -4.233 1.00 0.00 H new ATOM 0 HG22 ILE A 125 6.213 3.280 -5.723 1.00 0.00 H new ATOM 0 HG23 ILE A 125 5.047 3.331 -4.379 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.669 3.430 -0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.767 3.806 -2.231 1.00 0.00 H new ATOM 0 HD13 ILE A 125 6.020 4.103 -2.397 1.00 0.00 H new ATOM 782 N ARG A 126 6.999 0.638 -6.818 1.00 0.00 N ATOM 783 CA ARG A 126 7.010 0.758 -8.306 1.00 0.00 C ATOM 784 C ARG A 126 5.904 -0.105 -8.918 1.00 0.00 C ATOM 785 O ARG A 126 5.553 0.048 -10.071 1.00 0.00 O ATOM 786 CB ARG A 126 8.369 0.293 -8.840 1.00 0.00 C ATOM 787 CG ARG A 126 9.155 1.497 -9.364 1.00 0.00 C ATOM 788 CD ARG A 126 10.637 1.132 -9.480 1.00 0.00 C ATOM 789 NE ARG A 126 11.428 1.946 -8.513 1.00 0.00 N ATOM 790 CZ ARG A 126 11.649 3.212 -8.747 1.00 0.00 C ATOM 791 NH1 ARG A 126 11.108 3.791 -9.785 1.00 0.00 N ATOM 792 NH2 ARG A 126 12.408 3.900 -7.939 1.00 0.00 N ATOM 0 H ARG A 126 7.876 0.318 -6.406 1.00 0.00 H new ATOM 0 HA ARG A 126 6.838 1.799 -8.579 1.00 0.00 H new ATOM 0 HB2 ARG A 126 8.931 -0.204 -8.049 1.00 0.00 H new ATOM 0 HB3 ARG A 126 8.227 -0.436 -9.638 1.00 0.00 H new ATOM 0 HG2 ARG A 126 8.768 1.801 -10.336 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.031 2.346 -8.692 1.00 0.00 H new ATOM 0 HD2 ARG A 126 10.778 0.070 -9.278 1.00 0.00 H new ATOM 0 HD3 ARG A 126 10.988 1.312 -10.496 1.00 0.00 H new ATOM 0 HE ARG A 126 11.798 1.513 -7.667 1.00 0.00 H new ATOM 0 HH11 ARG A 126 10.511 3.255 -10.415 1.00 0.00 H new ATOM 0 HH12 ARG A 126 11.282 4.780 -9.966 1.00 0.00 H new ATOM 0 HH21 ARG A 126 12.828 3.449 -7.126 1.00 0.00 H new ATOM 0 HH22 ARG A 126 12.582 4.889 -8.120 1.00 0.00 H new ATOM 806 N GLU A 127 5.351 -1.013 -8.162 1.00 0.00 N ATOM 807 CA GLU A 127 4.273 -1.881 -8.716 1.00 0.00 C ATOM 808 C GLU A 127 2.912 -1.224 -8.477 1.00 0.00 C ATOM 809 O GLU A 127 1.969 -1.440 -9.213 1.00 0.00 O ATOM 810 CB GLU A 127 4.310 -3.245 -8.024 1.00 0.00 C ATOM 811 CG GLU A 127 5.757 -3.601 -7.676 1.00 0.00 C ATOM 812 CD GLU A 127 5.835 -5.065 -7.241 1.00 0.00 C ATOM 813 OE1 GLU A 127 5.099 -5.867 -7.792 1.00 0.00 O ATOM 814 OE2 GLU A 127 6.632 -5.361 -6.366 1.00 0.00 O ATOM 0 H GLU A 127 5.597 -1.191 -7.188 1.00 0.00 H new ATOM 0 HA GLU A 127 4.428 -2.012 -9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.702 -3.223 -7.120 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.883 -4.007 -8.676 1.00 0.00 H new ATOM 0 HG2 GLU A 127 6.401 -3.433 -8.539 1.00 0.00 H new ATOM 0 HG3 GLU A 127 6.119 -2.954 -6.877 1.00 0.00 H new ATOM 821 N ALA A 128 2.801 -0.425 -7.453 1.00 0.00 N ATOM 822 CA ALA A 128 1.501 0.242 -7.165 1.00 0.00 C ATOM 823 C ALA A 128 1.432 1.577 -7.912 1.00 0.00 C ATOM 824 O ALA A 128 0.543 1.807 -8.708 1.00 0.00 O ATOM 825 CB ALA A 128 1.387 0.493 -5.661 1.00 0.00 C ATOM 0 H ALA A 128 3.555 -0.205 -6.802 1.00 0.00 H new ATOM 0 HA ALA A 128 0.682 -0.397 -7.494 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.437 0.981 -5.445 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.436 -0.457 -5.129 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.207 1.134 -5.336 1.00 0.00 H new ATOM 831 N ASP A 129 2.361 2.459 -7.661 1.00 0.00 