USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 423 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+ 166:sc= 0.294 (180deg=-0.334) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.49) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 72:sc= 0.374! USER MOD Single : A 18 SER OG : rot 40:sc= -1.05 USER MOD Single : A 21 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.178) USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 23 GLN :FLIP amide:sc= -1.21 F(o=-4.4!,f=-1.2) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.372 K(o=-0.37,f=-2.9!) USER MOD Single : A 30 MET CE :methyl -127:sc= -2.03 (180deg=-5.96!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 127:sc= 0.213 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 105:sc= -1.34 USER MOD Single : A 55 MET CE :methyl 151:sc= -0.22 (180deg=-0.829) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.258 -9.559 -4.239 1.00 0.00 N ATOM 2 CA MET A 1 -4.043 -9.254 -3.441 1.00 0.00 C ATOM 3 C MET A 1 -4.352 -8.331 -2.262 1.00 0.00 C ATOM 4 O MET A 1 -5.100 -7.361 -2.395 1.00 0.00 O ATOM 5 CB MET A 1 -2.956 -8.628 -4.330 1.00 0.00 C ATOM 6 CG MET A 1 -3.418 -8.218 -5.732 1.00 0.00 C ATOM 7 SD MET A 1 -3.432 -9.598 -6.891 1.00 0.00 S ATOM 8 CE MET A 1 -4.996 -9.329 -7.715 1.00 0.00 C ATOM 0 H1 MET A 1 -4.980 -9.982 -5.148 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.858 -10.228 -3.716 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.788 -8.681 -4.414 1.00 0.00 H new ATOM 0 HA MET A 1 -3.676 -10.198 -3.038 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.557 -7.749 -3.824 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.135 -9.339 -4.428 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.419 -7.791 -5.670 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.761 -7.436 -6.112 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.150 -10.105 -8.465 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.803 -9.365 -6.984 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.989 -8.353 -8.199 1.00 0.00 H new ATOM 20 N GLU A 2 -3.787 -8.665 -1.101 1.00 0.00 N ATOM 21 CA GLU A 2 -4.013 -7.880 0.113 1.00 0.00 C ATOM 22 C GLU A 2 -2.712 -7.659 0.882 1.00 0.00 C ATOM 23 O GLU A 2 -1.893 -8.567 1.018 1.00 0.00 O ATOM 24 CB GLU A 2 -5.055 -8.562 1.008 1.00 0.00 C ATOM 25 CG GLU A 2 -6.494 -8.179 0.696 1.00 0.00 C ATOM 26 CD GLU A 2 -7.102 -7.272 1.750 1.00 0.00 C ATOM 27 OE1 GLU A 2 -6.819 -7.479 2.949 1.00 0.00 O ATOM 28 OE2 GLU A 2 -7.862 -6.355 1.376 1.00 0.00 O ATOM 0 H GLU A 2 -3.173 -9.470 -0.976 1.00 0.00 H new ATOM 0 HA GLU A 2 -4.394 -6.904 -0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -4.949 -9.642 0.910 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.842 -8.314 2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.531 -7.679 -0.272 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.096 -9.084 0.611 1.00 0.00 H new ATOM 35 N ALA A 3 -2.540 -6.436 1.383 1.00 0.00 N ATOM 36 CA ALA A 3 -1.352 -6.044 2.140 1.00 0.00 C ATOM 37 C ALA A 3 -1.728 -5.154 3.323 1.00 0.00 C ATOM 38 O ALA A 3 -2.636 -4.332 3.207 1.00 0.00 O ATOM 39 CB ALA A 3 -0.391 -5.297 1.223 1.00 0.00 C ATOM 0 H ALA A 3 -3.223 -5.687 1.275 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.873 -6.944 2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 3 0.495 -5.004 1.786 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.098 -5.945 0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.882 -4.407 0.829 1.00 0.00 H new ATOM 45 N ILE A 4 -0.989 -5.245 4.428 1.00 0.00 N ATOM 46 CA ILE A 4 -1.250 -4.384 5.587 1.00 0.00 C ATOM 47 C ILE A 4 -0.220 -3.265 5.618 1.00 0.00 C ATOM 48 O ILE A 4 0.891 -3.450 5.137 1.00 0.00 O ATOM 49 CB ILE A 4 -1.206 -5.198 6.911 1.00 0.00 C ATOM 50 CG1 ILE A 4 -2.337 -6.221 6.942 1.00 0.00 C ATOM 51 CG2 ILE A 4 -1.296 -4.289 8.133 1.00 0.00 C ATOM 52 CD1 ILE A 4 -2.139 -7.359 5.969 1.00 0.00 C ATOM 0 H ILE A 4 -0.214 -5.897 4.548 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.250 -3.960 5.494 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.248 -5.717 6.946 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.425 -6.625 7.950 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.278 -5.719 6.717 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.262 -4.893 9.039 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.458 -3.592 8.130 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.232 -3.731 8.104 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.979 -8.050 6.042 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.081 -6.964 4.955 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.214 -7.885 6.207 1.00 0.00 H new ATOM 64 N ALA A 5 -0.562 -2.129 6.227 1.00 0.00 N ATOM 65 CA ALA A 5 0.380 -1.018 6.297 1.00 0.00 C ATOM 66 C ALA A 5 0.193 -0.189 7.550 1.00 0.00 C ATOM 67 O ALA A 5 -0.719 0.639 7.597 1.00 0.00 O ATOM 68 CB ALA A 5 0.216 -0.118 5.092 1.00 0.00 C ATOM 0 H ALA A 5 -1.465 -1.958 6.669 1.00 0.00 H new ATOM 0 HA ALA A 5 1.380 -1.451 6.316 1.00 0.00 H new ATOM 0 HB1 ALA A 5 0.925 0.708 5.156 1.00 0.00 H new ATOM 0 HB2 ALA A 5 0.405 -0.689 4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -0.800 0.277 5.068 1.00 0.00 H new ATOM 74 N LYS A 6 1.066 -0.328 8.539 1.00 0.00 N ATOM 75 CA LYS A 6 0.901 0.507 9.720 1.00 0.00 C ATOM 76 C LYS A 6 1.879 1.671 9.749 1.00 0.00 C ATOM 77 O LYS A 6 2.993 1.554 10.253 1.00 0.00 O ATOM 78 CB LYS A 6 1.095 -0.341 10.982 1.00 0.00 C ATOM 79 CG LYS A 6 0.517 -1.751 10.891 1.00 0.00 C ATOM 80 CD LYS A 6 1.584 -2.802 11.156 1.00 0.00 C ATOM 81 CE LYS A 6 1.078 -3.908 12.068 1.00 0.00 C ATOM 82 NZ LYS A 6 1.960 -5.107 12.018 1.00 0.00 N ATOM 0 H LYS A 6 1.855 -0.974 8.552 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.107 0.920 9.684 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.161 -0.412 11.197 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.634 0.174 11.825 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.293 -1.862 11.612 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.087 -1.907 9.902 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.911 -3.233 10.210 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.455 -2.328 11.609 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.023 -3.539 13.092 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.066 -4.188 11.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.584 -5.841 12.