USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 738 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 99 ASN : amide:sc= -0.571 X(o=-0.57,f=-0.4) USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 29 CYS SG : rot 91:sc= -0.0218 USER MOD Set 2.2: A 115 MET CE :methyl -111:sc= -0.648 (180deg=-1.54) USER MOD Set 3.1: A 10 SER OG : rot 180:sc= -0.0413 USER MOD Set 3.2: A 11 ASN : amide:sc= -0.294 X(o=-0.34,f=-0.25) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc=0.000983 USER MOD Single : A 28 TYR OH : rot 15:sc= -1.13 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc=0.000289 USER MOD Single : A 52 MET CE :methyl -164:sc= -0.0012 (180deg=-0.3) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -120:sc= 0.00177 USER MOD Single : A 63 HIS : no HE2:sc= -0.312 K(o=-0.31,f=-3.8!) USER MOD Single : A 65 ASN : amide:sc= -0.465 X(o=-0.47,f=-0.78) USER MOD Single : A 66 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0238) USER MOD Single : A 70 MET CE :methyl -172:sc= -0.577 (180deg=-0.817) USER MOD Single : A 71 GLN : amide:sc= -1.34 K(o=-1.3,f=-2.2) USER MOD Single : A 75 LYS NZ :NH3+ 163:sc= -0.0114 (180deg=-0.13) USER MOD Single : A 83 SER OG : rot -169:sc= -0.572 USER MOD Single : A 85 THR OG1 : rot 180:sc=-0.00436 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 132:sc= 0.0813 USER MOD Single : A 96 CYS SG : rot 61:sc= 0.656 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.263 K(o=-0.26,f=-2!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 MET CE :methyl 146:sc= -0.14 (180deg=-1.04) USER MOD Single : A 118 ASN : amide:sc= -1.76 K(o=-1.8,f=-0.019) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N SER A 2 -0.074 -21.718 6.539 1.00 0.00 N ATOM 84 CA SER A 2 -0.465 -20.872 5.418 1.00 0.00 C ATOM 85 C SER A 2 0.241 -19.521 5.484 1.00 0.00 C ATOM 86 O SER A 2 0.008 -18.708 6.378 1.00 0.00 O ATOM 87 CB SER A 2 -1.981 -20.667 5.411 1.00 0.00 C ATOM 88 OG SER A 2 -2.649 -21.819 4.926 1.00 0.00 O ATOM 0 HA SER A 2 -0.168 -21.373 4.497 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.325 -20.441 6.420 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.232 -19.808 4.789 1.00 0.00 H new ATOM 0 HG SER A 2 -3.617 -21.663 4.933 1.00 0.00 H new ATOM 94 N PRO A 3 1.131 -19.272 4.512 1.00 0.00 N ATOM 95 CA PRO A 3 1.831 -17.984 4.539 1.00 0.00 C ATOM 96 C PRO A 3 0.907 -16.815 4.216 1.00 0.00 C ATOM 97 O PRO A 3 -0.147 -16.994 3.605 1.00 0.00 O ATOM 98 CB PRO A 3 2.899 -18.138 3.453 1.00 0.00 C ATOM 99 CG PRO A 3 2.346 -19.159 2.520 1.00 0.00 C ATOM 100 CD PRO A 3 1.543 -20.105 3.370 1.00 0.00 C ATOM 0 HA PRO A 3 2.236 -17.761 5.526 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.083 -17.193 2.942 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.850 -18.462 3.876 1.00 0.00 H new ATOM 0 HG2 PRO A 3 1.721 -18.693 1.758 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.146 -19.685 1.999 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.683 -20.499 2.829 1.00 0.00 H new ATOM 0 HD3 PRO A 3 2.138 -20.961 3.691 1.00 0.00 H new ATOM 108 N PHE A 4 1.309 -15.617 4.630 1.00 0.00 N ATOM 109 CA PHE A 4 0.516 -14.418 4.384 1.00 0.00 C ATOM 110 C PHE A 4 1.373 -13.317 3.765 1.00 0.00 C ATOM 111 O PHE A 4 2.602 -13.367 3.820 1.00 0.00 O ATOM 112 CB PHE A 4 -0.111 -13.920 5.688 1.00 0.00 C ATOM 113 CG PHE A 4 0.880 -13.301 6.632 1.00 0.00 C ATOM 114 CD1 PHE A 4 1.626 -14.093 7.491 1.00 0.00 C ATOM 115 CD2 PHE A 4 1.066 -11.929 6.660 1.00 0.00 C ATOM 116 CE1 PHE A 4 2.539 -13.527 8.361 1.00 0.00 C ATOM 117 CE2 PHE A 4 1.979 -11.357 7.527 1.00 0.00 C ATOM 118 CZ PHE A 4 2.715 -12.157 8.379 1.00 0.00 C ATOM 0 H PHE A 4 2.178 -15.451 5.137 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.277 -14.674 3.682 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.884 -13.188 5.454 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.603 -14.755 6.187 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.492 -15.165 7.480 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.492 -11.299 5.997 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.114 -14.155 9.026 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.116 -10.286 7.538 1.00 0.00 H new ATOM 0 HZ PHE A 4 3.427 -11.712 9.058 1.00 0.00 H new ATOM 128 N LEU A 5 0.715 -12.325 3.177 1.00 0.00 N ATOM 129 CA LEU A 5 1.414 -11.211 2.547 1.00 0.00 C ATOM 130 C LEU A 5 1.275 -9.939 3.378 1.00 0.00 C ATOM 131 O LEU A 5 0.170 -9.558 3.767 1.00 0.00 O ATOM 132 CB LEU A 5 0.871 -10.974 1.136 1.00 0.00 C ATOM 133 CG LEU A 5 1.555 -11.755 0.014 1.00 0.00 C ATOM 134 CD1 LEU A 5 0.876 -11.478 -1.319 1.00 0.00 C ATOM 135 CD2 LEU A 5 3.034 -11.405 -0.056 1.00 0.00 C ATOM 0 H LEU A 5 -0.302 -12.269 3.123 1.00 0.00 H new ATOM 0 HA LEU A 5 2.471 -11.468 2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.190 -11.223 1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.950 -9.910 0.912 1.00 0.00 H new ATOM 0 HG LEU A 5 1.465 -12.819 0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.376 -12.042 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.170 -11.780 -1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.935 -10.413 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.504 -11.971 -0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.147 -10.338 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.512 -11.655 0.891 1.00 0.00 H new ATOM 147 N ARG A 6 2.401 -9.286 3.645 1.00 0.00 N ATOM 148 CA ARG A 6 2.404 -8.057 4.429 1.00 0.00 C ATOM 149 C ARG A 6 2.768 -6.858 3.559 1.00 0.00 C ATOM 150 O ARG A 6 3.944 -6.535 3.390 1.00 0.00 O ATOM 151 CB ARG A 6 3.389 -8.173 5.594 1.00 0.00 C ATOM 152 CG ARG A 6 3.534 -6.891 6.398 1.00 0.00 C ATOM 153 CD ARG A 6 3.870 -7.181 7.853 1.00 0.00 C ATOM 154 NE ARG A 6 4.636 -6.098 8.464 1.00 0.00 N ATOM 155 CZ ARG A 6 5.023 -6.097 9.734 1.00 0.00 C ATOM 156 NH1 ARG A 6 4.718 -7.118 10.524 1.00 0.00 N ATOM 157 NH2 ARG A 6 5.717 -5.074 10.218 1.00 0.00 N ATOM 0 H ARG A 6 3.323 -9.588 3.330 1.00 0.00 H new ATOM 0 HA ARG A 6 1.400 -7.905 4.825 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.061 -8.973 6.258 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.366 -8.461 5.206 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.316 -6.272 5.959 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.607 -6.320 6.344 1.00 0.00 H new ATOM 0 HD2 ARG A 6 2.948 -7.335 8.414 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.440 -8.108 7.916 1.00 0.00 H new ATOM 0 HE ARG A 6 4.888 -5.298 7.883 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.185 -7.906 10.156 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.016 -7.115 11.499 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.954 -4.287 9.614 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.013 -5.075 11.194 1.00 0.00 H new ATOM 171 N ILE A 7 1.751 -6.203 3.008 1.00 0.00 N ATOM 172 CA ILE A 7 1.964 -5.040 2.156 1.00 0.00 C ATOM 173 C ILE A 7 1.944 -3.751 2.970 1.00 0.00 C ATOM 174 O ILE A 7 1.148 -3.602 3.896 1.00 0.00 O ATOM 175 CB ILE A 7 0.898 -4.951 1.048 1.00 0.00 C ATOM 176 CG1 ILE A 7 0.874 -6.243 0.229 1.00 0.00 C ATOM 177 CG2 ILE A 7 1.167 -3.753 0.149 1.00 0.00 C ATOM 178 CD1 ILE A 7 -0.055 -7.297 0.790 1.00 0.00 C ATOM 0 H ILE A 7 0.772 -6.458 3.137 1.00 0.00 H new ATOM 0 HA ILE A 7 2.945 -5.161 1.696 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.079 -4.819 1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.572 -6.011 -0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.884 -6.650 0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.405 -3.704 -0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.139 -2.839 0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.150 -3.857 -0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.021 -8.185 0.159 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.259 -7.558 1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.073 -6.908 0.815 1.00 0.00 H new ATOM 190 N GLY A 8 2.825 -2.820 2.616 1.00 0.00 N ATOM 191 CA GLY A 8 2.891 -1.554 3.323 1.00 0.00 C ATOM 192 C GLY A 8 2.954 -0.367 2.382 1.00 0.00 C ATOM 193 O GLY A 8 3.758 -0.347 1.449 1.00 0.00 O ATOM 0 H GLY A 8 3.494 -2.920 1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.018 -1.456 3.969 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.768 -1.548 3.970 1.00 0.00 H new ATOM 197 N LEU A 9 2.104 0.624 2.625 1.00 0.00 N ATOM 198 CA LEU A 9 2.065 1.821 1.791 1.00 0.00 C ATOM 199 C LEU A 9 2.627 3.025 2.540 1.00 0.00 C ATOM 200 O LEU A 9 2.452 3.152 3.752 1.00 0.00 O ATOM 201 CB LEU A 9 0.631 2.108 1.343 1.00 0.00 C ATOM 202 CG LEU A 9 -0.156 0.912 0.806 1.00 0.00 C ATOM 203 CD1 LEU A 9 -1.645 1.221 0.781 1.00 0.00 C ATOM 204 CD2 LEU A 9 0.334 0.531 -0.583 1.00 0.00 C ATOM 0 H LEU A 9 1.432 0.623 3.393 1.00 0.00 H new ATOM 0 HA LEU A 9 2.684 1.642 0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.085 2.527 2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.660 2.875 0.570 1.00 0.00 H new ATOM 0 HG LEU A 9 0.008 0.065 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.189 0.359 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.987 1.444 1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.827 2.082 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.237 -0.322 -0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.201 1.375 -1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.390 0.267 -0.536 1.00 0.00 H new ATOM 216 N SER A 10 3.300 3.908 1.810 1.00 0.00 N ATOM 217 CA SER A 10 3.889 5.102 2.405 1.00 0.00 C ATOM 218 C SER A 10 4.325 6.088 1.326 1.00 0.00 C ATOM 219 O SER A 10 4.471 5.725 0.160 1.00 0.00 O ATOM 220 CB SER A 10 5.086 4.724 3.280 1.00 0.00 C ATOM 221 OG SER A 10 6.217 4.407 2.488 1.00 0.00 O ATOM 0 H SER A 10 3.451 3.819 0.805 1.00 0.00 H new ATOM 0 HA SER A 10 3.131 5.581 3.025 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.327 5.550 3.949 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.827 3.871 3.907 1.00 0.00 H new ATOM 0 HG SER A 10 6.969 4.171 3.071 1.00 0.00 H new ATOM 227 N ASN A 11 4.530 7.339 1.724 1.00 0.00 N ATOM 228 CA ASN A 11 4.949 8.380 0.792 1.00 0.00 C ATOM 229 C ASN A 11 3.892 8.602 -0.285 1.00 0.00 C ATOM 230 O ASN A 11 4.195 8.588 -1.479 1.00 0.00 O ATOM 231 CB ASN A 11 6.284 8.006 0.144 1.00 0.00 C ATOM 232 CG ASN A 11 7.209 7.282 1.103 1.00 0.00 C ATOM 233 OD1 ASN A 11 7.484 7.765 2.201 1.00 0.00 O ATOM 234 ND2 ASN A 11 7.695 6.117 0.690 1.00 0.00 N ATOM 0 H ASN A 11 4.413 7.657 2.686 1.00 0.00 H new ATOM 0 HA ASN A 11 5.072 9.307 1.352 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.099 7.374 -0.725 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.775 8.909 -0.218 1.00 0.00 H new ATOM 0 HD21 ASN A 11 8.323 5.584 1.292 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.440 5.755 -0.229 1.00 0.00 H new ATOM 241 N PHE A 12 2.652 8.808 0.144 1.00 0.00 N ATOM 242 CA PHE A 12 1.549 9.033 -0.784 1.00 0.00 C ATOM 243 C PHE A 12 1.642 10.420 -1.412 1.00 0.00 C ATOM 244 O PHE A 12 1.830 11.418 -0.716 1.00 0.00 O ATOM 245 CB PHE A 12 0.208 8.875 -0.064 1.00 0.00 C ATOM 246 CG PHE A 12 -0.978 9.180 -0.933 1.00 0.00 C ATOM 247 CD1 PHE A 12 -1.080 8.639 -2.204 1.00 0.00 C ATOM 248 CD2 PHE A 12 -1.992 10.008 -0.478 1.00 0.00 C