USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 732 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 100 GLN : amide:sc= -1.26! X(o=0.3!,f=-0.017) USER MOD Set 1.2: A 156 LYS NZ :NH3+ 153:sc= 1.55 (180deg=-0.188) USER MOD Set 2.1: A 90 TYR OH : rot 135:sc= 1.04 USER MOD Set 2.2: A 111 SER OG : rot 180:sc= 0.0113 USER MOD Set 2.3: A 115 HIS : no HD1:sc= 0.95 K(o=2,f=-7.4!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -44:sc= 1.19 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0454 USER MOD Single : A 72 THR OG1 : rot -128:sc= 0.463 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0529 USER MOD Single : A 82 SER OG : rot 169:sc= 0.0219 USER MOD Single : A 85 SER OG : rot 180:sc= 0.0233 USER MOD Single : A 87 SER OG : rot -120:sc= -0.483 USER MOD Single : A 93 TYR OH : rot -32:sc= -1.6 USER MOD Single : A 95 LYS NZ :NH3+ 175:sc= 0.0551 (180deg=0.0497) USER MOD Single : A 96 SER OG : rot 81:sc= 1.15 USER MOD Single : A 105 SER OG : rot 180:sc= 0.0248 USER MOD Single : A 107 ASN : amide:sc= -0.679 K(o=-0.68,f=-3.6!) USER MOD Single : A 113 SER OG : rot -95:sc= 1.28 USER MOD Single : A 117 LYS NZ :NH3+ 172:sc= 0.336 (180deg=0.313) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 123 CYS SG : rot 175:sc= -8.41! USER MOD Single : A 125 SER OG : rot -142:sc= 0.863 USER MOD Single : A 127 LYS NZ :NH3+ -130:sc= -0.196 (180deg=-2.43!) USER MOD Single : A 136 LYS NZ :NH3+ 168:sc= -1.33 (180deg=-1.51) USER MOD Single : A 140 THR OG1 : rot 75:sc= 1.19 USER MOD Single : A 141 GLN : amide:sc=-0.00121 K(o=-0.0012,f=-0.88) USER MOD Single : A 144 LYS NZ :NH3+ -179:sc= 1.2 (180deg=1.12) USER MOD Single : A 150 HIS : no HE2:sc= -0.198 K(o=-0.2,f=-6.6!) USER MOD Single : A 152 LYS NZ :NH3+ 143:sc= 1.21 (180deg=1.05) USER MOD Single : A 154 THR OG1 : rot -164:sc= 0.796 USER MOD Single : A 161 ASN :FLIP amide:sc= -2.12 F(o=-3.2!,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 67 N LYS A 67 -4.991 4.337 -13.842 1.00 0.00 N ATOM 68 CA LYS A 67 -3.740 3.913 -14.423 1.00 0.00 C ATOM 69 C LYS A 67 -2.527 4.395 -13.624 1.00 0.00 C ATOM 70 O LYS A 67 -1.950 3.614 -12.869 1.00 0.00 O ATOM 71 CB LYS A 67 -3.640 4.275 -15.913 1.00 0.00 C ATOM 72 CG LYS A 67 -4.626 3.523 -16.808 1.00 0.00 C ATOM 73 CD LYS A 67 -4.384 2.017 -16.741 1.00 0.00 C ATOM 74 CE LYS A 67 -5.318 1.242 -17.653 1.00 0.00 C ATOM 75 NZ LYS A 67 -5.075 -0.210 -17.562 1.00 0.00 N ATOM 0 HA LYS A 67 -3.728 2.825 -14.365 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.807 5.346 -16.027 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.626 4.072 -16.258 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.647 3.745 -16.498 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.524 3.866 -17.837 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.351 1.805 -17.017 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.516 1.675 -15.714 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.352 1.457 -17.385 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.180 1.572 -18.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.729 -0.712 -18.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.095 -0.416 -17.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.230 -0.527 -16.584 1.00 0.00 H new ATOM 89 N SER A 68 -2.151 5.654 -13.754 1.00 0.00 N ATOM 90 CA SER A 68 -0.983 6.139 -13.055 1.00 0.00 C ATOM 91 C SER A 68 -1.296 7.303 -12.097 1.00 0.00 C ATOM 92 O SER A 68 -2.429 7.807 -12.052 1.00 0.00 O ATOM 93 CB SER A 68 0.097 6.533 -14.059 1.00 0.00 C ATOM 94 OG SER A 68 -0.350 7.559 -14.931 1.00 0.00 O ATOM 0 H SER A 68 -2.631 6.347 -14.328 1.00 0.00 H new ATOM 0 HA SER A 68 -0.618 5.324 -12.431 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.985 6.870 -13.525 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.388 5.660 -14.643 1.00 0.00 H new ATOM 0 HG SER A 68 -1.258 7.354 -15.239 1.00 0.00 H new ATOM 100 N LEU A 69 -0.261 7.734 -11.369 1.00 0.00 N ATOM 101 CA LEU A 69 -0.319 8.817 -10.371 1.00 0.00 C ATOM 102 C LEU A 69 -0.770 10.133 -10.973 1.00 0.00 C ATOM 103 O LEU A 69 -1.450 10.927 -10.323 1.00 0.00 O ATOM 104 CB LEU A 69 1.062 9.008 -9.764 1.00 0.00 C ATOM 105 CG LEU A 69 1.597 7.847 -8.944 1.00 0.00 C ATOM 106 CD1 LEU A 69 3.051 8.062 -8.611 1.00 0.00 C ATOM 107 CD2 LEU A 69 0.802 7.718 -7.669 1.00 0.00 C ATOM 0 H LEU A 69 0.671 7.329 -11.458 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.048 8.527 -9.614 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.766 9.212 -10.571 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.039 9.894 -9.130 1.00 0.00 H new ATOM 0 HG LEU A 69 1.502 6.933 -9.530 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.418 7.221 -8.023 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.628 8.140 -9.533 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.160 8.981 -8.036 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.188 6.884 -7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.888 8.639 -7.092 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.246 7.538 -7.910 1.00 0.00 H new ATOM 119 N THR A 70 -0.411 10.353 -12.214 1.00 0.00 N ATOM 120 CA THR A 70 -0.741 11.567 -12.921 1.00 0.00 C ATOM 121 C THR A 70 -2.264 11.658 -13.158 1.00 0.00 C ATOM 122 O THR A 70 -2.815 12.720 -13.447 1.00 0.00 O ATOM 123 CB THR A 70 -0.015 11.542 -14.266 1.00 0.00 C ATOM 124 OG1 THR A 70 1.298 10.988 -14.051 1.00 0.00 O ATOM 125 CG2 THR A 70 0.123 12.951 -14.820 1.00 0.00 C ATOM 0 H THR A 70 0.125 9.686 -12.769 1.00 0.00 H new ATOM 0 HA THR A 70 -0.435 12.432 -12.333 1.00 0.00 H new ATOM 0 HB THR A 70 -0.580 10.942 -14.979 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.784 10.960 -14.901 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.642 12.916 -15.778 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.867 13.386 -14.959 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.693 13.563 -14.121 1.00 0.00 H new ATOM 133 N GLU A 71 -2.929 10.535 -13.004 1.00 0.00 N ATOM 134 CA GLU A 71 -4.349 10.435 -13.227 1.00 0.00 C ATOM 135 C GLU A 71 -5.058 10.253 -11.891 1.00 0.00 C ATOM 136 O GLU A 71 -6.240 9.917 -11.829 1.00 0.00 O ATOM 137 CB GLU A 71 -4.575 9.246 -14.137 1.00 0.00 C ATOM 138 CG GLU A 71 -3.819 9.395 -15.444 1.00 0.00 C ATOM 139 CD GLU A 71 -3.671 8.122 -16.194 1.00 0.00 C ATOM 140 OE1 GLU A 71 -2.764 7.339 -15.849 1.00 0.00 O ATOM 141 OE2 GLU A 71 -4.405 7.902 -17.172 1.00 0.00 O ATOM 0 H GLU A 71 -2.493 9.659 -12.718 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.749 11.336 -13.692 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.255 8.334 -13.632 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.640 9.140 -14.342 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.337 10.119 -16.073 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.829 9.802 -15.237 1.00 0.00 H new ATOM 148 N THR A 72 -4.330 10.488 -10.832 1.00 0.00 N ATOM 149 CA THR A 72 -4.837 10.339 -9.508 1.00 0.00 C ATOM 150 C THR A 72 -5.109 11.742 -8.888 1.00 0.00 C ATOM 151 O THR A 72 -4.510 12.744 -9.321 1.00 0.00 O ATOM 152 CB THR A 72 -3.803 9.567 -8.679 1.00 0.00 C ATOM 153 OG1 THR A 72 -3.384 8.419 -9.426 1.00 0.00 O ATOM 154 CG2 THR A 72 -4.397 9.093 -7.389 1.00 0.00 C ATOM 0 H THR A 72 -3.357 10.792 -10.873 1.00 0.00 H new ATOM 0 HA THR A 72 -5.777 9.787 -9.519 1.00 0.00 H new ATOM 0 HB THR A 72 -2.965 10.229 -8.463 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.469 7.617 -8.869 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.644 8.549 -6.820 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.740 9.950 -6.810 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.240 8.435 -7.597 1.00 0.00 H new ATOM 162 N GLU A 73 -6.016 11.814 -7.916 1.00 0.00 N ATOM 163 CA GLU A 73 -6.362 13.072 -7.272 1.00 0.00 C ATOM 164 C GLU A 73 -5.541 13.257 -5.990 1.00 0.00 C ATOM 165 O GLU A 73 -5.149 12.277 -5.357 1.00 0.00 O ATOM 166 CB GLU A 73 -7.868 13.128 -6.987 1.00 0.00 C ATOM 167 CG GLU A 73 -8.379 12.067 -6.022 1.00 0.00 C ATOM 168 CD GLU A 73 -9.879 12.099 -5.876 1.00 0.00 C ATOM 169 OE1 GLU A 73 -10.432 13.155 -5.473 1.00 0.00 O ATOM 170 OE2 GLU A 73 -10.551 11.082 -6.213 1.00 0.00 O ATOM 0 H GLU A 73 -6.526 11.007 -7.557 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.119 13.894 -7.945 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.110 14.111 -6.584 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.405 13.029 -7.930 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.072 11.082 -6.373 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.918 12.215 -5.045 1.00 0.00 H new ATOM 177 N LEU A 74 -5.293 14.497 -5.621 1.00 0.00 N ATOM 178 CA LEU A 74 -4.435 14.828 -4.500 1.00 0.00 C ATOM 179 C LEU A 74 -5.264 15.267 -3.300 1.00 0.00 C ATOM 180 O LEU A 74 -6.191 16.076 -3.419 1.00 0.00 O ATOM 181 CB LEU A 74 -3.437 15.943 -4.940 1.00 0.00 C ATOM 182 CG LEU A 74 -2.239 16.309 -4.012 1.00 0.00 C ATOM 183 CD1 LEU A 74 -2.655 17.050 -2.750 1.00 0.00 C ATOM 184 CD2 LEU A 74 -1.459 15.069 -3.652 1.00 0.00 C ATOM 0 H LEU A 74 -5.684 15.311 -6.095 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.871 13.947 -4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.025 15.650 -5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.015 16.853 -5.103 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.609 16.993 -4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.772 17.273 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.153 17.980 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.338 16.428 -2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.625 15.339 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.111 14.367 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.076 14.603 -4.560 1.00 0.00 H new ATOM 196 N LEU A 75 -4.926 14.718 -2.161 1.00 0.00 N ATOM 197 CA LEU A 75 -5.529 15.053 -0.902 1.00 0.00 C ATOM 198 C LEU A 75 -4.420 15.393 0.095 1.00 0.00 C ATOM 199 O LEU A 75 -3.373 14.735 0.107 1.00 0.00 O ATOM 200 CB LEU A 75 -6.360 13.876 -0.327 1.00 0.00 C ATOM 201 CG LEU A 75 -7.716 13.510 -0.978 1.00 0.00 C ATOM 202 CD1 LEU A 75 -8.664 14.688 -0.980 1.00 0.00 C ATOM 203 CD2 LEU A 75 -7.555 12.927 -2.374 1.00 0.00 C ATOM 0 H LEU A 75 -4.201 14.004 -2.085 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.198 15.898 -1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.731 12.986 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.550 14.094 0.724 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.156 12.727 -0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.606 14.396 -1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.849 15.008 0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.222 15.510 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.536 12.688 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.060 13.655 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.953 12.020 -2.322 1.00 0.00 H new ATOM 215 N PRO A 76 -4.579 16.454 0.877 1.00 0.00 N ATOM 216 CA PRO A 76 -3.659 16.760 