USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 495 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 THR OG1 : rot -87:sc= 1.2 USER MOD Set 1.2: A 76 ASN :FLIP amide:sc= 1.06 F(o=0.55,f=2.3) USER MOD Single : A 28 CYS SG : rot 24:sc= 0.199 USER MOD Single : A 34 HIS :FLIP no HD1:sc= -0.0161 F(o=-0.81,f=-0.016) USER MOD Single : A 35 THR OG1 : rot -61:sc= -1.21 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 136:sc= 1.18 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -2.72 USER MOD Single : A 60 LYS NZ :NH3+ 159:sc= -0.0652 (180deg=-0.578) USER MOD Single : A 61 THR OG1 : rot -99:sc= 1.23 USER MOD Single : A 63 MET CE :methyl 155:sc= -0.116 (180deg=-0.859) USER MOD Single : A 65 MET CE :methyl 175:sc= -0.633 (180deg=-0.7) USER MOD Single : A 69 MET CE :methyl 155:sc= -0.141 (180deg=-0.962) USER MOD Single : A 71 ASN : amide:sc= -0.25 K(o=-0.25,f=-1.6!) USER MOD Single : A 72 ASN : amide:sc= -0.0127 K(o=-0.013,f=-1.5!) USER MOD Single : A 73 LYS NZ :NH3+ 162:sc= -0.0467 (180deg=-0.47) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 4.100 2.159 -5.598 1.00 0.00 N ATOM 2 CA GLY A 25 4.654 3.199 -4.685 1.00 0.00 C ATOM 3 C GLY A 25 5.843 2.625 -3.926 1.00 0.00 C ATOM 4 O GLY A 25 5.742 2.296 -2.744 1.00 0.00 O ATOM 0 HA2 GLY A 25 4.962 4.074 -5.257 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.887 3.530 -3.985 1.00 0.00 H new ATOM 7 N PRO A 26 6.962 2.500 -4.584 1.00 0.00 N ATOM 8 CA PRO A 26 8.208 1.952 -3.969 1.00 0.00 C ATOM 9 C PRO A 26 8.658 2.769 -2.760 1.00 0.00 C ATOM 10 O PRO A 26 8.490 3.988 -2.724 1.00 0.00 O ATOM 11 CB PRO A 26 9.242 2.038 -5.097 1.00 0.00 C ATOM 12 CG PRO A 26 8.446 2.114 -6.356 1.00 0.00 C ATOM 13 CD PRO A 26 7.167 2.865 -5.992 1.00 0.00 C ATOM 0 HA PRO A 26 8.065 0.939 -3.593 1.00 0.00 H new ATOM 0 HB2 PRO A 26 9.879 2.915 -4.981 1.00 0.00 H new ATOM 0 HB3 PRO A 26 9.897 1.167 -5.098 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.998 2.637 -7.137 1.00 0.00 H new ATOM 0 HG3 PRO A 26 8.220 1.118 -6.737 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.281 3.942 -6.118 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.327 2.558 -6.615 1.00 0.00 H new ATOM 21 N PHE A 27 9.227 2.087 -1.771 1.00 0.00 N ATOM 22 CA PHE A 27 9.694 2.759 -0.564 1.00 0.00 C ATOM 23 C PHE A 27 11.194 2.554 -0.382 1.00 0.00 C ATOM 24 O PHE A 27 11.742 1.524 -0.774 1.00 0.00 O ATOM 25 CB PHE A 27 8.954 2.213 0.660 1.00 0.00 C ATOM 26 CG PHE A 27 7.481 2.521 0.537 1.00 0.00 C ATOM 27 CD1 PHE A 27 6.588 1.525 0.127 1.00 0.00 C ATOM 28 CD2 PHE A 27 7.010 3.806 0.834 1.00 0.00 C ATOM 29 CE1 PHE A 27 5.222 1.813 0.015 1.00 0.00 C ATOM 30 CE2 PHE A 27 5.645 4.094 0.720 1.00 0.00 C ATOM 31 CZ PHE A 27 4.750 3.097 0.311 1.00 0.00 C ATOM 0 H PHE A 27 9.375 1.078 -1.781 1.00 0.00 H new ATOM 0 HA PHE A 27 9.492 3.825 -0.666 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.106 1.137 0.740 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.355 2.660 1.570 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.952 0.535 -0.103 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.700 4.574 1.151 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.532 1.044 -0.300 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.282 5.085 0.947 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.697 3.319 0.224 1.00 0.00 H new ATOM 41 N CYS A 28 11.856 3.546 0.207 1.00 0.00 N ATOM 42 CA CYS A 28 13.295 3.464 0.426 1.00 0.00 C ATOM 43 C CYS A 28 13.626 3.677 1.900 1.00 0.00 C ATOM 44 O CYS A 28 12.916 4.391 2.610 1.00 0.00 O ATOM 45 CB CYS A 28 14.011 4.527 -0.410 1.00 0.00 C ATOM 46 SG CYS A 28 13.455 6.173 0.099 1.00 0.00 S ATOM 0 H CYS A 28 11.423 4.408 0.538 1.00 0.00 H new ATOM 0 HA CYS A 28 13.632 2.472 0.126 1.00 0.00 H new ATOM 0 HB2 CYS A 28 15.090 4.440 -0.281 1.00 0.00 H new ATOM 0 HB3 CYS A 28 13.803 4.373 -1.469 1.00 0.00 H new ATOM 0 HG CYS A 28 13.009 6.122 1.319 1.00 0.00 H new ATOM 52 N GLY A 29 14.699 3.043 2.357 1.00 0.00 N ATOM 53 CA GLY A 29 15.107 3.159 3.752 1.00 0.00 C ATOM 54 C GLY A 29 16.224 2.173 4.077 1.00 0.00 C ATOM 55 O GLY A 29 17.047 1.847 3.220 1.00 0.00 O ATOM 0 H GLY A 29 15.299 2.447 1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.444 4.176 3.953 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.252 2.973 4.402 1.00 0.00 H new ATOM 59 N ARG A 30 16.246 1.697 5.319 1.00 0.00 N ATOM 60 CA ARG A 30 17.264 0.744 5.743 1.00 0.00 C ATOM 61 C ARG A 30 16.633 -0.613 6.042 1.00 0.00 C ATOM 62 O ARG A 30 15.532 -0.693 6.587 1.00 0.00 O ATOM 63 CB ARG A 30 17.978 1.263 6.992 1.00 0.00 C ATOM 64 CG ARG A 30 19.169 2.127 6.576 1.00 0.00 C ATOM 65 CD ARG A 30 18.668 3.493 6.107 1.00 0.00 C ATOM 66 NE ARG A 30 19.793 4.406 5.932 1.00 0.00 N ATOM 67 CZ ARG A 30 20.353 5.017 6.973 1.00 0.00 C ATOM 68 NH1 ARG A 30 19.902 4.807 8.183 1.00 0.00 N ATOM 69 NH2 ARG A 30 21.358 5.831 6.787 1.00 0.00 N ATOM 0 H ARG A 30 15.576 1.954 6.044 1.00 0.00 H new ATOM 0 HA ARG A 30 17.986 0.628 4.935 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.288 1.845 7.603 1.00 0.00 H new ATOM 0 HB3 ARG A 30 18.317 0.427 7.604 1.00 0.00 H new ATOM 0 HG2 ARG A 30 19.855 2.248 7.414 1.00 0.00 H new ATOM 0 HG3 ARG A 30 19.725 1.638 5.777 1.00 0.00 H new ATOM 0 HD2 ARG A 30 18.126 3.387 5.167 1.00 0.00 H new ATOM 0 HD3 ARG A 30 17.967 3.902 6.835 1.00 0.00 H new ATOM 0 HE ARG A 30 20.157 4.579 4.995 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.117 4.172 8.332 1.00 0.00 H new ATOM 0 HH12 ARG A 30 20.335 5.278 8.978 1.00 0.00 H new ATOM 0 HH21 ARG A 30 21.712 5.997 5.845 1.00 0.00 H new ATOM 0 HH22 ARG A 30 21.788 6.300 7.584 1.00 0.00 H new ATOM 83 N ALA A 31 17.337 -1.681 5.680 1.00 0.00 N ATOM 84 CA ALA A 31 16.835 -3.030 5.912 1.00 0.00 C ATOM 85 C ALA A 31 17.761 -3.794 6.854 1.00 0.00 C ATOM 86 O ALA A 31 18.975 -3.824 6.655 1.00 0.00 O ATOM 87 CB ALA A 31 16.724 -3.778 4.580 1.00 0.00 C ATOM 0 H ALA A 31 18.250 -1.639 5.228 1.00 0.00 H new ATOM 0 HA ALA A 31 15.850 -2.959 6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.348 -4.786 4.759 1.00 0.00 H new ATOM 0 HB2 ALA A 31 16.038 -3.247 3.920 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.707 -3.835 4.112 1.00 0.00 H new ATOM 93 N ARG A 32 17.177 -4.417 7.875 1.00 0.00 N ATOM 94 CA ARG A 32 17.959 -5.184 8.834 1.00 0.00 C ATOM 95 C ARG A 32 17.940 -6.668 8.477 1.00 0.00 C ATOM 96 O ARG A 32 16.878 -7.284 8.399 1.00 0.00 O ATOM 97 CB ARG A 32 17.394 -4.989 10.241 1.00 0.00 C ATOM 98 CG ARG A 32 18.201 -5.825 11.234 1.00 0.00 C ATOM 99 CD ARG A 32 17.796 -5.453 12.658 1.00 0.00 C ATOM 100 NE ARG A 32 18.266 -4.112 12.987 1.00 0.00 N ATOM 101 CZ ARG A 32 18.024 -3.570 14.178 1.00 0.00 C ATOM 102 NH1 ARG A 32 17.355 -4.238 15.082 1.00 0.00 N ATOM 103 NH2 ARG A 32 18.458 -2.368 14.446 1.00 0.00 N ATOM 0 H ARG A 32 16.173 -4.405 8.057 1.00 0.00 H new ATOM 0 HA ARG A 32 18.989 -4.828 8.803 1.00 0.00 H new ATOM 0 HB2 ARG A 32 17.435 -3.936 10.518 1.00 0.00 H new ATOM 0 HB3 ARG A 32 16.345 -5.285 10.268 1.00 0.00 H new ATOM 0 HG2 ARG A 32 18.025 -6.886 11.060 1.00 0.00 H new ATOM 0 HG3 ARG A 32 19.267 -5.651 11.090 1.00 0.00 H new ATOM 0 HD2 ARG A 32 16.712 -5.500 12.758 1.00 0.00 H new ATOM 0 HD3 ARG A 32 18.213 -6.174 13.361 1.00 0.00 H new ATOM 0 HE ARG A 32 18.790 -3.580 