USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 660 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 89 TYR OH : rot 180:sc= 0.465 USER MOD Set 1.2: A 96 SER OG : rot 78:sc= -0.403 USER MOD Set 2.1: A 64 SER OG : rot -142:sc= 1.07 USER MOD Set 2.2: A 82 LYS NZ :NH3+ 152:sc= 1.17 (180deg=0) USER MOD Set 3.1: A 55 ASN : amide:sc= -0.162 K(o=-7.5,f=-8.5) USER MOD Set 3.2: A 56 ASN : amide:sc= -7.36! C(o=-7.5!,f=-8.9!) USER MOD Set 4.1: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 48 ASN : amide:sc= 0.107 K(o=0.64,f=-0.79) USER MOD Set 4.3: A 73 ASN : amide:sc= 0.536! C(o=0.64!,f=-0.79!) USER MOD Set 5.1: A 6 HIS : no HE2:sc= -12.3! C(o=-12!,f=-16!) USER MOD Set 5.2: A 99 SER OG : rot 82:sc= 0.313 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 116:sc= 0.158 USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= -0.0105 (180deg=-0.095) USER MOD Single : A 17 ASN :FLIP amide:sc= -4.25! C(o=-6.1!,f=-4.3!) USER MOD Single : A 27 THR OG1 : rot 89:sc= 0.486 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= -0.0369 (180deg=-0.0369) USER MOD Single : A 42 ASN : amide:sc= 0.329 K(o=0.33,f=-5.3!) USER MOD Single : A 43 THR OG1 : rot 34:sc= -2.09! USER MOD Single : A 47 ASN : amide:sc= -1.81 X(o=-1.8,f=-1.4) USER MOD Single : A 49 ASN : amide:sc= -0.117 K(o=-0.12,f=-1) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -87:sc= 0.172 USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 67 ASN : amide:sc= 0.335 K(o=0.33,f=-2!) USER MOD Single : A 70 SER OG : rot 180:sc= 0.003 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0485 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.14) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -2:sc= -0.502 USER MOD Single : A 87 ASN :FLIP amide:sc= -2.7 F(o=-13!,f=-2.7) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0.0275 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 15.358 -7.356 3.021 1.00 0.00 N ATOM 27 CA ASP A 3 13.995 -7.172 3.490 1.00 0.00 C ATOM 28 C ASP A 3 13.568 -5.713 3.433 1.00 0.00 C ATOM 29 O ASP A 3 14.235 -4.856 3.991 1.00 0.00 O ATOM 30 CB ASP A 3 13.882 -7.626 4.939 1.00 0.00 C ATOM 31 CG ASP A 3 14.964 -8.594 5.377 1.00 0.00 C ATOM 32 OD1 ASP A 3 16.088 -8.137 5.668 1.00 0.00 O ATOM 33 OD2 ASP A 3 14.692 -9.805 5.469 1.00 0.00 O ATOM 0 HA ASP A 3 13.351 -7.762 2.837 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.912 -6.749 5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 3 12.910 -8.096 5.085 1.00 0.00 H new ATOM 38 N PRO A 4 12.431 -5.446 2.744 1.00 0.00 N ATOM 39 CA PRO A 4 11.747 -4.122 2.589 1.00 0.00 C ATOM 40 C PRO A 4 11.737 -3.139 3.802 1.00 0.00 C ATOM 41 O PRO A 4 11.221 -2.033 3.673 1.00 0.00 O ATOM 42 CB PRO A 4 10.301 -4.540 2.286 1.00 0.00 C ATOM 43 CG PRO A 4 10.312 -6.025 2.081 1.00 0.00 C ATOM 44 CD PRO A 4 11.730 -6.449 1.948 1.00 0.00 C ATOM 0 HA PRO A 4 12.287 -3.544 1.839 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.640 -4.268 3.109 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.930 -4.030 1.397 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.838 -6.531 2.922 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.747 -6.293 1.188 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.891 -7.457 2.331 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.059 -6.446 0.909 1.00 0.00 H new ATOM 52 N LYS A 5 12.311 -3.517 4.940 1.00 0.00 N ATOM 53 CA LYS A 5 12.178 -2.767 6.209 1.00 0.00 C ATOM 54 C LYS A 5 12.890 -1.404 6.247 1.00 0.00 C ATOM 55 O LYS A 5 13.047 -0.825 7.321 1.00 0.00 O ATOM 56 CB LYS A 5 12.675 -3.622 7.384 1.00 0.00 C ATOM 57 CG LYS A 5 13.818 -4.579 7.039 1.00 0.00 C ATOM 58 CD LYS A 5 15.095 -3.857 6.620 1.00 0.00 C ATOM 59 CE LYS A 5 15.767 -3.175 7.801 1.00 0.00 C ATOM 60 NZ LYS A 5 17.050 -2.530 7.419 1.00 0.00 N ATOM 0 H LYS A 5 12.887 -4.355 5.020 1.00 0.00 H new ATOM 0 HA LYS A 5 11.113 -2.551 6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.003 -2.959 8.185 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.838 -4.202 7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 5 14.030 -5.209 7.903 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.500 -5.240 6.233 1.00 0.00 H new ATOM 0 HD2 LYS A 5 15.786 -4.570 6.170 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.860 -3.115 5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.094 -2.425 8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 5 15.950 -3.908 8.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.473 -2.078 8.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 17.703 -3.249 7.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.873 -1.811 6.688 1.00 0.00 H new ATOM 74 N HIS A 6 13.318 -0.893 5.105 1.00 0.00 N ATOM 75 CA HIS A 6 14.022 0.397 5.051 1.00 0.00 C ATOM 76 C HIS A 6 13.054 1.576 5.162 1.00 0.00 C ATOM 77 O HIS A 6 13.439 2.718 4.903 1.00 0.00 O ATOM 78 CB HIS A 6 14.854 0.521 3.770 1.00 0.00 C ATOM 79 CG HIS A 6 14.150 0.005 2.568 1.00 0.00 C ATOM 80 ND1 HIS A 6 14.013 -1.334 2.311 1.00 0.00 N ATOM 81 CD2 HIS A 6 13.481 0.643 1.594 1.00 0.00 C ATOM 82 CE1 HIS A 6 13.267 -1.493 1.238 1.00 0.00 C ATOM 83 NE2 HIS A 6 12.938 -0.314 0.778 1.00 0.00 N ATOM 0 H HIS A 6 13.195 -1.344 4.198 1.00 0.00 H new ATOM 0 HA HIS A 6 14.694 0.427 5.909 1.00 0.00 H new ATOM 0 HB2 HIS A 6 15.113 1.568 3.611 1.00 0.00 H new ATOM 0 HB3 HIS A 6 15.790 -0.023 3.897 1.00 0.00 H new ATOM 0 HD1 HIS A 6 14.423 -2.087 2.863 1.00 0.00 H new ATOM 0 HD2 HIS A 6 13.388 1.713 1.476 1.00 0.00 H new ATOM 0 HE1 HIS A 6 12.975 -2.440 0.809 1.00 0.00 H new ATOM 92 N VAL A 7 11.804 1.271 5.535 1.00 0.00 N ATOM 93 CA VAL A 7 10.753 2.263 5.802 1.00 0.00 C ATOM 94 C VAL A 7 10.694 3.366 4.736 1.00 0.00 C ATOM 95 O VAL A 7 11.011 3.129 3.573 1.00 0.00 O ATOM 96 CB VAL A 7 10.877 2.863 7.236 1.00 0.00 C ATOM 97 CG1 VAL A 7 10.819 1.746 8.267 1.00 0.00 C ATOM 98 CG2 VAL A 7 12.145 3.691 7.422 1.00 0.00 C ATOM 0 H VAL A 7 11.489 0.309 5.662 1.00 0.00 H new ATOM 0 HA VAL A 7 9.806 1.726 5.748 1.00 0.00 H new ATOM 0 HB VAL A 7 10.036 3.542 7.377 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.906 2.170 9.268 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.870 1.218 8.178 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.640 1.049 8.095 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.178 4.083 8.438 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.019 3.063 7.247 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.146 4.519 6.713 1.00 0.00 H new ATOM 108 N CYS A 8 10.233 4.544 5.121 1.00 0.00 N ATOM 109 CA CYS A 8 10.049 5.637 4.184 1.00 0.00 C ATOM 110 C CYS A 8 10.141 6.986 4.849 1.00 0.00 C ATOM 111 O CYS A 8 9.866 7.143 6.038 1.00 0.00 O ATOM 112 CB CYS A 8 8.674 5.527 3.544 1.00 0.00 C ATOM 113 SG CYS A 8 