USER MOD reduce.3.24.130724 H: found=0, std=0, add=1019, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1021 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 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 55:sc= 0.585 USER MOD Set 2.1: A 33 GLN : amide:sc= -3.22! C(o=-3.2!,f=-3.8!) USER MOD Set 2.2: A 37 GLN :FLIP amide:sc=-0.00286 F(o=-3.9,f=-3.2) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 160:sc= 0.499 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 145:sc= -0.132 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 64:sc= 0.892 USER MOD Single : A 31 THR OG1 : rot -114:sc= 0.501 USER MOD Single : A 32 THR OG1 : rot -130:sc= -0.279 USER MOD Single : A 40 THR OG1 : rot -56:sc= -0.644 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -9.84! C(o=-9.8!,f=-14!) USER MOD Single : A 56 MET CE :methyl 144:sc= 0 (180deg=-0.859) USER MOD Single : A 60 ASN : amide:sc= -0.261 K(o=-0.26,f=-2.6!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -2:sc= 0.743 USER MOD Single : A 72 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00246) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -7.76! C(o=-12!,f=-7.8!) USER MOD Single : A 77 LYS NZ :NH3+ -169:sc=0.000634 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.0554 X(o=-0.055,f=-0.41) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -2.65! USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0333 USER MOD Single : A 98 LYS NZ :NH3+ 154:sc= -0.0515 (180deg=-0.875) USER MOD Single : A 99 ASN : amide:sc= 0.567 K(o=0.57,f=0) USER MOD Single : A 102 THR OG1 : rot 46:sc= -4.66! USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 151:sc= -4.21 (180deg=-9.42!) USER MOD Single : A 119 THR OG1 : rot 78:sc= 0.982 USER MOD Single : A 121 GLN : amide:sc= -0.0695 K(o=-0.069,f=-1.2) USER MOD Single : A 124 GLN : amide:sc= -8.62! C(o=-8.6!,f=-18!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ -121:sc= -0.324 (180deg=-3.2!) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 THR OG1 : rot -105:sc= -1.02 USER MOD Single : A 137 TYR OH : rot 50:sc= -0.969 USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 20.093 -0.365 5.648 1.00 0.00 N ATOM 67 CA ILE A 8 18.973 -1.248 5.952 1.00 0.00 C ATOM 68 C ILE A 8 18.409 -1.877 4.682 1.00 0.00 C ATOM 69 O ILE A 8 18.240 -1.219 3.656 1.00 0.00 O ATOM 70 CB ILE A 8 17.846 -0.497 6.683 1.00 0.00 C ATOM 71 CG1 ILE A 8 18.044 -0.585 8.198 1.00 0.00 C ATOM 72 CG2 ILE A 8 16.489 -1.061 6.287 1.00 0.00 C ATOM 73 CD1 ILE A 8 16.753 -0.498 8.982 1.00 0.00 C ATOM 0 HA ILE A 8 19.358 -2.032 6.604 1.00 0.00 H new ATOM 0 HB ILE A 8 17.880 0.553 6.391 1.00 0.00 H new ATOM 0 HG12 ILE A 8 18.542 -1.524 8.437 1.00 0.00 H new ATOM 0 HG13 ILE A 8 18.708 0.218 8.517 1.00 0.00 H new ATOM 0 HG21 ILE A 8 15.702 -0.519 6.812 1.00 0.00 H new ATOM 0 HG22 ILE A 8 16.349 -0.951 5.212 1.00 0.00 H new ATOM 0 HG23 ILE A 8 16.442 -2.117 6.553 1.00 0.00 H new ATOM 0 HD11 ILE A 8 16.969 -0.567 10.048 1.00 0.00 H new ATOM 0 HD12 ILE A 8 16.263 0.453 8.772 1.00 0.00 H new ATOM 0 HD13 ILE A 8 16.095 -1.317 8.691 1.00 0.00 H new ATOM 85 N PRO A 9 18.109 -3.183 4.752 1.00 0.00 N ATOM 86 CA PRO A 9 17.557 -3.930 3.618 1.00 0.00 C ATOM 87 C PRO A 9 16.059 -3.702 3.448 1.00 0.00 C ATOM 88 O PRO A 9 15.342 -3.461 4.420 1.00 0.00 O ATOM 89 CB PRO A 9 17.837 -5.389 3.984 1.00 0.00 C ATOM 90 CG PRO A 9 17.868 -5.407 5.473 1.00 0.00 C ATOM 91 CD PRO A 9 18.284 -4.030 5.944 1.00 0.00 C ATOM 0 HA PRO A 9 18.001 -3.621 2.672 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.062 -6.050 3.596 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.784 -5.728 3.564 1.00 0.00 H new ATOM 0 HG2 PRO A 9 16.888 -5.667 5.872 1.00 0.00 H new ATOM 0 HG3 PRO A 9 18.569 -6.161 5.831 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.665 -3.687 6.773 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.317 -4.022 6.293 1.00 0.00 H new ATOM 99 N THR A 10 15.590 -3.778 2.206 1.00 0.00 N ATOM 100 CA THR A 10 14.177 -3.580 1.909 1.00 0.00 C ATOM 101 C THR A 10 13.700 -4.549 0.833 1.00 0.00 C ATOM 102 O THR A 10 14.481 -5.347 0.313 1.00 0.00 O ATOM 103 CB THR A 10 13.898 -2.138 1.445 1.00 0.00 C ATOM 104 OG1 THR A 10 14.733 -1.812 0.327 1.00 0.00 O ATOM 105 CG2 THR A 10 14.145 -1.149 2.574 1.00 0.00 C ATOM 0 H THR A 10 16.169 -3.975 1.390 1.00 0.00 H new ATOM 0 HA THR A 10 13.630 -3.769 2.833 1.00 0.00 H new ATOM 0 HB THR A 10 12.851 -2.072 1.148 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.548 -0.894 0.037 1.00 0.00 H new ATOM 0 HG21 THR A 10 13.941 -0.137 2.223 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.487 -1.381 3.412 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.183 -1.218 2.898 1.00 0.00 H new ATOM 113 N CYS A 11 12.416 -4.474 0.503 1.00 0.00 N ATOM 114 CA CYS A 11 11.835 -5.345 -0.512 1.00 0.00 C ATOM 115 C CYS A 11 10.649 -4.671 -1.194 1.00 0.00 C ATOM 116 O CYS A 11 10.318 -3.523 -0.896 1.00 0.00 O ATOM 117 CB CYS A 11 11.393 -6.669 0.115 1.00 0.00 C ATOM 118 SG CYS A 11 12.652 -7.966 0.066 1.00 0.00 S ATOM 0 H CYS A 11 11.757 -3.819 0.924 1.00 0.00 H new ATOM 0 HA CYS A 11 12.598 -5.544 -1.264 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.111 -6.491 1.153 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.501 -7.024 -0.402 1.00 0.00 H new ATOM 0 HG CYS A 11 12.383 -8.866 0.965 1.00 0.00 H new ATOM 124 N LYS A 12 10.012 -5.391 -2.111 1.00 0.00 N ATOM 125 CA LYS A 12 8.863 -4.863 -2.837 1.00 0.00 C ATOM 126 C LYS A 12 7.592 -5.623 -2.470 1.00 0.00 C ATOM 127 O LYS A 12 7.616 -6.840 -2.289 1.00 0.00 O ATOM 128 CB LYS A 12 9.104 -4.949 -4.346 1.00 0.00 C ATOM 129 CG LYS A 12 7.825 -4.953 -5.166 1.00 0.00 C ATOM 130 CD LYS A 12 8.118 -4.875 -6.655 1.00 0.00 C ATOM 131 CE LYS A 12 8.558 -3.478 -7.065 1.00 0.00 C ATOM 132 NZ LYS A 12 9.114 -3.454 -8.446 1.00 0.00 N ATOM 0 H LYS A 12 10.272 -6.343 -2.369 1.00 0.00 H new ATOM 0 HA LYS A 12 8.735 -3.818 -2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.722 -4.106 -4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.669 -5.855 -4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.258 -5.859 -4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.201 -4.109 -4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.897 -5.593 -6.911 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.228 -5.157 -7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.709 -2.797 -7.004 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.310 -3.114 -6.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.402 -2.484 -8.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.940 -4.084 -8.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.389 -3.777 -9.118 1.00 0.00 H new ATOM 146 N ILE A 13 6.485 -4.897 -2.363 1.00 0.00 N ATOM 147 CA ILE A 13 5.204 -5.503 -2.021 1.00 0.00 C ATOM 148 C ILE A 13 4.182 -5.294 -3.133 1.00 0.00 C ATOM 149 O ILE A 13 3.389 -4.353 -3.095 1.00 0.00 O ATOM 150 CB ILE A 13 4.642 -4.928 -0.708 1.00 0.00 C ATOM 151 CG1 ILE A 13 5.586 -5.237 0.456 1.00 0.00 C ATOM 152 CG2 ILE A 13 3.255 -5.489 -0.434 1.00 0.00 C ATOM 153 CD1 ILE A 13 5.099 -4.708 1.787 1.00 0.00 C ATOM 0 H ILE A 13 6.449 -3.888 -2.508 1.00 0.00 H new ATOM 0 HA ILE A 13 5.384 -6.570 -1.893 1.00 0.00 H new ATOM 0 HB ILE A 13 4.562 -3.846 -0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.717 -6.317 0.530 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.566 -4.810 0.241 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.872 -5.073 0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.587 -5.223 -1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.312 -6.574 -0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.818 -4.964 2.565 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.995 -3.624 1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.133 -5.154 2.024 1.00 0.00 H new ATOM 165 N THR A 14 4.204 -6.181 -4.124 1.00 0.00 N ATOM 166 CA THR A 14 3.279 -6.095 -5.247 1.00 0.00 C ATOM 167 C THR A 14 1.979 -6.832 -4.946 1.00 0.00 C ATOM 168 O THR A 14 1.913 -8.058 -5.038 1.00 0.00 O ATOM 169 CB THR A 14 3.900 -6.676 -6.531 1.00 0.00 C ATOM 170 OG1 THR A 14 5.324 -6.531 -6.496 1.00 0.00 O ATOM 171 CG2 THR A 14 3.345 -5.978 -7.764 1.00 0.00 C ATOM 0 H THR A 14 4.853 -6.967 -4.171 1.00 0.00 H new ATOM 0 HA THR A 14 3.066 -5.037 -5.401 1.00 0.00 H new ATOM 0 HB THR A 14 3.644 -7.734 -6.585 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.711 -6.904 -7.315 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.798 -6.405 -8.659 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.264 -6.115 -7.804 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.575 -4.914 -7.714 1.00 0.00 H new ATOM 179 N LEU A 15 0.947 -6.077 -4.586 1.00 0.00 N ATOM 180 CA LEU A 15 -0.354 -6.659 -4.273 1.00 0.00 C ATOM 181 C LEU A 15 -1.437 -6.097 -5.188 1.00 0.00 C ATOM 182 O LEU A 15 -1.665 -4.888 -5.228 1.00 0.00 O ATOM 183 CB LEU A 15 -0.715 -6.390 -2.811 1.00 0.00 C ATOM 184 CG LEU A 15 0.419 -6.552 -1.798 1.00 0.00 C ATOM 185 CD1 LEU A 15 0.235 -5.593 -0.632 1.00 0.00 C ATOM 186 CD2 LEU A 15 0.491 -7.989 -1.303 1.00 0.00 C ATOM 0 H LEU A 15 0.985 -5.061 -4.504 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.292 -7.735 -4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.101 -5.374 -2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.526 -7.061 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 15 1.360 -6.312 -2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.051 -5.723 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.235 -4.567 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.713 -5.800 -0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.304 -8.086 -0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.451 -8.257 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.672 -8.656 -2.146 1.00 0.00 H new ATOM 198 N LYS A 16 -2.103 -6.983 -5.920 1.00 0.00 N ATOM 199 CA LYS A 16 -3.166 -6.577 -6.833 1.00 0.00 C ATOM 200 C LYS A 16 -4.319 -7.575 -6.803 1.00 0.00 C ATOM 201 O LYS A 16 -4.149 -8.744 -7.149 1.00 0.00 O ATOM 202 CB LYS A 16 -2.622 -6.453 -8.258 1.00 0.00 C ATOM 203 CG LYS A 16 -2.471 -7.786 -8.970 1.00 0.00 C ATOM 204 CD LYS A 16 -1.543 -7.676 -10.168 1.00 0.00 C ATOM 205 CE LYS A 16 -0.091 -7.892 -9.769 1.00 0.00 C ATOM 206 NZ LYS A 16 0.831 -7.749 -10.930 1.00 0.00 N ATOM 0 H LYS A 16 -1.926 -7.987 -5.899 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.540 -5.606 -6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.288 -5.814 -8.838 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.652 -5.956 -8.226 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.082 -8.529 -8.274 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.449 -8.138 -9.298 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.828 -8.412 -10.920 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.653 -6.693 -10.626 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.184 -7.174 -8.996 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.022 -8.886 -9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.811 -7.903 -10.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.585 -8.451 -11.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.742 -6.792 -11.328 1.00 0.00 H new ATOM 220 N GLU A 17 -5.491 -7.106 -6.389 1.00 0.00 N ATOM 221 CA GLU A 17 -6.672 -7.958 -6.315 1.00 0.00 C ATOM 222 C GLU A 17 -7.838 -7.341 -7.082 1.00 0.00 C ATOM 223 O GLU A 17 -7.798 -6.169 -7.458 1.00 0.00 O ATOM 224 CB GLU A 17 -7.072 -8.188 -4.856 1.00 0.00 C ATOM 225 CG GLU A 17 -8.215 -9.175 -4.687 1.00 0.00 C ATOM 226 CD GLU A 17 -7.989 -10.466 -5.448 1.00 0.00 C ATOM 227 OE1 GLU A 17 -6.908 -11.070 -5.284 1.00 0.00 O ATOM 228 OE2 GLU A 17 -8.893 -10.873 -6.208 1.00 0.00 O ATOM 0 H GLU A 17 -5.648 -6.141 -6.100 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.426 -8.916 -6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.205 -8.550 -4.303 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.358 -7.235 -4.412 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.342 -9.400 -3.628 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.142 -8.714 -5.029 1.00 0.00 H new ATOM 235 N THR A 18 -8.876 -8.138 -7.312 1.00 0.00 N ATOM 236 CA THR A 18 -10.052 -7.673 -8.036 1.00 0.00 C ATOM 237 C THR A 18 -11.143 -7.214 -7.075 1.00 0.00 C ATOM 238 O THR A 18 -11.619 -7.989 -6.245 1.00 0.00 O ATOM 239 CB THR A 18 -10.620 -8.772 -8.952 1.00 0.00 C ATOM 240 OG1 THR A 18 -9.567 -9.358 -9.725 1.00 0.00 O ATOM 241 CG2 THR A 18 -11.684 -8.207 -9.882 1.00 0.00 C ATOM 0 H THR A 18 -8.926 -9.110 -7.007 1.00 0.00 H new ATOM 0 HA THR A 18 -9.732 -6.830 -8.649 1.00 0.00 H new ATOM 0 HB THR A 18 -11.078 -9.536 -8.324 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.936 -10.057 -10.304 1.00 0.00 H new ATOM 0 HG21 THR A 18 -12.070 -9.003 -10.519 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.498 -7.788 -9.291 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.247 -7.425 -10.503 1.00 0.00 H new ATOM 249 N PHE A 19 -11.537 -5.950 -7.193 1.00 0.00 N ATOM 250 CA PHE A 19 -12.572 -5.389 -6.334 1.00 0.00 C ATOM 251 C PHE A 19 -13.927 -5.400 -7.036 1.00 0.00 C ATOM 252 O PHE A 19 -14.022 -5.118 -8.231 1.00 0.00 O ATOM 253 CB PHE A 19 -12.208 -3.959 -5.927 1.00 0.00 C ATOM 254 CG PHE A 19 -11.164 -3.890 -4.849 1.00 0.00 C ATOM 255 CD1 PHE A 19 -9.819 -4.015 -5.160 1.00 0.00 C ATOM 256 CD2 PHE A 19 -11.527 -3.700 -3.526 1.00 0.00 C ATOM 257 CE1 PHE A 19 -8.857 -3.952 -4.170 1.00 0.00 C ATOM 258 CE2 PHE A 19 -10.569 -3.637 -2.532 1.00 0.00 C ATOM 259 CZ PHE A 19 -9.232 -3.762 -2.854 1.00 0.00 C ATOM 0 H PHE A 19 -11.155 -5.295 -7.875 1.00 0.00 H new ATOM 0 HA PHE A 19 -12.641 -6.008 -5.439 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.849 -3.420 -6.804 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -13.107 -3.447 -5.584 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.520 -4.163 -6.187 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.571 -3.600 -3.268 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.812 -4.051 -4.425 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.866 -3.490 -1.504 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.481 -3.711 -2.079 1.00 0.00 H new ATOM 269 N LEU A 20 -14.973 -5.728 -6.286 1.00 0.00 N ATOM 270 CA LEU A 20 -16.323 -5.777 -6.835 1.00 0.00 C ATOM 271 C LEU A 20 -16.936 -4.382 -6.900 1.00 0.00 C ATOM 272 O LEU A 20 -18.122 -4.199 -6.624 1.00 0.00 O ATOM 273 CB LEU A 20 -17.206 -6.696 -5.988 1.00 0.00 C ATOM 274 CG LEU A 20 -17.000 -8.197 -6.189 1.00 0.00 C ATOM 275 CD1 LEU A 20 -17.460 -8.619 -7.576 1.00 0.00 C ATOM 276 CD2 LEU A 20 -15.539 -8.568 -5.975 1.00 0.00 C ATOM 0 H LEU A 20 -14.912 -5.964 -5.296 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.262 -6.174 -7.848 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.035 -6.464 -4.937 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.249 -6.461 -6.200 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.602 -8.728 -5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.305 -9.691 -7.700 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.519 -8.389 -7.694 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.886 -8.080 -8.329 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -15.411 -9.640 -6.122 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.918 -8.027 -6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.241 -8.303 -4.961 1.00 0.00 H new ATOM 288 N THR A 21 -16.120 -3.399 -7.268 1.00 0.00 N ATOM 289 CA THR A 21 -16.581 -2.020 -7.371 1.00 0.00 C ATOM 290 C THR A 21 -15.949 -1.317 -8.566 1.00 0.00 C ATOM 291 O THR A 21 -15.095 -1.880 -9.250 1.00 0.00 O ATOM 292 CB THR A 21 -16.260 -1.224 -6.092 1.00 0.00 C ATOM 293 OG1 THR A 21 -17.000 0.001 -6.079 1.00 0.00 O ATOM 294 CG2 THR A 21 -14.771 -0.924 -6.001 1.00 0.00 C ATOM 0 H THR A 21 -15.136 -3.533 -7.500 1.00 