12.292 1.00 0.00 H new ATOM 0 HH11 ARG A 32 17.017 -5.178 14.875 1.00 0.00 H new ATOM 0 HH12 ARG A 32 17.172 -3.819 15.994 1.00 0.00 H new ATOM 0 HH21 ARG A 32 18.981 -1.846 13.743 1.00 0.00 H new ATOM 0 HH22 ARG A 32 18.274 -1.951 15.358 1.00 0.00 H new ATOM 117 N VAL A 33 19.124 -7.233 8.259 1.00 0.00 N ATOM 118 CA VAL A 33 19.232 -8.644 7.908 1.00 0.00 C ATOM 119 C VAL A 33 19.183 -9.511 9.161 1.00 0.00 C ATOM 120 O VAL A 33 19.922 -9.282 10.116 1.00 0.00 O ATOM 121 CB VAL A 33 20.540 -8.894 7.155 1.00 0.00 C ATOM 122 CG1 VAL A 33 20.712 -10.392 6.918 1.00 0.00 C ATOM 123 CG2 VAL A 33 20.501 -8.171 5.806 1.00 0.00 C ATOM 0 H VAL A 33 20.015 -6.740 8.319 1.00 0.00 H new ATOM 0 HA VAL A 33 18.391 -8.909 7.267 1.00 0.00 H new ATOM 0 HB VAL A 33 21.375 -8.518 7.747 1.00 0.00 H new ATOM 0 HG11 VAL A 33 21.644 -10.571 6.381 1.00 0.00 H new ATOM 0 HG12 VAL A 33 20.739 -10.911 7.876 1.00 0.00 H new ATOM 0 HG13 VAL A 33 19.876 -10.765 6.327 1.00 0.00 H new ATOM 0 HG21 VAL A 33 21.433 -8.350 5.270 1.00 0.00 H new ATOM 0 HG22 VAL A 33 19.665 -8.547 5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.376 -7.101 5.970 1.00 0.00 H new ATOM 133 N HIS A 34 18.312 -10.515 9.144 1.00 0.00 N ATOM 134 CA HIS A 34 18.182 -11.420 10.279 1.00 0.00 C ATOM 135 C HIS A 34 18.654 -12.826 9.914 1.00 0.00 C ATOM 136 O HIS A 34 18.471 -13.771 10.681 1.00 0.00 O ATOM 137 CB HIS A 34 16.724 -11.470 10.736 1.00 0.00 C ATOM 138 CG HIS A 34 16.287 -10.097 11.167 1.00 0.00 C ATOM 139 ND1 HIS A 34 15.426 -9.188 10.603 1.00 0.00 N flip ATOM 140 CD2 HIS A 34 16.754 -9.506 12.330 1.00 0.00 C flip ATOM 141 CE1 HIS A 34 15.358 -8.050 11.402 1.00 0.00 C flip ATOM 142 NE2 HIS A 34 16.177 -8.294 12.429 1.00 0.00 N flip ATOM 0 H HIS A 34 17.690 -10.721 8.362 1.00 0.00 H new ATOM 0 HA HIS A 34 18.808 -11.046 11.089 1.00 0.00 H new ATOM 0 HB2 HIS A 34 16.089 -11.827 9.925 1.00 0.00 H new ATOM 0 HB3 HIS A 34 16.614 -12.174 11.561 1.00 0.00 H new ATOM 0 HD2 HIS A 34 17.454 -9.939 13.030 1.00 0.00 H new ATOM 0 HE1 HIS A 34 14.770 -7.161 11.229 1.00 0.00 H new ATOM 0 HE2 HIS A 34 16.345 -7.641 13.195 1.00 0.00 H new ATOM 150 N THR A 35 19.255 -12.959 8.733 1.00 0.00 N ATOM 151 CA THR A 35 19.740 -14.251 8.274 1.00 0.00 C ATOM 152 C THR A 35 21.119 -14.115 7.637 1.00 0.00 C ATOM 153 O THR A 35 21.572 -13.015 7.345 1.00 0.00 O ATOM 154 CB THR A 35 18.761 -14.843 7.257 1.00 0.00 C ATOM 155 OG1 THR A 35 18.681 -13.988 6.128 1.00 0.00 O ATOM 156 CG2 THR A 35 17.379 -14.983 7.895 1.00 0.00 C ATOM 0 H THR A 35 19.415 -12.190 8.082 1.00 0.00 H new ATOM 0 HA THR A 35 19.817 -14.915 9.135 1.00 0.00 H new ATOM 0 HB THR A 35 19.112 -15.826 6.944 1.00 0.00 H new ATOM 0 HG1 THR A 35 18.344 -13.110 6.405 1.00 0.00 H new ATOM 0 HG21 THR A 35 16.684 -15.405 7.169 1.00 0.00 H new ATOM 0 HG22 THR A 35 17.443 -15.642 8.761 1.00 0.00 H new ATOM 0 HG23 THR A 35 17.023 -14.002 8.211 1.00 0.00 H new ATOM 164 N ASP A 36 21.783 -15.243 7.424 1.00 0.00 N ATOM 165 CA ASP A 36 23.108 -15.232 6.816 1.00 0.00 C ATOM 166 C ASP A 36 23.044 -15.782 5.393 1.00 0.00 C ATOM 167 O ASP A 36 22.928 -16.991 5.188 1.00 0.00 O ATOM 168 CB ASP A 36 24.073 -16.078 7.650 1.00 0.00 C ATOM 169 CG ASP A 36 23.367 -17.335 8.148 1.00 0.00 C ATOM 170 OD1 ASP A 36 22.527 -17.212 9.024 1.00 0.00 O ATOM 171 OD2 ASP A 36 23.677 -18.402 7.645 1.00 0.00 O ATOM 0 H ASP A 36 21.430 -16.170 7.661 1.00 0.00 H new ATOM 0 HA ASP A 36 23.466 -14.203 6.782 1.00 0.00 H new ATOM 0 HB2 ASP A 36 24.941 -16.352 7.050 1.00 0.00 H new ATOM 0 HB3 ASP A 36 24.440 -15.498 8.496 1.00 0.00 H new ATOM 176 N PHE A 37 23.125 -14.885 4.413 1.00 0.00 N ATOM 177 CA PHE A 37 23.078 -15.293 3.012 1.00 0.00 C ATOM 178 C PHE A 37 24.368 -14.908 2.297 1.00 0.00 C ATOM 179 O PHE A 37 24.712 -13.729 2.215 1.00 0.00 O ATOM 180 CB PHE A 37 21.883 -14.636 2.319 1.00 0.00 C ATOM 181 CG PHE A 37 21.892 -14.993 0.853 1.00 0.00 C ATOM 182 CD1 PHE A 37 22.142 -16.312 0.457 1.00 0.00 C ATOM 183 CD2 PHE A 37 21.649 -14.005 -0.112 1.00 0.00 C ATOM 184 CE1 PHE A 37 22.148 -16.646 -0.902 1.00 0.00 C ATOM 185 CE2 PHE A 37 21.656 -14.339 -1.470 1.00 0.00 C ATOM 186 CZ PHE A 37 21.907 -15.659 -1.866 1.00 0.00 C ATOM 0 H PHE A 37 23.223 -13.881 4.561 1.00 0.00 H new ATOM 0 HA PHE A 37 22.968 -16.377 2.970 1.00 0.00 H new ATOM 0 HB2 PHE A 37 20.953 -14.970 2.780 1.00 0.00 H new ATOM 0 HB3 PHE A 37 21.928 -13.554 2.441 1.00 0.00 H new ATOM 0 HD1 PHE A 37 22.330 -17.072 1.201 1.00 0.00 H new ATOM 0 HD2 PHE A 37 21.457 -12.987 0.193 1.00 0.00 H new ATOM 0 HE1 PHE A 37 22.338 -17.664 -1.207 1.00 0.00 H new ATOM 0 HE2 PHE A 37 21.468 -13.579 -2.214 1.00 0.00 H new ATOM 0 HZ PHE A 37 21.915 -15.916 -2.915 1.00 0.00 H new ATOM 196 N THR A 38 25.075 -15.909 1.782 1.00 0.00 N ATOM 197 CA THR A 38 26.327 -15.658 1.082 1.00 0.00 C ATOM 198 C THR A 38 26.252 -16.171 -0.354 1.00 0.00 C ATOM 199 O THR A 38 25.510 -17.111 -0.648 1.00 0.00 O ATOM 200 CB THR A 38 27.483 -16.347 1.811 1.00 0.00 C ATOM 201 OG1 THR A 38 27.251 -17.749 1.842 1.00 0.00 O ATOM 202 CG2 THR A 38 27.578 -15.812 3.241 1.00 0.00 C ATOM 0 H THR A 38 24.805 -16.891 1.836 1.00 0.00 H new ATOM 0 HA THR A 38 26.499 -14.582 1.064 1.00 0.00 H new ATOM 0 HB THR A 38 28.417 -16.144 1.287 1.00 0.00 H new ATOM 0 HG1 THR A 38 27.991 -18.193 2.307 1.00 0.00 H new ATOM 0 HG21 THR A 38 28.401 -16.303 3.759 1.00 0.00 H new ATOM 0 HG22 THR A 38 27.755 -14.737 3.216 1.00 0.00 H new ATOM 0 HG23 THR A 38 26.645 -16.014 3.768 1.00 0.00 H new ATOM 210 N PRO A 39 27.000 -15.572 -1.245 1.00 0.00 N ATOM 211 CA PRO A 39 27.018 -15.968 -2.677 1.00 0.00 C ATOM 212 C PRO A 39 27.811 -17.247 -2.916 1.00 0.00 C ATOM 213 O PRO A 39 28.730 -17.568 -2.164 1.00 0.00 O ATOM 214 CB PRO A 39 27.678 -14.772 -3.366 1.00 0.00 C ATOM 215 CG PRO A 39 28.559 -14.154 -2.332 1.00 0.00 C ATOM 216 CD PRO A 39 27.917 -14.452 -0.974 1.00 0.00 C ATOM 0 HA PRO A 39 26.020 -16.190 -3.056 1.00 0.00 H new ATOM 0 HB2 PRO A 39 28.255 -15.089 -4.235 1.00 0.00 H new ATOM 0 HB3 PRO A 39 26.931 -14.062 -3.721 1.00 0.00 H new ATOM 0 HG2 PRO A 39 29.566 -14.568 -2.384 1.00 0.00 H new ATOM 0 HG3 PRO A 39 28.648 -13.079 -2.491 1.00 0.00 H new ATOM 0 HD2 PRO A 39 28.666 -14.722 -0.230 1.00 0.00 H new ATOM 0 HD3 PRO A 39 27.382 -13.584 -0.587 1.00 0.00 H new ATOM 224 N SER A 40 27.458 -17.964 -3.976 1.00 0.00 N ATOM 225 CA SER A 40 28.150 -19.195 -4.317 1.00 0.00 C ATOM 226 C SER A 40 29.531 -18.890 -4.891 1.00 0.00 C ATOM 227 O SER A 40 29.775 -17.801 -5.410 1.00 0.00 O ATOM 228 CB SER A 40 27.339 -19.997 -5.336 1.00 0.00 C ATOM 229 OG SER A 40 26.164 -20.490 -4.710 1.00 0.00 O ATOM 0 H SER A 40 26.700 -17.713 -4.610 1.00 0.00 H new ATOM 0 HA SER A 40 28.265 -19.784 -3.407 1.00 0.00 H new ATOM 0 HB2 SER A 40 27.076 -19.368 -6.186 1.00 0.00 H new ATOM 0 HB3 SER A 40 27.934 -20.824 -5.723 1.00 0.00 H new ATOM 0 HG SER A 40 25.639 -21.004 -5.359 1.00 0.00 H new ATOM 235 N PRO A 41 30.430 -19.827 -4.811 1.00 0.00 N ATOM 236 CA PRO A 41 31.824 -19.661 -5.329 1.00 0.00 C ATOM 237 C PRO A 41 31.844 -19.236 -6.793 1.00 0.00 C ATOM 238 O PRO A 41 32.658 -18.404 -7.198 1.00 0.00 O ATOM 239 CB PRO A 41 32.445 -21.057 -5.161 1.00 0.00 C ATOM 240 CG PRO A 41 31.299 -21.982 -4.911 1.00 0.00 C ATOM 241 CD PRO A 41 30.235 -21.154 -4.217 1.00 0.00 C ATOM 0 HA PRO