8.126 7.025 2.645 1.00 0.00 S ATOM 0 H CYS A 8 9.978 4.768 6.083 1.00 0.00 H new ATOM 0 HA CYS A 8 10.845 5.559 3.444 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.677 4.685 2.852 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.944 5.299 4.321 1.00 0.00 H new ATOM 118 N VAL A 9 10.537 7.945 4.042 1.00 0.00 N ATOM 119 CA VAL A 9 10.355 9.343 4.324 1.00 0.00 C ATOM 120 C VAL A 9 10.087 10.010 2.988 1.00 0.00 C ATOM 121 O VAL A 9 10.996 10.235 2.197 1.00 0.00 O ATOM 122 CB VAL A 9 11.633 9.926 4.950 1.00 0.00 C ATOM 123 CG1 VAL A 9 11.677 9.662 6.448 1.00 0.00 C ATOM 124 CG2 VAL A 9 12.836 9.301 4.269 1.00 0.00 C ATOM 0 H VAL A 9 11.004 7.766 3.153 1.00 0.00 H new ATOM 0 HA VAL A 9 9.537 9.504 5.026 1.00 0.00 H new ATOM 0 HB VAL A 9 11.643 11.006 4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 9 12.591 10.085 6.865 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.813 10.125 6.925 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.659 8.587 6.629 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.751 9.705 4.703 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.814 8.221 4.411 1.00 0.00 H new ATOM 0 HG23 VAL A 9 12.809 9.528 3.203 1.00 0.00 H new ATOM 134 N ASP A 10 8.833 10.285 2.728 1.00 0.00 N ATOM 135 CA ASP A 10 8.432 10.847 1.459 1.00 0.00 C ATOM 136 C ASP A 10 7.561 12.067 1.651 1.00 0.00 C ATOM 137 O ASP A 10 6.935 12.216 2.698 1.00 0.00 O ATOM 138 CB ASP A 10 7.711 9.772 0.641 1.00 0.00 C ATOM 139 CG ASP A 10 6.956 10.307 -0.570 1.00 0.00 C ATOM 140 OD1 ASP A 10 7.592 10.873 -1.481 1.00 0.00 O ATOM 141 OD2 ASP A 10 5.717 10.168 -0.612 1.00 0.00 O ATOM 0 H ASP A 10 8.066 10.128 3.382 1.00 0.00 H new ATOM 0 HA ASP A 10 9.319 11.174 0.916 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.442 9.038 0.303 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.009 9.248 1.290 1.00 0.00 H new ATOM 146 N THR A 11 7.521 12.912 0.629 1.00 0.00 N ATOM 147 CA THR A 11 6.498 13.928 0.486 1.00 0.00 C ATOM 148 C THR A 11 6.376 14.903 1.672 1.00 0.00 C ATOM 149 O THR A 11 6.938 14.720 2.750 1.00 0.00 O ATOM 150 CB THR A 11 5.200 13.155 0.196 1.00 0.00 C ATOM 151 OG1 THR A 11 5.159 12.790 -1.183 1.00 0.00 O ATOM 152 CG2 THR A 11 3.937 13.890 0.568 1.00 0.00 C ATOM 0 H THR A 11 8.205 12.908 -0.128 1.00 0.00 H new ATOM 0 HA THR A 11 6.757 14.609 -0.325 1.00 0.00 H new ATOM 0 HB THR A 11 5.227 12.272 0.835 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.181 11.814 -1.264 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.072 13.271 0.329 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.944 14.107 1.636 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.881 14.824 0.008 1.00 0.00 H new ATOM 160 N ARG A 12 5.682 15.992 1.410 1.00 0.00 N ATOM 161 CA ARG A 12 5.509 17.049 2.366 1.00 0.00 C ATOM 162 C ARG A 12 4.265 16.805 3.196 1.00 0.00 C ATOM 163 O ARG A 12 4.263 16.971 4.412 1.00 0.00 O ATOM 164 CB ARG A 12 5.414 18.365 1.627 1.00 0.00 C ATOM 165 CG ARG A 12 6.676 18.712 0.859 1.00 0.00 C ATOM 166 CD ARG A 12 6.817 17.977 -0.468 1.00 0.00 C ATOM 167 NE ARG A 12 8.161 18.147 -1.023 1.00 0.00 N ATOM 168 CZ ARG A 12 8.670 17.418 -2.021 1.00 0.00 C ATOM 169 NH1 ARG A 12 7.905 16.578 -2.706 1.00 0.00 N ATOM 170 NH2 ARG A 12 9.948 17.559 -2.353 1.00 0.00 N ATOM 0 H ARG A 12 5.221 16.163 0.517 1.00 0.00 H new ATOM 0 HA ARG A 12 6.362 17.079 3.044 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.574 18.325 0.934 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.201 19.161 2.341 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.691 19.786 0.671 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.542 18.485 1.482 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.611 16.916 -0.324 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.078 18.352 -1.176 1.00 0.00 H new ATOM 0 HE ARG A 12 8.751 18.874 -0.619 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.916 16.483 -2.473 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.305 16.027 -3.465 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.536 18.221 -1.847 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.341 17.005 -3.114 1.00 0.00 H new ATOM 184 N ASP A 13 3.206 16.414 2.513 1.00 0.00 N ATOM 185 CA ASP A 13 1.966 16.025 3.176 1.00 0.00 C ATOM 186 C ASP A 13 1.355 14.802 2.509 1.00 0.00 C ATOM 187 O ASP A 13 0.608 14.918 1.538 1.00 0.00 O ATOM 188 CB ASP A 13 0.961 17.179 3.170 1.00 0.00 C ATOM 189 CG ASP A 13 -0.352 16.810 3.839 1.00 0.00 C ATOM 190 OD1 ASP A 13 -0.326 16.368 5.005 1.00 0.00 O ATOM 191 OD2 ASP A 13 -1.420 16.977 3.208 1.00 0.00 O ATOM 0 H ASP A 13 3.175 16.356 1.495 1.00 0.00 H new ATOM 0 HA ASP A 13 2.206 15.775 4.209 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.396 18.038 3.680 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.768 17.483 2.141 1.00 0.00 H new ATOM 196 N ILE A 14 1.701 13.627 3.015 1.00 0.00 N ATOM 197 CA ILE A 14 1.120 12.386 2.521 1.00 0.00 C ATOM 198 C ILE A 14 -0.325 12.305 2.974 1.00 0.00 C ATOM 199 O ILE A 14 -0.650 12.670 4.106 1.00 0.00 O ATOM 200 CB ILE A 14 1.920 11.152 3.008 1.00 0.00 C ATOM 201 CG1 ILE A 14 3.336 11.225 2.452 1.00 0.00 C ATOM 202 CG2 ILE A 14 1.257 9.849 2.570 1.00 0.00 C ATOM 203 CD1 ILE A 14 4.404 10.825 3.434 1.00 0.00 C ATOM 0 H ILE A 14 2.380 13.506 3.766 1.00 0.00 H new ATOM 0 HA ILE A 14 1.163 12.384 1.432 1.00 0.00 H new ATOM 0 HB ILE A 14 1.944 11.162 4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.404 10.581 1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.530 12.243 2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.844 9.004 2.928 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.251 9.795 2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.201 9.817 1.482 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.382 10.905 2.960 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.366 11.484 4.301 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.238 9.796 3.753 1.00 0.00 H new ATOM 215 N PRO A 15 -1.213 11.878 2.073 1.00 0.00 N ATOM 216 CA PRO A 15 -2.652 11.836 2.324 1.00 0.00 C ATOM 217 C PRO A 15 -3.027 11.017 3.547 1.00 0.00 C ATOM 218 O PRO A 15 -2.330 10.075 3.926 1.00 0.00 O ATOM 219 CB PRO A 15 -3.187 11.163 1.066 1.00 0.00 C ATOM 220 CG PRO A 15 -2.207 11.531 0.026 1.00 0.00 C ATOM 221 CD PRO A 15 -0.897 11.392 0.715 1.00 0.00 C ATOM 0 HA PRO A 15 -3.055 12.829 2.524 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.254 10.082 1.188 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.187 11.518 0.817 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.276 10.873 -0.841 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.366 12.548 -0.332 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.547 10.360 0.722 