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.993 -5.474 11.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.920 -4.845 12.322 1.00 0.00 H new ATOM 96 N HIS A 7 1.391 2.830 9.313 1.00 0.00 N ATOM 97 CA HIS A 7 2.109 4.093 9.400 1.00 0.00 C ATOM 98 C HIS A 7 1.059 5.169 9.122 1.00 0.00 C ATOM 99 O HIS A 7 0.485 5.133 8.037 1.00 0.00 O ATOM 100 CB HIS A 7 3.279 4.165 8.426 1.00 0.00 C ATOM 101 CG HIS A 7 4.389 5.051 8.897 1.00 0.00 C ATOM 102 ND1 HIS A 7 4.978 4.924 10.136 1.00 0.00 N ATOM 103 CD2 HIS A 7 5.007 6.094 8.292 1.00 0.00 C ATOM 104 CE1 HIS A 7 5.908 5.853 10.274 1.00 0.00 C ATOM 105 NE2 HIS A 7 5.947 6.574 9.167 1.00 0.00 N ATOM 0 H HIS A 7 0.470 2.916 8.883 1.00 0.00 H new ATOM 0 HA HIS A 7 2.568 4.223 10.380 1.00 0.00 H new ATOM 0 HB2 HIS A 7 3.670 3.160 8.264 1.00 0.00 H new ATOM 0 HB3 HIS A 7 2.919 4.527 7.463 1.00 0.00 H new ATOM 0 HD2 HIS A 7 4.798 6.476 7.304 1.00 0.00 H new ATOM 0 HE1 HIS A 7 6.531 5.998 11.144 1.00 0.00 H new ATOM 0 HE2 HIS A 7 6.574 7.359 8.992 1.00 0.00 H new ATOM 114 N ASP A 8 0.807 6.156 9.974 1.00 0.00 N ATOM 115 CA ASP A 8 -0.173 7.168 9.586 1.00 0.00 C ATOM 116 C ASP A 8 0.411 7.994 8.446 1.00 0.00 C ATOM 117 O ASP A 8 1.626 8.162 8.327 1.00 0.00 O ATOM 118 CB ASP A 8 -0.600 8.071 10.745 1.00 0.00 C ATOM 119 CG ASP A 8 -1.207 7.278 11.885 1.00 0.00 C ATOM 120 OD1 ASP A 8 -0.438 6.669 12.659 1.00 0.00 O ATOM 121 OD2 ASP A 8 -2.450 7.257 11.999 1.00 0.00 O ATOM 0 H ASP A 8 1.239 6.278 10.890 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.079 6.654 9.264 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.264 8.627 11.109 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.323 8.804 10.387 1.00 0.00 H new ATOM 126 N PHE A 9 -0.489 8.567 7.669 1.00 0.00 N ATOM 127 CA PHE A 9 -0.112 9.453 6.582 1.00 0.00 C ATOM 128 C PHE A 9 -1.296 10.343 6.248 1.00 0.00 C ATOM 129 O PHE A 9 -2.310 9.906 5.698 1.00 0.00 O ATOM 130 CB PHE A 9 0.342 8.635 5.372 1.00 0.00 C ATOM 131 CG PHE A 9 1.507 9.240 4.643 1.00 0.00 C ATOM 132 CD1 PHE A 9 1.302 10.147 3.618 1.00 0.00 C ATOM 133 CD2 PHE A 9 2.807 8.901 4.983 1.00 0.00 C ATOM 134 CE1 PHE A 9 2.368 10.706 2.946 1.00 0.00 C ATOM 135 CE2 PHE A 9 3.878 9.457 4.314 1.00 0.00 C ATOM 136 CZ PHE A 9 3.660 10.362 3.292 1.00 0.00 C ATOM 0 H PHE A 9 -1.495 8.433 7.772 1.00 0.00 H new ATOM 0 HA PHE A 9 0.726 10.084 6.878 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.611 7.632 5.702 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.494 8.529 4.681 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.294 10.420 3.341 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.984 8.194 5.780 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.193 11.413 2.149 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.886 9.185 4.589 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.497 10.798 2.766 1.00 0.00 H new ATOM 146 N SER A 10 -1.108 11.619 6.596 1.00 0.00 N ATOM 147 CA SER A 10 -2.113 12.645 6.354 1.00 0.00 C ATOM 148 C SER A 10 -1.464 13.900 5.761 1.00 0.00 C ATOM 149 O SER A 10 -1.284 14.931 6.409 1.00 0.00 O ATOM 150 CB SER A 10 -2.898 12.938 7.632 1.00 0.00 C ATOM 151 OG SER A 10 -4.116 13.603 7.343 1.00 0.00 O ATOM 0 H SER A 10 -0.261 11.963 7.049 1.00 0.00 H new ATOM 0 HA SER A 10 -2.830 12.279 5.619 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.105 12.005 8.157 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.295 13.552 8.300 1.00 0.00 H new ATOM 0 HG SER A 10 -4.600 13.777 8.177 1.00 0.00 H new ATOM 157 N ALA A 11 -1.229 13.766 4.468 1.00 0.00 N ATOM 158 CA ALA A 11 -0.725 14.812 3.582 1.00 0.00 C ATOM 159 C ALA A 11 -0.334 14.089 2.309 1.00 0.00 C ATOM 160 O ALA A 11 0.367 13.078 2.362 1.00 0.00 O ATOM 161 CB ALA A 11 0.428 15.600 4.196 1.00 0.00 C ATOM 0 H ALA A 11 -1.390 12.885 3.980 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.479 15.575 3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.762 16.363 3.493 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.093 16.077 5.117 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.254 14.924 4.417 1.00 0.00 H new ATOM 167 N THR A 12 -0.892 14.515 1.183 1.00 0.00 N ATOM 168 CA THR A 12 -0.684 13.759 -0.040 1.00 0.00 C ATOM 169 C THR A 12 -0.627 14.568 -1.348 1.00 0.00 C ATOM 170 O THR A 12 -0.350 15.766 -1.338 1.00 0.00 O ATOM 171 CB THR A 12 -1.863 12.775 -0.111 1.00 0.00 C ATOM 172 OG1 THR A 12 -1.852 12.015 -1.300 1.00 0.00 O ATOM 173 CG2 THR A 12 -3.212 13.459 -0.007 1.00 0.00 C ATOM 0 H THR A 12 -1.471 15.349 1.092 1.00 0.00 H new ATOM 0 HA THR A 12 0.303 13.300 0.021 1.00 0.00 H new ATOM 0 HB THR A 12 -1.727 12.121 0.750 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.123 11.361 -1.264 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.004 12.712 -0.064 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.279 13.988 0.944 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.324 14.169 -0.826 1.00 0.00 H new ATOM 181 N ALA A 13 -0.907 13.902 -2.459 1.00 0.00 N ATOM 182 CA ALA A 13 -0.944 14.513 -3.783 1.00 0.00 C ATOM 183 C ALA A 13 -1.657 13.553 -4.721 1.00 0.00 C ATOM 184 O ALA A 13 -1.920 12.408 -4.350 1.00 0.00 O ATOM 185 CB ALA A 13 0.430 14.831 -4.367 1.00 0.00 C ATOM 0 H ALA A 13 -1.119 12.904 -2.467 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.461 15.467 -3.679 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.311 15.282 -5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.953 15.526 -3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.009 13.912 -4.457 1.00 0.00 H new ATOM 191 N ASP A 14 -1.910 13.976 -5.952 1.00 0.00 N ATOM 192 CA ASP A 14 -2.527 13.114 -6.952 1.00 0.00 C ATOM 193 C ASP A 14 -1.509 12.085 -7.455 1.00 0.00 C ATOM 194 O ASP A 14 -1.428 11.805 -8.653 1.00 0.00 O ATOM 195 CB ASP A 14 -3.076 13.933 -8.125 1.00 0.00 C ATOM 196 CG ASP A 14 -2.088 14.970 -8.633 1.00 0.00 C ATOM 197 OD1 ASP A 14 -1.505 15.697 -7.801 1.00 0.00 O ATOM 198 OD2 ASP A 14 -1.898 15.054 -9.865 1.00 0.00 O ATOM 0 H ASP A 14 -1.696 14.917 -6.284 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.363 12.593 -6.485 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.340 13.259 -8.940 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.993 14.433 -7.815 1.00 0.00 H new ATOM 203 N ASP A 15 -0.739 11.517 -6.524 1.00 0.00 N ATOM 204 CA ASP A 15 0.268 10.520 -6.873 1.00 0.00 C ATOM 205 C ASP A 15 0.603 9.626 -5.683 1.00 0.00 C