0.00 H new ATOM 0 HA THR A 21 -17.662 -2.057 -7.505 1.00 0.00 H new ATOM 0 HB THR A 21 -16.546 -1.830 -5.232 1.00 0.00 H new ATOM 0 HG1 THR A 21 -17.254 0.220 -5.158 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.568 -0.361 -5.090 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.212 -1.859 -5.982 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.465 -0.336 -6.866 1.00 0.00 H new ATOM 302 N SER A 22 -16.374 -0.081 -8.812 1.00 0.00 N ATOM 303 CA SER A 22 -15.851 0.699 -9.928 1.00 0.00 C ATOM 304 C SER A 22 -14.660 1.544 -9.488 1.00 0.00 C ATOM 305 O SER A 22 -14.523 1.910 -8.321 1.00 0.00 O ATOM 306 CB SER A 22 -16.945 1.599 -10.505 1.00 0.00 C ATOM 307 OG SER A 22 -17.803 0.871 -11.367 1.00 0.00 O ATOM 0 H SER A 22 -17.079 0.401 -8.254 1.00 0.00 H new ATOM 0 HA SER A 22 -15.517 0.006 -10.700 1.00 0.00 H new ATOM 0 HB2 SER A 22 -17.526 2.036 -9.693 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.490 2.425 -11.052 1.00 0.00 H new ATOM 0 HG SER A 22 -18.494 1.468 -11.721 1.00 0.00 H new ATOM 313 N PRO A 23 -13.777 1.864 -10.446 1.00 0.00 N ATOM 314 CA PRO A 23 -12.581 2.670 -10.183 1.00 0.00 C ATOM 315 C PRO A 23 -12.895 3.927 -9.379 1.00 0.00 C ATOM 316 O PRO A 23 -12.406 4.099 -8.263 1.00 0.00 O ATOM 317 CB PRO A 23 -12.088 3.040 -11.584 1.00 0.00 C ATOM 318 CG PRO A 23 -12.599 1.953 -12.465 1.00 0.00 C ATOM 319 CD PRO A 23 -13.877 1.462 -11.859 1.00 0.00 C ATOM 0 HA PRO A 23 -11.847 2.128 -9.587 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.470 4.013 -11.894 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.000 3.099 -11.618 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.769 2.324 -13.476 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.872 1.144 -12.540 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.746 1.910 -12.341 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -13.978 0.381 -11.961 1.00 0.00 H new ATOM 327 N GLU A 24 -13.714 4.803 -9.955 1.00 0.00 N ATOM 328 CA GLU A 24 -14.092 6.045 -9.290 1.00 0.00 C ATOM 329 C GLU A 24 -14.472 5.789 -7.835 1.00 0.00 C ATOM 330 O GLU A 24 -14.163 6.589 -6.952 1.00 0.00 O ATOM 331 CB GLU A 24 -15.259 6.707 -10.025 1.00 0.00 C ATOM 332 CG GLU A 24 -16.617 6.143 -9.643 1.00 0.00 C ATOM 333 CD GLU A 24 -17.704 6.517 -10.632 1.00 0.00 C ATOM 334 OE1 GLU A 24 -17.510 6.285 -11.843 1.00 0.00 O ATOM 335 OE2 GLU A 24 -18.749 7.043 -10.194 1.00 0.00 O ATOM 0 H GLU A 24 -14.127 4.676 -10.879 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.232 6.715 -9.310 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.248 7.777 -9.818 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.115 6.589 -11.099 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.549 5.057 -9.577 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.892 6.506 -8.653 1.00 0.00 H new ATOM 342 N GLU A 25 -15.144 4.668 -7.593 1.00 0.00 N ATOM 343 CA GLU A 25 -15.567 4.308 -6.245 1.00 0.00 C ATOM 344 C GLU A 25 -14.363 4.132 -5.324 1.00 0.00 C ATOM 345 O GLU A 25 -14.134 4.939 -4.422 1.00 0.00 O ATOM 346 CB GLU A 25 -16.393 3.020 -6.272 1.00 0.00 C ATOM 347 CG GLU A 25 -17.437 2.942 -5.171 1.00 0.00 C ATOM 348 CD GLU A 25 -18.303 4.184 -5.099 1.00 0.00 C ATOM 349 OE1 GLU A 25 -17.895 5.153 -4.424 1.00 0.00 O ATOM 350 OE2 GLU A 25 -19.388 4.188 -5.717 1.00 0.00 O ATOM 0 H GLU A 25 -15.407 3.994 -8.312 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.183 5.119 -5.858 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -16.890 2.938 -7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.721 2.166 -6.185 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -18.071 2.071 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -16.939 2.795 -4.213 1.00 0.00 H new ATOM 357 N LEU A 26 -13.596 3.073 -5.559 1.00 0.00 N ATOM 358 CA LEU A 26 -12.414 2.790 -4.752 1.00 0.00 C ATOM 359 C LEU A 26 -11.448 3.971 -4.768 1.00 0.00 C ATOM 360 O LEU A 26 -10.644 4.140 -3.852 1.00 0.00 O ATOM 361 CB LEU A 26 -11.710 1.533 -5.266 1.00 0.00 C ATOM 362 CG LEU A 26 -10.650 0.933 -4.342 1.00 0.00 C ATOM 363 CD1 LEU A 26 -11.302 0.276 -3.136 1.00 0.00 C ATOM 364 CD2 LEU A 26 -9.791 -0.070 -5.098 1.00 0.00 C ATOM 0 H LEU A 26 -13.771 2.396 -6.302 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.737 2.623 -3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.465 0.772 -5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.240 1.769 -6.221 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.007 1.739 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.531 -0.145 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.874 1.020 -2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.969 -0.518 -3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.042 -0.487 -4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.421 -0.872 -5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.294 0.430 -5.929 1.00 0.00 H new ATOM 376 N TYR A 27 -11.535 4.785 -5.814 1.00 0.00 N ATOM 377 CA TYR A 27 -10.669 5.949 -5.950 1.00 0.00 C ATOM 378 C TYR A 27 -10.862 6.912 -4.782 1.00 0.00 C ATOM 379 O TYR A 27 -10.024 7.777 -4.531 1.00 0.00 O ATOM 380 CB TYR A 27 -10.950 6.669 -7.270 1.00 0.00 C ATOM 381 CG TYR A 27 -9.959 7.768 -7.584 1.00 0.00 C ATOM 382 CD1 TYR A 27 -8.599 7.586 -7.367 1.00 0.00 C ATOM 383 CD2 TYR A 27 -10.384 8.987 -8.096 1.00 0.00 C ATOM 384 CE1 TYR A 27 -7.690 8.587 -7.651 1.00 0.00 C ATOM 385 CE2 TYR A 27 -9.482 9.993 -8.385 1.00 0.00 C ATOM 386 CZ TYR A 27 -8.136 9.788 -8.161 1.00 0.00 C ATOM 387 OH TYR A 27 -7.235 10.788 -8.446 1.00 0.00 O ATOM 0 H TYR A 27 -12.197 4.660 -6.580 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.635 5.603 -5.945 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.941 5.940 -8.081 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.953 7.095 -7.236 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.246 6.646 -6.969 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.437 9.151 -8.271 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.636 8.430 -7.475 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.829 10.935 -8.784 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.636 10.494 -9.164 1.00 0.00 H new ATOM 397 N ARG A 28 -11.974 6.753 -4.071 1.00 0.00 N ATOM 398 CA ARG A 28 -12.279 7.607 -2.930 1.00 0.00 C ATOM 399 C ARG A 28 -11.843 6.947 -1.625 1.00 0.00 C ATOM 400 O ARG A 28 -11.134 7.550 -0.818 1.00 0.00 O ATOM 401 CB ARG A 28 -13.777 7.915 -2.882 1.00 0.00 C ATOM 402 CG ARG A 28 -14.407 8.088 -4.254 1.00 0.00 C ATOM 403 CD ARG A 28 -15.874 7.688 -4.248 1.00 0.00 C ATOM 404 NE ARG A 28 -16.746 8.815 -3.927 1.00 0.00 N ATOM 405 CZ ARG A 28 -17.981 8.677 -3.457 1.00 0.00 C ATOM 406 NH1 ARG A 28 -18.486 7.468 -3.254 1.00 0.00 N ATOM 407 NH2 ARG A 28 -18.713 9.751 -3.188 1.00 0.00 N ATOM 0 H ARG A 28 -12.678 6.041 -4.265 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.727 8.539 -3.048 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.288 7.109 -2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.934 8.824 -2.302 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.313 9.127 -4.570 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.867 7.483 -4.982 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.145 7.287 -5.225 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -16.030 6.890 -3.521 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.387 9.759 -4.071 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -17.926 6.640 -3.459 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -19.434 7.365 -2.893 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -18.327 10.683 -3.342 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -19.661 9.645 -2.827 1.00 0.00 H new ATOM 421 N VAL A 29 -12.272 5.705 -1.423 1.00 0.00 N ATOM 422 CA VAL A 29 -11.926 4.963 -0.217 1.00 0.00 C ATOM 423 C VAL A 29 -10.446 5.116 0.117 1.00 0.00 C ATOM 424 O VAL A 29 -10.034 4.921 1.260 1.00 0.00 O ATOM 425 CB VAL A 29 -12.255 3.465 -0.366 1.00 0.00 C ATOM 426 CG1 VAL A 29 -11.988 2.728 0.937 1.00 0.00 C ATOM 427 CG2 VAL A 29 -13.698 3.278 -0.808 1.00 0.00 C ATOM 0 H VAL A 29 -12.860 5.192 -2.080 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.524 5.380 0.594 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.607 3.043 -1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.226 1.672 0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.937 2.834 1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.609 3.149 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.913 2.214 -0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -14.366 3.715 -0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.851 3.771 -1.768 1.00 0.00 H new ATOM 437 N PHE A 30 -9.652 5.468 -0.888 1.00 0.00 N ATOM 438 CA PHE A 30 -8.217 5.648 -0.702 1.00 0.00 C ATOM 439 C PHE A 30 -7.858 7.130 -0.638 1.00 0.00 C ATOM 440 O PHE A 30 -6.849 7.512 -0.045 1.00 0.00 O ATOM 441 CB PHE A 30 -7.445 4.973 -1.837 1.00 0.00 C ATOM 442 CG PHE A 30 -7.268 3.494 -1.646 1.00 0.00 C ATOM 443 CD1 PHE A 30 -8.319 2.621 -1.881 1.00 0.00 C ATOM 444 CD2 PHE A 30 -6.052 2.976 -1.231 1.00 0.00 C ATOM 445 CE1 PHE A 30 -8.159 1.260 -1.706 1.00 0.00 C ATOM 446 CE2 PHE A 30 -5.887 1.615 -1.055 1.00 0.00 C ATOM 447 CZ PHE A 30 -6.942 0.756 -1.292 1.00 0.00 C ATOM 0 H PHE A 30 -9.978 5.634 -1.840 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.938 5.184 0.244 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.968 5.150 -2.777 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.464 5.440 -1.926 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.273 3.009 -2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.224 3.643 -1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.986 0.590 -1.893 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.934 1.224 -0.732 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.815 -0.308 -1.154 1.00 0.00 H new ATOM 457 N THR A 31 -8.692 7.962 -1.254 1.00 0.00 N ATOM 458 CA THR A 31 -8.464 9.401 -1.270 1.00 0.00 C ATOM 459 C THR A 31 -9.511 10.133 -0.439 1.00 0.00 C ATOM 460 O THR A 31 -9.753 11.325 -0.635 1.00 0.00 O ATOM 461 CB THR A 31 -8.484 9.957 -2.706 1.00 0.00 C ATOM 462 OG1 THR A 31 -9.801 9.846 -3.256 1.00 0.00 O ATOM 463 CG2 THR A 31 -7.495 9.211 -3.589 1.00 0.00 C ATOM 0 H THR A 31 -9.532 7.663 -1.749 1.00 0.00 H new ATOM 0 HA THR A 31 -7.478 9.569 -0.837 1.00 0.00 H new ATOM 0 HB THR A 31 -8.194 11.007 -2.670 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.791 9.211 -4.002 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.527 9.621 -4.598 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.489 9.323 -3.184 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.759 8.154 -3.619 1.00 0.00 H new ATOM 471 N THR A 32 -10.131 9.413 0.491 1.00 0.00 N ATOM 472 CA THR A 32 -11.154 9.995 1.352 1.00 0.00 C ATOM 473 C THR A 32 -10.964 9.560 2.801 1.00 0.00 C ATOM 474 O THR A 32 -11.184 8.398 3.143 1.00 0.00 O ATOM 475 CB THR A 32 -12.569 9.599 0.890 1.00 0.00 C ATOM 476 OG1 THR A 32 -12.712 9.844 -0.513 1.00 0.00 O ATOM 477 CG2 THR A 32 -13.626 10.378 1.657 1.00 0.00 C ATOM 0 H THR A 32 -9.943 8.426 0.667 1.00 0.00 H new ATOM 0 HA THR A 32 -11.048 11.078 1.283 1.00 0.00 H new ATOM 0 HB THR A 32 -12.709 8.536 1.089 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.533 10.355 -0.674 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.617 10.082 1.314 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.533 10.166 2.722 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.487 11.445 1.486 1.00 0.00 H new ATOM 485 N GLN A 33 -10.557 10.500 3.647 1.00 0.00 N ATOM 486 CA GLN A 33 -10.339 10.213 5.060 1.00 0.00 C ATOM 487 C GLN A 33 -11.518 9.446 5.648 1.00 0.00 C ATOM 488 O GLN A 33 -11.356 8.342 6.167 1.00 0.00 O ATOM 489 CB GLN A 33 -10.120 11.511 5.839 1.00 0.00 C ATOM 490 CG GLN A 33 -9.964 11.304 7.336 1.00 0.00 C ATOM 491 CD GLN A 33 -9.578 12.576 8.065 1.00 0.00 C ATOM 492 OE1 GLN A 33 -9.254 13.588 7.442 1.00 0.00 O ATOM 493 NE2 GLN A 33 -9.612 12.532 9.392 1.00 0.00 N ATOM 0 H GLN A 33 -10.372 11.467 3.379 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.447 9.592 5.145 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.230 12.009 5.455 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.962 12.179 5.659 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.900 10.925 7.746 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.206 10.542 7.516 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.887 11.672 9.867 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.364 13.358 9.936 1.00 0.00 H new ATOM 502 N GLU A 34 -12.705 10.040 5.564 1.00 0.00 N ATOM 503 CA GLU A 34 -13.912 9.412 6.089 1.00 0.00 C ATOM 504 C GLU A 34 -13.988 7.946 5.672 1.00 0.00 C ATOM 505 O GLU A 34 -14.028 7.050 6.516 1.00 0.00 O ATOM 506 CB GLU A 34 -15.155 10.158 5.602 1.00 0.00 C ATOM 507 CG GLU A 34 -16.459 9.563 6.106 1.00 0.00 C ATOM 508 CD GLU A 34 -16.889 10.145 7.439 1.00 0.00 C ATOM 509 OE1 GLU A 34 -17.568 11.193 7.437 1.00 0.00 O ATOM 510 OE2 GLU A 34 -16.546 9.553 8.484 1.00 0.00 O ATOM 0 H GLU A 34 -12.856 10.954 5.138 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.872 9.460 7.177 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.093 11.198 5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.164 10.160 4.512 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -17.242 9.737 5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.347 8.483 6.204 1.00 0.00 H new ATOM 517 N LEU A 35 -14.009 7.710 4.365 1.00 0.00 N ATOM 518 CA LEU A 35 -14.082 6.353 3.833 1.00 0.00 C ATOM 519 C LEU A 35 -13.024 5.460 4.474 1.00 0.00 C ATOM 520 O LEU A 35 -13.248 4.268 4.684 1.00 0.00 O ATOM 521 CB LEU A 35 -13.900 6.369 2.315 1.00 0.00 C ATOM 522 CG LEU A 35 -14.904 7.212 1.527 1.00 0.00 C ATOM 523 CD1 LEU A 35 -14.706 7.019 0.032 1.00 0.00 C ATOM 524 CD2 LEU A 35 -16.328 6.858 1.929 1.00 0.00 C ATOM 0 H LEU A 35 -13.977 8.440 3.654 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.066 5.948 4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.897 6.733 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.954 5.343 1.952 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.732 8.262 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.429 7.626 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.696 7.323 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.851 5.969 -0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.029 7.467 1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.513 5.804 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.464 7.049 2.993 1.00 0.00 H new ATOM 536 N VAL A 36 -11.873 6.046 4.786 1.00 0.00 N ATOM 537 CA VAL A 36 -10.781 5.304 5.407 1.00 0.00 C ATOM 538 C VAL A 36 -11.132 4.903 6.835 1.00 0.00 C ATOM 539 O VAL A 36 -10.942 3.754 7.232 1.00 0.00 O ATOM 540 CB VAL A 36 -9.480 6.128 5.421 1.00 0.00 C ATOM 541 CG1 VAL A 36 -8.317 5.281 5.916 1.00 0.00 C ATOM 542 CG2 VAL A 36 -9.190 6.689 4.037 1.00 0.00 C ATOM 0 H VAL A 36 -11.672 7.032 4.619 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.627 4.406 4.808 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.608 6.965 6.108 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.406 5.880 5.919 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.525 4.932 6.927 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.185 4.423 5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.267 7.268 4.065 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.082 5.869 3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -10.013 7.332 3.725 1.00 0.00 H new ATOM 552 N GLN A 37 -11.645 5.859 7.603 1.00 0.00 N ATOM 553 CA GLN A 37 -12.022 5.605 8.989 1.00 0.00 C ATOM 554 C GLN A 37 -13.195 4.633 9.064 1.00 0.00 C ATOM 555 O GLN A 37 -13.615 4.236 10.151 1.00 0.00 O ATOM 556 CB GLN A 37 -12.385 6.916 9.689 1.00 0.00 C ATOM 557 CG GLN A 37 -11.202 7.594 10.361 1.00 0.00 C ATOM 558 CD GLN A 37 -11.543 8.974 10.889 1.00 0.00 C ATOM 559 OE1 GLN A 37 -11.720 9.928 9.982 1.00 0.00 O flip ATOM 560 NE2 GLN A 37 -11.645 9.181 12.098 1.00 0.00 N flip ATOM 0 H GLN A 37 -11.809 6.816 7.289 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.168 5.155 9.495 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.819 7.600 8.959 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.153 6.719 10.437 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.850 6.971 11.183 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.381 7.674 9.648 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.501 8.418 12.760 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.874 10.115 12.438 1.00 0.00 H new ATOM 569 N ALA A 38 -13.718 4.254 7.903 1.00 0.00 N ATOM 570 CA ALA A 38 -14.842 3.327 7.838 1.00 0.00 C ATOM 571 C ALA A 38 -14.359 1.882 7.797 1.00 0.00 C ATOM 572 O ALA A 38 -14.934 1.006 8.443 1.00 0.00 O ATOM 573 CB ALA A 38 -15.707 3.631 6.624 1.00 0.00 C ATOM 0 H ALA A 38 -13.382 4.574 6.995 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.441 3.457 8.739 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.542 2.931 6.588 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.089 4.649 6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.110 3.530 5.718 1.00 0.00 H new ATOM 579 N PHE A 39 -13.298 1.638 7.034 1.00 0.00 N ATOM 580 CA PHE A 39 -12.739 0.297 6.907 1.00 0.00 C ATOM 581 C PHE A 39 -11.558 0.109 7.855 1.00 0.00 C ATOM 582 O PHE A 39 -11.069 -1.005 8.043 1.00 0.00 O ATOM 583 CB PHE A 39 -12.296 0.041 5.465 1.00 0.00 C ATOM 584 CG PHE A 39 -11.001 0.712 5.107 1.00 0.00 C ATOM 585 CD1 PHE A 39 -9.801 0.254 5.625 1.00 0.00 C ATOM 586 CD2 PHE A 39 -10.984 1.802 4.252 1.00 0.00 C ATOM 587 CE1 PHE A 39 -8.609 0.870 5.298 1.00 0.00 C ATOM 588 CE2 PHE A 39 -9.795 2.423 3.920 1.00 0.00 C ATOM 589 CZ PHE A 39 -8.605 1.956 4.444 1.00 0.00 C ATOM 0 H PHE A 39 -12.808 2.352 6.494 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.515 -0.421 7.174 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.194 -1.033 5.310 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.075 0.388 4.787 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.797 -0.595 6.293 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -11.912 2.171 3.840 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.680 0.503 5.710 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.796 3.272 3.252 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.674 2.439 4.187 1.00 0.00 H new ATOM 599 N THR A 40 -11.104 1.208 8.450 1.00 0.00 N ATOM 600 CA THR A 40 -9.980 1.166 9.377 1.00 0.00 C ATOM 601 C THR A 40 -10.456 1.244 10.823 1.00 0.00 C ATOM 602 O THR A 40 -9.734 0.867 11.746 1.00 0.00 O ATOM 603 CB THR A 40 -8.990 2.315 9.112 1.00 0.00 C ATOM 604 OG1 THR A 40 -9.644 3.576 9.290 1.00 0.00 O ATOM 605 CG2 THR A 40 -8.423 2.227 7.703 1.00 0.00 C ATOM 0 H THR A 40 -11.498 2.138 8.306 1.00 0.00 H new ATOM 0 HA THR A 40 -9.473 0.215 9.215 1.00 0.00 H new ATOM 0 HB THR A 40 -8.169 2.228 9.823 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.434 3.619 8.712 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.726 3.049 7.539 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.900 1.278 7.580 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.236 2.290 6.979 1.00 0.00 H new ATOM 613 N HIS A 41 -11.677 1.734 11.013 1.00 0.00 N ATOM 614 CA HIS A 41 -12.251 1.860 12.349 1.00 0.00 C ATOM 615 C HIS A 41 -11.223 2.413 13.331 1.00 0.00 C ATOM 616 O HIS A 41 -11.125 1.950 14.468 1.00 0.00 O ATOM 617 CB HIS A 41 -12.763 0.505 12.837 1.00 0.00 C ATOM 618 CG HIS A 41 -13.807 -0.097 11.947 1.00 0.00 C ATOM 619 ND1 HIS A 41 -15.141 0.244 12.015 1.00 0.00 N ATOM 620 CD2 HIS A 41 -13.706 -1.021 10.963 1.00 0.00 C ATOM 621 CE1 HIS A 41 -15.816 -0.445 11.113 1.00 0.00 C ATOM 622 NE2 HIS A 41 -14.969 -1.221 10.461 1.00 0.00 N ATOM 0 H HIS A 41 -12.288 2.050 10.260 1.00 0.00 H new ATOM 0 HA HIS A 41 -13.087 2.557 12.295 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.923 -0.185 12.916 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -13.175 0.621 13.839 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.801 -1.510 10.634 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -16.880 -0.384 10.938 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -15.213 -1.864 9.708 1.00 0.00 H new ATOM 631 N ALA A 42 -10.458 3.404 12.886 1.00 0.00 N ATOM 632 CA ALA A 42 -9.439 4.020 13.726 1.00 0.00 C ATOM 633 C ALA A 42 -9.131 5.440 13.264 1.00 0.00 C ATOM 634 O ALA A 42 -9.271 5.781 12.089 1.00 0.00 O ATOM 635 CB ALA A 42 -8.173 3.176 13.724 1.00 0.00 C ATOM 0 H ALA A 42 -10.525 3.798 11.947 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.826 4.073 14.744 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.420 3.648 14.355 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.398 2.181 14.109 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.793 3.093 12.706 1.00 0.00 H new ATOM 641 N PRO A 43 -8.703 6.291 14.209 1.00 0.00 N ATOM 642 CA PRO A 43 -8.367 7.688 13.921 1.00 0.00 C ATOM 643 C PRO A 43 -7.463 7.829 12.701 1.00 0.00 C ATOM 644 O PRO A 43 -6.238 7.790 12.817 1.00 0.00 O ATOM 645 CB PRO A 43 -7.633 8.144 15.185 1.00 0.00 C ATOM 646 CG PRO A 43 -8.157 7.262 16.266 1.00 0.00 C ATOM 647 CD PRO A 43 -8.513 5.953 15.629 1.00 0.00 C ATOM 0 HA PRO A 43 -9.252 8.279 13.688 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.554 8.038 15.076 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.830 9.194 15.400 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.408 7.121 17.045 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.030 7.710 16.740 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.721 5.216 15.762 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.419 5.530 16.064 1.00 0.00 H new ATOM 655 N ALA A 44 -8.075 7.991 11.533 1.00 0.00 N ATOM 656 CA ALA A 44 -7.325 8.140 10.292 1.00 0.00 C ATOM 657 C ALA A 44 -7.498 9.538 9.710 1.00 0.00 C ATOM 658 O ALA A 44 -8.609 10.065 9.651 1.00 0.00 O ATOM 659 CB ALA A 44 -7.761 7.088 9.282 1.00 0.00 C ATOM 0 H ALA A 44 -9.088 8.022 11.420 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.268 7.997 10.516 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.193 7.211 8.360 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.579 6.094 9.690 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.824 7.204 9.071 1.00 0.00 H new ATOM 665 N THR A 45 -6.391 10.137 9.280 1.00 0.00 N ATOM 666 CA THR A 45 -6.420 11.475 8.704 1.00 0.00 C ATOM 667 C THR A 45 -5.890 11.470 7.275 1.00 0.00 C ATOM 668 O THR A 45 -4.679 11.468 7.051 1.00 0.00 O ATOM 669 CB THR A 45 -5.591 12.466 9.544 1.00 0.00 C ATOM 670 OG1 THR A 45 -6.172 12.613 10.844 1.00 0.00 O ATOM 671 CG2 THR A 45 -5.515 13.823 8.860 1.00 0.00 C ATOM 0 H THR A 45 -5.463 9.716 9.320 1.00 0.00 H new ATOM 0 HA THR A 45 -7.462 11.795 8.701 1.00 0.00 H new ATOM 0 HB THR A 45 -4.581 12.069 9.642 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.638 13.243 11.372 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.925 14.506 9.471 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.045 13.712 7.883 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.521 14.224 8.735 1.00 0.00 H new ATOM 679 N LEU A 46 -6.804 11.470 6.311 1.00 0.00 N ATOM 680 CA LEU A 46 -6.429 11.467 4.901 1.00 0.00 C ATOM 681 C LEU A 46 -6.708 12.822 4.260 1.00 0.00 C ATOM 682 O LEU A 46 -7.737 13.443 4.523 1.00 0.00 O ATOM 683 CB LEU A 46 -7.189 10.370 4.153 1.00 0.00 C ATOM 684 CG LEU A 46 -6.538 9.858 2.868 1.00 0.00 C ATOM 685 CD1 LEU A 46 -6.816 8.375 2.682 1.00 0.00 C ATOM 686 CD2 LEU A 46 -7.034 10.650 1.667 1.00 0.00 C ATOM 0 H LEU A 46 -7.810 11.472 6.480 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.359 11.269 4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.326 9.526 4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.182 10.746 3.908 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.460 9.997 2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.345 8.029 1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.411 7.820 3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.892 8.211 2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.560 10.272 0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.115 10.544 1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.782 11.703 1.796 1.00 0.00 H new ATOM 698 N GLU A 47 -5.785 13.273 3.417 1.00 0.00 N ATOM 699 CA GLU A 47 -5.933 14.555 2.737 1.00 0.00 C ATOM 700 C GLU A 47 -5.642 14.417 1.245 1.00 0.00 C ATOM 701 O GLU A 47 -4.487 14.453 0.822 1.00 0.00 O ATOM 702 CB GLU A 47 -4.999 15.597 3.356 1.00 0.00 C ATOM 703 CG GLU A 47 -5.337 15.938 4.797 1.00 0.00 C ATOM 704 CD GLU A 47 -6.430 16.983 4.908 1.00 0.00 C ATOM 705 OE1 GLU A 47 -6.467 17.895 4.055 1.00 0.00 O ATOM 706 OE2 GLU A 47 -7.249 16.890 5.846 1.00 0.00 O ATOM 0 H GLU A 47 -4.927 12.770 3.188 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.965 14.885 2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.975 15.227 3.310 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.037 16.507 2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.651 15.033 5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.441 16.300 5.301 1.00 0.00 H new ATOM 713 N ALA A 48 -6.698 14.258 0.455 1.00 0.00 N ATOM 714 CA ALA A 48 -6.557 14.116 -0.989 1.00 0.00 C ATOM 715 C ALA A 48 -5.935 15.365 -1.606 1.00 0.00 C ATOM 716 O ALA A 48 -6.632 16.338 -1.896 1.00 0.00 O ATOM 717 CB ALA A 48 -7.908 13.827 -1.626 1.00 0.00 C ATOM 0 H ALA A 48 -7.661 14.224 0.790 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.890 13.276 -1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.787 13.723 -2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.313 12.902 -1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.593 14.648 -1.415 1.00 0.00 H new ATOM 723 N ASP A 49 -4.622 15.331 -1.802 1.00 0.00 N ATOM 724 CA ASP A 49 -3.907 16.461 -2.385 1.00 0.00 C ATOM 725 C ASP A 49 -2.441 16.111 -2.624 1.00 0.00 C ATOM 726 O ASP A 49 -1.843 15.348 -1.865 1.00 0.00 O ATOM 727 CB ASP A 49 -4.009 17.683 -1.471 1.00 0.00 C ATOM 728 CG ASP A 49 -5.223 18.537 -1.781 1.00 0.00 C ATOM 729 OD1 ASP A 49 -5.590 18.637 -2.970 1.00 0.00 O ATOM 730 OD2 ASP A 49 -5.806 19.105 -0.833 1.00 0.00 O ATOM 0 H ASP A 49 -4.031 14.534 -1.566 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.368 16.695 -3.345 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.055 17.354 -0.433 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.107 18.287 -1.574 1.00 0.00 H new ATOM 735 N ARG A 50 -1.870 16.672 -3.685 1.00 0.00 N ATOM 736 CA ARG A 50 -0.476 16.418 -4.026 1.00 0.00 C ATOM 737 C ARG A 50 0.449 16.846 -2.890 1.00 0.00 C ATOM 738 O ARG A 50 0.776 18.024 -2.752 1.00 0.00 O ATOM 739 CB ARG A 50 -0.099 17.158 -5.310 1.00 0.00 C ATOM 740 CG ARG A 50 -0.344 16.349 -6.573 1.00 0.00 C ATOM 741 CD ARG A 50 0.234 17.039 -7.799 1.00 0.00 C ATOM 742 NE ARG A 50 -0.732 17.935 -8.429 1.00 0.00 N ATOM 743 CZ ARG A 50 -0.393 18.909 -9.267 1.00 0.00 C ATOM 744 NH1 ARG A 50 0.881 19.111 -9.573 1.00 0.00 N ATOM 745 NH2 ARG A 50 -1.329 19.683 -9.800 1.00 0.00 N ATOM 0 H ARG A 50 -2.352 17.305 -4.323 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.357 15.346 -4.184 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.670 18.085 -5.366 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.954 17.434 -5.264 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.103 15.361 -6.466 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.415 16.201 -6.709 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.120 17.605 -7.512 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.555 16.288 -8.520 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.721 17.806 -8.214 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.604 18.518 -9.165 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.138 19.859 -10.217 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.310 19.531 -9.567 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.068 20.430 -10.443 1.00 0.00 H new ATOM 759 N GLY A 51 0.866 15.880 -2.076 1.00 0.00 N ATOM 760 CA GLY A 51 1.748 16.177 -0.963 1.00 0.00 C ATOM 761 C GLY A 51 1.050 16.057 0.377 1.00 0.00 C ATOM 762 O GLY A 51 1.674 16.209 1.426 1.00 0.00 O ATOM 0 H GLY A 51 0.608 14.897 -2.168 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.600 15.498 -0.987 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.142 17.187 -1.075 1.00 0.00 H new ATOM 766 N GLY A 52 -0.251 15.784 0.343 1.00 0.00 N ATOM 767 CA GLY A 52 -1.014 15.651 1.571 1.00 0.00 C ATOM 768 C GLY A 52 -0.509 14.521 2.446 1.00 0.00 C ATOM 769 O GLY A 52 0.374 13.762 2.047 1.00 0.00 O ATOM 0 H GLY A 52 -0.790 15.653 -0.513 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.967 16.587 2.128 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.062 15.477 1.327 1.00 0.00 H new ATOM 773 N LYS A 53 -1.071 14.407 3.645 1.00 0.00 N ATOM 774 CA LYS A 53 -0.673 13.362 4.581 1.00 0.00 C ATOM 775 C LYS A 53 -1.847 12.441 4.899 1.00 0.00 C ATOM 776 O LYS A 53 -2.937 12.902 5.235 1.00 0.00 O ATOM 777 CB LYS A 53 -0.135 13.983 5.872 1.00 0.00 C ATOM 778 CG LYS A 53 1.363 14.236 5.846 1.00 0.00 C ATOM 779 CD LYS A 53 1.751 15.169 4.712 1.00 0.00 C ATOM 780 CE LYS A 53 3.126 15.779 4.938 1.00 0.00 C ATOM 781 NZ LYS A 53 3.053 17.026 5.749 1.00 0.00 N ATOM 0 H LYS A 53 -1.804 15.026 3.991 1.00 0.00 H new ATOM 0 HA LYS A 53 0.114 12.771 4.113 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.651 14.925 6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.369 13.324 6.708 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.677 14.667 6.797 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.891 13.289 5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.745 14.621 3.770 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.010 15.963 4.623 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.766 15.055 5.442 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.589 15.998 3.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.010 17.411 5.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.463 17.726 5.