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.120 11.989 0.238 1.00 0.00 H new ATOM 229 N LYS A 16 -4.121 11.403 4.177 1.00 0.00 N ATOM 230 CA LYS A 16 -4.736 10.581 5.184 1.00 0.00 C ATOM 231 C LYS A 16 -5.267 9.342 4.497 1.00 0.00 C ATOM 232 O LYS A 16 -5.713 9.426 3.357 1.00 0.00 O ATOM 233 CB LYS A 16 -5.868 11.350 5.856 1.00 0.00 C ATOM 234 CG LYS A 16 -6.561 10.586 6.965 1.00 0.00 C ATOM 235 CD LYS A 16 -5.584 10.130 8.033 1.00 0.00 C ATOM 236 CE LYS A 16 -6.297 9.414 9.172 1.00 0.00 C ATOM 237 NZ LYS A 16 -6.981 8.170 8.726 1.00 0.00 N ATOM 0 H LYS A 16 -4.599 12.287 4.003 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.017 10.303 5.955 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.470 12.279 6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.606 11.623 5.101 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.326 11.217 7.418 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.071 9.719 6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.844 9.464 7.590 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.044 10.992 8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.575 9.168 9.950 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.029 10.087 9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.319 7.643 9.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.789 8.417 8.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.313 7.580 8.190 1.00 0.00 H new ATOM 251 N ASN A 17 -5.205 8.203 5.177 1.00 0.00 N ATOM 252 CA ASN A 17 -5.613 6.918 4.592 1.00 0.00 C ATOM 253 C ASN A 17 -4.606 6.525 3.515 1.00 0.00 C ATOM 254 O ASN A 17 -4.852 5.657 2.677 1.00 0.00 O ATOM 255 CB ASN A 17 -7.039 6.986 4.011 1.00 0.00 C ATOM 256 CG ASN A 17 -8.034 7.551 4.995 1.00 0.00 C ATOM 257 OD1 ASN A 17 -8.128 8.860 5.018 1.00 0.00 O flip ATOM 258 ND2 ASN A 17 -8.676 6.825 5.748 1.00 0.00 N flip ATOM 0 H ASN A 17 -4.875 8.137 6.140 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.627 6.161 5.376 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.033 7.601 3.111 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.355 5.986 3.712 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.570 5.812 5.693 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.316 7.235 6.429 1.00 0.00 H new ATOM 265 N ALA A 18 -3.473 7.205 3.547 1.00 0.00 N ATOM 266 CA ALA A 18 -2.352 6.910 2.673 1.00 0.00 C ATOM 267 C ALA A 18 -1.090 6.688 3.482 1.00 0.00 C ATOM 268 O ALA A 18 -0.954 7.186 4.604 1.00 0.00 O ATOM 269 CB ALA A 18 -2.114 8.025 1.667 1.00 0.00 C ATOM 0 H ALA A 18 -3.304 7.983 4.185 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.602 6.000 2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.267 7.767 1.031 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.004 8.155 1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.900 8.953 2.197 1.00 0.00 H new ATOM 275 N GLY A 19 -0.187 5.925 2.910 1.00 0.00 N ATOM 276 CA GLY A 19 1.111 5.715 3.511 1.00 0.00 C ATOM 277 C GLY A 19 2.211 5.890 2.494 1.00 0.00 C ATOM 278 O GLY A 19 1.968 5.742 1.297 1.00 0.00 O ATOM 0 H GLY A 19 -0.328 5.437 2.025 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.254 6.418 4.332 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.161 4.713 3.937 1.00 0.00 H new ATOM 282 N CYS A 20 3.415 6.189 2.950 1.00 0.00 N ATOM 283 CA CYS A 20 4.504 6.493 2.045 1.00 0.00 C ATOM 284 C CYS A 20 5.528 5.385 2.065 1.00 0.00 C ATOM 285 O CYS A 20 5.682 4.675 3.062 1.00 0.00 O ATOM 286 CB CYS A 20 5.181 7.811 2.412 1.00 0.00 C ATOM 287 SG CYS A 20 6.491 7.665 3.679 1.00 0.00 S ATOM 0 H CYS A 20 3.661 6.227 3.939 1.00 0.00 H new ATOM 0 HA CYS A 20 4.082 6.585 1.044 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.612 8.246 1.511 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.422 8.507 2.771 1.00 0.00 H new ATOM 292 N PHE A 21 6.193 5.208 0.948 1.00 0.00 N ATOM 293 CA PHE A 21 7.307 4.297 0.873 1.00 0.00 C ATOM 294 C PHE A 21 8.512 4.923 0.207 1.00 0.00 C ATOM 295 O PHE A 21 8.394 5.668 -0.747 1.00 0.00 O ATOM 296 CB PHE A 21 6.950 3.027 0.149 1.00 0.00 C ATOM 297 CG PHE A 21 8.143 2.167 -0.053 1.00 0.00 C ATOM 298 CD1 PHE A 21 8.751 1.675 1.047 1.00 0.00 C ATOM 299 CD2 PHE A 21 8.658 1.868 -1.300 1.00 0.00 C ATOM 300 CE1 PHE A 21 9.865 0.884 0.956 1.00 0.00 C ATOM 301 CE2 PHE A 21 9.780 1.074 -1.411 1.00 0.00 C ATOM 302 CZ PHE A 21 10.384 0.579 -0.268 1.00 0.00 C ATOM 0 H PHE A 21 5.979 5.687 0.074 1.00 0.00 H new ATOM 0 HA PHE A 21 7.561 4.057 1.906 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.198 2.481 0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.506 3.269 -0.817 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.350 1.911 2.022 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.182 2.256 -2.188 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.332 0.502 1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.185 0.840 -2.384 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.262 -0.046 -0.345 1.00 0.00 H new ATOM 312 N ARG A 22 9.671 4.622 0.745 1.00 0.00 N ATOM 313 CA ARG A 22 10.914 5.044 0.154 1.00 0.00 C ATOM 314 C ARG A 22 11.853 3.853 0.087 1.00 0.00 C ATOM 315 O ARG A 22 12.191 3.270 1.113 1.00 0.00 O ATOM 316 CB ARG A 22 11.532 6.188 0.947 1.00 0.00 C ATOM 317 CG ARG A 22 12.987 6.381 0.641 1.00 0.00 C ATOM 318 CD ARG A 22 13.549 7.597 1.317 1.00 0.00 C ATOM 319 NE ARG A 22 14.009 8.535 0.323 1.00 0.00 N ATOM 320 CZ ARG A 22 15.088 9.309 0.447 1.00 0.00 C ATOM 321 NH1 ARG A 22 15.859 9.220 1.525 1.00 0.00 N ATOM 322 NH2 ARG A 22 15.405 10.156 -0.521 1.00 0.00 N ATOM 0 H ARG A 22 9.776 4.079 1.602 1.00 0.00 H new ATOM 0 HA ARG A 22 10.731 5.415 -0.854 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.993 7.110 0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.411 5.993 2.013 1.00 0.00 H new ATOM 0 HG2 ARG A 22 13.544 5.500 0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.122 6.471 -0.437 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.788 8.061 1.944 1.00 0.00 H new ATOM 0 HD3 ARG A 22 14.373 7.313 1.972 1.00 0.00 H new ATOM 0 HE ARG A 22 13.469 8.612 -0.539 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.627 8.557 2.264 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.683 9.815 1.613 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.825 10.215 -1.358 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.229 10.750 -0.430 1.00 0.00 H new ATOM 336 N ASP A 23 12.257 3.479 -1.115 1.00 0.00 N ATOM 337 CA ASP A 23 12.947 2.212 -1.302 1.00 0.00 C ATOM 338 C ASP A 23 14.445 2.323 -1.015 1.00 0.00 C ATOM 339 O ASP A 23 14.922 3.363 -0.558 1.00 0.00 O ATOM 340 CB ASP A 23 12.709 1.654 -2.711 1.00 0.00 C ATOM 341 CG ASP A 23 13.658 2.197 -3.767 1.00 0.00 C ATOM 342 OD1 ASP A 23 14.024 3.385 -3.704 1.00 