ATOM 206 O ASP A 15 0.648 8.402 -5.817 1.00 0.00 O ATOM 207 CB ASP A 15 1.531 11.210 -7.382 1.00 0.00 C ATOM 208 CG ASP A 15 2.111 12.174 -6.366 1.00 0.00 C ATOM 209 OD1 ASP A 15 2.942 11.740 -5.542 1.00 0.00 O ATOM 210 OD2 ASP A 15 1.736 13.361 -6.398 1.00 0.00 O ATOM 0 H ASP A 15 -0.795 11.731 -5.528 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.142 9.889 -7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.278 10.457 -7.632 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.302 11.749 -8.301 1.00 0.00 H new ATOM 215 N GLU A 16 0.837 10.228 -4.523 1.00 0.00 N ATOM 216 CA GLU A 16 1.167 9.467 -3.326 1.00 0.00 C ATOM 217 C GLU A 16 -0.092 9.203 -2.511 1.00 0.00 C ATOM 218 O GLU A 16 -0.763 10.134 -2.084 1.00 0.00 O ATOM 219 CB GLU A 16 2.183 10.245 -2.490 1.00 0.00 C ATOM 220 CG GLU A 16 3.615 9.771 -2.672 1.00 0.00 C ATOM 221 CD GLU A 16 4.345 9.612 -1.354 1.00 0.00 C ATOM 222 OE1 GLU A 16 4.345 10.572 -0.556 1.00 0.00 O ATOM 223 OE2 GLU A 16 4.915 8.526 -1.121 1.00 0.00 O ATOM 0 H GLU A 16 0.804 11.238 -4.387 1.00 0.00 H new ATOM 0 HA GLU A 16 1.600 8.510 -3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.123 11.301 -2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.913 10.162 -1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.614 8.818 -3.201 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.153 10.483 -3.298 1.00 0.00 H new ATOM 230 N LEU A 17 -0.453 7.935 -2.363 1.00 0.00 N ATOM 231 CA LEU A 17 -1.675 7.563 -1.653 1.00 0.00 C ATOM 232 C LEU A 17 -1.505 7.635 -0.132 1.00 0.00 C ATOM 233 O LEU A 17 -0.641 6.967 0.431 1.00 0.00 O ATOM 234 CB LEU A 17 -2.041 6.120 -2.007 1.00 0.00 C ATOM 235 CG LEU A 17 -3.387 5.944 -2.701 1.00 0.00 C ATOM 236 CD1 LEU A 17 -3.229 6.145 -4.194 1.00 0.00 C ATOM 237 CD2 LEU A 17 -3.964 4.567 -2.397 1.00 0.00 C ATOM 0 H LEU A 17 0.081 7.145 -2.724 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.451 8.266 -1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.262 5.712 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.041 5.527 -1.092 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.082 6.693 -2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.195 6.018 -4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.854 7.150 -4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.524 5.412 -4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.925 4.456 -2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.278 3.798 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.103 4.460 -1.321 1.00 0.00 H new ATOM 249 N SER A 18 -2.384 8.392 0.535 1.00 0.00 N ATOM 250 CA SER A 18 -2.350 8.494 1.998 1.00 0.00 C ATOM 251 C SER A 18 -3.228 7.419 2.637 1.00 0.00 C ATOM 252 O SER A 18 -3.931 6.691 1.941 1.00 0.00 O ATOM 253 CB SER A 18 -2.794 9.877 2.471 1.00 0.00 C ATOM 254 OG SER A 18 -1.682 10.730 2.667 1.00 0.00 O ATOM 0 H SER A 18 -3.121 8.938 0.090 1.00 0.00 H new ATOM 0 HA SER A 18 -1.317 8.340 2.311 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.468 10.317 1.736 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.353 9.784 3.402 1.00 0.00 H new ATOM 0 HG SER A 18 -1.028 10.585 1.952 1.00 0.00 H new ATOM 260 N PHE A 19 -3.151 7.300 3.969 1.00 0.00 N ATOM 261 CA PHE A 19 -3.949 6.296 4.686 1.00 0.00 C ATOM 262 C PHE A 19 -3.693 6.298 6.204 1.00 0.00 C ATOM 263 O PHE A 19 -3.060 7.201 6.752 1.00 0.00 O ATOM 264 CB PHE A 19 -3.693 4.891 4.132 1.00 0.00 C ATOM 265 CG PHE A 19 -2.296 4.395 4.358 1.00 0.00 C ATOM 266 CD1 PHE A 19 -1.202 5.097 3.879 1.00 0.00 C ATOM 267 CD2 PHE A 19 -2.078 3.225 5.050 1.00 0.00 C ATOM 268 CE1 PHE A 19 0.081 4.636 4.089 1.00 0.00 C ATOM 269 CE2 PHE A 19 -0.804 2.765 5.264 1.00 0.00 C ATOM 270 CZ PHE A 19 0.277 3.466 4.784 1.00 0.00 C ATOM 0 H PHE A 19 -2.555 7.876 4.564 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.991 6.572 4.524 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.394 4.196 4.593 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.900 4.890 3.062 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.356 6.017 3.334 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.919 2.663 5.428 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.926 5.191 3.710 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.649 1.848 5.812 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.278 3.098 4.953 1.00 0.00 H new ATOM 280 N ARG A 20 -4.208 5.244 6.856 1.00 0.00 N ATOM 281 CA ARG A 20 -4.053 5.055 8.303 1.00 0.00 C ATOM 282 C ARG A 20 -3.225 3.793 8.579 1.00 0.00 C ATOM 283 O ARG A 20 -3.205 2.867 7.764 1.00 0.00 O ATOM 284 CB ARG A 20 -5.415 4.961 9.022 1.00 0.00 C ATOM 285 CG ARG A 20 -6.625 4.816 8.106 1.00 0.00 C ATOM 286 CD ARG A 20 -7.634 5.931 8.314 1.00 0.00 C ATOM 287 NE ARG A 20 -8.449 5.705 9.509 1.00 0.00 N ATOM 288 CZ ARG A 20 -9.426 4.803 9.573 1.00 0.00 C ATOM 289 NH1 ARG A 20 -9.742 4.088 8.502 1.00 0.00 N ATOM 290 NH2 ARG A 20 -10.098 4.621 10.704 1.00 0.00 N ATOM 0 H ARG A 20 -4.740 4.505 6.397 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.534 5.929 8.697 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.390 4.110 9.702 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.547 5.854 9.633 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.295 4.815 7.067 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.105 3.854 8.289 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.111 6.883 8.404 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.281 6.004 7.440 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.258 6.269 10.337 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.236 4.229 7.627 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.491 3.397 8.553 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.866 5.174 11.529 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.846 3.928 10.747 1.00 0.00 H new ATOM 304 N LYS A 21 -2.575 3.730 9.742 1.00 0.00 N ATOM 305 CA LYS A 21 -1.796 2.545 10.106 1.00 0.00 C ATOM 306 C LYS A 21 -2.741 1.340 10.237 1.00 0.00 C ATOM 307 O LYS A 21 -3.882 1.486 10.666 1.00 0.00 O ATOM 308 CB LYS A 21 -1.013 2.796 11.418 1.00 0.00 C ATOM 309 CG LYS A 21 -1.372 1.907 12.608 1.00 0.00 C ATOM 310 CD LYS A 21 -0.329 2.039 13.716 1.00 0.00 C ATOM 311 CE LYS A 21 -0.470 0.950 14.770 1.00 0.00 C ATOM 312 NZ LYS A 21 0.605 -0.075 14.657 1.00 0.00 N ATOM 0 H LYS A 21 -2.571 4.474 10.440 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.065 2.331 9.326 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.050 2.674 11.209 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.163 3.835 11.711 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.354 2.184 12.992 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.437 0.868 12.285 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.669 1.994 13.280 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.426 3.016 14.190 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.440 1.399 15.763 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.443 0.469 14.