1.973 1.00 0.00 C ATOM 217 C PRO A 76 -3.857 15.741 3.105 1.00 0.00 C ATOM 218 O PRO A 76 -4.989 15.372 3.415 1.00 0.00 O ATOM 219 CB PRO A 76 -4.095 18.164 2.429 1.00 0.00 C ATOM 220 CG PRO A 76 -4.964 18.670 1.327 1.00 0.00 C ATOM 221 CD PRO A 76 -5.623 17.469 0.748 1.00 0.00 C ATOM 0 HA PRO A 76 -2.608 16.720 1.686 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.638 18.122 3.373 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.234 18.814 2.584 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.702 19.378 1.704 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.376 19.195 0.574 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.526 17.196 1.294 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.914 17.625 -0.291 1.00 0.00 H new ATOM 229 N ILE A 77 -2.775 15.306 3.740 1.00 0.00 N ATOM 230 CA ILE A 77 -2.879 14.239 4.759 1.00 0.00 C ATOM 231 C ILE A 77 -3.409 14.779 6.081 1.00 0.00 C ATOM 232 O ILE A 77 -3.757 14.018 6.986 1.00 0.00 O ATOM 233 CB ILE A 77 -1.530 13.478 5.028 1.00 0.00 C ATOM 234 CG1 ILE A 77 -0.523 14.283 5.899 1.00 0.00 C ATOM 235 CG2 ILE A 77 -0.880 13.046 3.728 1.00 0.00 C ATOM 236 CD1 ILE A 77 -0.024 15.590 5.317 1.00 0.00 C ATOM 0 H ILE A 77 -1.831 15.658 3.581 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.582 13.522 4.335 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.799 12.594 5.606 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.994 14.494 6.859 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.339 13.647 6.100 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.051 12.522 3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.554 12.381 3.188 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.669 13.924 3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.670 16.058 6.015 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.486 15.397 4.373 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.868 16.257 5.144 1.00 0.00 H new ATOM 248 N THR A 78 -3.456 16.085 6.187 1.00 0.00 N ATOM 249 CA THR A 78 -3.894 16.740 7.378 1.00 0.00 C ATOM 250 C THR A 78 -5.380 16.507 7.585 1.00 0.00 C ATOM 251 O THR A 78 -5.826 16.170 8.689 1.00 0.00 O ATOM 252 CB THR A 78 -3.600 18.226 7.220 1.00 0.00 C ATOM 253 OG1 THR A 78 -3.999 18.628 5.892 1.00 0.00 O ATOM 254 CG2 THR A 78 -2.119 18.492 7.392 1.00 0.00 C ATOM 0 H THR A 78 -3.187 16.722 5.437 1.00 0.00 H new ATOM 0 HA THR A 78 -3.373 16.344 8.250 1.00 0.00 H new ATOM 0 HB THR A 78 -4.148 18.788 7.977 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.819 19.584 5.772 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.925 19.558 7.276 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.805 18.172 8.385 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.560 17.938 6.638 1.00 0.00 H new ATOM 262 N GLU A 79 -6.100 16.549 6.487 1.00 0.00 N ATOM 263 CA GLU A 79 -7.515 16.338 6.456 1.00 0.00 C ATOM 264 C GLU A 79 -7.801 14.890 6.080 1.00 0.00 C ATOM 265 O GLU A 79 -8.532 14.595 5.141 1.00 0.00 O ATOM 266 CB GLU A 79 -8.208 17.347 5.512 1.00 0.00 C ATOM 267 CG GLU A 79 -7.685 17.367 4.076 1.00 0.00 C ATOM 268 CD GLU A 79 -8.393 18.387 3.220 1.00 0.00 C ATOM 269 OE1 GLU A 79 -9.508 18.098 2.705 1.00 0.00 O ATOM 270 OE2 GLU A 79 -7.861 19.513 3.048 1.00 0.00 O ATOM 0 H GLU A 79 -5.698 16.737 5.569 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.933 16.516 7.447 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.275 17.124 5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.100 18.346 5.934 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.617 17.583 4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.807 16.378 3.634 1.00 0.00 H new ATOM 277 N ALA A 80 -7.201 13.988 6.835 1.00 0.00 N ATOM 278 CA ALA A 80 -7.316 12.551 6.618 1.00 0.00 C ATOM 279 C ALA A 80 -8.769 12.067 6.764 1.00 0.00 C ATOM 280 O ALA A 80 -9.129 10.979 6.322 1.00 0.00 O ATOM 281 CB ALA A 80 -6.396 11.796 7.556 1.00 0.00 C ATOM 0 H ALA A 80 -6.610 14.233 7.629 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.009 12.346 5.593 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.496 10.725 7.379 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.365 12.099 7.376 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.665 12.020 8.588 1.00 0.00 H new ATOM 287 N ASP A 81 -9.585 12.889 7.392 1.00 0.00 N ATOM 288 CA ASP A 81 -11.022 12.642 7.526 1.00 0.00 C ATOM 289 C ASP A 81 -11.721 12.764 6.162 1.00 0.00 C ATOM 290 O ASP A 81 -12.768 12.159 5.924 1.00 0.00 O ATOM 291 CB ASP A 81 -11.635 13.643 8.517 1.00 0.00 C ATOM 292 CG ASP A 81 -13.130 13.467 8.713 1.00 0.00 C ATOM 293 OD1 ASP A 81 -13.541 12.548 9.458 1.00 0.00 O ATOM 294 OD2 ASP A 81 -13.912 14.257 8.165 1.00 0.00 O ATOM 0 H ASP A 81 -9.275 13.756 7.830 1.00 0.00 H new ATOM 0 HA ASP A 81 -11.166 11.629 7.902 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -11.136 13.539 9.481 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.440 14.656 8.165 1.00 0.00 H new ATOM 299 N SER A 82 -11.107 13.504 5.256 1.00 0.00 N ATOM 300 CA SER A 82 -11.665 13.752 3.945 1.00 0.00 C ATOM 301 C SER A 82 -11.234 12.655 2.956 1.00 0.00 C ATOM 302 O SER A 82 -11.612 12.679 1.783 1.00 0.00 O ATOM 303 CB SER A 82 -11.188 15.118 3.439 1.00 0.00 C ATOM 304 OG SER A 82 -11.413 16.145 4.404 1.00 0.00 O ATOM 0 H SER A 82 -10.203 13.950 5.413 1.00 0.00 H new ATOM 0 HA SER A 82 -12.752 13.745 4.019 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.125 15.068 3.202 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.709 15.366 2.515 1.00 0.00 H new ATOM 0 HG SER A 82 -10.943 16.960 4.130 1.00 0.00 H new ATOM 310 N ILE A 83 -10.448 11.704 3.424 1.00 0.00 N ATOM 311 CA ILE A 83 -9.961 10.633 2.573 1.00 0.00 C ATOM 312 C ILE A 83 -11.077 9.607 2.370 1.00 0.00 C ATOM 313 O ILE A 83 -11.778 9.276 3.322 1.00 0.00 O ATOM 314 CB ILE A 83 -8.715 9.939 3.207 1.00 0.00 C ATOM 315 CG1 ILE A 83 -7.636 10.970 3.543 1.00 0.00 C ATOM 316 CG2 ILE A 83 -8.147 8.859 2.296 1.00 0.00 C ATOM 317 CD1 ILE A 83 -7.145 11.787 2.376 1.00 0.00 C ATOM 0 H ILE A 83 -10.132 11.651 4.392 1.00 0.00 H new ATOM 0 HA ILE A 83 -9.663 11.055 1.613 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.044 9.458 4.128 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -8.027 11.648 4.302 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.786 10.452 3.986 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.281 8.400 2.772 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -8.907 8.099 2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.846 9.304 1.348 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.383 12.488 2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.718 11.125 1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.978 12.340 1.943 1.00 0.00 H new ATOM 329 N PRO A 84 -11.315 9.151 1.127 1.00 0.00 N ATOM 330 CA PRO A 84 -12.323 8.125 0.852 1.00 0.00 C ATOM 331 C PRO A 84 -12.090 6.846 1.661 1.00 0.00 C ATOM 332 O PRO A 84 -10.982 6.265 1.667 1.00 0.00 O ATOM 333 CB PRO A 84 -12.119 7.819 -0.631 1.00 0.00 C ATOM 334 CG PRO A 84 -11.532 9.060 -1.193 1.00 0.00 C ATOM 335 CD PRO A 84 -10.670 9.631 -0.108 1.00 0.00 C ATOM 0 HA PRO A 84 -13.324 8.469 1.113 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.454 6.967 -0.772 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -13.062 7.571 -1.118 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.945 8.846 -2.086 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -12.311 9.764 -1.485 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.641 9.281 -0.186 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -10.640 10.720 -0.149 1.00 0.00 H new ATOM 343 N SER A 85 -13.114 6.391 2.309 1.00 0.00 N ATOM 344 CA SER A 85 -13.056 5.183 3.049 1.00 0.00 C ATOM 345 C SER A 85 -13.569 4.045 2.180 1.00 0.00 C ATOM 346 O SER A 85 -14.685 3.538 2.358 1.00 0.00 O ATOM 347 CB SER A 85 -13.821 5.345 4.367 1.00 0.00 C ATOM 348 OG SER A 85 -15.057 6.015 4.151 1.00 0.00 O ATOM 0 H SER A 85 -14.021 6.857 2.336 1.00 0.00 H new ATOM 0 HA SER A 85 -12.030 4.938 3.322 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.005 4.366 4.809 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.216 5.908 5.078 1.00 0.00 H new ATOM 0 HG SER A 85 -15.532 6.108 5.003 1.00 0.00 H new ATOM 354 N ALA A 86 -12.773 3.704 1.196 1.00 0.00 N ATOM 355 CA ALA A 86 -13.133 2.723 0.215 1.00 0.00 C ATOM 356 C ALA A 86 -11.912 1.935 -0.203 1.00 0.00 C ATOM 357 O ALA A 86 -10.823 2.164 0.324 1.00 0.00 O ATOM 358 CB ALA A 86 -13.763 3.416 -0.958 1.00 0.00 C ATOM 0 H ALA A 86 -11.847 4.108 1.057 1.00 0.00 H new ATOM 0 HA ALA A 86 -13.852 2.020 0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -14.041 2.678 -1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -14.654 3.951 -0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -13.053 4.123 -1.388 1.00 0.00 H new ATOM 364 N SER A 87 -12.076 1.048 -1.153 1.00 0.00 N ATOM 365 CA SER A 87 -11.027 0.142 -1.535 1.00 0.00 C ATOM 366 C SER A 87 -10.298 0.673 -2.761 1.00 0.00 C ATOM 367 O SER A 87 -10.927 1.132 -3.731 1.00 0.00 O ATOM 368 CB SER A 87 -11.635 -1.261 -1.802 1.00 0.00 C ATOM 369 OG SER A 87 -10.640 -2.275 -1.975 1.00 0.00 O ATOM 0 H SER A 87 -12.941 0.936 -1.682 1.00 0.00 H new ATOM 0 HA SER A 87 -10.299 0.057 -0.728 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.284 -1.534 -0.970 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.260 -1.217 -2.694 1.00 0.00 H new ATOM 0 HG SER A 87 -10.735 -2.678 -2.863 1.00 0.00 H new ATOM 375 N GLY A 88 -8.996 0.622 -2.723 1.00 0.00 N ATOM 376 CA GLY A 88 -8.215 1.075 -3.822 1.00 0.00 C ATOM 377 C GLY A 88 -6.774 1.183 -3.451 1.00 0.00 C ATOM 378 O GLY A 88 -6.307 0.495 -2.535 1.00 0.00 O ATOM 0 H GLY A 88 -8.457 0.267 -1.933 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.327 0.387 -4.660 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.581 2.046 -4.156 1.00 0.00 H new ATOM 382 N VAL A 89 -6.091 2.060 -4.107 1.00 0.00 N ATOM 383 CA VAL A 89 -4.681 2.247 -3.909 1.00 0.00 C ATOM 384 C VAL A 89 -4.410 3.713 -3.565 1.00 0.00 C ATOM 385 O VAL A 89 -5.153 4.595 -3.990 1.00 0.00 O ATOM 386 CB VAL A 89 -3.891 1.775 -5.184 1.00 0.00 C ATOM 387 CG1 VAL A 89 -4.374 2.469 -6.447 1.00 0.00 C ATOM 388 CG2 VAL A 89 -2.378 1.908 -5.021 1.00 0.00 C ATOM 0 H VAL A 89 -6.497 2.680 -4.808 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.332 1.639 -3.074 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.106 0.712 -5.293 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.799 2.111 -7.301 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.430 2.249 -6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.239 3.546 -6.345 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.883 1.568 -5.931 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.122 2.951 -4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.048 1.299 -4.179 1.00 0.00 H new ATOM 398 N TYR A 90 -3.414 3.961 -2.754 1.00 0.00 N ATOM 399 CA TYR A 90 -3.070 5.308 -2.372 1.00 0.00 C ATOM 400 C