0.00 O ATOM 343 OD2 ASP A 23 14.035 1.427 -4.671 1.00 0.00 O ATOM 0 H ASP A 23 12.122 4.025 -1.966 1.00 0.00 H new ATOM 0 HA ASP A 23 12.526 1.515 -0.578 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.802 0.568 -2.680 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.685 1.878 -3.010 1.00 0.00 H new ATOM 348 N ASP A 24 15.180 1.248 -1.279 1.00 0.00 N ATOM 349 CA ASP A 24 16.614 1.203 -1.005 1.00 0.00 C ATOM 350 C ASP A 24 17.386 2.177 -1.897 1.00 0.00 C ATOM 351 O ASP A 24 18.427 2.710 -1.500 1.00 0.00 O ATOM 352 CB ASP A 24 17.131 -0.224 -1.194 1.00 0.00 C ATOM 353 CG ASP A 24 18.625 -0.360 -0.973 1.00 0.00 C ATOM 354 OD1 ASP A 24 19.078 -0.219 0.182 1.00 0.00 O ATOM 355 OD2 ASP A 24 19.353 -0.638 -1.952 1.00 0.00 O ATOM 0 H ASP A 24 14.805 0.391 -1.685 1.00 0.00 H new ATOM 0 HA ASP A 24 16.775 1.510 0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 24 16.608 -0.886 -0.504 1.00 0.00 H new ATOM 0 HB3 ASP A 24 16.889 -0.559 -2.203 1.00 0.00 H new ATOM 360 N ASP A 25 16.862 2.429 -3.092 1.00 0.00 N ATOM 361 CA ASP A 25 17.511 3.336 -4.042 1.00 0.00 C ATOM 362 C ASP A 25 17.331 4.793 -3.622 1.00 0.00 C ATOM 363 O ASP A 25 18.161 5.646 -3.928 1.00 0.00 O ATOM 364 CB ASP A 25 16.953 3.131 -5.455 1.00 0.00 C ATOM 365 CG ASP A 25 17.609 4.039 -6.483 1.00 0.00 C ATOM 366 OD1 ASP A 25 18.788 3.800 -6.834 1.00 0.00 O ATOM 367 OD2 ASP A 25 16.948 4.991 -6.952 1.00 0.00 O ATOM 0 H ASP A 25 15.990 2.020 -3.429 1.00 0.00 H new ATOM 0 HA ASP A 25 18.576 3.104 -4.044 1.00 0.00 H new ATOM 0 HB2 ASP A 25 17.096 2.092 -5.750 1.00 0.00 H new ATOM 0 HB3 ASP A 25 15.879 3.315 -5.447 1.00 0.00 H new ATOM 372 N GLY A 26 16.244 5.065 -2.913 1.00 0.00 N ATOM 373 CA GLY A 26 15.953 6.419 -2.478 1.00 0.00 C ATOM 374 C GLY A 26 14.658 6.929 -3.070 1.00 0.00 C ATOM 375 O GLY A 26 14.275 8.080 -2.862 1.00 0.00 O ATOM 0 H GLY A 26 15.554 4.369 -2.629 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.892 6.447 -1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 26 16.771 7.079 -2.768 1.00 0.00 H new ATOM 379 N THR A 27 13.986 6.049 -3.795 1.00 0.00 N ATOM 380 CA THR A 27 12.729 6.363 -4.454 1.00 0.00 C ATOM 381 C THR A 27 11.627 6.548 -3.424 1.00 0.00 C ATOM 382 O THR A 27 11.505 5.747 -2.504 1.00 0.00 O ATOM 383 CB THR A 27 12.329 5.212 -5.383 1.00 0.00 C ATOM 384 OG1 THR A 27 13.476 4.745 -6.102 1.00 0.00 O ATOM 385 CG2 THR A 27 11.246 5.631 -6.361 1.00 0.00 C ATOM 0 H THR A 27 14.300 5.090 -3.944 1.00 0.00 H new ATOM 0 HA THR A 27 12.861 7.282 -5.025 1.00 0.00 H new ATOM 0 HB THR A 27 11.929 4.409 -4.764 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.926 4.047 -5.582 1.00 0.00 H new ATOM 0 HG21 THR A 27 10.989 4.788 -7.003 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.361 5.950 -5.810 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.609 6.456 -6.974 1.00 0.00 H new ATOM 393 N GLU A 28 10.827 7.581 -3.583 1.00 0.00 N ATOM 394 CA GLU A 28 9.773 7.871 -2.629 1.00 0.00 C ATOM 395 C GLU A 28 8.410 7.881 -3.308 1.00 0.00 C ATOM 396 O GLU A 28 8.183 8.616 -4.274 1.00 0.00 O ATOM 397 CB GLU A 28 10.048 9.206 -1.952 1.00 0.00 C ATOM 398 CG GLU A 28 11.312 9.217 -1.106 1.00 0.00 C ATOM 399 CD GLU A 28 11.870 10.615 -0.937 1.00 0.00 C ATOM 400 OE1 GLU A 28 11.202 11.470 -0.322 1.00 0.00 O ATOM 401 OE2 GLU A 28 12.983 10.873 -1.439 1.00 0.00 O ATOM 0 H GLU A 28 10.885 8.235 -4.363 1.00 0.00 H new ATOM 0 HA GLU A 28 9.759 7.086 -1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.126 9.980 -2.715 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.198 9.465 -1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.096 8.792 -0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.065 8.580 -1.571 1.00 0.00 H new ATOM 408 N GLU A 29 7.511 7.052 -2.800 1.00 0.00 N ATOM 409 CA GLU A 29 6.185 6.906 -3.364 1.00 0.00 C ATOM 410 C GLU A 29 5.183 6.626 -2.268 1.00 0.00 C ATOM 411 O GLU A 29 5.350 5.690 -1.494 1.00 0.00 O ATOM 412 CB GLU A 29 6.164 5.758 -4.374 1.00 0.00 C ATOM 413 CG GLU A 29 4.765 5.273 -4.737 1.00 0.00 C ATOM 414 CD GLU A 29 4.782 4.124 -5.724 1.00 0.00 C ATOM 415 OE1 GLU A 29 4.829 2.957 -5.284 1.00 0.00 O ATOM 416 OE2 GLU A 29 4.740 4.382 -6.947 1.00 0.00 O ATOM 0 H GLU A 29 7.684 6.463 -1.985 1.00 0.00 H new ATOM 0 HA GLU A 29 5.920 7.835 -3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.673 6.079 -5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.733 4.921 -3.969 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.247 4.960 -3.830 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.196 6.101 -5.160 1.00 0.00 H new ATOM 423 N TRP A 30 4.153 7.433 -2.191 1.00 0.00 N ATOM 424 CA TRP A 30 3.076 7.144 -1.283 1.00 0.00 C ATOM 425 C TRP A 30 1.925 6.515 -2.053 1.00 0.00 C ATOM 426 O TRP A 30 1.776 6.724 -3.260 1.00 0.00 O ATOM 427 CB TRP A 30 2.630 8.392 -0.504 1.00 0.00 C ATOM 428 CG TRP A 30 2.085 9.506 -1.338 1.00 0.00 C ATOM 429 CD1 TRP A 30 2.709 10.678 -1.644 1.00 0.00 C ATOM 430 CD2 TRP A 30 0.797 9.563 -1.947 1.00 0.00 C ATOM 431 NE1 TRP A 30 1.887 11.461 -2.415 1.00 0.00 N ATOM 432 CE2 TRP A 30 0.705 10.797 -2.615 1.00 0.00 C ATOM 433 CE3 TRP A 30 -0.285 8.685 -1.997 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -0.432 11.174 -3.316 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -1.412 9.061 -2.696 1.00 0.00 C ATOM 436 CH2 TRP A 30 -1.476 10.299 -3.348 1.00 0.00 C ATOM 0 H TRP A 30 4.040 8.285 -2.740 1.00 0.00 H new ATOM 0 HA TRP A 30 3.429 6.434 -0.535 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.870 8.096 0.219 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.481 8.768 0.064 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.705 10.951 -1.326 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.118 12.385 -2.779 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.241 7.728 -1.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -0.487 12.128 -3.