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.635 16.813 6.677 1.00 0.00 H new ATOM 795 N PHE A 54 -1.615 11.137 4.791 1.00 0.00 N ATOM 796 CA PHE A 54 -2.653 10.151 5.067 1.00 0.00 C ATOM 797 C PHE A 54 -2.253 9.252 6.234 1.00 0.00 C ATOM 798 O PHE A 54 -1.272 8.512 6.153 1.00 0.00 O ATOM 799 CB PHE A 54 -2.924 9.302 3.824 1.00 0.00 C ATOM 800 CG PHE A 54 -1.887 8.242 3.584 1.00 0.00 C ATOM 801 CD1 PHE A 54 -2.002 6.995 4.178 1.00 0.00 C ATOM 802 CD2 PHE A 54 -0.797 8.492 2.766 1.00 0.00 C ATOM 803 CE1 PHE A 54 -1.050 6.017 3.959 1.00 0.00 C ATOM 804 CE2 PHE A 54 0.158 7.518 2.544 1.00 0.00 C ATOM 805 CZ PHE A 54 0.032 6.280 3.142 1.00 0.00 C ATOM 0 H PHE A 54 -0.718 10.739 4.514 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.563 10.685 5.338 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.900 8.828 3.924 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.974 9.954 2.952 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.845 6.785 4.819 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.692 9.459 2.297 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.152 5.049 4.426 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.002 7.725 1.903 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.778 5.518 2.971 1.00 0.00 H new ATOM 815 N HIS A 55 -3.020 9.322 7.317 1.00 0.00 N ATOM 816 CA HIS A 55 -2.746 8.515 8.501 1.00 0.00 C ATOM 817 C HIS A 55 -3.894 7.549 8.778 1.00 0.00 C ATOM 818 O HIS A 55 -5.064 7.918 8.681 1.00 0.00 O ATOM 819 CB HIS A 55 -2.516 9.414 9.716 1.00 0.00 C ATOM 820 CG HIS A 55 -1.466 8.900 10.652 1.00 0.00 C ATOM 821 ND1 HIS A 55 -0.949 7.624 10.575 1.00 0.00 N ATOM 822 CD2 HIS A 55 -0.836 9.497 11.690 1.00 0.00 C ATOM 823 CE1 HIS A 55 -0.047 7.458 11.526 1.00 0.00 C ATOM 824 NE2 HIS A 55 0.041 8.581 12.217 1.00 0.00 N ATOM 0 H HIS A 55 -3.836 9.929 7.399 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.843 7.934 8.313 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.230 10.408 9.373 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.454 9.522 10.260 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -1.221 6.918 9.891 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.994 10.507 12.039 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.522 6.558 11.708 1.00 0.00 H new ATOM 833 N MET A 56 -3.551 6.312 9.123 1.00 0.00 N ATOM 834 CA MET A 56 -4.555 5.295 9.414 1.00 0.00 C ATOM 835 C MET A 56 -4.069 4.350 10.509 1.00 0.00 C ATOM 836 O MET A 56 -2.940 4.465 10.986 1.00 0.00 O ATOM 837 CB MET A 56 -4.888 4.500 8.150 1.00 0.00 C ATOM 838 CG MET A 56 -3.754 4.465 7.138 1.00 0.00 C ATOM 839 SD MET A 56 -3.716 2.930 6.192 1.00 0.00 S ATOM 840 CE MET A 56 -5.367 2.919 5.497 1.00 0.00 C ATOM 0 H MET A 56 -2.587 5.990 9.208 1.00 0.00 H new ATOM 0 HA MET A 56 -5.455 5.799 9.765 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.146 3.479 8.430 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.771 4.934 7.680 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.857 5.307 6.453 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.804 4.591 7.658 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.336 2.500 4.491 1.00 0.00 H new ATOM 0 HE2 MET A 56 -6.021 2.312 6.123 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.750 3.939 5.453 1.00 0.00 H new ATOM 850 N VAL A 57 -4.929 3.417 10.903 1.00 0.00 N ATOM 851 CA VAL A 57 -4.587 2.452 11.941 1.00 0.00 C ATOM 852 C VAL A 57 -4.293 3.149 13.265 1.00 0.00 C ATOM 853 O VAL A 57 -3.280 2.878 13.910 1.00 0.00 O ATOM 854 CB VAL A 57 -3.365 1.604 11.539 1.00 0.00 C ATOM 855 CG1 VAL A 57 -3.200 0.423 12.484 1.00 0.00 C ATOM 856 CG2 VAL A 57 -3.497 1.130 10.099 1.00 0.00 C ATOM 0 H VAL A 57 -5.868 3.309 10.519 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.451 1.798 12.061 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.473 2.226 11.613 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.332 -0.164 12.184 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.058 0.788 13.501 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.092 -0.202 12.444 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.626 0.533 9.831 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.398 0.525 9.996 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.563 1.993 9.436 1.00 0.00 H new ATOM 866 N ASP A 58 -5.186 4.048 13.664 1.00 0.00 N ATOM 867 CA ASP A 58 -5.024 4.785 14.912 1.00 0.00 C ATOM 868 C ASP A 58 -3.739 5.606 14.896 1.00 0.00 C ATOM 869 O ASP A 58 -3.177 5.919 15.945 1.00 0.00 O ATOM 870 CB ASP A 58 -5.014 3.821 16.100 1.00 0.00 C ATOM 871 CG ASP A 58 -5.559 4.455 17.365 1.00 0.00 C ATOM 872 OD1 ASP A 58 -4.930 5.408 17.870 1.00 0.00 O ATOM 873 OD2 ASP A 58 -6.615 3.998 17.848 1.00 0.00 O ATOM 0 H ASP A 58 -6.030 4.284 13.141 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.868 5.467 15.015 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.607 2.940 15.854 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.994 3.479 16.278 1.00 0.00 H new ATOM 878 N GLY A 59 -3.278 5.951 13.697 1.00 0.00 N ATOM 879 CA GLY A 59 -2.062 6.732 13.567 1.00 0.00 C ATOM 880 C GLY A 59 -0.815 5.869 13.577 1.00 0.00 C ATOM 881 O GLY A 59 0.253 6.316 13.992 1.00 0.00 O ATOM 0 H GLY A 59 -3.725 5.704 12.814 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.098 7.303 12.639 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.008 7.453 14.383 1.00 0.00 H new ATOM 885 N ASN A 60 -0.953 4.628 13.120 1.00 0.00 N ATOM 886 CA ASN A 60 0.171 3.700 13.080 1.00 0.00 C ATOM 887 C ASN A 60 0.790 3.654 11.686 1.00 0.00 C ATOM 888 O ASN A 60 1.923 3.205 11.512 1.00 0.00 O ATOM 889 CB ASN A 60 -0.282 2.299 13.496 1.00 0.00 C ATOM 890 CG ASN A 60 -0.152 2.069 14.989 1.00 0.00 C ATOM 891 OD1 ASN A 60 0.951 1.901 15.509 1.00 0.00 O ATOM 892 ND2 ASN A 60 -1.282 2.058 15.687 1.00 0.00 N ATOM 0 H ASN A 60 -1.831 4.243 12.773 1.00 0.00 H new ATOM 0 HA ASN A 60 0.926 4.053 13.782 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.320 2.152 13.198 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.311 1.555 12.964 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.257 1.906 16.695 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.175 2.202 15.215 1.00 0.00 H new ATOM 899 N VAL A 61 0.037 4.121 10.695 1.00 0.00 N ATOM 900 CA VAL A 61 0.511 4.135 9.316 1.00 0.00 C ATOM 901 C VAL A 61 0.280 5.496 8.670 1.00 0.00 C ATOM 902 O VAL A 61 -0.860 5.930 8.503 1.00 0.00 O ATOM 903 CB VAL A 61 -0.188 3.053 8.472 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.155 3.220 7.000 1.00 0.00 C ATOM 905 CG2 VAL A 61 0.196 1.665 8.963 1.00 0.00 C ATOM 0 H VAL A 61 -0.904 4.495 10.821 1.00 0.00 H new ATOM 0 HA VAL A 61 1.581 3.927 9.346 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.266 3.168 8.585 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.348 2.447 6.419 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.174 4.202 6.659 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.233 3.132 6.865 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.307 0.912 8.356 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.275 1.536 8.881 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.105 1.551 10.004 1.00 0.00 H new ATOM 915 N SER A 62 1.370 6.165 8.307 1.00 0.00 N ATOM 916 CA SER A 62 1.287 7.479 7.681 1.00 0.00 C ATOM 917 C SER A 62 1.997 7.484 6.331 1.00 0.00 C ATOM 918 O SER A 62 2.580 6.481 5.920 1.00 0.00 O ATOM 919 CB SER A 62 1.898 8.543 8.595 1.00 0.00 C ATOM 920 OG SER A 62 3.260 8.260 8.867 1.00 0.00 O ATOM 0 H SER A 62 2.321 5.818 8.436 1.00 0.00 H new ATOM 0 HA SER A 62 0.234 7.710 7.519 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.814 9.523 8.125 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.339 8.589 9.530 1.00 0.00 H new ATOM 0 HG SER A 62 3.628 8.955 9.451 1.00 0.00 H new ATOM 926 N GLY A 63 1.944 8.622 5.645 1.00 0.00 N ATOM 927 CA GLY A 63 2.586 8.737 4.348 1.00 0.00 C ATOM 928 C GLY A 63 2.413 10.113 3.736 1.00 0.00 C ATOM 929 O GLY A 63 2.066 11.068 4.430 1.00 0.00 O ATOM 0 H GLY A 63 1.468 9.466 5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.649 8.520 4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.172 7.988 3.673 1.00 0.00 H new ATOM 933 N GLU A 64 2.658 10.214 2.433 1.00 0.00 N ATOM 934 CA GLU A 64 2.529 11.485 1.729 1.00 0.00 C ATOM 935 C GLU A 64 2.207 11.259 0.255 1.00 0.00 C ATOM 936 O GLU A 64 2.818 10.418 -0.404 1.00 0.00 O ATOM 937 CB GLU A 64 3.817 12.299 1.862 1.00 0.00 C ATOM 938 CG GLU A 64 4.820 12.039 0.750 1.00 0.00 C ATOM 939 CD GLU A 64 6.067 12.892 0.878 1.00 0.00 C ATOM 940 OE1 GLU A 64 6.346 13.371 1.997 1.00 0.00 O ATOM 941 OE2 GLU A 64 6.764 13.081 -0.141 1.00 0.00 O ATOM 0 H GLU A 64 2.946 9.432 1.844 1.00 0.00 H new ATOM 0 HA GLU A 64 1.708 12.041 2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.567 13.360 1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.283 12.071 2.821 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.102 10.986 0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.348 12.234 -0.213 1.00 0.00 H new ATOM 948 N PHE A 65 1.242 12.017 -0.256 1.00 0.00 N ATOM 949 CA PHE A 65 0.836 11.900 -1.652 1.00 0.00 C ATOM 950 C PHE A 65 1.841 12.590 -2.570 1.00 0.00 C ATOM 951 O PHE A 65 2.099 13.787 -2.440 1.00 0.00 O ATOM 952 CB PHE A 65 -0.554 12.505 -1.854 1.00 0.00 C ATOM 953 CG PHE A 65 -1.669 11.614 -1.385 1.00 0.00 C ATOM 954 CD1 PHE A 65 -1.514 10.820 -0.260 1.00 0.00 C ATOM 955 CD2 PHE A 65 -2.872 11.568 -2.071 1.00 0.00 C ATOM 956 CE1 PHE A 65 -2.538 9.999 0.174 1.00 0.00 C ATOM 957 CE2 PHE A 65 -3.900 10.750 -1.642 1.00 0.00 C ATOM 958 CZ PHE A 65 -3.732 9.963 -0.519 1.00 0.00 C ATOM 0 H PHE A 65 0.727 12.719 0.276 1.00 0.00 H new ATOM 0 HA PHE A 65 0.804 10.841 -1.907 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.609 13.454 -1.321 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.696 12.725 -2.912 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.582 10.843 0.285 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.008 12.179 -2.951 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.404 9.387 1.054 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.834 10.726 -2.184 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.533 9.321 -0.184 1.00 0.00 H new ATOM 968 N THR A 66 2.407 11.826 -3.500 1.00 0.00 N ATOM 969 CA THR A 66 3.384 12.361 -4.439 1.00 0.00 C ATOM 970 C THR A 66 2.760 12.592 -5.810 1.00 0.00 C ATOM 971 O THR A 66 3.114 13.539 -6.512 1.00 0.00 O ATOM 972 CB THR A 66 4.593 11.419 -4.589 1.00 0.00 C ATOM 973 OG1 THR A 66 4.149 10.107 -4.954 1.00 0.00 O ATOM 974 CG2 THR A 66 5.390 11.349 -3.295 1.00 0.00 C ATOM 0 H THR A 66 2.205 10.834 -3.622 1.00 0.00 H new ATOM 0 HA THR A 66 3.724 13.314 -4.033 1.00 0.00 H new ATOM 0 HB THR A 66 5.239 11.815 -5.373 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.170 10.092 -4.992 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.239 10.678 -3.426 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.751 12.344 -3.036 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.752 10.975 -2.494 1.00 0.00 H new ATOM 982 N ASP A 67 1.829 11.722 -6.185 1.00 0.00 N ATOM 983 CA ASP A 67 1.154 11.832 -7.473 1.00 0.00 C ATOM 984 C ASP A 67 -0.311 11.425 -7.355 1.00 0.00 C ATOM 985 O ASP A 67 -0.655 10.516 -6.598 1.00 0.00 O ATOM 986 CB ASP A 67 1.855 10.962 -8.517 1.00 0.00 C ATOM 987 CG ASP A 67 1.725 11.521 -9.920 1.00 0.00 C ATOM 988 OD1 ASP A 67 0.718 12.207 -10.193 1.00 0.00 O ATOM 989 OD2 ASP A 67 2.629 11.273 -10.745 1.00 0.00 O ATOM 0 H ASP A 67 1.524 10.933 -5.615 1.00 0.00 H new ATOM 0 HA ASP A 67 1.199 12.874 -7.791 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.911 10.873 -8.261 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.434 9.957 -8.489 1.00 0.00 H new ATOM 994 N LEU A 68 -1.171 12.104 -8.106 1.00 0.00 N ATOM 995 CA LEU A 68 -2.601 11.814 -8.085 1.00 0.00 C ATOM 996 C LEU A 68 -3.212 11.991 -9.471 1.00 0.00 C ATOM 997 O LEU A 68 -3.332 13.109 -9.971 1.00 0.00 O ATOM 998 CB LEU A 68 -3.311 12.725 -7.082 1.00 0.00 C ATOM 999 CG LEU A 68 -2.926 12.536 -5.615 1.00 0.00 C ATOM 1000 CD1 LEU A 68 -3.469 13.677 -4.769 1.00 0.00 C ATOM 1001 CD2 LEU A 68 -3.433 11.198 -5.098 1.00 0.00 C ATOM 0 H LEU A 68 -0.903 12.859 -8.737 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.732 10.776 -7.780 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.113 13.761 -7.358 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.386 12.570 -7.178 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.838 12.542 -5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.185 13.525 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.056 14.621 -5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.556 13.704 -4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.149 11.081 -4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.519 11.162 -5.186 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.994 10.391 -5.685 1.00 0.00 H new ATOM 1013 N VAL A 69 -3.601 10.878 -10.087 1.00 0.00 N ATOM 1014 CA VAL A 69 -4.203 10.910 -11.414 1.00 0.00 C ATOM 1015 C VAL A 69 -5.682 10.541 -11.356 1.00 0.00 C ATOM 1016 O VAL A 69 -6.091 9.626 -10.641 1.00 0.00 O ATOM 1017 CB VAL A 69 -3.484 9.950 -12.381 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -3.982 10.152 -13.804 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -1.978 10.144 -12.301 1.00 0.00 C ATOM 0 H VAL A 69 -3.510 9.944 -9.688 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.100 11.930 -11.783 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.712 8.926 -12.085 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.463 9.465 -14.472 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.054 9.958 -13.845 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.787 11.178 -14.115 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.486 9.458 -12.990 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.729 11.170 -12.570 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.639 9.943 -11.285 1.00 0.00 H new ATOM 1029 N PRO A 70 -6.504 11.270 -12.125 1.00 0.00 N ATOM 1030 CA PRO A 70 -7.950 11.037 -12.179 1.00 0.00 C ATOM 1031 C PRO A 70 -8.294 9.564 -12.367 1.00 0.00 C ATOM 1032 O PRO A 70 -8.014 8.981 -13.414 1.00 0.00 O ATOM 1033 CB PRO A 70 -8.395 11.850 -13.398 1.00 0.00 C ATOM 1034 CG PRO A 70 -7.375 12.928 -13.527 1.00 0.00 C ATOM 1035 CD PRO A 70 -6.085 12.376 -13.002 1.00 0.00 C ATOM 0 HA PRO A 70 -8.444 11.327 -11.252 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.432 11.231 -14.294 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.393 12.264 -13.255 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.268 13.235 -14.567 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.674 13.811 -12.963 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.443 12.024 -13.810 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.522 13.130 -12.452 1.00 0.00 H new ATOM 1043 N GLU A 71 -8.903 8.968 -11.346 1.00 0.00 N ATOM 1044 CA GLU A 71 -9.284 7.561 -11.400 1.00 0.00 C ATOM 1045 C GLU A 71 -8.346 6.778 -12.315 1.00 0.00 C ATOM 1046 O GLU A 71 -8.790 6.024 -13.180 1.00 0.00 O ATOM 1047 CB GLU A 71 -10.726 7.419 -11.890 1.00 0.00 C ATOM 1048 CG GLU A 71 -11.708 8.323 -11.161 1.00 0.00 C ATOM 1049 CD GLU A 71 -13.100 8.274 -11.760 1.00 0.00 C ATOM 1050 OE1 GLU A 71 -13.390 7.321 -12.513 1.00 0.00 O ATOM 1051 OE2 GLU A 71 -13.899 9.191 -11.476 1.00 0.00 O ATOM 0 H GLU A 71 -9.143 9.437 -10.473 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.207 7.152 -10.393 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.762 7.642 -12.956 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.041 6.382 -11.770 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.757 8.029 -10.112 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.341 9.349 -11.188 1.00 0.00 H new ATOM 1058 N LYS A 72 -7.045 6.963 -12.116 1.00 0.00 N ATOM 1059 CA LYS A 72 -6.042 6.275 -12.921 1.00 0.00 C ATOM 1060 C LYS A 72 -5.039 5.545 -12.033 1.00 0.00 C ATOM 1061 O LYS A 72 -4.879 4.328 -12.131 1.00 0.00 O ATOM 1062 CB LYS A 72 -5.310 7.272 -13.823 1.00 0.00 C ATOM 1063 CG LYS A 72 -6.121 7.708 -15.031 1.00 0.00 C ATOM 1064 CD LYS A 72 -5.704 6.955 -16.283 1.00 0.00 C ATOM 1065 CE LYS A 72 -4.453 7.557 -16.905 1.00 0.00 C ATOM 1066 NZ LYS A 72 -4.759 8.789 -17.684 1.00 0.00 N ATOM 0 H LYS A 72 -6.660 7.584 -11.404 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.553 5.540 -13.543 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.044 8.152 -13.237 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.377 6.823 -14.165 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.181 7.539 -14.839 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.993 8.779 -15.189 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.522 5.909 -16.036 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.517 6.974 -17.008 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.734 7.793 -16.120 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.982 6.822 -17.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.886 9.150 -18.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.451 8.567 -18.