USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 802 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 107 THR OG1 : rot -149:sc= 0.559 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -0.256 X(o=0.3,f=0.56) USER MOD Set 2.1: A 69 THR OG1 : rot -49:sc= 0.997 USER MOD Set 2.2: A 71 SER OG : rot 27:sc= 0.121 USER MOD Set 3.1: A 19 SER OG : rot -150:sc= -0.209 USER MOD Set 3.2: A 40 MET CE :methyl 175:sc= -2.28! (180deg=-1.68!) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -0.273 F(o=-1.4,f=-0.27) USER MOD Single : A 15 ASN : amide:sc= -1.28 K(o=-1.3,f=-5.4!) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.179 USER MOD Single : A 25 SER OG : rot -167:sc= -0.314! USER MOD Single : A 26 THR OG1 : rot 28:sc= -1.27! USER MOD Single : A 28 THR OG1 : rot 135:sc= -1.91! USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0793 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 41 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0309) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 135:sc= -0.225 (180deg=-1.13) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.207 K(o=-0.21,f=-2.3!) USER MOD Single : A 74 HIS :FLIP no HD1:sc= -8.75! C(o=-9.5!,f=-8.7!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -1.8 X(o=-1.8,f=-1.4) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -67:sc= 0.241 USER MOD Single : A 104 ASN : amide:sc= -3.76! C(o=-3.8!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 91 N PRO A 8 -11.124 -4.434 10.199 1.00 0.00 N ATOM 92 CA PRO A 8 -9.748 -4.933 10.360 1.00 0.00 C ATOM 93 C PRO A 8 -9.753 -6.399 10.809 1.00 0.00 C ATOM 94 O PRO A 8 -10.764 -6.927 11.227 1.00 0.00 O ATOM 95 CB PRO A 8 -9.160 -4.025 11.441 1.00 0.00 C ATOM 96 CG PRO A 8 -10.360 -3.446 12.225 1.00 0.00 C ATOM 97 CD PRO A 8 -11.593 -3.582 11.310 1.00 0.00 C ATOM 0 HA PRO A 8 -9.173 -4.909 9.434 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.499 -4.586 12.102 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.565 -3.227 10.997 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.510 -3.987 13.159 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.185 -2.402 12.486 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.431 -4.038 11.836 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.933 -2.610 10.951 1.00 0.00 H new ATOM 105 N GLY A 9 -8.627 -7.057 10.726 1.00 0.00 N ATOM 106 CA GLY A 9 -8.558 -8.486 11.147 1.00 0.00 C ATOM 107 C GLY A 9 -9.483 -9.336 10.264 1.00 0.00 C ATOM 108 O GLY A 9 -9.735 -10.491 10.547 1.00 0.00 O ATOM 0 H GLY A 9 -7.750 -6.665 10.384 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -7.533 -8.848 11.069 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -8.851 -8.581 12.193 1.00 0.00 H new ATOM 112 N MET A 10 -9.989 -8.775 9.197 1.00 0.00 N ATOM 113 CA MET A 10 -10.896 -9.546 8.294 1.00 0.00 C ATOM 114 C MET A 10 -10.580 -9.188 6.826 1.00 0.00 C ATOM 115 O MET A 10 -11.076 -8.199 6.326 1.00 0.00 O ATOM 116 CB MET A 10 -12.345 -9.158 8.595 1.00 0.00 C ATOM 117 CG MET A 10 -12.820 -9.898 9.846 1.00 0.00 C ATOM 118 SD MET A 10 -14.554 -10.374 9.645 1.00 0.00 S ATOM 119 CE MET A 10 -15.110 -9.887 11.296 1.00 0.00 C ATOM 0 H MET A 10 -9.813 -7.812 8.911 1.00 0.00 H new ATOM 0 HA MET A 10 -10.752 -10.614 8.454 1.00 0.00 H new ATOM 0 HB2 MET A 10 -12.421 -8.081 8.745 1.00 0.00 H new ATOM 0 HB3 MET A 10 -12.983 -9.407 7.747 1.00 0.00 H new ATOM 0 HG2 MET A 10 -12.206 -10.783 10.013 1.00 0.00 H new ATOM 0 HG3 MET A 10 -12.706 -9.261 10.723 1.00 0.00 H new ATOM 0 HE1 MET A 10 -16.175 -10.095 11.397 1.00 0.00 H new ATOM 0 HE2 MET A 10 -14.557 -10.451 12.047 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.934 -8.821 11.440 1.00 0.00 H new ATOM 129 N ALA A 11 -9.751 -9.958 6.135 1.00 0.00 N ATOM 130 CA ALA A 11 -9.410 -9.626 4.714 1.00 0.00 C ATOM 131 C ALA A 11 -8.239 -8.644 4.718 1.00 0.00 C ATOM 132 O ALA A 11 -7.176 -8.928 4.211 1.00 0.00 O ATOM 133 CB ALA A 11 -10.613 -9.000 4.003 1.00 0.00 C ATOM 0 H ALA A 11 -9.302 -10.798 6.500 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.139 -10.537 4.180 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.345 -8.766 2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.446 -9.703 4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.905 -8.085 4.519 1.00 0.00 H new ATOM 139 N ILE A 12 -8.427 -7.500 5.315 1.00 0.00 N ATOM 140 CA ILE A 12 -7.331 -6.496 5.398 1.00 0.00 C ATOM 141 C ILE A 12 -6.657 -6.663 6.772 1.00 0.00 C ATOM 142 O ILE A 12 -7.234 -6.274 7.767 1.00 0.00 O ATOM 143 CB ILE A 12 -7.919 -5.088 5.283 1.00 0.00 C ATOM 144 CG1 ILE A 12 -8.327 -4.824 3.831 1.00 0.00 C ATOM 145 CG2 ILE A 12 -6.868 -4.062 5.710 1.00 0.00 C ATOM 146 CD1 ILE A 12 -9.846 -4.659 3.747 1.00 0.00 C ATOM 0 H ILE A 12 -9.303 -7.216 5.753 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.610 -6.641 4.594 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.793 -5.004 5.928 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -7.832 -3.926 3.461 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -8.005 -5.650 3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.285 -3.058 5.629 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.574 -4.250 6.743 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.994 -4.145 5.063 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.135 -4.471 2.713 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.331 -5.569 4.100 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -10.156 -3.819 4.369 1.00 0.00 H new ATOM 158 N PRO A 13 -5.493 -7.283 6.822 1.00 0.00 N ATOM 159 CA PRO A 13 -4.822 -7.545 8.104 1.00 0.00 C ATOM 160 C PRO A 13 -4.096 -6.313 8.636 1.00 0.00 C ATOM 161 O PRO A 13 -3.904 -5.332 7.946 1.00 0.00 O ATOM 162 CB PRO A 13 -3.839 -8.668 7.779 1.00 0.00 C ATOM 163 CG PRO A 13 -3.600 -8.621 6.250 1.00 0.00 C ATOM 164 CD PRO A 13 -4.727 -7.759 5.645 1.00 0.00 C ATOM 0 HA PRO A 13 -5.529 -7.812 8.889 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.903 -8.532 8.321 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.243 -9.635 8.078 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.623 -8.192 6.025 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.613 -9.625 5.826 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.325 -6.926 5.068 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.355 -8.341 4.970 1.00 0.00 H new ATOM 172 N HIS A 14 -3.701 -6.372 9.876 1.00 0.00 N ATOM 173 CA HIS A 14 -2.992 -5.238 10.505 1.00 0.00 C ATOM 174 C HIS A 14 -1.599 -5.095 9.866 1.00 0.00 C ATOM 175 O HIS A 14 -1.008 -6.067 9.443 1.00 0.00 O ATOM 176 CB HIS A 14 -2.866 -5.552 11.998 1.00 0.00 C ATOM 177 CG HIS A 14 -4.229 -5.858 12.562 1.00 0.00 C ATOM 178 ND1 HIS A 14 -5.032 -6.966 12.466 1.00 0.00 N flip ATOM 179 CD2 HIS A 14 -4.931 -4.950 13.344 1.00 0.00 C flip ATOM 180 CE1 HIS A 14 -6.211 -6.756 13.172 1.00 0.00 C flip ATOM 181 NE2 HIS A 14 -6.101 -5.528 13.682 1.00 0.00 N flip ATOM 0 H HIS A 14 -3.845 -7.176 10.487 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.532 -4.302 10.362 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.200 -6.402 12.147 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.425 -4.705 12.523 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.600 -3.962 13.629 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.039 -7.440 13.284 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -6.815 -5.081 14.257 1.00 0.00 H new ATOM 189 N ASN A 15 -1.063 -3.898 9.784 1.00 0.00 N ATOM 190 CA ASN A 15 0.285 -3.732 9.166 1.00 0.00 C ATOM 191 C ASN A 15 0.245 -4.207 7.706 1.00 0.00 C ATOM 192 O ASN A 15 0.901 -5.166 7.350 1.00 0.00 O ATOM 193 CB ASN A 15 1.307 -4.562 9.944 1.00 0.00 C ATOM 194 CG ASN A 15 2.487 -3.676 10.343 1.00 0.00 C ATOM 195 OD1 ASN A 15 3.207 -3.184 9.497 1.00 0.00 O ATOM 196 ND2 ASN A 15 2.718 -3.449 11.608 1.00 0.00 N ATOM 0 H ASN A 15 -1.500 -3.038 10.116 1.00 0.00 H new ATOM 0 HA ASN A 15 0.570 -2.680 9.196 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.843 -4.990 10.833 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.655 -5.395 9.334 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.502 -2.859 11.885 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.114 -3.862 12.319 1.00 0.00 H new ATOM 203 N PRO A 16 -0.536 -3.521 6.907 1.00 0.00 N ATOM 204 CA PRO A 16 -0.699 -3.845 5.477 1.00 0.00 C ATOM 205 C PRO A 16 0.465 -3.295 4.643 1.00 0.00 C ATOM 206 O PRO A 16 1.174 -2.398 5.053 1.00 0.00 O ATOM 207 CB PRO A 16 -2.001 -3.131 5.100 1.00 0.00 C ATOM 208 CG PRO A 16 -2.190 -1.994 6.134 1.00 0.00 C ATOM 209 CD PRO A 16 -1.333 -2.364 7.358 1.00 0.00 C ATOM 0 HA PRO A 16 -0.719 -4.919 5.292 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.945 -2.730 4.088 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.844 -3.822 5.124 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.878 -1.036 5.718 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.239 -1.894 6.412 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.694 -1.535 7.662 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.954 -2.619 8.217 1.00 0.00 H new ATOM 217 N LEU A 17 0.644 -3.821 3.461 1.00 0.00 N ATOM 218 CA LEU A 17 1.735 -3.336 2.565 1.00 0.00 C ATOM 219 C LEU A 17 3.027 -3.101 3.356 1.00 0.00 C ATOM 220 O LEU A 17 3.692 -2.098 3.185 1.00 0.00 O ATOM 221 CB LEU A 17 1.292 -2.024 1.908 1.00 0.00 C ATOM 222 CG LEU A 17 0.446 -2.324 0.664 1.00 0.00 C ATOM 223 CD1 LEU A 17 -0.507 -3.490 0.945 1.00 0.00 C ATOM 224 CD2 LEU A 17 -0.372 -1.082 0.299 1.00 0.00 C ATOM 0 H LEU A 17 0.075 -4.574 3.074 1.00 0.00 H new ATOM 0 HA LEU A 17 1.931 -4.092 1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.715 -1.429 2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.165 -1.433 1.631 1.00 0.00 H new ATOM 0 HG LEU A 17 1.106 -2.592 -0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.103 -3.695 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.070 -4.377 1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.167 -3.229 1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.975 -1.290 -0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.026 -0.820 1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.302 -0.251 0.091 1.00 0.00 H new ATOM 236 N ASP A 18 3.399 -4.019 4.205 1.00 0.00 N ATOM 237 CA ASP A 18 4.661 -3.839 4.982 1.00 0.00 C ATOM 238 C ASP A 18 5.858 -4.142 4.075 1.00 0.00 C ATOM 239 O ASP A 18 6.864 -3.443 4.082 1.00 0.00 O ATOM 240 CB ASP A 18 4.670 -4.788 6.185 1.00 0.00 C ATOM 241 CG ASP A 18 4.899 -6.223 5.708 1.00 0.00 C ATOM 242 OD1 ASP A 18 6.044 -6.576 5.479 1.00 0.00 O ATOM 243 OD2 ASP A 18 3.924 -6.946 5.579 1.00 0.00 O ATOM 0 H ASP A 18 2.888 -4.881 4.395 1.00 0.00 H new ATOM 0 HA ASP A 18 4.725 -2.812 5.341 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.454 -4.497 6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.724 -4.720 6.722 1.00 0.00 H new ATOM 248 N SER A 19 5.745 -5.162 3.271 1.00 0.00 N ATOM 249 CA SER A 19 6.854 -5.501 2.343 1.00 0.00 C ATOM 250 C SER A 19 7.023 -4.336 1.380 1.00 0.00 C ATOM 251 O SER A 19 8.086 -4.100 0.848 1.00 0.00 O ATOM 252 CB SER A 19 6.512 -6.771 1.563 1.00 0.00 C ATOM 253 OG SER A 19 7.714 -7.457 1.235 1.00 0.00 O ATOM 0 H SER A 19 4.931 -5.775 3.218 1.00 0.00 H new ATOM 0 HA SER A 19 7.775 -5.676 2.899 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.863 -7.414 2.158 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.964 -6.518 0.655 1.00 0.00 H new ATOM 0 HG SER A 19 7.591 -7.949 0.396 1.00 0.00 H new ATOM 259 N CYS A 20 5.971 -3.598 1.166 1.00 0.00 N ATOM 260 CA CYS A 20 6.055 -2.431 0.254 1.00 0.00 C ATOM 261 C CYS A 20 6.857 -1.334 0.947 1.00 0.00 C ATOM 262 O CYS A 20 7.661 -0.651 0.339 1.00 0.00 O ATOM 263 CB CYS A 20 4.646 -1.933 -0.054 1.00 0.00 C ATOM 264 SG CYS A 20 3.669 -3.309 -0.697 1.00 0.00 S ATOM 0 H CYS A 20 5.055 -3.755 1.586 1.00 0.00 H new ATOM 0 HA CYS A 20 6.544 -2.710 -0.679 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.183 -1.530 0.847 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.683 -1.123 -0.783 1.00 0.00 H new ATOM 269 N ARG A 21 6.652 -1.169 2.228 1.00 0.00 N ATOM 270 CA ARG A 21 7.404 -0.129 2.974 1.00 0.00 C ATOM 271 C ARG A 21 8.908 -0.421 2.849 1.00 0.00 C ATOM 272 O ARG A 21 9.697 0.429 2.456 1.00 0.00 O ATOM 273 CB ARG A 21 6.952 -0.132 