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -2.258 8.391 -2.742 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.372 10.566 -3.888 1.00 0.00 H new ATOM 447 N ARG A 31 1.140 5.730 -1.355 1.00 0.00 N ATOM 448 CA ARG A 31 0.017 5.016 -1.938 1.00 0.00 C ATOM 449 C ARG A 31 -1.171 5.126 -1.016 1.00 0.00 C ATOM 450 O ARG A 31 -1.073 5.703 0.062 1.00 0.00 O ATOM 451 CB ARG A 31 0.333 3.542 -2.179 1.00 0.00 C ATOM 452 CG ARG A 31 1.394 3.287 -3.229 1.00 0.00 C ATOM 453 CD ARG A 31 1.428 1.825 -3.649 1.00 0.00 C ATOM 454 NE ARG A 31 2.612 1.531 -4.453 1.00 0.00 N ATOM 455 CZ ARG A 31 2.729 0.506 -5.293 1.00 0.00 C ATOM 456 NH1 ARG A 31 1.771 -0.413 -5.386 1.00 0.00 N ATOM 457 NH2 ARG A 31 3.837 0.387 -6.009 1.00 0.00 N ATOM 0 H ARG A 31 1.260 5.564 -0.356 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.200 5.470 -2.905 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.656 3.095 -1.239 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.583 3.032 -2.476 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.201 3.912 -4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.370 3.577 -2.839 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.420 1.190 -2.763 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.530 1.587 -4.220 1.00 0.00 H new ATOM 0 HE ARG A 31 3.410 2.160 -4.363 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.933 -0.337 -4.809 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.874 -1.194 -6.034 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.584 1.075 -5.911 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.944 -0.393 -6.658 1.00 0.00 H new ATOM 471 N CYS A 32 -2.265 4.523 -1.416 1.00 0.00 N ATOM 472 CA CYS A 32 -3.498 4.603 -0.665 1.00 0.00 C ATOM 473 C CYS A 32 -3.755 3.242 -0.087 1.00 0.00 C ATOM 474 O CYS A 32 -3.702 2.238 -0.795 1.00 0.00 O ATOM 475 CB CYS A 32 -4.662 4.992 -1.578 1.00 0.00 C ATOM 476 SG CYS A 32 -4.436 6.581 -2.431 1.00 0.00 S ATOM 0 H CYS A 32 -2.327 3.965 -2.267 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.413 5.359 0.116 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.803 4.209 -2.323 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.576 5.037 -0.985 1.00 0.00 H new ATOM 481 N LEU A 33 -3.980 3.226 1.217 1.00 0.00 N ATOM 482 CA LEU A 33 -3.979 1.999 1.984 1.00 0.00 C ATOM 483 C LEU A 33 -5.046 1.040 1.475 1.00 0.00 C ATOM 484 O LEU A 33 -5.925 1.415 0.706 1.00 0.00 O ATOM 485 CB LEU A 33 -4.179 2.288 3.473 1.00 0.00 C ATOM 486 CG LEU A 33 -3.289 3.380 4.084 1.00 0.00 C ATOM 487 CD1 LEU A 33 -3.228 3.230 5.593 1.00 0.00 C ATOM 488 CD2 LEU A 33 -1.888 3.370 3.503 1.00 0.00 C ATOM 0 H LEU A 33 -4.168 4.063 1.769 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.006 1.524 1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.220 2.570 3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.013 1.363 4.026 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.741 4.340 3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.593 4.011 6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.232 3.317 6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.815 2.253 5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.296 4.160 3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.420 2.405 3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.939 3.538 2.427 1.00 0.00 H new ATOM 500 N LEU A 34 -4.963 -0.189 1.926 1.00 0.00 N ATOM 501 CA LEU A 34 -5.757 -1.261 1.386 1.00 0.00 C ATOM 502 C LEU A 34 -7.238 -1.038 1.622 1.00 0.00 C ATOM 503 O LEU A 34 -7.657 -0.661 2.710 1.00 0.00 O ATOM 504 CB LEU A 34 -5.273 -2.564 1.997 1.00 0.00 C ATOM 505 CG LEU A 34 -3.766 -2.755 1.853 1.00 0.00 C ATOM 506 CD1 LEU A 34 -3.314 -4.079 2.435 1.00 0.00 C ATOM 507 CD2 LEU A 34 -3.369 -2.631 0.392 1.00 0.00 C ATOM 0 H LEU A 34 -4.339 -0.472 2.682 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.634 -1.300 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.539 -2.586 3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.788 -3.398 1.521 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.263 -1.972 2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.235 -4.180 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.566 -4.115 3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.815 -4.895 1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.292 -2.768 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.886 -3.393 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.644 -1.643 0.023 1.00 0.00 H new ATOM 519 N GLY A 35 -8.014 -1.234 0.573 1.00 0.00 N ATOM 520 CA GLY A 35 -9.443 -1.016 0.649 1.00 0.00 C ATOM 521 C GLY A 35 -9.810 0.425 0.389 1.00 0.00 C ATOM 522 O GLY A 35 -10.987 0.799 0.440 1.00 0.00 O ATOM 0 H GLY A 35 -7.678 -1.543 -0.339 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.946 -1.655 -0.077 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.803 -1.309 1.635 1.00 0.00 H new ATOM 526 N TYR A 36 -8.803 1.239 0.121 1.00 0.00 N ATOM 527 CA TYR A 36 -9.004 2.654 -0.101 1.00 0.00 C ATOM 528 C TYR A 36 -8.867 2.971 -1.578 1.00 0.00 C ATOM 529 O TYR A 36 -8.753 2.068 -2.406 1.00 0.00 O ATOM 530 CB TYR A 36 -8.007 3.479 0.711 1.00 0.00 C ATOM 531 CG TYR A 36 -8.063 3.238 2.209 1.00 0.00 C ATOM 532 CD1 TYR A 36 -8.913 2.295 2.778 1.00 0.00 C ATOM 533 CD2 TYR A 36 -7.255 3.964 3.052 1.00 0.00 C ATOM 534 CE1 TYR A 36 -8.951 2.091 4.142 1.00 0.00 C ATOM 535 CE2 TYR A 36 -7.285 3.767 4.420 1.00 0.00 C ATOM 536 CZ TYR A 36 -8.133 2.831 4.959 1.00 0.00 C ATOM 537 OH TYR A 36 -8.164 2.633 6.322 1.00 0.00 O ATOM 0 H TYR A 36 -7.831 0.937 0.052 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.010 2.916 0.228 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.000 3.259 0.358 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.188 4.537 0.519 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.557 1.710 2.138 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.584 4.702 2.638 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.619 1.355 4.564 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.642 4.349 5.064 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.524 3.236 6.755 1.00 0.00 H new ATOM 547 N LYS A 37 -8.904 4.248 -1.905 1.00 0.00 N ATOM 548 CA LYS A 37 -8.843 4.681 -3.273 1.00 0.00 C ATOM 549 C LYS A 37 -8.239 6.069 -3.350 1.00 0.00 C ATOM 550 O LYS A 37 -8.054 6.736 -2.329 1.00 0.00 O ATOM 551 CB LYS A 37 -10.251 4.698 -3.857 1.00 0.00 C ATOM 552 CG LYS A 37 -11.183 5.667 -3.156 1.00 0.00 C ATOM 553 CD LYS A 37 -12.587 5.580 -3.707 1.00 0.00 C ATOM 554 CE LYS A 37 -13.475 6.668 -3.130 1.00 0.00 C ATOM 555 NZ LYS A 37 -14.842 6.615 -3.706 1.00 0.00 N ATOM 0 H LYS A 37 -8.977 5.006 -1.227 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.219 3.993 -3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.195 4.960 -4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.672 3.694 -3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.196 5.452 -2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.807 6.684 -3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.560 5.668 -4.793 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.010 4.602 -3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.531 6.558 -2.047 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.033 7.644 -3.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.423 7.371 -3.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.790 6.745 -4.