ATOM 249 CE1 PHE A 12 -2.171 8.918 -3.006 1.00 0.00 C ATOM 250 CE2 PHE A 12 -3.085 10.290 -1.275 1.00 0.00 C ATOM 251 CZ PHE A 12 -3.174 9.745 -2.541 1.00 0.00 C ATOM 0 H PHE A 12 2.385 8.824 1.128 1.00 0.00 H new ATOM 0 HA PHE A 12 1.617 8.289 -1.577 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.123 7.854 0.308 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.191 9.534 0.804 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.298 7.992 -2.573 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.927 10.438 0.511 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.239 8.490 -3.995 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.869 10.936 -0.908 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.027 9.965 -3.166 1.00 0.00 H new ATOM 261 N ASP A 13 1.508 10.475 -2.733 1.00 0.00 N ATOM 262 CA ASP A 13 1.576 11.739 -3.456 1.00 0.00 C ATOM 263 C ASP A 13 0.291 11.986 -4.241 1.00 0.00 C ATOM 264 O ASP A 13 -0.017 11.263 -5.190 1.00 0.00 O ATOM 265 CB ASP A 13 2.776 11.746 -4.404 1.00 0.00 C ATOM 266 CG ASP A 13 3.263 13.148 -4.713 1.00 0.00 C ATOM 267 OD1 ASP A 13 2.545 14.112 -4.376 1.00 0.00 O ATOM 268 OD2 ASP A 13 4.361 13.281 -5.293 1.00 0.00 O ATOM 0 H ASP A 13 1.352 9.659 -3.324 1.00 0.00 H new ATOM 0 HA ASP A 13 1.695 12.540 -2.726 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.589 11.172 -3.960 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.504 11.246 -5.334 1.00 0.00 H new ATOM 273 N CYS A 14 -0.454 13.009 -3.840 1.00 0.00 N ATOM 274 CA CYS A 14 -1.707 13.350 -4.504 1.00 0.00 C ATOM 275 C CYS A 14 -1.526 14.555 -5.421 1.00 0.00 C ATOM 276 O CYS A 14 -2.234 14.703 -6.417 1.00 0.00 O ATOM 277 CB CYS A 14 -2.795 13.640 -3.469 1.00 0.00 C ATOM 278 SG CYS A 14 -2.487 15.113 -2.468 1.00 0.00 S ATOM 0 H CYS A 14 -0.212 13.617 -3.058 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.012 12.497 -5.111 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.749 13.756 -3.983 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.892 12.779 -2.808 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.462 15.276 -1.624 1.00 0.00 H new ATOM 431 N PRO A 27 -7.131 12.456 3.515 1.00 0.00 N ATOM 432 CA PRO A 27 -7.491 11.392 2.572 1.00 0.00 C ATOM 433 C PRO A 27 -7.259 10.001 3.153 1.00 0.00 C ATOM 434 O PRO A 27 -6.486 9.832 4.096 1.00 0.00 O ATOM 435 CB PRO A 27 -6.555 11.639 1.386 1.00 0.00 C ATOM 436 CG PRO A 27 -5.384 12.351 1.969 1.00 0.00 C ATOM 437 CD PRO A 27 -5.927 13.190 3.093 1.00 0.00 C ATOM 0 HA PRO A 27 -8.549 11.418 2.311 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.255 10.702 0.917 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.041 12.240 0.617 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.640 11.644 2.334 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.893 12.972 1.220 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.208 13.285 3.907 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.168 14.200 2.761 1.00 0.00 H new ATOM 445 N TYR A 28 -7.934 9.008 2.583 1.00 0.00 N ATOM 446 CA TYR A 28 -7.803 7.632 3.046 1.00 0.00 C ATOM 447 C TYR A 28 -7.639 6.675 1.869 1.00 0.00 C ATOM 448 O TYR A 28 -7.998 6.999 0.736 1.00 0.00 O ATOM 449 CB TYR A 28 -9.023 7.232 3.877 1.00 0.00 C ATOM 450 CG TYR A 28 -10.327 7.312 3.114 1.00 0.00 C ATOM 451 CD1 TYR A 28 -10.994 8.522 2.965 1.00 0.00 C ATOM 452 CD2 TYR A 28 -10.892 6.178 2.544 1.00 0.00 C ATOM 453 CE1 TYR A 28 -12.185 8.599 2.270 1.00 0.00 C ATOM 454 CE2 TYR A 28 -12.082 6.246 1.846 1.00 0.00 C ATOM 455 CZ TYR A 28 -12.725 7.459 1.712 1.00 0.00 C ATOM 456 OH TYR A 28 -13.912 7.531 1.019 1.00 0.00 O ATOM 0 H TYR A 28 -8.577 9.131 1.800 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.911 7.569 3.670 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.886 6.214 4.241 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -9.084 7.878 4.753 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -10.574 9.417 3.400 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.392 5.226 2.648 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -12.691 9.547 2.164 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -12.506 5.355 1.408 1.00 0.00 H new ATOM 0 HH TYR A 28 -14.113 8.467 0.811 1.00 0.00 H new ATOM 466 N CYS A 29 -7.096 5.495 2.146 1.00 0.00 N ATOM 467 CA CYS A 29 -6.884 4.489 1.111 1.00 0.00 C ATOM 468 C CYS A 29 -7.886 3.347 1.249 1.00 0.00 C ATOM 469 O CYS A 29 -7.936 2.674 2.278 1.00 0.00 O ATOM 470 CB CYS A 29 -5.457 3.943 1.185 1.00 0.00 C ATOM 471 SG CYS A 29 -4.260 4.870 0.196 1.00 0.00 S ATOM 0 H CYS A 29 -6.795 5.211 3.078 1.00 0.00 H new ATOM 0 HA CYS A 29 -7.033 4.964 0.142 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.132 3.945 2.225 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.459 2.904 0.854 1.00 0.00 H new ATOM 0 HG CYS A 29 -3.726 5.805 0.925 1.00 0.00 H new ATOM 477 N ALA A 30 -8.683 3.136 0.206 1.00 0.00 N ATOM 478 CA ALA A 30 -9.683 2.076 0.211 1.00 0.00 C ATOM 479 C ALA A 30 -9.171 0.835 -0.511 1.00 0.00 C ATOM 480 O ALA A 30 -8.926 0.863 -1.718 1.00 0.00 O ATOM 481 CB ALA A 30 -10.974 2.566 -0.427 1.00 0.00 C ATOM 0 H ALA A 30 -8.655 3.685 -0.653 1.00 0.00 H new ATOM 0 HA ALA A 30 -9.883 1.804 1.247 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.712 1.764 -0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.356 3.419 0.134 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.780 2.867 -1.456 1.00 0.00 H new ATOM 487 N VAL A 31 -9.010 -0.254 0.234 1.00 0.00 N ATOM 488 CA VAL A 31 -8.527 -1.506 -0.336 1.00 0.00 C ATOM 489 C VAL A 31 -9.679 -2.467 -0.606 1.00 0.00 C ATOM 490 O VAL A 31 -10.156 -3.152 0.300 1.00 0.00 O ATOM 491 CB VAL A 31 -7.509 -2.191 0.595 1.00 0.00 C ATOM 492 CG1 VAL A 31 -7.019 -3.495 -0.017 1.00 0.00 C ATOM 493 CG2 VAL A 31 -6.343 -1.258 0.887 1.00 0.00 C ATOM 0 H VAL A 31 -9.207 -0.294 1.234 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.037 -1.257 -1.277 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.004 -2.423 1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.301 -3.965 0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.865 -4.165 -0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.540 -3.290 -0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.633 -1.758 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.847 -0.993 -0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.713 -0.354 1.371 1.00 0.00 H new ATOM 503 N LEU A 32 -10.122 -2.514 -1.858 1.00 0.00 N ATOM 504 CA LEU A 32 -11.219 -3.393 -2.249 1.00 0.00 C ATOM 505 C LEU A 32 -10.692 -4.741 -2.730 1.00 0.00 C ATOM 506 O LEU A 32 -10.225 -4.869 -3.862 1.00 0.00 O ATOM 507 CB LEU A 32 -12.056 -2.738 -3.349 1.00 0.00 C ATOM 508 CG LEU A 32 -12.789 -1.453 -2.959 1.00 0.00 C ATOM 509 CD1 LEU A 32 -11.894 -0.243 -3.171 1.00 0.00 C ATOM 510 CD2 LEU A 32 -14.078 -1.312 -3.756 1.00 0.00 C ATOM 0 H LEU A 32 -9.739 -1.954 -2.619 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.847 -3.561 -1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.402 -2.518 -4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.793 -3.462 -3.697 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.044 -1.509 -1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.432 0.662 -2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.999 -0.340 -2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.608 -0.182 -4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.586 -0.393 -3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.846 -1.278 -4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.726 -2.165 -3.553 1.00 0.00 H new ATOM 522 N VAL A 33 -10.771 -5.745 -1.863 1.00 0.00 N ATOM 523 CA VAL A 33 -10.305 -7.085 -2.200 1.00 0.00 C ATOM 524 C VAL A 33 -11.457 -7.963 -2.676 1.00 0.00 C ATOM 525 O VAL A 33 -12.388 -8.248 -1.923 1.00 0.00 O ATOM 526 CB VAL A 33 -9.622 -7.761 -0.996 1.00 0.00 C ATOM 527 CG1 VAL A 33 -8.982 -9.076 -1.415 1.00 0.00 C ATOM 528 CG2 VAL A 33 -8.591 -6.830 -0.377 1.00 0.00 C ATOM 0 H VAL A 33 -11.153 -5.656 -0.922 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.579 -6.975 -3.005 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.381 -7.977 -0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.504 -9.539 -0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -9.748 -9.744 -1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.235 -8.888 -2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.118 -7.324 0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.833 -6.581 -1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.082 -5.917 -0.039 1.00 0.00 H new ATOM 538 N LYS A 34 -11.387 -8.391 -3.932 1.00 0.00 N ATOM 539 CA LYS A 34 -12.422 -9.239 -4.511 1.00 0.00 C ATOM 540 C LYS A 34 -11.861 -10.611 -4.873 1.00 0.00 C ATOM 541 O LYS A 34 -10.647 -10.798 -4.938 1.00 0.00 O ATOM 542 CB LYS A 34 -13.017 -8.576 -5.755 1.00 0.00 C ATOM 543 CG LYS A 34 -13.355 -7.108 -5.558 1.00 0.00 C ATOM 544 CD LYS A 34 -13.846 -6.471 -6.848 1.00 0.00 C ATOM 545 CE LYS A 34 -13.586 -4.973 -6.864 1.00 0.00 C ATOM 546 NZ LYS A 34 -14.276 -4.302 -8.000 1.00 0.00 N ATOM 0 H LYS A 34 -10.623 -8.164 -4.569 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.207 -9.371 -3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.311 -8.670 -6.580 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.920 -9.112 -6.046 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.121 -7.010 -4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.474 -6.575 -5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.347 -6.937 -7.698 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.914 -6.657 -6.964 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.924 -4.536 -5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.513 -4.791 -6.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.074 -3.282 -7.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.935 -4.701 -8.