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.154 9.512 -17.049 1.00 0.00 H new ATOM 1080 N HIS A 73 -4.368 6.296 -11.165 1.00 0.00 N ATOM 1081 CA HIS A 73 -3.382 5.719 -10.258 1.00 0.00 C ATOM 1082 C HIS A 73 -3.036 6.697 -9.139 1.00 0.00 C ATOM 1083 O HIS A 73 -3.319 7.892 -9.236 1.00 0.00 O ATOM 1084 CB HIS A 73 -2.116 5.335 -11.025 1.00 0.00 C ATOM 1085 CG HIS A 73 -1.011 6.338 -10.897 1.00 0.00 C ATOM 1086 ND1 HIS A 73 -1.046 7.689 -10.816 1.00 0.00 N flip ATOM 1087 CD2 HIS A 73 0.321 5.987 -10.842 1.00 0.00 C flip ATOM 1088 CE1 HIS A 73 0.252 8.125 -10.713 1.00 0.00 C flip ATOM 1089 NE2 HIS A 73 1.058 7.078 -10.731 1.00 0.00 N flip ATOM 0 H HIS A 73 -4.489 7.304 -11.071 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.814 4.823 -9.813 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.762 4.369 -10.665 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.363 5.212 -12.079 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.703 4.978 -10.883 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.563 9.156 -10.631 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.076 7.107 -10.670 1.00 0.00 H new ATOM 1098 N ILE A 74 -2.424 6.182 -8.078 1.00 0.00 N ATOM 1099 CA ILE A 74 -2.040 7.010 -6.942 1.00 0.00 C ATOM 1100 C ILE A 74 -0.654 6.633 -6.431 1.00 0.00 C ATOM 1101 O ILE A 74 -0.368 5.461 -6.185 1.00 0.00 O ATOM 1102 CB ILE A 74 -3.052 6.885 -5.787 1.00 0.00 C ATOM 1103 CG1 ILE A 74 -4.446 7.307 -6.254 1.00 0.00 C ATOM 1104 CG2 ILE A 74 -2.607 7.726 -4.600 1.00 0.00 C ATOM 1105 CD1 ILE A 74 -5.546 6.941 -5.282 1.00 0.00 C ATOM 0 H ILE A 74 -2.184 5.195 -7.982 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.027 8.042 -7.293 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.095 5.842 -5.472 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.456 8.385 -6.412 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.654 6.841 -7.217 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.332 7.627 -3.792 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.631 7.382 -4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.538 8.772 -4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.506 7.271 -5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.563 5.860 -5.142 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.362 7.428 -4.324 1.00 0.00 H new ATOM 1117 N VAL A 75 0.204 7.635 -6.271 1.00 0.00 N ATOM 1118 CA VAL A 75 1.561 7.411 -5.786 1.00 0.00 C ATOM 1119 C VAL A 75 1.811 8.163 -4.484 1.00 0.00 C ATOM 1120 O VAL A 75 1.725 9.390 -4.438 1.00 0.00 O ATOM 1121 CB VAL A 75 2.609 7.846 -6.827 1.00 0.00 C ATOM 1122 CG1 VAL A 75 3.972 7.261 -6.491 1.00 0.00 C ATOM 1123 CG2 VAL A 75 2.173 7.435 -8.225 1.00 0.00 C ATOM 0 H VAL A 75 -0.016 8.611 -6.470 1.00 0.00 H new ATOM 0 HA VAL A 75 1.660 6.340 -5.608 1.00 0.00 H new ATOM 0 HB VAL A 75 2.691 8.933 -6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.699 7.580 -7.238 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.286 7.611 -5.507 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.910 6.173 -6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.925 7.750 -8.948 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.061 6.352 -8.267 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.220 7.908 -8.463 1.00 0.00 H new ATOM 1133 N MET A 76 2.122 7.419 -3.427 1.00 0.00 N ATOM 1134 CA MET A 76 2.387 8.017 -2.124 1.00 0.00 C ATOM 1135 C MET A 76 3.370 7.167 -1.325 1.00 0.00 C ATOM 1136 O MET A 76 3.801 6.107 -1.779 1.00 0.00 O ATOM 1137 CB MET A 76 1.083 8.182 -1.340 1.00 0.00 C ATOM 1138 CG MET A 76 0.574 6.887 -0.729 1.00 0.00 C ATOM 1139 SD MET A 76 -1.189 6.941 -0.356 1.00 0.00 S ATOM 1140 CE MET A 76 -1.733 5.386 -1.060 1.00 0.00 C ATOM 0 H MET A 76 2.197 6.402 -3.448 1.00 0.00 H new ATOM 0 HA MET A 76 2.832 8.999 -2.287 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.236 8.913 -0.546 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.318 8.586 -2.003 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.771 6.064 -1.416 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.129 6.679 0.186 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.807 5.274 -0.908 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.514 5.374 -2.128 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.210 4.563 -0.573 1.00 0.00 H new ATOM 1150 N LYS A 77 3.721 7.639 -0.134 1.00 0.00 N ATOM 1151 CA LYS A 77 4.653 6.922 0.729 1.00 0.00 C ATOM 1152 C LYS A 77 3.906 6.142 1.807 1.00 0.00 C ATOM 1153 O LYS A 77 2.807 6.521 2.210 1.00 0.00 O ATOM 1154 CB LYS A 77 5.634 7.900 1.379 1.00 0.00 C ATOM 1155 CG LYS A 77 6.755 8.342 0.455 1.00 0.00 C ATOM 1156 CD LYS A 77 7.853 9.066 1.216 1.00 0.00 C ATOM 1157 CE LYS A 77 7.576 10.559 1.308 1.00 0.00 C ATOM 1158 NZ LYS A 77 8.751 11.310 1.830 1.00 0.00 N ATOM 0 H LYS A 77 3.374 8.515 0.256 1.00 0.00 H new ATOM 0 HA LYS A 77 5.209 6.215 0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.086 8.779 1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.067 7.433 2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.175 7.473 -0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.354 8.998 -0.318 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.938 8.648 2.219 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.810 8.902 0.720 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.310 10.940 0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.718 10.730 1.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.468 12.285 2.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.105 10.846 2.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.502 11.324 1.110 1.00 0.00 H new ATOM 1172 N TRP A 78 4.511 5.054 2.269 1.00 0.00 N ATOM 1173 CA TRP A 78 3.903 4.223 3.302 1.00 0.00 C ATOM 1174 C TRP A 78 4.936 3.808 4.344 1.00 0.00 C ATOM 1175 O TRP A 78 6.107 3.606 4.025 1.00 0.00 O ATOM 1176 CB TRP A 78 3.266 2.981 2.676 1.00 0.00 C ATOM 1177 CG TRP A 78 2.184 2.378 3.521 1.00 0.00 C ATOM 1178 CD1 TRP A 78 0.837 2.517 3.348 1.00 0.00 C ATOM 1179 CD2 TRP A 78 2.360 1.545 4.671 1.00 0.00 C ATOM 1180 NE1 TRP A 78 0.164 1.819 4.323 1.00 0.00 N ATOM 1181 CE2 TRP A 78 1.076 1.213 5.146 1.00 0.00 C ATOM 1182 CE3 TRP A 78 3.478 1.044 5.345 1.00 0.00 C ATOM 1183 CZ2 TRP A 78 0.882 0.406 6.263 1.00 0.00 C ATOM 1184 CZ3 TRP A 78 3.283 0.243 6.454 1.00 0.00 C ATOM 1185 CH2 TRP A 78 1.993 -0.071 6.904 1.00 0.00 C ATOM 0 H TRP A 78 5.421 4.727 1.945 1.00 0.00 H new ATOM 0 HA TRP A 78 3.129 4.810 3.797 1.00 0.00 H new ATOM 0 HB2 TRP A 78 2.852 3.245 1.703 1.00 0.00 H new ATOM 0 HB3 TRP A 78 4.040 2.233 2.501 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.369 3.090 2.562 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -0.850 1.762 4.418 1.00 0.00 H new ATOM 0 HE3 TRP A 78 4.476 1.279 5.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.111 0.164 6.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.139 -0.148 6.983 1.00 0.00 H new ATOM 0 HH2 TRP A 78 1.874 -0.701 7.773 1.00 0.00 H new ATOM 1196 N ARG A 79 4.493 3.683 5.591 1.00 0.00 N ATOM 1197 CA ARG A 79 5.380 3.293 6.681 1.00 0.00 C ATOM 1198 C ARG A 79 4.596 3.091 7.974 1.00 0.00 C ATOM 1199 O ARG A 79 3.418 3.438 8.059 1.00 0.00 O ATOM 1200 CB ARG A 79 6.463 4.353 6.889 1.00 0.00 C ATOM 1201 CG ARG A 79 5.933 5.666 7.442 1.00 0.00 C ATOM 1202 CD ARG A 79 6.978 6.377 8.287 1.00 0.00 C ATOM 1203 NE ARG A 79 7.196 5.707 9.567 1.00 0.00 N ATOM 1204 CZ ARG A 79 7.728 6.304 10.627 1.00 0.00 C ATOM 1205 NH1 ARG A 79 8.094 7.576 10.562 1.00 0.00 N ATOM 1206 NH2 ARG A 79 7.894 5.628 11.757 1.00 0.00 N ATOM 0 H ARG A 79 3.526 3.846 5.872 1.00 0.00 H new ATOM 0 HA ARG A 79 5.852 2.348 6.412 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.218 3.960 7.570 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.960 4.544 5.938 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.628 6.312 6.619 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.044 5.476 8.044 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.918 6.423 7.737 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.662 7.405 8.465 1.00 0.00 H new ATOM 0 HE ARG A 79 6.925 4.727 9.651 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.967 8.100 9.696 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.502 8.032 11.378 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.613 4.649 11.812 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.303 6.087 12.571 1.00 0.00 H new ATOM 1220 N PHE A 80 5.258 2.526 8.979 1.00 0.00 N ATOM 1221 CA PHE A 80 4.623 2.276 10.268 1.00 0.00 C ATOM 1222 C PHE A 80 5.043 3.324 11.294 1.00 0.00 C ATOM 1223 O PHE A 80 5.999 4.069 11.081 1.00 0.00 O ATOM 1224 CB PHE A 80 4.981 0.877 10.774 1.00 0.00 C ATOM 1225 CG PHE A 80 3.993 -0.179 10.369 1.00 0.00 C ATOM 1226 CD1 PHE A 80 2.632 0.036 10.510 1.00 0.00 C ATOM 1227 CD2 PHE A 80 4.426 -1.388 9.847 1.00 0.00 C ATOM 1228 CE1 PHE A 80 1.720 -0.933 10.137 1.00 0.00 C ATOM 1229 CE2 PHE A 80 3.519 -2.361 9.472 1.00 0.00 C ATOM 1230 CZ PHE A 80 2.164 -2.134 9.619 1.00 0.00 C ATOM 0 H PHE A 80 6.233 2.233 8.925 1.00 0.00 H new ATOM 0 HA PHE A 80 3.543 2.340 10.132 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.967 0.604 10.397 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.051 0.900 11.862 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.279 0.972 10.916 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.484 -1.572 9.732 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.661 -0.751 10.250 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.869 -3.298 9.064 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.453 -2.894 9.329 1.00 0.00 H new ATOM 1240 N LYS A 81 4.321 3.375 12.408 1.00 0.00 N ATOM 1241 CA LYS A 81 4.618 4.330 13.469 1.00 0.00 C ATOM 1242 C LYS A 81 5.812 3.869 14.298 1.00 0.00 C ATOM 1243 O LYS A 81 6.279 4.585 15.183 1.00 0.00 O ATOM 1244 CB LYS A 81 3.397 4.514 14.373 1.00 0.00 C ATOM 1245 CG LYS A 81 3.706 5.235 15.674 1.00 0.00 C ATOM 1246 CD LYS A 81 4.082 4.260 16.777 1.00 0.00 C ATOM 1247 CE LYS A 81 2.851 3.610 17.389 1.00 0.00 C ATOM 1248 NZ LYS A 81 3.191 2.359 18.123 1.00 0.00 N ATOM 0 H LYS A 81 3.526 2.766 12.600 1.00 0.00 H new ATOM 0 HA LYS A 81 4.867 5.284 13.005 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.634 5.073 13.830 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.974 3.536 14.601 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.523 5.939 15.516 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.838 5.818 15.983 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.740 3.490 16.375 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.642 4.784 17.552 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.371 4.312 18.071 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.130 3.385 16.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.325 1.946 18.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.626 1.679 17.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.859 2.577 18.890 1.00 0.00 H new ATOM 1262 N SER A 82 6.303 2.669 14.004 1.00 0.00 N ATOM 1263 CA SER A 82 7.442 2.112 14.724 1.00 0.00 C ATOM 1264 C SER A 82 8.676 2.056 13.829 1.00 0.00 C ATOM 1265 O SER A 82 9.800 1.916 14.310 1.00 0.00 O ATOM 1266 CB SER A 82 7.110 0.711 15.241 1.00 0.00 C ATOM 1267 OG SER A 82 8.227 0.129 15.890 1.00 0.00 O ATOM 0 H SER A 82 5.930 2.064 13.272 1.00 0.00 H new ATOM 0 HA SER A 82 7.658 2.763 15.571 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.270 0.765 15.934 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.797 0.078 14.410 1.00 0.00 H new ATOM 0 HG SER A 82 7.989 -0.765 16.213 1.00 0.00 H new ATOM 1273 N TRP A 83 8.458 2.168 12.523 1.00 0.00 N ATOM 1274 CA TRP A 83 9.552 2.130 11.559 1.00 0.00 C ATOM 1275 C TRP A 83 10.615 3.168 11.902 1.00 0.00 C ATOM 1276 O TRP A 83 10.356 4.151 12.597 1.00 0.00 O ATOM 1277 CB TRP A 83 9.021 2.373 10.145 1.00 0.00 C ATOM 1278 CG TRP A 83 8.520 1.128 9.477 1.00 0.00 C ATOM 1279 CD1 TRP A 83 8.221 -0.061 10.079 1.00 0.00 C ATOM 1280 CD2 TRP A 83 8.260 0.951 8.081 1.00 0.00 C ATOM 1281 NE1 TRP A 83 7.792 -0.968 9.140 1.00 0.00 N ATOM 1282 CE2 TRP A 83 7.806 -0.371 7.906 1.00 0.00 C ATOM 1283 CE3 TRP A 83 8.365 1.780 6.961 1.00 0.00 C ATOM 1284 CZ2 TRP A 83 7.459 -0.880 6.658 1.00 0.00 C ATOM 1285 CZ3 TRP A 83 8.021 1.273 5.722 1.00 0.00 C ATOM 1286 CH2 TRP A 83 7.572 -0.047 5.579 1.00 0.00 C ATOM 0 H TRP A 83 7.534 2.286 12.108 1.00 0.00 H new ATOM 0 HA TRP A 83 10.009 1.141 11.603 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.213 3.104 10.188 1.00 0.00 H new ATOM 0 HB3 TRP A 83 9.813 2.809 9.537 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.309 -0.259 11.137 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.509 -1.929 9.330 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.709 2.799 7.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 7.113 -1.897 6.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 8.100 1.905 4.849 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.310 -0.414 4.597 1.00 0.00 H new ATOM 1333 N HIS A 87 12.118 6.766 7.132 1.00 0.00 N ATOM 1334 CA HIS A 87 12.096 5.539 6.343 1.00 0.00 C ATOM 1335 C HIS A 87 10.684 5.235 5.851 1.00 0.00 C ATOM 1336 O HIS A 87 9.848 4.734 6.603 1.00 0.00 O ATOM 1337 CB HIS A 87 12.624 4.367 7.170 1.00 0.00 C ATOM 1338 CG HIS A 87 13.056 3.196 6.342 1.00 0.00 C ATOM 1339 ND1 HIS A 87 14.379 2.902 6.087 1.00 0.00 N ATOM 1340 CD2 HIS A 87 12.332 2.242 5.711 1.00 0.00 C ATOM 1341 CE1 HIS A 87 14.450 1.819 5.334 1.00 0.00 C ATOM 1342 NE2 HIS A 87 13.221 1.399 5.092 1.00 0.00 N ATOM 0 HA HIS A 87 12.741 5.682 5.476 1.00 0.00 H new ATOM 0 HB2 HIS A 87 13.467 4.708 7.771 1.00 0.00 H new ATOM 0 HB3 HIS A 87 11.848 4.044 7.864 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.255 2.160 5.697 1.00 0.00 H new ATOM 0 HE1 HIS A 87 15.358 1.356 4.977 1.00 0.00 H new ATOM 0 HE2 HIS A 87 12.973 0.581 4.535 1.00 0.00 H new ATOM 1351 N PHE A 88 10.426 5.542 4.584 1.00 0.00 N ATOM 1352 CA PHE A 88 9.115 5.303 3.991 1.00 0.00 C ATOM 1353 C PHE A 88 9.230 4.415 2.756 1.00 0.00 C ATOM 1354 O PHE A 88 10.328 4.158 2.263 1.00 0.00 O ATOM 1355 CB PHE A 88 8.451 6.630 3.619 1.00 0.00 C ATOM 1356 CG PHE A 88 8.109 7.484 4.806 1.00 0.00 C ATOM 1357 CD1 PHE A 88 9.110 8.029 5.595 1.00 0.00 C ATOM 1358 CD2 PHE A 88 6.788 7.741 5.135 1.00 0.00 C ATOM 1359 CE1 PHE A 88 8.799 8.816 6.688 1.00 0.00 C ATOM 1360 CE2 PHE A 88 6.472 8.527 6.226 1.00 0.00 C ATOM 1361 CZ PHE A 88 7.478 9.064 7.005 1.00 0.00 C ATOM 0 H PHE A 88 11.107 5.957 3.948 1.00 0.00 H new ATOM 0 HA PHE A 88 8.498 4.790 4.729 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.117 7.188 2.960 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.541 6.426 3.054 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.145 7.837 5.353 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.996 7.322 4.532 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.588 9.237 7.293 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.438 8.722 6.470 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.232 9.676 7.860 1.00 0.00 H new ATOM 1371 N ALA A 89 8.088 3.947 2.262 1.00 0.00 N ATOM 1372 CA ALA A 89 8.059 3.089 1.085 1.00 0.00 C ATOM 1373 C ALA A 89 7.240 3.721 -0.036 1.00 0.00 C ATOM 1374 O ALA A 89 6.123 4.188 0.185 1.00 0.00 O ATOM 1375 CB ALA A 89 7.499 1.720 1.443 1.00 0.00 C ATOM 0 H ALA A 89 7.170 4.148 2.660 1.00 0.00 H new ATOM 0 HA ALA A 89 9.082 2.969 0.729 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.483 1.090 0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.127 1.258 2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.485 1.831 1.827 1.00 0.00 H new ATOM 1381 N THR A 90 7.804 3.733 -1.240 1.00 0.00 N ATOM 1382 CA THR A 90 7.127 4.310 -2.394 1.00 0.00 C ATOM 1383 C THR A 90 6.047 3.373 -2.923 1.00 0.00 C ATOM 1384 O THR A 90 6.346 2.353 -3.544 1.00 0.00 O ATOM 1385 CB THR A 90 8.120 4.622 -3.530 1.00 0.00 C ATOM 1386 OG1 THR A 90 9.233 5.362 -3.017 1.00 0.00 O ATOM 1387 CG2 THR A 90 7.443 5.416 -4.637 1.00 0.00 C ATOM 0 H THR A 90 8.728 3.350 -1.441 1.00 0.00 H new ATOM 0 HA THR A 90 6.666 5.239 -2.058 1.00 0.00 H new ATOM 0 HB THR A 90 