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.598 -0.680 15.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.440 -0.659 13.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.528 0.397 14.577 1.00 0.00 H new ATOM 326 N THR A 22 -2.268 0.157 9.832 1.00 0.00 N ATOM 327 CA THR A 22 -3.048 -1.079 9.894 1.00 0.00 C ATOM 328 C THR A 22 -4.078 -1.187 8.781 1.00 0.00 C ATOM 329 O THR A 22 -4.907 -2.096 8.779 1.00 0.00 O ATOM 330 CB THR A 22 -3.740 -1.226 11.246 1.00 0.00 C ATOM 331 OG1 THR A 22 -2.878 -0.841 12.301 1.00 0.00 O ATOM 332 CG2 THR A 22 -4.197 -2.646 11.514 1.00 0.00 C ATOM 0 H THR A 22 -1.330 0.031 9.451 1.00 0.00 H new ATOM 0 HA THR A 22 -2.332 -1.890 9.760 1.00 0.00 H new ATOM 0 HB THR A 22 -4.612 -0.574 11.205 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.344 -0.942 13.157 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.683 -2.694 12.489 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.902 -2.953 10.742 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.335 -3.313 11.505 1.00 0.00 H new ATOM 340 N GLN A 23 -4.043 -0.241 7.856 1.00 0.00 N ATOM 341 CA GLN A 23 -4.979 -0.174 6.743 1.00 0.00 C ATOM 342 C GLN A 23 -4.800 -1.316 5.749 1.00 0.00 C ATOM 343 O GLN A 23 -3.684 -1.593 5.305 1.00 0.00 O ATOM 344 CB GLN A 23 -4.705 1.156 6.051 1.00 0.00 C ATOM 345 CG GLN A 23 -5.780 1.570 5.065 1.00 0.00 C ATOM 346 CD GLN A 23 -7.174 1.515 5.658 1.00 0.00 C ATOM 347 OE1 GLN A 23 -7.397 2.299 6.699 1.00 0.00 O flip ATOM 348 NE2 GLN A 23 -8.035 0.774 5.187 1.00 0.00 N flip ATOM 0 H GLN A 23 -3.355 0.512 7.856 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.000 -0.258 7.114 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -4.602 1.933 6.808 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -3.751 1.092 5.527 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.578 2.583 4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.736 0.919 4.192 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.817 0.186 4.382 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.967 0.747 5.601 1.00 0.00 H new ATOM 357 N ILE A 24 -5.903 -1.956 5.385 1.00 0.00 N ATOM 358 CA ILE A 24 -5.865 -3.048 4.424 1.00 0.00 C ATOM 359 C ILE A 24 -5.947 -2.483 3.014 1.00 0.00 C ATOM 360 O ILE A 24 -6.985 -1.971 2.596 1.00 0.00 O ATOM 361 CB ILE A 24 -7.023 -4.041 4.644 1.00 0.00 C ATOM 362 CG1 ILE A 24 -8.375 -3.319 4.599 1.00 0.00 C ATOM 363 CG2 ILE A 24 -6.848 -4.769 5.967 1.00 0.00 C ATOM 364 CD1 ILE A 24 -9.503 -4.186 4.083 1.00 0.00 C ATOM 0 H ILE A 24 -6.834 -1.738 5.741 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.928 -3.586 4.564 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.005 -4.775 3.838 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.625 -2.969 5.601 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.286 -2.436 3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.673 -5.467 6.110 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.906 -5.317 5.959 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.840 -4.045 6.782 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.430 -3.612 4.078 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.274 -4.515 3.069 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -9.618 -5.056 4.730 1.00 0.00 H new ATOM 376 N LEU A 25 -4.835 -2.536 2.289 1.00 0.00 N ATOM 377 CA LEU A 25 -4.799 -1.983 0.945 1.00 0.00 C ATOM 378 C LEU A 25 -4.839 -3.045 -0.145 1.00 0.00 C ATOM 379 O LEU A 25 -4.267 -4.127 -0.009 1.00 0.00 O ATOM 380 CB LEU A 25 -3.562 -1.112 0.744 1.00 0.00 C ATOM 381 CG LEU A 25 -2.240 -1.782 1.129 1.00 0.00 C ATOM 382 CD1 LEU A 25 -1.129 -1.380 0.171 1.00 0.00 C ATOM 383 CD2 LEU A 25 -1.866 -1.422 2.555 1.00 0.00 C ATOM 0 H LEU A 25 -3.959 -2.951 2.606 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.702 -1.380 0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.511 -0.813 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.676 -0.201 1.331 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.371 -2.862 1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.200 -1.869 0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.394 -1.684 -0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.996 -0.299 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.924 -1.904 2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.756 -0.341 2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.649 -1.762 3.233 1.00 0.00 H new ATOM 395 N LYS A 26 -5.510 -2.701 -1.232 1.00 0.00 N ATOM 396 CA LYS A 26 -5.662 -3.533 -2.414 1.00 0.00 C ATOM 397 C LYS A 26 -4.510 -3.237 -3.375 1.00 0.00 C ATOM 398 O LYS A 26 -4.113 -2.086 -3.518 1.00 0.00 O ATOM 399 CB LYS A 26 -6.975 -3.172 -3.089 1.00 0.00 C ATOM 400 CG LYS A 26 -8.172 -3.902 -2.525 1.00 0.00 C ATOM 401 CD LYS A 26 -9.473 -3.218 -2.910 1.00 0.00 C ATOM 402 CE LYS A 26 -9.857 -2.144 -1.905 1.00 0.00 C ATOM 403 NZ LYS A 26 -11.148 -2.458 -1.236 1.00 0.00 N ATOM 0 H LYS A 26 -5.981 -1.801 -1.318 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.656 -4.588 -2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.138 -2.098 -2.994 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.897 -3.390 -4.154 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.178 -4.929 -2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.092 -3.950 -1.439 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.372 -2.772 -3.900 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.270 -3.959 -2.974 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.072 -2.049 -1.155 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.933 -1.182 -2.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.379 -1.705 -0.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.902 -2.525 -1.