N ATOM 832 CA ASP A 129 2.344 3.778 -8.354 1.00 0.00 C ATOM 833 C ASP A 129 2.070 3.572 -9.846 1.00 0.00 C ATOM 834 O ASP A 129 2.773 2.849 -10.522 1.00 0.00 O ATOM 835 CB ASP A 129 3.700 4.466 -8.177 1.00 0.00 C ATOM 836 CG ASP A 129 4.797 3.591 -8.782 1.00 0.00 C ATOM 837 OD1 ASP A 129 4.530 2.426 -9.028 1.00 0.00 O ATOM 838 OD2 ASP A 129 5.887 4.098 -8.988 1.00 0.00 O ATOM 0 H ASP A 129 3.131 2.323 -7.006 1.00 0.00 H new ATOM 0 HA ASP A 129 1.560 4.401 -7.924 1.00 0.00 H new ATOM 0 HB2 ASP A 129 3.690 5.443 -8.661 1.00 0.00 H new ATOM 0 HB3 ASP A 129 3.898 4.637 -7.119 1.00 0.00 H new ATOM 843 N ILE A 130 1.051 4.204 -10.364 1.00 0.00 N ATOM 844 CA ILE A 130 0.729 4.047 -11.809 1.00 0.00 C ATOM 845 C ILE A 130 1.433 5.140 -12.609 1.00 0.00 C ATOM 846 O ILE A 130 1.915 4.914 -13.702 1.00 0.00 O ATOM 847 CB ILE A 130 -0.782 4.172 -12.000 1.00 0.00 C ATOM 848 CG1 ILE A 130 -1.487 3.082 -11.194 1.00 0.00 C ATOM 849 CG2 ILE A 130 -1.130 4.015 -13.480 1.00 0.00 C ATOM 850 CD1 ILE A 130 -2.968 3.437 -11.042 1.00 0.00 C ATOM 0 H ILE A 130 0.427 4.823 -9.846 1.00 0.00 H new ATOM 0 HA ILE A 130 1.066 3.070 -12.157 1.00 0.00 H new ATOM 0 HB ILE A 130 -1.109 5.153 -11.655 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -1.382 2.119 -11.695 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -1.023 2.983 -10.213 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -2.208 4.105 -13.612 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -0.628 4.792 -14.056 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -0.802 3.036 -13.829 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -3.471 2.660 -10.467 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -3.062 4.391 -10.523 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -3.427 3.514 -12.028 1.00 0.00 H new ATOM 862 N ASP A 131 1.492 6.323 -12.073 1.00 0.00 N ATOM 863 CA ASP A 131 2.160 7.440 -12.797 1.00 0.00 C ATOM 864 C ASP A 131 3.679 7.281 -12.703 1.00 0.00 C ATOM 865 O ASP A 131 4.398 7.566 -13.640 1.00 0.00 O ATOM 866 CB ASP A 131 1.742 8.774 -12.171 1.00 0.00 C ATOM 867 CG ASP A 131 2.327 8.881 -10.763 1.00 0.00 C ATOM 868 OD1 ASP A 131 2.158 7.946 -9.999 1.00 0.00 O ATOM 869 OD2 ASP A 131 2.934 9.899 -10.471 1.00 0.00 O ATOM 0 H ASP A 131 1.106 6.568 -11.161 1.00 0.00 H new ATOM 0 HA ASP A 131 1.863 7.421 -13.845 1.00 0.00 H new ATOM 0 HB2 ASP A 131 2.093 9.603 -12.786 1.00 0.00 H new ATOM 0 HB3 ASP A 131 0.655 8.845 -12.131 1.00 0.00 H new ATOM 874 N GLY A 132 4.176 6.831 -11.583 1.00 0.00 N ATOM 875 CA GLY A 132 5.648 6.660 -11.443 1.00 0.00 C ATOM 876 C GLY A 132 6.211 7.799 -10.592 1.00 0.00 C ATOM 877 O GLY A 132 7.327 8.239 -10.784 1.00 0.00 O ATOM 0 H GLY A 132 3.627 6.575 -10.762 1.00 0.00 H new ATOM 0 HA2 GLY A 132 5.871 5.699 -10.979 1.00 0.00 H new ATOM 0 HA3 GLY A 132 6.120 6.657 -12.425 1.00 0.00 H new ATOM 881 N ASP A 133 5.443 8.281 -9.654 1.00 0.00 N ATOM 882 CA ASP A 133 5.932 9.392 -8.791 1.00 0.00 C ATOM 883 C ASP A 133 6.851 8.835 -7.711 1.00 0.00 C ATOM 884 O ASP A 133 7.705 9.522 -7.185 1.00 0.00 O ATOM 885 CB ASP A 133 4.751 10.101 -8.136 1.00 0.00 C ATOM 886 CG ASP A 133 3.697 9.077 -7.712 1.00 0.00 C ATOM 887 OD1 ASP