TYR A 90 -1.562 5.502 -2.429 1.00 0.00 C ATOM 401 O TYR A 90 -0.792 4.545 -2.253 1.00 0.00 O ATOM 402 CB TYR A 90 -3.622 5.661 -0.969 1.00 0.00 C ATOM 403 CG TYR A 90 -3.036 4.860 0.184 1.00 0.00 C ATOM 404 CD1 TYR A 90 -1.887 5.292 0.831 1.00 0.00 C ATOM 405 CD2 TYR A 90 -3.629 3.684 0.626 1.00 0.00 C ATOM 406 CE1 TYR A 90 -1.345 4.586 1.875 1.00 0.00 C ATOM 407 CE2 TYR A 90 -3.088 2.970 1.679 1.00 0.00 C ATOM 408 CZ TYR A 90 -1.943 3.430 2.295 1.00 0.00 C ATOM 409 OH TYR A 90 -1.391 2.727 3.344 1.00 0.00 O ATOM 0 H TYR A 90 -2.821 3.241 -2.342 1.00 0.00 H new ATOM 0 HA TYR A 90 -3.537 5.990 -3.083 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -3.442 6.720 -0.782 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.703 5.518 -0.976 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -1.409 6.204 0.506 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -4.524 3.323 0.141 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.450 4.942 2.363 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.559 2.059 2.017 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.099 2.459 3.967 1.00 0.00 H new ATOM 419 N ALA A 91 -1.158 6.714 -2.671 1.00 0.00 N ATOM 420 CA ALA A 91 0.229 7.076 -2.764 1.00 0.00 C ATOM 421 C ALA A 91 0.560 8.136 -1.734 1.00 0.00 C ATOM 422 O ALA A 91 -0.057 9.202 -1.715 1.00 0.00 O ATOM 423 CB ALA A 91 0.521 7.593 -4.151 1.00 0.00 C ATOM 0 H ALA A 91 -1.796 7.497 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 91 0.844 6.197 -2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.573 7.868 -4.223 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.298 6.817 -4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.097 8.468 -4.351 1.00 0.00 H new ATOM 429 N VAL A 92 1.522 7.841 -0.899 1.00 0.00 N ATOM 430 CA VAL A 92 1.953 8.723 0.161 1.00 0.00 C ATOM 431 C VAL A 92 3.149 9.549 -0.292 1.00 0.00 C ATOM 432 O VAL A 92 4.234 8.998 -0.629 1.00 0.00 O ATOM 433 CB VAL A 92 2.338 7.926 1.436 1.00 0.00 C ATOM 434 CG1 VAL A 92 2.841 8.852 2.532 1.00 0.00 C ATOM 435 CG2 VAL A 92 1.154 7.129 1.940 1.00 0.00 C ATOM 0 H VAL A 92 2.040 6.963 -0.935 1.00 0.00 H new ATOM 0 HA VAL A 92 1.119 9.383 0.399 1.00 0.00 H new ATOM 0 HB VAL A 92 3.142 7.241 1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.103 8.265 3.412 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.721 9.389 2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.060 9.567 2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.442 6.576 2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.335 7.807 2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.832 6.429 1.169 1.00 0.00 H new ATOM 445 N TYR A 93 2.954 10.832 -0.307 1.00 0.00 N ATOM 446 CA TYR A 93 3.958 11.772 -0.679 1.00 0.00 C ATOM 447 C TYR A 93 4.447 12.484 0.553 1.00 0.00 C ATOM 448 O TYR A 93 3.643 12.927 1.375 1.00 0.00 O ATOM 449 CB TYR A 93 3.408 12.771 -1.685 1.00 0.00 C ATOM 450 CG TYR A 93 3.032 12.152 -3.003 1.00 0.00 C ATOM 451 CD1 TYR A 93 3.959 12.064 -4.017 1.00 0.00 C ATOM 452 CD2 TYR A 93 1.762 11.659 -3.239 1.00 0.00 C ATOM 453 CE1 TYR A 93 3.650 11.511 -5.223 1.00 0.00 C ATOM 454 CE2 TYR A 93 1.445 11.097 -4.454 1.00 0.00 C ATOM 455 CZ TYR A 93 2.400 11.031 -5.442 1.00 0.00 C ATOM 456 OH TYR A 93 2.105 10.470 -6.647 1.00 0.00 O ATOM 0 H TYR A 93 2.065 11.263 -0.053 1.00 0.00 H new ATOM 0 HA TYR A 93 4.789 11.245 -1.148 1.00 0.00 H new ATOM 0 HB2 TYR A 93 2.531 13.258 -1.259 1.00 0.00 H new ATOM 0 HB3 TYR A 93 4.153 13.548 -1.857 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.957 12.443 -3.852 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.013 11.716 -2.463 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.397 11.455 -6.001 1.00 0.00 H new ATOM 0 HE2 TYR A 93 0.452 10.710 -4.631 1.00 0.00 H new ATOM 0 HH TYR A 93 2.627 10.911 -7.350 1.00 0.00 H new ATOM 466 N ASP A 94 5.753 12.610 0.668 1.00 0.00 N ATOM 467 CA ASP A 94 6.389 13.191 1.851 1.00 0.00 C ATOM 468 C ASP A 94 6.305 14.714 1.828 1.00 0.00 C ATOM 469 O ASP A 94 5.585 15.295 1.023 1.00 0.00 O ATOM 470 CB ASP A 94 7.873 12.764 1.952 1.00 0.00 C ATOM 471 CG ASP A 94 8.783 13.459 0.942 1.00 0.00 C ATOM 472 OD1 ASP A 94 8.847 13.047 -0.221 1.00 0.00 O ATOM 473 OD2 ASP A 94 9.449 14.453 1.319 1.00 0.00 O ATOM 0 H ASP A 94 6.412 12.315 -0.053 1.00 0.00 H new ATOM 0 HA ASP A 94 5.850 12.817 2.722 1.00 0.00 H new ATOM 0 HB2 ASP A 94 8.235 12.975 2.958 1.00 0.00 H new ATOM 0 HB3 ASP A 94 7.942 11.686 1.808 1.00 0.00 H new ATOM 478 N LYS A 95 7.078 15.344 2.706 1.00 0.00 N ATOM 479 CA LYS A 95 7.163 16.803 2.850 1.00 0.00 C ATOM 480 C LYS A 95 7.468 17.479 1.507 1.00 0.00 C ATOM 481 O LYS A 95 6.972 18.562 1.218 1.00 0.00 O ATOM 482 CB LYS A 95 8.294 17.152 3.825 1.00 0.00 C ATOM 483 CG LYS A 95 8.202 16.493 5.193 1.00 0.00 C ATOM 484 CD LYS A 95 6.958 16.914 5.935 1.00 0.00 C ATOM 485 CE LYS A 95 6.874 16.231 7.284 1.00 0.00 C ATOM 486 NZ LYS A 95 5.647 16.592 8.006 1.00 0.00 N ATOM 0 H LYS A 95 7.682 14.844 3.358 1.00 0.00 H new ATOM 0 HA LYS A 95 6.201 17.159 3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 95 9.244 16.872 3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.312 18.233 3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.206 15.409 5.075 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.082 16.753 5.782 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.959 17.996 6.070 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.076 16.668 5.343 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.909 15.150 7.146 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.742 16.505 7.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.586 16.040 8.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.664 17.606 8.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 4.820 16.386 7.410 1.00 0.00 H new ATOM 500 N SER A 96 8.254 16.809 0.696 1.00 0.00 N ATOM 501 CA SER A 96 8.694 17.320 -0.586 1.00 0.00 C ATOM 502 C SER A 96 7.625 17.096 -1.671 1.00 0.00 C ATOM 503 O SER A 96 7.810 17.508 -2.826 1.00 0.00 O ATOM 504 CB SER A 96 9.965 16.574 -0.969 1.00 0.00 C ATOM 505 OG SER A 96 10.844 16.482 0.149 1.00 0.00 O ATOM 0 H SER A 96 8.613 15.878 0.910 1.00 0.00 H new ATOM 0 HA SER A 96 8.871 18.393 -0.509 1.00 0.00 H new ATOM 0 HB2 SER A 96 9.714 15.575 -1.326 1.00 0.00 H new ATOM 0 HB3 SER A 96 10.463 17.090 -1.790 1.00 0.00 H new ATOM 0 HG SER A 96 10.559 15.746 0.729 1.00 0.00 H new ATOM 511 N ASP A 97 6.520 16.430 -1.286 1.00 0.00 N ATOM 512 CA ASP A 97 5.413 16.042 -2.189 1.00 0.00 C ATOM 513 C ASP A 97 5.938 14.981 -3.167 1.00 0.00 C ATOM 514 O ASP A 97 5.391 14.752 -4.225 1.00 0.00 O ATOM 515 CB ASP A 97 4.814 17.291 -2.920 1.00 0.00 C ATOM 516 CG ASP A 97 3.507 17.034 -3.682 1.00 0.00 C ATOM 517 OD1 ASP A 97 2.421 17.105 -3.078 1.00 0.00 O ATOM 518 OD2 ASP A 97 3.532 16.805 -4.901 1.00 0.00 O ATOM 0 H ASP A 97 6.366 16.140 -0.320 1.00 0.00 H new ATOM 0 HA ASP A 97 4.591 15.614 -1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 97 4.639 18.075 -2.183 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.556 17.673 -3.621 1.00 0.00 H new ATOM 523 N GLU A 98 6.995 14.300 -2.744 1.00 0.00 N ATOM 524 CA GLU A 98 7.648 13.291 -3.523 1.00 0.00 C ATOM 525 C GLU A 98 7.155 11.920 -3.034 1.00 0.00 C ATOM 526 O GLU A 98 6.687 11.794 -1.901 1.00 0.00 O ATOM 527 CB GLU A 98 9.151 13.475 -3.339 1.00 0.00 C ATOM 528 CG GLU A 98 9.965 13.330 -4.596 1.00 0.00 C ATOM 529 CD GLU A 98 10.219 11.920 -4.999 1.00 0.00 C ATOM 530 OE1 GLU A 98 9.315 11.257 -5.537 1.00 0.00 O ATOM 531 OE2 GLU A 98 11.350 11.450 -4.787 1.00 0.00 O ATOM 0 H GLU A 98 7.421 14.447 -1.829 1.00 0.00 H new ATOM 0 HA GLU A 98 7.422 13.364 -4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.332 14.464 -2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.505 12.748 -2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 98 9.451 13.842 -5.410 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.921 13.834 -4.456 1.00 0.00 H new ATOM 538 N LEU A 99 7.279 10.912 -3.852 1.00 0.00 N ATOM 539 CA LEU A 99 6.656 9.636 -3.583 1.00 0.00 C ATOM 540 C LEU A 99 7.623 8.668 -2.961 1.00 0.00 C ATOM 541 O LEU A 99 8.703 8.400 -3.492 1.00 0.00 O ATOM 542 CB LEU A 99 6.035 9.072 -4.891 1.00 0.00 C ATOM 543 CG LEU A 99 5.180 7.775 -4.848 1.00 0.00 C ATOM 544 CD1 LEU A 99 6.026 6.514 -4.693 1.00 0.00 C ATOM 545 CD2 LEU A 99 4.146 7.865 -3.742 1.00 0.00 C ATOM 0 H LEU A 99 7.811 10.946 -4.721 1.00 0.00 H new ATOM 0 HA LEU A 99 5.857 9.783 -2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.412 9.857 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.853 8.898 -5.590 1.00 0.00 H new ATOM 0 HG LEU A 99 4.674 7.694 -5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.375 5.640 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.714 6.431 -5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.594 6.569 -3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.554 6.950 -3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.649 7.992 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.491 8.717 -3.924 1.00 0.00 H new ATOM 557 N GLN A 100 7.238 8.157 -1.819 1.00 0.00 N ATOM 558 CA GLN A 100 7.994 7.122 -1.170 1.00 0.00 C ATOM 559 C GLN A 100 7.175 5.854 -0.992 1.00 0.00 C ATOM 560 O GLN A 100 7.619 4.763 -1.350 1.00 0.00 O ATOM 561 CB GLN A 100 8.640 7.551 0.170 1.00 0.00 C ATOM 562 CG GLN A 100 9.989 8.280 0.042 1.00 0.00 C ATOM 563 CD GLN A 100 9.924 9.801 -0.054 1.00 0.00 C ATOM 564 OE1 GLN A 100 10.858 10.479 0.347 1.00 0.00 O ATOM 565 NE2 GLN A 100 8.875 10.341 -0.569 1.00 0.00 N ATOM 0 H GLN A 100 6.398 8.446 -1.318 1.00 0.00 H new ATOM 0 HA GLN A 100 8.821 6.913 -1.848 1.00 0.00 H new ATOM 0 HB2 GLN A 100 7.943 8.200 0.700 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.781 6.664 0.787 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.604 8.017 0.902 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.500 7.902 -0.843 1.00 0.00 H new ATOM 0 HE21 GLN A 100 8.108 9.754 -0.897 1.00 0.00 H new ATOM 0 HE22 GLN A 100 8.811 11.356 -0.649 1.00 0.00 H new ATOM 574 N PHE A 101 5.964 5.981 -0.537 1.00 0.00 N ATOM 575 CA PHE A 101 5.202 4.805 -0.209 1.00 0.00 C ATOM 576 C PHE A 101 3.889 4.779 -0.936 1.00 0.00 C ATOM 577 O PHE A 101 3.202 5.773 -1.017 1.00 0.00 O ATOM 578 CB PHE A 101 4.984 4.730 1.323 1.00 0.00 C ATOM 579 CG PHE A 101 4.126 3.574 1.792 1.00 0.00 C ATOM 580 CD1 PHE A 101 4.648 2.299 1.875 1.00 0.00 C ATOM 581 CD2 PHE A 101 2.801 3.773 2.152 1.00 0.00 C ATOM 582 CE1 PHE A 101 3.870 1.241 2.306 1.00 0.00 C ATOM 583 CE2 PHE A 101 2.017 2.721 2.583 1.00 0.00 C ATOM 584 CZ PHE A 101 2.552 1.453 2.660 1.00 0.00 C ATOM 0 H PHE A 101 5.486 6.869 -0.385 1.00 0.00 H new ATOM 0 HA PHE A 101 5.768 3.931 -0.531 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.957 4.662 1.810 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.526 5.661 1.656 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.678 2.126 1.600 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.377 