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.067 -3.365 -0.733 1.00 0.00 H new ATOM 417 N ILE A 27 -3.897 -4.267 -3.947 1.00 0.00 N ATOM 418 CA ILE A 27 -2.758 -4.041 -4.838 1.00 0.00 C ATOM 419 C ILE A 27 -3.132 -4.378 -6.282 1.00 0.00 C ATOM 420 O ILE A 27 -3.868 -5.335 -6.510 1.00 0.00 O ATOM 421 CB ILE A 27 -1.481 -4.804 -4.366 1.00 0.00 C ATOM 422 CG1 ILE A 27 -0.253 -3.909 -4.507 1.00 0.00 C ATOM 423 CG2 ILE A 27 -1.264 -6.116 -5.106 1.00 0.00 C ATOM 424 CD1 ILE A 27 0.651 -3.925 -3.293 1.00 0.00 C ATOM 0 H ILE A 27 -4.158 -5.244 -3.817 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.507 -2.981 -4.797 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.635 -5.058 -3.317 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.319 -4.225 -5.379 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.579 -2.886 -4.693 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.361 -6.599 -4.733 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.120 -6.771 -4.943 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.156 -5.919 -6.173 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.503 -3.267 -3.465 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.095 -3.580 -2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.007 -4.940 -3.118 1.00 0.00 H new ATOM 436 N LEU A 28 -2.717 -3.562 -7.257 1.00 0.00 N ATOM 437 CA LEU A 28 -3.131 -3.795 -8.641 1.00 0.00 C ATOM 438 C LEU A 28 -2.267 -4.827 -9.343 1.00 0.00 C ATOM 439 O LEU A 28 -2.769 -5.848 -9.815 1.00 0.00 O ATOM 440 CB LEU A 28 -3.089 -2.482 -9.431 1.00 0.00 C ATOM 441 CG LEU A 28 -4.451 -1.827 -9.680 1.00 0.00 C ATOM 442 CD1 LEU A 28 -4.418 -0.356 -9.290 1.00 0.00 C ATOM 443 CD2 LEU A 28 -4.858 -1.985 -11.139 1.00 0.00 C ATOM 0 H LEU A 28 -2.110 -2.754 -7.118 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.149 -4.184 -8.604 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.456 -1.774 -8.896 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.613 -2.671 -10.393 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.193 -2.328 -9.058 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.395 0.091 -9.474 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.171 -0.265 -8.232 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.664 0.161 -9.884 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.828 -1.514 -11.299 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.114 -1.509 -11.778 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.924 -3.045 -11.386 1.00 0.00 H new ATOM 455 N ASN A 29 -0.967 -4.593 -9.371 1.00 0.00 N ATOM 456 CA ASN A 29 -0.017 -5.500 -9.986 1.00 0.00 C ATOM 457 C ASN A 29 1.232 -5.532 -9.122 1.00 0.00 C ATOM 458 O ASN A 29 1.679 -4.486 -8.652 1.00 0.00 O ATOM 459 CB ASN A 29 0.340 -4.989 -11.382 1.00 0.00 C ATOM 460 CG ASN A 29 -0.278 -5.833 -12.477 1.00 0.00 C ATOM 461 OD1 ASN A 29 -0.725 -6.954 -12.236 1.00 0.00 O ATOM 462 ND2 ASN A 29 -0.307 -5.295 -13.689 1.00 0.00 N ATOM 0 H ASN A 29 -0.539 -3.761 -8.964 1.00 0.00 H new ATOM 0 HA ASN A 29 -0.444 -6.499 -10.071 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.003 -3.958 -11.487 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.424 -4.983 -11.498 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.712 -5.814 -14.468 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.076 -4.362 -13.842 1.00 0.00 H new ATOM 469 N MET A 30 1.795 -6.703 -8.886 1.00 0.00 N ATOM 470 CA MET A 30 2.980 -6.828 -8.063 1.00 0.00 C ATOM 471 C MET A 30 4.116 -7.533 -8.772 1.00 0.00 C ATOM 472 O MET A 30 4.025 -8.729 -9.045 1.00 0.00 O ATOM 473 CB MET A 30 2.645 -7.535 -6.749 1.00 0.00 C ATOM 474 CG MET A 30 1.882 -8.834 -6.940 1.00 0.00 C ATOM 475 SD MET A 30 0.114 -8.663 -6.621 1.00 0.00 S ATOM 476 CE MET A 30 -0.546 -8.954 -8.259 1.00 0.00 C ATOM 0 H MET A 30 1.446 -7.587 -9.257 1.00 0.00 H new ATOM 0 HA MET A 30 3.325 -5.816 -7.850 1.00 0.00 H new ATOM 0 HB2 MET A 30 3.570 -7.741 -6.210 1.00 0.00 H new ATOM 0 HB3 MET A 30 2.055 -6.864 -6.124 1.00 0.00 H new ATOM 0 HG2 MET A 30 2.029 -9.190 -7.960 1.00 0.00 H new ATOM 0 HG3 MET A 30 2.294 -9.593 -6.275 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.205 -8.132 -8.537 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.273 -9.020 -8.975 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.108 -9.888 -8.264 1.00 0.00 H new ATOM 536 N ASN A 35 10.981 -0.783 -4.344 1.00 0.00 N ATOM 537 CA ASN A 35 10.766 0.241 -3.321 1.00 0.00 C ATOM 538 C ASN A 35 9.429 0.978 -3.524 1.00 0.00 C ATOM 539 O ASN A 35 8.804 1.426 -2.558 1.00 0.00 O ATOM 540 CB ASN A 35 11.891 1.273 -3.395 1.00 0.00 C ATOM 541 CG ASN A 35 12.688 1.352 -2.108 1.00 0.00 C ATOM 542 OD1 ASN A 35 13.774 0.777 -2.003 1.00 0.00 O ATOM 543 ND2 ASN A 35 12.151 2.063 -1.119 1.00 0.00 N ATOM 0 HA ASN A 35 10.750 -0.259 -2.353 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.559 1.020 -4.218 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.468 2.252 -3.618 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.641 2.149 -0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.250 2.522 -1.252 1.00 0.00 H new ATOM 550 N TRP A 36 8.999 1.101 -4.782 1.00 0.00 N ATOM 551 CA TRP A 36 7.746 1.795 -5.109 1.00 0.00 C ATOM 552 C TRP A 36 6.706 0.846 -5.683 1.00 0.00 C ATOM 553 O TRP A 36 6.939 0.203 -6.709 1.00 0.00 O ATOM 554 CB TRP A 36 8.000 2.913 -6.121 1.00 0.00 C ATOM 555 CG TRP A 36 8.397 4.215 -5.508 1.00 0.00 C ATOM 556 CD1 TRP A 36 7.565 5.198 -5.066 1.00 0.00 C ATOM 557 CD2 TRP A 36 9.732 4.678 -5.283 1.00 0.00 C ATOM 558 NE1 TRP A 36 8.302 6.251 -4.578 1.00 0.00 N ATOM 559 CE2 TRP A 36 9.634 5.956 -4.700 1.00 0.00 C ATOM 560 CE3 TRP A 36 10.999 4.137 -5.515 1.00 0.00 C ATOM 561 CZ2 TRP A 36 10.754 6.701 -4.348 1.00 0.00 C ATOM 562 CZ3 TRP A 36 12.110 4.878 -5.166 1.00 0.00 C ATOM 563 CH2 TRP A 36 11.982 6.148 -4.589 1.00 0.00 C ATOM 0 H TRP A 36 9.497 0.731 -5.591 1.00 0.00 H new ATOM 0 HA TRP A 36 7.364 2.212 -4.177 1.00 0.00 H new ATOM 0 HB2 TRP A 36 8.783 2.594 -6.809 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.098 3.063 -6.713 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.486 5.157 -5.095 1.00 0.00 H new ATOM 0 HE1 TRP A 36 7.919 7.112 -4.188 1.00 0.00 H new ATOM 0 HE3 TRP A 36 11.107 3.158 -5.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 10.658 7.680 -3.