A 41 32.367 -18.880 -4.796 1.00 0.00 H new ATOM 0 HB2 PRO A 41 32.997 -21.350 -6.054 1.00 0.00 H new ATOM 0 HB3 PRO A 41 33.150 -21.074 -4.330 1.00 0.00 H new ATOM 0 HG2 PRO A 41 30.922 -22.397 -5.846 1.00 0.00 H new ATOM 0 HG3 PRO A 41 31.605 -22.823 -4.289 1.00 0.00 H new ATOM 0 HD2 PRO A 41 29.233 -21.540 -4.405 1.00 0.00 H new ATOM 0 HD3 PRO A 41 30.373 -21.139 -3.136 1.00 0.00 H new ATOM 249 N TYR A 42 30.942 -19.802 -7.584 1.00 0.00 N ATOM 250 CA TYR A 42 30.859 -19.462 -9.000 1.00 0.00 C ATOM 251 C TYR A 42 29.843 -18.340 -9.221 1.00 0.00 C ATOM 252 O TYR A 42 29.565 -17.958 -10.359 1.00 0.00 O ATOM 253 CB TYR A 42 30.445 -20.690 -9.814 1.00 0.00 C ATOM 254 CG TYR A 42 29.116 -21.204 -9.314 1.00 0.00 C ATOM 255 CD1 TYR A 42 27.924 -20.668 -9.817 1.00 0.00 C ATOM 256 CD2 TYR A 42 29.075 -22.216 -8.347 1.00 0.00 C ATOM 257 CE1 TYR A 42 26.693 -21.145 -9.354 1.00 0.00 C ATOM 258 CE2 TYR A 42 27.842 -22.692 -7.884 1.00 0.00 C ATOM 259 CZ TYR A 42 26.652 -22.156 -8.388 1.00 0.00 C ATOM 260 OH TYR A 42 25.437 -22.625 -7.931 1.00 0.00 O ATOM 0 H TYR A 42 30.261 -20.495 -7.273 1.00 0.00 H new ATOM 0 HA TYR A 42 31.841 -19.124 -9.330 1.00 0.00 H new ATOM 0 HB2 TYR A 42 30.372 -20.431 -10.870 1.00 0.00 H new ATOM 0 HB3 TYR A 42 31.203 -21.468 -9.728 1.00 0.00 H new ATOM 0 HD1 TYR A 42 27.955 -19.887 -10.562 1.00 0.00 H new ATOM 0 HD2 TYR A 42 29.994 -22.629 -7.958 1.00 0.00 H new ATOM 0 HE1 TYR A 42 25.774 -20.732 -9.743 1.00 0.00 H new ATOM 0 HE2 TYR A 42 27.810 -23.472 -7.138 1.00 0.00 H new ATOM 0 HH TYR A 42 25.587 -23.327 -7.263 1.00 0.00 H new ATOM 270 N ASP A 43 29.290 -17.818 -8.128 1.00 0.00 N ATOM 271 CA ASP A 43 28.311 -16.745 -8.213 1.00 0.00 C ATOM 272 C ASP A 43 28.875 -15.464 -7.605 1.00 0.00 C ATOM 273 O ASP A 43 29.184 -15.414 -6.414 1.00 0.00 O ATOM 274 CB ASP A 43 27.031 -17.145 -7.483 1.00 0.00 C ATOM 275 CG ASP A 43 25.946 -16.103 -7.724 1.00 0.00 C ATOM 276 OD1 ASP A 43 26.261 -15.058 -8.268 1.00 0.00 O ATOM 277 OD2 ASP A 43 24.812 -16.371 -7.366 1.00 0.00 O ATOM 0 H ASP A 43 29.504 -18.122 -7.178 1.00 0.00 H new ATOM 0 HA ASP A 43 28.082 -16.565 -9.263 1.00 0.00 H new ATOM 0 HB2 ASP A 43 26.693 -18.121 -7.832 1.00 0.00 H new ATOM 0 HB3 ASP A 43 27.226 -17.239 -6.415 1.00 0.00 H new ATOM 282 N THR A 44 28.999 -14.429 -8.428 1.00 0.00 N ATOM 283 CA THR A 44 29.518 -13.149 -7.959 1.00 0.00 C ATOM 284 C THR A 44 28.427 -12.082 -7.979 1.00 0.00 C ATOM 285 O THR A 44 28.489 -11.103 -7.236 1.00 0.00 O ATOM 286 CB THR A 44 30.686 -12.707 -8.841 1.00 0.00 C ATOM 287 OG1 THR A 44 31.027 -11.363 -8.535 1.00 0.00 O ATOM 288 CG2 THR A 44 30.283 -12.812 -10.313 1.00 0.00 C ATOM 0 H THR A 44 28.749 -14.450 -9.417 1.00 0.00 H new ATOM 0 HA THR A 44 29.863 -13.274 -6.933 1.00 0.00 H new ATOM 0 HB THR A 44 31.546 -13.350 -8.655 1.00 0.00 H new ATOM 0 HG1 THR A 44 31.777 -11.079 -9.099 1.00 0.00 H new ATOM 0 HG21 THR A 44 31.116 -12.497 -10.942 1.00 0.00 H new ATOM 0 HG22 THR A 44 30.023 -13.844 -10.546 1.00 0.00 H new ATOM 0 HG23 THR A 44 29.423 -12.170 -10.501 1.00 0.00 H new ATOM 296 N ASP A 45 27.432 -12.277 -8.838 1.00 0.00 N ATOM 297 CA ASP A 45 26.336 -11.323 -8.951 1.00 0.00 C ATOM 298 C ASP A 45 25.574 -11.223 -7.634 1.00 0.00 C ATOM 299 O ASP A 45 25.149 -10.139 -7.232 1.00 0.00 O ATOM 300 CB ASP A 45 25.378 -11.757 -10.062 1.00 0.00 C ATOM 301 CG ASP A 45 26.034 -11.558 -11.424 1.00 0.00 C ATOM 302 OD1 ASP A 45 27.046 -10.878 -11.478 1.00 0.00 O ATOM 303 OD2 ASP A 45 25.517 -12.089 -12.393 1.00 0.00 O ATOM 0 H ASP A 45 27.362 -13.081 -9.462 1.00 0.00 H new ATOM 0 HA ASP A 45 26.755 -10.346 -9.192 1.00 0.00 H new ATOM 0 HB2 ASP A 45 25.106 -12.804 -9.930 1.00 0.00 H new ATOM 0 HB3 ASP A 45 24.456 -11.178 -10.005 1.00 0.00 H new ATOM 308 N SER A 46 25.403 -12.359 -6.965 1.00 0.00 N ATOM 309 CA SER A 46 24.687 -12.387 -5.696 1.00 0.00 C ATOM 310 C SER A 46 25.406 -11.540 -4.652 1.00 0.00 C ATOM 311 O SER A 46 26.634 -11.506 -4.606 1.00 0.00 O ATOM 312 CB SER A 46 24.569 -13.826 -5.194 1.00 0.00 C ATOM 313 OG SER A 46 23.706 -14.555 -6.056 1.00 0.00 O ATOM 0 H SER A 46 25.748 -13.266 -7.278 1.00 0.00 H new ATOM 0 HA SER A 46 23.691 -11.975 -5.856 1.00 0.00 H new ATOM 0 HB2 SER A 46 25.553 -14.295 -5.164 1.00 0.00 H new ATOM 0 HB3 SER A 46 24.179 -13.837 -4.176 1.00 0.00 H new ATOM 0 HG SER A 46 24.096 -15.435 -6.241 1.00 0.00 H new ATOM 319 N LEU A 47 24.631 -10.854 -3.820 1.00 0.00 N ATOM 320 CA LEU A 47 25.202 -10.005 -2.785 1.00 0.00 C ATOM 321 C LEU A 47 25.399 -10.797 -1.495 1.00 0.00 C ATOM 322 O LEU A 47 24.567 -11.631 -1.136 1.00 0.00 O ATOM 323 CB LEU A 47 24.284 -8.810 -2.517 1.00 0.00 C ATOM 324 CG LEU A 47 24.908 -7.908 -1.450 1.00 0.00 C ATOM 325 CD1 LEU A 47 26.213 -7.308 -1.984 1.00 0.00 C ATOM 326 CD2 LEU A 47 23.935 -6.783 -1.101 1.00 0.00 C ATOM 0 H LEU A 47 23.611 -10.869 -3.842 1.00 0.00 H new ATOM 0 HA LEU A 47 26.170 -9.644 -3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 47 24.127 -8.246 -3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.306 -9.158 -2.186 1.00 0.00 H new ATOM 0 HG LEU A 47 25.119 -8.496 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.656 -6.666 -1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 47 26.908 -8.110 -2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 47 26.004 -6.720 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 47 24.379 -6.140 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.723 -6.195 -1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 47 23.008 -7.210 -0.719 1.00 0.00 H new ATOM 338 N LYS A 48 26.496 -10.518 -0.789 1.00 0.00 N ATOM 339 CA LYS A 48 26.774 -11.198 0.467 1.00 0.00 C ATOM 340 C LYS A 48 26.263 -10.371 1.645 1.00 0.00 C ATOM 341 O LYS A 48 26.660 -9.219 1.830 1.00 0.00 O ATOM 342 CB LYS A 48 28.280 -11.418 0.612 1.00 0.00 C ATOM 343 CG LYS A 48 28.563 -12.154 1.923 1.00 0.00 C ATOM 344 CD LYS A 48 30.067 -12.372 2.066 1.00 0.00 C ATOM 345 CE LYS A 48 30.355 -13.101 3.383 1.00 0.00 C ATOM 346 NZ LYS A 48 31.821 -13.335 3.514 1.00 0.00 N ATOM 0 H LYS A 48 27.198 -9.832 -1.066 1.00 0.00 H new ATOM 0 HA LYS A 48 26.263 -12.161 0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 48 28.657 -11.997 -0.231 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.801 -10.461 0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.186 -11.576 2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 48 28.043 -13.112 1.935 1.00 0.00 H new ATOM 0 HD2 LYS A 48 30.442 -12.956 1.225 1.00 0.00 H new ATOM 0 HD3 LYS A 48 30.587 -11.414 2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 48 29.994 -12.509 4.224 1.00 0.00 H new ATOM 0 HE3 LYS A 48 29.821 -14.051 3.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 32.015 -13.830 4.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 32.152 -13.916 2.