8.472 3.678 -3.945 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.861 5.555 -3.744 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.163 5.625 -5.428 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.614 4.838 -5.045 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.066 6.355 -4.233 1.00 0.00 H new ATOM 1395 N ILE A 91 4.790 3.725 -2.672 1.00 0.00 N ATOM 1396 CA ILE A 91 3.666 2.916 -3.125 1.00 0.00 C ATOM 1397 C ILE A 91 2.931 3.591 -4.278 1.00 0.00 C ATOM 1398 O ILE A 91 2.693 4.799 -4.255 1.00 0.00 O ATOM 1399 CB ILE A 91 2.668 2.649 -1.982 1.00 0.00 C ATOM 1400 CG1 ILE A 91 3.218 1.579 -1.036 1.00 0.00 C ATOM 1401 CG2 ILE A 91 1.320 2.223 -2.545 1.00 0.00 C ATOM 1402 CD1 ILE A 91 4.499 1.988 -0.342 1.00 0.00 C ATOM 0 H ILE A 91 4.525 4.565 -2.157 1.00 0.00 H new ATOM 0 HA ILE A 91 4.079 1.967 -3.467 1.00 0.00 H new ATOM 0 HB ILE A 91 2.529 3.571 -1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.464 1.348 -0.283 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.396 0.663 -1.600 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.626 2.038 -1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.926 3.014 -3.183 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.442 1.312 -3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.831 1.182 0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.268 2.191 -1.087 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.322 2.886 0.250 1.00 0.00 H new ATOM 1414 N THR A 92 2.572 2.803 -5.287 1.00 0.00 N ATOM 1415 CA THR A 92 1.864 3.324 -6.449 1.00 0.00 C ATOM 1416 C THR A 92 0.680 2.436 -6.815 1.00 0.00 C ATOM 1417 O THR A 92 0.846 1.389 -7.443 1.00 0.00 O ATOM 1418 CB THR A 92 2.797 3.444 -7.669 1.00 0.00 C ATOM 1419 OG1 THR A 92 3.834 4.394 -7.401 1.00 0.00 O ATOM 1420 CG2 THR A 92 2.020 3.869 -8.905 1.00 0.00 C ATOM 0 H THR A 92 2.760 1.801 -5.322 1.00 0.00 H new ATOM 0 HA THR A 92 1.502 4.316 -6.179 1.00 0.00 H new ATOM 0 HB THR A 92 3.240 2.466 -7.857 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.424 4.463 -8.181 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.700 3.947 -9.753 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.251 3.128 -9.124 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.552 4.837 -8.725 1.00 0.00 H new ATOM 1428 N LEU A 93 -0.515 2.860 -6.420 1.00 0.00 N ATOM 1429 CA LEU A 93 -1.729 2.103 -6.707 1.00 0.00 C ATOM 1430 C LEU A 93 -2.242 2.408 -8.111 1.00 0.00 C ATOM 1431 O LEU A 93 -1.944 3.460 -8.678 1.00 0.00 O ATOM 1432 CB LEU A 93 -2.811 2.425 -5.675 1.00 0.00 C ATOM 1433 CG LEU A 93 -2.643 1.774 -4.302 1.00 0.00 C ATOM 1434 CD1 LEU A 93 -3.516 2.472 -3.270 1.00 0.00 C ATOM 1435 CD2 LEU A 93 -2.977 0.291 -4.370 1.00 0.00 C ATOM 0 H LEU A 93 -0.670 3.724 -5.900 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.487 1.042 -6.651 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.847 3.506 -5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.776 2.123 -6.083 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.602 1.878 -3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.383 1.995 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.230 3.521 -3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.562 2.400 -3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.852 -0.156 -3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.009 0.165 -4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.310 -0.200 -5.078 1.00 0.00 H new ATOM 1447 N THR A 94 -3.017 1.482 -8.667 1.00 0.00 N ATOM 1448 CA THR A 94 -3.572 1.652 -10.004 1.00 0.00 C ATOM 1449 C THR A 94 -4.966 1.043 -10.101 1.00 0.00 C ATOM 1450 O THR A 94 -5.183 -0.103 -9.706 1.00 0.00 O ATOM 1451 CB THR A 94 -2.668 1.012 -11.074 1.00 0.00 C ATOM 1452 OG1 THR A 94 -1.291 1.183 -10.718 1.00 0.00 O ATOM 1453 CG2 THR A 94 -2.925 1.630 -12.440 1.00 0.00 C ATOM 0 H THR A 94 -3.275 0.606 -8.212 1.00 0.00 H new ATOM 0 HA THR A 94 -3.633 2.725 -10.187 1.00 0.00 H new ATOM 0 HB THR A 94 -2.900 -0.052 -11.125 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.723 0.772 -11.402 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.275 1.162 -13.179 1.00 0.00 H new ATOM 0 HG22 THR A 94 -3.966 1.472 -12.721 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.718 2.699 -12.400 1.00 0.00 H new ATOM 1461 N PHE A 95 -5.909 1.815 -10.631 1.00 0.00 N ATOM 1462 CA PHE A 95 -7.283 1.350 -10.781 1.00 0.00 C ATOM 1463 C PHE A 95 -7.572 0.965 -12.229 1.00 0.00 C ATOM 1464 O PHE A 95 -7.308 1.736 -13.152 1.00 0.00 O ATOM 1465 CB PHE A 95 -8.262 2.433 -10.324 1.00 0.00 C ATOM 1466 CG PHE A 95 -7.974 2.961 -8.948 1.00 0.00 C ATOM 1467 CD1 PHE A 95 -6.851 3.737 -8.710 1.00 0.00 C ATOM 1468 CD2 PHE A 95 -8.825 2.680 -7.891 1.00 0.00 C ATOM 1469 CE1 PHE A 95 -6.582 4.223 -7.445 1.00 0.00 C ATOM 1470 CE2 PHE A 95 -8.562 3.163 -6.623 1.00 0.00 C ATOM 1471 CZ PHE A 95 -7.440 3.937 -6.400 1.00 0.00 C ATOM 0 H PHE A 95 -5.747 2.765 -10.964 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.412 0.466 -10.156 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.234 3.259 -11.034 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.274 2.029 -10.345 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.178 3.965 -9.523 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.704 2.076 -8.060 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.702 4.826 -7.273 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -9.233 2.936 -5.808 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.234 4.318 -5.411 1.00 0.00 H new ATOM 1481 N ILE A 96 -8.116 -0.232 -12.419 1.00 0.00 N ATOM 1482 CA ILE A 96 -8.442 -0.719 -13.753 1.00 0.00 C ATOM 1483 C ILE A 96 -9.942 -0.948 -13.904 1.00 0.00 C ATOM 1484 O ILE A 96 -10.638 -1.234 -12.930 1.00 0.00 O ATOM 1485 CB ILE A 96 -7.700 -2.031 -14.070 1.00 0.00 C ATOM 1486 CG1 ILE A 96 -6.196 -1.860 -13.843 1.00 0.00 C ATOM 1487 CG2 ILE A 96 -7.979 -2.465 -15.501 1.00 0.00 C ATOM 1488 CD1 ILE A 96 -5.446 -3.170 -13.753 1.00 0.00 C ATOM 0 H ILE A 96 -8.340 -0.882 -11.666 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.122 0.050 -14.456 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.064 -2.808 -13.398 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.779 -1.267 -14.657 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.037 -1.296 -12.924 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.448 -3.394 -15.710 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.050 -2.622 -15.631 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.640 -1.690 -16.189 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.386 -2.972 -13.592 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.836 -3.756 -12.921 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.574 -3.727 -14.681 1.00 0.00 H new ATOM 1500 N ASP A 97 -10.433 -0.821 -15.132 1.00 0.00 N ATOM 1501 CA ASP A 97 -11.851 -1.017 -15.412 1.00 0.00 C ATOM 1502 C ASP A 97 -12.100 -2.394 -16.019 1.00 0.00 C ATOM 1503 O ASP A 97 -11.457 -2.780 -16.995 1.00 0.00 O ATOM 1504 CB ASP A 97 -12.361 0.071 -16.358 1.00 0.00 C ATOM 1505 CG ASP A 97 -13.635 -0.334 -17.074 1.00 0.00 C ATOM 1506 OD1 ASP A 97 -13.603 -1.333 -17.822 1.00 0.00 O ATOM 1507 OD2 ASP A 97 -14.663 0.348 -16.884 1.00 0.00 O ATOM 0 H ASP A 97 -9.871 -0.583 -15.949 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.394 -0.952 -14.469 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.541 0.985 -15.792 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.590 0.298 -17.095 1.00 0.00 H new ATOM 1512 N LYS A 98 -13.038 -3.132 -15.434 1.00 0.00 N ATOM 1513 CA LYS A 98 -13.373 -4.467 -15.916 1.00 0.00 C ATOM 1514 C LYS A 98 -14.865 -4.579 -16.213 1.00 0.00 C ATOM 1515 O LYS A 98 -15.392 -5.677 -16.385 1.00 0.00 O ATOM 1516 CB LYS A 98 -12.967 -5.521 -14.884 1.00 0.00 C ATOM 1517 CG LYS A 98 -11.687 -5.182 -14.139 1.00 0.00 C ATOM 1518 CD LYS A 98 -10.461 -5.403 -15.008 1.00 0.00 C ATOM 1519 CE LYS A 98 -9.908 -6.810 -14.844 1.00 0.00 C ATOM 1520 NZ LYS A 98 -10.569 -7.778 -15.763 1.00 0.00 N ATOM 0 H LYS A 98 -13.580 -2.828 -14.625 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.822 -4.642 -16.840 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -13.776 -5.642 -14.163 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -12.842 -6.480 -15.387 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.720 -4.143 -13.812 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.614 -5.796 -13.242 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.719 -5.232 -16.053 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.692 -4.676 -14.746 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.835 -6.803 -15.035 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.046 -7.136 -13.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.923 -8.570 -15.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.438 -8.139 -15.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.808 -7.301 -16.656 1.00 0.00 H new ATOM 1534 N ASN A 99 -15.540 -3.435 -16.272 1.00 0.00 N ATOM 1535 CA ASN A 99 -16.971 -3.405 -16.550 1.00 0.00 C ATOM 1536 C ASN A 99 -17.763 -3.995 -15.386 1.00 0.00 C ATOM 1537 O ASN A 99 -18.637 -4.838 -15.581 1.00 0.00 O ATOM 1538 CB ASN A 99 -17.279 -4.178 -17.834 1.00 0.00 C ATOM 1539 CG ASN A 99 -18.463 -3.601 -18.586 1.00 0.00 C ATOM 1540 OD1 ASN A 99 -18.317 -3.086 -19.694 1.00 0.00 O ATOM 1541 ND2 ASN A 99 -19.644 -3.686 -17.984 1.00 0.00 N ATOM 0 H ASN A 99 -15.119 -2.517 -16.131 1.00 0.00 H new ATOM 0 HA ASN A 99 -17.269 -2.365 -16.680 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -16.401 -4.168 -18.480 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -17.481 -5.220 -17.588 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -20.477 -3.316 -18.441 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -19.718 -4.122 -17.065 1.00 0.00 H new ATOM 1548 N GLY A 100 -17.450 -3.543 -14.175 1.00 0.00 N ATOM 1549 CA GLY A 100 -18.141 -4.036 -12.998 1.00 0.00 C ATOM 1550 C GLY A 100 -17.216 -4.200 -11.809 1.00 0.00 C ATOM 1551 O GLY A 100 -17.616 -3.970 -10.668 1.00 0.00 O ATOM 0 H GLY A 100 -16.730 -2.845 -13.988 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -18.944 -3.347 -12.737 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -18.605 -4.995 -13.228 1.00 0.00 H new ATOM 1555 N GLU A 101 -15.976 -4.599 -12.075 1.00 0.00 N ATOM 1556 CA GLU A 101 -14.993 -4.795 -11.016 1.00 0.00 C ATOM 1557 C GLU A 101 -13.748 -3.949 -11.266 1.00 0.00 C ATOM 1558 O GLU A 101 -13.328 -3.763 -12.408 1.00 0.00 O ATOM 1559 CB GLU A 101 -14.608 -6.273 -10.915 1.00 0.00 C ATOM 1560 CG GLU A 101 -15.797 -7.217 -10.970 1.00 0.00 C ATOM 1561 CD GLU A 101 -15.430 -8.640 -10.596 1.00 0.00 C ATOM 1562 OE1 GLU A 101 -14.843 -8.835 -9.511 1.00 0.00 O ATOM 1563 OE2 GLU A 101 -15.729 -9.558 -11.388 1.00 0.00 O ATOM 0 H GLU A 101 -15.629 -4.793 -13.014 1.00 0.00 H new ATOM 0 HA GLU A 101 -15.442 -4.479 -10.075 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.923 -6.518 -11.727 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.068 -6.436 -9.982 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.574 -6.857 -10.295 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.218 -7.207 -11.975 1.00 0.00 H new ATOM 1570 N THR A 102 -13.161 -3.438 -10.188 1.00 0.00 N ATOM 1571 CA THR A 102 -11.966 -2.611 -10.289 1.00 0.00 C ATOM 1572 C THR A 102 -10.735 -3.361 -9.793 1.00 0.00 C ATOM 1573 O THR A 102 -10.689 -3.807 -8.647 1.00 0.00 O ATOM 1574 CB THR A 102 -12.116 -1.306 -9.484 1.00 0.00 C ATOM 1575 OG1 THR A 102 -13.201 -0.531 -10.007 1.00 0.00 O ATOM 1576 CG2 THR A 102 -10.833 -0.489 -9.533 1.00 0.00 C ATOM 0 H THR A 102 -13.494 -3.583 -9.235 1.00 0.00 H new ATOM 0 HA THR A 102 -11.839 -2.367 -11.344 1.00 0.00 H new ATOM 0 HB THR A 102 -12.322 -1.567 -8.446 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.976 -1.112 -10.157 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.963 0.428 -8.958 1.00 0.00 H new ATOM 0 HG22 THR A 102 -10.015 -1.071 -9.109 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.601 -0.238 -10.568 1.00 0.00 H new ATOM 1584 N GLU A 103 -9.739 -3.494 -10.663 1.00 0.00 N ATOM 1585 CA GLU A 103 -8.507 -4.191 -10.312 1.00 0.00 C ATOM 1586 C GLU A 103 -7.469 -3.217 -9.761 1.00 0.00 C ATOM 1587 O GLU A 103 -6.813 -2.498 -10.516 1.00 0.00 O ATOM 1588 CB GLU A 103 -7.941 -4.920 -11.533 1.00 0.00 C ATOM 1589 CG GLU A 103 -7.093 -6.130 -11.180 1.00 0.00 C ATOM 1590 CD GLU A 103 -6.228 -6.593 -12.336 1.00 0.00 C ATOM 1591 OE1 GLU A 103 -6.785 -7.123 -13.320 1.00 0.00 O ATOM 1592 OE2 GLU A 103 -4.993 -6.425 -12.257 1.00 0.00 O ATOM 0 H GLU A 103 -9.761 -3.129 -11.615 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.741 -4.922 -9.538 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.766 -5.238 -12.170 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.339 -4.222 -12.115 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.456 -5.887 -10.329 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.744 -6.947 -10.868 1.00 0.00 H new ATOM 1599 N LEU A 104 -7.326 -3.199 -8.441 1.00 0.00 N ATOM 1600 CA LEU A 104 -6.369 -2.314 -7.787 1.00 0.00 C ATOM 1601 C LEU A 104 -4.984 -2.951 -7.736 1.00 0.00 C ATOM 1602 O LEU A 104 -4.728 -3.841 -6.924 1.00 0.00 O ATOM 1603 CB LEU A 104 -6.840 -1.978 -6.371 1.00 0.00 C ATOM 1604 CG LEU A 104 -5.891 -1.118 -5.534 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -5.985 0.341 -5.953 1.00 0.00 C ATOM 1606 CD2 LEU A 104 -6.201 -1.270 -4.052 1.00 0.00 C ATOM 0 H LEU A 104 -7.861 -3.787 -7.802 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.305 -1.395 -8.370 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.798 -1.463 -6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.018 -2.912 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.871 -1.460 -5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.303 0.938 -5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.714 0.436 -7.004 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.005 0.696 -5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.516 -0.651 -3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.226 -0.954 -3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.082 -2.314 -3.761 1.00 0.00 H new ATOM 1618 N CYS A 105 -4.094 -2.489 -8.607 1.00 0.00 N ATOM 1619 CA CYS A 105 -2.733 -3.013 -8.661 1.00 0.00 C ATOM 1620 C CYS A 105 -1.786 -2.154 -7.830 1.00 0.00 C ATOM 1621 O CYS A 105 -1.396 -1.063 -8.245 1.00 0.00 O ATOM 1622 CB CYS A 105 -2.246 -3.076 -10.109 1.00 0.00 C ATOM 1623 SG CYS A 105 -0.632 -3.866 -10.312 1.00 0.00 S ATOM 0 H CYS A 105 -4.290 -1.753 -9.285 1.00 0.00 H new ATOM 0 HA CYS A 105 -2.741 -4.020 -8.244 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.981 -3.617 -10.705 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -2.195 -2.063 -10.508 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.308 -3.873 -11.571 1.00 0.00 H new ATOM 1629 N MET A 106 -1.423 -2.652 -6.653 1.00 0.00 N ATOM 1630 CA MET A 106 -0.522 -1.930 -5.763 1.00 0.00 C ATOM 1631 C MET A 106 0.930 -2.316 -6.028 1.00 0.00 C ATOM 1632 O MET A 106 1.246 -3.492 -6.206 1.00 0.00 O ATOM 1633 CB MET A 106 -0.878 -2.213 -4.302 1.00 0.00 C ATOM 1634 CG MET A 106 -0.114 -1.348 -3.312 1.00 0.00 C ATOM 1635 SD MET A 106 1.623 -1.812 -3.180 1.00 0.00 S ATOM 1636 CE MET A 106 1.729 -2.242 -1.445 1.00 0.00 C ATOM 0 H MET A 106 -1.739 -3.553 -6.293 1.00 0.00 H new ATOM 0 HA MET A 106 -0.637 -0.864 -5.958 1.00 0.00 H new ATOM 0 HB2 MET A 106 -1.947 -2.056 -4.160 1.00 0.00 H new ATOM 0 HB3 MET A 106 -0.679 -3.262 -4.085 1.00 0.00 H new ATOM 0 HG2 MET A 106 -0.185 -0.304 -3.617 1.00 0.00 H new ATOM 0 HG3 MET A 106 -0.582 -1.426 -2.331 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.505 -2.995 -1.303 1.00 0.00 H new ATOM 0 HE2 MET A 106 1.976 -1.353 -0.864 1.00 0.00 H new ATOM 0 HE3 MET A 106 0.771 -2.640 -1.110 