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 13.095 4.472 -5.341 1.00 0.00 H new ATOM 0 HH2 TRP A 36 12.872 6.702 -4.329 1.00 0.00 H new ATOM 574 N TYR A 37 5.596 0.689 -4.973 1.00 0.00 N ATOM 575 CA TYR A 37 4.559 -0.242 -5.402 1.00 0.00 C ATOM 576 C TYR A 37 3.287 0.460 -5.880 1.00 0.00 C ATOM 577 O TYR A 37 3.027 1.610 -5.503 1.00 0.00 O ATOM 578 CB TYR A 37 4.197 -1.200 -4.268 1.00 0.00 C ATOM 579 CG TYR A 37 5.089 -2.411 -4.150 1.00 0.00 C ATOM 580 CD1 TYR A 37 6.439 -2.352 -4.470 1.00 0.00 C ATOM 581 CD2 TYR A 37 4.574 -3.619 -3.701 1.00 0.00 C ATOM 582 CE1 TYR A 37 7.247 -3.466 -4.346 1.00 0.00 C ATOM 583 CE2 TYR A 37 5.375 -4.736 -3.575 1.00 0.00 C ATOM 584 CZ TYR A 37 6.711 -4.654 -3.898 1.00 0.00 C ATOM 585 OH TYR A 37 7.514 -5.763 -3.771 1.00 0.00 O ATOM 0 H TYR A 37 5.391 1.188 -4.107 1.00 0.00 H new ATOM 0 HA TYR A 37 4.976 -0.791 -6.246 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.226 -0.652 -3.326 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.170 -1.536 -4.410 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.863 -1.423 -4.821 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.527 -3.686 -3.445 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.295 -3.406 -4.599 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.957 -5.668 -3.225 1.00 0.00 H new ATOM 0 HH TYR A 37 6.981 -6.517 -3.442 1.00 0.00 H new ATOM 595 N ARG A 38 2.551 -0.196 -6.779 1.00 0.00 N ATOM 596 CA ARG A 38 1.318 0.367 -7.324 1.00 0.00 C ATOM 597 C ARG A 38 0.174 -0.287 -6.563 1.00 0.00 C ATOM 598 O ARG A 38 -0.216 -1.427 -6.838 1.00 0.00 O ATOM 599 CB ARG A 38 1.215 0.126 -8.834 1.00 0.00 C ATOM 600 CG ARG A 38 1.458 -1.324 -9.232 1.00 0.00 C ATOM 601 CD ARG A 38 1.753 -1.463 -10.716 1.00 0.00 C ATOM 602 NE ARG A 38 0.651 -0.976 -11.542 1.00 0.00 N ATOM 603 CZ ARG A 38 0.541 0.279 -11.973 1.00 0.00 C ATOM 604 NH1 ARG A 38 1.477 1.177 -11.682 1.00 0.00 N ATOM 605 NH2 ARG A 38 -0.503 0.632 -12.707 1.00 0.00 N ATOM 0 H ARG A 38 2.789 -1.118 -7.144 1.00 0.00 H new ATOM 0 HA ARG A 38 1.290 1.449 -7.199 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.225 0.428 -9.176 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.937 0.762 -9.346 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.294 -1.723 -8.657 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.582 -1.922 -8.978 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.660 -0.909 -10.959 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.946 -2.510 -10.950 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.079 -1.638 -11.805 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.287 0.907 -11.125 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.385 2.136 -12.016 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.219 -0.056 -12.940 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.591 1.592 -13.039 1.00 0.00 H new ATOM 619 N ALA A 39 -0.367 0.448 -5.599 1.00 0.00 N ATOM 620 CA ALA A 39 -1.463 -0.056 -4.790 1.00 0.00 C ATOM 621 C ALA A 39 -2.774 0.636 -5.132 1.00 0.00 C ATOM 622 O ALA A 39 -2.806 1.604 -5.893 1.00 0.00 O ATOM 623 CB ALA A 39 -1.151 0.067 -3.304 1.00 0.00 C ATOM 0 H ALA A 39 -0.064 1.392 -5.361 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.580 -1.115 -5.022 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.989 -0.318 -2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.254 -0.507 -3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.986 1.115 -3.052 1.00 0.00 H new ATOM 629 N GLU A 40 -3.846 0.123 -4.559 1.00 0.00 N ATOM 630 CA GLU A 40 -5.165 0.681 -4.792 1.00 0.00 C ATOM 631 C GLU A 40 -5.926 0.777 -3.473 1.00 0.00 C ATOM 632 O GLU A 40 -5.585 0.103 -2.500 1.00 0.00 O ATOM 633 CB GLU A 40 -5.923 -0.174 -5.815 1.00 0.00 C ATOM 634 CG GLU A 40 -5.918 -1.658 -5.503 1.00 0.00 C ATOM 635 CD GLU A 40 -6.870 -2.454 -6.387 1.00 0.00 C ATOM 636 OE1 GLU A 40 -6.967 -2.137 -7.587 1.00 0.00 O ATOM 637 OE2 GLU A 40 -7.515 -3.398 -5.879 1.00 0.00 O ATOM 0 H GLU A 40 -3.830 -0.679 -3.929 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.069 1.687 -5.201 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.955 0.172 -5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.483 -0.019 -6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.907 -2.046 -5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.192 -1.805 -4.458 1.00 0.00 H new ATOM 644 N LEU A 41 -6.893 1.682 -3.419 1.00 0.00 N ATOM 645 CA LEU A 41 -7.666 1.904 -2.200 1.00 0.00 C ATOM 646 C LEU A 41 -8.952 2.646 -2.529 1.00 0.00 C ATOM 647 O LEU A 41 -8.937 3.602 -3.302 1.00 0.00 O ATOM 648 CB LEU A 41 -6.846 2.696 -1.176 1.00 0.00 C ATOM 649 CG LEU A 41 -7.368 2.652 0.267 1.00 0.00 C ATOM 650 CD1 LEU A 41 -8.641 3.469 0.405 1.00 0.00 C ATOM 651 CD2 LEU A 41 -7.604 1.213 0.710 1.00 0.00 C ATOM 0 H LEU A 41 -7.163 2.275 -4.204 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.914 0.936 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.824 2.318 -1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.804 3.737 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.610 3.091 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.993 3.423 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.439 4.506 0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.406 3.065 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.974 1.204 1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.340 0.747 0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.667 0.658 0.657 1.00 0.00 H new ATOM 663 N ASP A 42 -10.057 2.224 -1.929 1.00 0.00 N ATOM 664 CA ASP A 42 -11.348 2.866 -2.152 1.00 0.00 C ATOM 665 C ASP A 42 -11.703 2.908 -3.640 1.00 0.00 C ATOM 666 O ASP A 42 -12.411 2.031 -4.138 1.00 0.00 O ATOM 667 CB ASP A 42 -11.340 4.281 -1.561 1.00 0.00 C ATOM 668 CG ASP A 42 -12.489 4.511 -0.601 1.00 0.00 C ATOM 669 OD1 ASP A 42 -12.486 3.894 0.484 1.00 0.00 O ATOM 670 OD2 ASP A 42 -13.390 5.308 -0.935 1.00 0.00 O ATOM 0 H ASP A 42 -10.086 1.437 -1.281 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.112 2.274 -1.648 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.397 4.450 -1.042 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.394 5.010 -2.369 1.00 0.00 H new ATOM 675 N GLY A 43 -11.215 3.926 -4.348 1.00 0.00 N ATOM 676 CA GLY A 43 -11.503 4.048 -5.762 1.00 0.00 C ATOM 677 C GLY A 43 -10.381 4.717 -6.531 1.00 0.00 C ATOM 678 O GLY A 43 -10.622 5.331 -7.570 1.00 0.00 O ATOM 0 H GLY A 43 -10.626 4.666 -3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.683 3.057 -6.179 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.421 4.621 -5.894 1.00 