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.302 -4.453 -7.921 1.00 0.00 H new ATOM 809 N PRO A 50 -16.056 -6.306 2.321 1.00 0.00 N ATOM 810 CA PRO A 50 -16.234 -4.903 1.933 1.00 0.00 C ATOM 811 C PRO A 50 -14.911 -4.149 1.862 1.00 0.00 C ATOM 812 O PRO A 50 -13.849 -4.710 2.131 1.00 0.00 O ATOM 813 CB PRO A 50 -17.114 -4.336 3.051 1.00 0.00 C ATOM 814 CG PRO A 50 -16.841 -5.208 4.227 1.00 0.00 C ATOM 815 CD PRO A 50 -16.572 -6.580 3.673 1.00 0.00 C ATOM 0 HA PRO A 50 -16.669 -4.807 0.938 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -16.864 -3.296 3.263 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -18.168 -4.361 2.776 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -15.985 -4.842 4.794 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -17.692 -5.222 4.908 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -15.846 -7.123 4.278 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -17.478 -7.186 3.643 1.00 0.00 H new ATOM 823 N THR A 51 -14.983 -2.872 1.497 1.00 0.00 N ATOM 824 CA THR A 51 -13.791 -2.040 1.389 1.00 0.00 C ATOM 825 C THR A 51 -12.984 -2.066 2.683 1.00 0.00 C ATOM 826 O THR A 51 -13.547 -2.117 3.775 1.00 0.00 O ATOM 827 CB THR A 51 -14.152 -0.582 1.051 1.00 0.00 C ATOM 828 OG1 THR A 51 -15.093 -0.548 -0.027 1.00 0.00 O ATOM 829 CG2 THR A 51 -12.909 0.210 0.672 1.00 0.00 C ATOM 0 H THR A 51 -15.854 -2.392 1.271 1.00 0.00 H new ATOM 0 HA THR A 51 -13.189 -2.453 0.580 1.00 0.00 H new ATOM 0 HB THR A 51 -14.597 -0.127 1.936 1.00 0.00 H new ATOM 0 HG1 THR A 51 -15.319 0.383 -0.235 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.189 1.237 0.437 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.207 0.207 1.506 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.439 -0.246 -0.199 1.00 0.00 H new ATOM 837 N MET A 52 -11.662 -2.028 2.551 1.00 0.00 N ATOM 838 CA MET A 52 -10.778 -2.045 3.711 1.00 0.00 C ATOM 839 C MET A 52 -10.076 -0.701 3.878 1.00 0.00 C ATOM 840 O MET A 52 -9.947 0.066 2.923 1.00 0.00 O ATOM 841 CB MET A 52 -9.742 -3.162 3.573 1.00 0.00 C ATOM 842 CG MET A 52 -10.194 -4.487 4.163 1.00 0.00 C ATOM 843 SD MET A 52 -8.813 -5.559 4.605 1.00 0.00 S ATOM 844 CE MET A 52 -7.858 -5.522 3.090 1.00 0.00 C ATOM 0 H MET A 52 -11.180 -1.985 1.653 1.00 0.00 H new ATOM 0 HA MET A 52 -11.385 -2.231 4.597 1.00 0.00 H new ATOM 0 HB2 MET A 52 -9.511 -3.304 2.517 1.00 0.00 H new ATOM 0 HB3 MET A 52 -8.819 -2.852 4.062 1.00 0.00 H new ATOM 0 HG2 MET A 52 -10.800 -4.298 5.049 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.832 -5.001 3.444 1.00 0.00 H new ATOM 0 HE1 MET A 52 -7.139 -6.341 3.093 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.526 -5.630 2.236 1.00 0.00 H new ATOM 0 HE3 MET A 52 -7.327 -4.573 3.018 1.00 0.00 H new ATOM 854 N TYR A 53 -9.623 -0.423 5.095 1.00 0.00 N ATOM 855 CA TYR A 53 -8.936 0.829 5.388 1.00 0.00 C ATOM 856 C TYR A 53 -7.669 0.579 6.199 1.00 0.00 C ATOM 857 O TYR A 53 -7.660 0.645 7.429 1.00 0.00 O ATOM 858 CB TYR A 53 -9.863 1.778 6.149 1.00 0.00 C ATOM 859 CG TYR A 53 -11.090 2.186 5.364 1.00 0.00 C ATOM 860 CD1 TYR A 53 -10.973 2.810 4.128 1.00 0.00 C ATOM 861 CD2 TYR A 53 -12.366 1.945 5.858 1.00 0.00 C ATOM 862 CE1 TYR A 53 -12.090 3.185 3.408 1.00 0.00 C ATOM 863 CE2 TYR A 53 -13.490 2.314 5.144 1.00 0.00 C ATOM 864 CZ TYR A 53 -13.347 2.934 3.920 1.00 0.00 C ATOM 865 OH TYR A 53 -14.463 3.305 3.205 1.00 0.00 O ATOM 0 H TYR A 53 -9.719 -1.048 5.895 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.654 1.289 4.441 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.178 1.299 7.076 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -9.305 2.673 6.426 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -9.991 3.005 3.723 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -12.481 1.461 6.817 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -11.981 3.672 2.450 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.475 2.118 5.542 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.269 3.056 3.704 1.00 0.00 H new ATOM 875 N PRO A 54 -6.566 0.285 5.496 1.00 0.00 N ATOM 876 CA PRO A 54 -5.326 0.038 6.239 1.00 0.00 C ATOM 877 C PRO A 54 -4.774 1.306 6.881 1.00 0.00 C ATOM 878 O PRO A 54 -5.200 2.422 6.585 1.00 0.00 O ATOM 879 CB PRO A 54 -4.366 -0.480 5.165 1.00 0.00 C ATOM 880 CG PRO A 54 -4.882 0.090 3.889 1.00 0.00 C ATOM 881 CD PRO A 54 -6.376 0.161 4.041 1.00 0.00 C ATOM 0 HA PRO A 54 -5.477 -0.657 7.065 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.343 -0.156 5.358 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.355 -1.570 5.136 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.461 1.078 3.705 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.605 -0.537 3.041 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.794 1.014 3.507 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.863 -0.731 3.647 1.00 0.00 H new ATOM 889 N PRO A 55 -3.798 1.135 7.785 1.00 0.00 N ATOM 890 CA PRO A 55 -3.241 2.331 8.424 1.00 0.00 C ATOM 891 C PRO A 55 -2.418 3.175 7.456 1.00 0.00 C ATOM 892 O PRO A 55 -2.312 2.853 6.273 1.00 0.00 O ATOM 893 CB PRO A 55 -2.347 1.759 9.528 1.00 0.00 C ATOM 894 CG PRO A 55 -1.978 0.398 9.050 1.00 0.00 C ATOM 895 CD PRO A 55 -3.161 -0.102 8.268 1.00 0.00 C ATOM 0 HA PRO A 55 -4.021 2.998 8.791 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.463 2.378 9.682 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.874 1.714 10.481 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.085 0.432 8.427 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.757 -0.263 9.888 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.855 -0.745 7.443 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.838 -0.685 8.892 1.00 0.00 H new ATOM 903 N TRP A 56 -1.837 4.254 7.967 1.00 0.00 N ATOM 904 CA TRP A 56 -1.023 5.144 7.147 1.00 0.00 C ATOM 905 C TRP A 56 0.459 4.969 7.460 1.00 0.00 C ATOM 906 O TRP A 56 0.873 5.054 8.616 1.00 0.00 O ATOM 907 CB TRP A 56 -1.436 6.600 7.373 1.00 0.00 C ATOM 908 CG TRP A 56 -2.540 7.052 6.466 1.00 0.00 C ATOM 909 CD1 TRP A 56 -3.770 7.514 6.839 1.00 0.00 C ATOM 910 CD2 TRP A 56 -2.514 7.083 5.035 1.00 0.00 C ATOM 911 NE1 TRP A 56 -4.511 7.830 5.726 1.00 0.00 N ATOM 912 CE2 TRP A 56 -3.763 7.576 4.607 1.00 0.00 C ATOM 913 CE3 TRP A 56 -1.558 6.745 4.074 1.00 0.00 C ATOM 914 CZ2 TRP A 56 -4.077 7.737 3.260 1.00 0.00 C ATOM 915 CZ3 TRP A 56 -1.871 6.905 2.737 1.00 0.00 C ATOM 916 CH2 TRP A 56 -3.122 7.398 2.340 1.00 0.00 C ATOM 0 H TRP A 56 -1.914 4.534 8.945 1.00 0.00 H new ATOM 0 HA TRP A 56 -1.187 4.885 6.101 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -1.753 6.724 8.409 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -0.568 7.243 7.226 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -4.110 7.616 7.859 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.464 8.195 5.732 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -0.591 6.365 4.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -5.040 8.116 2.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.140 6.646 1.986 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -3.336 7.513 1.288 1.00 0.00 H new ATOM 927 N ASP A 57 1.253 4.724 6.424 1.00 0.00 N ATOM 928 CA ASP A 57 2.690 4.538 6.588 1.00 0.00 C ATOM 929 C ASP A 57 2.984 3.314 7.450 1.00 0.00 C ATOM 930 O ASP A 57 4.026 3.237 8.101 1.00 0.00 O ATOM 931 CB ASP A 57 3.318 5.783 7.217 1.00 0.00 C ATOM 932 CG ASP A 57 4.764 5.972 6.805 1.00 0.00 C ATOM 933 OD1 ASP A 57 5.391 4.985 6.365 1.00 0.00 O ATOM 934 OD2 ASP A 57 5.270 7.108 6.921 1.00 0.00 O ATOM 0 H ASP A 57 0.926 4.649 5.461 1.00 0.00 H new ATOM 0 HA ASP A 57 3.126 4.379 5.602 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.743 6.662 6.928 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.259 5.707 8.303 1.00 0.00 H new ATOM 939 N SER A 58 2.058 2.360 7.450 1.00 0.00 N ATOM 940 CA SER A 58 2.216 1.142 8.235 1.00 0.00 C ATOM 941 C SER A 58 1.992 -0.095 7.370 1.00 0.00 C ATOM 942 O SER A 58 1.661 0.010 6.189 1.00 0.00 O ATOM 943 CB SER A 58 1.238 1.138 9.412 1.00 0.00 C ATOM 944 OG SER A 58 1.796 1.790 10.540 1.00 0.00 O ATOM 0 H SER A 58 1.191 2.408 6.915 1.00 0.00 H new ATOM 0 HA SER A 58 3.236 1.117 8.619 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.312 1.635 9.122 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.981 0.111 9.672 1.00 0.00 H new ATOM 0 HG SER A 58 1.151 1.776 11.278 1.00 0.00 H new ATOM 950 N THR A 59 2.176 -1.268 7.967 1.00 0.00 N ATOM 951 CA THR A 59 1.996 -2.526 7.253 1.00 0.00 C ATOM 952 C THR A 59 0.764 -3.271 7.754 1.00 0.00 C ATOM 953 O THR A 59 0.445 -3.235 8.942 1.00 0.00 O ATOM 954 CB THR A 59 3.229 -3.438 7.401 1.00 0.00 C ATOM 955 OG1 THR A 59 3.838 -3.234 8.681 1.00 0.00 O ATOM 956 CG2 THR A 59 4.243 -3.159 6.302 1.00 0.00 C ATOM 0 H THR A 59 2.450 -1.373 8.944 1.00 0.00 H new ATOM 0 HA THR A 59 1.863 -2.276 6.201 1.00 0.00 H new ATOM 0 HB THR A 59 2.900 -4.474 7.316 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.762 -2.930 8.559 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.105 -3.815 6.427 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.786 -3.342 5.330 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.566 -2.120 6.361 1.00 0.00 H new ATOM 964 N PHE A 60 0.076 -3.948 6.840 1.00 0.00 N ATOM 965 CA PHE A 60 -1.122 -4.702 7.189 1.00 0.00 C ATOM 966 C PHE A 60 -1.036 -6.133 6.666 1.00 0.00 C ATOM 967 O PHE A 60 -0.305 -6.414 5.716 1.00 0.00 O ATOM 968 CB PHE A 60 -2.367 -4.014 6.624 1.00 0.00 C ATOM 969 CG PHE A 60 -2.378 -3.933 5.124 1.00 0.00 C ATOM 970 CD1 PHE A 60 -2.898 -4.968 4.365 1.00 0.00 C ATOM 971 CD2 PHE A 60 -1.866 -2.822 4.474 1.00 0.00 C ATOM 972 CE1 PHE A 60 -2.910 -4.897 2.985 1.00 0.00 C ATOM 973 CE2 PHE A 60 -1.876 -2.744 3.094 1.00 0.00 C ATOM 974 CZ PHE A 60 -2.397 -3.784 2.348 1.00 0.00 C ATOM 0 H PHE A 60 0.328 -3.990 5.852 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.196 -4.735 8.276 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.253 -4.554 6.957 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.434 -3.007 7.035 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.299 -5.841 4.858 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.454 -2.008 5.052 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.320 -5.711 2.405 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.477 -1.871 2.599 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.403 -3.727 1.270 1.00 0.00 H new ATOM 984 N ASP A 61 -1.787 -7.032 7.293 1.00 0.00 N ATOM 985 CA ASP A 61 -1.796 -8.433 6.891 1.00 0.00 C ATOM 986 C ASP A 61 -2.852 -8.684 5.819 1.00 0.00 C ATOM 987 O ASP A 61 -3.958 -8.149 5.886 1.00 0.00 O ATOM 988 CB ASP A 61 -2.058 -9.331 8.101 1.00 0.00 C ATOM 989 CG ASP A 61 -3.420 -9.087 8.720 1.00 0.00 C ATOM 990 OD1 ASP A 61 -3.609 -8.016 9.333 1.00 0.00 O ATOM 991 OD2 ASP A 61 -4.297 -9.967 8.592 1.00 0.00 O ATOM 0 H ASP A 61 -2.397 -6.815 8.081 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.817 -8.672 6.475 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.982 -10.375 7.798 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.286 -9.160 8.851 1.00 0.00 H new ATOM 996 N ALA A 62 -2.502 -9.501 4.830 1.00 0.00 N ATOM 997 CA ALA A 62 -3.420 -9.823 3.744 1.00 0.00 C ATOM 998 C ALA A 62 -3.309 -11.292 3.349 1.00 0.00 C ATOM 999 O ALA A 62 -2.288 -11.726 2.814 1.00 0.00 O ATOM 1000 CB ALA A 62 -3.150 -8.929 2.543 1.00 0.00 C ATOM 0 H ALA A 62 -1.590 -9.952 4.759 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.436 -9.644 4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.842 -9.180 1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.287 -7.886 2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.126 -9.080 2.200 1.00 0.00 H new ATOM 1006 N HIS A 63 -4.365 -12.053 3.618 1.00 0.00 N ATOM 1007 CA HIS A 63 -4.385 -13.474 3.290 1.00 0.00 C ATOM 1008 C HIS A 63 -4.014 -13.700 1.828 1.00 0.00 C ATOM 1009 O HIS A 63 -4.300 -12.865 0.969 1.00 0.00 O ATOM 1010 CB HIS A 63 -5.766 -14.065 3.575 1.00 0.00 C ATOM 1011 CG HIS A 63 -6.893 -13.249 3.020 1.00 0.00 C ATOM 1012 ND1 HIS A 63 -7.662 -12.404 3.792 1.00 0.00 N ATOM 1013 CD2 HIS A 63 -7.377 -13.150 1.760 1.00 0.00 C ATOM 1014 CE1 HIS A 63 -8.573 -11.823 3.031 1.00 0.00 C ATOM 1015 NE2 HIS A 63 -8.421 -12.258 1.793 1.00 0.00 N ATOM 0 H HIS A 63 -5.217 -11.710 4.062 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.647 -13.976 3.915 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.815 -15.070 3.156 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.895 -14.162 4.653 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.546 -12.251 4.794 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.010 -13.675 0.890 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -9.316 -11.113 3.365 1.00 0.00 H new ATOM 1023 N ILE A 64 -3.376 -14.833 1.552 1.00 0.00 N ATOM 1024 CA ILE A 64 -2.967 -15.167 0.194 1.00 0.00 C ATOM 1025 C ILE A 64 -3.933 -16.160 -0.443 1.00 0.00 C ATOM 1026 O ILE A 64 -4.335 -17.140 0.183 1.00 0.00 O ATOM 1027 CB ILE A 64 -1.546 -15.761 0.164 1.00 0.00 C ATOM 1028 CG1 ILE A 64 -0.555 -14.801 0.826 1.00 0.00 C ATOM 1029 CG2 ILE A 64 -1.126 -16.060 -1.267 1.00 0.00 C ATOM 1030 CD1 ILE A 64 0.829 -15.387 1.000 1.00 0.00 C ATOM 0 H ILE A 64 -3.132 -15.534 2.251 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.976 -14.238 -0.375 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.547 -16.696 0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.484 -13.894 0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.942 -14.508 1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.120 -16.479 -1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.819 -16.777 -1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.138 -15.139 -1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.478 -14.652 1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.771 -16.278 1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.236 -15.654 0.025 1.00 0.00 H new ATOM 1042 N ASN A 65 -4.302 -15.899 -1.693 1.00 0.00 N ATOM 1043 CA ASN A 65 -5.222 -16.771 -2.416 1.00 0.00 C ATOM 1044 C ASN A 65 -4.685 -17.093 -3.807 1.00 0.00 C ATOM 1045 O ASN A 65 -3.602 -16.646 -4.186 1.00 0.00 O ATOM 1046 CB ASN A 65 -6.599 -16.113 -2.528 1.00 0.00 C ATOM 1047 CG ASN A 65 -7.726 -17.127 -2.519 1.00 0.00 C ATOM 1048 OD1 ASN A 65 -7.760 -18.027 -1.679 1.00 0.00 O ATOM 1049 ND2 ASN A 65 -8.655 -16.987 -3.457 1.00 0.00 N ATOM 0 H ASN A 65 -3.979 -15.092 -2.226 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.316 -17.702 -1.858 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -6.734 -15.416 -1.701 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.646 -15.529 -3.447 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.437 -17.640 -3.502 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.587 -16.226 -4.133 1.00 0.00 H new ATOM 1056 N LYS A 66 -5.450 -17.871 -4.565 1.00 0.00 N ATOM 1057 CA LYS A 66 -5.054 -18.253 -5.915 1.00 0.00 C ATOM 1058 C LYS A 66 -6.034 -17.702 -6.946 1.00 0.00 C ATOM 1059 O LYS A 66 -6.304 -18.339 -7.963 1.00 0.00 O ATOM 1060 CB LYS A 66 -4.976 -19.776 -6.034 1.00 0.00 C ATOM 1061 CG LYS A 66 -6.074 -20.503 -5.278 1.00 0.00 C ATOM 1062 CD LYS A 66 -7.446 -20.195 -5.855 1.00 0.00 C ATOM 1063 CE LYS A 66 -8.493 -21.180 -5.358 1.00 0.00 C ATOM 1064 NZ LYS A 66 -8.637 -21.136 -3.877 1.00 0.00 N ATOM 0 H LYS A 66 -6.349 -18.250 -4.267 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.070 -17.828 -6.112 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.027 -20.053 -7.087 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.008 -20.112 -5.663 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.894 -21.577 -5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.047 -20.214 -4.227 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.739 -19.182 -5.580 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.400 -20.229 -6.944 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.453 -20.955 -5.823 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -8.218 -22.189 -5.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.449 -21.719 -3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.772 -21.505 -3.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.791 -20.154 -3.572 1.00 0.00 H new ATOM 1078 N GLY A 67 -6.564 -16.512 -6.676 1.00 0.00 N ATOM 1079 CA GLY A 67 -7.507 -15.895 -7.590 1.00 0.00 C ATOM 1080 C GLY A 67 -8.154 -14.655 -7.006 1.00 0.00 C ATOM 1081 O GLY A 67 -9.334 -14.394 -7.240 1.00 0.00 O ATOM 0 H GLY A 67 -6.357 -15.965 -5.840 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.993 -15.632 -8.514 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.281 -16.617 -7.850 1.00 0.00 H new ATOM 1085 N ARG A 68 -7.381 -13.890 -6.242 1.00 0.00 N ATOM 1086 CA ARG A 68 -7.887 -12.672 -5.620 1.00 0.00 C ATOM 1087 C ARG A 68 -7.411 -11.436 -6.379 1.00 0.00 C ATOM 1088 O ARG A 68 -6.583 -11.531 -7.285 1.00 0.00 O ATOM 1089 CB ARG A 68 -7.435 -12.594 -4.161 1.00 0.00 C ATOM 1090 CG ARG A 68 -8.412 -11.857 -3.259 1.00 0.00 C ATOM 1091 CD ARG A 68 -8.159 -12.168 -1.792 1.00 0.00 C ATOM 1092 NE ARG A 68 -9.383 -12.097 -0.999 1.00 0.00 N ATOM 1093 CZ ARG A 68 -10.383 -12.965 -1.111 1.00 0.00 C ATOM 1094 NH1 ARG A 68 -10.303 -13.964 -1.980 1.00 0.00 N ATOM 1095 NH2 ARG A 68 -11.464 -12.834 -0.354 1.00 0.00 N ATOM 0 H ARG A 68 -6.402 -14.092 -6.039 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.976 -12.701 -5.654 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.293 -13.605 -3.779 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.466 -12.097 -4.116 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.323 -10.783 -3.425 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.432 -12.137 -3.521 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.726 -13.164 -1.702 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.427 -11.465 -1.393 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.476 -11.340 -0.322 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.473 -14.067 -2.564 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.072 -14.629 -2.064 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.528 -12.067 0.315 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.231 -13.501 -0.441 1.00 0.00 H new ATOM 1109 N VAL A 69 -7.942 -10.277 -6.002 1.00 0.00 N ATOM 1110 CA VAL A 69 -7.571 -9.022 -6.646 1.00 0.00 C ATOM 1111 C VAL A 69 -7.716 -7.848 -5.684 1.00 0.00 C ATOM 1112 O VAL A 69 -8.760 -7.672 -5.056 1.00 0.00 O ATOM 1113 CB VAL A 69 -8.432 -8.757 -7.896 1.00 0.00 C ATOM 1114 CG1 VAL A 69 -8.019 -9.679 -9.033 1.00 0.00 C ATOM 1115 CG2 VAL A 69 -9.908 -8.926 -7.571 1.00 0.00 C ATOM 0 H VAL A 69 -8.630 -10.181 -5.255 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.527 -9.116 -6.946 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.270 -7.728 -8.217 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.638 -9.478 -9.908 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.972 -9.504 -9.281 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.151 -10.717 -8.726 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.502 -8.735 -8.465 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.090 -9.943 -7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.192 -8.221 -6.790 1.00 0.00 H new ATOM 1125 N MET A 70 -6.661 -7.047 -5.575 1.00 0.00 N ATOM 1126 CA MET A 70 -6.672 -5.887 -4.691 1.00 0.00 C ATOM 1127 C MET A 70 -6.796 -4.594 -5.491 1.00 0.00 C ATOM 1128 O MET A 70 -6.197 -4.454 -6.556 1.00 0.00 O ATOM 1129 CB MET A 70 -5.399 -5.854 -3.842 1.00 0.00 C ATOM 1130 CG MET A 70 -5.229 -4.568 -3.051 1.00 0.00 C ATOM 1131 SD MET A 70 -4.208 -4.786 -1.581 1.00 0.00 S ATOM 1132 CE MET A 70 -2.657 -5.296 -2.319 1.00 0.00 C ATOM 0 H MET A 70 -5.789 -7.180 -6.087 1.00 0.00 H new ATOM 0 HA MET A 70 -7.537 -5.971 -4.034 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.411 -6.697 -3.151 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.535 -5.988 -4.493 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.780 -3.809 -3.691 1.00 0.00 H new ATOM 0 HG3 MET A 70 -6.210 -4.196 -2.755 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.966 -5.606 -1.535 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.834 -6.130 -2.998 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.226 -4.462 -2.874 1.00 0.00 H new ATOM 1142 N GLN A 71 -7.578 -3.654 -4.970 1.00 0.00 N ATOM 1143 CA GLN A 71 -7.781 -2.374 -5.638 1.00 0.00 C ATOM 1144 C GLN A 71 -7.708 -1.222 -4.641 1.00 0.00 C ATOM 1145 O GLN A 71 -8.607 -1.044 -3.818 1.00 0.00 O ATOM 1146 CB GLN A 71 -9.131 -2.358 -6.356 1.00 0.00 C ATOM 1147 CG GLN A 71 -9.327 -1.148 -7.256 1.00 0.00 C ATOM 1148 CD GLN A 71 -10.731 -1.063 -7.822 1.00 0.00 C ATOM 1149 OE1 GLN A 71 -11.619 -1.820 -7.428 1.00 0.00 O ATOM 1150 NE2 GLN A 71 -10.940 -0.139 -8.753 1.00 0.00 N ATOM 0 H GLN A 71 -8.081 -3.755 -4.088 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.986 -2.246 -6.372 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.226 -3.264 -6.954 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.929 -2.381 -5.613 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.112 -0.241 -6.691 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.611 -1.190 -8.076 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.176 0.468 -9.050 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.865 -0.036 -9.171 1.00 0.00 H new ATOM 1159 N ILE A 72 -6.634 -0.445 -4.720 1.00 0.00 N ATOM 1160 CA ILE A 72 -6.445 0.690 -3.824 1.00 0.00 C ATOM 1161 C ILE A 72 -7.012 1.969 -4.431 1.00 0.00 C ATOM 1162 O ILE A 72 -6.539 2.440 -5.466 1.00 0.00 O ATOM 1163 CB ILE A 72 -4.956 0.907 -3.496 1.00 0.00 C ATOM 1164 CG1 ILE A 72 -4.342 -0.379 -2.940 1.00 0.00 C ATOM 1165 CG2 ILE A 72 -4.793 2.050 -2.506 1.00 0.00 C ATOM 1166 CD1 ILE A 72 -2.844 -0.297 -2.741 1.00 0.00 C ATOM 0 H ILE A 72 -5.881 -0.580 -5.395 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.981 0.458 -2.904 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.431 1.171 -4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.815 -0.615 -1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.566 -1.202 -3.619 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.735 2.191 -2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.199 2.965 -2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.328 1.814 -1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.477 -1.244 -2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.361 -0.092 -3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.614 0.504 -2.039 1.00 0.00 H new ATOM 1178 N ILE A 73 -8.026 2.528 -3.779 1.00 0.00 N ATOM 1179 CA ILE A 73 -8.655 3.755 -4.252 1.00 0.00 C ATOM 1180 C ILE A 73 -8.636 4.834 -3.175 1.00 0.00 C ATOM 1181 O ILE A 73 -9.140 4.632 -2.070 1.00 0.00 O ATOM 1182 CB ILE A 73 -10.111 3.508 -4.690 1.00 0.00 C ATOM 1183 CG1 ILE A 73 -10.170 2.396 -5.739 1.00 0.00 C ATOM 1184 CG2 ILE A 73 -10.725 4.789 -5.233 1.00 0.00 C ATOM 1185 CD1 ILE A 73 -11.575 1.929 -6.047 1.00 0.00 C ATOM 0 H ILE A 73 -8.430 2.151 -2.922 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.078 4.094 -5.112 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.687 3.192 -3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.704 2.750 -6.658 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -9.582 1.547 -5.390 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.754 4.598 -5.538 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.713 5.555 -4.458 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -10.149 5.133 -6.092 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -11.540 1.140 -6.798 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.038 1.544 -5.138 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -12.162 2.766 -6.426 1.00 0.00 H new ATOM 1197 N VAL A 74 -8.051 5.981 -3.505 1.00 0.00 N ATOM 1198 CA VAL A 74 -7.969 7.094 -2.567 1.00 0.00 C ATOM 1199 C VAL A 74 -9.088 8.101 -2.808 1.00 0.00 C ATOM 1200 O VAL A 74 -9.141 8.748 -3.854 1.00 0.00 O ATOM 1201 CB VAL A 74 -6.612 7.816 -2.671 1.00 0.00 C ATOM 1202 CG1 VAL A 74 -6.483 8.870 -1.581 1.00 0.00 C ATOM 1203 CG2 VAL A 74 -5.469 6.816 -2.595 1.00 0.00 C ATOM 0 H VAL A 74 -7.627 6.164 -4.415 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.073 6.673 -1.567 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.561 8.318 -3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.518 9.370 -1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.283 9.603 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.556 8.393 -0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.518 7.344 -2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.514 6.283 -1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.554 6.103 -3.415 1.00 0.00 H new ATOM 1213 N LYS A 75 -9.982 8.229 -1.833 1.00 0.00 N ATOM 1214 CA LYS A 75 -11.100 9.158 -1.937 1.00 0.00 C ATOM 1215 C LYS A 75 -11.028 10.222 -0.847 1.00 0.00 C ATOM 1216 O LYS A 75 -10.086 10.250 -0.055 1.00 0.00 O ATOM 1217 CB LYS A 75 -12.428 8.403 -1.840 1.00 0.00 C ATOM 1218 CG LYS A 75 -12.477 7.146 -2.692 1.00 0.00 C ATOM 1219 CD LYS A 75 -12.003 5.928 -1.916 1.00 0.00 C ATOM 1220 CE LYS A 75 -13.156 5.240 -1.202 1.00 0.00 C ATOM 1221 NZ LYS A 75 -14.039 4.508 -2.153 1.00 0.00 N ATOM 0 H LYS A 75 -9.953 7.700 -0.961 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.039 9.652 -2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.608 8.134 -0.799 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.237 9.068 -2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.496 6.982 -3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.854 7.280 -3.576 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.524 5.225 -2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.250 6.229 -1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.761 4.543 -0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.742 5.982 -0.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.627 3.830 -1.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.651 5.186 -2.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.455 3.997 -2.845 1.00 0.00 H new ATOM 1325 N ILE A 82 -10.513 10.117 -6.664 1.00 0.00 N ATOM 1326 CA ILE A 82 -9.260 10.719 -7.101 1.00 0.00 C ATOM 1327 C ILE A 82 -8.564 9.846 -8.140 1.00 0.00 C ATOM 1328 O ILE A 82 -8.227 10.310 -9.230 1.00 0.00 O ATOM 1329 CB ILE A 82 -8.303 10.948 -5.916 1.00 0.00 C ATOM 1330 CG1 ILE A 82 -8.975 11.814 -4.849 1.00 0.00 C ATOM 1331 CG2 ILE A 82 -7.012 11.596 -6.396 1.00 0.00 C ATOM 1332 CD1 ILE A 82 -8.185 11.910 -3.563 1.00 0.00 C ATOM 0 HA ILE A 82 -9.510 11.681 -7.547 1.00 0.00 H new ATOM 0 HB ILE A 82 -8.060 9.982 -5.473 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -9.126 12.817 -5.249 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -9.962 11.406 -4.630 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.346 11.752 -5.548 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.527 10.945 -7.124 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.238 12.556 -6.861 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.721 12.539 -2.853 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -8.056 10.914 -3.140 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.207 12.346 -3.768 1.00 0.00 H new ATOM 1344 N SER A 83 -8.353 8.580 -7.796 1.00 0.00 N ATOM 1345 CA SER A 83 -7.696 7.642 -8.699 1.00 0.00 C ATOM 1346 C SER A 83 -7.970 6.201 -8.280 1.00 0.00 C ATOM 1347 O SER A 83 -8.692 5.952 -7.315 1.00 0.00 O ATOM 1348 CB SER A 83 -6.188 7.899 -8.726 1.00 0.00 C ATOM 1349 OG SER A 83 -5.597 7.597 -7.474 1.00 0.00 O ATOM 0 H SER A 83 -8.627 8.180 -6.899 1.00 0.00 H new ATOM 0 HA SER A 83 -8.102 7.794 -9.699 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.726 7.293 -9.505 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.998 8.942 -8.979 1.00 0.00 H new ATOM 0 HG SER A 83 -4.675 7.929 -7.459 1.00 0.00 H new ATOM 1355 N GLU A 84 -7.388 5.257 -9.013 1.00 0.00 N ATOM 1356 CA GLU A 84 -7.571 3.841 -8.718 1.00 0.00 C ATOM 1357 C GLU A 84 -6.443 3.009 -9.323 1.00 0.00 C ATOM 1358 O GLU A 84 -5.758 3.449 -10.247 1.00 0.00 O ATOM 1359 CB GLU A 84 -8.920 3.356 -9.251 1.00 0.00 C ATOM 1360 CG GLU A 84 -9.013 3.361 -10.768 1.00 0.00 C ATOM 1361 CD GLU A 84 -10.435 3.536 -11.264 1.00 0.00 C ATOM 1362 OE1 GLU A 84 -11.079 4.534 -10.879 1.00 0.00 O ATOM 1363 OE2 GLU A 84 -10.904 2.675 -12.038 1.00 0.00 O ATOM 0 H GLU A 84 -6.786 5.447 -9.815 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.551 3.716 -7.635 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.102 2.345 -8.888 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.710 3.988 -8.845 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.392 4.165 -11.164 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.609 2.426 -11.156 1.00 0.00 H new ATOM 1370 N THR A 85 -6.256 1.803 -8.795 1.00 0.00 N ATOM 1371 CA THR A 85 -5.212 0.910 -9.281 1.00 0.00 C ATOM 1372 C THR A 85 -5.585 -0.550 -9.048 1.00 0.00 C ATOM 1373 O THR A 85 -6.347 -0.869 -8.135 1.00 0.00 O ATOM 1374 CB THR A 85 -3.863 1.199 -8.597 1.00 0.00 C ATOM 1375 OG1 THR A 85 -2.843 0.362 -9.153 1.00 0.00 O ATOM 1376 CG2 THR A 85 -3.956 0.965 -7.097 1.00 0.00 C ATOM 0 H THR A 85 -6.814 1.423 -8.031 1.00 0.00 H new ATOM 0 HA THR A 85 -5.114 1.091 -10.351 1.00 0.00 H new ATOM 0 HB THR A 85 -3.609 2.245 -8.771 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.988 0.553 -8.714 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.991 1.175 -6.635 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.713 1.624 -6.672 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.230 -0.073 -6.907 1.00 0.00 H new ATOM 1384 N THR A 86 -5.043 -1.434 -9.880 1.00 0.00 N ATOM 1385 CA THR A 86 -5.319 -2.861 -9.765 1.00 0.00 C ATOM 1386 C THR A 86 -4.040 -3.650 -9.511 1.00 0.00 C ATOM 1387 O THR A 86 -2.984 -3.333 -10.060 1.00 0.00 O ATOM 1388 CB THR A 86 -6.002 -3.405 -11.033 1.00 0.00 C ATOM 1389 OG1 THR A 86 -5.550 -2.680 -12.182 1.00 0.00 O ATOM 1390 CG2 THR A 86 -7.515 -3.297 -10.922 1.00 0.00 C ATOM 0 H THR A 86 -4.410 -1.187 -10.641 1.00 0.00 H new ATOM 0 HA THR A 86 -5.993 -2.985 -8.917 1.00 0.00 H new ATOM 0 HB THR A 86 -5.736 -4.457 -11.139 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.988 -3.033 -12.985 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.975 -3.687 -11.830 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.859 -3.874 -10.064 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.797 -2.252 -10.793 1.00 0.00 H new ATOM 1398 N VAL A 87 -4.140 -4.680 -8.677 1.00 0.00 N ATOM 1399 CA VAL A 87 -2.991 -5.516 -8.353 1.00 0.00 C ATOM 1400 C VAL A 87 -3.431 -6.901 -7.892 1.00 0.00 C ATOM 1401 O VAL A 87 -4.313 -7.031 -7.044 1.00 0.00 O ATOM 1402 CB VAL A 87 -2.122 -4.874 -7.255 1.00 0.00 C ATOM 1403 CG1 VAL A 87 -2.955 -4.582 -6.017 1.00 0.00 C ATOM 1404 CG2 VAL A 87 -0.943 -5.774 -6.915 1.00 0.00 C ATOM 0 H VAL A 87 -5.006 -4.955 -8.213 1.00 0.00 H new ATOM 0 HA VAL A 87 -2.401 -5.610 -9.265 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.731 -3.929 -7.631 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.324 -4.129 -5.252 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.762 -3.896 -6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.377 -5.511 -5.635 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.340 -5.305 -6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.311 -6.736 -6.558 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.333 -5.926 -7.805 1.00 0.00 H new ATOM 1414 N GLU A 88 -2.810 -7.932 -8.457 1.00 0.00 N ATOM 1415 CA GLU A 88 -3.139 -9.307 -8.103 1.00 0.00 C ATOM 1416 C GLU A 88 -2.389 -9.740 -6.846 1.00 0.00 C ATOM 1417 O GLU A 88 -1.158 -9.767 -6.822 1.00 0.00 O ATOM 1418 CB GLU A 88 -2.802 -10.250 -9.261 1.00 0.00 C ATOM 1419 CG GLU A 88 -3.913 -10.372 -10.289 1.00 0.00 C ATOM 1420 CD GLU A 88 -3.408 -10.836 -11.642 1.00 0.00 C ATOM 1421 OE1 GLU A 88 -2.806 -11.929 -11.706 1.00 0.00 O ATOM 1422 OE2 GLU A 88 -3.614 -10.108 -12.635 1.00 0.00 O ATOM 0 H GLU A 88 -2.077 -7.841 -9.161 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.209 -9.357 -7.902 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.898 -9.895 -9.756 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.579 -11.239 -8.860 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.664 -11.074 -9.925 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.407 -9.407 -10.401 1.00 0.00 H new ATOM 1429 N LEU A 89 -3.140 -10.078 -5.804 1.00 0.00 N ATOM 1430 CA LEU A 89 -2.549 -10.509 -4.542 1.00 0.00 C ATOM 1431 C LEU A 89 -1.918 -11.891 -4.680 1.00 0.00 C ATOM 1432 O LEU A 89 -0.990 -12.237 -3.949 1.00 0.00 O ATOM 1433 CB LEU A 89 -3.608 -10.527 -3.439 1.00 0.00 C ATOM 1434 CG LEU A 89 -4.077 -9.161 -2.936 1.00 0.00 C ATOM 1435 CD1 LEU A 89 -5.520 -9.234 -2.460 1.00 0.00 C ATOM 1436 CD2 LEU A 89 -3.170 -8.664 -1.820 1.00 0.00 C ATOM 0 H LEU A 89 -4.160 -10.062 -5.808 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.767 -9.798 -4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.476 -11.075 -3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.212 -11.087 -2.592 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.024 -8.453 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.836 -8.253 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.160 -9.545 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.599 -9.956 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.518 -7.691 -1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.191 -9.372 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.150 -8.572 -2.194 1.00 0.00 H new ATOM 1448 N TYR A 90 -2.427 -12.675 -5.624 1.00 0.00 N ATOM 1449 CA TYR A 90 -1.914 -14.020 -5.858 1.00 0.00 C ATOM 1450 C TYR A 90 -0.484 -13.973 -6.389 1.00 0.00 C ATOM 1451 O TYR A 90 0.462 -14.332 -5.688 1.00 0.00 O ATOM 1452 CB TYR A 90 -2.812 -14.766 -6.847 1.00 0.00 C ATOM 1453 CG TYR A 90 -2.243 -16.091 -7.302 1.00 0.00 C ATOM 1454 CD1 TYR A 90 -1.644 -16.959 -6.398 1.00 0.00 C ATOM 1455 CD2 TYR A 90 -2.305 -16.474 -8.636 1.00 0.00 C ATOM 1456 CE1 TYR A 90 -1.122 -18.170 -6.809 1.00 0.00 C ATOM 1457 CE2 TYR A 90 -1.786 -17.684 -9.056 1.00 0.00 C ATOM 1458 CZ TYR A 90 -1.196 -18.528 -8.139 1.00 0.00 C ATOM 1459 OH TYR A 90 -0.678 -19.734 -8.552 1.00 0.00 O ATOM 0 H TYR A 90 -3.194 -12.403 -6.239 1.00 0.00 H new ATOM 0 HA TYR A 90 -1.912 -14.551 -4.906 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -3.784 -14.937 -6.384 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -2.981 -14.134 -7.719 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -1.585 -16.682 -5.356 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.766 -15.815 -9.357 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.659 -18.833 -6.093 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.842 -17.967 -10.097 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.812 -19.834 -9.518 1.00 0.00 H new ATOM 1469 N SER A 91 -0.336 -13.526 -7.632 1.00 0.00 N ATOM 1470 CA SER A 91 0.978 -13.434 -8.259 1.00 