4.765 2.094 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.293 0.249 2.366 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.987 2.891 2.859 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.942 0.628 2.996 1.00 0.00 H new ATOM 594 N VAL A 102 3.574 3.647 -1.479 1.00 0.00 N ATOM 595 CA VAL A 102 2.291 3.415 -2.098 1.00 0.00 C ATOM 596 C VAL A 102 1.711 2.187 -1.467 1.00 0.00 C ATOM 597 O VAL A 102 2.457 1.274 -1.082 1.00 0.00 O ATOM 598 CB VAL A 102 2.324 3.272 -3.668 1.00 0.00 C ATOM 599 CG1 VAL A 102 2.669 4.581 -4.331 1.00 0.00 C ATOM 600 CG2 VAL A 102 3.299 2.212 -4.121 1.00 0.00 C ATOM 0 H VAL A 102 4.201 2.843 -1.510 1.00 0.00 H new ATOM 0 HA VAL A 102 1.676 4.298 -1.927 1.00 0.00 H new ATOM 0 HB VAL A 102 1.321 2.970 -3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 102 2.683 4.448 -5.413 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.923 5.330 -4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.651 4.912 -3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.288 2.149 -5.209 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.302 2.472 -3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.012 1.249 -3.699 1.00 0.00 H new ATOM 610 N GLY A 103 0.431 2.158 -1.309 1.00 0.00 N ATOM 611 CA GLY A 103 -0.173 1.042 -0.671 1.00 0.00 C ATOM 612 C GLY A 103 -1.558 0.810 -1.152 1.00 0.00 C ATOM 613 O GLY A 103 -2.211 1.723 -1.643 1.00 0.00 O ATOM 0 H GLY A 103 -0.212 2.890 -1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 103 0.428 0.151 -0.853 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -0.186 1.203 0.407 1.00 0.00 H new ATOM 617 N ILE A 104 -1.998 -0.398 -1.023 1.00 0.00 N ATOM 618 CA ILE A 104 -3.323 -0.791 -1.402 1.00 0.00 C ATOM 619 C ILE A 104 -4.115 -1.104 -0.157 1.00 0.00 C ATOM 620 O ILE A 104 -3.582 -1.696 0.790 1.00 0.00 O ATOM 621 CB ILE A 104 -3.305 -1.999 -2.376 1.00 0.00 C ATOM 622 CG1 ILE A 104 -2.416 -3.138 -1.832 1.00 0.00 C ATOM 623 CG2 ILE A 104 -2.822 -1.541 -3.737 1.00 0.00 C ATOM 624 CD1 ILE A 104 -2.374 -4.377 -2.706 1.00 0.00 C ATOM 0 H ILE A 104 -1.436 -1.160 -0.643 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.798 0.032 -1.936 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.317 -2.392 -2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.401 -2.762 -1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.774 -3.420 -0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -2.809 -2.388 -4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -3.493 -0.773 -4.122 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -1.816 -1.131 -3.647 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -1.726 -5.124 -2.247 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -3.380 -4.783 -2.810 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.985 -4.115 -3.690 1.00 0.00 H new ATOM 636 N SER A 105 -5.347 -0.693 -0.131 1.00 0.00 N ATOM 637 CA SER A 105 -6.154 -0.856 1.036 1.00 0.00 C ATOM 638 C SER A 105 -7.591 -1.185 0.654 1.00 0.00 C ATOM 639 O SER A 105 -8.058 -0.863 -0.460 1.00 0.00 O ATOM 640 CB SER A 105 -6.083 0.425 1.887 1.00 0.00 C ATOM 641 OG SER A 105 -6.851 0.330 3.077 1.00 0.00 O ATOM 0 H SER A 105 -5.817 -0.238 -0.914 1.00 0.00 H new ATOM 0 HA SER A 105 -5.774 -1.691 1.625 1.00 0.00 H new ATOM 0 HB2 SER A 105 -5.044 0.629 2.144 1.00 0.00 H new ATOM 0 HB3 SER A 105 -6.437 1.270 1.296 1.00 0.00 H new ATOM 0 HG SER A 105 -6.774 1.165 3.584 1.00 0.00 H new ATOM 647 N ARG A 106 -8.275 -1.838 1.563 1.00 0.00 N ATOM 648 CA ARG A 106 -9.652 -2.188 1.394 1.00 0.00 C ATOM 649 C ARG A 106 -10.502 -1.012 1.878 1.00 0.00 C ATOM 650 O ARG A 106 -11.634 -0.826 1.440 1.00 0.00 O ATOM 651 CB ARG A 106 -9.967 -3.462 2.189 1.00 0.00 C ATOM 652 CG ARG A 106 -11.325 -4.086 1.899 1.00 0.00 C ATOM 653 CD ARG A 106 -11.431 -4.526 0.444 1.00 0.00 C ATOM 654 NE ARG A 106 -12.667 -5.261 0.183 1.00 0.00 N ATOM 655 CZ ARG A 106 -13.243 -5.413 -1.013 1.00 0.00 C ATOM 656 NH1 ARG A 106 -12.765 -4.766 -2.090 1.00 0.00 N ATOM 657 NH2 ARG A 106 -14.310 -6.191 -1.128 1.00 0.00 N ATOM 0 H ARG A 106 -7.878 -2.143 2.452 1.00 0.00 H new ATOM 0 HA ARG A 106 -9.874 -2.389 0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.193 -4.201 1.982 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -9.911 -3.231 3.253 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -11.481 -4.944 2.553 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -12.113 -3.367 2.122 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -11.386 -3.650 -0.204 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -10.576 -5.153 0.192 1.00 0.00 H new ATOM 0 HE ARG A 106 -13.129 -5.695 0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -11.955 -4.152 -1.999 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -13.212 -4.889 -2.999 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -14.685 -6.667 -0.308 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -14.757 -6.313 -2.037 1.00 0.00 H new ATOM 671 N ASN A 107 -9.944 -0.232 2.788 1.00 0.00 N ATOM 672 CA ASN A 107 -10.579 0.974 3.278 1.00 0.00 C ATOM 673 C ASN A 107 -9.494 2.038 3.505 1.00 0.00 C ATOM 674 O ASN A 107 -8.969 2.184 4.623 1.00 0.00 O ATOM 675 CB ASN A 107 -11.385 0.713 4.562 1.00 0.00 C ATOM 676 CG ASN A 107 -12.189 1.922 5.025 1.00 0.00 C ATOM 677 OD1 ASN A 107 -13.356 2.083 4.693 1.00 0.00 O ATOM 678 ND2 ASN A 107 -11.560 2.786 5.745 1.00 0.00 N ATOM 0 H ASN A 107 -9.034 -0.420 3.208 1.00 0.00 H new ATOM 0 HA ASN A 107 -11.294 1.331 2.536 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -12.064 -0.123 4.393 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -10.702 0.413 5.357 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -12.035 3.634 6.055 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -10.587 2.622 6.005 1.00 0.00 H new ATOM 685 N ILE A 108 -9.160 2.740 2.428 1.00 0.00 N ATOM 686 CA ILE A 108 -8.047 3.703 2.352 1.00 0.00 C ATOM 687 C ILE A 108 -7.937 4.661 3.558 1.00 0.00 C ATOM 688 O ILE A 108 -6.903 4.667 4.242 1.00 0.00 O ATOM 689 CB ILE A 108 -8.085 4.499 1.009 1.00 0.00 C ATOM 690 CG1 ILE A 108 -7.927 3.536 -0.179 1.00 0.00 C ATOM 691 CG2 ILE A 108 -7.001 5.568 0.966 1.00 0.00 C ATOM 692 CD1 ILE A 108 -7.975 4.210 -1.531 1.00 0.00 C ATOM 0 H ILE A 108 -9.669 2.657 1.548 1.00 0.00 H new ATOM 0 HA ILE A 108 -7.143 3.095 2.387 1.00 0.00 H new ATOM 0 HB ILE A 108 -9.051 4.999 0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -6.978 3.009 -0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -8.715 2.785 -0.131 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.055 6.103 0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.148 6.269 1.788 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -6.022 5.098 1.062 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.856 3.462 -2.315 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.934 4.714 -1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -7.170 4.941 -1.602 1.00 0.00 H new ATOM 704 N ALA A 109 -8.997 5.428 3.821 1.00 0.00 N ATOM 705 CA ALA A 109 -9.024 6.442 4.905 1.00 0.00 C ATOM 706 C ALA A 109 -8.495 5.933 6.240 1.00 0.00 C ATOM 707 O ALA A 109 -7.682 6.604 6.883 1.00 0.00 O ATOM 708 CB ALA A 109 -10.428 6.979 5.091 1.00 0.00 C ATOM 0 H ALA A 109 -9.868 5.372 3.294 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.351 7.236 4.583 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -10.431 7.721 5.889 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -10.766 7.442 4.164 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.099 6.161 5.354 1.00 0.00 H new ATOM 714 N ALA A 110 -8.905 4.738 6.622 1.00 0.00 N ATOM 715 CA ALA A 110 -8.547 4.179 7.923 1.00 0.00 C ATOM 716 C ALA A 110 -7.070 3.861 8.019 1.00 0.00 C ATOM 717 O ALA A 110 -6.470 4.017 9.081 1.00 0.00 O ATOM 718 CB ALA A 110 -9.373 2.949 8.232 1.00 0.00 C ATOM 0 H ALA A 110 -9.490 4.129 6.050 1.00 0.00 H new ATOM 0 HA ALA A 110 -8.768 4.944 8.668 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -9.086 2.553 9.206 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -10.430 3.215 8.245 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.199 2.192 7.467 1.00 0.00 H new ATOM 724 N SER A 111 -6.482 3.445 6.917 1.00 0.00 N ATOM 725 CA SER A 111 -5.083 3.104 6.902 1.00 0.00 C ATOM 726 C SER A 111 -4.250 4.384 6.818 1.00 0.00 C ATOM 727 O SER A 111 -3.284 4.568 7.590 1.00 0.00 O ATOM 728 CB SER A 111 -4.772 2.161 5.723 1.00 0.00 C ATOM 729 OG SER A 111 -3.421 1.708 5.750 1.00 0.00 O ATOM 0 H SER A 111 -6.956 3.336 6.020 1.00 0.00 H new ATOM 0 HA SER A 111 -4.827 2.579 7.822 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.444 1.303 5.757 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.963 2.679 4.783 1.00 0.00 H new ATOM 0 HG SER A 111 -3.261 1.112 4.989 1.00 0.00 H new ATOM 735 N VAL A 112 -4.659 5.283 5.916 1.00 0.00 N ATOM 736 CA VAL A 112 -3.975 6.552 5.691 1.00 0.00 C ATOM 737 C VAL A 112 -3.863 7.348 6.980 1.00 0.00 C ATOM 738 O VAL A 112 -2.756 7.707 7.391 1.00 0.00 O ATOM 739 CB VAL A 112 -4.682 7.398 4.581 1.00 0.00 C ATOM 740 CG1 VAL A 112 -4.066 8.786 4.447 1.00 0.00 C ATOM 741 CG2 VAL A 112 -4.582 6.682 3.253 1.00 0.00 C ATOM 0 H VAL A 112 -5.477 5.146 5.322 1.00 0.00 H new ATOM 0 HA VAL A 112 -2.969 6.320 5.343 1.00 0.00 H new ATOM 0 HB VAL A 112 -5.726 7.516 4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -4.586 9.341 3.666 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -4.159 9.318 5.394 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -3.012 8.693 4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -5.076 7.274 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.533 6.547 2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.066 5.708 3.327 1.00 0.00 H new ATOM 751 N SER A 113 -4.987 7.559 7.638 1.00 0.00 N ATOM 752 CA SER A 113 -5.009 8.322 8.867 1.00 0.00 C ATOM 753 C SER A 113 -4.161 7.659 9.959 1.00 0.00 C ATOM 754 O SER A 113 -3.342 8.325 10.601 1.00 0.00 O ATOM 755 CB SER A 113 -6.454 8.533 9.331 1.00 0.00 C ATOM 756 OG SER A 113 -7.155 7.298 9.400 1.00 0.00 O ATOM 0 H SER A 113 -5.898 7.211 7.339 1.00 0.00 H new ATOM 0 HA SER A 113 -4.564 9.298 8.671 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.459 9.012 10.310 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.965 9.207 8.644 1.00 0.00 H new ATOM 0 HG SER A 113 -7.646 7.154 8.564 1.00 0.00 H new ATOM 762 N ALA A 114 -4.312 6.339 10.099 1.00 0.00 N ATOM 763 CA ALA A 114 -3.626 5.571 11.126 1.00 0.00 C ATOM 764 C ALA A 114 -2.117 5.715 11.056 1.00 0.00 C ATOM 765 O ALA A 114 -1.505 6.242 11.972 1.00 0.00 O ATOM 766 CB ALA A 114 -4.008 4.104 11.048 1.00 0.00 C ATOM 0 H ALA A 114 -4.916 5.777 9.499 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.949 5.980 12.083 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.483 3.549 11.826 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.083 4.000 11.192 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.732 3.708 10.071 1.00 0.00 H new ATOM 772 N HIS A 115 -1.514 5.310 9.949 1.00 0.00 