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 32.320 -12.423 3.508 1.00 0.00 H new ATOM 360 N ILE A 49 25.378 -10.965 2.440 1.00 0.00 N ATOM 361 CA ILE A 49 24.818 -10.272 3.595 1.00 0.00 C ATOM 362 C ILE A 49 24.901 -11.150 4.841 1.00 0.00 C ATOM 363 O ILE A 49 24.928 -12.381 4.746 1.00 0.00 O ATOM 364 CB ILE A 49 23.356 -9.907 3.319 1.00 0.00 C ATOM 365 CG1 ILE A 49 22.527 -11.184 3.177 1.00 0.00 C ATOM 366 CG2 ILE A 49 23.267 -9.104 2.020 1.00 0.00 C ATOM 367 CD1 ILE A 49 21.049 -10.823 3.019 1.00 0.00 C ATOM 0 H ILE A 49 25.036 -11.917 2.307 1.00 0.00 H new ATOM 0 HA ILE A 49 25.395 -9.364 3.769 1.00 0.00 H new ATOM 0 HB ILE A 49 22.971 -9.311 4.147 1.00 0.00 H new ATOM 0 HG12 ILE A 49 22.866 -11.755 2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 49 22.665 -11.818 4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 49 22.227 -8.844 1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 49 23.857 -8.192 2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 49 23.654 -9.702 1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 49 20.461 -11.735 2.918 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.714 -10.270 3.896 1.00 0.00 H new ATOM 0 HD13 ILE A 49 20.918 -10.206 2.130 1.00 0.00 H new ATOM 379 N LYS A 50 24.917 -10.513 6.005 1.00 0.00 N ATOM 380 CA LYS A 50 24.984 -11.249 7.261 1.00 0.00 C ATOM 381 C LYS A 50 24.027 -10.649 8.285 1.00 0.00 C ATOM 382 O LYS A 50 23.606 -9.498 8.160 1.00 0.00 O ATOM 383 CB LYS A 50 26.414 -11.205 7.811 1.00 0.00 C ATOM 384 CG LYS A 50 26.772 -9.768 8.204 1.00 0.00 C ATOM 385 CD LYS A 50 28.198 -9.728 8.753 1.00 0.00 C ATOM 386 CE LYS A 50 28.558 -8.289 9.130 1.00 0.00 C ATOM 387 NZ LYS A 50 29.728 -8.296 10.053 1.00 0.00 N ATOM 0 H LYS A 50 24.885 -9.498 6.106 1.00 0.00 H new ATOM 0 HA LYS A 50 24.695 -12.283 7.073 1.00 0.00 H new ATOM 0 HB2 LYS A 50 26.501 -11.862 8.677 1.00 0.00 H new ATOM 0 HB3 LYS A 50 27.114 -11.572 7.061 1.00 0.00 H new ATOM 0 HG2 LYS A 50 26.686 -9.111 7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 50 26.072 -9.400 8.954 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.282 -10.376 9.626 1.00 0.00 H new ATOM 0 HD3 LYS A 50 28.897 -10.106 8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.792 -7.714 8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 50 27.707 -7.803 9.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 29.973 -7.319 10.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 29.489 -8.830 10.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 30.539 -8.744 9.582 1.00 0.00 H new ATOM 401 N LYS A 51 23.694 -11.432 9.304 1.00 0.00 N ATOM 402 CA LYS A 51 22.797 -10.964 10.354 1.00 0.00 C ATOM 403 C LYS A 51 23.439 -9.839 11.158 1.00 0.00 C ATOM 404 O LYS A 51 24.586 -9.948 11.586 1.00 0.00 O ATOM 405 CB LYS A 51 22.439 -12.121 11.289 1.00 0.00 C ATOM 406 CG LYS A 51 21.529 -11.609 12.410 1.00 0.00 C ATOM 407 CD LYS A 51 21.102 -12.780 13.297 1.00 0.00 C ATOM 408 CE LYS A 51 20.152 -12.277 14.385 1.00 0.00 C ATOM 409 NZ LYS A 51 19.721 -13.422 15.236 1.00 0.00 N ATOM 0 H LYS A 51 24.029 -12.388 9.426 1.00 0.00 H new ATOM 0 HA LYS A 51 21.892 -10.581 9.882 1.00 0.00 H new ATOM 0 HB2 LYS A 51 21.937 -12.911 10.731 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.345 -12.555 11.711 1.00 0.00 H new ATOM 0 HG2 LYS A 51 22.053 -10.861 13.005 1.00 0.00 H new ATOM 0 HG3 LYS A 51 20.651 -11.121 11.986 1.00 0.00 H new ATOM 0 HD2 LYS A 51 20.611 -13.545 12.696 1.00 0.00 H new ATOM 0 HD3 LYS A 51 21.978 -13.245 13.750 1.00 0.00 H new ATOM 0 HE2 LYS A 51 20.648 -11.523 14.996 1.00 0.00 H new ATOM 0 HE3 LYS A 51 19.283 -11.799 13.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 19.075 -13.081 15.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 19.232 -14.127 14.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 20.555 -13.859 15.679 1.00 0.00 H new ATOM 423 N GLY A 52 22.690 -8.761 11.360 1.00 0.00 N ATOM 424 CA GLY A 52 23.195 -7.619 12.112 1.00 0.00 C ATOM 425 C GLY A 52 23.607 -6.483 11.182 1.00 0.00 C ATOM 426 O GLY A 52 23.721 -5.332 11.607 1.00 0.00 O ATOM 0 H GLY A 52 21.736 -8.654 11.016 1.00 0.00 H new ATOM 0 HA2 GLY A 52 22.428 -7.267 12.802 1.00 0.00 H new ATOM 0 HA3 GLY A 52 24.049 -7.927 12.715 1.00 0.00 H new ATOM 430 N ASP A 53 23.820 -6.808 9.911 1.00 0.00 N ATOM 431 CA ASP A 53 24.207 -5.805 8.930 1.00 0.00 C ATOM 432 C ASP A 53 22.974 -5.070 8.406 1.00 0.00 C ATOM 433 O ASP A 53 21.875 -5.626 8.371 1.00 0.00 O ATOM 434 CB ASP A 53 24.944 -6.468 7.766 1.00 0.00 C ATOM 435 CG ASP A 53 25.759 -5.428 7.004 1.00 0.00 C ATOM 436 OD1 ASP A 53 26.821 -5.070 7.485 1.00 0.00 O ATOM 437 OD2 ASP A 53 25.307 -5.003 5.954 1.00 0.00 O ATOM 0 H ASP A 53 23.731 -7.754 9.539 1.00 0.00 H new ATOM 0 HA ASP A 53 24.869 -5.086 9.412 1.00 0.00 H new ATOM 0 HB2 ASP A 53 25.601 -7.253 8.141 1.00 0.00 H new ATOM 0 HB3 ASP A 53 24.228 -6.944 7.095 1.00 0.00 H new ATOM 442 N ILE A 54 23.166 -3.823 7.990 1.00 0.00 N ATOM 443 CA ILE A 54 22.069 -3.020 7.462 1.00 0.00 C ATOM 444 C ILE A 54 22.314 -2.673 5.996 1.00 0.00 C ATOM 445 O ILE A 54 23.411 -2.261 5.622 1.00 0.00 O ATOM 446 CB ILE A 54 21.915 -1.735 8.275 1.00 0.00 C ATOM 447 CG1 ILE A 54 21.571 -2.090 9.724 1.00 0.00 C ATOM 448 CG2 ILE A 54 20.798 -0.882 7.677 1.00 0.00 C ATOM 449 CD1 ILE A 54 21.626 -0.826 10.583 1.00 0.00 C ATOM 0 H ILE A 54 24.068 -3.347 8.008 1.00 0.00 H new ATOM 0 HA ILE A 54 21.152 -3.604 7.537 1.00 0.00 H new ATOM 0 HB ILE A 54 22.849 -1.174 8.250 1.00 0.00 H new ATOM 0 HG12 ILE A 54 20.577 -2.535 9.775 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.272 -2.832 10.105 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.689 0.034 8.258 1.00 0.00 H new ATOM 0 HG22 ILE A 54 21.045 -0.631 6.645 1.00 0.00 H new ATOM 0 HG23 ILE A 54 19.862 -1.440 7.701 1.00 0.00 H new ATOM 0 HD11 ILE A 54 21.381 -1.077 11.615 1.00 0.00 H new ATOM 0 HD12 ILE A 54 22.629 -0.401 10.541 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.907 -0.098 10.206 1.00 0.00 H new ATOM 461 N ILE A 55 21.289 -2.856 5.171 1.00 0.00 N ATOM 462 CA ILE A 55 21.407 -2.574 3.745 1.00 0.00 C ATOM 463 C ILE A 55 20.437 -1.473 3.329 1.00 0.00 C ATOM 464 O ILE A 55 19.267 -1.492 3.704 1.00 0.00 O ATOM 465 CB ILE A 55 21.118 -3.837 2.938 1.00 0.00 C ATOM 466 CG1 ILE A 55 22.110 -4.932 3.335 1.00 0.00 C ATOM 467 CG2 ILE A 55 21.269 -3.536 1.444 1.00 0.00 C ATOM 468 CD1 ILE A 55 21.679 -6.265 2.715 1.00 0.00 C ATOM 0 H ILE A 55 20.373 -3.196 5.462 1.00 0.00 H new ATOM 0 HA ILE A 55 22.425 -2.238 3.547 1.00 0.00 H new ATOM 0 HB ILE A 55 20.101 -4.172 3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 55 23.112 -4.669 2.996 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.153 -5.021 4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 55 21.063 -4.438 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 55 20.566 -2.754 1.158 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.286 -3.201 1.241 1.00 0.00 H new ATOM 0 HD11 ILE A 55 22.387 -7.044 2.999 1.00 0.00 H new ATOM 0 HD12 ILE A 55 20.685 -6.529 3.075 1.00 0.00 H new ATOM 0 HD13 ILE A 55 21.658 -6.172 1.629 1.00 0.00 H new ATOM 480 N ASP A 56 20.936 -0.515 2.551 1.00 0.00 N ATOM 481 CA ASP A 56 20.095 0.587 2.088 1.00 0.00 C ATOM 482 C ASP A 56 19.258 0.144 0.892 1.00 0.00 C ATOM 483 O ASP A 56 19.798 -0.292 -0.122 1.00 0.00 O ATOM 484 CB ASP A 56 20.971 1.777 1.693 1.00 0.00 C ATOM 485 CG ASP A 56 21.839 2.195 2.876 1.00 0.00 C ATOM 486 OD1 ASP A 56 22.948 1.697 2.977 1.00 0.00 O ATOM 487 OD2 ASP A 56 21.384 3.011 3.658 1.00 0.00 O ATOM 0 H ASP A 56 21.904 -0.478 2.231 1.00 0.00 H new ATOM 0 HA ASP A 56 19.427 0.884 2.896 1.00 0.00 H new ATOM 0 HB2 ASP A 56 21.601 1.511 0.844 1.00 0.00 H new ATOM 0 HB3 ASP A 56 20.345 2.612 1.376 1.00 0.00 H new