USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 460 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0147) USER MOD Single : A 7 HIS : no HD1:sc= -2.18! C(o=-2.2!,f=-2.8!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 175:sc= 0.121 (180deg=0.113) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.214! K(o=-0.21!,f=-0.8) USER MOD Single : A 30 MET CE :methyl 149:sc= -1.09 (180deg=-1.96!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.00104 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -98:sc= -0.275 (180deg=-1.22) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.0074) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -174:sc= 0 (180deg=-0.05) USER MOD Single : A 56 LYS NZ :NH3+ 139:sc= -0.372 (180deg=-1.32!) USER MOD Single : A 57 ASN : amide:sc= -4.03! C(o=-4!,f=-2.5!) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.914 -10.732 -6.063 1.00 0.00 N ATOM 2 CA MET A 1 -1.807 -10.400 -5.126 1.00 0.00 C ATOM 3 C MET A 1 -2.295 -9.605 -3.921 1.00 0.00 C ATOM 4 O MET A 1 -3.125 -8.705 -4.044 1.00 0.00 O ATOM 5 CB MET A 1 -0.722 -9.624 -5.871 1.00 0.00 C ATOM 6 CG MET A 1 0.050 -10.469 -6.870 1.00 0.00 C ATOM 7 SD MET A 1 1.584 -9.686 -7.402 1.00 0.00 S ATOM 8 CE MET A 1 2.479 -11.098 -8.046 1.00 0.00 C ATOM 0 H1 MET A 1 -2.537 -11.273 -6.868 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.629 -11.302 -5.567 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.350 -9.854 -6.410 1.00 0.00 H new ATOM 0 HA MET A 1 -1.396 -11.336 -4.747 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.181 -8.785 -6.395 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.024 -9.204 -5.146 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.277 -11.437 -6.423 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.577 -10.659 -7.741 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.452 -10.775 -8.415 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.617 -11.834 -7.254 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.913 -11.546 -8.862 1.00 0.00 H new ATOM 20 N GLU A 2 -1.787 -9.976 -2.752 1.00 0.00 N ATOM 21 CA GLU A 2 -2.179 -9.305 -1.523 1.00 0.00 C ATOM 22 C GLU A 2 -0.973 -8.974 -0.648 1.00 0.00 C ATOM 23 O GLU A 2 0.000 -9.729 -0.582 1.00 0.00 O ATOM 24 CB GLU A 2 -3.195 -10.148 -0.747 1.00 0.00 C ATOM 25 CG GLU A 2 -2.751 -11.583 -0.511 1.00 0.00 C ATOM 26 CD GLU A 2 -3.600 -12.589 -1.265 1.00 0.00 C ATOM 27 OE1 GLU A 2 -4.767 -12.795 -0.870 1.00 0.00 O ATOM 28 OE2 GLU A 2 -3.098 -13.170 -2.250 1.00 0.00 O ATOM 0 H GLU A 2 -1.110 -10.730 -2.631 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.649 -8.362 -1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.386 -9.674 0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.139 -10.155 -1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.710 -11.692 -0.815 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.796 -11.802 0.556 1.00 0.00 H new ATOM 35 N ALA A 3 -1.068 -7.835 0.026 1.00 0.00 N ATOM 36 CA ALA A 3 -0.049 -7.315 0.920 1.00 0.00 C ATOM 37 C ALA A 3 -0.722 -6.655 2.123 1.00 0.00 C ATOM 38 O ALA A 3 -1.710 -5.940 1.958 1.00 0.00 O ATOM 39 CB ALA A 3 0.831 -6.318 0.181 1.00 0.00 C ATOM 0 H ALA A 3 -1.886 -7.229 -0.039 1.00 0.00 H new ATOM 0 HA ALA A 3 0.582 -8.131 1.272 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.593 -5.933 0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.313 -6.813 -0.662 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.219 -5.493 -0.184 1.00 0.00 H new ATOM 45 N ILE A 4 -0.169 -6.833 3.315 1.00 0.00 N ATOM 46 CA ILE A 4 -0.729 -6.208 4.510 1.00 0.00 C ATOM 47 C ILE A 4 0.106 -5.007 4.917 1.00 0.00 C ATOM 48 O ILE A 4 1.283 -4.923 4.564 1.00 0.00 O ATOM 49 CB ILE A 4 -0.811 -7.217 5.679 1.00 0.00 C ATOM 50 CG1 ILE A 4 -1.634 -6.633 6.846 1.00 0.00 C ATOM 51 CG2 ILE A 4 0.585 -7.641 6.128 1.00 0.00 C ATOM 52 CD1 ILE A 4 -0.830 -5.896 7.909 1.00 0.00 C ATOM 0 H ILE A 4 0.662 -7.401 3.482 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.740 -5.876 4.274 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.326 -8.111 5.329 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.377 -5.948 6.437 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.179 -7.446 7.326 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.503 -8.351 6.951 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.108 -8.111 5.295 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.143 -6.765 6.459 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.503 -5.526 8.682 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.105 -6.577 8.354 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.306 -5.057 7.452 1.00 0.00 H new ATOM 64 N ALA A 5 -0.477 -4.100 5.692 1.00 0.00 N ATOM 65 CA ALA A 5 0.261 -2.922 6.117 1.00 0.00 C ATOM 66 C ALA A 5 -0.007 -2.547 7.548 1.00 0.00 C ATOM 67 O ALA A 5 -1.017 -1.893 7.822 1.00 0.00 O ATOM 68 CB ALA A 5 -0.128 -1.757 5.228 1.00 0.00 C ATOM 0 H ALA A 5 -1.437 -4.156 6.032 1.00 0.00 H new ATOM 0 HA ALA A 5 1.322 -3.156 6.035 1.00 0.00 H new ATOM 0 HB1 ALA A 5 0.419 -0.866 5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 5 0.116 -1.992 4.192 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.199 -1.574 5.316 1.00 0.00 H new ATOM 74 N LYS A 6 0.904 -2.854 8.475 1.00 0.00 N ATOM 75 CA LYS A 6 0.627 -2.399 9.818 1.00 0.00 C ATOM 76 C LYS A 6 1.509 -1.225 10.170 1.00 0.00 C ATOM 77 O LYS A 6 2.540 -1.360 10.826 1.00 0.00 O ATOM 78 CB LYS A 6 0.906 -3.548 10.799 1.00 0.00 C ATOM 79 CG LYS A 6 2.230 -4.265 10.535 1.00 0.00 C ATOM 80 CD LYS A 6 3.187 -4.162 11.715 1.00 0.00 C ATOM 81 CE LYS A 6 3.344 -5.495 12.431 1.00 0.00 C ATOM 82 NZ LYS A 6 2.057 -5.966 13.013 1.00 0.00 N ATOM 0 H LYS A 6 1.770 -3.374 8.331 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.416 -2.088 9.881 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.911 -3.155 11.816 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.092 -4.271 10.741 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.035 -5.315 10.318 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.701 -3.839 9.649 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.161 -3.820 11.365 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.820 -3.413 12.417 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.721 -6.241 11.731 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.087 -5.397 13.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.224 -6.823 13.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.659 -5.223 13.