4.453 1.00 0.00 C ATOM 274 CG ARG A 21 8.023 -0.741 5.371 1.00 0.00 C ATOM 275 CD ARG A 21 7.651 -0.473 6.829 1.00 0.00 C ATOM 276 NE ARG A 21 8.847 0.032 7.561 1.00 0.00 N ATOM 277 CZ ARG A 21 9.212 -0.527 8.682 1.00 0.00 C ATOM 278 NH1 ARG A 21 9.057 -1.812 8.851 1.00 0.00 N ATOM 279 NH2 ARG A 21 9.735 0.195 9.634 1.00 0.00 N ATOM 0 H ARG A 21 5.994 -1.713 2.786 1.00 0.00 H new ATOM 0 HA ARG A 21 7.205 0.860 2.561 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.738 0.888 4.770 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.025 -0.697 4.550 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.102 -1.814 5.195 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.998 -0.309 5.147 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.844 0.258 6.881 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.284 -1.387 7.296 1.00 0.00 H new ATOM 0 HE ARG A 21 9.381 0.816 7.185 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.651 -2.379 8.107 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.342 -2.249 9.727 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.859 1.199 9.503 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.020 -0.244 10.509 1.00 0.00 H new ATOM 293 N TRP A 22 9.315 -1.619 3.186 1.00 0.00 N ATOM 294 CA TRP A 22 10.773 -1.943 3.091 1.00 0.00 C ATOM 295 C TRP A 22 11.218 -1.975 1.630 1.00 0.00 C ATOM 296 O TRP A 22 12.355 -1.679 1.314 1.00 0.00 O ATOM 297 CB TRP A 22 11.099 -3.277 3.764 1.00 0.00 C ATOM 298 CG TRP A 22 11.221 -3.018 5.214 1.00 0.00 C ATOM 299 CD1 TRP A 22 10.512 -3.600 6.190 1.00 0.00 C ATOM 300 CD2 TRP A 22 12.109 -2.086 5.843 1.00 0.00 C ATOM 301 NE1 TRP A 22 10.917 -3.068 7.408 1.00 0.00 N ATOM 302 CE2 TRP A 22 11.912 -2.121 7.235 1.00 0.00 C ATOM 303 CE3 TRP A 22 13.060 -1.225 5.317 1.00 0.00 C ATOM 304 CZ2 TRP A 22 12.651 -1.302 8.091 1.00 0.00 C ATOM 305 CZ3 TRP A 22 13.813 -0.396 6.161 1.00 0.00 C ATOM 306 CH2 TRP A 22 13.607 -0.433 7.550 1.00 0.00 C ATOM 0 H TRP A 22 8.715 -2.375 3.517 1.00 0.00 H new ATOM 0 HA TRP A 22 11.318 -1.158 3.616 1.00 0.00 H new ATOM 0 HB2 TRP A 22 10.314 -4.008 3.569 1.00 0.00 H new ATOM 0 HB3 TRP A 22 12.026 -3.691 3.368 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.753 -4.356 6.053 1.00 0.00 H new ATOM 0 HE1 TRP A 22 10.531 -3.340 8.312 1.00 0.00 H new ATOM 0 HE3 TRP A 22 13.222 -1.193 4.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 12.487 -1.338 9.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 14.552 0.271 5.743 1.00 0.00 H new ATOM 0 HH2 TRP A 22 14.185 0.208 8.200 1.00 0.00 H new ATOM 317 N TYR A 23 10.339 -2.316 0.731 1.00 0.00 N ATOM 318 CA TYR A 23 10.739 -2.344 -0.700 1.00 0.00 C ATOM 319 C TYR A 23 11.097 -0.922 -1.127 1.00 0.00 C ATOM 320 O TYR A 23 11.953 -0.714 -1.962 1.00 0.00 O ATOM 321 CB TYR A 23 9.599 -2.891 -1.560 1.00 0.00 C ATOM 322 CG TYR A 23 10.008 -2.874 -3.014 1.00 0.00 C ATOM 323 CD1 TYR A 23 11.360 -2.979 -3.365 1.00 0.00 C ATOM 324 CD2 TYR A 23 9.035 -2.753 -4.013 1.00 0.00 C ATOM 325 CE1 TYR A 23 11.738 -2.964 -4.713 1.00 0.00 C ATOM 326 CE2 TYR A 23 9.413 -2.737 -5.360 1.00 0.00 C ATOM 327 CZ TYR A 23 10.764 -2.841 -5.711 1.00 0.00 C ATOM 328 OH TYR A 23 11.135 -2.825 -7.040 1.00 0.00 O ATOM 0 H TYR A 23 9.371 -2.574 0.923 1.00 0.00 H new ATOM 0 HA TYR A 23 11.601 -2.998 -0.834 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.354 -3.908 -1.253 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.701 -2.289 -1.417 1.00 0.00 H new ATOM 0 HD1 TYR A 23 12.112 -3.072 -2.595 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.992 -2.672 -3.744 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.780 -3.047 -4.983 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.661 -2.644 -6.130 1.00 0.00 H new ATOM 0 HH TYR A 23 10.337 -2.735 -7.601 1.00 0.00 H new ATOM 338 N VAL A 24 10.474 0.067 -0.537 1.00 0.00 N ATOM 339 CA VAL A 24 10.828 1.469 -0.899 1.00 0.00 C ATOM 340 C VAL A 24 12.164 1.798 -0.257 1.00 0.00 C ATOM 341 O VAL A 24 13.032 2.379 -0.867 1.00 0.00 O ATOM 342 CB VAL A 24 9.799 2.459 -0.371 1.00 0.00 C ATOM 343 CG1 VAL A 24 10.300 3.882 -0.647 1.00 0.00 C ATOM 344 CG2 VAL A 24 8.455 2.234 -1.067 1.00 0.00 C ATOM 0 H VAL A 24 9.746 -0.035 0.170 1.00 0.00 H new ATOM 0 HA VAL A 24 10.864 1.548 -1.986 1.00 0.00 H new ATOM 0 HB VAL A 24 9.663 2.316 0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.572 4.603 -0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.254 4.036 -0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.430 4.020 -1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.723 2.946 -0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.573 2.377 -2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.110 1.219 -0.872 1.00 0.00 H new ATOM 354 N SER A 25 12.332 1.436 0.985 1.00 0.00 N ATOM 355 CA SER A 25 13.618 1.738 1.669 1.00 0.00 C ATOM 356 C SER A 25 14.788 1.214 0.823 1.00 0.00 C ATOM 357 O SER A 25 15.816 1.852 0.701 1.00 0.00 O ATOM 358 CB SER A 25 13.645 1.058 3.038 1.00 0.00 C ATOM 359 OG SER A 25 12.318 0.726 3.426 1.00 0.00 O ATOM 0 H SER A 25 11.639 0.947 1.552 1.00 0.00 H new ATOM 0 HA SER A 25 13.711 2.817 1.795 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.260 0.159 2.998 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.097 1.720 3.777 1.00 0.00 H new ATOM 0 HG SER A 25 12.306 0.480 4.375 1.00 0.00 H new ATOM 365 N THR A 26 14.647 0.040 0.260 1.00 0.00 N ATOM 366 CA THR A 26 15.755 -0.554 -0.554 1.00 0.00 C ATOM 367 C THR A 26 15.832 0.077 -1.957 1.00 0.00 C ATOM 368 O THR A 26 16.862 0.572 -2.361 1.00 0.00 O ATOM 369 CB THR A 26 15.521 -2.070 -0.669 1.00 0.00 C ATOM 370 OG1 THR A 26 15.935 -2.698 0.539 1.00 0.00 O ATOM 371 CG2 THR A 26 16.312 -2.648 -1.851 1.00 0.00 C ATOM 0 H THR A 26 13.808 -0.536 0.329 1.00 0.00 H new ATOM 0 HA THR A 26 16.703 -0.352 -0.056 1.00 0.00 H new ATOM 0 HB THR A 26 14.460 -2.256 -0.839 1.00 0.00 H new ATOM 0 HG1 THR A 26 15.853 -2.064 1.282 1.00 0.00 H new ATOM 0 HG21 THR A 26 16.135 -3.721 -1.917 1.00 0.00 H new ATOM 0 HG22 THR A 26 15.988 -2.169 -2.775 1.00 0.00 H new ATOM 0 HG23 THR A 26 17.376 -2.465 -1.701 1.00 0.00 H new ATOM 379 N ARG A 27 14.773 0.035 -2.712 1.00 0.00 N ATOM 380 CA ARG A 27 14.814 0.607 -4.094 1.00 0.00 C ATOM 381 C ARG A 27 15.207 2.088 -4.064 1.00 0.00 C ATOM 382 O ARG A 27 15.695 2.626 -5.038 1.00 0.00 O ATOM 383 CB ARG A 27 13.438 0.470 -4.753 1.00 0.00 C ATOM 384 CG ARG A 27 13.564 0.725 -6.256 1.00 0.00 C ATOM 385 CD ARG A 27 14.612 -0.217 -6.852 1.00 0.00 C ATOM 386 NE ARG A 27 14.325 -0.427 -8.299 1.00 0.00 N ATOM 387 CZ ARG A 27 15.164 0.007 -9.200 1.00 0.00 C ATOM 388 NH1 ARG A 27 16.169 -0.739 -9.571 1.00 0.00 N ATOM 389 NH2 ARG A 27 14.999 1.188 -9.732 1.00 0.00 N ATOM 0 H ARG A 27 13.878 -0.370 -2.437 1.00 0.00 H new ATOM 0 HA ARG A 27 15.560 0.055 -4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.036 -0.527 -4.575 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.739 1.179 -4.310 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.602 0.569 -6.743 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.848 1.762 -6.436 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.609 0.204 -6.725 1.00 0.00 H new ATOM 0 HD3 ARG A 27 14.600 -1.171 -6.326 1.00 0.00 H new ATOM 0 HE ARG A 27 13.473 -0.910 -8.585 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.299 -1.662 -9.157 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.824 -0.399 -10.275 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.214 1.772 -9.444 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.655 1.526 -10.436 1.00 0.00 H new ATOM 403 N THR A 28 14.972 2.761 -2.975 1.00 0.00 N ATOM 404 CA THR A 28 15.302 4.215 -2.917 1.00 0.00 C ATOM 405 C THR A 28 16.670 4.449 -2.251 1.00 0.00 C ATOM 406 O THR A 28 17.584 4.967 -2.863 1.00 0.00 O ATOM 407 CB THR A 28 14.206 4.938 -2.124 1.00 0.00 C ATOM 408 OG1 THR A 28 14.146 4.410 -0.808 1.00 0.00 O ATOM 409 CG2 THR A 28 12.856 4.732 -2.815 1.00 0.00 C ATOM 0 H THR A 28 14.567 2.371 -2.124 1.00 0.00 H new ATOM 0 HA THR A 28 15.354 4.607 -3.933 1.00 0.00 H new ATOM 0 HB THR A 28 14.434 6.003 -2.079 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.083 5.145 -0.163 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.077 5.246 -2.252 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.899 5.137 -3.826 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.629 3.667 -2.860 1.00 0.00 H new ATOM 417 N CYS A 29 16.813 4.095 -1.004 1.00 0.00 N ATOM 418 CA CYS A 29 18.109 4.319 -0.299 1.00 0.00 C ATOM 419 C CYS A 29 18.927 3.029 -0.271 1.00 0.00 C ATOM 420 O CYS A 29 19.835 2.878 0.522 1.00 0.00 O ATOM 421 CB CYS A 29 17.825 4.774 1.133 1.00 0.00 C ATOM 422 SG CYS A 29 17.095 6.424 1.097 1.00 0.00 S ATOM 0 H CYS A 29 16.085 3.658 -0.439 1.00 0.00 H new ATOM 0 HA CYS A 29 18.678 5.083 -0.828 1.00 0.00 H new ATOM 0 HB2 CYS A 29 17.148 4.074 1.622 1.00 0.00 H new ATOM 0 HB3 CYS A 29 18.747 4.784 1.714 1.00 0.00 H new ATOM 427 N GLY A 30 18.610 2.098 -1.119 1.00 0.00 N ATOM 428 CA GLY A 30 19.370 0.813 -1.130 1.00 0.00 C ATOM 429 C GLY A 30 19.394 0.220 0.282 1.00 0.00 C ATOM 430 O GLY A 30 20.217 -0.615 0.601 1.00 0.00 O ATOM 0 H GLY A 30 17.859 2.166 -1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 30 18.907 0.110 -1.823 1.00 0.00 H new ATOM 0 HA3 GLY A 30 20.388 0.983 -1.481 1.00 0.00 H new ATOM 434 N VAL A 31 18.494 0.642 1.130 1.00 0.00 N ATOM 435 CA VAL A 31 18.459 0.100 2.520 1.00 0.00 C ATOM 436 C VAL A 31 17.247 -0.825 2.658 1.00 0.00 C ATOM 437 O VAL A 31 16.240 -0.641 2.004 1.00 0.00 O ATOM 438 CB VAL A 31 18.353 1.263 3.514 1.00 0.00 C ATOM 439 CG1 VAL A 31 18.137 0.729 4.932 1.00 0.00 C ATOM 440 CG2 VAL A 31 19.649 2.076 3.476 1.00 0.00 C ATOM 0 H VAL A 31 17.780 1.340 0.920 1.00 0.00 H new ATOM 0 HA VAL A 31 19.369 -0.462 2.730 1.00 0.00 H new ATOM 0 HB VAL A 31 17.507 1.892 3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.063 1.565 5.628 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.216 0.147 4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.977 0.095 5.214 1.00 0.00 H new ATOM 0 HG21 VAL A 31 19.580 2.905 4.181 1.00 0.00 H new ATOM 0 HG22 VAL A 31 20.488 1.436 3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 31 19.804 2.467 2.470 1.00 0.00 H new ATOM 450 N GLY A 32 17.337 -1.828 3.487 1.00 0.00 N ATOM 451 CA GLY A 32 16.193 -2.765 3.641 1.00 0.00 C ATOM 452 C GLY A 32 16.750 -4.191 3.807 1.00 0.00 C ATOM 453 O GLY A 32 17.949 -4.366 3.730 1.00 0.00 O ATOM 0 H GLY A 32 18.152 -2.038 4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.592 -2.490 4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.540 -2.712 2.770 1.00 0.00 H new ATOM 457 N PRO A 33 15.902 -5.194 4.015 1.00 0.00 N ATOM 458 CA PRO A 33 16.403 -6.578 4.161 1.00 0.00 C ATOM 459 C PRO A 33 17.013 -7.057 2.838 1.00 0.00 C ATOM 460 O PRO A 33 16.938 -6.377 1.833 1.00 0.00 O ATOM 461 CB PRO A 33 15.158 -7.383 4.567 1.00 0.00 C ATOM 462 CG PRO A 33 13.943 -6.549 4.121 1.00 0.00 C ATOM 463 CD PRO A 33 14.413 -5.085 4.114 1.00 0.00 C ATOM 0 HA PRO A 33 17.198 -6.684 4.899 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.155 -8.362 4.089 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.139 -7.554 5.643 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.602 -6.854 3.132 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.104 -6.686 4.803 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.995 -4.534 3.272 1.00 0.00 H new ATOM 0 HD3 PRO A 33 14.109 -4.562 5.021 1.00 0.00 H new ATOM 471 N ARG A 34 17.641 -8.203 2.827 1.00 0.00 N ATOM 472 CA ARG A 34 18.274 -8.683 1.567 1.00 0.00 C ATOM 473 C ARG A 34 17.296 -9.562 0.791 1.00 0.00 C ATOM 474 O ARG A 34 17.526 -10.736 0.581 1.00 0.00 O ATOM 475 CB ARG A 34 19.528 -9.493 1.903 1.00 0.00 C ATOM 476 CG ARG A 34 19.175 -10.584 2.916 1.00 0.00 C ATOM 477 CD ARG A 34 19.693 -10.182 4.298 1.00 0.00 C ATOM 478 NE ARG A 34 20.918 -10.967 4.615 1.00 0.00 N ATOM 479 CZ ARG A 34 21.901 -10.407 5.266 1.00 0.00 C ATOM 480 NH1 ARG A 34 21.650 -9.631 6.285 1.00 0.00 N ATOM 481 NH2 ARG A 34 23.134 -10.622 4.898 1.00 0.00 N ATOM 0 H ARG A 34 17.742 -8.823 3.631 1.00 0.00 H new ATOM 0 HA ARG A 34 18.544 -7.823 0.955 1.00 0.00 H new ATOM 0 HB2 ARG A 34 19.938 -9.941 0.998 1.00 0.00 H new ATOM 0 HB3 ARG A 34 20.298 -8.838 