0.00 C ATOM 1471 C SER A 91 1.928 -12.597 -7.409 1.00 0.00 C ATOM 1472 O SER A 91 3.133 -12.851 -7.369 1.00 0.00 O ATOM 1473 CB SER A 91 0.857 -12.827 -9.658 1.00 0.00 C ATOM 1474 OG SER A 91 -0.394 -13.142 -10.244 1.00 0.00 O ATOM 0 H SER A 91 -1.109 -13.222 -8.224 1.00 0.00 H new ATOM 0 HA SER A 91 1.385 -14.442 -8.342 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.972 -11.745 -9.599 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.663 -13.200 -10.291 1.00 0.00 H new ATOM 0 HG SER A 91 -0.795 -12.329 -10.615 1.00 0.00 H new ATOM 1480 N LEU A 92 1.378 -11.597 -6.729 1.00 0.00 N ATOM 1481 CA LEU A 92 2.176 -10.720 -5.878 1.00 0.00 C ATOM 1482 C LEU A 92 2.994 -11.529 -4.878 1.00 0.00 C ATOM 1483 O LEU A 92 4.186 -11.283 -4.692 1.00 0.00 O ATOM 1484 CB LEU A 92 1.271 -9.735 -5.136 1.00 0.00 C ATOM 1485 CG LEU A 92 1.946 -8.878 -4.065 1.00 0.00 C ATOM 1486 CD1 LEU A 92 3.124 -8.118 -4.655 1.00 0.00 C ATOM 1487 CD2 LEU A 92 0.946 -7.915 -3.443 1.00 0.00 C ATOM 0 H LEU A 92 0.383 -11.373 -6.750 1.00 0.00 H new ATOM 0 HA LEU A 92 2.863 -10.163 -6.515 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.813 -9.071 -5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.463 -10.297 -4.667 1.00 0.00 H new ATOM 0 HG LEU A 92 2.320 -9.537 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.592 -7.513 -3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.852 -8.826 -5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.773 -7.469 -5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.445 -7.313 -2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.542 -7.261 -4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.134 -8.480 -2.984 1.00 0.00 H new ATOM 1499 N ALA A 93 2.347 -12.497 -4.236 1.00 0.00 N ATOM 1500 CA ALA A 93 3.016 -13.345 -3.258 1.00 0.00 C ATOM 1501 C ALA A 93 4.254 -14.003 -3.857 1.00 0.00 C ATOM 1502 O ALA A 93 5.278 -14.143 -3.189 1.00 0.00 O ATOM 1503 CB ALA A 93 2.056 -14.403 -2.733 1.00 0.00 C ATOM 0 H ALA A 93 1.360 -12.713 -4.376 1.00 0.00 H new ATOM 0 HA ALA A 93 3.337 -12.716 -2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.569 -15.030 -2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.203 -13.917 -2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.708 -15.021 -3.561 1.00 0.00 H new ATOM 1509 N GLU A 94 4.152 -14.406 -5.120 1.00 0.00 N ATOM 1510 CA GLU A 94 5.265 -15.051 -5.808 1.00 0.00 C ATOM 1511 C GLU A 94 6.313 -14.024 -6.227 1.00 0.00 C ATOM 1512 O GLU A 94 7.515 -14.270 -6.122 1.00 0.00 O ATOM 1513 CB GLU A 94 4.762 -15.813 -7.035 1.00 0.00 C ATOM 1514 CG GLU A 94 3.639 -16.789 -6.727 1.00 0.00 C ATOM 1515 CD GLU A 94 3.628 -17.981 -7.665 1.00 0.00 C ATOM 1516 OE1 GLU A 94 3.420 -17.777 -8.879 1.00 0.00 O ATOM 1517 OE2 GLU A 94 3.826 -19.116 -7.184 1.00 0.00 O ATOM 0 H GLU A 94 3.311 -14.297 -5.687 1.00 0.00 H new ATOM 0 HA GLU A 94 5.728 -15.756 -5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.415 -15.097 -7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.594 -16.358 -7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.740 -17.140 -5.700 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.683 -16.270 -6.794 1.00 0.00 H new ATOM 1524 N ARG A 95 5.849 -12.874 -6.704 1.00 0.00 N ATOM 1525 CA ARG A 95 6.746 -11.811 -7.141 1.00 0.00 C ATOM 1526 C ARG A 95 7.770 -11.483 -6.058 1.00 0.00 C ATOM 1527 O ARG A 95 8.951 -11.290 -6.346 1.00 0.00 O ATOM 1528 CB ARG A 95 5.947 -10.556 -7.499 1.00 0.00 C ATOM 1529 CG ARG A 95 6.602 -9.703 -8.574 1.00 0.00 C ATOM 1530 CD ARG A 95 5.727 -8.519 -8.955 1.00 0.00 C ATOM 1531 NE ARG A 95 5.998 -8.053 -10.312 1.00 0.00 N ATOM 1532 CZ ARG A 95 5.594 -8.694 -11.403 1.00 0.00 C ATOM 1533 NH1 ARG A 95 4.904 -9.821 -11.297 1.00 0.00 N ATOM 1534 NH2 ARG A 95 5.879 -8.207 -12.604 1.00 0.00 N ATOM 0 H ARG A 95 4.857 -12.654 -6.798 1.00 0.00 H new ATOM 0 HA ARG A 95 7.278 -12.160 -8.026 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.954 -10.852 -7.837 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.812 -9.953 -6.601 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.567 -9.344 -8.217 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.795 -10.313 -9.456 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.678 -8.802 -8.872 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.894 -7.703 -8.251 1.00 0.00 H new ATOM 0 HE ARG A 95 6.526 -7.188 -10.428 1.00 0.00 H new ATOM 0 HH11 ARG A 95 4.682 -10.198 -10.376 1.00 0.00 H new ATOM 0 HH12 ARG A 95 4.595 -10.311 -12.137 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.409 -7.340 -12.690 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.568 -8.700 -13.441 1.00 0.00 H new ATOM 1548 N CYS A 96 7.308 -11.421 -4.814 1.00 0.00 N ATOM 1549 CA CYS A 96 8.183 -11.115 -3.688 1.00 0.00 C ATOM 1550 C CYS A 96 9.318 -12.129 -3.591 1.00 0.00 C ATOM 1551 O CYS A 96 10.456 -11.774 -3.284 1.00 0.00 O ATOM 1552 CB CYS A 96 7.384 -11.099 -2.384 1.00 0.00 C ATOM 1553 SG CYS A 96 5.929 -10.027 -2.423 1.00 0.00 S ATOM 0 H CYS A 96 6.333 -11.579 -4.560 1.00 0.00 H new ATOM 0 HA CYS A 96 8.615 -10.128 -3.853 1.00 0.00 H new ATOM 0 HB2 CYS A 96 7.067 -12.116 -2.152 1.00 0.00 H new ATOM 0 HB3 CYS A 96 8.038 -10.777 -1.574 1.00 0.00 H new ATOM 0 HG CYS A 96 5.108 -10.443 -3.341 1.00 0.00 H new ATOM 1559 N ARG A 97 9.000 -13.393 -3.853 1.00 0.00 N ATOM 1560 CA ARG A 97 9.993 -14.459 -3.792 1.00 0.00 C ATOM 1561 C ARG A 97 11.119 -14.211 -4.791 1.00 0.00 C ATOM 1562 O ARG A 97 12.275 -14.550 -4.537 1.00 0.00 O ATOM 1563 CB ARG A 97 9.337 -15.812 -4.072 1.00 0.00 C ATOM 1564 CG ARG A 97 8.116 -16.087 -3.210 1.00 0.00 C ATOM 1565 CD ARG A 97 8.484 -16.188 -1.738 1.00 0.00 C ATOM 1566 NE ARG A 97 9.648 -17.044 -1.523 1.00 0.00 N ATOM 1567 CZ ARG A 97 10.376 -17.029 -0.411 1.00 0.00 C ATOM 1568 NH1 ARG A 97 10.061 -16.208 0.580 1.00 0.00 N ATOM 1569 NH2 ARG A 97 11.421 -17.838 -0.290 1.00 0.00 N ATOM 0 H ARG A 97 8.063 -13.704 -4.109 1.00 0.00 H new ATOM 0 HA ARG A 97 10.417 -14.469 -2.788 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.047 -15.855 -5.122 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.070 -16.602 -3.911 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.384 -15.291 -3.349 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.643 -17.015 -3.532 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.689 -15.192 -1.346 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.636 -16.582 -1.178 1.00 0.00 H new ATOM 0 HE ARG A 97 9.917 -17.688 -2.267 1.00 0.00 H new ATOM 0 HH11 ARG A 97 9.258 -15.585 0.491 1.00 0.00 H new ATOM 0 HH12 ARG A 97 10.621 -16.199 1.432 1.00 0.00 H new ATOM 0 HH21 ARG A 97 11.666 -18.472 -1.051 1.00 0.00 H new ATOM 0 HH22 ARG A 97 11.979 -17.826 0.564 1.00 0.00 H new ATOM 1583 N LYS A 98 10.774 -13.617 -5.928 1.00 0.00 N ATOM 1584 CA LYS A 98 11.754 -13.322 -6.966 1.00 0.00 C ATOM 1585 C LYS A 98 12.823 -12.365 -6.449 1.00 0.00 C ATOM 1586 O LYS A 98 13.940 -12.329 -6.965 1.00 0.00 O ATOM 1587 CB LYS A 98 11.064 -12.719 -8.192 1.00 0.00 C ATOM 1588 CG LYS A 98 9.841 -13.496 -8.646 1.00 0.00 C ATOM 1589 CD LYS A 98 9.547 -13.263 -10.118 1.00 0.00 C ATOM 1590 CE LYS A 98 10.405 -14.150 -11.006 1.00 0.00 C ATOM 1591 NZ LYS A 98 10.457 -13.649 -12.407 1.00 0.00 N ATOM 0 H LYS A 98 9.822 -13.330 -6.154 1.00 0.00 H new ATOM 0 HA LYS A 98 12.236 -14.257 -7.252 1.00 0.00 H new ATOM 0 HB2 LYS A 98 10.769 -11.694 -7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 98 11.779 -12.671 -9.013 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.999 -14.560 -8.470 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.978 -13.199 -8.050 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.493 -13.460 -10.315 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.727 -12.217 -10.365 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.416 -14.200 -10.601 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.007 -15.165 -10.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.052 -14.281 -12.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.496 -13.625 -12.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.860 -12.690 -12.418 1.00 0.00 H new ATOM 1605 N ASN A 99 12.474 -11.592 -5.426 1.00 0.00 N ATOM 1606 CA ASN A 99 13.405 -10.635 -4.838 1.00 0.00 C ATOM 1607 C ASN A 99 14.103 -11.233 -3.621 1.00 0.00 C ATOM 1608 O ASN A 99 14.539 -10.511 -2.725 1.00 0.00 O ATOM 1609 CB ASN A 99 12.668 -9.355 -4.439 1.00 0.00 C ATOM 1610 CG ASN A 99 12.552 -8.372 -5.588 1.00 0.00 C ATOM 1611 OD1 ASN A 99 13.007 -7.232 -5.494 1.00 0.00 O ATOM 1612 ND2 ASN A 99 11.941 -8.811 -6.682 1.00 0.00 N ATOM 0 H ASN A 99 11.554 -11.609 -4.987 1.00 0.00 H new ATOM 0 HA ASN A 99 14.160 -10.394 -5.586 1.00 0.00 H new ATOM 0 HB2 ASN A 99 11.671 -9.610 -4.081 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.193 -8.880 -3.610 1.00 0.00 H new ATOM 0 HD21 ASN A 99 11.834 -8.195 -7.488 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.579 -9.764 -6.716 1.00 0.00 H new ATOM 1619 N ASN A 100 14.206 -12.558 -3.596 1.00 0.00 N ATOM 1620 CA ASN A 100 14.852 -13.254 -2.489 1.00 0.00 C ATOM 1621 C ASN A 100 14.146 -12.952 -1.171 1.00 0.00 C ATOM 1622 O ASN A 100 14.751 -13.014 -0.102 1.00 0.00 O ATOM 1623 CB ASN A 100 16.325 -12.850 -2.395 1.00 0.00 C ATOM 1624 CG ASN A 100 17.224 -14.020 -2.045 1.00 0.00 C ATOM 1625 OD1 ASN A 100 16.898 -15.173 -2.326 1.00 0.00 O ATOM 1626 ND2 ASN A 100 18.363 -13.727 -1.429 1.00 0.00 N ATOM 0 H ASN A 100 13.850 -13.171 -4.330 1.00 0.00 H new ATOM 0 HA ASN A 100 14.787 -14.325 -2.679 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.643 -12.423 -3.346 1.00 0.00 H new ATOM 0 HB3 ASN A 100 16.438 -12.070 -1.642 1.00 0.00 H new ATOM 0 HD21 ASN A 100 19.009 -14.473 -1.169 1.00 0.00 H new ATOM 0 HD22 ASN A 100 18.592 -12.756 -1.216 1.00 0.00 H new ATOM 1633 N GLY A 101 12.860 -12.626 -1.256 1.00 0.00 N ATOM 1634 CA GLY A 101 12.092 -12.320 -0.063 1.00 0.00 C ATOM 1635 C GLY A 101 10.968 -11.339 -0.332 1.00 0.00 C ATOM 1636 O GLY A 101 9.820 -11.737 -0.532 1.00 0.00 O ATOM 0 H GLY A 101 12.336 -12.568 -2.129 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.676 -13.242 0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.756 -11.908 0.697 1.00 0.00 H new ATOM 1640 N LYS A 102 11.297 -10.052 -0.337 1.00 0.00 N ATOM 1641 CA LYS A 102 10.308 -9.009 -0.583 1.00 0.00 C ATOM 1642 C LYS A 102 10.708 -8.152 -1.780 1.00 0.00 C ATOM 1643 O LYS A 102 11.891 -7.902 -2.011 1.00 0.00 O ATOM 1644 CB LYS A 102 10.145 -8.128 0.657 1.00 0.00 C ATOM 1645 CG LYS A 102 11.421 -7.411 1.066 1.00 0.00 C ATOM 1646 CD LYS A 102 11.121 -6.096 1.766 1.00 0.00 C ATOM 1647 CE LYS A 102 12.299 -5.138 1.680 1.00 0.00 C ATOM 1648 NZ LYS A 102 13.338 -5.444 2.702 1.00 0.00 N ATOM 0 H LYS A 102 12.242 -9.706 -0.173 1.00 0.00 H new ATOM 0 HA LYS A 102 9.356 -9.491 -0.805 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.367 -7.388 0.467 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.802 -8.745 1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 102 12.004 -8.052 1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 102 12.033 -7.223 0.184 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.242 -5.635 1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.881 -6.286 2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.741 -5.194 0.685 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.946 -4.116 1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 14.124 -4.769 2.