N ATOM 773 CA HIS A 115 -0.054 5.304 9.899 1.00 0.00 C ATOM 774 C HIS A 115 0.558 6.676 9.673 1.00 0.00 C ATOM 775 O HIS A 115 1.694 6.902 10.046 1.00 0.00 O ATOM 776 CB HIS A 115 0.555 4.245 8.939 1.00 0.00 C ATOM 777 CG HIS A 115 0.252 4.398 7.469 1.00 0.00 C ATOM 778 ND1 HIS A 115 0.884 5.314 6.650 1.00 0.00 N ATOM 779 CD2 HIS A 115 -0.592 3.712 6.671 1.00 0.00 C ATOM 780 CE1 HIS A 115 0.434 5.177 5.418 1.00 0.00 C ATOM 781 NE2 HIS A 115 -0.460 4.212 5.408 1.00 0.00 N ATOM 0 H HIS A 115 -1.986 4.992 9.103 1.00 0.00 H new ATOM 0 HA HIS A 115 0.227 4.994 10.905 1.00 0.00 H new ATOM 0 HB2 HIS A 115 1.638 4.257 9.065 1.00 0.00 H new ATOM 0 HB3 HIS A 115 0.208 3.261 9.256 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -1.252 2.913 6.976 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.746 5.758 4.563 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -0.973 3.889 4.587 1.00 0.00 H new ATOM 790 N LEU A 116 -0.182 7.593 9.088 1.00 0.00 N ATOM 791 CA LEU A 116 0.373 8.921 8.835 1.00 0.00 C ATOM 792 C LEU A 116 0.312 9.813 10.054 1.00 0.00 C ATOM 793 O LEU A 116 1.171 10.663 10.249 1.00 0.00 O ATOM 794 CB LEU A 116 -0.252 9.589 7.614 1.00 0.00 C ATOM 795 CG LEU A 116 0.112 8.969 6.261 1.00 0.00 C ATOM 796 CD1 LEU A 116 -0.624 9.672 5.146 1.00 0.00 C ATOM 797 CD2 LEU A 116 1.614 9.053 6.021 1.00 0.00 C ATOM 0 H LEU A 116 -1.146 7.458 8.782 1.00 0.00 H new ATOM 0 HA LEU A 116 1.428 8.769 8.607 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -1.336 9.565 7.724 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.045 10.638 7.604 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.184 7.920 6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.355 9.220 4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.698 9.577 5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.351 10.727 5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.854 8.608 5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.925 10.098 6.026 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.139 8.514 6.809 1.00 0.00 H new ATOM 809 N LYS A 117 -0.677 9.621 10.893 1.00 0.00 N ATOM 810 CA LYS A 117 -0.733 10.410 12.106 1.00 0.00 C ATOM 811 C LYS A 117 0.060 9.715 13.214 1.00 0.00 C ATOM 812 O LYS A 117 0.316 10.289 14.279 1.00 0.00 O ATOM 813 CB LYS A 117 -2.180 10.728 12.525 1.00 0.00 C ATOM 814 CG LYS A 117 -2.988 11.503 11.466 1.00 0.00 C ATOM 815 CD LYS A 117 -2.290 12.806 11.044 1.00 0.00 C ATOM 816 CE LYS A 117 -3.109 13.601 10.019 1.00 0.00 C ATOM 817 NZ LYS A 117 -4.324 14.228 10.605 1.00 0.00 N ATOM 0 H LYS A 117 -1.433 8.948 10.768 1.00 0.00 H new ATOM 0 HA LYS A 117 -0.267 11.376 11.912 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -2.696 9.794 12.747 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -2.160 11.309 13.447 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -3.136 10.871 10.590 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -3.977 11.734 11.863 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -2.116 13.424 11.925 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -1.313 12.572 10.622 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -2.480 14.378 9.584 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -3.405 12.938 9.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -4.762 14.859 9.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -5.002 13.487 10.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -4.059 14.777 11.447 1.00 0.00 H new ATOM 831 N SER A 118 0.454 8.483 12.944 1.00 0.00 N ATOM 832 CA SER A 118 1.283 7.726 13.841 1.00 0.00 C ATOM 833 C SER A 118 2.741 8.134 13.600 1.00 0.00 C ATOM 834 O SER A 118 3.477 8.418 14.535 1.00 0.00 O ATOM 835 CB SER A 118 1.086 6.215 13.602 1.00 0.00 C ATOM 836 OG SER A 118 1.723 5.421 14.597 1.00 0.00 O ATOM 0 H SER A 118 0.202 7.985 12.090 1.00 0.00 H new ATOM 0 HA SER A 118 1.011 7.932 14.876 1.00 0.00 H new ATOM 0 HB2 SER A 118 0.020 5.988 13.587 1.00 0.00 H new ATOM 0 HB3 SER A 118 1.482 5.950 12.621 1.00 0.00 H new ATOM 0 HG SER A 118 1.570 4.472 14.406 1.00 0.00 H new ATOM 842 N VAL A 119 3.138 8.177 12.339 1.00 0.00 N ATOM 843 CA VAL A 119 4.469 8.599 11.972 1.00 0.00 C ATOM 844 C VAL A 119 4.409 9.614 10.799 1.00 0.00 C ATOM 845 O VAL A 119 4.316 9.245 9.624 1.00 0.00 O ATOM 846 CB VAL A 119 5.434 7.381 11.688 1.00 0.00 C ATOM 847 CG1 VAL A 119 4.902 6.438 10.613 1.00 0.00 C ATOM 848 CG2 VAL A 119 6.845 7.852 11.355 1.00 0.00 C ATOM 0 H VAL A 119 2.546 7.921 11.549 1.00 0.00 H new ATOM 0 HA VAL A 119 4.908 9.113 12.827 1.00 0.00 H new ATOM 0 HB VAL A 119 5.476 6.806 12.613 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.609 5.622 10.463 1.00 0.00 H new ATOM 0 HG12 VAL A 119 3.941 6.032 10.928 1.00 0.00 H new ATOM 0 HG13 VAL A 119 4.776 6.985 9.679 1.00 0.00 H new ATOM 0 HG21 VAL A 119 7.482 6.988 11.165 1.00 0.00 H new ATOM 0 HG22 VAL A 119 6.818 8.484 10.468 1.00 0.00 H new ATOM 0 HG23 VAL A 119 7.246 8.421 12.194 1.00 0.00 H new ATOM 858 N PRO A 120 4.423 10.928 11.121 1.00 0.00 N ATOM 859 CA PRO A 120 4.297 12.017 10.127 1.00 0.00 C ATOM 860 C PRO A 120 5.577 12.290 9.312 1.00 0.00 C ATOM 861 O PRO A 120 5.740 13.378 8.740 1.00 0.00 O ATOM 862 CB PRO A 120 3.935 13.254 10.978 1.00 0.00 C ATOM 863 CG PRO A 120 3.735 12.751 12.375 1.00 0.00 C ATOM 864 CD PRO A 120 4.514 11.474 12.481 1.00 0.00 C ATOM 0 HA PRO A 120 3.556 11.754 9.372 1.00 0.00 H new ATOM 0 HB2 PRO A 120 4.730 13.999 10.942 1.00 0.00 H new ATOM 0 HB3 PRO A 120 3.031 13.734 10.603 1.00 0.00 H new ATOM 0 HG2 PRO A 120 4.085 13.481 13.105 1.00 0.00 H new ATOM 0 HG3 PRO A 120 2.678 12.579 12.578 1.00 0.00 H new ATOM 0 HD2 PRO A 120 5.548 11.653 12.777 1.00 0.00 H new ATOM 0 HD3 PRO A 120 4.084 10.797 13.219 1.00 0.00 H new ATOM 872 N GLU A 121 6.426 11.293 9.198 1.00 0.00 N ATOM 873 CA GLU A 121 7.694 11.414 8.494 1.00 0.00 C ATOM 874 C GLU A 121 7.473 11.609 6.990 1.00 0.00 C ATOM 875 O GLU A 121 8.109 12.454 6.349 1.00 0.00 O ATOM 876 CB GLU A 121 8.560 10.181 8.767 1.00 0.00 C ATOM 877 CG GLU A 121 9.930 10.218 8.115 1.00 0.00 C ATOM 878 CD GLU A 121 10.776 9.037 8.497 1.00 0.00 C ATOM 879 OE1 GLU A 121 11.429 9.084 9.562 1.00 0.00 O ATOM 880 OE2 GLU A 121 10.836 8.050 7.741 1.00 0.00 O ATOM 0 H GLU A 121 6.260 10.367 9.592 1.00 0.00 H new ATOM 0 HA GLU A 121 8.216 12.297 8.864 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.687 10.073 9.844 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.029 9.295 8.418 1.00 0.00 H new ATOM 0 HG2 GLU A 121 9.814 10.243 7.032 1.00 0.00 H new ATOM 0 HG3 GLU A 121 10.442 11.137 8.402 1.00 0.00 H new ATOM 887 N LEU A 122 6.545 10.856 6.445 1.00 0.00 N ATOM 888 CA LEU A 122 6.238 10.918 5.023 1.00 0.00 C ATOM 889 C LEU A 122 4.962 11.699 4.788 1.00 0.00 C ATOM 890 O LEU A 122 4.331 11.570 3.767 1.00 0.00 O ATOM 891 CB LEU A 122 6.117 9.513 4.412 1.00 0.00 C ATOM 892 CG LEU A 122 7.375 8.637 4.431 1.00 0.00 C ATOM 893 CD1 LEU A 122 7.103 7.321 3.723 1.00 0.00 C ATOM 894 CD2 LEU A 122 8.557 9.354 3.781 1.00 0.00 C ATOM 0 H LEU A 122 5.981 10.185 6.966 1.00 0.00 H new ATOM 0 HA LEU A 122 7.064 11.431 4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 122 5.325 8.981 4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 122 5.794 9.620 3.376 1.00 0.00 H new ATOM 0 HG LEU A 122 7.635 8.437 5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.002 6.705 3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 122 6.293 6.796 4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 122 6.818 7.516 2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 122 9.435 8.708 3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.314 9.591 2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 122 8.767 10.275 4.324 1.00 0.00 H new ATOM 906 N CYS A 123 4.606 12.509 5.732 1.00 0.00 N ATOM 907 CA CYS A 123 3.402 13.288 5.628 1.00 0.00 C ATOM 908 C CYS A 123 3.606 14.592 4.884 1.00 0.00 C ATOM 909 O CYS A 123 4.236 15.523 5.390 1.00 0.00 O ATOM 910 CB CYS A 123 2.800 13.521 6.997 1.00 0.00 C ATOM 911 SG CYS A 123 2.182 12.011 7.735 1.00 0.00 S ATOM 0 H CYS A 123 5.133 12.653 6.593 1.00 0.00 H new ATOM 0 HA CYS A 123 2.697 12.708 5.032 1.00 0.00 H new ATOM 0 HB2 CYS A 123 3.552 13.961 7.652 1.00 0.00 H new ATOM 0 HB3 CYS A 123 1.987 14.242 6.916 1.00 0.00 H new ATOM 0 HG CYS A 123 1.773 12.255 8.945 1.00 0.00 H new ATOM 917 N GLY A 124 3.128 14.609 3.665 1.00 0.00 N ATOM 918 CA GLY A 124 3.106 15.796 2.856 1.00 0.00 C ATOM 919 C GLY A 124 1.787 15.879 2.135 1.00 0.00 C ATOM 920 O GLY A 124 1.015 16.828 2.326 1.00 0.00 O ATOM 0 H GLY A 124 2.739 13.787 3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 124 3.249 16.678 3.480 1.00 0.00 H new ATOM 0 HA3 GLY A 124 3.926 15.777 2.138 1.00 0.00 H new ATOM 924 N SER A 125 1.503 14.868 1.349 1.00 0.00 N ATOM 925 CA SER A 125 0.251 14.760 0.648 1.00 0.00 C ATOM 926 C SER A 125 -0.029 13.292 0.317 1.00 0.00 C ATOM 927 O SER A 125 0.833 12.433 0.511 1.00 0.00 O ATOM 928 CB SER A 125 0.260 15.631 -0.617 1.00 0.00 C ATOM 929 OG SER A 125 1.359 15.310 -1.468 1.00 0.00 O ATOM 0 H SER A 125 2.142 14.091 1.178 1.00 0.00 H new ATOM 0 HA SER A 125 -0.551 15.127 1.288 1.00 0.00 H new ATOM 0 HB2 SER A 125 -0.674 15.493 -1.161 1.00 0.00 H new ATOM 0 HB3 SER A 125 0.313 16.683 -0.335 1.00 0.00 H new ATOM 0 HG SER A 125 1.714 16.131 -1.868 1.00 0.00 H new ATOM 935 N VAL A 126 -1.221 13.001 -0.121 1.00 0.00 N ATOM 936 CA VAL A 126 -1.577 11.656 -0.485 1.00 0.00 C ATOM 937 C VAL A 126 -2.483 11.672 -1.716 1.00 0.00 C ATOM 938 O VAL A 126 -3.378 12.498 -1.831 1.00 0.00 O ATOM 939 CB VAL A 126 -2.250 10.882 0.718 1.00 0.00 C ATOM 940 CG1 VAL A 126 -3.520 11.564 1.208 1.00 0.00 C ATOM 941 CG2 VAL A 126 -2.527 9.420 0.373 1.00 0.00 C ATOM 0 H VAL A 126 -1.970 13.683 -0.236 1.00 0.00 H new ATOM 0 HA VAL A 126 -0.663 11.115 -0.732 1.00 0.00 H new ATOM 0 HB VAL A 126 -1.527 10.906 1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -3.944 10.993 2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -3.284 12.573 1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -4.243 11.615 0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.989 8.926 1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -3.200 9.369 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -1.590 8.920 0.128 1.00 0.00 H new ATOM 951 N LYS A 127 -2.197 10.833 -2.658 1.00 0.00 N ATOM 952 CA LYS A 127 -3.044 10.687 -3.815 1.00 0.00 C ATOM 953 C LYS A 127 -3.785 9.374 -3.702 1.00 0.00 C ATOM 954 O LYS A 127 -3.164 8.342 -3.493 1.00 0.00 O ATOM 955 CB LYS A 127 -2.256 10.766 -5.148 1.00 0.00 C ATOM 956 CG LYS A 127 -1.784 12.173 -5.545 1.00 0.00 C ATOM 957 CD LYS A 127 -1.197 12.186 -6.959 1.00 0.00 C ATOM 958 CE LYS A 127 -1.004 13.608 -7.523 1.00 0.00 C ATOM 959 NZ LYS A 127 0.069 14.399 -6.859 1.00 0.00 N ATOM 0 H LYS A 127 -1.375 10.228 -2.655 1.00 0.00 H new ATOM 0 HA LYS A 127 -3.748 11.519 -3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -1.385 10.115 -5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -2.884 10.372 -5.947 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -2.622 12.868 -5.491 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -1.034 12.521 -4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -0.236 11.672 -6.951 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -1.854 11.625 -7.623 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -0.778 13.535 -8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.945 14.151 -7.