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.388 -6.182 12.247 1.00 0.00 H new ATOM 96 N HIS A 7 0.984 -0.061 9.863 1.00 0.00 N ATOM 97 CA HIS A 7 1.538 1.214 10.260 1.00 0.00 C ATOM 98 C HIS A 7 0.462 2.220 9.861 1.00 0.00 C ATOM 99 O HIS A 7 0.130 2.251 8.676 1.00 0.00 O ATOM 100 CB HIS A 7 2.895 1.469 9.621 1.00 0.00 C ATOM 101 CG HIS A 7 4.040 1.059 10.497 1.00 0.00 C ATOM 102 ND1 HIS A 7 3.900 0.803 11.846 1.00 0.00 N ATOM 103 CD2 HIS A 7 5.348 0.861 10.215 1.00 0.00 C ATOM 104 CE1 HIS A 7 5.070 0.467 12.351 1.00 0.00 C ATOM 105 NE2 HIS A 7 5.967 0.493 11.383 1.00 0.00 N ATOM 0 H HIS A 7 0.131 0.028 9.311 1.00 0.00 H new ATOM 0 HA HIS A 7 1.757 1.275 11.326 1.00 0.00 H new ATOM 0 HB2 HIS A 7 2.954 0.927 8.677 1.00 0.00 H new ATOM 0 HB3 HIS A 7 2.986 2.529 9.385 1.00 0.00 H new ATOM 0 HD2 HIS A 7 5.818 0.972 9.249 1.00 0.00 H new ATOM 0 HE1 HIS A 7 5.262 0.213 13.383 1.00 0.00 H new ATOM 0 HE2 HIS A 7 6.958 0.275 11.486 1.00 0.00 H new ATOM 114 N ASP A 8 -0.067 3.080 10.716 1.00 0.00 N ATOM 115 CA ASP A 8 -1.035 4.041 10.187 1.00 0.00 C ATOM 116 C ASP A 8 -0.275 4.924 9.201 1.00 0.00 C ATOM 117 O ASP A 8 0.936 5.108 9.336 1.00 0.00 O ATOM 118 CB ASP A 8 -1.684 4.906 11.268 1.00 0.00 C ATOM 119 CG ASP A 8 -2.199 4.089 12.433 1.00 0.00 C ATOM 120 OD1 ASP A 8 -2.934 3.111 12.189 1.00 0.00 O ATOM 121 OD2 ASP A 8 -1.866 4.425 13.588 1.00 0.00 O ATOM 0 H ASP A 8 0.135 3.139 11.714 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.854 3.498 9.716 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.958 5.633 11.631 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.508 5.470 10.831 1.00 0.00 H new ATOM 126 N PHE A 9 -0.982 5.514 8.248 1.00 0.00 N ATOM 127 CA PHE A 9 -0.317 6.408 7.304 1.00 0.00 C ATOM 128 C PHE A 9 -1.290 7.243 6.492 1.00 0.00 C ATOM 129 O PHE A 9 -2.432 6.865 6.224 1.00 0.00 O ATOM 130 CB PHE A 9 0.581 5.643 6.328 1.00 0.00 C ATOM 131 CG PHE A 9 1.580 6.517 5.620 1.00 0.00 C ATOM 132 CD1 PHE A 9 2.713 6.968 6.277 1.00 0.00 C ATOM 133 CD2 PHE A 9 1.394 6.877 4.294 1.00 0.00 C ATOM 134 CE1 PHE A 9 3.641 7.760 5.631 1.00 0.00 C ATOM 135 CE2 PHE A 9 2.318 7.672 3.641 1.00 0.00 C ATOM 136 CZ PHE A 9 3.443 8.113 4.311 1.00 0.00 C ATOM 0 H PHE A 9 -1.985 5.398 8.107 1.00 0.00 H new ATOM 0 HA PHE A 9 0.285 7.071 7.925 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.114 4.863 6.872 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.044 5.145 5.587 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.873 6.696 7.310 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.518 6.533 3.765 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.520 8.103 6.157 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.161 7.948 2.609 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.167 8.733 3.803 1.00 0.00 H new ATOM 146 N SER A 10 -0.720 8.337 6.007 1.00 0.00 N ATOM 147 CA SER A 10 -1.456 9.233 5.140 1.00 0.00 C ATOM 148 C SER A 10 -0.560 9.799 4.046 1.00 0.00 C ATOM 149 O SER A 10 0.156 10.778 4.260 1.00 0.00 O ATOM 150 CB SER A 10 -2.092 10.371 5.943 1.00 0.00 C ATOM 151 OG SER A 10 -3.492 10.429 5.726 1.00 0.00 O ATOM 0 H SER A 10 0.241 8.620 6.199 1.00 0.00 H new ATOM 0 HA SER A 10 -2.250 8.655 4.668 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.891 10.227 7.005 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.637 11.320 5.658 1.00 0.00 H new ATOM 0 HG SER A 10 -3.874 11.163 6.251 1.00 0.00 H new ATOM 157 N ALA A 11 -0.678 9.205 2.859 1.00 0.00 N ATOM 158 CA ALA A 11 0.077 9.591 1.664 1.00 0.00 C ATOM 159 C ALA A 11 0.721 10.970 1.728 1.00 0.00 C ATOM 160 O ALA A 11 0.201 11.921 2.312 1.00 0.00 O ATOM 161 CB ALA A 11 -0.877 9.570 0.492 1.00 0.00 C ATOM 0 H ALA A 11 -1.315 8.425 2.696 1.00 0.00 H new ATOM 0 HA ALA A 11 0.897 8.879 1.571 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.344 9.854 -0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.286 8.567 0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.689 10.275 0.671 1.00 0.00 H new ATOM 167 N THR A 12 1.887 11.029 1.078 1.00 0.00 N ATOM 168 CA THR A 12 2.696 12.232 0.993 1.00 0.00 C ATOM 169 C THR A 12 2.544 12.876 -0.403 1.00 0.00 C ATOM 170 O THR A 12 2.980 14.004 -0.632 1.00 0.00 O ATOM 171 CB THR A 12 4.166 11.882 1.346 1.00 0.00 C ATOM 172 OG1 THR A 12 4.453 12.244 2.686 1.00 0.00 O ATOM 173 CG2 THR A 12 5.216 12.534 0.467 1.00 0.00 C ATOM 0 H THR A 12 2.294 10.229 0.593 1.00 0.00 H new ATOM 0 HA THR A 12 2.355 12.975 1.714 1.00 0.00 H new ATOM 0 HB THR A 12 4.228 10.806 1.183 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.383 12.016 2.895 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.208 12.226 0.796 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.065 12.228 -0.568 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.130 13.618 0.541 1.00 0.00 H new ATOM 181 N ALA A 13 1.874 12.153 -1.303 1.00 0.00 N ATOM 182 CA ALA A 13 1.598 12.647 -2.659 1.00 0.00 C ATOM 183 C ALA A 13 0.124 12.387 -2.980 1.00 0.00 C ATOM 184 O ALA A 13 -0.474 11.486 -2.400 1.00 0.00 O ATOM 185 CB ALA A 13 2.503 11.959 -3.672 1.00 0.00 C ATOM 0 H ALA A 13 1.510 11.218 -1.118 1.00 0.00 H new ATOM 0 HA ALA A 13 1.800 13.717 -2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.285 12.337 -4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.545 12.163 -3.426 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.328 10.884 -3.645 1.00 0.00 H new ATOM 191 N ASP A 14 -0.484 13.156 -3.892 1.00 0.00 N ATOM 192 CA ASP A 14 -1.891 12.986 -4.259 1.00 0.00 C ATOM 193 C ASP A 14 -2.180 11.604 -4.816 1.00 0.00 C ATOM 194 O ASP A 14 -3.195 10.987 -4.491 1.00 0.00 O ATOM 195 CB ASP A 14 -2.301 13.981 -5.346 1.00 0.00 C ATOM 196 CG ASP A 14 -2.311 15.416 -4.863 1.00 0.00 C ATOM 197 OD1 ASP A 14 -2.547 15.637 -3.658 1.00 0.00 O ATOM 198 OD2 ASP A 14 -2.088 16.320 -5.695 1.00 0.00 O ATOM 0 H ASP A 14 -0.014 13.910 -4.393 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.451 13.146 -3.338 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.616 13.892 -6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.294 13.720 -5.713 1.00 0.00 H new ATOM 203 N ASP A 15 -1.239 11.091 -5.599 1.00 0.00 N ATOM 204 CA ASP A 15 -1.362 9.761 -6.173 1.00 0.00 C ATOM 205 C ASP A 15 -0.823 8.722 -5.202 1.00 0.00 C ATOM 206 O ASP A 15 -0.333 7.670 -5.613 1.00 0.00 O ATOM 207 CB ASP A 15 -0.602 9.688 -7.499 1.00 0.00 C ATOM 208 CG ASP A 15 0.822 10.198 -7.378 1.00 0.00 C ATOM 209 OD1 ASP A 15 1.522 9.782 -6.431 1.00 0.00 O ATOM 210 OD2 ASP A 15 1.236 11.015 -8.227 1.00 0.00 O ATOM 0 H ASP A 15 -0.380 11.580 -5.851 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.416 9.554 -6.361 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.587 8.656 -7.850 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.132 10.273 -8.251 1.00 0.00 H new ATOM 215 N GLU A 16 -0.958 9.002 -3.911 1.00 0.00 N ATOM 216 CA GLU A 16 -0.526 8.089 -2.876 1.00 0.00 C ATOM 217 C GLU A 16 -1.719 7.730 -1.995 1.00 0.00 C ATOM 218 O GLU A 16 -2.352 8.595 -1.390 1.00 0.00 O ATOM 219 CB GLU A 16 0.603 8.713 -2.053 1.00 0.00 C ATOM 220 CG GLU A 16 1.957 8.623 -2.728 1.00 0.00 C ATOM 221 CD GLU A 16 3.082 8.328 -1.758 1.00 0.00 C ATOM 222 OE1 GLU A 16 2.790 7.921 -0.615 1.00 0.00 O ATOM 223 OE2 GLU A 16 4.258 8.505 -2.142 1.00 0.00 O ATOM 0 H GLU A 16 -1.369 9.867 -3.560 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.137 7.177 -3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.369 9.760 -1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.654 8.217 -1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.927 7.843 -3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.164 9.562 -3.242 1.00 0.00 H new ATOM 230 N LEU A 17 -2.047 6.454 -1.981 1.00 0.00 N ATOM 231 CA LEU A 17 -3.192 5.957 -1.225 1.00 0.00 C ATOM 232 C LEU A 17 -2.894 5.817 0.273 1.00 0.00 C ATOM 233 O LEU A 17 -1.961 5.124 0.664 1.00 0.00 O ATOM 234 CB LEU A 17 -3.557 4.563 -1.727 1.00 0.00 C ATOM 235 CG LEU A 17 -5.050 4.245 -1.666 1.00 0.00 C ATOM 236 CD1 LEU A 17 -5.807 4.999 -2.750 1.00 0.00 C ATOM 237 CD2 LEU A 17 -5.281 2.753 -1.797 1.00 0.00 C ATOM 0 H LEU A 17 -1.535 5.732 -2.488 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.996 6.679 -1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.217 4.460 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.015 3.824 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.429 4.570 -0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.868 4.758 -2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.670 6.071 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.426 4.709 -3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.350 2.545 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.884 2.406 -2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.775 2.234 -0.983 1.00 0.00 H new ATOM 249 N SER A 18 -3.750 6.404 1.103 1.00 0.00 N ATOM 250 CA SER A 18 -3.606 6.297 2.556 1.00 0.00 C ATOM 251 C SER A 18 -4.290 5.032 3.068 1.00 0.00 C ATOM 252 O SER A 18 -5.010 4.359 2.331 1.00 0.00 O ATOM 253 CB SER A 18 -4.205 7.526 3.245 1.00 0.00 C ATOM 254 OG SER A 18 -5.553 7.724 2.857 1.00 0.00 O ATOM 0 H SER A 18 -4.550 6.958 0.798 1.00 0.00 H new ATOM 0 HA SER A 18 -2.543 6.244 2.791 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.149 7.403 4.327 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.618 8.409 2.994 1.00 0.00 H new ATOM 0 HG SER A 18 -5.912 8.514 3.313 1.00 0.00 H new ATOM 260 N PHE A 19 -4.014 4.692 4.332 1.00 0.00 N ATOM 261 CA PHE A 19 -4.583 3.494 4.951 1.00 0.00 C ATOM 262 C PHE A 19 -4.357 3.473 6.462 1.00 0.00 C ATOM 263 O PHE A 19 -3.806 4.419 7.037 1.00 0.00 O ATOM 264 CB PHE A 19 -4.023 2.225 4.308 1.00 0.00 C ATOM 265 CG PHE A 19 -2.536 2.074 4.459 1.00 0.00 C ATOM 266 CD1 PHE A 19 -1.985 1.677 5.667 1.00 0.00 C ATOM 267 CD2 PHE A 19 -1.690 2.326 3.392 1.00 0.00 C ATOM 268 CE1 PHE A 19 -0.616 1.533 5.806 1.00 0.00 C ATOM 269 CE2 PHE A 19 -0.321 2.185 3.527 1.00 0.00 C ATOM 270 CZ PHE A 19 0.216 1.788 4.735 1.00 0.00 C ATOM 0 H PHE A 19 -3.401 5.230 4.944 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.659 3.524 4.778 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.514 1.358 4.750 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.273 2.226 3.247 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.631 1.478 6.509 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.104 2.636 2.444 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.199 1.221 6.752 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.328 2.385 2.687 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.285 1.677 4.842 1.00 0.00 H new ATOM 280 N ARG A 20 -4.853 2.421 7.110 1.00 0.00 N ATOM 281 CA ARG A 20 -4.750 2.294 8.560 1.00 0.00 C ATOM 282 C ARG A 20 -3.886 1.104 8.954 1.00 0.00 C ATOM 283 O ARG A 20 -3.627 0.227 8.129 1.00 0.00 O ATOM 284 CB ARG A 20 -6.138 2.138 9.180 1.00 0.00 C ATOM 285 CG ARG A 20 -7.024 3.358 9.006 1.00 0.00 C ATOM 286 CD ARG A 20 -6.700 4.438 10.030 1.00 0.00 C ATOM 287 NE ARG A 20 -7.093 4.056 11.387 1.00 0.00 N ATOM 288 CZ ARG A 20 -8.349 3.815 11.759 1.00 0.00 C ATOM 289 NH1 ARG A 20 -9.343 3.908 10.883 1.00 0.00 N ATOM 290 NH2 ARG A 20 -8.615 3.487 13.017 1.00 0.00 N ATOM 0 H ARG A 20 -5.330 1.644 6.652 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.281 3.203 8.936 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.631 1.275 8.733 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.030 1.927 10.244 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.897 3.760 8.001 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.070 3.066 9.103 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.630 4.645 10.009 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.209 5.361 9.754 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.360 3.969 12.091 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.148 4.166 9.916 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.302 3.721 11.178 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.858 3.420 13.697 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.576 3.302 13.303 1.00 0.00 H new ATOM 304 N LYS A 21 -3.502 1.019 10.223 1.00 0.00 N ATOM 305 CA LYS A 21 -2.746 -0.127 10.699 1.00 0.00 C ATOM 306 C LYS A 21 -3.628 -1.369 10.603 1.00 0.00 C ATOM 307 O LYS A 21 -4.804 -1.319 10.961 1.00 0.00 O ATOM 308 CB LYS A 21 -2.363 0.068 12.170 1.00 0.00 C ATOM 309 CG LYS A 21 -0.866 0.085 12.422 1.00 0.00 C ATOM 310 CD LYS A 21 -0.450 1.308 13.219 1.00 0.00 C ATOM 311 CE LYS A 21 -0.820 1.176 14.687 1.00 0.00 C ATOM 312 NZ LYS A 21 -0.365 2.349 15.484 1.00 0.00 N ATOM 0 H LYS A 21 -3.701 1.724 10.933 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.845 -0.236 10.095 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.791 1.005 12.525 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.811 -0.731 12.760 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.576 -0.817 12.961 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.336 0.072 11.470 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.626 1.453 13.127 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.928 2.194 12.802 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.901 1.071 14.781 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.375 0.267 15.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.710 2.260 16.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.674 2.385 15.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.741 3.222 15.062 1.00 0.00 H new ATOM 326 N THR A 22 -3.064 -2.471 10.117 1.00 0.00 N ATOM 327 CA THR A 22 -3.781 -3.741 10.014 1.00 0.00 C ATOM 328 C THR A 22 -4.622 -3.908 8.753 1.00 0.00 C ATOM 329 O THR A 22 -5.159 -4.994 8.533 1.00 0.00 O ATOM 330 CB THR A 22 -4.656 -3.975 11.258 1.00 0.00 C ATOM 331 OG1 THR A 22 -3.870 -3.954 12.438 1.00 0.00 O ATOM 332 CG2 THR A 22 -5.405 -5.292 11.238 1.00 0.00 C ATOM 0 H THR A 22 -2.101 -2.510 9.784 1.00 0.00 H new ATOM 0 HA THR A 22 -2.998 -4.496 9.949 1.00 0.00 H new ATOM 0 HB THR A 22 -5.383 -3.163 11.246 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.446 -4.103 13.217 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.000 -5.386 12.147 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.062 -5.324 10.369 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.692 -6.115 11.184 1.00 0.00 H new ATOM 340 N GLN A 23 -4.764 -2.877 7.914 1.00 0.00 N ATOM 341 CA GLN A 23 -5.559 -3.069 6.708 1.00 0.00 C ATOM 342 C GLN A 23 -4.714 -3.562 5.539 1.00 0.00 C ATOM 343 O GLN A 23 -3.574 -3.137 5.353 1.00 0.00 O ATOM 344 CB GLN A 23 -6.411 -1.862 6.317 1.00 0.00 C ATOM 345 CG GLN A 23 -7.901 -2.099 6.487 1.00 0.00 C ATOM 346 CD GLN A 23 -8.705 -0.816 6.447 1.00 0.00 C ATOM 347 OE1 GLN A 