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.923 -5.366 3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.693 -6.411 2.557 1.00 0.00 H new ATOM 1662 N THR A 103 9.713 -7.701 -2.538 1.00 0.00 N ATOM 1663 CA THR A 103 9.961 -6.871 -3.710 1.00 0.00 C ATOM 1664 C THR A 103 9.303 -5.503 -3.565 1.00 0.00 C ATOM 1665 O THR A 103 8.318 -5.353 -2.843 1.00 0.00 O ATOM 1666 CB THR A 103 9.442 -7.544 -4.995 1.00 0.00 C ATOM 1667 OG1 THR A 103 9.840 -6.783 -6.141 1.00 0.00 O ATOM 1668 CG2 THR A 103 7.926 -7.670 -4.965 1.00 0.00 C ATOM 0 H THR A 103 8.728 -7.897 -2.361 1.00 0.00 H new ATOM 0 HA THR A 103 11.041 -6.745 -3.785 1.00 0.00 H new ATOM 0 HB THR A 103 9.873 -8.543 -5.055 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.508 -7.218 -6.954 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.582 -8.148 -5.882 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.628 -8.274 -4.108 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.480 -6.679 -4.883 1.00 0.00 H new ATOM 1676 N GLU A 104 9.855 -4.510 -4.255 1.00 0.00 N ATOM 1677 CA GLU A 104 9.320 -3.155 -4.201 1.00 0.00 C ATOM 1678 C GLU A 104 8.654 -2.780 -5.522 1.00 0.00 C ATOM 1679 O GLU A 104 9.284 -2.815 -6.579 1.00 0.00 O ATOM 1680 CB GLU A 104 10.433 -2.156 -3.878 1.00 0.00 C ATOM 1681 CG GLU A 104 10.998 -2.307 -2.475 1.00 0.00 C ATOM 1682 CD GLU A 104 12.345 -1.629 -2.312 1.00 0.00 C ATOM 1683 OE1 GLU A 104 13.287 -2.000 -3.043 1.00 0.00 O ATOM 1684 OE2 GLU A 104 12.456 -0.729 -1.455 1.00 0.00 O ATOM 0 H GLU A 104 10.671 -4.618 -4.857 1.00 0.00 H new ATOM 0 HA GLU A 104 8.569 -3.120 -3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.240 -2.278 -4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.047 -1.144 -3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.294 -1.886 -1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.098 -3.367 -2.240 1.00 0.00 H new ATOM 1691 N ILE A 105 7.376 -2.423 -5.452 1.00 0.00 N ATOM 1692 CA ILE A 105 6.624 -2.041 -6.642 1.00 0.00 C ATOM 1693 C ILE A 105 6.002 -0.659 -6.478 1.00 0.00 C ATOM 1694 O ILE A 105 5.470 -0.327 -5.419 1.00 0.00 O ATOM 1695 CB ILE A 105 5.511 -3.059 -6.955 1.00 0.00 C ATOM 1696 CG1 ILE A 105 6.107 -4.454 -7.155 1.00 0.00 C ATOM 1697 CG2 ILE A 105 4.731 -2.628 -8.188 1.00 0.00 C ATOM 1698 CD1 ILE A 105 5.089 -5.567 -7.043 1.00 0.00 C ATOM 0 H ILE A 105 6.840 -2.390 -4.585 1.00 0.00 H new ATOM 0 HA ILE A 105 7.332 -2.022 -7.471 1.00 0.00 H new ATOM 0 HB ILE A 105 4.824 -3.096 -6.109 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.579 -4.501 -8.136 1.00 0.00 H new ATOM 0 HG13 ILE A 105 6.892 -4.614 -6.416 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.948 -3.357 -8.397 1.00 0.00 H new ATOM 0 HG22 ILE A 105 4.280 -1.652 -8.010 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.406 -2.566 -9.042 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.582 -6.527 -7.196 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.634 -5.546 -6.053 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.317 -5.431 -7.800 1.00 0.00 H new ATOM 1710 N TRP A 106 6.070 0.143 -7.535 1.00 0.00 N ATOM 1711 CA TRP A 106 5.512 1.490 -7.510 1.00 0.00 C ATOM 1712 C TRP A 106 4.147 1.526 -8.188 1.00 0.00 C ATOM 1713 O TRP A 106 4.053 1.595 -9.414 1.00 0.00 O ATOM 1714 CB TRP A 106 6.462 2.472 -8.197 1.00 0.00 C ATOM 1715 CG TRP A 106 7.458 3.087 -7.261 1.00 0.00 C ATOM 1716 CD1 TRP A 106 8.756 2.704 -7.078 1.00 0.00 C ATOM 1717 CD2 TRP A 106 7.237 4.194 -6.381 1.00 0.00 C ATOM 1718 NE1 TRP A 106 9.354 3.506 -6.136 1.00 0.00 N ATOM 1719 CE2 TRP A 106 8.444 4.428 -5.694 1.00 0.00 C ATOM 1720 CE3 TRP A 106 6.137 5.012 -6.108 1.00 0.00 C ATOM 1721 CZ2 TRP A 106 8.579 5.445 -4.752 1.00 0.00 C ATOM 1722 CZ3 TRP A 106 6.272 6.020 -5.172 1.00 0.00 C ATOM 1723 CH2 TRP A 106 7.486 6.230 -4.504 1.00 0.00 C ATOM 0 H TRP A 106 6.506 -0.116 -8.420 1.00 0.00 H new ATOM 0 HA TRP A 106 5.388 1.785 -6.468 1.00 0.00 H new ATOM 0 HB2 TRP A 106 6.995 1.954 -8.994 1.00 0.00 H new ATOM 0 HB3 TRP A 106 5.878 3.264 -8.666 1.00 0.00 H new ATOM 0 HD1 TRP A 106 9.241 1.891 -7.597 1.00 0.00 H new ATOM 0 HE1 TRP A 106 10.320 3.427 -5.818 1.00 0.00 H new ATOM 0 HE3 TRP A 106 5.198 4.859 -6.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 9.513 5.608 -4.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 5.428 6.657 -4.952 1.00 0.00 H new ATOM 0 HH2 TRP A 106 7.560 7.027 -3.779 1.00 0.00 H new ATOM 1734 N LEU A 107 3.090 1.479 -7.384 1.00 0.00 N ATOM 1735 CA LEU A 107 1.729 1.507 -7.908 1.00 0.00 C ATOM 1736 C LEU A 107 1.481 2.778 -8.714 1.00 0.00 C ATOM 1737 O LEU A 107 1.851 3.874 -8.292 1.00 0.00 O ATOM 1738 CB LEU A 107 0.719 1.411 -6.763 1.00 0.00 C ATOM 1739 CG LEU A 107 0.752 0.119 -5.945 1.00 0.00 C ATOM 1740 CD1 LEU A 107 -0.150 0.236 -4.726 1.00 0.00 C ATOM 1741 CD2 LEU A 107 0.340 -1.067 -6.805 1.00 0.00 C ATOM 0 H LEU A 107 3.149 1.421 -6.367 1.00 0.00 H new ATOM 0 HA LEU A 107 1.603 0.650 -8.569 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.886 2.250 -6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -0.282 1.530 -7.177 1.00 0.00 H new ATOM 0 HG LEU A 107 1.773 -0.045 -5.601 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.114 -0.692 -4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.191 1.060 -4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.174 0.424 -5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.369 -1.978 -6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.672 -0.911 -7.179 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.027 -1.163 -7.646 1.00 0.00 H new ATOM 1753 N GLU A 108 0.851 2.624 -9.874 1.00 0.00 N ATOM 1754 CA GLU A 108 0.553 3.760 -10.738 1.00 0.00 C ATOM 1755 C GLU A 108 -0.946 4.041 -10.770 1.00 0.00 C ATOM 1756 O GLU A 108 -1.688 3.432 -11.542 1.00 0.00 O ATOM 1757 CB GLU A 108 1.064 3.499 -12.157 1.00 0.00 C ATOM 1758 CG GLU A 108 0.726 2.112 -12.679 1.00 0.00 C ATOM 1759 CD GLU A 108 0.585 2.076 -14.189 1.00 0.00 C ATOM 1760 OE1 GLU A 108 -0.424 2.605 -14.702 1.00 0.00 O ATOM 1761 OE2 GLU A 108 1.481 1.520 -14.856 1.00 0.00 O ATOM 0 H GLU A 108 0.537 1.724 -10.237 1.00 0.00 H new ATOM 0 HA GLU A 108 1.061 4.635 -10.332 1.00 0.00 H new ATOM 0 HB2 GLU A 108 0.640 4.245 -12.830 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.146 3.631 -12.175 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.505 1.413 -12.374 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.204 1.773 -12.223 1.00 0.00 H new ATOM 1768 N LEU A 109 -1.386 4.967 -9.925 1.00 0.00 N ATOM 1769 CA LEU A 109 -2.797 5.330 -9.854 1.00 0.00 C ATOM 1770 C LEU A 109 -3.182 6.249 -11.009 1.00 0.00 C ATOM 1771 O LEU A 109 -2.493 7.229 -11.294 1.00 0.00 O ATOM 1772 CB LEU A 109 -3.102 6.014 -8.520 1.00 0.00 C ATOM 1773 CG LEU A 109 -2.421 5.417 -7.288 1.00 0.00 C ATOM 1774 CD1 LEU A 109 -2.585 6.337 -6.089 1.00 0.00 C ATOM 1775 CD2 LEU A 109 -2.985 4.037 -6.984 1.00 0.00 C ATOM 0 H LEU A 109 -0.786 5.480 -9.279 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.386 4.416 -9.929 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.813 7.062 -8.598 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.180 5.991 -8.361 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.356 5.315 -7.499 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.094 5.896 -5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.133 7.304 -6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.645 6.472 -5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.489 3.627 -6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.055 4.115 -6.794 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.815 3.379 -7.836 1.00 0.00 H new ATOM 1787 N LYS A 110 -4.288 5.926 -11.672 1.00 0.00 N ATOM 1788 CA LYS A 110 -4.768 6.723 -12.794 1.00 0.00 C ATOM 1789 C LYS A 110 -6.119 7.355 -12.475 1.00 0.00 C ATOM 1790 O LYS A 110 -6.860 6.896 -11.605 1.00 0.00 O ATOM 1791 CB LYS A 110 -4.882 5.856 -14.050 1.00 0.00 C ATOM 1792 CG LYS A 110 -3.544 5.540 -14.695 1.00 0.00 C ATOM 1793 CD LYS A 110 -3.030 6.711 -15.516 1.00 0.00 C ATOM 1794 CE LYS A 110 -3.544 6.657 -16.946 1.00 0.00 C ATOM 1795 NZ LYS A 110 -3.675 8.016 -17.540 1.00 0.00 N ATOM 0 H LYS A 110 -4.869 5.117 -11.451 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.048 7.521 -12.975 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.381 4.922 -13.792 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.515 6.366 -14.777 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.817 5.289 -13.923 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.645 4.663 -15.334 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.341 7.647 -15.052 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.940 6.704 -15.519 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.865 6.059 -17.554 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -4.513 6.157 -16.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.028 7.936 -18.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -4.343 8.579 -16.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.746 8.484 -17.545 1.00 0.00 H new ATOM 1809 N PRO A 111 -6.453 8.436 -13.195 1.00 0.00 N ATOM 1810 CA PRO A 111 -5.675 9.086 -14.254 1.00 0.00 C ATOM 1811 C PRO A 111 -4.437 9.792 -13.712 1.00 0.00 C ATOM 1812 O PRO A 111 -3.520 10.121 -14.465 1.00 0.00 O ATOM 1813 CB PRO A 111 -6.656 10.102 -14.842 1.00 0.00 C ATOM 1814 CG PRO A 111 -7.612 10.390 -13.737 1.00 0.00 C ATOM 1815 CD PRO A 111 -7.740 9.110 -12.957 1.00 0.00 C ATOM 0 HA PRO A 111 -5.297 8.368 -14.982 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -6.142 11.007 -15.166 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -7.170 9.697 -15.714 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -7.245 11.198 -13.104 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -8.578 10.706 -14.129 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.904 9.300 -11.896 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -8.579 8.509 -13.306 1.00 0.00 H new ATOM 1823 N GLN A 112 -4.417 10.022 -12.403 1.00 0.00 N ATOM 1824 CA GLN A 112 -3.291 10.690 -11.762 1.00 0.00 C ATOM 1825 C GLN A 112 -3.049 10.129 -10.364 1.00 0.00 C ATOM 1826 O GLN A 112 -3.930 9.504 -9.774 1.00 0.00 O ATOM 1827 CB GLN A 112 -3.542 12.197 -11.683 1.00 0.00 C ATOM 1828 CG GLN A 112 -4.748 12.570 -10.837 1.00 0.00 C ATOM 1829 CD GLN A 112 -4.950 14.069 -10.736 1.00 0.00 C ATOM 1830 OE1 GLN A 112 -5.467 14.701 -11.658 1.00 0.00 O ATOM 1831 NE2 GLN A 112 -4.542 14.647 -9.612 1.00 0.00 N ATOM 0 H GLN A 112 -5.168 9.756 -11.766 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.402 10.508 -12.366 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -2.657 12.683 -11.273 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -3.682 12.587 -12.691 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -5.641 12.115 -11.265 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -4.627 12.155 -9.836 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -4.119 14.085 -8.874 