A 133 4.081 8.012 -7.261 1.00 0.00 O ATOM 888 OD2 ASP A 133 2.521 9.377 -7.846 1.00 0.00 O ATOM 0 H ASP A 133 4.499 7.954 -9.448 1.00 0.00 H new ATOM 0 HA ASP A 133 6.482 10.104 -9.406 1.00 0.00 H new ATOM 0 HB2 ASP A 133 5.091 10.666 -7.268 1.00 0.00 H new ATOM 0 HB3 ASP A 133 4.315 10.818 -8.832 1.00 0.00 H new ATOM 893 N GLY A 134 6.685 7.591 -7.387 1.00 0.00 N ATOM 894 CA GLY A 134 7.554 6.965 -6.346 1.00 0.00 C ATOM 895 C GLY A 134 6.787 6.840 -5.026 1.00 0.00 C ATOM 896 O GLY A 134 7.367 6.855 -3.958 1.00 0.00 O ATOM 0 H GLY A 134 5.984 6.973 -7.796 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.883 5.981 -6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 134 8.450 7.567 -6.199 1.00 0.00 H new ATOM 900 N GLN A 135 5.493 6.707 -5.089 1.00 0.00 N ATOM 901 CA GLN A 135 4.693 6.570 -3.836 1.00 0.00 C ATOM 902 C GLN A 135 3.339 5.951 -4.176 1.00 0.00 C ATOM 903 O GLN A 135 3.130 5.462 -5.268 1.00 0.00 O ATOM 904 CB GLN A 135 4.489 7.945 -3.197 1.00 0.00 C ATOM 905 CG GLN A 135 3.868 8.895 -4.218 1.00 0.00 C ATOM 906 CD GLN A 135 4.487 10.286 -4.060 1.00 0.00 C ATOM 907 OE1 GLN A 135 5.694 10.426 -4.019 1.00 0.00 O ATOM 908 NE2 GLN A 135 3.708 11.330 -3.968 1.00 0.00 N ATOM 0 H GLN A 135 4.952 6.687 -5.953 1.00 0.00 H new ATOM 0 HA GLN A 135 5.223 5.930 -3.131 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.842 7.859 -2.324 1.00 0.00 H new ATOM 0 HB3 GLN A 135 5.443 8.341 -2.849 1.00 0.00 H new ATOM 0 HG2 GLN A 135 4.037 8.522 -5.228 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.789 8.947 -4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 135 2.695 11.215 -4.002 1.00 0.00 H new ATOM 0 HE22 GLN A 135 4.112 12.260 -3.862 1.00 0.00 H new ATOM 917 N VAL A 136 2.419 5.947 -3.251 1.00 0.00 N ATOM 918 CA VAL A 136 1.097 5.336 -3.535 1.00 0.00 C ATOM 919 C VAL A 136 -0.022 6.231 -3.001 1.00 0.00 C ATOM 920 O VAL A 136 0.208 7.158 -2.257 1.00 0.00 O ATOM 921 CB VAL A 136 1.037 3.986 -2.824 1.00 0.00 C ATOM 922 CG1 VAL A 136 -0.305 3.316 -3.102 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.167 3.091 -3.332 1.00 0.00 C ATOM 0 H VAL A 136 2.528 6.339 -2.316 1.00 0.00 H new ATOM 0 HA VAL A 136 0.969 5.215 -4.611 1.00 0.00 H new ATOM 0 HB VAL A 136 1.148 4.140 -1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.343 2.353 -2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -1.112 3.952 -2.737 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.420 3.164 -4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.124 2.127 -2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.057 2.941 -4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.127 3.566 -3.128 1.00 0.00 H new ATOM 933 N ASN A 137 -1.238 5.938 -3.366 1.00 0.00 N ATOM 934 CA ASN A 137 -2.388 6.731 -2.863 1.00 0.00 C ATOM 935 C ASN A 137 -3.549 5.770 -2.649 1.00 0.00 C ATOM 936 O ASN A 137 -3.377 4.569 -2.680 1.00 0.00 O ATOM 937 CB ASN A 137 -2.810 7.806 -3.865 1.00 0.00 C ATOM 938 CG ASN A 137 -1.869 7.831 -5.069 1.00 0.00 C ATOM 939 OD1 ASN A 137 -0.664 7.813 -4.920 1.00 0.00 O ATOM 940 ND2 ASN A 137 -2.379 7.873 -6.268 1.00 0.00 N ATOM 0 H ASN A 137 -1.484 5.176 -3.997 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.102 