2.311 1.00 0.00 H new ATOM 0 HG2 ARG A 34 18.095 -10.730 2.949 1.00 0.00 H new ATOM 0 HG3 ARG A 34 19.616 -11.534 2.613 1.00 0.00 H new ATOM 0 HD2 ARG A 34 19.916 -9.115 4.319 1.00 0.00 H new ATOM 0 HD3 ARG A 34 18.927 -10.362 5.052 1.00 0.00 H new ATOM 0 HE ARG A 34 20.989 -11.942 4.324 1.00 0.00 H new ATOM 0 HH11 ARG A 34 20.686 -9.462 6.572 1.00 0.00 H new ATOM 0 HH12 ARG A 34 22.418 -9.193 6.794 1.00 0.00 H new ATOM 0 HH21 ARG A 34 23.330 -11.228 4.101 1.00 0.00 H new ATOM 0 HH22 ARG A 34 23.902 -10.184 5.407 1.00 0.00 H new ATOM 495 N LEU A 35 16.214 -8.989 0.347 1.00 0.00 N ATOM 496 CA LEU A 35 15.219 -9.765 -0.440 1.00 0.00 C ATOM 497 C LEU A 35 15.330 -9.339 -1.904 1.00 0.00 C ATOM 498 O LEU A 35 15.163 -8.181 -2.230 1.00 0.00 O ATOM 499 CB LEU A 35 13.812 -9.468 0.079 1.00 0.00 C ATOM 500 CG LEU A 35 12.832 -10.503 -0.473 1.00 0.00 C ATOM 501 CD1 LEU A 35 11.537 -10.464 0.340 1.00 0.00 C ATOM 502 CD2 LEU A 35 12.523 -10.180 -1.936 1.00 0.00 C ATOM 0 H LEU A 35 15.975 -8.009 0.497 1.00 0.00 H new ATOM 0 HA LEU A 35 15.411 -10.834 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.804 -9.489 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.506 -8.466 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 35 13.275 -11.496 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.838 -11.202 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.755 -10.691 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.093 -9.471 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.824 -10.917 -2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.079 -9.187 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.445 -10.206 -2.517 1.00 0.00 H new ATOM 514 N ALA A 36 15.627 -10.256 -2.784 1.00 0.00 N ATOM 515 CA ALA A 36 15.764 -9.889 -4.223 1.00 0.00 C ATOM 516 C ALA A 36 14.643 -8.902 -4.608 1.00 0.00 C ATOM 517 O ALA A 36 13.500 -9.081 -4.235 1.00 0.00 O ATOM 518 CB ALA A 36 15.671 -11.155 -5.077 1.00 0.00 C ATOM 0 H ALA A 36 15.780 -11.241 -2.570 1.00 0.00 H new ATOM 0 HA ALA A 36 16.729 -9.413 -4.395 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.771 -10.892 -6.130 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.470 -11.842 -4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.706 -11.635 -4.913 1.00 0.00 H new ATOM 524 N THR A 37 14.959 -7.847 -5.329 1.00 0.00 N ATOM 525 CA THR A 37 13.917 -6.846 -5.705 1.00 0.00 C ATOM 526 C THR A 37 12.706 -7.514 -6.362 1.00 0.00 C ATOM 527 O THR A 37 11.587 -7.317 -5.946 1.00 0.00 O ATOM 528 CB THR A 37 14.523 -5.837 -6.682 1.00 0.00 C ATOM 529 OG1 THR A 37 15.917 -5.715 -6.430 1.00 0.00 O ATOM 530 CG2 THR A 37 13.850 -4.478 -6.499 1.00 0.00 C ATOM 0 H THR A 37 15.897 -7.641 -5.671 1.00 0.00 H new ATOM 0 HA THR A 37 13.579 -6.348 -4.796 1.00 0.00 H new ATOM 0 HB THR A 37 14.366 -6.182 -7.704 1.00 0.00 H new ATOM 0 HG1 THR A 37 16.307 -5.070 -7.056 1.00 0.00 H new ATOM 0 HG21 THR A 37 14.283 -3.761 -7.196 1.00 0.00 H new ATOM 0 HG22 THR A 37 12.781 -4.572 -6.693 1.00 0.00 H new ATOM 0 HG23 THR A 37 14.004 -4.130 -5.478 1.00 0.00 H new ATOM 538 N GLN A 38 12.908 -8.277 -7.398 1.00 0.00 N ATOM 539 CA GLN A 38 11.744 -8.917 -8.077 1.00 0.00 C ATOM 540 C GLN A 38 10.880 -9.660 -7.058 1.00 0.00 C ATOM 541 O GLN A 38 9.668 -9.593 -7.094 1.00 0.00 O ATOM 542 CB GLN A 38 12.246 -9.903 -9.135 1.00 0.00 C ATOM 543 CG GLN A 38 11.050 -10.542 -9.845 1.00 0.00 C ATOM 544 CD GLN A 38 11.142 -12.065 -9.736 1.00 0.00 C ATOM 545 OE1 GLN A 38 10.741 -12.640 -8.744 1.00 0.00 O ATOM 546 NE2 GLN A 38 11.659 -12.747 -10.721 1.00 0.00 N ATOM 0 H GLN A 38 13.821 -8.485 -7.803 1.00 0.00 H new ATOM 0 HA GLN A 38 11.144 -8.142 -8.553 1.00 0.00 H new ATOM 0 HB2 GLN A 38 12.878 -9.387 -9.858 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.859 -10.673 -8.668 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.119 -10.191 -9.399 1.00 0.00 H new ATOM 0 HG3 GLN A 38 11.034 -10.243 -10.893 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.996 -12.264 -11.554 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.726 -13.763 -10.658 1.00 0.00 H new ATOM 555 N GLU A 39 11.490 -10.369 -6.156 1.00 0.00 N ATOM 556 CA GLU A 39 10.707 -11.120 -5.139 1.00 0.00 C ATOM 557 C GLU A 39 9.995 -10.135 -4.209 1.00 0.00 C ATOM 558 O GLU A 39 8.939 -10.421 -3.680 1.00 0.00 O ATOM 559 CB GLU A 39 11.650 -12.010 -4.326 1.00 0.00 C ATOM 560 CG GLU A 39 12.253 -13.082 -5.236 1.00 0.00 C ATOM 561 CD GLU A 39 11.375 -14.335 -5.210 1.00 0.00 C ATOM 562 OE1 GLU A 39 10.562 -14.446 -4.307 1.00 0.00 O ATOM 563 OE2 GLU A 39 11.530 -15.162 -6.095 1.00 0.00 O ATOM 0 H GLU A 39 12.503 -10.462 -6.078 1.00 0.00 H new ATOM 0 HA GLU A 39 9.964 -11.742 -5.638 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.442 -11.408 -3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.107 -12.478 -3.505 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.334 -12.704 -6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.263 -13.327 -4.906 1.00 0.00 H new ATOM 570 N MET A 40 10.558 -8.974 -4.008 1.00 0.00 N ATOM 571 CA MET A 40 9.904 -7.975 -3.118 1.00 0.00 C ATOM 572 C MET A 40 8.639 -7.473 -3.807 1.00 0.00 C ATOM 573 O MET A 40 7.536 -7.627 -3.315 1.00 0.00 O ATOM 574 CB MET A 40 10.852 -6.796 -2.899 1.00 0.00 C ATOM 575 CG MET A 40 10.477 -6.068 -1.606 1.00 0.00 C ATOM 576 SD MET A 40 11.029 -7.048 -0.187 1.00 0.00 S ATOM 577 CE MET A 40 10.449 -5.925 1.107 1.00 0.00 C ATOM 0 H MET A 40 11.441 -8.675 -4.421 1.00 0.00 H new ATOM 0 HA MET A 40 9.660 -8.430 -2.158 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.881 -7.150 -2.843 1.00 0.00 H new ATOM 0 HB3 MET A 40 10.796 -6.110 -3.744 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.939 -5.081 -1.583 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.399 -5.916 -1.560 1.00 0.00 H new ATOM 0 HE1 MET A 40 10.610 -6.381 2.084 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.001 -4.987 1.049 1.00 0.00 H new ATOM 0 HE3 MET A 40 9.386 -5.729 0.969 1.00 0.00 H new ATOM 587 N LYS A 41 8.799 -6.877 -4.956 1.00 0.00 N ATOM 588 CA LYS A 41 7.616 -6.366 -5.700 1.00 0.00 C ATOM 589 C LYS A 41 6.575 -7.482 -5.800 1.00 0.00 C ATOM 590 O LYS A 41 5.387 -7.254 -5.679 1.00 0.00 O ATOM 591 CB LYS A 41 8.046 -5.931 -7.104 1.00 0.00 C ATOM 592 CG LYS A 41 6.810 -5.753 -7.991 1.00 0.00 C ATOM 593 CD LYS A 41 6.694 -6.941 -8.949 1.00 0.00 C ATOM 594 CE LYS A 41 7.882 -6.937 -9.913 1.00 0.00 C ATOM 595 NZ LYS A 41 8.230 -8.339 -10.276 1.00 0.00 N ATOM 0 H LYS A 41 9.699 -6.722 -5.411 1.00 0.00 H new ATOM 0 HA LYS A 41 7.188 -5.511 -5.177 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.605 -4.997 -7.050 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.713 -6.676 -7.538 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.914 -5.681 -7.374 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.885 -4.823 -8.555 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.672 -7.874 -8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.759 -6.882 -9.507 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.635 -6.368 -10.809 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.738 -6.446 -9.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.098 -8.344 -10.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.383 -8.894 -9.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.452 -8.759 -10.823 1.00 0.00 H new ATOM 609 N ALA A 42 7.016 -8.692 -6.013 1.00 0.00 N ATOM 610 CA ALA A 42 6.058 -9.827 -6.112 1.00 0.00 C ATOM 611 C ALA A 42 5.308 -9.967 -4.788 1.00 0.00 C ATOM 612 O ALA A 42 4.115 -10.196 -4.758 1.00 0.00 O ATOM 613 CB ALA A 42 6.823 -11.118 -6.408 1.00 0.00 C ATOM 0 H ALA A 42 7.999 -8.942 -6.123 1.00 0.00 H new ATOM 0 HA ALA A 42 5.347 -9.639 -6.917 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.121 -11.949 -6.480 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.361 -11.014 -7.350 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.533 -11.312 -5.604 1.00 0.00 H new ATOM 619 N ARG A 43 6.000 -9.827 -3.691 1.00 0.00 N ATOM 620 CA ARG A 43 5.329 -9.945 -2.368 1.00 0.00 C ATOM 621 C ARG A 43 4.240 -8.878 -2.260 1.00 0.00 C ATOM 622 O ARG A 43 3.121 -9.151 -1.867 1.00 0.00 O ATOM 623 CB ARG A 43 6.356 -9.739 -1.254 1.00 0.00 C ATOM 624 CG ARG A 43 7.029 -11.072 -0.926 1.00 0.00 C ATOM 625 CD ARG A 43 8.472 -10.818 -0.490 1.00 0.00 C ATOM 626 NE ARG A 43 9.001 -12.026 0.205 1.00 0.00 N ATOM 627 CZ ARG A 43 9.108 -13.158 -0.438 1.00 0.00 C ATOM 628 NH1 ARG A 43 10.206 -13.441 -1.085 1.00 0.00 N ATOM 629 NH2 ARG A 43 8.119 -14.010 -0.432 1.00 0.00 N ATOM 0 H ARG A 43 7.001 -9.636 -3.655 1.00 0.00 H new ATOM 0 HA ARG A 43 4.884 -10.935 -2.270 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.104 -9.009 -1.565 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.869 -9.338 -0.366 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.482 -11.583 -0.133 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.011 -11.726 -1.798 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.090 -10.585 -1.357 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.516 -9.955 0.174 1.00 0.00 H new ATOM 0 HE ARG A 43 9.280 -11.969 1.184 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.981 -12.778 -1.089 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.289 -14.325 -1.587 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.261 -13.792 0.075 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.204 -14.894 -0.935 1.00 0.00 H new ATOM 643 N CYS A 44 4.557 -7.659 -2.605 1.00 0.00 N ATOM 644 CA CYS A 44 3.535 -6.576 -2.518 1.00 0.00 C ATOM 645 C CYS A 44 2.347 -6.882 -3.435 1.00 0.00 C ATOM 646 O CYS A 44 1.219 -6.590 -3.103 1.00 0.00 O ATOM 647 CB CYS A 44 4.134 -5.244 -2.946 1.00 0.00 C ATOM 648 SG CYS A 44 5.036 -4.524 -1.561 1.00 0.00 S ATOM 0 H CYS A 44 5.475 -7.367 -2.942 1.00 0.00 H new ATOM 0 HA CYS A 44 3.200 -6.520 -1.482 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.803 -5.389 -3.795 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.346 -4.566 -3.273 1.00 0.00 H new ATOM 653 N CYS A 45 2.580 -7.451 -4.592 1.00 0.00 N ATOM 654 CA CYS A 45 1.438 -7.741 -5.507 1.00 0.00 C ATOM 655 C CYS A 45 0.611 -8.886 -4.928 1.00 0.00 C ATOM 656 O CYS A 45 -0.580 -8.977 -5.152 1.00 0.00 O ATOM 657 CB CYS A 45 1.954 -8.134 -6.897 1.00 0.00 C ATOM 658 SG CYS A 45 2.708 -6.706 -7.728 1.00 0.00 S ATOM 0 H CYS A 45 3.500 -7.724 -4.938 1.00 0.00 H new ATOM 0 HA CYS A 45 0.821 -6.847 -5.602 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.686 -8.936 -6.805 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.132 -8.520 -7.500 1.00 0.00 H new ATOM 663 N ARG A 46 1.226 -9.758 -4.182 1.00 0.00 N ATOM 664 CA ARG A 46 0.462 -10.888 -3.590 1.00 0.00 C ATOM 665 C ARG A 46 -0.383 -10.351 -2.440 1.00 0.00 C ATOM 666 O ARG A 46 -1.459 -10.844 -2.158 1.00 0.00 O ATOM 667 CB ARG A 46 1.437 -11.933 -3.055 1.00 0.00 C ATOM 668 CG ARG A 46 0.738 -13.292 -2.973 1.00 0.00 C ATOM 669 CD ARG A 46 0.168 -13.654 -4.346 1.00 0.00 C ATOM 670 NE ARG A 46 1.161 -13.317 -5.404 1.00 0.00 N ATOM 671 CZ ARG A 46 0.806 -12.590 -6.427 1.00 0.00 C ATOM 672 NH1 ARG A 46 -0.362 -12.769 -6.980 1.00 0.00 N ATOM 673 NH2 ARG A 46 1.618 -11.684 -6.899 1.00 0.00 N ATOM 0 H ARG A 46 2.221 -9.738 -3.957 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.178 -11.345 -4.345 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.308 -12.000 -3.707 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.798 -11.638 -2.070 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.443 -14.057 -2.647 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.061 -13.258 -2.233 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.071 -14.717 -4.383 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.762 -13.112 -4.520 1.00 0.00 H new ATOM 0 HE ARG A 46 2.120 -13.655 -5.328 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.997 -13.477 -6.612 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.640 -12.201 -7.780 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.532 -11.544 -6.468 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.339 -11.116 -7.699 1.00 0.00 H new ATOM 687 N GLN A 47 0.100 -9.336 -1.777 1.00 0.00 N ATOM 688 CA GLN A 47 -0.669 -8.756 -0.641 1.00 0.00 C ATOM 689 C GLN A 47 -1.807 -7.891 -1.187 1.00 0.00 C ATOM 690 O GLN A 47 -2.895 -7.864 -0.645 1.00 0.00 O ATOM 691 CB GLN A 47 0.259 -7.900 0.223 1.00 0.00 C ATOM 692 CG GLN A 47 1.604 -8.612 0.387 1.00 0.00 C ATOM 693 CD GLN A 47 1.806 -8.991 1.854 1.00 0.00 C ATOM 694 OE1 GLN A 47 1.602 -10.128 2.234 1.00 0.00 O ATOM 695 NE2 GLN A 47 2.203 -8.082 2.699 1.00 0.00 N ATOM 0 H GLN A 47 0.993 -8.884 -1.973 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.084 -9.561 -0.034 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.406 -6.924 -0.239 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.194 -7.725 1.199 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.633 -9.505 -0.237 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.414 -7.963 0.053 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.374 -7.129 2.379 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.343 -8.324 3.680 1.00 0.00 H new ATOM 704 N LEU A 48 -1.568 -7.192 -2.262 1.00 0.00 N ATOM 705 CA LEU A 48 -2.637 -6.338 -2.844 1.00 0.00 C ATOM 706 C LEU A 48 -3.701 -7.241 -3.463 1.00 0.00 C ATOM 707 O LEU A 48 -4.882 -6.963 -3.394 1.00 0.00 O ATOM 708 CB LEU A 48 -2.043 -5.426 -3.920 1.00 0.00 C ATOM 709 CG LEU A 48 -3.064 -4.353 -4.299 1.00 0.00 C ATOM 710 CD1 LEU A 48 -2.346 -3.021 -4.522 1.00 0.00 C ATOM 711 CD2 LEU A 48 -3.784 -4.766 -5.584 1.00 0.00 C ATOM 0 H LEU A 48 -0.679 -7.176 -2.761 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.082 -5.719 -2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.129 -4.960 -3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.771 -6.011 -4.799 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.791 -4.243 -3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.074 -2.256 -4.792 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.833 -2.726 -3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.619 -3.130 -5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.512 -4.001 -5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.057 -4.876 -6.389 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.296 -5.715 -5.425 1.00 0.00 H new ATOM 723 N GLU A 49 -3.295 -8.334 -4.052 1.00 0.00 N ATOM 724 CA GLU A 49 -4.290 -9.259 -4.652 1.00 0.00 C ATOM 725 C GLU A 49 -5.112 -9.874 -3.524 1.00 0.00 C ATOM 726 O GLU A 49 -6.327 -9.826 -3.537 1.00 0.00 O ATOM 727 CB GLU A 49 -3.574 -10.361 -5.436 1.00 0.00 C ATOM 728 CG GLU A 49 -4.608 -11.227 -6.159 1.00 0.00 C ATOM 729 CD GLU A 49 -5.059 -10.520 -7.440 1.00 0.00 C ATOM 730 OE1 GLU A 49 -4.199 -10.092 -8.191 1.00 0.00 O ATOM 731 OE2 GLU A 49 -6.257 -10.422 -7.647 1.00 0.00 O ATOM 0 H GLU A 49 -2.321 -8.622 -4.142 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.940 -8.716 -5.337 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.885 -9.920 -6.157 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.979 -10.975 -4.760 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.179 -12.200 -6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.465 -11.408 -5.510 1.00 0.00 H new ATOM 738 N ALA A 50 -4.464 -10.424 -2.523 1.00 0.00 N ATOM 739 CA ALA A 50 -5.235 -10.996 -1.384 1.00 0.00 C ATOM 740 C ALA A 50 -6.262 -9.945 -0.985 1.00 0.00 C ATOM 741 O ALA A 50 -7.444 -10.205 -0.901 1.00 0.00 O ATOM 742 CB ALA A 50 -4.296 -11.279 -0.210 1.00 0.00 C ATOM 0 H ALA A 50 -3.449 -10.499 -2.450 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.717 -11.933 -1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.866 -11.697 0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.531 -11.991 -0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.821 -10.351 0.108 1.00 0.00 H new ATOM 748 N ILE A 51 -5.803 -8.738 -0.807 1.00 0.00 N ATOM 749 CA ILE A 51 -6.716 -7.612 -0.485 1.00 0.00 C ATOM 750 C ILE A 51 -7.674 -7.458 -1.668 1.00 0.00 C ATOM 751 O ILE A 51 -7.267 -7.017 -2.725 1.00 0.00 O ATOM 752 CB ILE A 51 -5.902 -6.328 -0.307 1.00 0.00 C ATOM 753 CG1 ILE A 51 -4.968 -6.482 0.896 1.00 0.00 C ATOM 754 CG2 ILE A 51 -6.846 -5.148 -0.072 1.00 0.00 C ATOM 755 CD1 ILE A 51 -5.795 -6.575 2.180 1.00 0.00 C ATOM 0 H ILE A 51 -4.818 -8.483 -0.873 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.265 -7.803 0.437 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.314 -6.145 -1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.355 -7.376 0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.287 -5.633 0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.263 -4.235 0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.511 -5.038 -0.928 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.437 -5.328 0.826 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.128 -6.685 3.035 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.389 -5.668 2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.458 -7.438 2.124 1.00 0.00 H new ATOM 767 N PRO A 52 -8.903 -7.869 -1.490 1.00 0.00 N ATOM 768 CA PRO A 52 -9.895 -7.829 -2.576 1.00 0.00 C ATOM 769 C PRO A 52 -10.173 -6.390 -3.004 1.00 0.00 C ATOM 770 O PRO A 52 -10.214 -5.484 -2.195 1.00 0.00 O ATOM 771 CB PRO A 52 -11.127 -8.518 -1.974 1.00 0.00 C ATOM 772 CG PRO A 52 -10.952 -8.448 -0.442 1.00 0.00 C ATOM 773 CD PRO A 52 -9.435 -8.347 -0.195 1.00 0.00 C ATOM 0 HA PRO A 52 -9.562 -8.328 -3.486 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.044 -8.017 -2.285 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.199 -9.552 -2.311 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.473 -7.585 -0.028 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.368 -9.333 0.040 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.206 -7.653 0.613 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.009 -9.311 0.082 1.00 0.00 H new ATOM 781 N ALA A 53 -10.339 -6.181 -4.287 1.00 0.00 N ATOM 782 CA ALA A 53 -10.593 -4.811 -4.816 1.00 0.00 C ATOM 783 C ALA A 53 -11.484 -4.032 -3.849 1.00 0.00 C ATOM 784 O ALA A 53 -11.406 -2.823 -3.760 1.00 0.00 O ATOM 785 CB ALA A 53 -11.274 -4.918 -6.179 1.00 0.00 C ATOM 0 H ALA A 53 -10.308 -6.913 -4.997 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.646 -4.282 -4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.462 -3.919 -6.571 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.627 -5.462 -6.867 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.219 -5.450 -6.073 1.00 0.00 H new ATOM 791 N TYR A 54 -12.320 -4.709 -3.112 1.00 0.00 N ATOM 792 CA TYR A 54 -13.190 -3.997 -2.142 1.00 0.00 C ATOM 793 C TYR A 54 -12.305 -3.370 -1.062 1.00 0.00 C ATOM 794 O TYR A 54 -11.587 -4.058 -0.366 1.00 0.00 O ATOM 795 CB TYR A 54 -14.152 -4.995 -1.494 1.00 0.00 C ATOM 796 CG TYR A 54 -15.544 -4.412 -1.463 1.00 0.00 C ATOM 797 CD1 TYR A 54 -16.226 -4.168 -2.660 1.00 0.00 C ATOM 798 CD2 TYR A 54 -16.154 -4.120 -0.237 1.00 0.00 C ATOM 799 CE1 TYR A 54 -17.518 -3.631 -2.633 1.00 0.00 C ATOM 800 CE2 TYR A 54 -17.446 -3.582 -0.209 1.00 0.00 C ATOM 801 CZ TYR A 54 -18.129 -3.338 -1.407 1.00 0.00 C ATOM 802 OH TYR A 54 -19.403 -2.809 -1.380 1.00 0.00 O ATOM 0 H TYR A 54 -12.437 -5.722 -3.141 1.00 0.00 H new ATOM 0 HA TYR A 54 -13.764 -3.223 -2.652 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -14.151 -5.931 -2.053 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -13.822 -5.228 -0.482 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -15.755 -4.394 -3.605 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -15.628 -4.310 0.687 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -18.044 -3.442 -3.557 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -17.916 -3.355 0.736 1.00 0.00 H new ATOM 0 HH TYR A 54 -19.678 -2.666 -0.450 1.00 0.00 H new ATOM 812 N CYS A 55 -12.347 -2.072 -0.921 1.00 0.00 N ATOM 813 CA CYS A 55 -11.507 -1.400 0.114 1.00 0.00 C ATOM 814 C CYS A 55 -10.013 -1.578 -0.214 1.00 0.00 C ATOM 815 O CYS A 55 -9.161 -1.248 0.583 1.00 0.00 O ATOM 816 CB CYS A 55 -11.805 -2.008 1.489 1.00 0.00 C ATOM 817 SG CYS A 55 -13.426 -1.437 2.055 1.00 0.00 S ATOM 0 H CYS A 55 -12.928 -1.446 -1.479 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.743 -0.336 0.124 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -11.790 -3.096 1.429 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -11.034 -1.717 2.203 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.685 -1.952 3.220 1.00 0.00 H new ATOM 822 N ARG A 56 -9.681 -2.094 -1.376 1.00 0.00 N ATOM 823 CA ARG A 56 -8.238 -2.275 -1.726 1.00 0.00 C ATOM 824 C ARG A 56 -7.445 -1.031 -1.291 1.00 0.00 C ATOM 825 O ARG A 56 -6.905 -0.985 -0.206 1.00 0.00 O ATOM 826 CB ARG A 56 -8.096 -2.454 -3.243 1.00 0.00 C ATOM 827 CG ARG A 56 -7.737 -3.908 -3.570 1.00 0.00 C ATOM 828 CD ARG A 56 -7.327 -4.008 -5.043 1.00 0.00 C ATOM 829 NE ARG A 56 -7.292 -5.439 -5.468 1.00 0.00 N ATOM 830 CZ ARG A 56 -7.475 -5.753 -6.720 1.00 0.00 C ATOM 831 NH1 ARG A 56 -6.517 -5.564 -7.587 1.00 0.00 N ATOM 832 NH2 ARG A 56 -8.613 -6.259 -7.108 1.00 0.00 N ATOM 0 H ARG A 56 -10.343 -2.395 -2.091 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.852 -3.156 -1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.028 -2.181 -3.738 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.324 -1.786 -3.625 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.922 -4.247 -2.930 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.589 -4.559 -3.373 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.031 -3.453 -5.663 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.347 -3.553 -5.188 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.125 -6.171 -4.778 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.626 -5.171 -7.285 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.660 -5.810 -8.567 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.361 -6.410 -6.431 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.755 -6.504 -8.088 1.00 0.00 H new ATOM 846 N CYS A 57 -7.362 -0.036 -2.145 1.00 0.00 N ATOM 847 CA CYS A 57 -6.598 1.215 -1.816 1.00 0.00 C ATOM 848 C CYS A 57 -6.557 1.513 -0.302 1.00 0.00 C ATOM 849 O CYS A 57 -5.501 1.773 0.233 1.00 0.00 O ATOM 850 CB CYS A 57 -7.237 2.398 -2.547 1.00 0.00 C ATOM 851 SG CYS A 57 -6.671 2.415 -4.267 1.00 0.00 S ATOM 0 H CYS A 57 -7.796 -0.037 -3.068 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.569 1.062 -2.141 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.324 2.319 -2.510 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -6.969 3.333 -2.054 1.00 0.00 H new ATOM 0 HG CYS A 57 -7.213 3.417 -4.892 1.00 0.00 H new ATOM 856 N GLU A 58 -7.681 1.515 0.386 1.00 0.00 N ATOM 857 CA GLU A 58 -7.678 1.829 1.855 1.00 0.00 C ATOM 858 C GLU A 58 -6.381 1.354 2.528 1.00 0.00 C ATOM 859 O GLU A 58 -5.734 2.110 3.224 1.00 0.00 O ATOM 860 CB GLU A 58 -8.874 1.151 2.526 1.00 0.00 C ATOM 861 CG GLU A 58 -10.001 2.170 2.707 1.00 0.00 C ATOM 862 CD GLU A 58 -10.134 2.529 4.189 1.00 0.00 C ATOM 863 OE1 GLU A 58 -9.722 1.729 5.013 1.00 0.00 O ATOM 864 OE2 GLU A 58 -10.646 3.599 4.475 1.00 0.00 O ATOM 0 H GLU A 58 -8.600 1.312 -0.008 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.746 2.911 1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.219 0.314 1.919 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.579 0.743 3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.792 3.066 2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.940 1.759 2.336 1.00 0.00 H new ATOM 871 N ALA A 59 -6.002 0.113 2.334 1.00 0.00 N ATOM 872 CA ALA A 59 -4.746 -0.408 2.968 1.00 0.00 C ATOM 873 C ALA A 59 -3.673 0.682 2.992 1.00 0.00 C ATOM 874 O ALA A 59 -3.134 1.018 4.029 1.00 0.00 O ATOM 875 CB ALA A 59 -4.234 -1.605 2.164 1.00 0.00 C ATOM 0 H ALA A 59 -6.508 -0.564 1.763 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.964 -0.713 3.992 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.321 -1.987 2.621 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.991 -2.389 2.156 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.024 -1.293 1.141 1.00 0.00 H new ATOM 881 N VAL A 60 -3.363 1.232 1.858 1.00 0.00 N ATOM 882 CA VAL A 60 -2.331 2.307 1.800 1.00 0.00 C ATOM 883 C VAL A 60 -2.693 3.409 2.800 1.00 0.00 C ATOM 884 O VAL A 60 -1.875 3.835 3.592 1.00 0.00 O ATOM 885 CB VAL A 60 -2.290 2.898 0.390 1.00 0.00 C ATOM 886 CG1 VAL A 60 -1.029 3.749 0.232 1.00 0.00 C ATOM 887 CG2 VAL A 60 -2.272 1.767 -0.641 1.00 0.00 C ATOM 0 H VAL A 60 -3.780 0.985 0.961 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.355 