23 -8.526 0.069 7.283 1.00 0.00 O ATOM 348 NE2 GLN A 23 -9.601 -0.713 5.473 1.00 0.00 N ATOM 0 H GLN A 23 -4.361 -1.949 8.040 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.271 -3.854 6.964 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.115 -1.005 6.923 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.207 -1.603 5.278 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.251 -2.767 5.700 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.078 -2.605 7.436 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.715 -1.473 4.802 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.176 0.126 5.395 1.00 0.00 H new ATOM 357 N ILE A 24 -5.282 -4.495 4.780 1.00 0.00 N ATOM 358 CA ILE A 24 -4.588 -5.101 3.645 1.00 0.00 C ATOM 359 C ILE A 24 -4.727 -4.250 2.387 1.00 0.00 C ATOM 360 O ILE A 24 -5.781 -3.662 2.134 1.00 0.00 O ATOM 361 CB ILE A 24 -5.122 -6.519 3.341 1.00 0.00 C ATOM 362 CG1 ILE A 24 -5.524 -7.257 4.626 1.00 0.00 C ATOM 363 CG2 ILE A 24 -4.077 -7.319 2.580 1.00 0.00 C ATOM 364 CD1 ILE A 24 -6.866 -7.953 4.526 1.00 0.00 C ATOM 0 H ILE A 24 -6.226 -4.850 4.931 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.537 -5.164 3.928 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.015 -6.416 2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.758 -7.994 4.868 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.553 -6.545 5.451 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.464 -8.316 2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.846 -6.815 1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.171 -7.399 3.181 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.087 -8.454 5.468 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.642 -7.218 4.315 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.835 -8.689 3.723 1.00 0.00 H new ATOM 376 N LEU A 25 -3.653 -4.187 1.600 1.00 0.00 N ATOM 377 CA LEU A 25 -3.648 -3.400 0.371 1.00 0.00 C ATOM 378 C LEU A 25 -3.426 -4.266 -0.866 1.00 0.00 C ATOM 379 O LEU A 25 -2.756 -5.297 -0.797 1.00 0.00 O ATOM 380 CB LEU A 25 -2.573 -2.318 0.453 1.00 0.00 C ATOM 381 CG LEU A 25 -2.906 -1.167 1.407 1.00 0.00 C ATOM 382 CD1 LEU A 25 -2.131 -1.310 2.707 1.00 0.00 C ATOM 383 CD2 LEU A 25 -2.613 0.174 0.753 1.00 0.00 C ATOM 0 H LEU A 25 -2.777 -4.672 1.793 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.630 -2.938 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.636 -2.777 0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.408 -1.911 -0.544 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.971 -1.209 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.381 -0.483 3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.394 -2.253 3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.062 -1.296 2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.856 0.978 1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.556 0.228 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.216 0.278 -0.149 1.00 0.00 H new ATOM 395 N LYS A 26 -4.010 -3.864 -1.990 1.00 0.00 N ATOM 396 CA LYS A 26 -3.897 -4.609 -3.240 1.00 0.00 C ATOM 397 C LYS A 26 -2.647 -4.209 -4.020 1.00 0.00 C ATOM 398 O LYS A 26 -2.638 -3.207 -4.732 1.00 0.00 O ATOM 399 CB LYS A 26 -5.108 -4.272 -4.097 1.00 0.00 C ATOM 400 CG LYS A 26 -5.404 -5.329 -5.150 1.00 0.00 C ATOM 401 CD LYS A 26 -6.758 -5.971 -4.920 1.00 0.00 C ATOM 402 CE LYS A 26 -6.929 -7.224 -5.761 1.00 0.00 C ATOM 403 NZ LYS A 26 -7.528 -8.337 -4.976 1.00 0.00 N ATOM 0 H LYS A 26 -4.573 -3.016 -2.061 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.839 -5.672 -3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.980 -4.154 -3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.943 -3.313 -4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.378 -4.876 -6.141 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.628 -6.094 -5.129 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.869 -6.222 -3.865 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.546 -5.258 -5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.563 -7.002 -6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.960 -7.535 -6.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.629 -9.175 -5.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.911 -8.566 -4.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.463 -8.049 -4.624 1.00 0.00 H new ATOM 417 N ILE A 27 -1.605 -5.016 -3.888 1.00 0.00 N ATOM 418 CA ILE A 27 -0.351 -4.742 -4.582 1.00 0.00 C ATOM 419 C ILE A 27 -0.418 -5.172 -6.041 1.00 0.00 C ATOM 420 O ILE A 27 -0.934 -6.244 -6.358 1.00 0.00 O ATOM 421 CB ILE A 27 0.839 -5.451 -3.903 1.00 0.00 C ATOM 422 CG1 ILE A 27 0.474 -6.889 -3.522 1.00 0.00 C ATOM 423 CG2 ILE A 27 1.281 -4.665 -2.679 1.00 0.00 C ATOM 424 CD1 ILE A 27 1.655 -7.711 -3.053 1.00 0.00 C ATOM 0 H ILE A 27 -1.600 -5.859 -3.313 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.198 -3.664 -4.533 1.00 0.00 H new ATOM 0 HB ILE A 27 1.667 -5.495 -4.610 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.278 -6.867 -2.734 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.020 -7.380 -4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.122 -5.172 -2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.585 -3.663 -2.981 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.454 -4.596 -1.973 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.321 -8.717 -2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.399 -7.765 -3.847 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.097 -7.244 -2.173 1.00 0.00 H new ATOM 436 N LEU A 28 0.028 -4.295 -6.940 1.00 0.00 N ATOM 437 CA LEU A 28 -0.043 -4.591 -8.366 1.00 0.00 C ATOM 438 C LEU A 28 1.099 -3.973 -9.166 1.00 0.00 C ATOM 439 O LEU A 28 1.426 -4.469 -10.244 1.00 0.00 O ATOM 440 CB LEU A 28 -1.378 -4.134 -8.946 1.00 0.00 C ATOM 441 CG LEU A 28 -1.545 -2.620 -9.064 1.00 0.00 C ATOM 442 CD1 LEU A 28 -1.390 -2.177 -10.510 1.00 0.00 C ATOM 443 CD2 LEU A 28 -2.896 -2.190 -8.514 1.00 0.00 C ATOM 0 H LEU A 28 0.436 -3.389 -6.709 1.00 0.00 H new ATOM 0 HA LEU A 28 0.050 -5.674 -8.453 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.498 -4.576 -9.935 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.181 -4.526 -8.322 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.765 -2.140 -8.474 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.512 -1.096 -10.574 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.399 -2.452 -10.871 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.148 -2.665 -11.123 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.999 -1.109 -8.606 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.691 -2.679 -9.077 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.968 -2.474 -7.464 1.00 0.00 H new ATOM 455 N ASN A 29 1.766 -2.948 -8.631 1.00 0.00 N ATOM 456 CA ASN A 29 2.912 -2.410 -9.344 1.00 0.00 C ATOM 457 C ASN A 29 3.952 -1.876 -8.374 1.00 0.00 C ATOM 458 O ASN A 29 3.855 -0.789 -7.801 1.00 0.00 O ATOM 459 CB ASN A 29 2.428 -1.328 -10.322 1.00 0.00 C ATOM 460 CG ASN A 29 3.548 -0.499 -10.922 1.00 0.00 C ATOM 461 OD1 ASN