7.232 -1.938 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -3.830 7.616 -4.200 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.810 8.782 -3.379 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -1.766 7.891 -7.083 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -3.391 7.888 -6.391 1.00 0.00 H new ATOM 947 N TYR A 138 -4.729 6.267 -2.440 1.00 0.00 N ATOM 948 CA TYR A 138 -5.871 5.346 -2.231 1.00 0.00 C ATOM 949 C TYR A 138 -6.273 4.721 -3.566 1.00 0.00 C ATOM 950 O TYR A 138 -6.623 3.561 -3.640 1.00 0.00 O ATOM 951 CB TYR A 138 -7.054 6.111 -1.659 1.00 0.00 C ATOM 952 CG TYR A 138 -8.226 5.176 -1.584 1.00 0.00 C ATOM 953 CD1 TYR A 138 -8.151 4.053 -0.763 1.00 0.00 C ATOM 954 CD2 TYR A 138 -9.376 5.421 -2.340 1.00 0.00 C ATOM 955 CE1 TYR A 138 -9.226 3.163 -0.691 1.00 0.00 C ATOM 956 CE2 TYR A 138 -10.456 4.532 -2.273 1.00 0.00 C ATOM 957 CZ TYR A 138 -10.381 3.402 -1.447 1.00 0.00 C ATOM 958 OH TYR A 138 -11.444 2.525 -1.380 1.00 0.00 O ATOM 0 H TYR A 138 -4.952 7.262 -2.405 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.575 4.563 -1.532 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.813 6.499 -0.669 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.292 6.969 -2.288 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.260 3.870 -0.181 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.431 6.294 -2.974 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.167 2.293 -0.054 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.345 4.717 -2.857 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.165 2.839 -1.965 1.00 0.00 H new ATOM 968 N GLU A 139 -6.231 5.484 -4.621 1.00 0.00 N ATOM 969 CA GLU A 139 -6.615 4.941 -5.950 1.00 0.00 C ATOM 970 C GLU A 139 -5.617 3.861 -6.374 1.00 0.00 C ATOM 971 O GLU A 139 -5.993 2.777 -6.771 1.00 0.00 O ATOM 972 CB GLU A 139 -6.609 6.073 -6.978 1.00 0.00 C ATOM 973 CG GLU A 139 -8.011 6.238 -7.563 1.00 0.00 C ATOM 974 CD GLU A 139 -8.353 7.726 -7.649 1.00 0.00 C ATOM 975 OE1 GLU A 139 -8.559 8.327 -6.608 1.00 0.00 O ATOM 976 OE2 GLU A 139 -8.400 8.240 -8.755 1.00 0.00 O ATOM 0 H GLU A 139 -5.946 6.463 -4.619 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.612 4.505 -5.890 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -6.287 7.003 -6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -5.896 5.853 -7.772 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.060 5.784 -8.553 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.740 5.721 -6.939 1.00 0.00 H new ATOM 983 N GLU A 140 -4.347 4.151 -6.298 1.00 0.00 N ATOM 984 CA GLU A 140 -3.326 3.143 -6.702 1.00 0.00 C ATOM 985 C GLU A 140 -3.330 1.978 -5.708 1.00 0.00 C ATOM 986 O GLU A 140 -3.150 0.835 -6.077 1.00 0.00 O ATOM 987 CB GLU A 140 -1.945 3.799 -6.716 1.00 0.00 C ATOM 988 CG GLU A 140 -2.011 5.113 -7.494 1.00 0.00 C ATOM 989 CD GLU A 140 -0.609 5.714 -7.602 1.00 0.00 C ATOM 990 OE1 GLU A 140 0.172 5.510 -6.687 1.00 0.00 O ATOM 991 OE2 GLU A 140 -0.341 6.369 -8.595 1.00 0.00 O ATOM 0 H GLU A 140 -3.972 5.042 -5.974 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.562 2.766 -7.697 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -1.609 