1.890 2.049 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.172 3.518 0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.998 4.171 -0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.041 4.556 0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.148 3.127 0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.243 2.190 -1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.391 1.145 -0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.170 1.159 -0.530 1.00 0.00 H new ATOM 897 N ARG A 61 -3.913 3.876 2.767 1.00 0.00 N ATOM 898 CA ARG A 61 -4.328 4.952 3.716 1.00 0.00 C ATOM 899 C ARG A 61 -4.053 4.500 5.154 1.00 0.00 C ATOM 900 O ARG A 61 -3.806 5.300 6.030 1.00 0.00 O ATOM 901 CB ARG A 61 -5.824 5.233 3.547 1.00 0.00 C ATOM 902 CG ARG A 61 -6.185 6.540 4.258 1.00 0.00 C ATOM 903 CD ARG A 61 -7.335 7.228 3.516 1.00 0.00 C ATOM 904 NE ARG A 61 -8.633 6.859 4.150 1.00 0.00 N ATOM 905 CZ ARG A 61 -9.524 7.782 4.399 1.00 0.00 C ATOM 906 NH1 ARG A 61 -9.893 8.604 3.455 1.00 0.00 N ATOM 907 NH2 ARG A 61 -10.047 7.882 5.591 1.00 0.00 N ATOM 0 H ARG A 61 -4.640 3.560 2.125 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.762 5.859 3.506 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.074 5.302 2.488 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.408 4.410 3.959 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.474 6.337 5.289 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.317 7.198 4.294 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.201 8.309 3.541 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.334 6.931 2.467 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.826 5.886 4.389 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.486 8.526 2.523 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.588 9.324 3.649 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.760 7.239 6.329 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.742 8.603 5.784 1.00 0.00 H new ATOM 921 N ILE A 62 -4.104 3.221 5.399 1.00 0.00 N ATOM 922 CA ILE A 62 -3.851 2.706 6.778 1.00 0.00 C ATOM 923 C ILE A 62 -2.349 2.700 7.065 1.00 0.00 C ATOM 924 O ILE A 62 -1.930 2.811 8.200 1.00 0.00 O ATOM 925 CB ILE A 62 -4.399 1.278 6.890 1.00 0.00 C ATOM 926 CG1 ILE A 62 -5.919 1.326 7.067 1.00 0.00 C ATOM 927 CG2 ILE A 62 -3.770 0.569 8.092 1.00 0.00 C ATOM 928 CD1 ILE A 62 -6.511 -0.052 6.758 1.00 0.00 C ATOM 0 H ILE A 62 -4.311 2.505 4.702 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.349 3.351 7.502 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.152 0.730 5.981 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.168 1.621 8.086 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.350 2.076 6.404 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.165 -0.444 8.164 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.688 0.529 7.966 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.009 1.117 9.003 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.593 -0.020 6.884 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.273 -0.328 5.731 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.089 -0.791 7.439 1.00 0.00 H new ATOM 940 N LEU A 63 -1.532 2.556 6.064 1.00 0.00 N ATOM 941 CA LEU A 63 -0.070 2.537 6.322 1.00 0.00 C ATOM 942 C LEU A 63 0.425 3.962 6.551 1.00 0.00 C ATOM 943 O LEU A 63 1.189 4.219 7.456 1.00 0.00 O ATOM 944 CB LEU A 63 0.664 1.911 5.135 1.00 0.00 C ATOM 945 CG LEU A 63 2.170 2.125 5.290 1.00 0.00 C ATOM 946 CD1 LEU A 63 2.696 1.243 6.424 1.00 0.00 C ATOM 947 CD2 LEU A 63 2.874 1.751 3.984 1.00 0.00 C ATOM 0 H LEU A 63 -1.809 2.452 5.088 1.00 0.00 H new ATOM 0 HA LEU A 63 0.131 1.939 7.211 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.442 0.845 5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.317 2.358 4.203 1.00 0.00 H new ATOM 0 HG LEU A 63 2.367 3.171 5.523 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.770 1.395 6.535 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.194 1.508 7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.500 0.196 6.192 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.948 1.903 4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.677 0.704 3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.499 2.379 3.176 1.00 0.00 H new ATOM 959 N MET A 64 0.003 4.896 5.747 1.00 0.00 N ATOM 960 CA MET A 64 0.465 6.295 5.950 1.00 0.00 C ATOM 961 C MET A 64 -0.311 6.933 7.107 1.00 0.00 C ATOM 962 O MET A 64 0.268 7.491 8.018 1.00 0.00 O ATOM 963 CB MET A 64 0.245 7.110 4.671 1.00 0.00 C ATOM 964 CG MET A 64 1.060 8.399 4.752 1.00 0.00 C ATOM 965 SD MET A 64 0.442 9.575 3.523 1.00 0.00 S ATOM 966 CE MET A 64 -1.114 9.975 4.354 1.00 0.00 C ATOM 0 H MET A 64 -0.636 4.753 4.965 1.00 0.00 H new ATOM 0 HA MET A 64 1.528 6.287 6.189 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.546 6.529 3.799 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.813 7.341 4.550 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.986 8.827 5.752 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.114 8.188 4.573 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.269 11.054 4.336 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.938 9.481 3.840 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.073 9.632 5.388 1.00 0.00 H new ATOM 976 N ASP A 65 -1.618 6.854 7.086 1.00 0.00 N ATOM 977 CA ASP A 65 -2.413 7.461 8.199 1.00 0.00 C ATOM 978 C ASP A 65 -2.431 6.528 9.412 1.00 0.00 C ATOM 979 O ASP A 65 -2.685 6.953 10.521 1.00 0.00 O ATOM 980 CB ASP A 65 -3.853 7.814 7.752 1.00 0.00 C ATOM 981 CG ASP A 65 -3.837 9.154 7.013 1.00 0.00 C ATOM 982 OD1 ASP A 65 -3.323 10.110 7.572 1.00 0.00 O ATOM 983 OD2 ASP A 65 -4.340 9.203 5.904 1.00 0.00 O ATOM 0 H ASP A 65 -2.165 6.400 6.354 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.927 8.394 8.483 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.247 7.032 7.103 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.512 7.871 8.619 1.00 0.00 H new ATOM 988 N GLY A 66 -2.180 5.260 9.221 1.00 0.00 N ATOM 989 CA GLY A 66 -2.203 4.324 10.374 1.00 0.00 C ATOM 990 C GLY A 66 -3.633 3.821 10.598 1.00 0.00 C ATOM 991 O GLY A 66 -4.599 4.487 10.281 1.00 0.00 O ATOM 0 H GLY A 66 -1.961 4.837 8.319 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.536 3.483 10.186 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.838 4.826 11.270 1.00 0.00 H new ATOM 995 N VAL A 67 -3.765 2.647 11.143 1.00 0.00 N ATOM 996 CA VAL A 67 -5.117 2.069 11.402 1.00 0.00 C ATOM 997 C VAL A 67 -5.304 1.878 12.910 1.00 0.00 C ATOM 998 O VAL A 67 -4.351 1.847 13.664 1.00 0.00 O ATOM 999 CB VAL A 67 -5.254 0.719 10.687 1.00 0.00 C ATOM 1000 CG1 VAL A 67 -3.967 -0.090 10.854 1.00 0.00 C ATOM 1001 CG2 VAL A 67 -6.429 -0.066 11.281 1.00 0.00 C ATOM 0 H VAL A 67 -2.985 2.053 11.425 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.880 2.748 11.023 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.435 0.896 9.627 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.071 -1.048 10.344 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.132 0.462 10.423 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.780 -0.262 11.914 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.522 -1.024 10.770 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.253 -0.237 12.343 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.349 0.504 11.153 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.527 1.770 13.355 1.00 0.00 N ATOM 1012 CA VAL A 68 -6.776 1.604 14.815 1.00 0.00 C ATOM 1013 C VAL A 68 -7.363 0.217 15.075 1.00 0.00 C ATOM 1014 O VAL A 68 -7.893 -0.430 14.195 1.00 0.00 O ATOM 1015 CB VAL A 68 -7.748 2.684 15.307 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -8.369 2.262 16.643 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.982 3.993 15.505 1.00 0.00 C ATOM 0 H VAL A 68 -7.363 1.790 12.771 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.835 1.706 15.356 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.539 2.818 14.569 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.058 3.035 16.984 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.911 1.325 16.513 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.581 2.125 17.384 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.667 4.766 15.855 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.194 3.845 16.243 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.539 4.302 14.558 1.00 0.00 H new ATOM 1027 N THR A 69 -7.229 -0.247 16.283 1.00 0.00 N ATOM 1028 CA THR A 69 -7.722 -1.601 16.636 1.00 0.00 C ATOM 1029 C THR A 69 -8.814 -1.501 17.699 1.00 0.00 C ATOM 1030 O THR A 69 -8.935 -0.516 18.398 1.00 0.00 O ATOM 1031 CB THR A 69 -6.556 -2.435 17.167 1.00 0.00 C ATOM 1032 OG1 THR A 69 -5.978 -1.779 18.287 1.00 0.00 O ATOM 1033 CG2 THR A 69 -5.507 -2.594 16.066 1.00 0.00 C ATOM 0 H THR A 69 -6.792 0.263 17.051 1.00 0.00 H new ATOM 0 HA THR A 69 -8.140 -2.077 15.749 1.00 0.00 H new ATOM 0 HB THR A 69 -6.915 -3.418 17.471 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.815 -0.838 18.067 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.674 -3.188 16.441 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.954 -3.096 15.208 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.145 -1.611 15.764 1.00 0.00 H new ATOM 1041 N SER A 70 -9.620 -2.515 17.798 1.00 0.00 N ATOM 1042 CA SER A 70 -10.731 -2.515 18.789 1.00 0.00 C ATOM 1043 C SER A 70 -10.161 -2.503 20.204 1.00 0.00 C ATOM 1044 O SER A 70 -10.791 -2.051 21.140 1.00 0.00 O ATOM 1045 CB SER A 70 -11.573 -3.774 18.584 1.00 0.00 C ATOM 1046 OG SER A 70 -12.705 -3.729 19.444 1.00 0.00 O ATOM 0 H SER A 70 -9.557 -3.358 17.227 1.00 0.00 H new ATOM 0 HA SER A 70 -11.349 -1.628 18.650 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.894 -3.845 17.545 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.977 -4.662 18.795 1.00 0.00 H new ATOM 0 HG SER A 70 -13.247 -4.535 19.313 1.00 0.00 H new ATOM 1052 N SER A 71 -8.973 -2.995 20.359 1.00 0.00 N ATOM 1053 CA SER A 71 -8.339 -3.022 21.705 1.00 0.00 C ATOM 1054 C SER A 71 -7.962 -1.599 22.117 1.00 0.00 C ATOM 1055 O SER A 71 -7.669 -1.332 23.266 1.00 0.00 O ATOM 1056 CB SER A 71 -7.075 -3.879 21.652 1.00 0.00 C ATOM 1057 OG SER A 71 -6.367 -3.600 20.451 1.00 0.00 O ATOM 0 H SER A 71 -8.405 -3.384 19.607 1.00 0.00 H new ATOM 0 HA SER A 71 -9.039 -3.441 22.428 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.444 -3.671 22.516 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.337 -4.936 21.696 1.00 0.00 H new ATOM 0 HG SER A 71 -6.563 -2.685 20.161 1.00 0.00 H new ATOM 1063 N GLY A 72 -7.951 -0.687 21.186 1.00 0.00 N ATOM 1064 CA GLY A 72 -7.575 0.712 21.526 1.00 0.00 C ATOM 1065 C GLY A 72 -6.111 0.935 21.130 1.00 0.00 C ATOM 1066 O GLY A 72 -5.508 1.928 21.485 1.00 0.00 O ATOM 0 H GLY A 72 -8.186 -0.850 20.207 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.220 1.416 21.000 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.710 0.891 22.593 1.00 0.00 H new ATOM 1070 N GLN A 73 -5.530 0.008 20.404 1.00 0.00 N ATOM 1071 CA GLN A 73 -4.103 0.163 20.000 1.00 0.00 C ATOM 1072 C GLN A 73 -4.028 0.592 18.534 1.00 0.00 C ATOM 1073 O GLN A 73 -4.940 0.370 17.773 1.00 0.00 O ATOM 1074 CB GLN A 73 -3.376 -1.171 20.182 1.00 0.00 C ATOM 1075 CG GLN A 73 -3.129 -1.415 21.672 1.00 0.00 C ATOM 1076 CD GLN A 73 -1.923 -2.340 21.845 1.00 0.00 C ATOM 1077 OE1 GLN A 73 -1.040 -2.367 21.010 1.00 0.00 O ATOM 1078 NE2 GLN A 73 -1.847 -3.102 22.901 1.00 0.00 N ATOM 0 H GLN A 73 -5.984 -0.845 20.077 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.630 0.923 20.622 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.971 -1.982 19.763 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.429 -1.159 19.642 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.950 -0.468 22.182 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.012 -1.862 22.129 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.588 -3.079 23.601 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.046 -3.721 23.027 1.00 0.00 H new ATOM 1087 N HIS A 74 -2.951 1.206 18.132 1.00 0.00 N ATOM 1088 CA HIS A 74 -2.834 1.646 16.719 1.00 0.00 C ATOM 1089 C HIS A 74 -1.701 0.870 16.054 1.00 0.00 C ATOM 1090 O HIS A 74 -0.805 0.376 16.708 1.00 0.00 O ATOM 1091 CB HIS A 74 -2.500 3.132 16.677 1.00 0.00 C ATOM 1092 CG HIS A 74 -3.723 3.949 16.994 1.00 0.00 C ATOM 1093 ND1 HIS A 74 -4.749 3.762 17.887 1.00 0.00 N flip ATOM 1094 CD2 HIS A 74 -3.996 5.145 16.350 1.00 0.00 C flip ATOM 1095 CE1 HIS A 74 -5.644 4.824 17.802 1.00 0.00 C flip ATOM 1096 NE2 HIS A 74 -5.143 5.628 16.861 1.00 0.00 N flip ATOM 0 H HIS A 74 -2.148 1.421 18.723 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.774 1.465 16.199 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.709 3.355 17.393 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -2.121 3.399 15.691 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -3.397 5.606 15.578 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -6.549 4.967 18.374 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -5.577 6.502 16.565 1.00 0.00 H new ATOM 1104 N GLU A 75 -1.741 0.744 14.759 1.00 0.00 N ATOM 1105 CA GLU A 75 -0.670 -0.018 14.060 1.00 0.00 C ATOM 1106 C GLU A 75 -0.329 0.642 12.726 1.00 0.00 C ATOM 1107 O GLU A 75 -0.827 1.699 12.393 1.00 0.00 O ATOM 1108 CB GLU A 75 -1.148 -1.449 13.811 1.00 0.00 C ATOM 1109 CG GLU A 75 -1.615 -2.068 15.130 1.00 0.00 C ATOM 1110 CD GLU A 75 -1.466 -3.590 15.060 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -2.404 -4.237 14.625 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -0.418 -4.081 15.447 1.00 0.00 O ATOM 0 H GLU A 75 -2.465 1.133 14.156 1.00 0.00 H new ATOM 0 HA GLU A 75 0.222 -0.027 14.686 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.963 -1.451 13.087 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.341 -2.044 13.383 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.027 -1.672 15.958 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.655 -1.802 15.321 1.00 0.00 H new ATOM 1119 N GLY A 76 0.524 0.017 11.962 1.00 0.00 N ATOM 1120 CA GLY A 76 0.919 0.593 10.647 1.00 0.00 C ATOM 1121 C GLY A 76 1.573 1.956 10.866 1.00 0.00 C ATOM 1122 O GLY A 76 2.346 2.145 11.785 1.00 0.00 O ATOM 0 H GLY A 76 0.966 -0.872 12.194 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.611 -0.077 10.137 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.044 0.696 10.005 1.00 0.00 H new ATOM 1126 N ARG A 77 1.274 2.907 10.030 1.00 0.00 N ATOM 1127 CA ARG A 77 1.884 4.257 10.193 1.00 0.00 C ATOM 1128 C ARG A 77 3.411 4.118 10.288 1.00 0.00 C ATOM 1129 O ARG A 77 4.065 4.872 10.979 1.00 0.00 O ATOM 1130 CB ARG A 77 1.346 4.901 11.474 1.00 0.00 C ATOM 1131 CG ARG A 77 0.943 6.348 11.185 1.00 0.00 C ATOM 1132 CD ARG A 77 1.934 7.299 11.857 1.00 0.00 C ATOM 1133 NE ARG A 77 1.199 8.471 12.410 1.00 0.00 N ATOM 1134 CZ ARG A 77 1.446 9.669 11.955 1.00 0.00 C ATOM 1135 NH1 ARG A 77 2.477 10.336 12.399 1.00 0.00 N ATOM 1136 NH2 ARG A 77 0.662 10.198 11.056 1.00 0.00 N ATOM 0 H ARG A 77 0.635 2.810 9.241 1.00 0.00 H new ATOM 0 HA ARG A 77 1.631 4.882 9.337 1.00 0.00 H new ATOM 0 HB2 ARG A 77 0.488 4.340 11.843 1.00 0.00 H new ATOM 0 HB3 ARG A 77 2.106 4.873 12.255 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.927 6.524 10.109 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.065 6.536 11.554 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.468 6.782 12.654 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.681 7.632 11.137 1.00 0.00 H new ATOM 0 HE ARG A 77 0.503 8.337 13.144 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.089 9.921 13.101 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.670 11.272 12.044 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.143 9.675 10.710 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.854 11.134 10.699 1.00 0.00 H new ATOM 1150 N LEU A 78 3.987 3.157 9.605 1.00 0.00 N ATOM 1151 CA LEU A 78 5.468 2.980 9.672 1.00 0.00 C ATOM 1152 C LEU A 78 6.160 4.005 8.766 1.00 0.00 C ATOM 1153 O LEU A 78 7.315 4.327 8.959 1.00 0.00 O ATOM 1154 CB LEU A 78 5.845 1.557 9.231 1.00 0.00 C ATOM 1155 CG LEU A 78 5.237 0.541 10.200 1.00 0.00 C ATOM 1156 CD1 LEU A 78 4.459 -0.514 9.411 1.00 0.00 C ATOM 1157 CD2 LEU A 78 6.356 -0.139 10.993 1.00 0.00 C ATOM 0 H LEU A 78 3.496 2.492 9.008 1.00 0.00 H new ATOM 0 HA LEU A 78 5.797 3.135 10.700 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.484 1.371 8.220 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.929 1.448 9.207 1.00 0.00 H new ATOM 0 HG LEU A 78 4.562 1.052 10.887 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.026 -1.238 10.101 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.663 -0.031 8.845 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.134 -1.026 8.725 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.924 -0.863 11.684 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.030 -0.650 10.306 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.912 0.612 11.555 1.00 0.00 H new ATOM 1169 N LEU A 79 5.471 4.534 7.785 1.00 0.00 N ATOM 1170 CA LEU A 79 6.114 5.541 6.895 1.00 0.00 C ATOM 1171 C LEU A 79 6.867 6.554 7.758 1.00 0.00 C ATOM 1172 O LEU A 79 6.284 7.473 8.297 1.00 0.00 O ATOM 1173 CB LEU A 79 5.037 6.268 6.086 1.00 0.00 C ATOM 1174 CG LEU A 79 5.502 6.427 4.638 1.00 0.00 C ATOM 1175 CD1 LEU A 79 4.616 5.581 3.723 1.00 0.00 C ATOM 1176 CD2 LEU A 79 5.397 7.898 4.230 1.00 0.00 C ATOM 0 H LEU A 79 4.500 4.313 7.566 1.00 0.00 H new ATOM 0 HA LEU A 79 6.805 5.045 6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.103 5.707 6.119 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.837 7.246 6.524 1.00 0.00 H new ATOM 0 HG LEU A 79 6.537 6.097 4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.947 5.694 2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.687 4.533 4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.581 5.912 3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.728 8.014 3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.362 8.227 4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.027 8.503 4.883 1.00 0.00 H new ATOM 1188 N GLN A 80 8.154 6.394 7.903 1.00 0.00 N ATOM 1189 CA GLN A 80 8.920 7.354 8.745 1.00 0.00 C ATOM 1190 C GLN A 80 10.316 7.576 8.165 1.00 0.00 C ATOM 1191 O GLN A 80 10.719 6.946 7.208 1.00 0.00 O ATOM 1192 CB GLN A 80 9.045 6.801 10.166 1.00 0.00 C ATOM 1193 CG GLN A 80 7.668 6.787 10.834 1.00 0.00 C ATOM 1194 CD GLN A 80 7.766 6.085 12.191 1.00 0.00 C ATOM 1195 OE1 GLN A 80 7.234 5.009 12.370 1.00 0.00 O ATOM 1196 NE2 GLN A 80 8.428 6.655 13.161 1.00 0.00 N ATOM 0 H GLN A 80 8.704 5.647 7.479 1.00 0.00 H new ATOM 0 HA GLN A 80 8.388 8.305 8.763 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.458 5.793 10.140 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.736 7.413 10.746 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.305 7.806 10.965 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.948 6.272 10.197 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.875 7.559 13.011 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.498 6.196 14.069 1.00 0.00 H new ATOM 1205 N ASP A 81 11.044 8.485 8.746 1.00 0.00 N ATOM 1206 CA ASP A 81 12.414 8.796 8.258 1.00 0.00 C ATOM 1207 C ASP A 81 13.287 7.535 8.253 1.00 0.00 C ATOM 1208 O ASP A 81 13.240 6.715 9.148 1.00 0.00 O ATOM 1209 CB ASP A 81 13.039 9.853 9.177 1.00 0.00 C ATOM 1210 CG ASP A 81 12.110 11.065 9.258 1.00 0.00 C ATOM 1211 OD1 ASP A 81 11.192 11.138 8.458 1.00 0.00 O ATOM 1212 OD2 ASP A 81 12.333 11.902 10.117 1.00 0.00 O ATOM 0 H ASP A 81 10.743 9.034 9.551 1.00 0.00 H new ATOM 0 HA ASP A 81 12.353 9.174 7.237 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.201 9.437 10.171 1.00 0.00 H new ATOM 0 HB3 ASP A 81 14.015 10.153 8.795 1.00 0.00 H new ATOM 1217 N LEU A 82 14.094 7.406 7.241 1.00 0.00 N ATOM 1218 CA LEU A 82 15.015 6.247 7.107 1.00 0.00 C ATOM 1219 C LEU A 82 16.390 6.815 6.738 1.00 0.00 C ATOM 1220 O LEU A 82 16.495 7.996 6.467 1.00 0.00 O ATOM 1221 CB LEU A 82 14.482 5.322 6.004 1.00 0.00 C ATOM 1222 CG LEU A 82 13.395 4.416 6.590 1.00 0.00 C ATOM 1223 CD1 LEU A 82 12.840 3.500 5.496 1.00 0.00 C ATOM 1224 CD2 LEU A 82 13.996 3.560 7.707 1.00 0.00 C ATOM 0 H LEU A 82 14.155 8.078 6.476 1.00 0.00 H new ATOM 0 HA LEU A 82 15.089 5.667 8.027 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.077 5.912 5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 82 15.293 4.720 5.594 1.00 0.00 H new ATOM 0 HG LEU A 82 12.590 5.032 6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 82 12.067 2.857 5.917 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.413 4.105 4.697 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.645 2.884 5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.224 2.914 8.126 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.802 2.947 7.302 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.391 4.208 8.490 1.00 0.00 H new ATOM 1236 N PRO A 83 17.411 5.997 6.738 1.00 0.00 N ATOM 1237 CA PRO A 83 18.762 6.477 6.411 1.00 0.00 C ATOM 1238 C PRO A 83 18.834 6.928 4.951 1.00 0.00 C ATOM 1239 O PRO A 83 18.972 6.136 4.041 1.00 0.00 O ATOM 1240 CB PRO A 83 19.664 5.275 6.715 1.00 0.00 C ATOM 1241 CG PRO A 83 18.746 4.033 6.698 1.00 0.00 C ATOM 1242 CD PRO A 83 17.331 4.547 7.029 1.00 0.00 C ATOM 0 HA PRO A 83 19.066 7.353 6.984 1.00 0.00 H new ATOM 0 HB2 PRO A 83 20.456 5.184 5.971 1.00 0.00 H new ATOM 0 HB3 PRO A 83 20.149 5.387 7.685 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.766 3.546 5.723 1.00 0.00 H new ATOM 0 HG3 PRO A 83 19.074 3.295 7.430 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.573 4.057 6.418 1.00 0.00 H new ATOM 0 HD3 PRO A 83 17.070 4.361 8.071 1.00 0.00 H new ATOM 1250 N GLY A 84 18.731 8.215 4.738 1.00 0.00 N ATOM 1251 CA GLY A 84 18.782 8.771 3.357 1.00 0.00 C ATOM 1252 C GLY A 84 17.369 8.794 2.750 1.00 0.00 C ATOM 1253 O GLY A 84 17.164 9.316 1.674 1.00 0.00 O ATOM 0 H GLY A 84 18.612 8.911 5.474 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.195 9.779 3.377 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.444 8.167 2.737 1.00 0.00 H new ATOM 1257 N CYS A 85 16.385 8.228 3.422 1.00 0.00 N ATOM 1258 CA CYS A 85 15.000 8.227 2.858 1.00 0.00 C ATOM 1259 C CYS A 85 14.042 8.960 3.813 1.00 0.00 C ATOM 1260 O CYS A 85 13.443 8.336 4.661 1.00 0.00 O ATOM 1261 CB CYS A 85 14.512 6.783 2.685 1.00 0.00 C ATOM 1262 SG CYS A 85 15.106 6.092 1.117 1.00 0.00 S ATOM 0 H CYS A 85 16.486 7.772 4.329 1.00 0.00 H new ATOM 0 HA CYS A 85 15.016 8.733 1.893 1.00 0.00 H new ATOM 0 HB2 CYS A 85 14.866 6.172 3.515 1.00 0.00 H new ATOM 0 HB3 CYS A 85 13.423 6.756 2.711 1.00 0.00 H new ATOM 1267 N PRO A 86 13.917 10.259 3.655 1.00 0.00 N ATOM 1268 CA PRO A 86 13.035 11.074 4.518 1.00 0.00 C ATOM 1269 C PRO A 86 11.561 10.892 4.153 1.00 0.00 C ATOM 1270 O PRO A 86 11.228 10.460 3.068 1.00 0.00 O ATOM 1271 CB PRO A 86 13.475 12.512 4.234 1.00 0.00 C ATOM 1272 CG PRO A 86 14.184 12.491 2.861 1.00 0.00 C ATOM 1273 CD PRO A 86 14.621 11.037 2.609 1.00 0.00 C ATOM 0 HA PRO A 86 13.118 10.793 5.568 1.00 0.00 H new ATOM 0 HB2 PRO A 86 12.617 13.184 4.217 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.147 12.873 5.012 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.513 12.835 2.074 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.045 13.159 2.860 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.341 10.705 1.609 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.702 10.926 2.690 1.00 0.00 H new ATOM 1281 N ARG A 87 10.672 11.245 5.051 1.00 0.00 N ATOM 1282 CA ARG A 87 9.225 11.124 4.756 1.00 0.00 C ATOM 1283 C ARG A 87 8.965 11.632 3.345 1.00 0.00 C ATOM 1284 O ARG A 87 8.019 11.248 2.693 1.00 0.00 O ATOM 1285 CB ARG A 87 8.444 12.005 5.723 1.00 0.00 C ATOM 1286 CG ARG A 87 8.706 11.556 7.155 1.00 0.00 C ATOM 1287 CD ARG A 87 7.379 11.444 7.908 1.00 0.00 C ATOM 1288 NE ARG A 87 6.835 12.808 8.164 1.00 0.00 N ATOM 1289 CZ ARG A 87 7.034 13.385 9.318 1.00 0.00 C ATOM 1290 NH1 ARG A 87 7.971 12.949 10.114 1.00 0.00 N ATOM 1291 NH2 ARG A 87 6.295 14.399 9.675 1.00 0.00 N ATOM 0 H ARG A 87 10.896 11.612 5.976 1.00 0.00 H new ATOM 0 HA ARG A 87 8.918 10.083 4.854 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.739 13.047 5.599 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.378 11.947 5.503 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.219 10.594 7.157 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.361 12.268 7.656 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.666 