A 29 3.842 -0.610 -12.110 1.00 0.00 O ATOM 462 ND2 ASN A 29 4.165 0.349 -10.107 1.00 0.00 N ATOM 0 H ASN A 29 1.542 -2.494 -7.745 1.00 0.00 H new ATOM 0 HA ASN A 29 3.397 -3.203 -9.914 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.869 -1.804 -11.128 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.736 -0.665 -9.802 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.916 0.941 -10.461 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.888 0.408 -9.127 1.00 0.00 H new ATOM 469 N MET A 30 4.997 -2.683 -8.325 1.00 0.00 N ATOM 470 CA MET A 30 6.210 -2.478 -7.585 1.00 0.00 C ATOM 471 C MET A 30 7.406 -2.656 -8.500 1.00 0.00 C ATOM 472 O MET A 30 7.579 -3.748 -9.037 1.00 0.00 O ATOM 473 CB MET A 30 6.294 -3.459 -6.406 1.00 0.00 C ATOM 474 CG MET A 30 5.791 -4.859 -6.725 1.00 0.00 C ATOM 475 SD MET A 30 4.975 -5.640 -5.319 1.00 0.00 S ATOM 476 CE MET A 30 3.734 -6.625 -6.155 1.00 0.00 C ATOM 0 H MET A 30 5.011 -3.561 -8.843 1.00 0.00 H new ATOM 0 HA MET A 30 6.212 -1.463 -7.188 1.00 0.00 H new ATOM 0 HB2 MET A 30 7.330 -3.524 -6.074 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.717 -3.059 -5.572 1.00 0.00 H new ATOM 0 HG2 MET A 30 5.095 -4.809 -7.562 1.00 0.00 H new ATOM 0 HG3 MET A 30 6.629 -5.478 -7.044 1.00 0.00 H new ATOM 0 HE1 MET A 30 3.533 -7.526 -5.575 1.00 0.00 H new ATOM 0 HE2 MET A 30 2.816 -6.045 -6.255 1.00 0.00 H new ATOM 0 HE3 MET A 30 4.097 -6.904 -7.144 1.00 0.00 H new ATOM 486 N GLU A 31 8.316 -1.697 -8.541 1.00 0.00 N ATOM 487 CA GLU A 31 9.581 -1.908 -9.265 1.00 0.00 C ATOM 488 C GLU A 31 10.386 -0.673 -9.648 1.00 0.00 C ATOM 489 O GLU A 31 11.582 -0.579 -9.376 1.00 0.00 O ATOM 490 CB GLU A 31 9.507 -2.902 -10.438 1.00 0.00 C ATOM 491 CG GLU A 31 10.177 -4.238 -10.151 1.00 0.00 C ATOM 492 CD GLU A 31 11.479 -4.412 -10.909 1.00 0.00 C ATOM 493 OE1 GLU A 31 11.436 -4.486 -12.155 1.00 0.00 O ATOM 494 OE2 GLU A 31 12.543 -4.475 -10.257 1.00 0.00 O ATOM 0 H GLU A 31 8.218 -0.784 -8.097 1.00 0.00 H new ATOM 0 HA GLU A 31 10.158 -2.378 -8.469 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.461 -3.077 -10.689 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.974 -2.452 -11.314 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.370 -4.321 -9.081 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.496 -5.046 -10.416 1.00 0.00 H new ATOM 501 N ASP A 32 9.694 0.281 -10.261 1.00 0.00 N ATOM 502 CA ASP A 32 10.332 1.527 -10.668 1.00 0.00 C ATOM 503 C ASP A 32 10.622 2.380 -9.449 1.00 0.00 C ATOM 504 O ASP A 32 11.249 3.436 -9.540 1.00 0.00 O ATOM 505 CB ASP A 32 9.450 2.329 -11.625 1.00 0.00 C ATOM 506 CG ASP A 32 9.362 1.696 -12.998 1.00 0.00 C ATOM 507 OD1 ASP A 32 10.423 1.358 -13.565 1.00 0.00 O ATOM 508 OD2 ASP A 32 8.234 1.539 -13.509 1.00 0.00 O ATOM 0 H ASP A 32 8.701 0.217 -10.485 1.00 0.00 H new ATOM 0 HA ASP A 32 11.257 1.266 -11.182 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.449 2.417 -11.204 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.846 3.340 -11.719 1.00 0.00 H new ATOM 513 N ASP A 33 10.077 1.949 -8.323 1.00 0.00 N ATOM 514 CA ASP A 33 10.226 2.666 -7.087 1.00 0.00 C ATOM 515 C ASP A 33 10.339 1.678 -5.945 1.00 0.00 C ATOM 516 O ASP A 33 9.329 1.313 -5.340 1.00 0.00 O ATOM 517 CB ASP A 33 9.028 3.589 -6.855 1.00 0.00 C ATOM 518 CG ASP A 33 9.450 4.950 -6.338 1.00 0.00 C ATOM 519 OD1 ASP A 33 10.525 5.433 -6.750 1.00 0.00 O ATOM 520 OD2 ASP A 33 8.710 5.531 -5.521 1.00 0.00 O ATOM 0 H ASP A 33 9.523 1.096 -8.250 1.00 0.00 H new ATOM 0 HA ASP A 33 11.128 3.275 -7.138 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.478 3.710 -7.788 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.347 3.126 -6.142 1.00 0.00 H new ATOM 525 N SER A 34 11.547 1.200 -5.672 1.00 0.00 N ATOM 526 CA SER A 34 11.755 0.211 -4.624 1.00 0.00 C ATOM 527 C SER A 34 11.343 0.754 -3.260 1.00 0.00 C ATOM 528 O SER A 34 11.933 0.375 -2.250 1.00 0.00 O ATOM 529 CB SER A 34 13.223 -0.214 -4.598 1.00 0.00 C ATOM 530 OG SER A 34 13.700 -0.471 -5.908 1.00 0.00 O ATOM 0 H SER A 34 12.396 1.482 -6.162 1.00 0.00 H new ATOM 0 HA SER A 34 11.130 -0.654 -4.843 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.824 0.569 -4.135 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.336 -1.108 -3.984 1.00 0.00 H new ATOM 0 HG SER A 34 14.642 -0.740 -5.866 1.00 0.00 H new ATOM 536 N ASN A 35 10.428 1.715 -3.216 1.00 0.00 N ATOM 537 CA ASN A 35 10.066 2.333 -1.942 1.00 0.00 C ATOM 538 C ASN A 35 8.597 2.747 -1.878 1.00 0.00 C ATOM 539 O ASN A 35 7.995 2.772 -0.803 1.00 0.00 O ATOM 540 CB ASN A 35 10.945 3.566 -1.728 1.00 0.00 C ATOM 541 CG ASN A 35 12.125 3.283 -0.821 1.00 0.00 C ATOM 542 OD1 ASN A 35 13.260 3.154 -1.280 1.00 0.00 O ATOM 543 ND2 ASN A 35 11.860 3.188 0.476 1.00 0.00 N ATOM 0 H ASN A 35 9.931 2.079 -4.029 1.00 0.00 H new ATOM 0 HA ASN A 35 10.224 1.591 -1.160 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.308 3.922 -2.692 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.344 4.367 -1.298 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.613 3.001 1.138 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.903 3.302 0.811 1.00 0.00 H new ATOM 550 N TRP A 36 8.027 3.069 -3.030 1.00 0.00 N ATOM 551 CA TRP A 36 6.631 3.463 -3.107 1.00 0.00 C ATOM 552 C TRP A 36 5.915 2.549 -4.093 1.00 0.00 C ATOM 553 O TRP A 36 6.271 2.489 -5.269 1.00 0.00 O ATOM 554 CB TRP A 36 6.505 4.931 -3.534 1.00 0.00 C ATOM 555 CG TRP A 36 7.138 5.890 -2.564 1.00 0.00 C ATOM 556 CD1 TRP A 36 8.280 6.613 -2.749 1.00 0.00 C ATOM 557 CD2 TRP A 36 6.659 6.227 -1.255 1.00 0.00 C ATOM 558 NE1 TRP A 36 8.546 7.371 -1.633 1.00 0.00 N ATOM 559 CE2 TRP A 36 7.565 7.152 -0.703 1.00 0.00 C ATOM 560 CE3 TRP A 36 5.554 5.837 -0.495 1.00 0.00 C ATOM 561 CZ2 TRP A 36 7.400 7.686 0.574 1.00 0.00 C ATOM 562 CZ3 TRP A 36 5.390 6.371 0.773 1.00 0.00 C ATOM 563 CH2 TRP A 36 6.310 7.285 1.294 1.00 0.00 C ATOM 0 H TRP A 36 8.513 3.065 -3.927 1.00 0.00 H new ATOM 0 HA TRP A 36 6.170 3.366 -2.124 1.00 0.00 H new ATOM 0 HB2 TRP A 36 6.967 5.058 -4.513 1.00 0.00 H new ATOM 0 HB3 TRP A 36 5.450 5.181 -3.644 1.00 0.00 H new ATOM 0 HD1 TRP A 36 8.887 6.593 -3.642 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.344 7.995 -1.517 1.00 0.00 H new ATOM 0 HE3 TRP A 36 4.839 5.130 -0.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 8.109 8.392 0.