3.985 -5.696 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.217 3.129 -7.174 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -2.421 4.938 -8.489 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -2.680 5.812 -6.992 1.00 0.00 H new ATOM 998 N PHE A 141 -3.529 2.259 -4.450 1.00 0.00 N ATOM 999 CA PHE A 141 -3.540 1.168 -3.437 1.00 0.00 C ATOM 1000 C PHE A 141 -4.781 0.298 -3.631 1.00 0.00 C ATOM 1001 O PHE A 141 -4.792 -0.869 -3.293 1.00 0.00 O ATOM 1002 CB PHE A 141 -3.564 1.784 -2.041 1.00 0.00 C ATOM 1003 CG PHE A 141 -3.833 0.712 -1.012 1.00 0.00 C ATOM 1004 CD1 PHE A 141 -5.152 0.379 -0.674 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -2.765 0.057 -0.389 1.00 0.00 C ATOM 1006 CE1 PHE A 141 -5.399 -0.609 0.285 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -3.014 -0.932 0.569 1.00 0.00 C ATOM 1008 CZ PHE A 141 -4.330 -1.265 0.907 1.00 0.00 C ATOM 0 H PHE A 141 -3.684 3.197 -4.080 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.648 0.552 -3.554 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.611 2.270 -1.832 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -4.334 2.554 -1.987 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -5.977 0.885 -1.154 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -1.749 0.315 -0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.415 -0.866 0.546 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.189 -1.439 1.048 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.521 -2.028 1.647 1.00 0.00 H new ATOM 1018 N VAL A 142 -5.829 0.855 -4.171 1.00 0.00 N ATOM 1019 CA VAL A 142 -7.067 0.055 -4.382 1.00 0.00 C ATOM 1020 C VAL A 142 -6.816 -1.007 -5.456 1.00 0.00 C ATOM 1021 O VAL A 142 -7.215 -2.145 -5.319 1.00 0.00 O ATOM 1022 CB VAL A 142 -8.202 0.979 -4.829 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -9.381 0.141 -5.324 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -8.652 1.839 -3.646 1.00 0.00 C ATOM 0 H VAL A 142 -5.882 1.827 -4.475 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.345 -0.435 -3.449 1.00 0.00 H new ATOM 0 HB VAL A 142 -7.850 1.621 -5.636 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.188 0.801 -5.642 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.062 -0.474 -6.166 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -9.734 -0.502 -4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.461 2.498 -3.962 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.003 1.194 -2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -7.813 2.438 -3.292 1.00 0.00 H new ATOM 1034 N GLN A 143 -6.159 -0.645 -6.525 1.00 0.00 N ATOM 1035 CA GLN A 143 -5.888 -1.636 -7.607 1.00 0.00 C ATOM 1036 C GLN A 143 -4.819 -2.631 -7.146 1.00 0.00 C ATOM 1037 O GLN A 143 -4.711 -3.723 -7.666 1.00 0.00 O ATOM 1038 CB GLN A 143 -5.389 -0.906 -8.859 1.00 0.00 C ATOM 1039 CG GLN A 143 -6.308 0.277 -9.167 1.00 0.00 C ATOM 1040 CD GLN A 143 -5.897 0.910 -10.498 1.00 0.00 C ATOM 1041 OE1 GLN A 143 -5.852 2.118 -10.621 1.00 0.00 O ATOM 1042 NE2 GLN A 143 -5.596 0.140 -11.508 1.00 0.00 N ATOM 0 H GLN A 143 -5.798 0.294 -6.696 1.00 0.00 H new ATOM 0 HA GLN A 143 -6.809 -2.173 -7.836 