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -0.303 15.333 -6.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 0.392 13.899 -6.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 0.868 14.518 -7.514 1.00 0.00 H new ATOM 973 N VAL A 128 -5.095 9.407 -3.792 1.00 0.00 N ATOM 974 CA VAL A 128 -5.875 8.188 -3.641 1.00 0.00 C ATOM 975 C VAL A 128 -6.560 7.807 -4.942 1.00 0.00 C ATOM 976 O VAL A 128 -7.128 8.663 -5.649 1.00 0.00 O ATOM 977 CB VAL A 128 -6.922 8.266 -2.484 1.00 0.00 C ATOM 978 CG1 VAL A 128 -6.246 8.551 -1.152 1.00 0.00 C ATOM 979 CG2 VAL A 128 -8.006 9.298 -2.767 1.00 0.00 C ATOM 0 H VAL A 128 -5.642 10.250 -3.967 1.00 0.00 H new ATOM 0 HA VAL A 128 -5.160 7.410 -3.373 1.00 0.00 H new ATOM 0 HB VAL A 128 -7.404 7.290 -2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -6.999 8.600 -0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -5.536 7.755 -0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -5.718 9.503 -1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -8.713 9.320 -1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -7.551 10.282 -2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -8.531 9.032 -3.684 1.00 0.00 H new ATOM 989 N GLY A 129 -6.491 6.558 -5.273 1.00 0.00 N ATOM 990 CA GLY A 129 -7.093 6.093 -6.465 1.00 0.00 C ATOM 991 C GLY A 129 -8.115 5.040 -6.184 1.00 0.00 C ATOM 992 O GLY A 129 -7.768 3.872 -5.945 1.00 0.00 O ATOM 0 H GLY A 129 -6.017 5.841 -4.724 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -7.562 6.927 -6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -6.327 5.691 -7.129 1.00 0.00 H new ATOM 996 N ILE A 130 -9.367 5.443 -6.148 1.00 0.00 N ATOM 997 CA ILE A 130 -10.444 4.495 -6.008 1.00 0.00 C ATOM 998 C ILE A 130 -10.619 3.824 -7.334 1.00 0.00 C ATOM 999 O ILE A 130 -10.976 4.463 -8.333 1.00 0.00 O ATOM 1000 CB ILE A 130 -11.783 5.139 -5.535 1.00 0.00 C ATOM 1001 CG1 ILE A 130 -11.627 5.774 -4.143 1.00 0.00 C ATOM 1002 CG2 ILE A 130 -12.920 4.112 -5.529 1.00 0.00 C ATOM 1003 CD1 ILE A 130 -11.120 4.821 -3.081 1.00 0.00 C ATOM 0 H ILE A 130 -9.661 6.418 -6.214 1.00 0.00 H new ATOM 0 HA ILE A 130 -10.182 3.781 -5.228 1.00 0.00 H new ATOM 0 HB ILE A 130 -12.039 5.925 -6.245 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -10.941 6.618 -4.216 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -12.591 6.173 -3.827 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -13.841 4.590 -5.195 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -13.060 3.719 -6.536 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -12.669 3.295 -4.852 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -11.038 5.347 -2.130 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -11.816 3.989 -2.977 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -10.140 4.441 -3.371 1.00 0.00 H new ATOM 1015 N VAL A 131 -10.307 2.572 -7.357 1.00 0.00 N ATOM 1016 CA VAL A 131 -10.326 1.827 -8.563 1.00 0.00 C ATOM 1017 C VAL A 131 -11.613 1.033 -8.695 1.00 0.00 C ATOM 1018 O VAL A 131 -12.186 0.583 -7.699 1.00 0.00 O ATOM 1019 CB VAL A 131 -9.087 0.903 -8.690 1.00 0.00 C ATOM 1020 CG1 VAL A 131 -7.796 1.713 -8.705 1.00 0.00 C ATOM 1021 CG2 VAL A 131 -9.050 -0.137 -7.586 1.00 0.00 C ATOM 0 H VAL A 131 -10.031 2.037 -6.534 1.00 0.00 H new ATOM 0 HA VAL A 131 -10.283 2.542 -9.385 1.00 0.00 H new ATOM 0 HB VAL A 131 -9.173 0.378 -9.641 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -6.944 1.039 -8.795 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -7.807 2.399 -9.552 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -7.712 2.282 -7.779 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -8.168 -0.766 -7.708 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -9.009 0.362 -6.618 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -9.946 -0.755 -7.638 1.00 0.00 H new ATOM 1031 N GLU A 132 -12.068 0.895 -9.916 1.00 0.00 N ATOM 1032 CA GLU A 132 -13.291 0.165 -10.231 1.00 0.00 C ATOM 1033 C GLU A 132 -13.101 -1.336 -10.044 1.00 0.00 C ATOM 1034 O GLU A 132 -14.013 -2.039 -9.596 1.00 0.00 O ATOM 1035 CB GLU A 132 -13.672 0.451 -11.664 1.00 0.00 C ATOM 1036 CG GLU A 132 -13.880 1.915 -11.937 1.00 0.00 C ATOM 1037 CD GLU A 132 -13.968 2.203 -13.393 1.00 0.00 C ATOM 1038 OE1 GLU A 132 -12.918 2.367 -14.026 1.00 0.00 O ATOM 1039 OE2 GLU A 132 -15.091 2.292 -13.936 1.00 0.00 O ATOM 0 H GLU A 132 -11.601 1.287 -10.734 1.00 0.00 H new ATOM 0 HA GLU A 132 -14.080 0.492 -9.554 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -12.892 0.071 -12.324 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -14.586 -0.091 -11.906 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -14.794 2.249 -11.445 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -13.058 2.485 -11.504 1.00 0.00 H new ATOM 1046 N GLU A 133 -11.919 -1.810 -10.389 1.00 0.00 N ATOM 1047 CA GLU A 133 -11.569 -3.214 -10.283 1.00 0.00 C ATOM 1048 C GLU A 133 -10.913 -3.445 -8.916 1.00 0.00 C ATOM 1049 O GLU A 133 -9.766 -3.074 -8.716 1.00 0.00 O ATOM 1050 CB GLU A 133 -10.568 -3.574 -11.378 1.00 0.00 C ATOM 1051 CG GLU A 133 -11.015 -3.262 -12.802 1.00 0.00 C ATOM 1052 CD GLU A 133 -12.194 -4.076 -13.252 1.00 0.00 C ATOM 1053 OE1 GLU A 133 -12.010 -5.249 -13.639 1.00 0.00 O ATOM 1054 OE2 GLU A 133 -13.324 -3.561 -13.264 1.00 0.00 O ATOM 0 H GLU A 133 -11.167 -1.226 -10.754 1.00 0.00 H new ATOM 0 HA GLU A 133 -12.462 -3.830 -10.390 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -9.636 -3.043 -11.183 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -10.348 -4.639 -11.310 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -11.266 -2.204 -12.872 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -10.182 -3.437 -13.482 1.00 0.00 H new ATOM 1061 N PRO A 134 -11.616 -4.053 -7.967 1.00 0.00 N ATOM 1062 CA PRO A 134 -11.127 -4.209 -6.598 1.00 0.00 C ATOM 1063 C PRO A 134 -10.416 -5.539 -6.357 1.00 0.00 C ATOM 1064 O PRO A 134 -10.378 -6.042 -5.221 1.00 0.00 O ATOM 1065 CB PRO A 134 -12.425 -4.170 -5.819 1.00 0.00 C ATOM 1066 CG PRO A 134 -13.398 -4.894 -6.698 1.00 0.00 C ATOM 1067 CD PRO A 134 -12.958 -4.651 -8.124 1.00 0.00 C ATOM 0 HA PRO A 134 -10.386 -3.456 -6.329 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -12.323 -4.658 -4.850 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -12.745 -3.146 -5.628 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -13.405 -5.960 -6.471 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -14.412 -4.527 -6.538 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -12.921 -5.577 -8.697 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -13.639 -3.980 -8.647 1.00 0.00 H new ATOM 1075 N ASP A 135 -9.839 -6.091 -7.388 1.00 0.00 N ATOM 1076 CA ASP A 135 -9.174 -7.372 -7.266 1.00 0.00 C ATOM 1077 C ASP A 135 -7.725 -7.165 -6.897 1.00 0.00 C ATOM 1078 O ASP A 135 -7.103 -6.214 -7.362 1.00 0.00 O ATOM 1079 CB ASP A 135 -9.270 -8.177 -8.558 1.00 0.00 C ATOM 1080 CG ASP A 135 -8.668 -9.561 -8.406 1.00 0.00 C ATOM 1081 OD1 ASP A 135 -7.449 -9.715 -8.589 1.00 0.00 O ATOM 1082 OD2 ASP A 135 -9.416 -10.504 -8.060 1.00 0.00 O ATOM 0 H ASP A 135 -9.812 -5.681 -8.322 1.00 0.00 H new ATOM 0 HA ASP A 135 -9.675 -7.937 -6.480 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -10.315 -8.266 -8.854 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -8.757 -7.643 -9.358 1.00 0.00 H new ATOM 1087 N LYS A 136 -7.197 -8.061 -6.078 1.00 0.00 N ATOM 1088 CA LYS A 136 -5.817 -8.010 -5.611 1.00 0.00 C ATOM 1089 C LYS A 136 -4.786 -7.909 -6.720 1.00 0.00 C ATOM 1090 O LYS A 136 -3.768 -7.224 -6.539 1.00 0.00 O ATOM 1091 CB LYS A 136 -5.515 -9.174 -4.673 1.00 0.00 C ATOM 1092 CG LYS A 136 -5.882 -8.895 -3.221 1.00 0.00 C ATOM 1093 CD LYS A 136 -4.889 -7.928 -2.561 1.00 0.00 C ATOM 1094 CE LYS A 136 -3.633 -8.635 -2.005 1.00 0.00 C ATOM 1095 NZ LYS A 136 -2.891 -9.461 -2.995 1.00 0.00 N ATOM 0 H LYS A 136 -7.721 -8.856 -5.713 1.00 0.00 H new ATOM 0 HA LYS A 136 -5.729 -7.077 -5.055 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -6.058 -10.055 -5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -4.453 -9.412 -4.732 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -6.886 -8.474 -3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -5.903 -9.832 -2.664 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -4.583 -7.177 -3.290 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -5.390 -7.400 -1.750 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -2.957 -7.880 -1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -3.931 -9.272 -1.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -1.967 -9.729 -2.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -3.438 -10.319 -3.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -2.749 -8.913 -3.867 1.00 0.00 H new ATOM 1109 N ALA A 137 -5.042 -8.539 -7.867 1.00 0.00 N ATOM 1110 CA ALA A 137 -4.108 -8.458 -8.980 1.00 0.00 C ATOM 1111 C ALA A 137 -4.057 -7.046 -9.466 1.00 0.00 C ATOM 1112 O ALA A 137 -3.002 -6.460 -9.553 1.00 0.00 O ATOM 1113 CB ALA A 137 -4.516 -9.353 -10.136 1.00 0.00 C ATOM 0 H ALA A 137 -5.875 -9.101 -8.044 1.00 0.00 H new ATOM 0 HA ALA A 137 -3.134 -8.791 -8.622 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -3.789 -9.259 -10.943 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -4.552 -10.389 -9.799 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -5.500 -9.055 -10.497 1.00 0.00 H new ATOM 1119 N VAL A 138 -5.230 -6.484 -9.689 1.00 0.00 N ATOM 1120 CA VAL A 138 -5.365 -5.152 -10.249 1.00 0.00 C ATOM 1121 C VAL A 138 -4.907 -4.089 -9.241 1.00 0.00 C ATOM 1122 O VAL A 138 -4.326 -3.068 -9.623 1.00 0.00 O ATOM 1123 CB VAL A 138 -6.822 -4.874 -10.713 1.00 0.00 C ATOM 1124 CG1 VAL A 138 -6.908 -3.558 -11.468 1.00 0.00 C ATOM 1125 CG2 VAL A 138 -7.341 -6.018 -11.576 1.00 0.00 C ATOM 0 H VAL A 138 -6.120 -6.940 -9.486 1.00 0.00 H new ATOM 0 HA VAL A 138 -4.721 -5.097 -11.127 1.00 0.00 H new ATOM 0 HB VAL A 138 -7.450 -4.800 -9.825 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -7.937 -3.386 -11.782 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -6.586 -2.744 -10.818 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -6.263 -3.599 -12.345 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -8.362 -5.803 -11.890 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -6.707 -6.127 -12.456 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -7.326 -6.944 -11.001 1.00 0.00 H new ATOM 1135 N LEU A 139 -5.154 -4.345 -7.961 1.00 0.00 N ATOM 1136 CA LEU A 139 -4.696 -3.467 -6.892 1.00 0.00 C ATOM 1137 C LEU A 139 -3.176 -3.402 -6.882 1.00 0.00 C ATOM 1138 O LEU A 139 -2.593 -2.321 -6.965 1.00 0.00 O ATOM 1139 CB LEU A 139 -5.202 -3.946 -5.516 1.00 0.00 C ATOM 1140 CG LEU A 139 -6.718 -3.931 -5.288 1.00 0.00 C ATOM 1141 CD1 LEU A 139 -7.055 -4.491 -3.915 1.00 0.00 C ATOM 1142 CD2 LEU A 139 -7.270 -2.522 -5.427 1.00 0.00 C ATOM 0 H LEU A 139 -5.674 -5.161 -7.637 1.00 0.00 H new ATOM 0 HA LEU A 139 -5.103 -2.474 -7.080 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -4.846 -4.964 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -4.738 -3.325 -4.750 1.00 0.00 H new ATOM 0 HG LEU A 139 -7.181 -4.561 -6.048 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -8.135 -4.473 -3.770 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -6.696 -5.518 -3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -6.575 -3.884 -3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -8.347 -2.535 -5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -6.798 -1.872 -4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -7.062 -2.147 -6.429 1.00 0.00 H new ATOM 1154 N THR A 140 -2.542 -4.566 -6.831 1.00 0.00 N ATOM 1155 CA THR A 140 -1.092 -4.654 -6.800 1.00 0.00 C ATOM 1156 C THR A 140 -0.496 -4.165 -8.135 1.00 0.00 C ATOM 1157 O THR A 140 0.597 -3.608 -8.180 1.00 0.00 O ATOM 1158 CB THR A 140 -0.659 -6.108 -6.522 1.00 0.00 C ATOM 1159 OG1 THR A 140 -1.378 -6.595 -5.367 1.00 0.00 O ATOM 1160 CG2 THR A 140 0.837 -6.185 -6.246 1.00 0.00 C ATOM 0 H THR A 140 -3.016 -5.469 -6.810 1.00 0.00 H new ATOM 0 HA THR A 140 -0.718 -4.015 -6.000 1.00 0.00 H new ATOM 0 HB THR A 140 -0.882 -6.716 -7.399 1.00 0.00 H new ATOM 0 HG1 THR A 140 -2.305 -6.790 -5.617 1.00 0.00 H new ATOM 0 HG21 THR A 140 1.119 -7.220 -6.053 1.00 0.00 H new ATOM 0 HG22 THR A 140 1.386 -5.815 -7.112 1.00 0.00 H new ATOM 0 HG23 THR A 140 1.078 -5.575 -5.376 1.00 0.00 H new ATOM 1168 N GLN A 141 -1.245 -4.358 -9.192 1.00 0.00 N ATOM 1169 CA GLN A 141 -0.877 -3.931 -10.524 1.00 0.00 C ATOM 1170 C GLN A 141 -0.813 -2.403 -10.569 1.00 0.00 C ATOM 1171 O GLN A 141 0.186 -1.834 -10.994 1.00 0.00 O ATOM 1172 CB GLN A 141 -1.934 -4.434 -11.481 1.00 0.00 C ATOM 1173 CG GLN A 141 -1.655 -4.246 -12.932 1.00 0.00 C ATOM 1174 CD GLN A 141 -2.843 -4.678 -13.767 1.00 0.00 C ATOM 1175 OE1 GLN A 141 -3.618 -5.565 -13.385 1.00 0.00 O ATOM 1176 NE2 GLN A 141 -3.003 -4.067 -14.883 1.00 0.00 N ATOM 0 H GLN A 141 -2.150 -4.827 -9.152 1.00 0.00 H new ATOM 0 HA GLN A 141 0.100 -4.328 -10.801 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -2.084 -5.498 -11.297 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -2.874 -3.934 -11.246 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -1.426 -3.199 -13.131 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -0.775 -4.824 -13.216 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -2.345 -3.341 -15.166 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -3.789 -4.307 -15.488 1.00 0.00 H new ATOM 1185 N ALA A 142 -1.879 -1.753 -10.095 1.00 0.00 N ATOM 1186 CA ALA A 142 -1.943 -0.295 -10.041 1.00 0.00 C ATOM 1187 C ALA A 142 -0.844 0.223 -9.146 1.00 0.00 C ATOM 1188 O ALA A 142 -0.147 1.169 -9.491 1.00 0.00 O ATOM 1189 CB ALA A 142 -3.305 0.169 -9.544 1.00 0.00 C ATOM 0 H ALA A 142 -2.714 -2.220 -9.741 1.00 0.00 H new ATOM 0 HA ALA A 142 -1.803 0.104 -11.046 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -3.329 1.258 -9.512 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -4.081 -0.191 -10.219 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -3.482 -0.227 -8.544 1.00 0.00 H new ATOM 1195 N TRP A 143 -0.687 -0.449 -8.019 1.00 0.00 N ATOM 1196 CA TRP A 143 0.356 -0.186 -7.042 1.00 0.00 C ATOM 1197 C TRP A 143 1.729 -0.184 -7.724 1.00 0.00 C ATOM 1198 O TRP A 143 2.546 0.726 -7.523 1.00 0.00 O ATOM 1199 CB TRP A 143 0.289 -1.301 -5.970 1.00 0.00 C ATOM 1200 CG TRP A 143 1.373 -1.278 -4.941 1.00 0.00 C ATOM 1201 CD1 TRP A 143 1.365 -0.618 -3.756 1.00 0.00 C ATOM 1202 CD2 TRP A 143 2.621 -1.983 -5.004 1.00 0.00 C ATOM 1203 NE1 TRP A 143 2.553 -0.828 -3.097 1.00 0.00 N ATOM 1204 CE2 TRP A 143 3.336 -1.666 -3.846 1.00 0.00 C ATOM 1205 CE3 TRP A 143 3.203 -2.836 -5.945 1.00 0.00 C ATOM 1206 CZ2 TRP A 143 4.606 -2.171 -3.602 1.00 0.00 C ATOM 1207 CZ3 TRP A 143 4.457 -3.339 -5.698 1.00 0.00 C ATOM 1208 CH2 TRP A 143 5.147 -3.003 -4.535 1.00 0.00 C ATOM 0 H TRP A 143 -1.301 -1.217 -7.750 1.00 0.00 H new ATOM 0 HA TRP A 143 0.210 0.791 -6.581 1.00 0.00 H new ATOM 0 HB2 TRP A 143 -0.672 -1.232 -5.460 1.00 0.00 H new ATOM 0 HB3 TRP A 143 0.313 -2.267 -6.475 1.00 0.00 H new ATOM 0 HD1 TRP A 143 0.547 -0.017 -3.386 1.00 0.00 H new ATOM 0 HE1 TRP A 143 2.810 -0.425 -2.196 1.00 0.00 H new ATOM 0 HE3 TRP A 143 2.676 -3.095 -6.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 143 5.146 -1.913 -2.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 143 4.915 -4.004 -6.415 1.00 0.00 H new ATOM 0 HH2 TRP A 143 6.133 -3.411 -4.370 1.00 0.00 H new ATOM 1219 N LYS A 144 1.950 -1.194 -8.546 1.00 0.00 N ATOM 1220 CA LYS A 144 3.204 -1.379 -9.234 1.00 0.00 C ATOM 1221 C LYS A 144 3.443 -0.269 -10.255 1.00 0.00 C ATOM 1222 O LYS A 144 4.532 0.299 -10.312 1.00 0.00 O ATOM 1223 CB LYS A 144 3.267 -2.764 -9.885 1.00 0.00 C ATOM 1224 CG LYS A 144 4.645 -3.129 -10.384 1.00 0.00 C ATOM 1225 CD LYS A 144 4.705 -4.557 -10.879 1.00 0.00 C ATOM 1226 CE LYS A 144 6.120 -4.931 -11.294 1.00 0.00 C ATOM 1227 NZ LYS A 144 6.574 -4.181 -12.477 1.00 0.00 N ATOM 0 H LYS A 144 1.255 -1.912 -8.753 1.00 0.00 H new ATOM 0 HA LYS A 144 4.006 -1.320 -8.498 1.00 0.00 H new ATOM 0 HB2 LYS A 144 2.940 -3.512 -9.163 1.00 0.00 H new ATOM 0 HB3 LYS A 144 2.566 -2.798 -10.719 1.00 0.00 H new ATOM 0 HG2 LYS A 144 4.930 -2.453 -11.190 1.00 0.00 H new ATOM 0 HG3 LYS A 144 5.370 -2.992 -9.582 1.00 0.00 H new ATOM 0 HD2 LYS A 144 4.362 -5.232 -10.095 1.00 0.00 H new ATOM 0 HD3 LYS A 144 4.029 -4.681 -11.725 1.00 0.00 H new ATOM 0 HE2 LYS A 144 6.801 -4.742 -10.464 1.00 0.00 H new ATOM 0 HE3 LYS A 144 6.163 -5.999 -11.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 7.536 -4.483 -12.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 5.931 -4.367 -13.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 6.575 -3.163 -12.263 1.00 0.00 H new ATOM 1241 N LEU A 145 2.420 0.066 -11.029 1.00 0.00 N ATOM 1242 CA LEU A 145 2.541 1.153 -11.992 1.00 0.00 C ATOM 1243 C LEU A 145 2.847 2.472 -11.296 1.00 0.00 C ATOM 1244 O LEU A 145 3.704 3.230 -11.753 1.00 0.00 O ATOM 1245 CB LEU A 145 1.301 1.291 -12.897 1.00 0.00 C ATOM 1246 CG LEU A 145 1.245 0.402 -14.162 1.00 0.00 C ATOM 1247 CD1 LEU A 145 1.272 -1.080 -13.832 1.00 0.00 C ATOM 1248 CD2 LEU A 145 0.019 0.740 -14.989 1.00 0.00 C ATOM 0 H LEU A 145 1.509 -0.392 -11.011 1.00 0.00 H new ATOM 0 HA LEU A 145 3.379 0.897 -12.640 1.00 0.00 H new ATOM 0 HB2 LEU A 145 0.418 1.077 -12.295 1.00 0.00 H new ATOM 0 HB3 LEU A 145 1.227 2.332 -13.212 1.00 0.00 H new ATOM 0 HG LEU A 145 2.142 0.614 -14.744 1.00 0.00 H new ATOM 0 HD11 LEU A 145 1.231 -1.659 -14.755 1.00 0.00 H new ATOM 0 HD12 LEU A 145 2.191 -1.317 -13.296 1.00 0.00 H new ATOM 0 HD13 LEU A 145 0.414 -1.330 -13.208 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -0.007 0.107 -15.876 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -0.879 0.570 -14.395 1.00 0.00 H new ATOM 0 HD23 LEU A 145 0.061 1.786 -15.291 1.00 0.00 H new ATOM 1260 N TRP A 146 2.183 2.714 -10.181 1.00 0.00 N ATOM 1261 CA TRP A 146 2.376 3.922 -9.395 1.00 0.00 C ATOM 1262 C TRP A 146 3.804 4.040 -8.851 1.00 0.00 C ATOM 1263 O TRP A 146 4.468 5.087 -9.039 1.00 0.00 O ATOM 1264 CB TRP A 146 1.356 4.000 -8.258 1.00 0.00 C ATOM 1265 CG TRP A 146 -0.052 4.334 -8.696 1.00 0.00 C ATOM 1266 CD1 TRP A 146 -0.586 4.248 -9.955 1.00 0.00 C ATOM 1267 CD2 TRP A 146 -1.096 4.821 -7.858 1.00 0.00 C ATOM 1268 NE1 TRP A 146 -1.894 4.644 -9.938 1.00 0.00 N ATOM 1269 CE2 TRP A 146 -2.232 5.004 -8.665 1.00 0.00 C ATOM 1270 CE3 TRP A 146 -1.178 5.120 -6.499 1.00 0.00 C ATOM 1271 CZ2 TRP A 146 -3.431 5.476 -8.153 1.00 0.00 C ATOM 1272 CZ3 TRP A 146 -2.365 5.588 -5.996 1.00 0.00 C ATOM 1273 CH2 TRP A 146 -3.477 5.762 -6.816 1.00 0.00 C ATOM 0 H TRP A 146 1.490 2.075 -9.791 1.00 0.00 H new ATOM 0 HA TRP A 146 2.217 4.767 -10.065 1.00 0.00 H new ATOM 0 HB2 TRP A 146 1.342 3.044 -7.734 1.00 0.00 H new ATOM 0 HB3 TRP A 146 1.687 4.752 -7.541 1.00 0.00 H new ATOM 0 HD1 TRP A 146 -0.051 3.916 -10.833 1.00 0.00 H new ATOM 0 HE1 TRP A 146 -2.517 4.667 -10.745 1.00 0.00 H new ATOM 0 HE3 TRP A 146 -0.322 4.986 -5.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 146 -4.296 5.613 -8.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 146 -2.439 5.826 -4.945 1.00 0.00 H new ATOM 0 HH2 TRP A 146 -4.397 6.131 -6.387 1.00 0.00 H new ATOM 1284 N ILE A 147 4.299 2.981 -8.207 1.00 0.00 N ATOM 1285 CA ILE A 147 5.652 3.015 -7.664 1.00 0.00 C ATOM 1286 C ILE A 147 6.675 3.189 -8.791 1.00 0.00 C ATOM 1287 O ILE A 147 7.604 4.004 -8.676 1.00 0.00 O ATOM 1288 CB ILE A 147 6.009 1.780 -6.745 1.00 0.00 C ATOM 1289 CG1 ILE A 147 7.444 1.904 -6.191 1.00 0.00 C ATOM 1290 CG2 ILE A 147 5.822 0.455 -7.465 1.00 0.00 C ATOM 1291 CD1 ILE A 147 7.894 0.742 -5.321 1.00 0.00 C ATOM 0 H ILE A 147 3.794 2.109 -8.052 1.00 0.00 H new ATOM 0 HA ILE A 147 5.695 3.881 -7.004 1.00 0.00 H new ATOM 0 HB ILE A 147 5.311 1.792 -5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 147 8.135 2.001 -7.029 1.00 0.00 H new ATOM 0 HG13 ILE A 147 7.516 2.824 -5.610 1.00 0.00 H new ATOM 0 HG21 ILE A 147 6.080 -0.364 -6.793 1.00 0.00 H new ATOM 0 HG22 ILE A 147 4.783 0.354 -7.778 1.00 0.00 H new ATOM 0 HG23 ILE A 147 6.469 0.423 -8.341 1.00 0.00 H new ATOM 0 HD11 ILE A 147 8.914 0.918 -4.978 1.00 0.00 H new ATOM 0 HD12 ILE A 147 7.232 0.654 -4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 147 7.860 -0.181 -5.900 1.00 0.00 H new ATOM 1303 N GLU A 148 6.451 2.499 -9.909 1.00 0.00 N ATOM 1304 CA GLU A 148 7.343 2.581 -11.044 1.00 0.00 C ATOM 1305 C GLU A 148 7.364 3.963 -11.677 1.00 0.00 C ATOM 1306 O GLU A 148 8.401 4.379 -12.186 1.00 0.00 O ATOM 1307 CB GLU A 148 7.068 1.522 -12.081 1.00 0.00 C ATOM 1308 CG GLU A 148 7.418 0.120 -11.653 1.00 0.00 C ATOM 1309 CD GLU A 148 7.215 -0.844 -12.774 1.00 0.00 C ATOM 1310 OE1 GLU A 148 8.035 -0.853 -13.722 1.00 0.00 O ATOM 1311 OE2 GLU A 148 6.230 -1.581 -12.771 1.00 0.00 O ATOM 0 H GLU A 148 5.654 1.877 -10.044 1.00 0.00 H new ATOM 0 HA GLU A 148 8.337 2.391 -10.640 1.00 0.00 H new ATOM 0 HB2 GLU A 148 6.011 1.555 -12.343 1.00 0.00 H new ATOM 0 HB3 GLU A 148 7.628 1.763 -12.985 1.00 0.00 H new ATOM 0 HG2 GLU A 148 8.456 0.085 -11.321 1.00 0.00 H new ATOM 0 HG3 GLU A 148 6.801 -0.170 -10.802 1.00 0.00 H new ATOM 1318 N GLU A 149 6.228 4.679 -11.645 1.00 0.00 N ATOM 1319 CA GLU A 149 6.190 6.067 -12.138 1.00 0.00 C ATOM 1320 C GLU A 149 7.229 6.905 -11.410 1.00 0.00 C ATOM 1321 O GLU A 149 7.947 7.702 -12.005 1.00 0.00 O ATOM 1322 CB GLU A 149 4.804 6.703 -11.979 1.00 0.00 C ATOM 1323 CG GLU A 149 3.727 6.104 -12.865 1.00 0.00 C ATOM 