0.00 H new ATOM 682 N LYS A 44 -9.169 4.684 -5.985 1.00 0.00 N ATOM 683 CA LYS A 44 -8.034 5.352 -6.611 1.00 0.00 C ATOM 684 C LYS A 44 -6.797 4.457 -6.631 1.00 0.00 C ATOM 685 O LYS A 44 -6.441 3.853 -5.620 1.00 0.00 O ATOM 686 CB LYS A 44 -7.697 6.628 -5.835 1.00 0.00 C ATOM 687 CG LYS A 44 -7.426 6.387 -4.359 1.00 0.00 C ATOM 688 CD LYS A 44 -7.917 7.543 -3.500 1.00 0.00 C ATOM 689 CE LYS A 44 -7.033 8.770 -3.646 1.00 0.00 C ATOM 690 NZ LYS A 44 -7.588 9.950 -2.924 1.00 0.00 N ATOM 0 H LYS A 44 -8.948 4.203 -5.113 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.314 5.587 -7.638 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.822 7.097 -6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.523 7.333 -5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.917 5.466 -4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.356 6.247 -4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.939 7.796 -3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.941 7.235 -2.455 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.037 8.547 -3.263 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.921 9.012 -4.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.953 10.764 -3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.527 10.181 -3.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.671 9.730 -1.911 1.00 0.00 H new ATOM 704 N GLU A 45 -6.111 4.425 -7.767 1.00 0.00 N ATOM 705 CA GLU A 45 -4.884 3.649 -7.901 1.00 0.00 C ATOM 706 C GLU A 45 -3.689 4.590 -7.815 1.00 0.00 C ATOM 707 O GLU A 45 -3.629 5.558 -8.568 1.00 0.00 O ATOM 708 CB GLU A 45 -4.876 2.875 -9.221 1.00 0.00 C ATOM 709 CG GLU A 45 -4.967 3.761 -10.451 1.00 0.00 C ATOM 710 CD GLU A 45 -6.012 3.277 -11.437 1.00 0.00 C ATOM 711 OE1 GLU A 45 -7.205 3.239 -11.067 1.00 0.00 O ATOM 712 OE2 GLU A 45 -5.637 2.929 -12.576 1.00 0.00 O ATOM 0 H GLU A 45 -6.384 4.929 -8.611 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.825 2.920 -7.093 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.963 2.282 -9.278 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.712 2.175 -9.226 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.205 4.780 -10.145 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.995 3.795 -10.943 1.00 0.00 H new ATOM 719 N GLY A 46 -2.759 4.365 -6.890 1.00 0.00 N ATOM 720 CA GLY A 46 -1.653 5.302 -6.788 1.00 0.00 C ATOM 721 C GLY A 46 -0.303 4.718 -6.429 1.00 0.00 C ATOM 722 O GLY A 46 -0.152 3.509 -6.250 1.00 0.00 O ATOM 0 H GLY A 46 -2.747 3.584 -6.234 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.557 5.822 -7.741 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.910 6.052 -6.040 1.00 0.00 H new ATOM 726 N LEU A 47 0.675 5.610 -6.330 1.00 0.00 N ATOM 727 CA LEU A 47 2.034 5.221 -5.991 1.00 0.00 C ATOM 728 C LEU A 47 2.270 5.380 -4.491 1.00 0.00 C ATOM 729 O LEU A 47 1.787 6.339 -3.891 1.00 0.00 O ATOM 730 CB LEU A 47 3.037 6.100 -6.747 1.00 0.00 C ATOM 731 CG LEU A 47 3.767 5.416 -7.907 1.00 0.00 C ATOM 732 CD1 LEU A 47 3.244 5.926 -9.246 1.00 0.00 C ATOM 733 CD2 LEU A 47 5.267 5.643 -7.788 1.00 0.00 C ATOM 0 H LEU A 47 0.549 6.611 -6.481 1.00 0.00 H new ATOM 0 HA LEU A 47 2.173 4.178 -6.274 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.510 6.972 -7.135 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.780 6.466 -6.038 1.00 0.00 H new ATOM 0 HG LEU A 47 3.575 4.344 -7.858 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.775 5.428 -10.057 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.178 5.713 -9.325 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.405 7.002 -9.313 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.776 5.152 -8.618 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.476 6.712 -7.815 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.624 5.227 -6.846 1.00 0.00 H new ATOM 745 N ILE A 48 3.018 4.466 -3.879 1.00 0.00 N ATOM 746 CA ILE A 48 3.292 4.581 -2.443 1.00 0.00 C ATOM 747 C ILE A 48 4.563 3.849 -2.003 1.00 0.00 C ATOM 748 O ILE A 48 5.026 2.930 -2.680 1.00 0.00 O ATOM 749 CB ILE A 48 2.110 4.061 -1.586 1.00 0.00 C ATOM 750 CG1 ILE A 48 1.492 2.783 -2.202 1.00 0.00 C ATOM 751 CG2 ILE A 48 1.078 5.166 -1.378 1.00 0.00 C ATOM 752 CD1 ILE A 48 0.172 2.978 -2.931 1.00 0.00 C ATOM 0 H ILE A 48 3.437 3.657 -4.337 1.00 0.00 H new ATOM 0 HA ILE A 48 3.435 5.649 -2.277 1.00 0.00 H new ATOM 0 HB ILE A 48 2.487 3.779 -0.603 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.211 2.353 -2.899 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.343 2.053 -1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.254 4.785 -0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.544 6.008 -0.866 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.697 5.495 -2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.172 2.021 -3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.571 3.375 -2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.311 3.679 -3.754 1.00 0.00 H new ATOM 764 N PRO A 49 5.039 4.138 -0.766 1.00 0.00 N ATOM 765 CA PRO A 49 6.196 3.469 -0.166 1.00 0.00 C ATOM 766 C PRO A 49 5.878 2.054 0.292 1.00 0.00 C ATOM 767 O PRO A 49 5.202 1.855 1.301 1.00 0.00 O ATOM 768 CB PRO A 49 6.557 4.354 1.043 1.00 0.00 C ATOM 769 CG PRO A 49 5.633 5.531 0.988 1.00 0.00 C ATOM 770 CD PRO A 49 4.452 5.099 0.170 1.00 0.00 C ATOM 0 HA PRO A 49 7.009 3.362 -0.885 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.435 3.806 1.977 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.598 4.673 0.995 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.324 5.830 1.990 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.126 6.392 0.536 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.678 4.642 0.787 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.991 5.939 -0.349 1.00 0.00 H new ATOM 778 N SER A 50 6.277 1.079 -0.515 1.00 0.00 N ATOM 779 CA SER A 50 5.982 -0.313 -0.184 1.00 0.00 C ATOM 780 C SER A 50 6.541 -0.678 1.208 1.00 0.00 C ATOM 781 O SER A 50 6.282 -1.762 1.722 1.00 0.00 O ATOM 782 CB SER A 50 6.539 -1.251 -1.261 1.00 0.00 C ATOM 783 OG SER A 50 6.128 -2.587 -1.055 1.00 0.00 O ATOM 0 H SER A 50 6.794 1.218 -1.384 1.00 0.00 H new ATOM 0 HA SER A 50 4.899 -0.435 -0.152 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.206 -0.915 -2.243 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.628 -1.201 -1.259 1.00 0.00 H new ATOM 0 HG SER A 50 5.710 -2.931 -1.872 1.00 0.00 H