10.860 7.325 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.527 10.917 8.851 1.00 0.00 H new ATOM 0 HE ARG A 87 6.307 13.291 7.437 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.549 12.156 9.835 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.125 13.401 11.015 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.562 14.740 9.053 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.450 14.850 10.576 1.00 0.00 H new ATOM 1305 N GLN A 88 9.792 12.529 2.890 1.00 0.00 N ATOM 1306 CA GLN A 88 9.595 13.112 1.527 1.00 0.00 C ATOM 1307 C GLN A 88 9.626 12.023 0.444 1.00 0.00 C ATOM 1308 O GLN A 88 8.677 11.852 -0.300 1.00 0.00 O ATOM 1309 CB GLN A 88 10.701 14.129 1.242 1.00 0.00 C ATOM 1310 CG GLN A 88 10.469 14.755 -0.135 1.00 0.00 C ATOM 1311 CD GLN A 88 11.258 16.061 -0.250 1.00 0.00 C ATOM 1312 OE1 GLN A 88 12.453 16.045 -0.471 1.00 0.00 O ATOM 1313 NE2 GLN A 88 10.635 17.200 -0.109 1.00 0.00 N ATOM 0 H GLN A 88 10.599 12.887 3.401 1.00 0.00 H new ATOM 0 HA GLN A 88 8.619 13.596 1.505 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.706 14.903 2.010 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.676 13.642 1.273 1.00 0.00 H new ATOM 0 HG2 GLN A 88 10.779 14.062 -0.917 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.406 14.947 -0.283 1.00 0.00 H new ATOM 0 HE21 GLN A 88 9.632 17.213 0.076 1.00 0.00 H new ATOM 0 HE22 GLN A 88 11.151 18.076 -0.184 1.00 0.00 H new ATOM 1322 N VAL A 89 10.709 11.303 0.325 1.00 0.00 N ATOM 1323 CA VAL A 89 10.801 10.261 -0.726 1.00 0.00 C ATOM 1324 C VAL A 89 9.801 9.143 -0.459 1.00 0.00 C ATOM 1325 O VAL A 89 9.164 8.637 -1.363 1.00 0.00 O ATOM 1326 CB VAL A 89 12.214 9.705 -0.709 1.00 0.00 C ATOM 1327 CG1 VAL A 89 12.386 8.691 -1.838 1.00 0.00 C ATOM 1328 CG2 VAL A 89 13.185 10.858 -0.893 1.00 0.00 C ATOM 0 H VAL A 89 11.535 11.396 0.916 1.00 0.00 H new ATOM 0 HA VAL A 89 10.570 10.693 -1.700 1.00 0.00 H new ATOM 0 HB VAL A 89 12.408 9.203 0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.402 8.296 -1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.677 7.874 -1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.203 9.178 -2.796 1.00 0.00 H new ATOM 0 HG21 VAL A 89 14.207 10.478 -0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.989 11.350 -1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.057 11.575 -0.082 1.00 0.00 H new ATOM 1338 N GLN A 90 9.652 8.755 0.771 1.00 0.00 N ATOM 1339 CA GLN A 90 8.684 7.669 1.078 1.00 0.00 C ATOM 1340 C GLN A 90 7.284 8.153 0.725 1.00 0.00 C ATOM 1341 O GLN A 90 6.415 7.377 0.394 1.00 0.00 O ATOM 1342 CB GLN A 90 8.750 7.320 2.567 1.00 0.00 C ATOM 1343 CG GLN A 90 9.021 5.822 2.730 1.00 0.00 C ATOM 1344 CD GLN A 90 10.519 5.593 2.938 1.00 0.00 C ATOM 1345 OE1 GLN A 90 11.098 4.704 2.344 1.00 0.00 O ATOM 1346 NE2 GLN A 90 11.177 6.361 3.762 1.00 0.00 N ATOM 0 H GLN A 90 10.153 9.138 1.573 1.00 0.00 H new ATOM 0 HA GLN A 90 8.928 6.779 0.498 1.00 0.00 H new ATOM 0 HB2 GLN A 90 9.537 7.897 3.052 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.813 7.586 3.055 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.461 5.431 3.580 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.679 5.282 1.847 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.692 7.107 4.261 1.00 0.00 H new ATOM 0 HE22 GLN A 90 12.176 6.215 3.907 1.00 0.00 H new ATOM 1355 N ARG A 91 7.064 9.435 0.790 1.00 0.00 N ATOM 1356 CA ARG A 91 5.721 9.980 0.449 1.00 0.00 C ATOM 1357 C ARG A 91 5.558 10.029 -1.073 1.00 0.00 C ATOM 1358 O ARG A 91 4.465 9.922 -1.592 1.00 0.00 O ATOM 1359 CB ARG A 91 5.576 11.391 1.026 1.00 0.00 C ATOM 1360 CG ARG A 91 4.100 11.799 1.017 1.00 0.00 C ATOM 1361 CD ARG A 91 3.745 12.468 2.345 1.00 0.00 C ATOM 1362 NE ARG A 91 2.766 11.619 3.083 1.00 0.00 N ATOM 1363 CZ ARG A 91 2.291 12.020 4.231 1.00 0.00 C ATOM 1364 NH1 ARG A 91 1.310 12.879 4.267 1.00 0.00 N ATOM 1365 NH2 ARG A 91 2.797 11.558 5.342 1.00 0.00 N ATOM 0 H ARG A 91 7.757 10.131 1.065 1.00 0.00 H new ATOM 0 HA ARG A 91 4.952 9.335 0.875 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.966 11.421 2.043 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.163 12.097 0.439 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.906 12.483 0.191 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.471 10.923 0.860 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.644 12.610 2.945 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.322 13.456 2.165 1.00 0.00 H new ATOM 0 HE ARG A 91 2.468 10.726 2.691 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.914 13.237 3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.939 13.192 5.164 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.563 10.885 5.312 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.427 11.870 6.240 1.00 0.00 H new ATOM 1379 N ALA A 92 6.638 10.194 -1.793 1.00 0.00 N ATOM 1380 CA ALA A 92 6.539 10.256 -3.279 1.00 0.00 C ATOM 1381 C ALA A 92 6.290 8.856 -3.845 1.00 0.00 C ATOM 1382 O ALA A 92 5.362 8.642 -4.599 1.00 0.00 O ATOM 1383 CB ALA A 92 7.843 10.815 -3.853 1.00 0.00 C ATOM 0 H ALA A 92 7.581 10.288 -1.416 1.00 0.00 H new ATOM 0 HA ALA A 92 5.709 10.905 -3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 92 7.772 10.861 -4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.015 11.816 -3.458 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.672 10.166 -3.571 1.00 0.00 H new ATOM 1389 N PHE A 93 7.115 7.900 -3.502 1.00 0.00 N ATOM 1390 CA PHE A 93 6.912 6.522 -4.041 1.00 0.00 C ATOM 1391 C PHE A 93 5.787 5.812 -3.280 1.00 0.00 C ATOM 1392 O PHE A 93 5.145 4.918 -3.795 1.00 0.00 O ATOM 1393 CB PHE A 93 8.204 5.717 -3.895 1.00 0.00 C ATOM 1394 CG PHE A 93 7.956 4.295 -4.340 1.00 0.00 C ATOM 1395 CD1 PHE A 93 7.036 4.039 -5.362 1.00 0.00 C ATOM 1396 CD2 PHE A 93 8.646 3.236 -3.737 1.00 0.00 C ATOM 1397 CE1 PHE A 93 6.802 2.725 -5.780 1.00 0.00 C ATOM 1398 CE2 PHE A 93 8.412 1.921 -4.155 1.00 0.00 C ATOM 1399 CZ PHE A 93 7.490 1.665 -5.178 1.00 0.00 C ATOM 0 H PHE A 93 7.914 8.012 -2.878 1.00 0.00 H new ATOM 0 HA PHE A 93 6.639 6.596 -5.094 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.996 6.166 -4.495 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.541 5.733 -2.859 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.506 4.856 -5.829 1.00 0.00 H new ATOM 0 HD2 PHE A 93 9.358 3.434 -2.950 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.090 2.528 -6.568 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.942 1.104 -3.689 1.00 0.00 H new ATOM 0 HZ PHE A 93 7.310 0.651 -5.502 1.00 0.00 H new ATOM 1409 N ALA A 94 5.556 6.187 -2.053 1.00 0.00 N ATOM 1410 CA ALA A 94 4.491 5.522 -1.249 1.00 0.00 C ATOM 1411 C ALA A 94 3.237 5.256 -2.094 1.00 0.00 C ATOM 1412 O ALA A 94 2.748 4.144 -2.124 1.00 0.00 O ATOM 1413 CB ALA A 94 4.114 6.408 -0.061 1.00 0.00 C ATOM 0 H ALA A 94 6.061 6.929 -1.569 1.00 0.00 H new ATOM 0 HA ALA A 94 4.882 4.567 -0.898 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.335 5.919 0.525 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.991 6.570 0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.746 7.367 -0.425 1.00 0.00 H new ATOM 1419 N PRO A 95 2.737 6.280 -2.741 1.00 0.00 N ATOM 1420 CA PRO A 95 1.523 6.167 -3.571 1.00 0.00 C ATOM 1421 C PRO A 95 1.809 5.395 -4.860 1.00 0.00 C ATOM 1422 O PRO A 95 2.809 4.713 -4.976 1.00 0.00 O ATOM 1423 CB PRO A 95 1.137 7.622 -3.852 1.00 0.00 C ATOM 1424 CG PRO A 95 2.419 8.459 -3.645 1.00 0.00 C ATOM 1425 CD PRO A 95 3.332 7.632 -2.719 1.00 0.00 C ATOM 0 HA PRO A 95 0.721 5.615 -3.081 1.00 0.00 H new ATOM 0 HB2 PRO A 95 0.759 7.735 -4.868 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.345 7.951 -3.179 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.910 8.659 -4.597 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.184 9.425 -3.198 1.00 0.00 H new ATOM 0 HD2 PRO A 95 4.361 7.621 -3.080 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.353 8.042 -1.709 1.00 0.00 H new ATOM 1433 N LYS A 96 0.928 5.477 -5.821 1.00 0.00 N ATOM 1434 CA LYS A 96 1.138 4.726 -7.091 1.00 0.00 C ATOM 1435 C LYS A 96 1.122 3.229 -6.781 1.00 0.00 C ATOM 1436 O LYS A 96 1.781 2.437 -7.424 1.00 0.00 O ATOM 1437 CB LYS A 96 2.482 5.115 -7.709 1.00 0.00 C ATOM 1438 CG LYS A 96 2.467 6.604 -8.063 1.00 0.00 C ATOM 1439 CD LYS A 96 2.192 6.770 -9.559 1.00 0.00 C ATOM 1440 CE LYS A 96 2.792 8.090 -10.046 1.00 0.00 C ATOM 1441 NZ LYS A 96 1.877 9.212 -9.693 1.00 0.00 N ATOM 0 H LYS A 96 0.073 6.031 -5.781 1.00 0.00 H new ATOM 0 HA LYS A 96 0.346 4.967 -7.800 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.291 4.904 -7.009 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.670 4.519 -8.602 1.00 0.00 H new ATOM 0 HG2 LYS A 96 1.702 7.119 -7.482 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.423 7.060 -7.805 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.623 5.936 -10.113 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.118 6.756 -9.746 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.770 8.247 -9.591 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.944 8.056 -11.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.285 10.110 -10.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.953 9.063 -10.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.753 9.248 -8.661 1.00 0.00 H new ATOM 1455 N LEU A 97 0.379 2.847 -5.778 1.00 0.00 N ATOM 1456 CA LEU A 97 0.313 1.407 -5.386 1.00 0.00 C ATOM 1457 C LEU A 97 -0.520 0.602 -6.397 1.00 0.00 C ATOM 1458 O LEU A 97 0.011 -0.194 -7.143 1.00 0.00 O ATOM 1459 CB LEU A 97 -0.318 1.290 -3.998 1.00 0.00 C ATOM 1460 CG LEU A 97 0.626 0.513 -3.082 1.00 0.00 C ATOM 1461 CD1 LEU A 97 0.738 -0.933 -3.572 1.00 0.00 C ATOM 1462 CD2 LEU A 97 2.009 1.167 -3.106 1.00 0.00 C ATOM 0 H LEU A 97 -0.190 3.474 -5.209 1.00 0.00 H new ATOM 0 HA LEU A 97 1.325 1.002 -5.372 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.509 2.281 -3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.280 0.782 -4.064 1.00 0.00 H new ATOM 0 HG LEU A 97 0.235 0.522 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.412 -1.487 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.247 -1.399 -3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.129 -0.943 -4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.684 0.614 -2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.399 1.156 -4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.930 2.197 -2.758 1.00 0.00 H new ATOM 1474 N VAL A 98 -1.819 0.781 -6.426 1.00 0.00 N ATOM 1475 CA VAL A 98 -2.653 0.000 -7.388 1.00 0.00 C ATOM 1476 C VAL A 98 -2.549 0.571 -8.803 1.00 0.00 C ATOM 1477 O VAL A 98 -3.422 0.368 -9.622 1.00 0.00 O ATOM 1478 CB VAL A 98 -4.112 0.038 -6.950 1.00 0.00 C ATOM 1479 CG1 VAL A 98 -4.189 -0.190 -5.447 1.00 0.00 C ATOM 1480 CG2 VAL A 98 -4.721 1.403 -7.286 1.00 0.00 C ATOM 0 H VAL A 98 -2.333 1.429 -5.829 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.284 -1.026 -7.395 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.666 -0.741 -7.473 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.231 -0.164 -5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.759 -1.162 -5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.632 0.592 -4.931 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.764 1.424 -6.970 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.169 2.186 -6.766 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.664 1.572 -8.361 1.00 0.00 H new ATOM 1490 N THR A 99 -1.507 1.277 -9.113 1.00 0.00 N ATOM 1491 CA THR A 99 -1.395 1.824 -10.489 1.00 0.00 C ATOM 1492 C THR A 99 -0.476 0.919 -11.308 1.00 0.00 C ATOM 1493 O THR A 99 0.124 0.003 -10.782 1.00 0.00 O ATOM 1494 CB THR A 99 -0.822 3.240 -10.445 1.00 0.00 C ATOM 1495 OG1 THR A 99 0.587 3.175 -10.274 1.00 0.00 O ATOM 1496 CG2 THR A 99 -1.447 4.003 -9.280 1.00 0.00 C ATOM 0 H THR A 99 -0.735 1.499 -8.484 1.00 0.00 H new ATOM 0 HA THR A 99 -2.383 1.861 -10.949 1.00 0.00 H new ATOM 0 HB THR A 99 -1.048 3.756 -11.378 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.792 2.816 -9.385 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.040 5.013 -9.247 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.528 4.052 -9.415 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.221 3.490 -8.346 1.00 0.00 H new