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -4.368 -0.556 -8.705 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -5.366 -1.591 -9.706 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -7.344 -0.057 -9.216 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -6.248 1.015 -8.367 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -5.634 -0.874 -11.405 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -5.323 0.552 -12.400 1.00 0.00 H new ATOM 1051 N MET A 144 -4.024 -2.260 -6.179 1.00 0.00 N ATOM 1052 CA MET A 144 -2.958 -3.184 -5.696 1.00 0.00 C ATOM 1053 C MET A 144 -3.505 -4.068 -4.573 1.00 0.00 C ATOM 1054 O MET A 144 -2.985 -5.132 -4.301 1.00 0.00 O ATOM 1055 CB MET A 144 -1.777 -2.366 -5.169 1.00 0.00 C ATOM 1056 CG MET A 144 -0.477 -3.149 -5.374 1.00 0.00 C ATOM 1057 SD MET A 144 -0.113 -4.117 -3.888 1.00 0.00 S ATOM 1058 CE MET A 144 1.648 -4.384 -4.213 1.00 0.00 C ATOM 0 H MET A 144 -4.066 -1.359 -5.703 1.00 0.00 H new ATOM 0 HA MET A 144 -2.629 -3.815 -6.522 1.00 0.00 H new ATOM 0 HB2 MET A 144 -1.723 -1.410 -5.689 1.00 0.00 H new ATOM 0 HB3 MET A 144 -1.918 -2.146 -4.111 1.00 0.00 H new ATOM 0 HG2 MET A 144 -0.570 -3.809 -6.237 1.00 0.00 H new ATOM 0 HG3 MET A 144 0.344 -2.463 -5.584 1.00 0.00 H new ATOM 0 HE1 MET A 144 2.082 -4.972 -3.404 1.00 0.00 H new ATOM 0 HE2 MET A 144 1.767 -4.919 -5.155 1.00 0.00 H new ATOM 0 HE3 MET A 144 2.156 -3.422 -4.275 1.00 0.00 H new ATOM 1068 N MET A 145 -4.548 -3.640 -3.915 1.00 0.00 N ATOM 1069 CA MET A 145 -5.115 -4.457 -2.816 1.00 0.00 C ATOM 1070 C MET A 145 -6.219 -5.365 -3.362 1.00 0.00 C ATOM 1071 O MET A 145 -6.146 -6.574 -3.260 1.00 0.00 O ATOM 1072 CB MET A 145 -5.685 -3.543 -1.732 1.00 0.00 C ATOM 1073 CG MET A 145 -5.288 -4.098 -0.366 1.00 0.00 C ATOM 1074 SD MET A 145 -3.500 -3.928 -0.140 1.00 0.00 S ATOM 1075 CE MET A 145 -3.166 -5.647 0.316 1.00 0.00 C ATOM 0 H MET A 145 -5.029 -2.759 -4.095 1.00 0.00 H new ATOM 0 HA MET A 145 -4.326 -5.073 -2.385 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.304 -2.529 -1.853 1.00 0.00 H new ATOM 0 HB3 MET A 145 -6.770 -3.488 -1.817 1.00 0.00 H new ATOM 0 HG2 MET A 145 -5.817 -3.564 0.423 1.00 0.00 H new ATOM 0 HG3 MET A 145 -5.577 -5.146 -0.290 1.00 0.00 H new ATOM 0 HE1 MET A 145 -2.100 -5.773 0.504 1.00 0.00 H new ATOM 0 HE2 MET A 145 -3.726 -5.900 1.216 1.00 0.00 H new ATOM 0 HE3 MET A 145 -3.471 -6.305 -0.498 1.00 0.00 H new ATOM 1085 N THR A 146 -7.242 -4.799 -3.942 1.00 0.00 N ATOM 1086 CA THR A 146 -8.341 -5.644 -4.490 1.00 0.00 C ATOM 1087 C THR A 146 -7.774 -6.586 -5.556 1.00 0.00 C ATOM 1088 O THR A 146 -8.084 -7.761 -5.587 1.00 0.00 O ATOM 1089 CB THR A 146 -9.424 -4.749 -5.105 1.00 0.00 C ATOM 1090 OG1 THR A 146 -10.627 -5.492 -5.237 1.00 0.00 O ATOM 1091 CG2 THR A 146 -8.978 -4.255 -6.483 1.00 0.00 C ATOM 0 H THR A 146 -7.364 -3.793 -4.060 1.00 0.00 H new ATOM 0 HA THR A 146 -8.783 -6.233 -3.687 1.00 0.00 H new ATOM 0 HB THR A 146 -9.589 -3.889 -4.455 1.00 0.00 H new ATOM 0 HG1 THR A 146 -11.322 -4.922 -5.628 1.00 0.00 H new ATOM 0 HG21 THR A 146 -9.754 -3.620 -6.911 1.00 0.00 H new ATOM 0 HG22 THR A 146 -8.056 -3.683 -6.383 1.00 0.00 H new ATOM 0 HG23 THR A 146 -8.806 -5.109 -7.138 1.00 0.00 H new