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.538 6.076 1.368 1.00 0.00 H new ATOM 0 HH2 TRP A 36 6.156 7.683 2.286 1.00 0.00 H new ATOM 574 N TYR A 37 4.974 1.764 -3.581 1.00 0.00 N ATOM 575 CA TYR A 37 4.269 0.771 -4.391 1.00 0.00 C ATOM 576 C TYR A 37 2.946 1.289 -4.921 1.00 0.00 C ATOM 577 O TYR A 37 2.369 2.220 -4.370 1.00 0.00 O ATOM 578 CB TYR A 37 4.001 -0.485 -3.558 1.00 0.00 C ATOM 579 CG TYR A 37 5.165 -1.443 -3.442 1.00 0.00 C ATOM 580 CD1 TYR A 37 6.473 -1.037 -3.685 1.00 0.00 C ATOM 581 CD2 TYR A 37 4.946 -2.765 -3.075 1.00 0.00 C ATOM 582 CE1 TYR A 37 7.527 -1.926 -3.564 1.00 0.00 C ATOM 583 CE2 TYR A 37 5.994 -3.657 -2.954 1.00 0.00 C ATOM 584 CZ TYR A 37 7.281 -3.233 -3.199 1.00 0.00 C ATOM 585 OH TYR A 37 8.327 -4.120 -3.076 1.00 0.00 O ATOM 0 H TYR A 37 4.679 1.795 -2.605 1.00 0.00 H new ATOM 0 HA TYR A 37 4.912 0.544 -5.242 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.702 -0.179 -2.555 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.156 -1.017 -3.994 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.669 -0.014 -3.972 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.938 -3.101 -2.881 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.538 -1.597 -3.755 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.805 -4.681 -2.669 1.00 0.00 H new ATOM 0 HH TYR A 37 7.982 -4.998 -2.811 1.00 0.00 H new ATOM 595 N ARG A 38 2.517 0.731 -6.049 1.00 0.00 N ATOM 596 CA ARG A 38 1.261 1.114 -6.669 1.00 0.00 C ATOM 597 C ARG A 38 0.277 0.008 -6.303 1.00 0.00 C ATOM 598 O ARG A 38 0.311 -1.093 -6.860 1.00 0.00 O ATOM 599 CB ARG A 38 1.394 1.260 -8.183 1.00 0.00 C ATOM 600 CG ARG A 38 0.378 2.206 -8.798 1.00 0.00 C ATOM 601 CD ARG A 38 0.980 3.573 -9.079 1.00 0.00 C ATOM 602 NE ARG A 38 2.024 3.512 -10.103 1.00 0.00 N ATOM 603 CZ ARG A 38 1.975 4.169 -11.263 1.00 0.00 C ATOM 604 NH1 ARG A 38 0.946 4.955 -11.555 1.00 0.00 N ATOM 605 NH2 ARG A 38 2.967 4.042 -12.135 1.00 0.00 N ATOM 0 H ARG A 38 3.028 0.006 -6.553 1.00 0.00 H new ATOM 0 HA ARG A 38 0.926 2.089 -6.315 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.397 1.616 -8.418 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.288 0.278 -8.644 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.002 1.778 -9.726 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.472 2.314 -8.125 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.194 4.256 -9.403 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.398 3.981 -8.159 1.00 0.00 H new ATOM 0 HE ARG A 38 2.841 2.930 -9.918 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.181 5.062 -10.889 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.920 5.452 -12.445 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.764 3.443 -11.917 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.933 4.543 -13.023 1.00 0.00 H new ATOM 619 N ALA A 39 -0.584 0.314 -5.348 1.00 0.00 N ATOM 620 CA ALA A 39 -1.583 -0.627 -4.868 1.00 0.00 C ATOM 621 C ALA A 39 -2.979 -0.149 -5.235 1.00 0.00 C ATOM 622 O ALA A 39 -3.155 0.967 -5.722 1.00 0.00 O ATOM 623 CB ALA A 39 -1.446 -0.808 -3.364 1.00 0.00 C ATOM 0 H ALA A 39 -0.611 1.221 -4.883 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.421 -1.593 -5.346 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.198 -1.514 -3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.452 -1.191 -3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.590 0.152 -2.867 1.00 0.00 H new ATOM 629 N GLU A 40 -3.966 -0.998 -4.993 1.00 0.00 N ATOM 630 CA GLU A 40 -5.339 -0.625 -5.304 1.00 0.00 C ATOM 631 C GLU A 40 -6.246 -0.831 -4.098 1.00 0.00 C ATOM 632 O GLU A 40 -5.940 -1.619 -3.200 1.00 0.00 O ATOM 633 CB GLU A 40 -5.837 -1.371 -6.556 1.00 0.00 C ATOM 634 CG GLU A 40 -6.634 -2.638 -6.292 1.00 0.00 C ATOM 635 CD GLU A 40 -7.604 -2.962 -7.411 1.00 0.00 C ATOM 636 OE1 GLU A 40 -7.206 -2.861 -8.590 1.00 0.00 O ATOM 637 OE2 GLU A 40 -8.761 -3.321 -7.108 1.00 0.00 O ATOM 0 H GLU A 40 -3.849 -1.928 -4.592 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.368 0.439 -5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.455 -0.690 -7.141 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.975 -1.627 -7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.947 -3.474 -6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.186 -2.527 -5.359 1.00 0.00 H new ATOM 644 N LEU A 41 -7.313 -0.044 -4.044 1.00 0.00 N ATOM 645 CA LEU A 41 -8.238 -0.086 -2.922 1.00 0.00 C ATOM 646 C LEU A 41 -9.572 0.542 -3.303 1.00 0.00 C ATOM 647 O LEU A 41 -9.624 1.674 -3.784 1.00 0.00 O ATOM 648 CB LEU A 41 -7.636 0.653 -1.729 1.00 0.00 C ATOM 649 CG LEU A 41 -8.491 0.664 -0.464 1.00 0.00 C ATOM 650 CD1 LEU A 41 -7.608 0.630 0.774 1.00 0.00 C ATOM 651 CD2 LEU A 41 -9.390 1.893 -0.446 1.00 0.00 C ATOM 0 H LEU A 41 -7.558 0.632 -4.767 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.411 -1.128 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.673 0.201 -1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.440 1.684 -2.023 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.121 -0.226 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.233 0.638 1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.002 -0.276 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.956 1.503 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.994 1.889 0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.776 2.793 -0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.044 1.878 -1.318 1.00 0.00 H new ATOM 663 N ASP A 42 -10.648 -0.196 -3.067 1.00 0.00 N ATOM 664 CA ASP A 42 -11.998 0.276 -3.365 1.00 0.00 C ATOM 665 C ASP A 42 -12.136 0.830 -4.791 1.00 0.00 C ATOM 666 O ASP A 42 -13.181 1.381 -5.135 1.00 0.00 O ATOM 667 CB ASP A 42 -12.407 1.350 -2.355 1.00 0.00 C ATOM 668 CG ASP A 42 -13.416 0.842 -1.343 1.00 0.00 C ATOM 669 OD1 ASP A 42 -14.379 0.161 -1.756 1.00 0.00 O ATOM 670 OD2 ASP A 42 -13.245 1.127 -0.140 1.00 0.00 O ATOM 0 H ASP A 42 -10.613 -1.133 -2.666 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.660 -0.587 -3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.521 1.708 -1.831 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.829 2.203 -2.887 1.00 0.00 H new ATOM 675 N GLY A 43 -11.105 0.677 -5.625 1.00 0.00 N ATOM 676 CA GLY A 43 -11.189 1.169 -6.991 1.00 0.00 C ATOM 677 C GLY A 43 -10.183 2.265 -7.324 1.00 0.00 C ATOM 678 O GLY A 43 -10.410 3.031 -8.260 1.00 0.00 O ATOM 0 H GLY A 43 -10.223 0.226 -5.381 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.040 0.334 -7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.195 1.549 -7.167 1.00 0.00 H new ATOM 682 N LYS A 44 -9.117 2.409 -6.538 1.00 0.00 N ATOM 683 CA LYS A 44 -8.136 3.474 -6.782 1.00 0.00 C ATOM 684 C LYS A 44 -6.717 2.904 -6.794 1.00 0.00 C ATOM 685 O LYS A 44 -6.357 2.110 -5.930 1.00 0.00 O ATOM 686 CB LYS A 44 -8.223 4.539 -5.683 1.00 0.00 C ATOM 687 CG LYS A 44 -9.581 5.219 -5.583 1.00 0.00 C ATOM 688 CD LYS A 44 -9.506 6.685 -5.986 1.00 0.00 C ATOM 689 CE LYS A 44 -8.712 7.505 -4.979 1.00 0.00 C ATOM 690 NZ LYS A 44 -7.339 7.816 -5.468 1.00 0.00 N ATOM 0 H LYS A 44 -8.909 1.813 -5.737 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.361 3.920 -7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.989 4.076 -4.724 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.461 5.297 -5.866 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.295 4.701 -6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.953 5.141 -4.562 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.043 6.769 -6.969 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.514 7.091 -6.072 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.242 8.435 -4.771 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.646 6.958 -4.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.664 7.138 -5.