1324 CD GLU A 149 4.037 6.236 -14.338 1.00 0.00 C ATOM 1325 OE1 GLU A 149 3.735 7.277 -14.930 1.00 0.00 O ATOM 1326 OE2 GLU A 149 4.580 5.291 -14.937 1.00 0.00 O ATOM 0 H GLU A 149 5.338 4.329 -11.290 1.00 0.00 H new ATOM 0 HA GLU A 149 6.416 6.039 -13.204 1.00 0.00 H new ATOM 0 HB2 GLU A 149 4.493 6.609 -10.938 1.00 0.00 H new ATOM 0 HB3 GLU A 149 4.881 7.769 -12.194 1.00 0.00 H new ATOM 0 HG2 GLU A 149 3.605 5.049 -12.618 1.00 0.00 H new ATOM 0 HG3 GLU A 149 2.776 6.593 -12.654 1.00 0.00 H new ATOM 1333 N HIS A 150 7.346 6.707 -10.125 1.00 0.00 N ATOM 1334 CA HIS A 150 8.372 7.418 -9.418 1.00 0.00 C ATOM 1335 C HIS A 150 9.735 6.757 -9.491 1.00 0.00 C ATOM 1336 O HIS A 150 10.745 7.432 -9.402 1.00 0.00 O ATOM 1337 CB HIS A 150 7.975 7.900 -8.031 1.00 0.00 C ATOM 1338 CG HIS A 150 7.284 9.248 -8.078 1.00 0.00 C ATOM 1339 ND1 HIS A 150 7.720 10.362 -7.391 1.00 0.00 N ATOM 1340 CD2 HIS A 150 6.171 9.652 -8.745 1.00 0.00 C ATOM 1341 CE1 HIS A 150 6.918 11.371 -7.631 1.00 0.00 C ATOM 1342 NE2 HIS A 150 5.972 10.971 -8.445 1.00 0.00 N ATOM 0 H HIS A 150 6.766 6.083 -9.564 1.00 0.00 H new ATOM 0 HA HIS A 150 8.489 8.346 -9.978 1.00 0.00 H new ATOM 0 HB2 HIS A 150 7.313 7.168 -7.568 1.00 0.00 H new ATOM 0 HB3 HIS A 150 8.863 7.969 -7.403 1.00 0.00 H new ATOM 0 HD1 HIS A 150 8.542 10.396 -6.788 1.00 0.00 H new ATOM 0 HD2 HIS A 150 5.557 9.044 -9.392 1.00 0.00 H new ATOM 0 HE1 HIS A 150 7.020 12.367 -7.225 1.00 0.00 H new ATOM 1351 N ILE A 151 9.781 5.458 -9.676 1.00 0.00 N ATOM 1352 CA ILE A 151 11.063 4.781 -9.898 1.00 0.00 C ATOM 1353 C ILE A 151 11.739 5.317 -11.177 1.00 0.00 C ATOM 1354 O ILE A 151 12.921 5.615 -11.173 1.00 0.00 O ATOM 1355 CB ILE A 151 10.943 3.219 -9.967 1.00 0.00 C ATOM 1356 CG1 ILE A 151 10.443 2.657 -8.628 1.00 0.00 C ATOM 1357 CG2 ILE A 151 12.287 2.580 -10.343 1.00 0.00 C ATOM 1358 CD1 ILE A 151 10.256 1.147 -8.616 1.00 0.00 C ATOM 0 H ILE A 151 8.965 4.846 -9.680 1.00 0.00 H new ATOM 0 HA ILE A 151 11.680 5.006 -9.028 1.00 0.00 H new ATOM 0 HB ILE A 151 10.218 2.972 -10.743 1.00 0.00 H new ATOM 0 HG12 ILE A 151 11.150 2.930 -7.845 1.00 0.00 H new ATOM 0 HG13 ILE A 151 9.494 3.131 -8.380 1.00 0.00 H new ATOM 0 HG21 ILE A 151 12.176 1.496 -10.384 1.00 0.00 H new ATOM 0 HG22 ILE A 151 12.605 2.949 -11.318 1.00 0.00 H new ATOM 0 HG23 ILE A 151 13.036 2.840 -9.595 1.00 0.00 H new ATOM 0 HD11 ILE A 151 9.901 0.832 -7.635 1.00 0.00 H new ATOM 0 HD12 ILE A 151 9.525 0.865 -9.374 1.00 0.00 H new ATOM 0 HD13 ILE A 151 11.208 0.661 -8.831 1.00 0.00 H new ATOM 1370 N LYS A 152 10.961 5.503 -12.230 1.00 0.00 N ATOM 1371 CA LYS A 152 11.500 5.981 -13.499 1.00 0.00 C ATOM 1372 C LYS A 152 11.962 7.456 -13.432 1.00 0.00 C ATOM 1373 O LYS A 152 12.947 7.829 -14.077 1.00 0.00 O ATOM 1374 CB LYS A 152 10.498 5.759 -14.654 1.00 0.00 C ATOM 1375 CG LYS A 152 9.193 6.516 -14.495 1.00 0.00 C ATOM 1376 CD LYS A 152 8.173 6.194 -15.578 1.00 0.00 C ATOM 1377 CE LYS A 152 7.751 4.732 -15.555 1.00 0.00 C ATOM 1378 NZ LYS A 152 6.649 4.465 -16.499 1.00 0.00 N ATOM 0 H LYS A 152 9.956 5.332 -12.235 1.00 0.00 H new ATOM 0 HA LYS A 152 12.389 5.385 -13.704 1.00 0.00 H new ATOM 0 HB2 LYS A 152 10.968 6.058 -15.591 1.00 0.00 H new ATOM 0 HB3 LYS A 152 10.281 4.694 -14.733 1.00 0.00 H new ATOM 0 HG2 LYS A 152 8.763 6.284 -13.521 1.00 0.00 H new ATOM 0 HG3 LYS A 152 9.398 7.586 -14.506 1.00 0.00 H new ATOM 0 HD2 LYS A 152 7.295 6.826 -15.447 1.00 0.00 H new ATOM 0 HD3 LYS A 152 8.595 6.433 -16.554 1.00 0.00 H new ATOM 0 HE2 LYS A 152 8.605 4.103 -15.806 1.00 0.00 H new ATOM 0 HE3 LYS A 152 7.440 4.459 -14.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 6.782 3.529 -16.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 5.743 4.485 -15.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 6.644 5.193 -17.242 1.00 0.00 H new ATOM 1392 N VAL A 153 11.270 8.295 -12.660 1.00 0.00 N ATOM 1393 CA VAL A 153 11.669 9.703 -12.591 1.00 0.00 C ATOM 1394 C VAL A 153 12.659 10.014 -11.439 1.00 0.00 C ATOM 1395 O VAL A 153 13.616 10.754 -11.637 1.00 0.00 O ATOM 1396 CB VAL A 153 10.446 10.691 -12.587 1.00 0.00 C ATOM 1397 CG1 VAL A 153 9.550 10.492 -11.381 1.00 0.00 C ATOM 1398 CG2 VAL A 153 10.898 12.147 -12.696 1.00 0.00 C ATOM 0 H VAL A 153 10.461 8.040 -12.094 1.00 0.00 H new ATOM 0 HA VAL A 153 12.215 9.878 -13.518 1.00 0.00 H new ATOM 0 HB VAL A 153 9.855 10.455 -13.472 1.00 0.00 H new ATOM 0 HG11 VAL A 153 8.720 11.197 -11.424 1.00 0.00 H new ATOM 0 HG12 VAL A 153 9.161 9.474 -11.381 1.00 0.00 H new ATOM 0 HG13 VAL A 153 10.124 10.662 -10.470 1.00 0.00 H new ATOM 0 HG21 VAL A 153 10.025 12.800 -12.690 1.00 0.00 H new ATOM 0 HG22 VAL A 153 11.541 12.393 -11.851 1.00 0.00 H new ATOM 0 HG23 VAL A 153 11.450 12.288 -13.625 1.00 0.00 H new ATOM 1408 N THR A 154 12.457 9.436 -10.271 1.00 0.00 N ATOM 1409 CA THR A 154 13.309 9.750 -9.128 1.00 0.00 C ATOM 1410 C THR A 154 14.080 8.506 -8.600 1.00 0.00 C ATOM 1411 O THR A 154 15.240 8.614 -8.204 1.00 0.00 O ATOM 1412 CB THR A 154 12.501 10.516 -8.001 1.00 0.00 C ATOM 1413 OG1 THR A 154 13.264 10.709 -6.811 1.00 0.00 O ATOM 1414 CG2 THR A 154 11.206 9.819 -7.660 1.00 0.00 C ATOM 0 H THR A 154 11.722 8.754 -10.084 1.00 0.00 H new ATOM 0 HA THR A 154 14.082 10.436 -9.474 1.00 0.00 H new ATOM 0 HB THR A 154 12.275 11.495 -8.423 1.00 0.00 H new ATOM 0 HG1 THR A 154 12.665 10.951 -6.074 1.00 0.00 H new ATOM 0 HG21 THR A 154 10.685 10.379 -6.883 1.00 0.00 H new ATOM 0 HG22 THR A 154 10.578 9.762 -8.549 1.00 0.00 H new ATOM 0 HG23 THR A 154 11.418 8.812 -7.301 1.00 0.00 H new ATOM 1422 N GLY A 155 13.457 7.326 -8.649 1.00 0.00 N ATOM 1423 CA GLY A 155 14.162 6.095 -8.262 1.00 0.00 C ATOM 1424 C GLY A 155 14.352 5.931 -6.765 1.00 0.00 C ATOM 1425 O GLY A 155 15.369 5.390 -6.325 1.00 0.00 O ATOM 0 H GLY A 155 12.490 7.194 -8.945 1.00 0.00 H new ATOM 0 HA2 GLY A 155 13.608 5.237 -8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 155 15.139 6.082 -8.744 1.00 0.00 H new ATOM 1429 N LYS A 156 13.387 6.394 -5.995 1.00 0.00 N ATOM 1430 CA LYS A 156 13.451 6.340 -4.528 1.00 0.00 C ATOM 1431 C LYS A 156 13.441 4.904 -3.986 1.00 0.00 C ATOM 1432 O LYS A 156 14.435 4.458 -3.426 1.00 0.00 O ATOM 1433 CB LYS A 156 12.307 7.165 -3.917 1.00 0.00 C ATOM 1434 CG LYS A 156 12.367 8.632 -4.299 1.00 0.00 C ATOM 1435 CD LYS A 156 13.536 9.356 -3.630 1.00 0.00 C ATOM 1436 CE LYS A 156 13.189 9.820 -2.228 1.00 0.00 C ATOM 1437 NZ LYS A 156 12.320 11.016 -2.256 1.00 0.00 N ATOM 0 H LYS A 156 12.534 6.819 -6.357 1.00 0.00 H new ATOM 0 HA LYS A 156 14.405 6.775 -4.230 1.00 0.00 H new ATOM 0 HB2 LYS A 156 11.353 6.749 -4.241 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.341 7.076 -2.831 1.00 0.00 H new ATOM 0 HG2 LYS A 156 12.459 8.720 -5.382 1.00 0.00 H new ATOM 0 HG3 LYS A 156 11.432 9.117 -4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 156 14.399 8.691 -3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 156 13.825 10.215 -4.235 1.00 0.00 H new ATOM 0 HE2 LYS A 156 12.687 9.016 -1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 156 14.104 10.046 -1.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 11.742 11.046 -1.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 12.909 11.872 -2.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 11.697 10.973 -3.088 1.00 0.00 H new ATOM 1451 N VAL A 157 12.308 4.208 -4.181 1.00 0.00 N ATOM 1452 CA VAL A 157 12.066 2.816 -3.703 1.00 0.00 C ATOM 1453 C VAL A 157 12.606 2.536 -2.252 1.00 0.00 C ATOM 1454 O VAL A 157 13.674 1.946 -2.047 1.00 0.00 O ATOM 1455 CB VAL A 157 12.454 1.702 -4.760 1.00 0.00 C ATOM 1456 CG1 VAL A 157 13.938 1.695 -5.126 1.00 0.00 C ATOM 1457 CG2 VAL A 157 11.986 0.319 -4.318 1.00 0.00 C ATOM 0 H VAL A 157 11.511 4.597 -4.685 1.00 0.00 H new ATOM 0 HA VAL A 157 10.983 2.741 -3.608 1.00 0.00 H new ATOM 0 HB VAL A 157 11.921 1.966 -5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 157 14.130 0.907 -5.854 1.00 0.00 H new ATOM 0 HG12 VAL A 157 14.212 2.659 -5.555 1.00 0.00 H new ATOM 0 HG13 VAL A 157 14.533 1.514 -4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 157 12.270 -0.418 -5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 157 12.451 0.065 -3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 157 10.902 0.321 -4.204 1.00 0.00 H new ATOM 1467 N PRO A 158 11.885 3.033 -1.235 1.00 0.00 N ATOM 1468 CA PRO A 158 12.296 2.931 0.163 1.00 0.00 C ATOM 1469 C PRO A 158 11.768 1.660 0.889 1.00 0.00 C ATOM 1470 O PRO A 158 10.782 1.034 0.445 1.00 0.00 O ATOM 1471 CB PRO A 158 11.675 4.188 0.759 1.00 0.00 C ATOM 1472 CG PRO A 158 10.412 4.371 0.007 1.00 0.00 C ATOM 1473 CD PRO A 158 10.613 3.751 -1.358 1.00 0.00 C ATOM 0 HA PRO A 158 13.378 2.849 0.267 1.00 0.00 H new ATOM 0 HB2 PRO A 158 11.488 4.070 1.826 1.00 0.00 H new ATOM 0 HB3 PRO A 158 12.334 5.049 0.644 1.00 0.00 H new ATOM 0 HG2 PRO A 158 9.581 3.895 0.528 1.00 0.00 H new ATOM 0 HG3 PRO A 158 10.167 5.429 -0.083 1.00 0.00 H new ATOM 0 HD2 PRO A 158 9.796 3.076 -1.614 1.00 0.00 H new ATOM 0 HD3 PRO A 158 10.656 4.510 -2.139 1.00 0.00 H new ATOM 1481 N PRO A 159 12.409 1.293 2.045 1.00 0.00 N ATOM 1482 CA PRO A 159 12.065 0.097 2.851 1.00 0.00 C ATOM 1483 C PRO A 159 10.575 -0.033 3.191 1.00 0.00 C ATOM 1484 O PRO A 159 10.057 -1.144 3.273 1.00 0.00 O ATOM 1485 CB PRO A 159 12.871 0.291 4.136 1.00 0.00 C ATOM 1486 CG PRO A 159 14.050 1.086 3.714 1.00 0.00 C ATOM 1487 CD PRO A 159 13.558 2.019 2.648 1.00 0.00 C ATOM 0 HA PRO A 159 12.293 -0.813 2.295 1.00 0.00 H new ATOM 0 HB2 PRO A 159 12.289 0.814 4.895 1.00 0.00 H new ATOM 0 HB3 PRO A 159 13.169 -0.665 4.566 1.00 0.00 H new ATOM 0 HG2 PRO A 159 14.469 1.640 4.554 1.00 0.00 H new ATOM 0 HG3 PRO A 159 14.840 0.440 3.333 1.00 0.00 H new ATOM 0 HD2 PRO A 159 13.251 2.978 3.066 1.00 0.00 H new ATOM 0 HD3 PRO A 159 14.332 2.227 1.909 1.00 0.00 H new ATOM 1495 N GLY A 160 9.901 1.095 3.396 1.00 0.00 N ATOM 1496 CA GLY A 160 8.478 1.094 3.707 1.00 0.00 C ATOM 1497 C GLY A 160 7.653 0.451 2.639 1.00 0.00 C ATOM 1498 O GLY A 160 6.826 -0.404 2.910 1.00 0.00 O ATOM 0 H GLY A 160 10.321 2.024 3.352 1.00 0.00 H new ATOM 0 HA2 GLY A 160 8.317 0.570 4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 160 8.141 2.121 3.851 1.00 0.00 H new ATOM 1502 N ASN A 161 7.949 0.805 1.423 1.00 0.00 N ATOM 1503 CA ASN A 161 7.182 0.365 0.267 1.00 0.00 C ATOM 1504 C ASN A 161 7.558 -1.086 -0.049 1.00 0.00 C ATOM 1505 O ASN A 161 6.760 -1.882 -0.563 1.00 0.00 O ATOM 1506 CB ASN A 161 7.540 1.299 -0.890 1.00 0.00 C ATOM 1507 CG ASN A 161 6.575 1.286 -2.050 1.00 0.00 C ATOM 1508 OD1 ASN A 161 6.451 2.414 -2.696 1.00 0.00 O flip ATOM 1509 ND2 ASN A 161 5.940 0.308 -2.349 1.00 0.00 N flip ATOM 0 H ASN A 161 8.735 1.413 1.191 1.00 0.00 H new ATOM 0 HA ASN A 161 6.108 0.402 0.447 1.00 0.00 H new ATOM 0 HB2 ASN A 161 7.608 2.317 -0.506 1.00 0.00 H new ATOM 0 HB3 ASN A 161 8.530 1.031 -1.259 1.00 0.00 H new ATOM 0 HD21 ASN A 161 6.060 -0.558 -1.824 1.00 0.00 H new ATOM 0 HD22 ASN A 161 5.282 0.346 -3.127 1.00 0.00 H new