new ATOM 789 N ASN A 51 7.322 0.232 1.796 1.00 0.00 N ATOM 790 CA ASN A 51 7.940 0.007 3.104 1.00 0.00 C ATOM 791 C ASN A 51 6.979 0.179 4.300 1.00 0.00 C ATOM 792 O ASN A 51 7.324 -0.210 5.413 1.00 0.00 O ATOM 793 CB ASN A 51 9.105 0.988 3.262 1.00 0.00 C ATOM 794 CG ASN A 51 10.422 0.411 2.779 1.00 0.00 C ATOM 795 OD1 ASN A 51 10.797 0.579 1.616 1.00 0.00 O ATOM 796 ND2 ASN A 51 11.132 -0.274 3.669 1.00 0.00 N ATOM 0 H ASN A 51 7.542 1.138 1.382 1.00 0.00 H new ATOM 0 HA ASN A 51 8.266 -1.033 3.122 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.886 1.899 2.706 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.199 1.270 4.311 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.026 -0.686 3.401 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.783 -0.388 4.621 1.00 0.00 H new ATOM 803 N TYR A 52 5.777 0.735 4.092 1.00 0.00 N ATOM 804 CA TYR A 52 4.830 0.905 5.209 1.00 0.00 C ATOM 805 C TYR A 52 3.829 -0.248 5.279 1.00 0.00 C ATOM 806 O TYR A 52 2.994 -0.317 6.200 1.00 0.00 O ATOM 807 CB TYR A 52 4.095 2.254 5.130 1.00 0.00 C ATOM 808 CG TYR A 52 3.184 2.451 3.927 1.00 0.00 C ATOM 809 CD1 TYR A 52 2.248 1.496 3.556 1.00 0.00 C ATOM 810 CD2 TYR A 52 3.229 3.624 3.191 1.00 0.00 C ATOM 811 CE1 TYR A 52 1.393 1.693 2.489 1.00 0.00 C ATOM 812 CE2 TYR A 52 2.371 3.829 2.126 1.00 0.00 C ATOM 813 CZ TYR A 52 1.460 2.864 1.780 1.00 0.00 C ATOM 814 OH TYR A 52 0.612 3.072 0.718 1.00 0.00 O ATOM 0 H TYR A 52 5.441 1.067 3.188 1.00 0.00 H new ATOM 0 HA TYR A 52 5.419 0.896 6.126 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.499 2.373 6.035 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.839 3.051 5.131 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.186 0.575 4.116 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.945 4.389 3.453 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.678 0.931 2.216 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.418 4.751 1.566 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.091 3.703 0.979 1.00 0.00 H new ATOM 824 N ILE A 53 4.030 -1.222 4.395 1.00 0.00 N ATOM 825 CA ILE A 53 3.227 -2.433 4.335 1.00 0.00 C ATOM 826 C ILE A 53 4.094 -3.657 4.453 1.00 0.00 C ATOM 827 O ILE A 53 5.304 -3.621 4.229 1.00 0.00 O ATOM 828 CB ILE A 53 2.518 -2.558 2.962 1.00 0.00 C ATOM 829 CG1 ILE A 53 3.440 -2.100 1.833 1.00 0.00 C ATOM 830 CG2 ILE A 53 1.229 -1.786 2.938 1.00 0.00 C ATOM 831 CD1 ILE A 53 3.400 -2.999 0.616 1.00 0.00 C ATOM 0 H ILE A 53 4.767 -1.188 3.691 1.00 0.00 H new ATOM 0 HA ILE A 53 2.510 -2.367 5.153 1.00 0.00 H new ATOM 0 HB ILE A 53 2.279 -3.610 2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.163 -1.088 1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.463 -2.054 2.207 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.758 -1.895 1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.560 -2.170 3.708 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.433 -0.732 3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.079 -2.613 -0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.706 -4.006 0.898 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.386 -3.026 0.217 1.00 0.00 H new ATOM 843 N GLU A 54 3.434 -4.754 4.787 1.00 0.00 N ATOM 844 CA GLU A 54 4.038 -6.052 4.925 1.00 0.00 C ATOM 845 C GLU A 54 3.093 -7.095 4.351 1.00 0.00 C ATOM 846 O GLU A 54 1.874 -7.020 4.571 1.00 0.00 O ATOM 847 CB GLU A 54 4.298 -6.404 6.389 1.00 0.00 C ATOM 848 CG GLU A 54 5.503 -5.695 6.986 1.00 0.00 C ATOM 849 CD GLU A 54 5.156 -4.900 8.230 1.00 0.00 C ATOM 850 OE1 GLU A 54 3.981 -4.504 8.374 1.00 0.00 O ATOM 851 OE2 GLU A 54 6.060 -4.676 9.063 1.00 0.00 O ATOM 0 H GLU A 54 2.431 -4.756 4.974 1.00 0.00 H new ATOM 0 HA GLU A 54 4.991 -6.037 4.395 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.414 -6.154 6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.443 -7.481 6.474 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.268 -6.432 7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.932 -5.026 6.240 1.00 0.00 H new ATOM 858 N MET A 55 3.633 -8.074 3.654 1.00 0.00 N ATOM 859 CA MET A 55 2.813 -9.118 3.055 1.00 0.00 C ATOM 860 C MET A 55 2.260 -10.108 4.091 1.00 0.00 C ATOM 861 O MET A 55 3.026 -10.772 4.785 1.00 0.00 O ATOM 862 CB MET A 55 3.619 -9.872 1.990 1.00 0.00 C ATOM 863 CG MET A 55 4.651 -9.014 1.265 1.00 0.00 C ATOM 864 SD MET A 55 6.325 -9.220 1.915 1.00 0.00 S ATOM 865 CE MET A 55 6.634 -10.951 1.570 1.00 0.00 C ATOM 0 H MET A 55 4.634 -8.172 3.486 1.00 0.00 H new ATOM 0 HA MET A 55 1.957 -8.625 2.595 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.128 -10.712 2.463 1.00 0.00 H new ATOM 0 HB3 MET A 55 2.930 -10.289 1.256 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.645 -9.267 0.205 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.363 -7.966 1.344 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.702 -11.107 1.420 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.293 -11.556 2.410 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.095 -11.244 0.669 1.00 0.00 H new ATOM 875 N LYS A 56 0.933 -10.261 4.100 1.00 0.00 N ATOM 876 CA LYS A 56 0.196 -11.232 4.931 1.00 0.00 C ATOM 877 C LYS A 56 0.896 -11.837 6.156 1.00 0.00 C ATOM 878 O LYS A 56 2.064 -12.215 6.104 1.00 0.00 O ATOM 879 CB LYS A 56 -0.162 -12.408 4.028 1.00 0.00 C ATOM 880 CG LYS A 56 1.042 -13.006 3.323 1.00 0.00 C ATOM 881 CD LYS A 56 0.677 -14.266 2.556 1.00 0.00 C ATOM 882 CE LYS A 56 0.842 -14.070 1.056 1.00 0.00 C ATOM 883 NZ LYS A 56 -0.337 -14.562 0.291 1.00 0.00 N ATOM 0 H LYS A 56 0.318 -9.698 3.513 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.630 -10.651 5.341 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.648 -13.181 4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.886 -12.079 3.282 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.463 -12.272 2.637 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.815 -13.237 4.056 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.307 -15.091 2.888 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.354 -14.543 2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.994 -13.012 0.844 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.736 -14.594 0.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.180 -14.408 -0.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.468 -15.578 0.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.187 -14.044 0.592 1.00 0.00 H new