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.316 7.746 -6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.078 8.781 -5.180 1.00 0.00 H new ATOM 704 N GLU A 45 -5.896 3.359 -7.744 1.00 0.00 N ATOM 705 CA GLU A 45 -4.497 2.935 -7.822 1.00 0.00 C ATOM 706 C GLU A 45 -3.621 4.005 -7.172 1.00 0.00 C ATOM 707 O GLU A 45 -3.445 5.081 -7.747 1.00 0.00 O ATOM 708 CB GLU A 45 -4.065 2.724 -9.279 1.00 0.00 C ATOM 709 CG GLU A 45 -2.844 1.823 -9.443 1.00 0.00 C ATOM 710 CD GLU A 45 -2.922 0.968 -10.693 1.00 0.00 C ATOM 711 OE1 GLU A 45 -4.038 0.535 -11.048 1.00 0.00 O ATOM 712 OE2 GLU A 45 -1.868 0.739 -11.322 1.00 0.00 O ATOM 0 H GLU A 45 -6.176 4.020 -8.469 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.385 1.986 -7.298 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.898 2.294 -9.835 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.850 3.694 -9.727 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.945 2.438 -9.482 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.752 1.178 -8.569 1.00 0.00 H new ATOM 719 N GLY A 46 -3.121 3.760 -5.963 1.00 0.00 N ATOM 720 CA GLY A 46 -2.336 4.792 -5.301 1.00 0.00 C ATOM 721 C GLY A 46 -1.057 4.313 -4.648 1.00 0.00 C ATOM 722 O GLY A 46 -1.022 3.253 -4.022 1.00 0.00 O ATOM 0 H GLY A 46 -3.239 2.892 -5.441 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.085 5.560 -6.033 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.957 5.266 -4.541 1.00 0.00 H new ATOM 726 N LEU A 47 -0.004 5.120 -4.779 1.00 0.00 N ATOM 727 CA LEU A 47 1.300 4.816 -4.209 1.00 0.00 C ATOM 728 C LEU A 47 1.254 4.832 -2.682 1.00 0.00 C ATOM 729 O LEU A 47 0.494 5.596 -2.091 1.00 0.00 O ATOM 730 CB LEU A 47 2.316 5.839 -4.708 1.00 0.00 C ATOM 731 CG LEU A 47 2.869 5.575 -6.108 1.00 0.00 C ATOM 732 CD1 LEU A 47 2.920 6.865 -6.912 1.00 0.00 C ATOM 733 CD2 LEU A 47 4.249 4.941 -6.027 1.00 0.00 C ATOM 0 H LEU A 47 -0.036 6.005 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 47 1.593 3.815 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.851 6.825 -4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.149 5.873 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 47 2.202 4.879 -6.616 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.316 6.659 -7.906 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.915 7.279 -7.000 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.565 7.584 -6.406 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.626 4.761 -7.034 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.927 5.612 -5.500 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.184 3.995 -5.489 1.00 0.00 H new ATOM 745 N ILE A 48 2.056 3.990 -2.045 1.00 0.00 N ATOM 746 CA ILE A 48 2.067 3.937 -0.582 1.00 0.00 C ATOM 747 C ILE A 48 3.441 3.620 -0.006 1.00 0.00 C ATOM 748 O ILE A 48 4.221 2.888 -0.619 1.00 0.00 O ATOM 749 CB ILE A 48 1.089 2.868 -0.050 1.00 0.00 C ATOM 750 CG1 ILE A 48 1.516 1.466 -0.511 1.00 0.00 C ATOM 751 CG2 ILE A 48 -0.342 3.168 -0.468 1.00 0.00 C ATOM 752 CD1 ILE A 48 1.184 1.157 -1.954 1.00 0.00 C ATOM 0 H ILE A 48 2.698 3.344 -2.504 1.00 0.00 H new ATOM 0 HA ILE A 48 1.766 4.935 -0.263 1.00 0.00 H new ATOM 0 HB ILE A 48 1.124 2.895 1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.591 1.361 -0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.035 0.724 0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.005 2.396 -0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.641 4.138 -0.071 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.407 3.185 -1.556 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.519 0.149 -2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.106 1.227 -2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.687 1.873 -2.604 1.00 0.00 H new ATOM 764 N PRO A 49 3.666 3.977 1.279 1.00 0.00 N ATOM 765 CA PRO A 49 4.905 3.652 1.982 1.00 0.00 C ATOM 766 C PRO A 49 5.182 2.151 2.023 1.00 0.00 C ATOM 767 O PRO A 49 4.312 1.359 2.382 1.00 0.00 O ATOM 768 CB PRO A 49 4.692 4.184 3.401 1.00 0.00 C ATOM 769 CG PRO A 49 3.216 4.296 3.543 1.00 0.00 C ATOM 770 CD PRO A 49 2.698 4.641 2.173 1.00 0.00 C ATOM 0 HA PRO A 49 5.765 4.093 1.477 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.111 3.507 4.145 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.178 5.150 3.539 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.785 3.360 3.900 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.950 5.066 4.267 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.685 4.270 2.019 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.671 5.718 2.011 1.00 0.00 H new ATOM 778 N SER A 50 6.370 1.769 1.583 1.00 0.00 N ATOM 779 CA SER A 50 6.761 0.361 1.567 1.00 0.00 C ATOM 780 C SER A 50 7.061 -0.129 2.987 1.00 0.00 C ATOM 781 O SER A 50 6.800 -1.283 3.327 1.00 0.00 O ATOM 782 CB SER A 50 7.975 0.138 0.661 1.00 0.00 C ATOM 783 OG SER A 50 8.115 -1.230 0.325 1.00 0.00 O ATOM 0 H SER A 50 7.082 2.410 1.232 1.00 0.00 H new ATOM 0 HA SER A 50 5.927 -0.215 1.167 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.868 0.730 -0.248 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.877 0.486 1.164 1.00 0.00 H new ATOM 0 HG SER A 50 8.896 -1.346 -0.255 1.00 0.00 H new ATOM 789 N ASN A 51 7.650 0.748 3.793 1.00 0.00 N ATOM 790 CA ASN A 51 8.047 0.402 5.162 1.00 0.00 C ATOM 791 C ASN A 51 6.872 0.201 6.127 1.00 0.00 C ATOM 792 O ASN A 51 7.054 -0.361 7.206 1.00 0.00 O ATOM 793 CB ASN A 51 8.945 1.512 5.715 1.00 0.00 C ATOM 794 CG ASN A 51 10.362 1.041 5.969 1.00 0.00 C ATOM 795 OD1 ASN A 51 10.946 1.324 7.014 1.00 0.00 O ATOM 796 ND2 ASN A 51 10.922 0.319 5.008 1.00 0.00 N ATOM 0 H ASN A 51 7.866 1.708 3.525 1.00 0.00 H new ATOM 0 HA ASN A 51 8.566 -0.554 5.096 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.963 2.344 5.011 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.519 1.890 6.645 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.875 -0.026 5.119 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.399 0.109 4.158 1.00 0.00 H new ATOM 803 N TYR A 52 5.676 0.632 5.751 1.00 0.00 N ATOM 804 CA TYR A 52 4.512 0.472 6.620 1.00 0.00 C ATOM 805 C TYR A 52 3.722 -0.798 6.289 1.00 0.00 C ATOM 806 O TYR A 52 2.761 -1.161 6.998 1.00 0.00 O ATOM 807 CB TYR A 52 3.594 1.694 6.485 1.00 0.00 C ATOM 808 CG TYR A 52 4.176 2.971 7.063 1.00 0.00 C ATOM 809 CD1 TYR A 52 5.503 3.325 6.840 1.00 0.00 C ATOM 810 CD2 TYR A 52 3.396 3.824 7.832 1.00 0.00 C ATOM 811 CE1 TYR A 52 6.030 4.488 7.366 1.00 0.00 C ATOM 812 CE2 TYR A 52 3.917 4.986 8.363 1.00 0.00 C ATOM 813 CZ TYR A 52 5.233 5.315 8.128 1.00 0.00 C ATOM 814 OH TYR A 52 5.754 6.475 8.650 1.00 0.00 O ATOM 0 H TYR A 52 5.484 1.091 4.860 1.00 0.00 H new ATOM 0 HA TYR A 52 4.874 0.384 7.644 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.371 1.853 5.430 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.647 1.481 6.982 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.132 2.679 6.245 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.362 3.573 8.018 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.062 4.748 7.181 