ATOM 492 N ILE A 57 17.941 0.267 1.017 1.00 0.00 N ATOM 493 CA ILE A 57 17.039 -0.127 -0.060 1.00 0.00 C ATOM 494 C ILE A 57 17.102 0.872 -1.210 1.00 0.00 C ATOM 495 O ILE A 57 16.891 2.070 -1.018 1.00 0.00 O ATOM 496 CB ILE A 57 15.606 -0.213 0.468 1.00 0.00 C ATOM 497 CG1 ILE A 57 15.514 -1.325 1.515 1.00 0.00 C ATOM 498 CG2 ILE A 57 14.654 -0.521 -0.688 1.00 0.00 C ATOM 499 CD1 ILE A 57 14.168 -1.235 2.239 1.00 0.00 C ATOM 0 H ILE A 57 17.476 0.634 1.848 1.00 0.00 H new ATOM 0 HA ILE A 57 17.351 -1.104 -0.430 1.00 0.00 H new ATOM 0 HB ILE A 57 15.329 0.738 0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 57 15.617 -2.299 1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 57 16.331 -1.233 2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 57 13.633 -0.582 -0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.719 0.271 -1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.931 -1.472 -1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 57 14.102 -2.027 2.985 1.00 0.00 H new ATOM 0 HD12 ILE A 57 14.083 -0.266 2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 57 13.359 -1.348 1.518 1.00 0.00 H new ATOM 511 N ILE A 58 17.392 0.371 -2.406 1.00 0.00 N ATOM 512 CA ILE A 58 17.474 1.227 -3.580 1.00 0.00 C ATOM 513 C ILE A 58 16.265 1.008 -4.485 1.00 0.00 C ATOM 514 O ILE A 58 15.800 1.935 -5.147 1.00 0.00 O ATOM 515 CB ILE A 58 18.768 0.934 -4.352 1.00 0.00 C ATOM 516 CG1 ILE A 58 19.182 2.178 -5.139 1.00 0.00 C ATOM 517 CG2 ILE A 58 18.541 -0.227 -5.323 1.00 0.00 C ATOM 518 CD1 ILE A 58 20.572 1.963 -5.739 1.00 0.00 C ATOM 0 H ILE A 58 17.573 -0.617 -2.586 1.00 0.00 H new ATOM 0 HA ILE A 58 17.480 2.267 -3.254 1.00 0.00 H new ATOM 0 HB ILE A 58 19.555 0.666 -3.647 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.460 2.378 -5.930 1.00 0.00 H new ATOM 0 HG13 ILE A 58 19.187 3.050 -4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.463 -0.431 -5.868 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.246 -1.116 -4.765 1.00 0.00 H new ATOM 0 HG23 ILE A 58 17.753 0.037 -6.028 1.00 0.00 H new ATOM 0 HD11 ILE A 58 20.867 2.850 -6.300 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.290 1.784 -4.939 1.00 0.00 H new ATOM 0 HD13 ILE A 58 20.551 1.102 -6.407 1.00 0.00 H new ATOM 530 N CYS A 59 15.776 -0.232 -4.524 1.00 0.00 N ATOM 531 CA CYS A 59 14.634 -0.566 -5.362 1.00 0.00 C ATOM 532 C CYS A 59 14.213 -2.015 -5.137 1.00 0.00 C ATOM 533 O CYS A 59 14.874 -2.760 -4.412 1.00 0.00 O ATOM 534 CB CYS A 59 14.975 -0.350 -6.839 1.00 0.00 C ATOM 535 SG CYS A 59 16.211 -1.560 -7.359 1.00 0.00 S ATOM 0 H CYS A 59 16.153 -1.014 -3.988 1.00 0.00 H new ATOM 0 HA CYS A 59 13.807 0.089 -5.089 1.00 0.00 H new ATOM 0 HB2 CYS A 59 14.076 -0.448 -7.448 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.354 0.661 -6.991 1.00 0.00 H new ATOM 0 HG CYS A 59 16.497 -1.376 -8.614 1.00 0.00 H new ATOM 541 N LYS A 60 13.118 -2.413 -5.776 1.00 0.00 N ATOM 542 CA LYS A 60 12.624 -3.780 -5.648 1.00 0.00 C ATOM 543 C LYS A 60 12.442 -4.414 -7.023 1.00 0.00 C ATOM 544 O LYS A 60 12.200 -3.720 -8.012 1.00 0.00 O ATOM 545 CB LYS A 60 11.294 -3.789 -4.899 1.00 0.00 C ATOM 546 CG LYS A 60 11.506 -3.259 -3.481 1.00 0.00 C ATOM 547 CD LYS A 60 10.176 -3.284 -2.724 1.00 0.00 C ATOM 548 CE LYS A 60 10.389 -2.768 -1.301 1.00 0.00 C ATOM 549 NZ LYS A 60 10.859 -1.354 -1.351 1.00 0.00 N ATOM 0 H LYS A 60 12.559 -1.814 -6.383 1.00 0.00 H new ATOM 0 HA LYS A 60 13.357 -4.359 -5.087 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.564 -3.173 -5.424 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.890 -4.801 -4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.245 -3.868 -2.960 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.898 -2.243 -3.516 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.440 -2.667 -3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.779 -4.299 -2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.459 -2.834 -0.736 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.121 -3.388 -0.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.669 -0.892 -0.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.881 -1.334 -1.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.356 -0.847 -2.107 1.00 0.00 H new ATOM 563 N THR A 61 12.570 -5.739 -7.079 1.00 0.00 N ATOM 564 CA THR A 61 12.429 -6.445 -8.342 1.00 0.00 C ATOM 565 C THR A 61 11.086 -7.172 -8.405 1.00 0.00 C ATOM 566 O THR A 61 10.522 -7.543 -7.374 1.00 0.00 O ATOM 567 CB THR A 61 13.561 -7.463 -8.507 1.00 0.00 C ATOM 568 OG1 THR A 61 13.385 -8.524 -7.577 1.00 0.00 O ATOM 569 CG2 THR A 61 14.902 -6.775 -8.248 1.00 0.00 C ATOM 0 H THR A 61 12.768 -6.334 -6.275 1.00 0.00 H new ATOM 0 HA THR A 61 12.477 -5.712 -9.148 1.00 0.00 H new ATOM 0 HB THR A 61 13.546 -7.864 -9.520 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.968 -8.380 -6.803 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.710 -7.497 -8.365 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.037 -5.961 -8.960 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.916 -6.376 -7.234 1.00 0.00 H new ATOM 577 N PRO A 62 10.578 -7.388 -9.588 1.00 0.00 N ATOM 578 CA PRO A 62 9.277 -8.092 -9.793 1.00 0.00 C ATOM 579 C PRO A 62 9.269 -9.485 -9.167 1.00 0.00 C ATOM 580 O PRO A 62 8.250 -9.936 -8.644 1.00 0.00 O ATOM 581 CB PRO A 62 9.151 -8.185 -11.318 1.00 0.00 C ATOM 582 CG PRO A 62 10.037 -7.114 -11.854 1.00 0.00 C ATOM 583 CD PRO A 62 11.185 -6.987 -10.866 1.00 0.00 C ATOM 0 HA PRO A 62 8.450 -7.563 -9.320 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.459 -9.167 -11.679 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.119 -8.037 -11.637 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.404 -7.372 -12.847 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.497 -6.172 -11.948 1.00 0.00 H new ATOM 0 HD2 PRO A 62 12.020 -7.634 -11.135 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.570 -5.968 -10.826 1.00 0.00 H new ATOM 591 N MET A 63 10.412 -10.159 -9.220 1.00 0.00 N ATOM 592 CA MET A 63 10.527 -11.498 -8.657 1.00 0.00 C ATOM 593 C MET A 63 10.253 -11.476 -7.158 1.00 0.00 C ATOM 594 O MET A 63 9.650 -12.402 -6.614 1.00 0.00 O ATOM 595 CB MET A 63 11.928 -12.059 -8.915 1.00 0.00 C ATOM 596 CG MET A 63 12.094 -12.355 -10.407 1.00 0.00 C ATOM 597 SD MET A 63 13.796 -12.881 -10.730 1.00 0.00 S ATOM 598 CE MET A 63 13.699 -14.487 -9.903 1.00 0.00 C ATOM 0 H MET A 63 11.268 -9.802 -9.645 1.00 0.00 H new ATOM 0 HA MET A 63 9.788 -12.137 -9.140 1.00 0.00 H new ATOM 0 HB2 MET A 63 12.683 -11.344 -8.589 1.00 0.00 H new ATOM 0 HB3 MET A 63 12.079 -12.969 -8.334 1.00 0.00 H new ATOM 0 HG2 MET A 63 11.396 -13.134 -10.714 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.859 -11.467 -10.994 1.00 0.00 H new ATOM 0 HE1 MET A 63 14.441 -15.162 -10.330 1.00 0.00 H new ATOM 0 HE2 MET A 63 13.894 -14.360 -8.838 1.00 0.00 H new ATOM 0 HE3 MET A 63 12.703 -14.908 -10.042 1.00 0.00 H new ATOM 608 N GLY A 64 10.706 -10.419 -6.495 1.00 0.00 N ATOM 609 CA GLY A 64 10.511 -10.289 -5.057 1.00 0.00 C ATOM 610 C GLY A 64 11.821 -9.925 -4.365 1.00 0.00 C ATOM 611 O GLY A 64 11.819 -9.329 -3.287 1.00 0.00 O ATOM 0 H GLY A 64 11.208 -9.644 -6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.762 -9.523 -4.854 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.128 -11.225 -4.651 1.00 0.00 H new ATOM 615 N MET A 65 12.938 -10.288 -4.990 1.00 0.00 N ATOM 616 CA MET A 65 14.248 -9.997 -4.418 1.00 0.00 C ATOM 617 C MET A 65 14.450 -8.490 -4.295 1.00 0.00 C ATOM 618 O MET A 65 14.062 -7.725 -5.175 1.00 0.00 O ATOM 619 CB MET A 65 15.349 -10.588 -5.299 1.00 0.00 C ATOM 620 CG MET A 65 15.313 -12.115 -5.206 1.00 0.00 C ATOM 621 SD MET A 65 16.644 -12.815 -6.215 1.00 0.00 S ATOM 622 CE MET A 65 18.008 -12.428 -5.087 1.00 0.00 C ATOM 0 H MET A 65 12.963 -10.779 -5.884 1.00 0.00 H new ATOM 0 HA MET A 65 14.299 -10.446 -3.426 1.00 0.00 H new ATOM 0 HB2 MET A 65 15.210 -10.273 -6.333 1.00 0.00 H new ATOM 0 HB3 MET A 65 16.323 -10.217 -4.980 1.00 0.00 H new ATOM 0 HG2 MET A 65 15.426 -12.429 -4.168 1.00 0.00 H new ATOM 0 HG3 MET A 65 14.348 -12.488 -5.549 1.00 0.00 H new ATOM 0 HE1 MET A 65 18.933 -12.855 -5.474 1.00 0.00 H new ATOM 0 HE2 MET A 65 18.115 -11.347 -5.003 1.00 0.00 H new ATOM 0 HE3 MET A 65 17.798 -12.849 -4.104 1.00 0.00 H new ATOM 632 N TRP A 66 15.048 -8.070 -3.186 1.00 0.00 N ATOM 633 CA TRP A 66 15.286 -6.650 -2.945 1.00 0.00 C ATOM 634 C TRP A 66 16.697 -6.256 -3.358 1.00 0.00 C ATOM 635 O TRP A 66 17.626 -7.056 -3.260 1.00 0.00 O ATOM 636 CB TRP A 66 15.073 -6.329 -1.462 1.00 0.00 C ATOM 637 CG TRP A 66 13.608 -6.283 -1.156 1.00 0.00 C ATOM 638 CD1 TRP A 66 12.624 -6.671 -1.998 1.00 0.00 C ATOM 639 CD2 TRP A 66 12.947 -5.820 0.058 1.00 0.00 C ATOM 640 NE1 TRP A 66 11.405 -6.475 -1.385 1.00 0.00 N ATOM 641 CE2 TRP A 66 11.548 -5.956 -0.112 1.00 0.00 C ATOM 642 CE3 TRP A 66 13.420 -5.304 1.278 1.00 0.00 C ATOM 643 CZ2 TRP A 66 10.651 -5.591 0.893 1.00 0.00 C ATOM 644 CZ3 TRP A 66 12.519 -4.936 2.291 1.00 0.00 C ATOM 645 CH2 TRP A 66 11.138 -5.080 2.098 1.00 0.00 C ATOM 0 H TRP A 66 15.376 -8.687 -2.443 1.00 0.00 H new ATOM 0 HA TRP A 66 14.579 -6.079 -3.547 1.00 0.00 H new ATOM 0 HB2 TRP A 66 15.559 -7.084 -0.844 1.00 0.00 H new ATOM 0 HB3 TRP A 66 15.535 -5.372 -1.218 1.00 0.00 H new ATOM 0 HD1 TRP A 66 12.770 -7.070 -2.991 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.506 -6.687 -1.818 1.00 0.00 H new ATOM 0 HE3 TRP A 66 14.482 -5.190 1.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.588 -5.703 0.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 12.892 -4.540 3.224 1.00 0.00 H new ATOM 0 HH2 TRP A 66 10.451 -4.796 2.881 1.00 0.00 H new ATOM 656 N THR A 67 16.847 -5.014 -3.813 1.00 0.00 N ATOM 657 CA THR A 67 18.152 -4.518 -4.230 1.00 0.00 C ATOM 658 C THR A 67 18.548 -3.318 -3.376 1.00 0.00 C ATOM 659 O THR A 67 17.714 -2.463 -3.054 1.00 0.00 O ATOM 660 CB THR A 67 18.127 -4.126 -5.704 1.00 0.00 C ATOM 661 OG1 THR A 67 17.697 -5.238 -6.474 1.00 0.00 O ATOM 662 CG2 THR A 67 19.531 -3.710 -6.144 1.00 0.00 C ATOM 0 H THR A 67 16.087 -4.339 -3.901 1.00 0.00 H new ATOM 0 HA THR A 67 18.888 -5.311 -4.095 1.00 0.00 H new ATOM 0 HB THR A 67 17.441 -3.292 -5.852 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.468 -5.800 -6.696 1.00 0.00 H new ATOM 0 HG21 THR A 67 19.514 -3.430 -7.197 1.00 0.00 H new ATOM 0 HG22 THR A 67 19.862 -2.860 -5.548 1.00 0.00 H new ATOM 0 HG23 THR A 67 20.219 -4.543 -6.001 1.00 0.00 H new ATOM 670 N GLY A 68 19.829 -3.250 -3.016 1.00 0.00 N ATOM 671 CA GLY A 68 20.323 -2.149 -2.194 1.00 0.00 C ATOM 672 C GLY A 68 21.847 -2.083 -2.227 1.00 0.00 C ATOM 673 O GLY A 68 22.494 -2.757 -3.035 1.00 0.00 O ATOM 0 H GLY A 68 20.536 -3.937 -3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.907 -1.208 -2.553 1.00 0.00 H new ATOM 0 HA3 GLY A 68 19.983 -2.277 -1.166 1.00 0.00 H new ATOM 677 N MET A 69 22.413 -1.270 -1.341 1.00 0.00 N ATOM 678 CA MET A 69 23.863 -1.122 -1.271 1.00 0.00 C ATOM 679 C MET A 69 24.393 -1.620 0.071 1.00 0.00 C ATOM 680 O MET A 69 23.824 -1.316 1.126 1.00 0.00 O ATOM 681 CB MET A 69 24.248 0.345 -1.459 1.00 0.00 C ATOM 682 CG MET A 69 25.768 0.489 -1.375 1.00 0.00 C ATOM 683 SD MET A 69 26.230 2.199 -1.749 1.00 0.00 S ATOM 684 CE MET A 69 25.538 2.955 -0.257 1.00 0.00 C ATOM 0 H MET A 69 21.895 -0.707 -0.666 1.00 0.00 H new ATOM 0 HA MET A 69 24.306 -1.720 -2.067 1.00 0.00 H new ATOM 0 HB2 MET A 69 23.891 0.705 -2.424 1.00 0.00 H new ATOM 0 HB3 MET A 69 23.771 0.958 -0.694 1.00 0.00 H new ATOM 0 HG2 MET A 69 26.116 0.216 -0.379 1.00 0.00 H new ATOM 0 HG3 MET A 69 26.248 -0.191 -2.078 1.00 0.00 H new ATOM 0 HE1 MET A 69 26.063 3.887 -0.044 1.00 0.00 H new ATOM 0 HE2 MET A 69 24.479 3.162 -0.412 1.00 0.00 H new ATOM 0 HE3 MET A 69 25.655 2.272 0.585 1.00 0.00 H new ATOM 694 N LEU A 70 25.481 -2.383 0.023 1.00 0.00 N ATOM 695 CA LEU A 70 26.083 -2.912 1.237 1.00 0.00 C ATOM 696 C LEU A 70 27.600 -2.752 1.191 1.00 0.00 C ATOM 697 O LEU A 70 28.278 -3.413 0.411 1.00 0.00 O ATOM 698 CB LEU A 70 25.723 -4.393 1.397 1.00 0.00 C ATOM 699 CG LEU A 70 25.750 -4.770 2.883 1.00 0.00 C ATOM 700 CD1 LEU A 70 25.192 -6.185 3.060 1.00 0.00 C ATOM 701 CD2 LEU A 70 27.192 -4.723 3.401 1.00 0.00 C ATOM 0 H LEU A 70 25.959 -2.646 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 70 25.696 -2.354 2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 70 24.734 -4.585 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 70 26.428 -5.011 0.841 1.00 0.00 H new ATOM 0 HG LEU A 70 25.140 -4.063 3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 70 25.211 -6.454 4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.166 -6.220 2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 70 25.802 -6.890 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 70 27.208 -4.991 4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 70 27.804 -5.428 2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 70 27.591 -3.716 3.276 1.00 0.00 H new ATOM 713 N ASN A 71 28.128 -1.898 2.058 1.00 0.00 N ATOM 714 CA ASN A 71 29.569 -1.687 2.119 1.00 0.00 C ATOM 715 C ASN A 71 30.115 -1.286 0.759 1.00 0.00 C ATOM 716 O ASN A 71 31.042 -1.911 0.245 1.00 0.00 O ATOM 717 CB ASN A 71 30.269 -2.961 2.598 1.00 0.00 C ATOM 718 CG ASN A 71 31.723 -2.660 2.943 1.00 0.00 C ATOM 719 OD1 ASN A 71 32.040 -1.564 3.407 1.00 0.00 O ATOM 720 ND2 ASN A 71 32.631 -3.573 2.740 1.00 0.00 N ATOM 0 H ASN A 71 27.587 -1.345 2.723 1.00 0.00 H new ATOM 0 HA ASN A 71 29.764 -0.880 2.825 1.00 0.00 H new ATOM 0 HB2 ASN A 71 29.755 -3.361 3.472 1.00 0.00 H new ATOM 0 HB3 ASN A 71 30.222 -3.725 1.822 1.00 0.00 H new ATOM 0 HD21 ASN A 71 33.607 -3.381 2.966 1.00 0.00 H new ATOM 0 HD22 ASN A 71 32.365 -4.480 2.356 1.00 0.00 H new ATOM 727 N ASN A 72 29.535 -0.242 0.177 1.00 0.00 N ATOM 728 CA ASN A 72 29.978 0.237 -1.125 1.00 0.00 C ATOM 729 C ASN A 72 29.854 -0.861 -2.175 1.00 0.00 C ATOM 730 O ASN A 72 30.602 -0.880 -3.154 1.00 0.00 O ATOM 731 CB ASN A 72 31.432 0.710 -1.041 1.00 0.00 C ATOM 732 CG ASN A 72 31.528 1.956 -0.167 1.00 0.00 C ATOM 733 OD1 ASN A 72 30.548 2.683 -0.010 1.00 0.00 O ATOM 734 ND2 ASN A 72 32.659 2.245 0.418 1.00 0.00 N ATOM 0 H ASN A 72 28.762 0.285 0.584 1.00 0.00 H new ATOM 0 HA ASN A 72 29.342 1.072 -1.418 1.00 0.00 H new ATOM 0 HB2 ASN A 72 32.057 -0.082 -0.629 1.00 0.00 H new ATOM 0 HB3 ASN A 72 31.810 0.927 -2.040 1.00 0.00 H new ATOM 0 HD21 ASN A 72 32.731 3.075 1.007 1.00 0.00 H new ATOM 0 HD22 ASN A 72 33.470 1.641 0.286 1.00 0.00 H new ATOM 741 N LYS A 73 28.903 -1.765 -1.970 1.00 0.00 N