ATOM 1504 N GLU A 100 -0.361 1.146 -12.592 1.00 0.00 N ATOM 1505 CA GLU A 100 0.520 0.269 -13.417 1.00 0.00 C ATOM 1506 C GLU A 100 1.986 0.299 -12.926 1.00 0.00 C ATOM 1507 O GLU A 100 2.831 -0.361 -13.498 1.00 0.00 O ATOM 1508 CB GLU A 100 0.471 0.738 -14.873 1.00 0.00 C ATOM 1509 CG GLU A 100 -0.958 0.615 -15.404 1.00 0.00 C ATOM 1510 CD GLU A 100 -0.953 0.787 -16.923 1.00 0.00 C ATOM 1511 OE1 GLU A 100 -0.022 0.309 -17.551 1.00 0.00 O ATOM 1512 OE2 GLU A 100 -1.879 1.395 -17.434 1.00 0.00 O ATOM 0 H GLU A 100 -0.834 1.893 -13.100 1.00 0.00 H new ATOM 0 HA GLU A 100 0.155 -0.754 -13.326 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.808 1.772 -14.944 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.149 0.139 -15.482 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.374 -0.357 -15.139 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.595 1.370 -14.944 1.00 0.00 H new ATOM 1519 N VAL A 101 2.322 1.047 -11.896 1.00 0.00 N ATOM 1520 CA VAL A 101 3.741 1.069 -11.448 1.00 0.00 C ATOM 1521 C VAL A 101 3.929 0.158 -10.230 1.00 0.00 C ATOM 1522 O VAL A 101 4.982 0.139 -9.624 1.00 0.00 O ATOM 1523 CB VAL A 101 4.130 2.499 -11.072 1.00 0.00 C ATOM 1524 CG1 VAL A 101 5.557 2.512 -10.523 1.00 0.00 C ATOM 1525 CG2 VAL A 101 4.051 3.392 -12.313 1.00 0.00 C ATOM 0 H VAL A 101 1.681 1.631 -11.359 1.00 0.00 H new ATOM 0 HA VAL A 101 4.374 0.711 -12.260 1.00 0.00 H new ATOM 0 HB VAL A 101 3.446 2.874 -10.311 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.834 3.531 -10.255 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.613 1.876 -9.639 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.243 2.137 -11.283 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.328 4.412 -12.046 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.735 3.018 -13.075 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.033 3.383 -12.703 1.00 0.00 H new ATOM 1535 N GLU A 102 2.928 -0.595 -9.855 1.00 0.00 N ATOM 1536 CA GLU A 102 3.089 -1.485 -8.669 1.00 0.00 C ATOM 1537 C GLU A 102 2.296 -2.785 -8.867 1.00 0.00 C ATOM 1538 O GLU A 102 2.796 -3.742 -9.425 1.00 0.00 O ATOM 1539 CB GLU A 102 2.597 -0.749 -7.419 1.00 0.00 C ATOM 1540 CG GLU A 102 3.800 -0.258 -6.611 1.00 0.00 C ATOM 1541 CD GLU A 102 4.451 -1.443 -5.897 1.00 0.00 C ATOM 1542 OE1 GLU A 102 3.931 -2.540 -6.015 1.00 0.00 O ATOM 1543 OE2 GLU A 102 5.460 -1.233 -5.242 1.00 0.00 O ATOM 0 H GLU A 102 2.017 -0.632 -10.312 1.00 0.00 H new ATOM 0 HA GLU A 102 4.141 -1.742 -8.549 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.968 0.094 -7.704 1.00 0.00 H new ATOM 0 HB3 GLU A 102 1.983 -1.413 -6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.522 0.225 -7.270 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.483 0.489 -5.884 1.00 0.00 H new ATOM 1550 N CYS A 103 1.075 -2.838 -8.408 1.00 0.00 N ATOM 1551 CA CYS A 103 0.270 -4.085 -8.567 1.00 0.00 C ATOM 1552 C CYS A 103 -1.192 -3.721 -8.867 1.00 0.00 C ATOM 1553 O CYS A 103 -2.102 -4.361 -8.379 1.00 0.00 O ATOM 1554 CB CYS A 103 0.324 -4.885 -7.261 1.00 0.00 C ATOM 1555 SG CYS A 103 2.046 -5.075 -6.731 1.00 0.00 S ATOM 0 H CYS A 103 0.600 -2.073 -7.930 1.00 0.00 H new ATOM 0 HA CYS A 103 0.676 -4.677 -9.388 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -0.250 -4.376 -6.487 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -0.133 -5.864 -7.404 1.00 0.00 H new ATOM 1560 N ASN A 104 -1.426 -2.687 -9.646 1.00 0.00 N ATOM 1561 CA ASN A 104 -2.830 -2.271 -9.957 1.00 0.00 C ATOM 1562 C ASN A 104 -3.764 -3.483 -10.070 1.00 0.00 C ATOM 1563 O ASN A 104 -4.808 -3.520 -9.450 1.00 0.00 O ATOM 1564 CB ASN A 104 -2.850 -1.494 -11.275 1.00 0.00 C ATOM 1565 CG ASN A 104 -2.326 -2.381 -12.405 1.00 0.00 C ATOM 1566 OD1 ASN A 104 -3.097 -2.968 -13.139 1.00 0.00 O ATOM 1567 ND2 ASN A 104 -1.039 -2.506 -12.576 1.00 0.00 N ATOM 0 H ASN A 104 -0.702 -2.114 -10.079 1.00 0.00 H new ATOM 0 HA ASN A 104 -3.185 -1.642 -9.140 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.865 -1.165 -11.499 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.236 -0.598 -11.189 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -0.679 -3.096 -13.326 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -0.392 -2.013 -11.960 1.00 0.00 H new ATOM 1574 N LEU A 105 -3.410 -4.471 -10.848 1.00 0.00 N ATOM 1575 CA LEU A 105 -4.302 -5.661 -10.983 1.00 0.00 C ATOM 1576 C LEU A 105 -5.770 -5.215 -11.099 1.00 0.00 C ATOM 1577 O LEU A 105 -6.666 -5.906 -10.660 1.00 0.00 O ATOM 1578 CB LEU A 105 -4.149 -6.550 -9.747 1.00 0.00 C ATOM 1579 CG LEU A 105 -2.674 -6.891 -9.534 1.00 0.00 C ATOM 1580 CD1 LEU A 105 -2.444 -7.260 -8.068 1.00 0.00 C ATOM 1581 CD2 LEU A 105 -2.291 -8.076 -10.423 1.00 0.00 C ATOM 0 H LEU A 105 -2.548 -4.507 -11.393 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.022 -6.213 -11.880 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.544 -6.039 -8.869 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.729 -7.465 -9.871 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.060 -6.028 -9.793 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.393 -7.503 -7.915 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.718 -6.417 -7.433 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.058 -8.123 -7.809 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.239 -8.320 -10.272 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.904 -8.939 -10.163 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.456 -7.815 -11.468 1.00 0.00 H new ATOM 1593 N ALA A 106 -6.028 -4.069 -11.680 1.00 0.00 N ATOM 1594 CA ALA A 106 -7.439 -3.602 -11.808 1.00 0.00 C ATOM 1595 C ALA A 106 -8.057 -3.453 -10.415 1.00 0.00 C ATOM 1596 O ALA A 106 -8.126 -4.397 -9.653 1.00 0.00 O ATOM 1597 CB ALA A 106 -8.243 -4.623 -12.616 1.00 0.00 C ATOM 0 H ALA A 106 -5.325 -3.441 -12.069 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.457 -2.639 -12.318 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -9.274 -4.282 -12.710 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.804 -4.729 -13.608 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.224 -5.586 -12.106 1.00 0.00 H new ATOM 1603 N THR A 107 -8.512 -2.277 -10.076 1.00 0.00 N ATOM 1604 CA THR A 107 -9.127 -2.077 -8.734 1.00 0.00 C ATOM 1605 C THR A 107 -10.633 -2.320 -8.853 1.00 0.00 C ATOM 1606 O THR A 107 -11.104 -2.852 -9.839 1.00 0.00 O ATOM 1607 CB THR A 107 -8.878 -0.636 -8.268 1.00 0.00 C ATOM 1608 OG1 THR A 107 -9.860 0.219 -8.834 1.00 0.00 O ATOM 1609 CG2 THR A 107 -7.505 -0.176 -8.747 1.00 0.00 C ATOM 0 H THR A 107 -8.484 -1.448 -10.670 1.00 0.00 H new ATOM 0 HA THR A 107 -8.690 -2.767 -8.013 1.00 0.00 H new ATOM 0 HB THR A 107 -8.928 -0.598 -7.180 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.475 1.108 -8.980 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.328 0.847 -8.416 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.737 -0.829 -8.332 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.467 -0.217 -9.836 1.00 0.00 H new ATOM 1617 N ILE A 108 -11.398 -1.927 -7.874 1.00 0.00 N ATOM 1618 CA ILE A 108 -12.872 -2.129 -7.956 1.00 0.00 C ATOM 1619 C ILE A 108 -13.403 -1.350 -9.165 1.00 0.00 C ATOM 1620 O ILE A 108 -14.417 -1.682 -9.746 1.00 0.00 O ATOM 1621 CB ILE A 108 -13.519 -1.614 -6.667 1.00 0.00 C ATOM 1622 CG1 ILE A 108 -14.953 -2.147 -6.555 1.00 0.00 C ATOM 1623 CG2 ILE A 108 -13.532 -0.084 -6.672 1.00 0.00 C ATOM 1624 CD1 ILE A 108 -15.836 -1.505 -7.630 1.00 0.00 C ATOM 0 H ILE A 108 -11.068 -1.475 -7.021 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.110 -3.186 -8.073 1.00 0.00 H new ATOM 0 HB ILE A 108 -12.942 -1.964 -5.811 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -14.957 -3.231 -6.669 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -15.354 -1.929 -5.565 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -13.993 0.279 -5.753 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -12.510 0.288 -6.737 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -14.103 0.272 -7.530 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.852 -1.889 -7.543 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -15.844 -0.423 -7.496 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.440 -1.745 -8.617 1.00 0.00 H new ATOM 1636 N HIS A 109 -12.703 -0.316 -9.549 1.00 0.00 N ATOM 1637 CA HIS A 109 -13.123 0.511 -10.718 1.00 0.00 C ATOM 1638 C HIS A 109 -12.791 -0.204 -12.037 1.00 0.00 C ATOM 1639 O HIS A 109 -12.816 0.397 -13.092 1.00 0.00 O ATOM 1640 CB HIS A 109 -12.365 1.837 -10.669 1.00 0.00 C ATOM 1641 CG HIS A 109 -12.779 2.615 -9.455 1.00 0.00 C ATOM 1642 ND1 HIS A 109 -13.795 3.556 -9.486 1.00 0.00 N ATOM 1643 CD2 HIS A 109 -12.311 2.611 -8.166 1.00 0.00 C ATOM 1644 CE1 HIS A 109 -13.902 4.077 -8.250 1.00 0.00 C ATOM 1645 NE2 HIS A 109 -13.021 3.534 -7.406 1.00 0.00 N ATOM 0 H HIS A 109 -11.844 -0.005 -9.095 1.00 0.00 H new ATOM 0 HA HIS A 109 -14.200 0.675 -10.671 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -11.291 1.652 -10.645 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -12.568 2.416 -11.570 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -11.512 1.985 -7.797 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -14.614 4.841 -7.974 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -12.896 3.750 -6.417 1.00 0.00 H new ATOM 1653 N GLY A 110 -12.479 -1.474 -11.999 1.00 0.00 N ATOM 1654 CA GLY A 110 -12.150 -2.192 -13.260 1.00 0.00 C ATOM 1655 C GLY A 110 -11.108 -1.392 -14.043 1.00 0.00 C ATOM 1656 O GLY A 110 -11.009 -1.499 -15.249 1.00 0.00 O ATOM 0 H GLY A 110 -12.439 -2.040 -11.152 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.767 -3.187 -13.035 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.050 -2.325 -13.861 1.00 0.00 H new ATOM 1660 N GLY A 111 -10.331 -0.587 -13.368 1.00 0.00 N ATOM 1661 CA GLY A 111 -9.300 0.217 -14.082 1.00 0.00 C ATOM 1662 C GLY A 111 -8.174 0.607 -13.116 1.00 0.00 C ATOM 1663 O GLY A 111 -8.273 0.386 -11.926 1.00 0.00 O ATOM 0 H GLY A 111 -10.366 -0.453 -12.358 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.893 -0.356 -14.915 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -9.754 1.113 -14.504 1.00 0.00 H new ATOM 1667 N PRO A 112 -7.134 1.177 -13.670 1.00 0.00 N ATOM 1668 CA PRO A 112 -5.955 1.621 -12.900 1.00 0.00 C ATOM 1669 C PRO A 112 -6.226 2.950 -12.190 1.00 0.00 C ATOM 1670 O PRO A 112 -5.726 3.984 -12.587 1.00 0.00 O ATOM 1671 CB PRO A 112 -4.876 1.798 -13.972 1.00 0.00 C ATOM 1672 CG PRO A 112 -5.615 1.990 -15.316 1.00 0.00 C ATOM 1673 CD PRO A 112 -7.036 1.431 -15.123 1.00 0.00 C ATOM 0 HA PRO A 112 -5.675 0.916 -12.117 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -4.247 2.660 -13.750 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -4.222 0.927 -14.011 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -5.648 3.044 -15.592 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -5.099 1.466 -16.120 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -7.792 2.143 -15.454 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -7.185 0.517 -15.698 1.00 0.00 H new ATOM 1681 N PHE A 113 -6.996 2.933 -11.138 1.00 0.00 N ATOM 1682 CA PHE A 113 -7.274 4.199 -10.403 1.00 0.00 C ATOM 1683 C PHE A 113 -8.355 3.961 -9.341 1.00 0.00 C ATOM 1684 O PHE A 113 -9.290 3.217 -9.561 1.00 0.00 O ATOM 1685 CB PHE A 113 -7.774 5.267 -11.378 1.00 0.00 C ATOM 1686 CG PHE A 113 -8.920 4.721 -12.202 1.00 0.00 C ATOM 1687 CD1 PHE A 113 -10.232 4.776 -11.711 1.00 0.00 C ATOM 1688 CD2 PHE A 113 -8.669 4.172 -13.464 1.00 0.00 C ATOM 1689 CE1 PHE A 113 -11.291 4.281 -12.486 1.00 0.00 C ATOM 1690 CE2 PHE A 113 -9.727 3.681 -14.240 1.00 0.00 C ATOM 1691 CZ PHE A 113 -11.038 3.734 -13.751 1.00 0.00 C ATOM 0 H PHE A 113 -7.444 2.100 -10.756 1.00 0.00 H new ATOM 0 HA PHE A 113 -6.353 4.533 -9.925 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.099 6.150 -10.828 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -6.962 5.582 -12.033 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -10.427 5.199 -10.737 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -7.658 4.127 -13.841 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -12.302 4.321 -12.108 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -9.531 3.261 -15.216 1.00 0.00 H new ATOM 0 HZ PHE A 113 -11.853 3.354 -14.348 1.00 0.00 H new