1.00 0.00 H new ATOM 1646 N GLU A 107 1.808 -1.318 -6.053 1.00 0.00 N ATOM 1647 CA GLU A 107 3.226 -1.555 -6.298 1.00 0.00 C ATOM 1648 C GLU A 107 4.087 -0.764 -5.317 1.00 0.00 C ATOM 1649 O GLU A 107 4.348 0.421 -5.519 1.00 0.00 O ATOM 1650 CB GLU A 107 3.589 -1.173 -7.735 1.00 0.00 C ATOM 1651 CG GLU A 107 4.882 -1.803 -8.224 1.00 0.00 C ATOM 1652 CD GLU A 107 5.563 -0.978 -9.299 1.00 0.00 C ATOM 1653 OE1 GLU A 107 5.138 -1.065 -10.470 1.00 0.00 O ATOM 1654 OE2 GLU A 107 6.519 -0.246 -8.969 1.00 0.00 O ATOM 0 H GLU A 107 1.563 -0.339 -5.907 1.00 0.00 H new ATOM 0 HA GLU A 107 3.421 -2.617 -6.152 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.776 -1.471 -8.398 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.675 -0.089 -7.803 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.562 -1.928 -7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.672 -2.799 -8.614 1.00 0.00 H new ATOM 1661 N GLY A 108 4.525 -1.430 -4.253 1.00 0.00 N ATOM 1662 CA GLY A 108 5.351 -0.774 -3.256 1.00 0.00 C ATOM 1663 C GLY A 108 6.792 -1.242 -3.298 1.00 0.00 C ATOM 1664 O GLY A 108 7.060 -2.435 -3.446 1.00 0.00 O ATOM 0 H GLY A 108 4.323 -2.412 -4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.318 0.304 -3.413 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.939 -0.964 -2.265 1.00 0.00 H new ATOM 1668 N ARG A 109 7.722 -0.302 -3.171 1.00 0.00 N ATOM 1669 CA ARG A 109 9.144 -0.624 -3.198 1.00 0.00 C ATOM 1670 C ARG A 109 9.908 0.200 -2.166 1.00 0.00 C ATOM 1671 O ARG A 109 9.947 1.427 -2.242 1.00 0.00 O ATOM 1672 CB ARG A 109 9.718 -0.373 -4.594 1.00 0.00 C ATOM 1673 CG ARG A 109 9.525 1.052 -5.085 1.00 0.00 C ATOM 1674 CD ARG A 109 9.407 1.108 -6.600 1.00 0.00 C ATOM 1675 NE ARG A 109 10.714 1.182 -7.248 1.00 0.00 N ATOM 1676 CZ ARG A 109 10.913 0.913 -8.534 1.00 0.00 C ATOM 1677 NH1 ARG A 109 9.895 0.555 -9.305 1.00 0.00 N ATOM 1678 NH2 ARG A 109 12.131 1.002 -9.051 1.00 0.00 N ATOM 0 H ARG A 109 7.517 0.690 -3.048 1.00 0.00 H new ATOM 0 HA ARG A 109 9.257 -1.679 -2.950 1.00 0.00 H new ATOM 0 HB2 ARG A 109 10.783 -0.605 -4.587 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.248 -1.058 -5.299 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.628 1.475 -4.633 1.00 0.00 H new ATOM 0 HG3 ARG A 109 10.365 1.666 -4.761 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.876 0.225 -6.955 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.811 1.975 -6.885 1.00 0.00 H new ATOM 0 HE ARG A 109 11.518 1.455 -6.683 1.00 0.00 H new ATOM 0 HH11 ARG A 109 8.957 0.486 -8.911 1.00 0.00 H new ATOM 0 HH12 ARG A 109 10.050 0.349 -10.292 1.00 0.00 H new ATOM 0 HH21 ARG A 109 12.916 1.277 -8.461 1.00 0.00 H new ATOM 0 HH22 ARG A 109 12.282 0.795 -10.038 1.00 0.00 H new ATOM 1692 N GLY A 110 10.515 -0.485 -1.201 1.00 0.00 N ATOM 1693 CA GLY A 110 11.269 0.199 -0.167 1.00 0.00 C ATOM 1694 C GLY A 110 10.898 -0.268 1.226 1.00 0.00 C ATOM 1695 O GLY A 110 11.325 0.322 2.220 1.00 0.00 O ATOM 0 H GLY A 110 10.498 -1.501 -1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.334 0.035 -0.330 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.096 1.272 -0.245 1.00 0.00 H new ATOM 1699 N ILE A 111 10.101 -1.328 1.301 1.00 0.00 N ATOM 1700 CA ILE A 111 9.673 -1.873 2.583 1.00 0.00 C ATOM 1701 C ILE A 111 10.796 -2.661 3.248 1.00 0.00 C ATOM 1702 O ILE A 111 11.401 -3.552 2.651 1.00 0.00 O ATOM 1703 CB ILE A 111 8.444 -2.788 2.424 1.00 0.00 C ATOM 1704 CG1 ILE A 111 7.183 -1.950 2.200 1.00 0.00 C ATOM 1705 CG2 ILE A 111 8.285 -3.678 3.647 1.00 0.00 C ATOM 1706 CD1 ILE A 111 6.878 -1.696 0.741 1.00 0.00 C ATOM 0 H ILE A 111 9.738 -1.827 0.489 1.00 0.00 H new ATOM 0 HA ILE A 111 9.405 -1.024 3.213 1.00 0.00 H new ATOM 0 HB ILE A 111 8.594 -3.425 1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 111 6.334 -2.457 2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 111 7.296 -0.994 2.711 1.00 0.00 H new ATOM 0 HG21 ILE A 111 7.412 -4.319 3.520 1.00 0.00 H new ATOM 0 HG22 ILE A 111 9.175 -4.296 3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 111 8.154 -3.058 4.534 1.00 0.00 H new ATOM 0 HD11 ILE A 111 5.972 -1.096 0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 111 7.710 -1.161 0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 111 6.732 -2.647 0.229 1.00 0.00 H new ATOM 1718 N PRO A 112 11.083 -2.328 4.515 1.00 0.00 N ATOM 1719 CA PRO A 112 12.134 -2.994 5.290 1.00 0.00 C ATOM 1720 C PRO A 112 12.046 -4.513 5.200 1.00 0.00 C ATOM 1721 O PRO A 112 10.994 -5.100 5.452 1.00 0.00 O ATOM 1722 CB PRO A 112 11.867 -2.527 6.724 1.00 0.00 C ATOM 1723 CG PRO A 112 11.173 -1.217 6.572 1.00 0.00 C ATOM 1724 CD PRO A 112 10.403 -1.275 5.289 1.00 0.00 C ATOM 0 HA PRO A 112 13.130 -2.745 4.924 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.248 -3.243 7.265 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.795 -2.421 7.285 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.506 -1.034 7.414 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.893 -0.399 6.553 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.355 -1.520 5.463 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.424 -0.318 4.767 1.00 0.00 H new ATOM 1732 N ALA A 113 13.158 -5.145 4.840 1.00 0.00 N ATOM 1733 CA ALA A 113 13.207 -6.597 4.719 1.00 0.00 C ATOM 1734 C ALA A 113 12.718 -7.271 5.997 1.00 0.00 C ATOM 1735 O ALA A 113 11.886 -8.178 5.970 1.00 0.00 O ATOM 1736 CB ALA A 113 14.620 -7.052 4.387 1.00 0.00 C ATOM 0 H ALA A 113 14.037 -4.674 4.627 1.00 0.00 H new ATOM 0 HA ALA A 113 12.543 -6.892 3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 113 14.641 -8.138 4.300 1.00 0.00 H new ATOM 0 HB2 ALA A 113 14.934 -6.606 3.443 1.00 0.00 H new ATOM 0 HB3 ALA A 113 15.299 -6.738 5.180 1.00 0.00 H new ATOM 1742 N PRO A 114 13.247 -6.820 7.144 1.00 0.00 N ATOM 1743 CA PRO A 114 12.879 -7.366 8.454 1.00 0.00 C ATOM 1744 C PRO A 114 11.397 -7.182 8.763 1.00 0.00 C ATOM 1745 O PRO A 114 10.770 -8.046 9.373 1.00 0.00 O ATOM 1746 CB PRO A 114 13.734 -6.553 9.429 1.00 0.00 C ATOM 1747 CG PRO A 114 14.857 -6.030 8.603 1.00 0.00 C ATOM 1748 CD PRO A 114 14.244 -5.742 7.251 1.00 0.00 C ATOM 0 HA PRO A 114 13.049 -8.441 8.511 1.00 0.00 H new ATOM 0 HB2 PRO A 114 13.160 -5.741 9.877 1.00 0.00 H new ATOM 0 HB3 PRO A 114 14.100 -7.174 10.247 1.00 0.00 H new ATOM 0 HG2 PRO A 114 15.285 -5.129 9.043 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.663 -6.760 8.524 1.00 0.00 H new ATOM 0 HD2 PRO A 114 13.785 -4.754 7.211 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.981 -5.784 6.449 1.00 0.00 H new ATOM 1756 N GLU A 115 10.845 -6.050 8.337 1.00 0.00 N ATOM 1757 CA GLU A 115 9.436 -5.754 8.570 1.00 0.00 C ATOM 1758 C GLU A 115 8.595 -6.115 7.349 1.00 0.00 C ATOM 1759 O GLU A 115 7.378 -5.931 7.345 1.00 0.00 O ATOM 1760 CB GLU A 115 9.252 -4.273 8.910 1.00 0.00 C ATOM 1761 CG GLU A 115 10.155 -3.790 10.032 1.00 0.00 C ATOM 1762 CD GLU A 115 11.398 -3.089 9.520 1.00 0.00 C ATOM 1763 OE1 GLU A 115 12.408 -3.780 9.270 1.00 0.00 O ATOM 1764 OE2 GLU A 115 11.362 -1.850 9.370 1.00 0.00 O ATOM 0 H GLU A 115 11.351 -5.324 7.830 1.00 0.00 H new ATOM 0 HA GLU A 115 9.099 -6.357 9.413 1.00 0.00 H new ATOM 0 HB2 GLU A 115 9.445 -3.677 8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.213 -4.100 9.191 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.597 -3.109 10.675 1.00 0.00 H new ATOM 0 HG3 GLU A 115 10.449 -4.640 10.648 1.00 0.00 H new ATOM 1771 N GLU A 116 9.254 -6.629 6.315 1.00 0.00 N ATOM 1772 CA GLU A 116 8.567 -7.015 5.088 1.00 0.00 C ATOM 1773 C GLU A 116 7.319 -7.836 5.398 1.00 0.00 C ATOM 1774 O GLU A 116 6.203 -7.436 5.068 1.00 0.00 O ATOM 1775 CB GLU A 116 9.505 -7.814 4.182 1.00 0.00 C ATOM 1776 CG GLU A 116 8.800 -8.482 3.013 1.00 0.00 C ATOM 1777 CD GLU A 116 9.745 -9.293 2.148 1.00 0.00 C ATOM 1778 OE1 GLU A 116 10.973 -9.181 2.346 1.00 0.00 O ATOM 1779 OE2 GLU A 116 9.257 -10.038 1.273 1.00 0.00 O ATOM 0 H GLU A 116 10.262 -6.788 6.303 1.00 0.00 H new ATOM 0 HA GLU A 116 8.262 -6.105 4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 116 10.278 -7.149 3.797 1.00 0.00 H new ATOM 0 HB3 GLU A 116 10.008 -8.577 4.776 1.00 0.00 H new ATOM 0 HG2 GLU A 116 8.012 -9.133 3.392 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.317 -7.720 2.401 1.00 0.00 H new ATOM 1786 N GLU A 117 7.518 -8.987 6.032 1.00 0.00 N ATOM 1787 CA GLU A 117 6.409 -9.866 6.385 1.00 0.00 C ATOM 1788 C GLU A 117 5.306 -9.089 7.099 1.00 0.00 C ATOM 1789 O GLU A 117 4.222 -8.885 6.552 1.00 0.00 O ATOM 1790 CB GLU A 117 6.899 -11.011 7.274 1.00 0.00 C ATOM 1791 CG GLU A 117 5.776 -11.852 7.857 1.00 0.00 C ATOM 1792 CD GLU A 117 6.249 -12.765 8.971 1.00 0.00 C ATOM 1793 OE1 GLU A 117 7.441 -13.136 8.969 1.00 0.00 O ATOM 1794 OE2 GLU A 117 5.426 -13.108 9.846 1.00 0.00 O ATOM 0 H GLU A 117 8.436 -9.333 6.312 1.00 0.00 H new ATOM 0 HA GLU A 117 6.000 -10.281 5.464 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.559 -11.654 6.692 1.00 0.00 H new ATOM 0 HB3 GLU A 117 7.493 -10.598 8.089 1.00 0.00 H new ATOM 0 HG2 GLU A 117 4.995 -11.194 8.238 1.00 0.00 H new ATOM 0 HG3 GLU A 117 5.328 -12.453 7.065 1.00 0.00 H new ATOM 1801 N ARG A 118 5.590 -8.660 8.324 1.00 0.00 N ATOM 1802 CA ARG A 118 4.622 -7.908 9.114 1.00 0.00 C ATOM 1803 C ARG A 118 3.886 -6.891 8.247 1.00 0.00 C ATOM 1804 O ARG A 118 2.659 -6.793 8.292 1.00 0.00 O ATOM 1805 CB ARG A 118 5.322 -7.195 10.273 1.00 0.00 C ATOM 1806 CG ARG A 118 4.420 -6.234 11.030 1.00 0.00 C ATOM 1807 CD ARG A 118 5.209 -5.072 11.614 1.00 0.00 C ATOM 1808 NE ARG A 118 4.484 -4.405 12.691 1.00 0.00 N ATOM 1809 CZ ARG A 118 4.504 -4.815 13.955 1.00 0.00 C ATOM 1810 NH1 ARG A 118 5.209 -5.885 14.297 1.00 0.00 N ATOM 1811 NH2 ARG A 118 3.818 -4.155 14.879 1.00 0.00 N ATOM 0 H ARG A 118 6.482 -8.820 8.791 1.00 0.00 H new ATOM 0 HA ARG A 118 3.893 -8.612 9.516 1.00 0.00 H new ATOM 0 HB2 ARG A 118 5.708 -7.941 10.967 1.00 0.00 H new ATOM 0 HB3 ARG A 118 6.180 -6.646 9.886 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.650 -5.852 10.360 1.00 0.00 H new ATOM 0 HG3 ARG A 118 3.909 -6.768 11.831 1.00 0.00 H new ATOM 0 HD2 ARG A 118 6.165 -5.436 11.991 1.00 0.00 H new ATOM 0 HD3 ARG A 118 5.431 -4.352 10.826 1.00 0.00 H new ATOM 0 HE ARG A 118 3.932 -3.579 12.461 1.00 0.00 H new ATOM 0 HH11 ARG A 118 5.737 -6.395 13.589 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.223 -6.198 15.268 1.00 0.00 H new ATOM 0 HH21 ARG A 118 3.274 -3.332 14.620 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.834 -4.471 15.849 1.00 0.00 H new ATOM 1825 N THR A 119 4.643 -6.135 7.458 1.00 0.00 N ATOM 1826 CA THR A 119 4.063 -5.125 6.582 1.00 0.00 C ATOM 1827 C THR A 119 2.917 -5.703 5.759 1.00 0.00 C ATOM 1828 O THR A 119 1.751 -5.381 5.989 1.00 0.00 O ATOM 1829 CB THR A 119 5.119 -4.535 5.628 1.00 0.00 C ATOM 1830 OG1 THR A 119 6.167 -3.915 6.381 1.00 0.00 O ATOM 1831 CG2 THR A 119 4.491 -3.517 4.688 1.00 0.00 C ATOM 0 H THR A 119 5.659 -6.203 7.408 1.00 0.00 H new ATOM 0 HA THR A 119 3.681 -4.332 7.224 1.00 0.00 H new ATOM 0 HB THR A 119 5.533 -5.348 5.032 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.769 -4.604 6.732 1.00 0.00 H new ATOM 0 HG21 THR A 119 5.256 -3.114 4.024 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.714 -4.000 4.095 1.00 0.00 H new ATOM 0 HG23 THR A 119 4.052 -2.706 5.270 1.00 0.00 H new ATOM 1839 N ARG A 120 3.256 -6.558 4.800 1.00 0.00 N ATOM 1840 CA ARG A 120 2.255 -7.180 3.942 1.00 0.00 C ATOM 1841 C ARG A 120 1.119 -7.771 4.773 1.00 0.00 C ATOM 1842 O ARG A 120 -0.055 -7.601 4.444 1.00 0.00 O ATOM 1843 CB ARG A 120 2.896 -8.273 3.084 1.00 0.00 C ATOM 1844 CG ARG A 120 2.253 -8.428 1.716 1.00 0.00 C ATOM 1845 CD ARG A 120 2.801 -9.639 0.977 1.00 0.00 C ATOM 1846 NE ARG A 120 2.784 -9.451 -0.471 1.00 0.00 N ATOM 1847 CZ ARG A 120 2.810 -10.453 -1.343 1.00 0.00 C ATOM 1848 NH1 ARG A 120 2.853 -11.707 -0.915 1.00 0.00 N ATOM 1849 NH2 ARG A 120 2.792 -10.202 -2.645 1.00 0.00 N ATOM 0 H ARG A 120 4.216 -6.836 4.598 1.00 0.00 H new ATOM 0 HA ARG A 120 1.843 -6.410 3.289 1.00 0.00 H new ATOM 0 HB2 ARG A 120 3.955 -8.048 2.955 1.00 0.00 H new ATOM 0 HB3 ARG A 120 2.834 -9.223 3.615 1.00 0.00 H new ATOM 0 HG2 ARG A 120 1.173 -8.527 1.829 1.00 0.00 H new ATOM 0 HG3 ARG A 120 2.430 -7.529 1.125 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.822 -9.832 1.305 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.211 -10.519 1.235 1.00 0.00 H new ATOM 0 HE ARG A 120 2.750 -8.498 -0.833 1.00 0.00 H new ATOM 0 HH11 ARG A 120 2.866 -11.904 0.086 1.00 0.00 H new ATOM 0 HH12 ARG A 120 2.873 -12.475 -1.586 1.00 0.00 H new ATOM 0 HH21 ARG A 120 2.758 -9.239 -2.978 1.00 0.00 H new ATOM 0 HH22 ARG A 120 2.812 -10.972 -3.313 1.00 0.00 H new ATOM 1863 N GLN A 121 1.478 -8.464 5.848 1.00 0.00 N ATOM 1864 CA GLN A 121 0.489 -9.081 6.724 1.00 0.00 C ATOM 1865 C GLN A 121 -0.546 -8.058 7.182 1.00 0.00 C ATOM 1866 O GLN A 121 -1.749 -8.305 7.115 1.00 0.00 O ATOM 1867 CB GLN A 121 1.173 -9.710 7.939 1.00 0.00 C ATOM 1868 CG GLN A 121 2.059 -10.895 7.592 1.00 0.00 C ATOM 1869 CD GLN A 121 2.081 -11.947 8.684 1.00 0.00 C ATOM 1870 OE1 GLN A 121 1.678 -11.689 9.818 1.00 0.00 O ATOM 1871 NE2 GLN A 121 2.553 -13.141 8.346 1.00 0.00 N ATOM 0 H GLN A 121 2.446 -8.613 6.134 1.00 0.00 H new ATOM 0 HA GLN A 121 -0.022 -9.861 6.160 1.00 0.00 H new ATOM 0 HB2 GLN A 121 1.775 -8.952 8.440 1.00 0.00 H new ATOM 0 HB3 GLN A 121 0.411 -10.032 8.648 1.00 0.00 H new ATOM 0 HG2 GLN A 121 1.708 -11.347 6.664 1.00 0.00 H new ATOM 0 HG3 GLN A 121 3.075 -10.544 7.411 1.00 0.00 H new ATOM 0 HE21 GLN A 121 2.877 -13.311 7.394 1.00 0.00 H new ATOM 0 HE22 GLN A 121 2.592 -13.889 9.039 1.00 0.00 H new ATOM 1880 N GLY A 122 -0.068 -6.908 7.647 1.00 0.00 N ATOM 1881 CA GLY A 122 -0.965 -5.865 8.110 1.00 0.00 C ATOM 1882 C GLY A 122 -1.225 -4.812 7.051 1.00 0.00 C ATOM 1883 O GLY A 122 -1.735 -3.733 7.351 1.00 0.00 O ATOM 0 H GLY A 122 0.924 -6.680 7.711 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -1.912 -6.312 8.413 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.539 -5.390 8.994 1.00 0.00 H new ATOM 1887 N TRP A 123 -0.873 -5.125 5.809 1.00 0.00 N ATOM 1888 CA TRP A 123 -1.069 -4.196 4.702 1.00 0.00 C ATOM 1889 C TRP A 123 -2.468 -4.342 4.111 1.00 0.00 C ATOM 1890 O TRP A 123 -3.297 -3.441 4.229 1.00 0.00 O ATOM 1891 CB TRP A 123 -0.017 -4.433 3.617 1.00 0.00 C ATOM 1892 CG TRP A 123 0.385 -3.182 2.897 1.00 0.00 C ATOM 1893 CD1 TRP A 123 1.505 -2.432 3.118 1.00 0.00 C ATOM 1894 CD2 TRP A 123 -0.331 -2.534 1.840 1.00 0.00 C ATOM 1895 NE1 TRP A 123 1.528 -1.357 2.262 1.00 0.00 N ATOM 1896 CE2 TRP A 123 0.413 -1.397 1.467 1.00 0.00 C ATOM 1897 CE3 TRP A 123 -1.528 -2.804 1.170 1.00 0.00 C ATOM 1898 CZ2 TRP A 123 -0.002 -0.534 0.457 1.00 0.00 C ATOM 1899 CZ3 TRP A 123 -1.939 -1.946 0.168 1.00 0.00 C ATOM 1900 CH2 TRP A 123 -1.178 -0.823 -0.182 1.00 0.00 C ATOM 0 H TRP A 123 -0.451 -6.015 5.543 1.00 0.00 H new ATOM 0 HA TRP A 123 -0.961 -3.182 5.088 1.00 0.00 H new ATOM 0 HB2 TRP A 123 0.867 -4.883 4.070 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -0.406 -5.151 2.895 1.00 0.00 H new ATOM 0 HD1 TRP A 123 2.261 -2.652 3.857 1.00 0.00 H new ATOM 0 HE1 TRP A 123 2.257 -0.645 2.225 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.121 -3.668 1.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 0.583 0.333 0.