ATOM 742 CA LYS A 73 28.684 -2.853 -2.915 1.00 0.00 C ATOM 743 C LYS A 73 27.189 -3.088 -3.106 1.00 0.00 C ATOM 744 O LYS A 73 26.501 -3.531 -2.193 1.00 0.00 O ATOM 745 CB LYS A 73 29.354 -4.130 -2.406 1.00 0.00 C ATOM 746 CG LYS A 73 29.192 -5.239 -3.444 1.00 0.00 C ATOM 747 CD LYS A 73 29.907 -6.501 -2.956 1.00 0.00 C ATOM 748 CE LYS A 73 29.710 -7.625 -3.974 1.00 0.00 C ATOM 749 NZ LYS A 73 30.344 -7.241 -5.268 1.00 0.00 N ATOM 0 H LYS A 73 28.276 -1.767 -1.165 1.00 0.00 H new ATOM 0 HA LYS A 73 29.123 -2.581 -3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 73 30.412 -3.947 -2.215 1.00 0.00 H new ATOM 0 HB3 LYS A 73 28.908 -4.435 -1.460 1.00 0.00 H new ATOM 0 HG2 LYS A 73 28.135 -5.447 -3.608 1.00 0.00 H new ATOM 0 HG3 LYS A 73 29.606 -4.920 -4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 73 30.970 -6.300 -2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 73 29.514 -6.802 -1.985 1.00 0.00 H new ATOM 0 HE2 LYS A 73 30.151 -8.549 -3.601 1.00 0.00 H new ATOM 0 HE3 LYS A 73 28.647 -7.815 -4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 30.484 -8.090 -5.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 29.727 -6.572 -5.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 31.264 -6.792 -5.084 1.00 0.00 H new ATOM 763 N VAL A 74 26.698 -2.809 -4.307 1.00 0.00 N ATOM 764 CA VAL A 74 25.282 -2.996 -4.605 1.00 0.00 C ATOM 765 C VAL A 74 25.039 -4.352 -5.255 1.00 0.00 C ATOM 766 O VAL A 74 25.859 -4.832 -6.037 1.00 0.00 O ATOM 767 CB VAL A 74 24.797 -1.888 -5.543 1.00 0.00 C ATOM 768 CG1 VAL A 74 24.816 -0.547 -4.805 1.00 0.00 C ATOM 769 CG2 VAL A 74 25.723 -1.809 -6.760 1.00 0.00 C ATOM 0 H VAL A 74 27.254 -2.455 -5.086 1.00 0.00 H new ATOM 0 HA VAL A 74 24.727 -2.953 -3.668 1.00 0.00 H new ATOM 0 HB VAL A 74 23.781 -2.110 -5.870 1.00 0.00 H new ATOM 0 HG11 VAL A 74 24.470 0.241 -5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 74 24.159 -0.600 -3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 74 25.832 -0.326 -4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 74 25.378 -1.020 -7.429 1.00 0.00 H new ATOM 0 HG22 VAL A 74 26.738 -1.588 -6.431 1.00 0.00 H new ATOM 0 HG23 VAL A 74 25.712 -2.763 -7.288 1.00 0.00 H new ATOM 779 N GLY A 75 23.909 -4.967 -4.920 1.00 0.00 N ATOM 780 CA GLY A 75 23.573 -6.274 -5.474 1.00 0.00 C ATOM 781 C GLY A 75 22.153 -6.677 -5.087 1.00 0.00 C ATOM 782 O GLY A 75 21.402 -5.879 -4.507 1.00 0.00 O ATOM 0 H GLY A 75 23.217 -4.586 -4.275 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.666 -6.249 -6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.280 -7.020 -5.111 1.00 0.00 H new ATOM 786 N ASN A 76 21.784 -7.912 -5.422 1.00 0.00 N ATOM 787 CA ASN A 76 20.446 -8.405 -5.117 1.00 0.00 C ATOM 788 C ASN A 76 20.510 -9.499 -4.053 1.00 0.00 C ATOM 789 O ASN A 76 21.531 -10.169 -3.900 1.00 0.00 O ATOM 790 CB ASN A 76 19.794 -8.962 -6.384 1.00 0.00 C ATOM 791 CG ASN A 76 20.006 -7.999 -7.549 1.00 0.00 C ATOM 792 OD1 ASN A 76 19.594 -6.766 -7.450 1.00 0.00 O flip ATOM 793 ND2 ASN A 76 20.571 -8.379 -8.573 1.00 0.00 N flip ATOM 0 H ASN A 76 22.387 -8.582 -5.900 1.00 0.00 H new ATOM 0 HA ASN A 76 19.850 -7.576 -4.736 1.00 0.00 H new ATOM 0 HB2 ASN A 76 20.221 -9.936 -6.624 1.00 0.00 H new ATOM 0 HB3 ASN A 76 18.728 -9.114 -6.217 1.00 0.00 H new ATOM 0 HD21 ASN A 76 20.893 -9.344 -8.650 1.00 0.00 H new ATOM 0 HD22 ASN A 76 20.718 -7.729 -9.346 1.00 0.00 H new ATOM 800 N PHE A 77 19.413 -9.673 -3.326 1.00 0.00 N ATOM 801 CA PHE A 77 19.347 -10.688 -2.281 1.00 0.00 C ATOM 802 C PHE A 77 17.903 -11.104 -2.020 1.00 0.00 C ATOM 803 O PHE A 77 16.965 -10.356 -2.326 1.00 0.00 O ATOM 804 CB PHE A 77 19.976 -10.150 -0.996 1.00 0.00 C ATOM 805 CG PHE A 77 19.543 -8.720 -0.785 1.00 0.00 C ATOM 806 CD1 PHE A 77 18.364 -8.438 -0.089 1.00 0.00 C ATOM 807 CD2 PHE A 77 20.325 -7.674 -1.292 1.00 0.00 C ATOM 808 CE1 PHE A 77 17.967 -7.108 0.102 1.00 0.00 C ATOM 809 CE2 PHE A 77 19.928 -6.346 -1.101 1.00 0.00 C ATOM 810 CZ PHE A 77 18.749 -6.063 -0.404 1.00 0.00 C ATOM 0 H PHE A 77 18.559 -9.127 -3.440 1.00 0.00 H new ATOM 0 HA PHE A 77 19.901 -11.565 -2.615 1.00 0.00 H new ATOM 0 HB2 PHE A 77 19.673 -10.762 -0.146 1.00 0.00 H new ATOM 0 HB3 PHE A 77 21.063 -10.207 -1.059 1.00 0.00 H new ATOM 0 HD1 PHE A 77 17.760 -9.244 0.301 1.00 0.00 H new ATOM 0 HD2 PHE A 77 21.235 -7.893 -1.831 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.057 -6.889 0.640 1.00 0.00 H new ATOM 0 HE2 PHE A 77 20.532 -5.540 -1.492 1.00 0.00 H new ATOM 0 HZ PHE A 77 18.442 -5.038 -0.256 1.00 0.00 H new ATOM 820 N LYS A 78 17.727 -12.298 -1.454 1.00 0.00 N ATOM 821 CA LYS A 78 16.392 -12.799 -1.167 1.00 0.00 C ATOM 822 C LYS A 78 15.699 -11.911 -0.133 1.00 0.00 C ATOM 823 O LYS A 78 16.285 -11.552 0.883 1.00 0.00 O ATOM 824 CB LYS A 78 16.485 -14.228 -0.636 1.00 0.00 C ATOM 825 CG LYS A 78 16.989 -15.159 -1.737 1.00 0.00 C ATOM 826 CD LYS A 78 17.092 -16.588 -1.195 1.00 0.00 C ATOM 827 CE LYS A 78 17.585 -17.519 -2.304 1.00 0.00 C ATOM 828 NZ LYS A 78 17.711 -18.904 -1.769 1.00 0.00 N ATOM 0 H LYS A 78 18.485 -12.927 -1.189 1.00 0.00 H new ATOM 0 HA LYS A 78 15.807 -12.787 -2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.159 -14.264 0.220 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.507 -14.560 -0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.311 -15.131 -2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 78 17.963 -14.823 -2.093 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.777 -16.619 -0.348 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.120 -16.921 -0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.889 -17.503 -3.143 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.548 -17.174 -2.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.046 -19.538 -2.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.391 -18.912 -0.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.784 -19.230 -1.429 1.00 0.00 H new ATOM 842 N PHE A 79 14.459 -11.555 -0.421 1.00 0.00 N ATOM 843 CA PHE A 79 13.686 -10.693 0.471 1.00 0.00 C ATOM 844 C PHE A 79 13.382 -11.408 1.779 1.00 0.00 C ATOM 845 O PHE A 79 13.086 -10.773 2.791 1.00 0.00 O ATOM 846 CB PHE A 79 12.388 -10.250 -0.207 1.00 0.00 C ATOM 847 CG PHE A 79 11.673 -11.457 -0.765 1.00 0.00 C ATOM 848 CD1 PHE A 79 10.741 -12.141 0.016 1.00 0.00 C ATOM 849 CD2 PHE A 79 11.950 -11.894 -2.066 1.00 0.00 C ATOM 850 CE1 PHE A 79 10.085 -13.262 -0.505 1.00 0.00 C ATOM 851 CE2 PHE A 79 11.299 -13.014 -2.586 1.00 0.00 C ATOM 852 CZ PHE A 79 10.364 -13.699 -1.806 1.00 0.00 C ATOM 0 H PHE A 79 13.962 -11.846 -1.263 1.00 0.00 H new ATOM 0 HA PHE A 79 14.283 -9.808 0.693 1.00 0.00 H new ATOM 0 HB2 PHE A 79 11.749 -9.735 0.510 1.00 0.00 H new ATOM 0 HB3 PHE A 79 12.606 -9.542 -1.006 1.00 0.00 H new ATOM 0 HD1 PHE A 79 10.526 -11.806 1.020 1.00 0.00 H new ATOM 0 HD2 PHE A 79 12.670 -11.362 -2.670 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.362 -13.791 0.098 1.00 0.00 H new ATOM 0 HE2 PHE A 79 11.518 -13.350 -3.589 1.00 0.00 H new ATOM 0 HZ PHE A 79 9.857 -14.565 -2.206 1.00 0.00 H new ATOM 862 N ILE A 80 13.441 -12.736 1.750 1.00 0.00 N ATOM 863 CA ILE A 80 13.161 -13.526 2.941 1.00 0.00 C ATOM 864 C ILE A 80 14.362 -13.516 3.877 1.00 0.00 C ATOM 865 O ILE A 80 14.221 -13.668 5.089 1.00 