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -4.652 15.653 -9.487 1.00 0.00 H new ATOM 1840 N GLY A 113 -1.849 10.358 -9.839 1.00 0.00 N ATOM 1841 CA GLY A 113 -1.514 9.868 -8.515 1.00 0.00 C ATOM 1842 C GLY A 113 -0.596 8.663 -8.558 1.00 0.00 C ATOM 1843 O GLY A 113 -0.620 7.890 -9.516 1.00 0.00 O ATOM 0 H GLY A 113 -1.104 10.874 -10.307 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.036 10.665 -7.946 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.430 9.604 -7.986 1.00 0.00 H new ATOM 1847 N ARG A 114 0.217 8.502 -7.519 1.00 0.00 N ATOM 1848 CA ARG A 114 1.149 7.384 -7.443 1.00 0.00 C ATOM 1849 C ARG A 114 1.584 7.135 -6.002 1.00 0.00 C ATOM 1850 O ARG A 114 1.623 8.057 -5.187 1.00 0.00 O ATOM 1851 CB ARG A 114 2.375 7.654 -8.318 1.00 0.00 C ATOM 1852 CG ARG A 114 3.248 8.789 -7.809 1.00 0.00 C ATOM 1853 CD ARG A 114 3.384 9.894 -8.844 1.00 0.00 C ATOM 1854 NE ARG A 114 3.858 9.386 -10.129 1.00 0.00 N ATOM 1855 CZ ARG A 114 3.816 10.086 -11.257 1.00 0.00 C ATOM 1856 NH1 ARG A 114 3.326 11.318 -11.258 1.00 0.00 N ATOM 1857 NH2 ARG A 114 4.266 9.554 -12.386 1.00 0.00 N ATOM 0 H ARG A 114 0.249 9.132 -6.718 1.00 0.00 H new ATOM 0 HA ARG A 114 0.639 6.493 -7.809 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.974 6.746 -8.380 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.044 7.887 -9.330 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.819 9.197 -6.894 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.235 8.404 -7.554 1.00 0.00 H new ATOM 0 HD2 ARG A 114 2.419 10.383 -8.981 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.076 10.652 -8.476 1.00 0.00 H new ATOM 0 HE ARG A 114 4.242 8.442 -10.162 1.00 0.00 H new ATOM 0 HH11 ARG A 114 2.980 11.730 -10.391 1.00 0.00 H new ATOM 0 HH12 ARG A 114 3.295 11.854 -12.125 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.645 8.607 -12.388 1.00 0.00 H new ATOM 0 HH22 ARG A 114 4.233 10.092 -13.252 1.00 0.00 H new ATOM 1871 N MET A 115 1.910 5.884 -5.695 1.00 0.00 N ATOM 1872 CA MET A 115 2.343 5.514 -4.352 1.00 0.00 C ATOM 1873 C MET A 115 3.282 4.313 -4.395 1.00 0.00 C ATOM 1874 O MET A 115 3.411 3.650 -5.425 1.00 0.00 O ATOM 1875 CB MET A 115 1.132 5.199 -3.472 1.00 0.00 C ATOM 1876 CG MET A 115 0.235 4.111 -4.039 1.00 0.00 C ATOM 1877 SD MET A 115 -0.959 3.497 -2.835 1.00 0.00 S ATOM 1878 CE MET A 115 -1.859 4.998 -2.455 1.00 0.00 C ATOM 0 H MET A 115 1.883 5.109 -6.358 1.00 0.00 H new ATOM 0 HA MET A 115 2.883 6.359 -3.925 1.00 0.00 H new ATOM 0 HB2 MET A 115 1.480 4.894 -2.485 1.00 0.00 H new ATOM 0 HB3 MET A 115 0.546 6.108 -3.336 1.00 0.00 H new ATOM 0 HG2 MET A 115 -0.297 4.500 -4.907 1.00 0.00 H new ATOM 0 HG3 MET A 115 0.851 3.283 -4.388 1.00 0.00 H new ATOM 0 HE1 MET A 115 -1.637 5.306 -1.433 1.00 0.00 H new ATOM 0 HE2 MET A 115 -1.559 5.787 -3.145 1.00 0.00 H new ATOM 0 HE3 MET A 115 -2.929 4.816 -2.555 1.00 0.00 H new ATOM 1888 N LEU A 116 3.934 4.038 -3.271 1.00 0.00 N ATOM 1889 CA LEU A 116 4.862 2.916 -3.181 1.00 0.00 C ATOM 1890 C LEU A 116 4.220 1.735 -2.460 1.00 0.00 C ATOM 1891 O LEU A 116 3.522 1.909 -1.462 1.00 0.00 O ATOM 1892 CB LEU A 116 6.137 3.341 -2.450 1.00 0.00 C ATOM 1893 CG LEU A 116 7.103 2.215 -2.075 1.00 0.00 C ATOM 1894 CD1 LEU A 116 7.526 1.440 -3.313 1.00 0.00 C ATOM 1895 CD2 LEU A 116 8.319 2.775 -1.353 1.00 0.00 C ATOM 0 H LEU A 116 3.838 4.576 -2.410 1.00 0.00 H new ATOM 0 HA LEU A 116 5.117 2.605 -4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 116 6.670 4.056 -3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 116 5.851 3.866 -1.539 1.00 0.00 H new ATOM 0 HG LEU A 116 6.588 1.530 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 116 8.213 0.643 -3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.646 1.007 -3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.022 2.113 -4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.995 1.960 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.835 3.482 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.000 3.285 -0.444 1.00 0.00 H new ATOM 1907 N MET A 117 4.462 0.533 -2.972 1.00 0.00 N ATOM 1908 CA MET A 117 3.909 -0.678 -2.375 1.00 0.00 C ATOM 1909 C MET A 117 5.013 -1.684 -2.066 1.00 0.00 C ATOM 1910 O MET A 117 5.680 -2.185 -2.970 1.00 0.00 O ATOM 1911 CB MET A 117 2.876 -1.308 -3.311 1.00 0.00 C ATOM 1912 CG MET A 117 1.988 -2.336 -2.630 1.00 0.00 C ATOM 1913 SD MET A 117 1.034 -3.317 -3.806 1.00 0.00 S ATOM 1914 CE MET A 117 2.336 -4.266 -4.588 1.00 0.00 C ATOM 0 H MET A 117 5.037 0.371 -3.799 1.00 0.00 H new ATOM 0 HA MET A 117 3.421 -0.402 -1.440 1.00 0.00 H new ATOM 0 HB2 MET A 117 2.250 -0.521 -3.731 1.00 0.00 H new ATOM 0 HB3 MET A 117 3.394 -1.782 -4.144 1.00 0.00 H new ATOM 0 HG2 MET A 117 2.605 -3.000 -2.025 1.00 0.00 H new ATOM 0 HG3 MET A 117 1.306 -1.827 -1.949 1.00 0.00 H new ATOM 0 HE1 MET A 117 1.960 -5.256 -4.846 1.00 0.00 H new ATOM 0 HE2 MET A 117 2.665 -3.756 -5.493 1.00 0.00 H new ATOM 0 HE3 MET A 117 3.177 -4.365 -3.902 1.00 0.00 H new ATOM 1924 N ASN A 118 5.200 -1.975 -0.783 1.00 0.00 N ATOM 1925 CA ASN A 118 6.224 -2.922 -0.355 1.00 0.00 C ATOM 1926 C ASN A 118 5.591 -4.189 0.212 1.00 0.00 C ATOM 1927 O ASN A 118 5.058 -4.186 1.321 1.00 0.00 O ATOM 1928 CB ASN A 118 7.135 -2.280 0.693 1.00 0.00 C ATOM 1929 CG ASN A 118 7.637 -0.914 0.265 1.00 0.00 C ATOM 1930 OD1 ASN A 118 7.597 0.044 1.037 1.00 0.00 O ATOM 1931 ND2 ASN A 118 8.112 -0.820 -0.971 1.00 0.00 N ATOM 0 H ASN A 118 4.656 -1.569 -0.021 1.00 0.00 H new ATOM 0 HA ASN A 118 6.819 -3.194 -1.227 1.00 0.00 H new ATOM 0 HB2 ASN A 118 6.592 -2.186 1.634 1.00 0.00 H new ATOM 0 HB3 ASN A 118 7.986 -2.935 0.880 1.00 0.00 H new ATOM 0 HD21 ASN A 118 8.463 0.073 -1.316 1.00 0.00 H new ATOM 0 HD22 ASN A 118 8.126 -1.641 -1.576 1.00 0.00 H new ATOM 1938 N ALA A 119 5.654 -5.271 -0.558 1.00 0.00 N ATOM 1939 CA ALA A 119 5.090 -6.545 -0.131 1.00 0.00 C ATOM 1940 C ALA A 119 6.173 -7.469 0.416 1.00 0.00 C ATOM 1941 O ALA A 119 7.149 -7.771 -0.270 1.00 0.00 O ATOM 1942 CB ALA A 119 4.359 -7.212 -1.287 1.00 0.00 C ATOM 0 H ALA A 119 6.090 -5.290 -1.480 1.00 0.00 H new ATOM 0 HA ALA A 119 4.378 -6.349 0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.943 -8.163 -0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 119 3.553 -6.563 -1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.057 -7.388 -2.106 1.00 0.00 H new ATOM 1948 N ARG A 120 5.993 -7.915 1.655 1.00 0.00 N ATOM 1949 CA ARG A 120 6.956 -8.804 2.294 1.00 0.00 C ATOM 1950 C ARG A 120 6.383 -10.210 2.443 1.00 0.00 C ATOM 1951 O ARG A 120 5.190 -10.382 2.696 1.00 0.00 O ATOM 1952 CB ARG A 120 7.354 -8.256 3.666 1.00 0.00 C ATOM 1953 CG ARG A 120 8.291 -7.062 3.596 1.00 0.00 C ATOM 1954 CD ARG A 120 7.542 -5.786 3.243 1.00 0.00 C ATOM 1955 NE ARG A 120 8.203 -4.598 3.777 1.00 0.00 N ATOM 1956 CZ ARG A 120 8.142 -4.235 5.054 1.00 0.00 C ATOM 1957 NH1 ARG A 120 7.454 -4.964 5.922 1.00 0.00 N ATOM 1958 NH2 ARG A 120 8.770 -3.140 5.464 1.00 0.00 N ATOM 0 H ARG A 120 5.190 -7.675 2.236 1.00 0.00 H new ATOM 0 HA ARG A 120 7.841 -8.857 1.660 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.453 -7.969 4.208 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.832 -9.050 4.240 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.794 -6.936 4.555 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.065 -7.249 2.852 1.00 0.00 H new ATOM 0 HD2 ARG A 120 7.462 -5.700 2.159 1.00 0.00 H new ATOM 0 HD3 ARG A 120 6.526 -5.842 3.634 1.00 0.00 H new ATOM 0 HE ARG A 120 8.741 -4.015 3.135 1.00 0.00 H new ATOM 0 HH11 ARG A 120 6.970 -5.806 5.610 1.00 0.00 H new ATOM 0 HH12 ARG A 120 7.409 -4.683 6.901 1.00 0.00 H new ATOM 0 HH21 ARG A 120 9.300 -2.577 4.799 1.00 0.00 H new ATOM 0 HH22 ARG A 120 8.723 -2.862 6.444 1.00 0.00 H new ATOM 1972 N TYR A 121 7.240 -11.212 2.282 1.00 0.00 N ATOM 1973 CA TYR A 121 6.819 -12.604 2.396 1.00 0.00 C ATOM 1974 C TYR A 121 7.036 -13.125 3.813 1.00 0.00 C ATOM 1975 O TYR A 121 8.146 -13.076 4.342 1.00 0.00 O ATOM 1976 CB TYR A 121 7.585 -13.473 1.398 1.00 0.00 C ATOM 1977 CG TYR A 121 6.796 -14.664 0.902 1.00 0.00 C ATOM 1978 CD1 TYR A 121 5.933 -14.548 -0.181 1.00 0.00 C ATOM 1979 CD2 TYR A 121 6.913 -15.905 1.516 1.00 0.00 C ATOM 1980 CE1 TYR A 121 5.210 -15.633 -0.638 1.00 0.00 C ATOM 1981 CE2 TYR A 121 6.195 -16.995 1.066 1.00 0.00 C ATOM 1982 CZ TYR A 121 5.345 -16.855 -0.011 1.00 0.00 C ATOM 1983 OH TYR A 121 4.626 -17.938 -0.462 1.00 0.00 O ATOM 0 H TYR A 121 8.230 -11.087 2.072 1.00 0.00 H new ATOM 0 HA TYR A 121 5.754 -12.655 2.170 1.00 0.00 H new ATOM 0 HB2 TYR A 121 7.877 -12.861 0.545 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.504 -13.826 1.867 1.00 0.00 H new ATOM 0 HD1 TYR A 121 5.826 -13.593 -0.674 1.00 0.00 H new ATOM 0 HD2 TYR A 121 7.577 -16.019 2.360 1.00 0.00 H new ATOM 0 HE1 TYR A 121 4.543 -15.526 -1.481 1.00 0.00 H new ATOM 0 HE2 TYR A 121 6.298 -17.952 1.555 1.00 0.00 H new ATOM 0 HH TYR A 121 4.836 -18.722 0.087 1.00 0.00 H new ATOM 1993 N PHE A 122 5.966 -13.625 4.423 1.00 0.00 N ATOM 1994 CA PHE A 122 6.037 -14.156 5.779 1.00 0.00 C ATOM 1995 C PHE A 122 5.251 -15.458 5.896 1.00 0.00 C ATOM 1996 O PHE A 122 4.443 -15.789 5.026 1.00 0.00 O ATOM 1997 CB PHE A 122 5.499 -13.131 6.780 1.00 0.00 C ATOM 1998 CG PHE A 122 6.288 -11.852 6.811 1.00 0.00 C ATOM 1999 CD1 PHE A 122 7.659 -11.874 7.008 1.00 0.00 C ATOM 2000 CD2 PHE A 122 5.658 -10.630 6.642 1.00 0.00 C ATOM 2001 CE1 PHE A 122 8.387 -10.699 7.038 1.00 0.00 C ATOM 2002 CE2 PHE A 122 6.380 -9.452 6.671 1.00 0.00 C ATOM 2003 CZ PHE A 122 7.747 -9.487 6.868 1.00 0.00 C ATOM 0 H PHE A 122 5.039 -13.673 3.999 1.00 0.00 H new ATOM 0 HA PHE A 122 7.083 -14.362 6.007 1.00 0.00 H new ATOM 0 HB2 PHE A 122 4.462 -12.903 6.533 1.00 0.00 H new ATOM 0 HB3 PHE A 122 5.499 -13.573 7.776 1.00 0.00 H new ATOM 0 HD1 PHE A 122 8.165 -12.819 7.140 1.00 0.00 H new ATOM 0 HD2 PHE A 122 4.590 -10.597 6.486 1.00 0.00 H new ATOM 0 HE1 PHE A 122 9.455 -10.729 7.194 1.00 0.00 H new ATOM 0 HE2 PHE A 122 5.876 -8.506 6.540 1.00 0.00 H new ATOM 0 HZ PHE A 122 8.314 -8.568 6.889 1.00 0.00 H new ATOM 2013 N LEU A 123 5.492 -16.193 6.975 1.00 0.00 N ATOM 2014 CA LEU A 123 4.808 -17.460 7.207 1.00 0.00 C ATOM 2015 C LEU A 123 3.932 -17.386 8.453 1.00 0.00 C ATOM 2016 O LEU A 123 4.311 -16.779 9.454 1.00 0.00 O ATOM 2017 CB LEU A 123 5.825 -18.594 7.351 1.00 0.00 C ATOM 2018 CG LEU A 123 6.239 -19.293 6.056 1.00 0.00 C ATOM 2019 CD1 LEU A 123 5.092 -20.130 5.511 1.00 0.00 C ATOM 2020 CD2 LEU A 123 6.696 -18.274 5.022 1.00 0.00 C ATOM 0 H LEU A 123 6.157 -15.933 7.704 1.00 0.00 H new ATOM 0 HA LEU A 123 4.169 -17.661 6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 123 6.720 -18.194 7.826 1.00 0.00 H new ATOM 0 HB3 LEU A 123 5.412 -19.342 8.028 1.00 0.00 H new ATOM 0 HG LEU A 123 7.075 -19.958 6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 123 5.405 -20.620 4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 123 4.811 -20.885 6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 123 4.237 -19.486 5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 123 6.987 -18.790 4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 123 5.880 -17.584 4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.549 -17.718 5.412 1.00 0.00 H new