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -2.863 -2.145 -0.355 1.00 0.00 H new ATOM 0 HH2 TRP A 123 -1.526 -0.173 -0.971 1.00 0.00 H new ATOM 1911 N GLN A 124 -2.721 -5.482 3.477 1.00 0.00 N ATOM 1912 CA GLN A 124 -4.020 -5.744 2.867 1.00 0.00 C ATOM 1913 C GLN A 124 -5.074 -6.027 3.933 1.00 0.00 C ATOM 1914 O GLN A 124 -6.244 -5.682 3.769 1.00 0.00 O ATOM 1915 CB GLN A 124 -3.924 -6.926 1.901 1.00 0.00 C ATOM 1916 CG GLN A 124 -2.725 -6.855 0.970 1.00 0.00 C ATOM 1917 CD GLN A 124 -1.476 -7.462 1.579 1.00 0.00 C ATOM 1918 OE1 GLN A 124 -0.405 -6.855 1.561 1.00 0.00 O ATOM 1919 NE2 GLN A 124 -1.608 -8.666 2.122 1.00 0.00 N ATOM 0 H GLN A 124 -2.045 -6.238 3.372 1.00 0.00 H new ATOM 0 HA GLN A 124 -4.320 -4.855 2.313 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -3.873 -7.851 2.476 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -4.835 -6.971 1.304 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -2.960 -7.374 0.041 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.530 -5.814 0.713 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -2.515 -9.132 2.114 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -0.802 -9.125 2.547 1.00 0.00 H new ATOM 1928 N ARG A 125 -4.651 -6.657 5.024 1.00 0.00 N ATOM 1929 CA ARG A 125 -5.559 -6.988 6.115 1.00 0.00 C ATOM 1930 C ARG A 125 -6.472 -5.810 6.439 1.00 0.00 C ATOM 1931 O ARG A 125 -7.566 -5.988 6.975 1.00 0.00 O ATOM 1932 CB ARG A 125 -4.767 -7.390 7.361 1.00 0.00 C ATOM 1933 CG ARG A 125 -4.491 -8.882 7.452 1.00 0.00 C ATOM 1934 CD ARG A 125 -5.653 -9.626 8.090 1.00 0.00 C ATOM 1935 NE ARG A 125 -5.511 -9.721 9.541 1.00 0.00 N ATOM 1936 CZ ARG A 125 -6.118 -10.644 10.280 1.00 0.00 C ATOM 1937 NH1 ARG A 125 -6.903 -11.546 9.707 1.00 0.00 N ATOM 1938 NH2 ARG A 125 -5.939 -10.666 11.594 1.00 0.00 N ATOM 0 H ARG A 125 -3.685 -6.948 5.176 1.00 0.00 H new ATOM 0 HA ARG A 125 -6.177 -7.828 5.798 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -3.819 -6.853 7.367 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -5.317 -7.076 8.248 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -4.306 -9.280 6.454 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.586 -9.051 8.035 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -6.586 -9.116 7.850 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -5.719 -10.628 7.666 1.00 0.00 H new ATOM 0 HE ARG A 125 -4.913 -9.042 10.013 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -7.042 -11.533 8.697 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -7.368 -12.253 10.277 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -5.335 -9.974 12.038 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -6.405 -11.375 12.160 1.00 0.00 H new ATOM 1952 N TYR A 126 -6.016 -4.606 6.109 1.00 0.00 N ATOM 1953 CA TYR A 126 -6.791 -3.398 6.367 1.00 0.00 C ATOM 1954 C TYR A 126 -7.113 -2.670 5.066 1.00 0.00 C ATOM 1955 O TYR A 126 -8.197 -2.107 4.908 1.00 0.00 O ATOM 1956 CB TYR A 126 -6.026 -2.468 7.309 1.00 0.00 C ATOM 1957 CG TYR A 126 -5.152 -3.199 8.304 1.00 0.00 C ATOM 1958 CD1 TYR A 126 -5.595 -4.359 8.926 1.00 0.00 C ATOM 1959 CD2 TYR A 126 -3.883 -2.728 8.621 1.00 0.00 C ATOM 1960 CE1 TYR A 126 -4.800 -5.029 9.836 1.00 0.00 C ATOM 1961 CE2 TYR A 126 -3.081 -3.393 9.528 1.00 0.00 C ATOM 1962 CZ TYR A 126 -3.544 -4.542 10.134 1.00 0.00 C ATOM 1963 OH TYR A 126 -2.749 -5.208 11.038 1.00 0.00 O ATOM 0 H TYR A 126 -5.114 -4.441 5.662 1.00 0.00 H new ATOM 0 HA TYR A 126 -7.728 -3.692 6.840 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -5.405 -1.796 6.717 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -6.739 -1.847 7.852 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -6.577 -4.744 8.695 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.518 -1.827 8.150 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -5.160 -5.929 10.312 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -2.097 -3.015 9.761 1.00 0.00 H new ATOM 0 HH TYR A 126 -1.896 -4.735 11.134 1.00 0.00 H new ATOM 1973 N TYR A 127 -6.164 -2.685 4.136 1.00 0.00 N ATOM 1974 CA TYR A 127 -6.345 -2.025 2.849 1.00 0.00 C ATOM 1975 C TYR A 127 -7.493 -2.658 2.068 1.00 0.00 C ATOM 1976 O TYR A 127 -8.524 -2.026 1.836 1.00 0.00 O ATOM 1977 CB TYR A 127 -5.055 -2.098 2.030 1.00 0.00 C ATOM 1978 CG TYR A 127 -4.270 -0.806 2.020 1.00 0.00 C ATOM 1979 CD1 TYR A 127 -3.902 -0.185 3.206 1.00 0.00 C ATOM 1980 CD2 TYR A 127 -3.897 -0.207 0.823 1.00 0.00 C ATOM 1981 CE1 TYR A 127 -3.185 0.996 3.202 1.00 0.00 C ATOM 1982 CE2 TYR A 127 -3.179 0.974 0.809 1.00 0.00 C ATOM 1983 CZ TYR A 127 -2.826 1.571 2.001 1.00 0.00 C ATOM 1984 OH TYR A 127 -2.111 2.747 1.992 1.00 0.00 O ATOM 0 H TYR A 127 -5.262 -3.147 4.250 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.591 -0.980 3.037 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -4.425 -2.893 2.430 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.301 -2.372 1.004 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -4.181 -0.633 4.148 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -4.173 -0.672 -0.112 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -2.907 1.466 4.134 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -2.896 1.427 -0.130 1.00 0.00 H new ATOM 0 HH TYR A 127 -1.292 2.636 2.519 1.00 0.00 H new ATOM 1994 N PHE A 128 -7.307 -3.911 1.666 1.00 0.00 N ATOM 1995 CA PHE A 128 -8.326 -4.631 0.912 1.00 0.00 C ATOM 1996 C PHE A 128 -9.226 -5.436 1.844 1.00 0.00 C ATOM 1997 O PHE A 128 -10.414 -5.146 1.978 1.00 0.00 O ATOM 1998 CB PHE A 128 -7.670 -5.561 -0.111 1.00 0.00 C ATOM 1999 CG PHE A 128 -6.465 -4.964 -0.779 1.00 0.00 C ATOM 2000 CD1 PHE A 128 -6.348 -3.591 -0.928 1.00 0.00 C ATOM 2001 CD2 PHE A 128 -5.449 -5.775 -1.259 1.00 0.00 C ATOM 2002 CE1 PHE A 128 -5.240 -3.038 -1.542 1.00 0.00 C ATOM 2003 CE2 PHE A 128 -4.339 -5.228 -1.873 1.00 0.00 C ATOM 2004 CZ PHE A 128 -4.235 -3.858 -2.016 1.00 0.00 C ATOM 0 H PHE A 128 -6.460 -4.449 1.850 1.00 0.00 H new ATOM 0 HA PHE A 128 -8.940 -3.899 0.387 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.379 -6.486 0.386 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.404 -5.825 -0.872 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -7.132 -2.946 -0.560 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -5.526 -6.847 -1.152 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -5.160 -1.966 -1.651 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -3.553 -5.871 -2.241 1.00 0.00 H new ATOM 0 HZ PHE A 128 -3.369 -3.429 -2.498 1.00 0.00 H new ATOM 2014 N GLU A 129 -8.650 -6.448 2.486 1.00 0.00 N ATOM 2015 CA GLU A 129 -9.401 -7.295 3.404 1.00 0.00 C ATOM 2016 C GLU A 129 -10.460 -6.487 4.149 1.00 0.00 C ATOM 2017 O GLU A 129 -11.523 -7.002 4.491 1.00 0.00 O ATOM 2018 CB GLU A 129 -8.456 -7.963 4.406 1.00 0.00 C ATOM 2019 CG GLU A 129 -7.675 -9.128 3.821 1.00 0.00 C ATOM 2020 CD GLU A 129 -7.330 -10.178 4.860 1.00 0.00 C ATOM 2021 OE1 GLU A 129 -8.253 -10.643 5.561 1.00 0.00 O ATOM 2022 OE2 GLU A 129 -6.139 -10.535 4.971 1.00 0.00 O ATOM 0 H GLU A 129 -7.667 -6.701 2.387 1.00 0.00 H new ATOM 0 HA GLU A 129 -9.902 -8.065 2.818 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -7.755 -7.219 4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -9.035 -8.316 5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -8.259 -9.589 3.024 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -6.757 -8.754 3.368 1.00 0.00 H new ATOM 2029 N GLY A 130 -10.159 -5.216 4.397 1.00 0.00 N ATOM 2030 CA GLY A 130 -11.093 -4.356 5.100 1.00 0.00 C ATOM 2031 C GLY A 130 -12.182 -3.819 4.193 1.00 0.00 C ATOM 2032 O GLY A 130 -13.351 -4.179 4.335 1.00 0.00 O ATOM 0 H GLY A 130 -9.285 -4.767 4.124 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -11.548 -4.912 5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -10.550 -3.522 5.544 1.00 0.00 H new ATOM 2036 N ILE A 131 -11.799 -2.955 3.259 1.00 0.00 N ATOM 2037 CA ILE A 131 -12.753 -2.367 2.326 1.00 0.00 C ATOM 2038 C ILE A 131 -13.638 -3.438 1.697 1.00 0.00 C ATOM 2039 O ILE A 131 -14.851 -3.266 1.580 1.00 0.00 O ATOM 2040 CB ILE A 131 -12.037 -1.587 1.207 1.00 0.00 C ATOM 2041 CG1 ILE A 131 -11.196 -0.455 1.802 1.00 0.00 C ATOM 2042 CG2 ILE A 131 -13.050 -1.035 0.215 1.00 0.00 C ATOM 2043 CD1 ILE A 131 -10.183 0.116 0.836 1.00 0.00 C ATOM 0 H ILE A 131 -10.836 -2.647 3.128 1.00 0.00 H new ATOM 0 HA ILE A 131 -13.373 -1.678 2.900 1.00 0.00 H new ATOM 0 HB ILE A 131 -11.372 -2.269 0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -11.859 0.343 2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -10.675 -0.825 2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -12.529 -0.486 -0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -13.611 -1.858 -0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -13.737 -0.365 0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -9.623 0.913 1.325 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -9.496 -0.670 0.522 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -10.698 0.517 -0.037 1.00 0.00 H new ATOM 2055 N LYS A 132 -13.023 -4.545 1.295 1.00 0.00 N ATOM 2056 CA LYS A 132 -13.754 -5.647 0.681 1.00 0.00 C ATOM 2057 C LYS A 132 -14.942 -6.059 1.544 1.00 0.00 C ATOM 2058 O LYS A 132 -15.939 -6.573 1.037 1.00 0.00 O ATOM 2059 CB LYS A 132 -12.826 -6.845 0.467 1.00 0.00 C ATOM 2060 CG LYS A 132 -11.980 -6.742 -0.791 1.00 0.00 C ATOM 2061 CD LYS A 132 -10.974 -7.877 -0.880 1.00 0.00 C ATOM 2062 CE LYS A 132 -10.668 -8.238 -2.326 1.00 0.00 C ATOM 2063 NZ LYS A 132 -11.590 -9.288 -2.842 1.00 0.00 N ATOM 0 H LYS A 132 -12.019 -4.703 1.384 1.00 0.00 H new ATOM 0 HA LYS A 132 -14.129 -5.308 -0.285 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -12.168 -6.943 1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -13.425 -7.754 0.418 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -12.627 -6.758 -1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -11.454 -5.787 -0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -10.053 -7.589 -0.373 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -11.364 -8.752 -0.360 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -10.748 -7.346 -2.948 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -9.639 -8.589 -2.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -11.038 -10.115 -3.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -12.250 -9.571 -2.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -12.127 -8.912 -3.650 1.00 0.00 H new ATOM 2077 N GLN A 133 -14.830 -5.829 2.848 1.00 0.00 N ATOM 2078 CA GLN A 133 -15.896 -6.176 3.779 1.00 0.00 C ATOM 2079 C GLN A 133 -16.725 -4.947 4.140 1.00 0.00 C ATOM 2080 O GLN A 133 -17.945 -4.936 3.971 1.00 0.00 O ATOM 2081 CB GLN A 133 -15.312 -6.801 5.047 1.00 0.00 C ATOM 2082 CG GLN A 133 -14.298 -7.900 4.772 1.00 0.00 C ATOM 2083 CD GLN A 133 -14.934 -9.274 4.693 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -15.046 -9.977 5.697 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -15.354 -9.664 3.495 1.00 0.00 N ATOM 0 H GLN A 133 -14.011 -5.404 3.283 1.00 0.00 H new ATOM 0 HA GLN A 133 -16.547 -6.901 3.291 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -14.837 -6.020 5.641 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -16.124 -7.210 5.648 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -13.783 -7.688 3.835 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -13.543 -7.898 5.558 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -15.241 -9.048 2.690 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -15.790 -10.579 3.380 1.00 0.00 H new ATOM 2094 N THR A 134 -16.055 -3.913 4.638 1.00 0.00 N ATOM 2095 CA THR A 134 -16.730 -2.680 5.024 1.00 0.00 C ATOM 2096 C THR A 134 -17.618 -2.163 3.898 1.00 0.00 C ATOM 2097 O THR A 134 -18.819 -1.966 4.082 1.00 0.00 O ATOM 2098 CB THR A 134 -15.719 -1.583 5.410 1.00 0.00 C ATOM 2099 OG1 THR A 134 -14.983 -1.983 6.571 1.00 0.00 O ATOM 2100 CG2 THR A 134 -16.428 -0.265 5.681 1.00 0.00 C ATOM 0 H THR A 134 -15.045 -3.905 4.784 1.00 0.00 H new ATOM 0 HA THR A 134 -17.348 -2.916 5.891 1.00 0.00 H new ATOM 0 HB THR A 134 -15.032 -1.442 4.576 1.00 0.00 H new ATOM 0 HG1 THR A 134 -15.306 -1.485 7.351 1.00 0.00 H new ATOM 0 HG21 THR A 134 -15.694 0.494 5.952 1.00 0.00 H new ATOM 0 HG22 THR A 134 -16.964 0.051 4.786 1.00 0.00 H new ATOM 0 HG23 THR A 134 -17.135 -0.394 6.500 1.00 0.00 H new ATOM 2108 N PHE A 135 -17.020 -1.946 2.731 1.00 0.00 N ATOM 2109 CA PHE A 135 -17.757 -1.451 1.575 1.00 0.00 C ATOM 2110 C PHE A 135 -18.384 -2.604 0.796 1.00 0.00 C ATOM 2111 O PHE A 135 -19.371 -2.423 0.084 1.00 0.00 O ATOM 2112 CB PHE A 135 -16.832 -0.647 0.659 1.00 0.00 C ATOM 2113 CG PHE A 135 -16.319 0.618 1.287 1.00 0.00 C ATOM 2114 CD1 PHE A 135 -15.556 0.572 2.443 1.00 0.00 C ATOM 2115 CD2 PHE A 135 -16.599 1.851 0.722 1.00 0.00 C ATOM 2116 CE1 PHE A 135 -15.083 1.734 3.023 1.00 0.00 C ATOM 2117 CE2 PHE A 135 -16.128 3.016 1.297 1.00 0.00 C ATOM 2118 CZ PHE A 135 -15.369 2.957 2.449 1.00 0.00 C ATOM 0 H PHE A 135 -16.027 -2.105 2.561 1.00 0.00 H new ATOM 0 HA PHE A 135 -18.555 -0.801 1.935 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -15.985 -1.271 0.373 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -17.368 -0.397 -0.257 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -15.329 -0.382 2.895 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -17.193 1.903 -0.179 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -14.490 1.686 3.924 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -16.353 3.971 0.846 1.00 0.00 H new ATOM 0 HZ PHE A 135 -15.000 3.866 2.900 1.00 0.00 H new ATOM 2128 N GLY A 136 -17.803 -3.792 0.938 1.00 0.00 N ATOM 2129 CA GLY A 136 -18.317 -4.957 0.242 1.00 0.00 C ATOM 2130 C GLY A 136 -17.787 -5.068 -1.174 1.00 0.00 C ATOM 2131 O GLY A 136 -18.515 -5.453 -2.089 1.00 0.00 O ATOM 0 H GLY A 136 -16.986 -3.968 1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -18.050 -5.856 0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -19.406 -4.910 0.216 1.00 0.00 H new ATOM 2135 N TYR A 137 -16.515 -4.728 -1.356 1.00 0.00 N ATOM 2136 CA TYR A 137 -15.889 -4.787 -2.671 1.00 0.00 C ATOM 2137 C TYR A 137 -15.115 -6.090 -2.847 1.00 0.00 C ATOM 2138 O TYR A 137 -14.205 -6.178 -3.672 1.00 0.00 O ATOM 2139 CB TYR A 137 -14.953 -3.594 -2.868 1.00 0.00 C ATOM 2140 CG TYR A 137 -15.652 -2.256 -2.786 1.00 0.00 C ATOM 2141 CD1 TYR A 137 -17.039 -2.175 -2.776 1.00 0.00 C ATOM 2142 CD2 TYR A 137 -14.927 -1.073 -2.722 1.00 0.00 C ATOM 2143 CE1 TYR A 137 -17.683 -0.954 -2.702 1.00 0.00 C ATOM 2144 CE2 TYR A 137 -15.562 0.152 -2.647 1.00 0.00 C ATOM 2145 CZ TYR A 137 -16.940 0.206 -2.638 1.00 0.00 C ATOM 2146 OH TYR A 137 -17.576 1.424 -2.564 1.00 0.00 O ATOM 0 H TYR A 137 -15.898 -4.409 -0.609 1.00 0.00 H new ATOM 0 HA TYR A 137 -16.677 -4.749 -3.423 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -14.167 -3.631 -2.113 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -14.466 -3.681 -3.839 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -17.624 -3.081 -2.827 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -13.848 -1.111 -2.731 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -18.762 -0.909 -2.694 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -14.982 1.062 -2.596 1.00 0.00 H new ATOM 0 HH TYR A 137 -18.251 1.398 -1.854 1.00 0.00 H new ATOM 2156 N GLY A 138 -15.483 -7.101 -2.066 1.00 0.00 N ATOM 2157 CA GLY A 138 -14.814 -8.386 -2.151 1.00 0.00 C ATOM 2158 C GLY A 138 -15.704 -9.465 -2.736 1.00 0.00 C ATOM 2159 O GLY A 138 -16.929 -9.380 -2.655 1.00 0.00 O ATOM 0 H GLY A 138 -16.233 -7.053 -1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -13.918 -8.286 -2.764 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -14.487 -8.689 -1.156 1.00 0.00 H new ATOM 2163 N ALA A 139 -15.086 -10.481 -3.329 1.00 0.00 N ATOM 2164 CA ALA A 139 -15.830 -11.581 -3.930 1.00 0.00 C ATOM 2165 C ALA A 139 -15.786 -12.822 -3.045 1.00 0.00 C ATOM 2166 O ALA A 139 -14.809 -13.055 -2.333 1.00 0.00 O ATOM 2167 CB ALA A 139 -15.278 -11.898 -5.313 1.00 0.00 C ATOM 0 H ALA A 139 -14.072 -10.565 -3.406 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.871 -11.272 -4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -15.843 -12.721 -5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -15.367 -11.018 -5.951 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.229 -12.182 -5.230 1.00 0.00 H new