0.00 O ATOM 866 CB ILE A 80 12.839 -14.971 2.541 1.00 0.00 C ATOM 867 CG1 ILE A 80 14.121 -15.684 2.108 1.00 0.00 C ATOM 868 CG2 ILE A 80 11.845 -14.972 1.383 1.00 0.00 C ATOM 869 CD1 ILE A 80 13.798 -17.112 1.674 1.00 0.00 C ATOM 0 H ILE A 80 13.678 -13.282 0.922 1.00 0.00 H new ATOM 0 HA ILE A 80 12.305 -13.090 3.456 1.00 0.00 H new ATOM 0 HB ILE A 80 12.405 -15.491 3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 80 14.590 -15.142 1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 80 14.836 -15.697 2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.617 -16.000 1.100 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.928 -14.468 1.690 1.00 0.00 H new ATOM 0 HG23 ILE A 80 12.279 -14.449 0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 80 14.715 -17.615 1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 80 13.349 -17.653 2.507 1.00 0.00 H new ATOM 0 HD13 ILE A 80 13.099 -17.089 0.838 1.00 0.00 H new ATOM 881 N TYR A 81 15.552 -13.335 3.305 1.00 0.00 N ATOM 882 CA TYR A 81 16.773 -13.301 4.101 1.00 0.00 C ATOM 883 C TYR A 81 17.009 -11.905 4.667 1.00 0.00 C ATOM 884 O TYR A 81 18.004 -11.662 5.348 1.00 0.00 O ATOM 885 CB TYR A 81 17.971 -13.715 3.240 1.00 0.00 C ATOM 886 CG TYR A 81 18.035 -15.223 3.156 1.00 0.00 C ATOM 887 CD1 TYR A 81 17.258 -15.909 2.220 1.00 0.00 C ATOM 888 CD2 TYR A 81 18.879 -15.934 4.016 1.00 0.00 C ATOM 889 CE1 TYR A 81 17.317 -17.302 2.144 1.00 0.00 C ATOM 890 CE2 TYR A 81 18.941 -17.329 3.941 1.00 0.00 C ATOM 891 CZ TYR A 81 18.159 -18.015 3.005 1.00 0.00 C ATOM 892 OH TYR A 81 18.218 -19.391 2.932 1.00 0.00 O ATOM 0 H TYR A 81 15.694 -13.211 2.303 1.00 0.00 H new ATOM 0 HA TYR A 81 16.662 -14.001 4.929 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.879 -13.288 2.241 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.893 -13.325 3.670 1.00 0.00 H new ATOM 0 HD1 TYR A 81 16.610 -15.360 1.553 1.00 0.00 H new ATOM 0 HD2 TYR A 81 19.483 -15.405 4.738 1.00 0.00 H new ATOM 0 HE1 TYR A 81 16.713 -17.829 1.421 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.593 -17.877 4.606 1.00 0.00 H new ATOM 0 HH TYR A 81 18.852 -19.727 3.599 1.00 0.00 H new ATOM 902 N VAL A 82 16.091 -10.987 4.378 1.00 0.00 N ATOM 903 CA VAL A 82 16.215 -9.621 4.864 1.00 0.00 C ATOM 904 C VAL A 82 14.855 -9.094 5.317 1.00 0.00 C ATOM 905 O VAL A 82 13.812 -9.591 4.892 1.00 0.00 O ATOM 906 CB VAL A 82 16.767 -8.720 3.759 1.00 0.00 C ATOM 907 CG1 VAL A 82 15.677 -8.457 2.719 1.00 0.00 C ATOM 908 CG2 VAL A 82 17.224 -7.394 4.364 1.00 0.00 C ATOM 0 H VAL A 82 15.260 -11.164 3.814 1.00 0.00 H new ATOM 0 HA VAL A 82 16.900 -9.616 5.712 1.00 0.00 H new ATOM 0 HB VAL A 82 17.613 -9.212 3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 82 16.072 -7.815 1.932 1.00 0.00 H new ATOM 0 HG12 VAL A 82 15.351 -9.403 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 82 14.829 -7.966 3.197 1.00 0.00 H new ATOM 0 HG21 VAL A 82 17.618 -6.751 3.577 1.00 0.00 H new ATOM 0 HG22 VAL A 82 16.378 -6.903 4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 82 18.003 -7.581 5.103 1.00 0.00 H new ATOM 918 N ASP A 83 14.877 -8.082 6.177 1.00 0.00 N ATOM 919 CA ASP A 83 13.642 -7.490 6.679 1.00 0.00 C ATOM 920 C ASP A 83 13.704 -5.968 6.582 1.00 0.00 C ATOM 921 O ASP A 83 14.769 -5.368 6.721 1.00 0.00 O ATOM 922 CB ASP A 83 13.413 -7.906 8.131 1.00 0.00 C ATOM 923 CG ASP A 83 12.034 -7.446 8.594 1.00 0.00 C ATOM 924 OD1 ASP A 83 11.057 -7.918 8.037 1.00 0.00 O ATOM 925 OD2 ASP A 83 11.976 -6.629 9.497 1.00 0.00 O ATOM 0 H ASP A 83 15.730 -7.656 6.539 1.00 0.00 H new ATOM 0 HA ASP A 83 12.813 -7.849 6.069 1.00 0.00 H new ATOM 0 HB2 ASP A 83 13.495 -8.989 8.225 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.183 -7.472 8.768 1.00 0.00 H new ATOM 930 N VAL A 84 12.553 -5.353 6.348 1.00 0.00 N ATOM 931 CA VAL A 84 12.481 -3.895 6.239 1.00 0.00 C ATOM 932 C VAL A 84 12.383 -3.257 7.623 1.00 0.00 C ATOM 933 O VAL A 84 11.580 -3.677 8.458 1.00 0.00 O ATOM 934 CB VAL A 84 11.267 -3.488 5.401 1.00 0.00 C ATOM 935 CG1 VAL A 84 10.034 -4.277 5.859 1.00 0.00 C ATOM 936 CG2 VAL A 84 11.007 -1.991 5.578 1.00 0.00 C ATOM 0 H VAL A 84 11.661 -5.833 6.230 1.00 0.00 H new ATOM 0 HA VAL A 84 13.390 -3.544 5.752 1.00 0.00 H new ATOM 0 HB VAL A 84 11.464 -3.704 4.351 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.172 -3.984 5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.218 -5.344 5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.835 -4.064 6.909 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.143 -1.699 4.982 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.812 -1.777 6.629 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.881 -1.429 5.250 1.00 0.00 H new ATOM 946 N ILE A 85 13.216 -2.253 7.868 1.00 0.00 N ATOM 947 CA ILE A 85 13.226 -1.587 9.165 1.00 0.00 C ATOM 948 C ILE A 85 12.228 -0.435 9.180 1.00 0.00 C ATOM 949 O ILE A 85 12.379 0.541 8.444 1.00 0.00 O ATOM 950 CB ILE A 85 14.629 -1.046 9.457 1.00 0.00 C ATOM 951 CG1 ILE A 85 15.652 -2.180 9.329 1.00 0.00 C ATOM 952 CG2 ILE A 85 14.677 -0.495 10.881 1.00 0.00 C ATOM 953 CD1 ILE A 85 17.067 -1.609 9.424 1.00 0.00 C ATOM 0 H ILE A 85 13.887 -1.885 7.194 1.00 0.00 H new ATOM 0 HA ILE A 85 12.944 -2.311 9.930 1.00 0.00 H new ATOM 0 HB ILE A 85 14.864 -0.254 8.746 1.00 0.00 H new ATOM 0 HG12 ILE A 85 15.493 -2.917 10.116 1.00 0.00 H new ATOM 0 HG13 ILE A 85 15.521 -2.696 8.378 1.00 0.00 H new ATOM 0 HG21 ILE A 85 15.675 -0.110 11.089 1.00 0.00 H new ATOM 0 HG22 ILE A 85 13.949 0.310 10.985 1.00 0.00 H new ATOM 0 HG23 ILE A 85 14.441 -1.291 11.587 1.00 0.00 H new ATOM 0 HD11 ILE A 85 17.792 -2.417 9.333 1.00 0.00 H new ATOM 0 HD12 ILE A 85 17.223 -0.889 8.621 1.00 0.00 H new ATOM 0 HD13 ILE A 85 17.195 -1.113 10.386 1.00 0.00 H new ATOM 965 N SER A 86 11.211 -0.554 10.026 1.00 0.00 N ATOM 966 CA SER A 86 10.195 0.483 10.133 1.00 0.00 C ATOM 967 C SER A 86 10.702 1.641 10.986 1.00 0.00 C ATOM 968 O SER A 86 11.699 1.512 11.697 1.00 0.00 O ATOM 969 CB SER A 86 8.922 -0.092 10.756 1.00 0.00 C ATOM 970 OG SER A 86 9.154 -0.362 12.133 1.00 0.00 O ATOM 0 H SER A 86 11.070 -1.353 10.644 1.00 0.00 H new ATOM 0 HA SER A 86 9.973 0.852 9.132 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.098 0.613 10.645 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.631 -1.006 10.238 1.00 0.00 H new ATOM 0 HG SER A 86 8.340 -0.729 12.536 1.00 0.00 H new ATOM 976 N GLU A 87 10.006 2.771 10.918 1.00 0.00 N ATOM 977 CA GLU A 87 10.390 3.944 11.697 1.00 0.00 C ATOM 978 C GLU A 87 10.208 3.680 13.188 1.00 0.00 C ATOM 979 O GLU A 87 10.098 4.641 13.931 1.00 0.00 O ATOM 980 CB GLU A 87 9.542 5.147 11.282 1.00 0.00 C ATOM 981 CG GLU A 87 9.751 5.433 9.795 1.00 0.00 C ATOM 982 CD GLU A 87 11.166 5.952 9.559 1.00 0.00 C ATOM 983 OE1 GLU A 87 11.789 6.372 10.520 1.00 0.00 O ATOM 984 OE2 GLU A 87 11.604 5.925 8.421 1.00 0.00 O ATOM 0 H GLU A 87 9.178 2.900 10.336 1.00 0.00 H new ATOM 0 HA GLU A 87 11.441 4.157 11.503 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.489 4.948 11.480 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.818 6.020 11.873 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.586 4.525 9.215 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.023 6.168 9.451 1.00 0.00 H new TER 991 GLU A 87