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.295 5.635 8.961 1.00 0.00 H new ATOM 0 HH TYR A 52 5.061 6.944 9.161 1.00 0.00 H new ATOM 824 N ILE A 53 4.186 -1.554 5.300 1.00 0.00 N ATOM 825 CA ILE A 53 3.508 -2.786 4.940 1.00 0.00 C ATOM 826 C ILE A 53 4.465 -3.880 4.483 1.00 0.00 C ATOM 827 O ILE A 53 5.617 -3.620 4.135 1.00 0.00 O ATOM 828 CB ILE A 53 2.458 -2.493 3.816 1.00 0.00 C ATOM 829 CG1 ILE A 53 2.837 -3.132 2.476 1.00 0.00 C ATOM 830 CG2 ILE A 53 2.274 -0.984 3.610 1.00 0.00 C ATOM 831 CD1 ILE A 53 1.807 -2.880 1.392 1.00 0.00 C ATOM 0 H ILE A 53 5.014 -1.338 4.744 1.00 0.00 H new ATOM 0 HA ILE A 53 3.013 -3.157 5.838 1.00 0.00 H new ATOM 0 HB ILE A 53 1.523 -2.938 4.157 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.802 -2.741 2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.958 -4.207 2.613 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.539 -0.811 2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.926 -0.530 4.538 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.226 -0.537 3.322 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.129 -3.356 0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.847 -3.295 1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.703 -1.807 1.231 1.00 0.00 H new ATOM 843 N GLU A 54 3.953 -5.111 4.472 1.00 0.00 N ATOM 844 CA GLU A 54 4.677 -6.302 4.060 1.00 0.00 C ATOM 845 C GLU A 54 3.728 -7.266 3.339 1.00 0.00 C ATOM 846 O GLU A 54 2.518 -7.234 3.572 1.00 0.00 O ATOM 847 CB GLU A 54 5.265 -7.015 5.285 1.00 0.00 C ATOM 848 CG GLU A 54 6.408 -7.966 4.956 1.00 0.00 C ATOM 849 CD GLU A 54 6.956 -8.670 6.184 1.00 0.00 C ATOM 850 OE1 GLU A 54 7.870 -8.115 6.831 1.00 0.00 O ATOM 851 OE2 GLU A 54 6.472 -9.778 6.498 1.00 0.00 O ATOM 0 H GLU A 54 2.994 -5.307 4.759 1.00 0.00 H new ATOM 0 HA GLU A 54 5.482 -6.001 3.389 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.621 -6.266 5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.473 -7.574 5.783 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.061 -8.711 4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.211 -7.409 4.473 1.00 0.00 H new ATOM 858 N MET A 55 4.265 -8.143 2.506 1.00 0.00 N ATOM 859 CA MET A 55 3.442 -9.101 1.758 1.00 0.00 C ATOM 860 C MET A 55 2.700 -10.099 2.651 1.00 0.00 C ATOM 861 O MET A 55 3.310 -10.849 3.415 1.00 0.00 O ATOM 862 CB MET A 55 4.325 -9.864 0.765 1.00 0.00 C ATOM 863 CG MET A 55 3.970 -9.618 -0.692 1.00 0.00 C ATOM 864 SD MET A 55 4.994 -10.577 -1.825 1.00 0.00 S ATOM 865 CE MET A 55 6.531 -9.658 -1.758 1.00 0.00 C ATOM 0 H MET A 55 5.266 -8.217 2.326 1.00 0.00 H new ATOM 0 HA MET A 55 2.680 -8.520 1.238 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.365 -9.582 0.928 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.248 -10.931 0.972 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.922 -9.869 -0.854 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.082 -8.557 -0.916 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.231 -10.066 -2.488 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.338 -8.610 -1.986 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.960 -9.739 -0.759 1.00 0.00 H new ATOM 875 N LYS A 56 1.372 -10.169 2.446 1.00 0.00 N ATOM 876 CA LYS A 56 0.517 -11.132 3.125 1.00 0.00 C ATOM 877 C LYS A 56 0.458 -12.404 2.283 1.00 0.00 C ATOM 878 O LYS A 56 -0.253 -13.357 2.600 1.00 0.00 O ATOM 879 CB LYS A 56 -0.915 -10.627 3.314 1.00 0.00 C ATOM 880 CG LYS A 56 -1.670 -11.346 4.424 1.00 0.00 C ATOM 881 CD LYS A 56 -3.126 -10.906 4.488 1.00 0.00 C ATOM 882 CE LYS A 56 -3.695 -11.004 5.898 1.00 0.00 C ATOM 883 NZ LYS A 56 -2.852 -10.296 6.906 1.00 0.00 N ATOM 0 H LYS A 56 0.871 -9.555 1.803 1.00 0.00 H new ATOM 0 HA LYS A 56 0.944 -11.307 4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.890 -9.560 3.535 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.461 -10.746 2.378 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.622 -12.422 4.260 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.187 -11.148 5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.209 -9.878 4.135 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.720 -11.523 3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.700 -10.583 5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.785 -12.054 6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.465 -9.789 7.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.273 -10.989 7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.230 -9.616 6.423 1.00 0.00 H new ATOM 897 N ASN A 57 1.241 -12.388 1.203 1.00 0.00 N ATOM 898 CA ASN A 57 1.322 -13.519 0.288 1.00 0.00 C ATOM 899 C ASN A 57 2.610 -14.297 0.519 1.00 0.00 C ATOM 900 O ASN A 57 3.400 -14.497 -0.403 1.00 0.00 O ATOM 901 CB ASN A 57 1.245 -13.049 -1.171 1.00 0.00 C ATOM 902 CG ASN A 57 -0.085 -13.372 -1.822 1.00 0.00 C ATOM 903 OD1 ASN A 57 -0.789 -14.292 -1.408 1.00 0.00 O ATOM 904 ND2 ASN A 57 -0.428 -12.615 -2.857 1.00 0.00 N ATOM 0 H ASN A 57 1.830 -11.597 0.943 1.00 0.00 H new ATOM 0 HA ASN A 57 0.473 -14.174 0.484 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.412 -11.973 -1.211 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.047 -13.517 -1.742 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.308 -12.786 -3.344 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.188 -11.863 -3.165 1.00 0.00 H new ATOM 911 N HIS A 58 2.809 -14.756 1.745 1.00 0.00 N ATOM 912 CA HIS A 58 4.002 -15.522 2.062 1.00 0.00 C ATOM 913 C HIS A 58 3.942 -16.866 1.347 1.00 0.00 C ATOM 914 O HIS A 58 3.061 -17.685 1.606 1.00 0.00 O ATOM 915 CB HIS A 58 4.115 -15.738 3.573 1.00 0.00 C ATOM 916 CG HIS A 58 5.375 -15.170 4.151 1.00 0.00 C ATOM 917 ND1 HIS A 58 5.386 -14.160 5.089 1.00 0.00 N ATOM 918 CD2 HIS A 58 6.672 -15.468 3.905 1.00 0.00 C ATOM 919 CE1 HIS A 58 6.638 -13.860 5.395 1.00 0.00 C ATOM 920 NE2 HIS A 58 7.437 -14.640 4.691 1.00 0.00 N ATOM 0 H HIS A 58 2.169 -14.614 2.526 1.00 0.00 H new ATOM 0 HA HIS A 58 4.880 -14.969 1.728 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.257 -15.280 4.065 1.00 0.00 H new ATOM 0 HB3 HIS A 58 4.073 -16.806 3.786 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.038 -16.217 3.219 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.953 -13.105 6.101 1.00 0.00 H new ATOM 0 HE2 HIS A 58 8.456 -14.630 4.725 1.00 0.00 H new ATOM 929 N ASP A 59 4.895 -17.082 0.444 1.00 0.00 N ATOM 930 CA ASP A 59 4.969 -18.322 -0.321 1.00 0.00 C ATOM 931 C ASP A 59 3.624 -18.663 -0.958 1.00 0.00 C ATOM 932 O ASP A 59 2.721 -17.800 -0.932 1.00 0.00 O ATOM 933 CB ASP A 59 5.430 -19.468 0.578 1.00 0.00 C ATOM 934 CG ASP A 59 6.940 -19.563 0.659 1.00 0.00 C ATOM 935 OD1 ASP A 59 7.563 -19.988 -0.336 1.00 0.00 O ATOM 936 OD2 ASP A 59 7.502 -19.210 1.718 1.00 0.00 O ATOM 937 OXT ASP A 59 3.486 -19.788 -1.480 1.00 0.00 O ATOM 0 H ASP A 59 5.630 -16.410 0.224 1.00 0.00 H new ATOM 0 HA ASP A 59 5.694 -18.180 -1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.023 -19.328 1.579 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.029 -20.408 0.199 1.00 0.00 H new TER 942 ASP A 59