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.272 5.692 -3.495 1.00 0.00 H new ATOM 569 N LYS A 38 -7.945 6.494 -4.560 1.00 0.00 N ATOM 570 CA LYS A 38 -7.404 7.821 -4.791 1.00 0.00 C ATOM 571 C LYS A 38 -8.543 8.805 -4.979 1.00 0.00 C ATOM 572 O LYS A 38 -9.449 8.569 -5.780 1.00 0.00 O ATOM 573 CB LYS A 38 -6.501 7.819 -6.024 1.00 0.00 C ATOM 574 CG LYS A 38 -5.517 8.963 -6.041 1.00 0.00 C ATOM 575 CD LYS A 38 -4.359 8.690 -5.107 1.00 0.00 C ATOM 576 CE LYS A 38 -3.137 8.209 -5.875 1.00 0.00 C ATOM 577 NZ LYS A 38 -3.335 6.885 -6.527 1.00 0.00 N ATOM 0 H LYS A 38 -8.072 5.938 -5.405 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.808 8.119 -3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.954 6.877 -6.065 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.120 7.867 -6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.145 9.113 -7.054 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.019 9.884 -5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.112 9.597 -4.555 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.650 7.939 -4.373 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.881 8.946 -6.636 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.289 8.147 -5.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.468 6.614 -7.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.551 6.170 -5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.125 6.945 -7.201 1.00 0.00 H new ATOM 591 N GLY A 39 -8.504 9.896 -4.231 1.00 0.00 N ATOM 592 CA GLY A 39 -9.588 10.848 -4.271 1.00 0.00 C ATOM 593 C GLY A 39 -9.334 11.993 -5.228 1.00 0.00 C ATOM 594 O GLY A 39 -9.299 11.802 -6.443 1.00 0.00 O ATOM 0 H GLY A 39 -7.741 10.137 -3.598 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.504 10.335 -4.562 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.751 11.248 -3.270 1.00 0.00 H new ATOM 598 N GLU A 40 -9.136 13.180 -4.673 1.00 0.00 N ATOM 599 CA GLU A 40 -8.942 14.394 -5.460 1.00 0.00 C ATOM 600 C GLU A 40 -7.496 14.524 -5.948 1.00 0.00 C ATOM 601 O GLU A 40 -6.791 15.479 -5.616 1.00 0.00 O ATOM 602 CB GLU A 40 -9.337 15.616 -4.623 1.00 0.00 C ATOM 603 CG GLU A 40 -8.582 15.727 -3.306 1.00 0.00 C ATOM 604 CD GLU A 40 -9.110 16.831 -2.416 1.00 0.00 C ATOM 605 OE1 GLU A 40 -10.292 16.765 -2.019 1.00 0.00 O ATOM 606 OE2 GLU A 40 -8.350 17.763 -2.100 1.00 0.00 O ATOM 0 H GLU A 40 -9.105 13.331 -3.665 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.579 14.336 -6.342 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.162 16.518 -5.209 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.406 15.573 -4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.646 14.777 -2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.527 15.906 -3.512 1.00 0.00 H new ATOM 613 N GLY A 41 -7.049 13.558 -6.735 1.00 0.00 N ATOM 614 CA GLY A 41 -5.717 13.626 -7.294 1.00 0.00 C ATOM 615 C GLY A 41 -4.668 13.022 -6.382 1.00 0.00 C ATOM 616 O GLY A 41 -4.373 11.829 -6.463 1.00 0.00 O ATOM 0 H GLY A 41 -7.584 12.730 -6.996 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.703 13.106 -8.252 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.464 14.667 -7.493 1.00 0.00 H new ATOM 620 N ASN A 42 -4.109 13.838 -5.507 1.00 0.00 N ATOM 621 CA ASN A 42 -3.076 13.379 -4.590 1.00 0.00 C ATOM 622 C ASN A 42 -3.639 13.209 -3.186 1.00 0.00 C ATOM 623 O ASN A 42 -3.135 13.776 -2.217 1.00 0.00 O ATOM 624 CB ASN A 42 -1.870 14.335 -4.596 1.00 0.00 C ATOM 625 CG ASN A 42 -2.215 15.773 -4.233 1.00 0.00 C ATOM 626 OD1 ASN A 42 -3.332 16.243 -4.456 1.00 0.00 O ATOM 627 ND2 ASN A 42 -1.244 16.490 -3.690 1.00 0.00 N ATOM 0 H ASN A 42 -4.352 14.824 -5.410 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.726 12.404 -4.931 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.122 13.964 -3.895 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.414 14.321 -5.586 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.408 17.466 -3.442 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.332 16.067 -3.520 1.00 0.00 H new ATOM 634 N THR A 43 -4.688 12.403 -3.091 1.00 0.00 N ATOM 635 CA THR A 43 -5.334 12.116 -1.820 1.00 0.00 C ATOM 636 C THR A 43 -5.806 10.681 -1.765 1.00 0.00 C ATOM 637 O THR A 43 -6.066 10.065 -2.798 1.00 0.00 O ATOM 638 CB THR A 43 -6.541 13.022 -1.581 1.00 0.00 C ATOM 639 OG1 THR A 43 -7.281 13.153 -2.791 1.00 0.00 O ATOM 640 CG2 THR A 43 -6.104 14.385 -1.085 1.00 0.00 C ATOM 0 H THR A 43 -5.113 11.932 -3.890 1.00 0.00 H new ATOM 0 HA THR A 43 -4.587 12.297 -1.047 1.00 0.00 H new ATOM 0 HB THR A 43 -7.172 12.572 -0.815 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.235 12.314 -3.295 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.981 15.011 -0.922 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.559 14.274 -0.148 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.457 14.852 -1.828 1.00 0.00 H new ATOM 648 N CYS A 44 -5.929 10.158 -0.561 1.00 0.00 N ATOM 649 CA CYS A 44 -6.436 8.820 -0.373 1.00 0.00 C ATOM 650 C CYS A 44 -7.622 8.840 0.564 1.00 0.00 C ATOM 651 O CYS A 44 -7.655 9.587 1.541 1.00 0.00 O ATOM 652 CB CYS A 44 -5.350 7.891 0.149 1.00 0.00 C ATOM 653 SG CYS A 44 -3.886 7.831 -0.934 1.00 0.00 S ATOM 0 H CYS A 44 -5.683 10.644 0.302 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.762 8.437 -1.340 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -5.047 8.218 1.144 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.759 6.886 0.255 1.00 0.00 H new ATOM 658 N VAL A 45 -8.595 8.033 0.234 1.00 0.00 N ATOM 659 CA VAL A 45 -9.837 7.956 0.969 1.00 0.00 C ATOM 660 C VAL A 45 -10.286 6.515 0.989 1.00 0.00 C ATOM 661 O VAL A 45 -10.067 5.791 0.022 1.00 0.00 O ATOM 662 CB VAL A 45 -10.925 8.833 0.311 1.00 0.00 C ATOM 663 CG1 VAL A 45 -10.604 10.312 0.487 1.00 0.00 C ATOM 664 CG2 VAL A 45 -11.052 8.509 -1.175 1.00 0.00 C ATOM 0 H VAL A 45 -8.550 7.400 -0.564 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.680 8.323 1.983 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.873 8.616 0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.383 10.912 0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.555 10.550 1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.644 10.534 0.021 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.824 9.137 -1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.100 8.697 -1.671 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.323 7.460 -1.297 1.00 0.00 H new ATOM 674 N GLU A 46 -10.886 6.078 2.075 1.00 0.00 N ATOM 675 CA GLU A 46 -11.246 4.683 2.173 1.00 0.00 C ATOM 676 C GLU A 46 -12.451 4.385 1.299 1.00 0.00 C ATOM 677 O GLU A 46 -13.573 4.814 1.572 1.00 0.00 O ATOM 678 CB GLU A 46 -11.488 4.209 3.605 1.00 0.00 C ATOM 679 CG GLU A 46 -11.104 5.179 4.702 1.00 0.00 C ATOM 680 CD GLU A 46 -12.057 6.348 4.834 1.00 0.00 C ATOM 681 OE1 GLU A 46 -13.057 6.221 5.566 1.00 0.00 O ATOM 682 OE2 GLU A 46 -11.807 7.402 4.209 1.00 0.00 O ATOM 0 H GLU A 46 -11.129 6.652 2.882 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.385 4.120 1.813 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.546 3.970 3.713 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.935 3.282 3.758 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.063 4.645 5.651 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.101 5.558 4.506 1.00 0.00 H new ATOM 689 N ASN A 47 -12.183 3.624 0.255 1.00 0.00 N ATOM 690 CA ASN A 47 -13.148 3.327 -0.790 1.00 0.00 C ATOM 691 C ASN A 47 -14.335 2.548 -0.239 1.00 0.00 C ATOM 692 O ASN A 47 -15.477 2.801 -0.608 1.00 0.00 O ATOM 693 CB ASN A 47 -12.423 2.564 -1.911 1.00 0.00 C ATOM 694 CG ASN A 47 -13.324 1.959 -2.968 1.00 0.00 C ATOM 695 OD1 ASN A 47 -14.466 2.367 -3.163 1.00 0.00 O ATOM 696 ND2 ASN A 47 -12.768 1.010 -3.699 1.00 0.00 N ATOM 0 H ASN A 47 -11.274 3.187 0.105 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.558 4.252 -1.195 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.724 3.244 -2.398 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.831 1.767 -1.462 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -13.291 0.583 -4.464 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.816 0.704 -3.499 1.00 0.00 H new ATOM 703 N ASN A 48 -14.047 1.601 0.655 1.00 0.00 N ATOM 704 CA ASN A 48 -15.080 0.815 1.348 1.00 0.00 C ATOM 705 C ASN A 48 -15.856 -0.103 0.411 1.00 0.00 C ATOM 706 O ASN A 48 -16.589 -0.982 0.861 1.00 0.00 O ATOM 707 CB ASN A 48 -16.021 1.706 2.155 1.00 0.00 C ATOM 708 CG ASN A 48 -15.459 1.972 3.533 1.00 0.00 C ATOM 709 OD1 ASN A 48 -15.727 1.226 4.476 1.00 0.00 O ATOM 710 ND2 ASN A 48 -14.652 3.012 3.663 1.00 0.00 N ATOM 0 H ASN A 48 -13.094 1.354 0.922 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.549 0.169 2.047 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.174 2.650 1.631 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.997 1.228 2.241 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.228 3.219 4.567 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.454 3.607 2.859 1.00 0.00 H new ATOM 717 N ASN A 49 -15.669 0.083 -0.884 1.00 0.00 N ATOM 718 CA ASN A 49 -16.068 -0.908 -1.871 1.00 0.00 C ATOM 719 C ASN A 49 -14.869 -1.254 -2.767 1.00 0.00 C ATOM 720 O ASN A 49 -14.930 -1.126 -3.993 1.00 0.00 O ATOM 721 CB ASN A 49 -17.219 -0.373 -2.706 1.00 0.00 C ATOM 722 CG ASN A 49 -17.828 -1.427 -3.619 1.00 0.00 C ATOM 723 OD1 ASN A 49 -17.794 -2.622 -3.322 1.00 0.00 O ATOM 724 ND2 ASN A 49 -18.394 -0.992 -4.735 1.00 0.00 N ATOM 0 H ASN A 49 -15.239 0.919 -1.280 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.401 -1.813 -1.362 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -17.992 0.017 -2.043 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -16.866 0.463 -3.310 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -18.821 -1.655 -5.382 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -18.403 0.006 -4.947 1.00 0.00 H new ATOM 731 N PRO A 50 -13.735 -1.645 -2.152 1.00 0.00 N ATOM 732 CA PRO A 50 -12.522 -1.995 -2.877 1.00 0.00 C ATOM 733 C PRO A 50 -12.629 -3.321 -3.609 1.00 0.00 C ATOM 734 O PRO A 50 -13.078 -4.324 -3.059 1.00 0.00 O ATOM 735 CB PRO A 50 -11.454 -2.067 -1.799 1.00 0.00 C ATOM 736 CG PRO A 50 -12.184 -2.313 -0.533 1.00 0.00 C ATOM 737 CD PRO A 50 -13.548 -1.741 -0.707 1.00 0.00 C ATOM 0 HA PRO A 50 -12.306 -1.264 -3.656 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.743 -2.868 -2.004 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.884 -1.139 -1.749 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.237 -3.380 -0.318 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.672 -1.843 0.307 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.305 -2.380 -0.252 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.630 -0.763 -0.232 1.00 0.00 H new ATOM 745 N THR A 51 -12.208 -3.306 -4.853 1.00 0.00 N ATOM 746 CA THR A 51 -12.237 -4.476 -5.697 1.00 0.00 C ATOM 747 C THR A 51 -10.833 -4.803 -6.190 1.00 0.00 C ATOM 748 O THR A 51 -9.994 -3.908 -6.320 1.00 0.00 O ATOM 749 CB THR A 51 -13.171 -4.260 -6.910 1.00 0.00 C ATOM 750 OG1 THR A 51 -13.132 -5.404 -7.771 1.00 0.00 O ATOM 751 CG2 THR A 51 -12.775 -3.010 -7.696 1.00 0.00 C ATOM 0 H THR A 51 -11.833 -2.475 -5.310 1.00 0.00 H new ATOM 0 HA THR A 51 -12.619 -5.308 -5.105 1.00 0.00 H new ATOM 0 HB THR A 51 -14.185 -4.123 -6.534 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.728 -5.259 -8.535 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.449 -2.884 -8.543 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.840 -2.137 -7.047 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.753 -3.117 -8.059 1.00 0.00 H new ATOM 759 N CYS A 52 -10.566 -6.073 -6.457 1.00 0.00 N ATOM 760 CA CYS A 52 -9.364 -6.415 -7.169 1.00 0.00 C ATOM 761 C CYS A 52 -9.671 -6.214 -8.640 1.00 0.00 C ATOM 762 O CYS A 52 -10.651 -6.757 -9.159 1.00 0.00 O ATOM 763 CB CYS A 52 -8.970 -7.866 -6.897 1.00 0.00 C ATOM 764 SG CYS A 52 -8.022 -8.115 -5.363 1.00 0.00 S ATOM 0 H CYS A 52 -11.157 -6.862 -6.194 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.527 -5.794 -6.850 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.874 -8.473 -6.853 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -8.381 -8.233 -7.737 1.00 0.00 H new ATOM 769 N ASP A 53 -8.792 -5.473 -9.298 1.00 0.00 N ATOM 770 CA ASP A 53 -9.075 -4.830 -10.584 1.00 0.00 C ATOM 771 C ASP A 53 -8.255 -3.569 -10.643 1.00 0.00 C ATOM 772 O ASP A 53 -7.510 -3.325 -11.590 1.00 0.00 O ATOM 773 CB ASP A 53 -10.547 -4.413 -10.705 1.00 0.00 C ATOM 774 CG ASP A 53 -10.874 -3.811 -12.059 1.00 0.00 C ATOM 775 OD1 ASP A 53 -11.043 -4.580 -13.028 1.00 0.00 O ATOM 776 OD2 ASP A 53 -10.980 -2.572 -12.156 1.00 0.00 O ATOM 0 H ASP A 53 -7.848 -5.296 -8.954 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.842 -5.535 -11.382 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.182 -5.282 -10.535 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.781 -3.690 -9.924 1.00 0.00 H new ATOM 781 N ILE A 54 -8.405 -2.779 -9.584 1.00 0.00 N ATOM 782 CA ILE A 54 -7.672 -1.547 -9.428 1.00 0.00 C ATOM 783 C ILE A 54 -6.253 -1.867 -9.055 1.00 0.00 C ATOM 784 O ILE A 54 -5.948 -2.002 -7.866 1.00 0.00 O ATOM 785 CB ILE A 54 -8.263 -0.678 -8.315 1.00 0.00 C ATOM 786 CG1 ILE A 54 -9.748 -0.408 -8.592 1.00 0.00 C ATOM 787 CG2 ILE A 54 -7.444 0.606 -8.189 1.00 0.00 C ATOM 788 CD1 ILE A 54 -10.442 0.375 -7.497 1.00 0.00 C ATOM 0 H ILE A 54 -9.042 -2.984 -8.814 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.727 -1.003 -10.371 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.210 -1.198 -7.358 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.839 0.139 -9.530 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.262 -1.360 -8.727 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.862 1.228 -7.397 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.411 0.356 -7.947 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.474 1.151 -9.132 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.488 0.526 -7.765 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.384 -0.179 -6.560 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.955 1.343 -7.377 1.00 0.00 H new ATOM 800 N ASN A 55 -5.409 -2.024 -10.067 1.00 0.00 N ATOM 801 CA ASN A 55 -4.027 -2.442 -9.874 1.00 0.00 C ATOM 802 C ASN A 55 -3.977 -3.904 -9.447 1.00 0.00 C ATOM 803 O ASN A 55 -3.338 -4.739 -10.083 1.00 0.00 O ATOM 804 CB ASN A 55 -3.336 -1.563 -8.825 1.00 0.00 C ATOM 805 CG ASN A 55 -1.831 -1.716 -8.853 1.00 0.00 C ATOM 806 OD1 ASN A 55 -1.238 -1.931 -9.911 1.00 0.00 O ATOM 807 ND2 ASN A 55 -1.197 -1.624 -7.702 1.00 0.00 N ATOM 0 H ASN A 55 -5.663 -1.866 -11.042 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.498 -2.329 -10.820 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.597 -0.519 -8.999 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.708 -1.823 -7.834 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.183 -1.732 -7.668 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.720 -1.445 -6.845 1.00 0.00 H new ATOM 814 N ASN A 56 -4.707 -4.167 -8.381 1.00 0.00 N ATOM 815 CA ASN A 56 -4.740 -5.442 -7.672 1.00 0.00 C ATOM 816 C ASN A 56 -5.347 -5.207 -6.298 1.00 0.00 C ATOM 817 O ASN A 56 -4.817 -5.635 -5.289 1.00 0.00 O ATOM 818 CB ASN A 56 -3.349 -6.054 -7.538 1.00 0.00 C ATOM 819 CG ASN A 56 -2.385 -5.140 -6.877 1.00 0.00 C ATOM 820 OD1 ASN A 56 -2.646 -3.957 -6.674 1.00 0.00 O ATOM 821 ND2 ASN A 56 -1.251 -5.673 -6.565 1.00 0.00 N ATOM 0 H ASN A 56 -5.323 -3.470 -7.963 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.343 -6.149 -8.242 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.417 -6.980 -6.966 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.975 -6.317 -8.527 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.524 -5.106 -6.129 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.083 -6.661 -6.754 1.00 0.00 H new ATOM 828 N GLY A 57 -6.439 -4.456 -6.266 1.00 0.00 N ATOM 829 CA GLY A 57 -7.127 -4.199 -5.018 1.00 0.00 C ATOM 830 C GLY A 57 -6.505 -3.068 -4.220 1.00 0.00 C ATOM 831 O GLY A 57 -7.058 -2.642 -3.209 1.00 0.00 O ATOM 0 H GLY A 57 -6.861 -4.019 -7.085 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.169 -3.958 -5.227 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.124 -5.107 -4.414 1.00 0.00 H new ATOM 835 N GLY A 58 -5.367 -2.566 -4.684 1.00 0.00 N ATOM 836 CA GLY A 58 -4.641 -1.564 -3.934 1.00 0.00 C ATOM 837 C GLY A 58 -3.374 -2.140 -3.334 1.00 0.00 C ATOM 838 O GLY A 58 -2.818 -1.605 -2.381 1.00 0.00 O ATOM 0 H GLY A 58 -4.935 -2.837 -5.568 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.390 -0.728 -4.587 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.276 -1.169 -3.141 1.00 0.00 H new ATOM 842 N CYS A 59 -2.912 -3.218 -3.936 1.00 0.00 N ATOM 843 CA CYS A 59 -1.784 -3.994 -3.447 1.00 0.00 C ATOM 844 C CYS A 59 -0.583 -3.763 -4.337 1.00 0.00 C ATOM 845 O CYS A 59 -0.594 -2.923 -5.239 1.00 0.00 O ATOM 846 CB CYS A 59 -2.103 -5.497 -3.434 1.00 0.00 C ATOM 847 SG CYS A 59 -3.679 -5.960 -2.645 1.00 0.00 S ATOM 0 H CYS A 59 -3.317 -3.588 -4.796 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.573 -3.670 -2.428 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.113 -5.857 -4.463 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.294 -6.018 -2.922 1.00 0.00 H new ATOM 852 N ASP A 60 0.455 -4.491 -4.046 1.00 0.00 N ATOM 853 CA ASP A 60 1.634 -4.519 -4.872 1.00 0.00 C ATOM 854 C ASP A 60 1.539 -5.772 -5.706 1.00 0.00 C ATOM 855 O ASP A 60 0.967 -6.752 -5.259 1.00 0.00 O ATOM 856 CB ASP A 60 2.842 -4.598 -3.957 1.00 0.00 C ATOM 857 CG ASP A 60 4.167 -4.480 -4.681 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.608 -5.479 -5.290 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.784 -3.402 -4.621 1.00 0.00 O ATOM 0 H ASP A 60 0.511 -5.089 -3.222 1.00 0.00 H new ATOM 0 HA ASP A 60 1.722 -3.638 -5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.774 -3.805 -3.212 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.816 -5.545 -3.418 1.00 0.00 H new ATOM 864 N PRO A 61 2.005 -5.732 -6.961 1.00 0.00 N ATOM 865 CA PRO A 61 1.883 -6.862 -7.884 1.00 0.00 C ATOM 866 C PRO A 61 2.454 -8.153 -7.299 1.00 0.00 C ATOM 867 O PRO A 61 2.188 -9.248 -7.794 1.00 0.00 O ATOM 868 CB PRO A 61 2.705 -6.443 -9.100 1.00 0.00 C ATOM 869 CG PRO A 61 2.833 -4.964 -9.023 1.00 0.00 C ATOM 870 CD PRO A 61 2.670 -4.576 -7.582 1.00 0.00 C ATOM 0 HA PRO A 61 0.838 -7.073 -8.111 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.685 -6.920 -9.091 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.213 -6.744 -10.025 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.804 -4.642 -9.400 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.075 -4.480 -9.639 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.634 -4.374 -7.114 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.070 -3.671 -7.480 1.00 0.00 H new ATOM 878 N THR A 62 3.267 -8.007 -6.264 1.00 0.00 N ATOM 879 CA THR A 62 3.827 -9.142 -5.555 1.00 0.00 C ATOM 880 C THR A 62 2.912 -9.547 -4.406 1.00 0.00 C ATOM 881 O THR A 62 2.884 -10.704 -3.988 1.00 0.00 O ATOM 882 CB THR A 62 5.231 -8.795 -5.032 1.00 0.00 C ATOM 883 OG1 THR A 62 5.150 -7.761 -4.039 1.00 0.00 O ATOM 884 CG2 THR A 62 6.099 -8.313 -6.180 1.00 0.00 C ATOM 0 H THR A 62 3.555 -7.101 -5.895 1.00 0.00 H new ATOM 0 HA THR A 62 3.911 -9.984 -6.242 1.00 0.00 H new ATOM 0 HB THR A 62 5.668 -9.689 -4.586 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.176 -6.884 -4.477 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.093 -8.068 -5.806 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.177 -9.098 -6.932 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.651 -7.426 -6.628 1.00 0.00 H new ATOM 892 N ALA A 63 2.142 -8.585 -3.918 1.00 0.00 N ATOM 893 CA ALA A 63 1.138 -8.833 -2.908 1.00 0.00 C ATOM 894 C ALA A 63 -0.105 -9.421 -3.551 1.00 0.00 C ATOM 895 O ALA A 63 -0.851 -8.726 -4.239 1.00 0.00 O ATOM 896 CB ALA A 63 0.790 -7.554 -2.159 1.00 0.00 C ATOM 0 H ALA A 63 2.200 -7.611 -4.215 1.00 0.00 H new ATOM 0 HA ALA A 63 1.541 -9.546 -2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.033 -7.768 -1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.684 -7.162 -1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.404 -6.815 -2.861 1.00 0.00 H new ATOM 902 N SER A 64 -0.305 -10.702 -3.335 1.00 0.00 N ATOM 903 CA SER A 64 -1.446 -11.405 -3.860 1.00 0.00 C ATOM 904 C SER A 64 -2.737 -10.821 -3.291 1.00 0.00 C ATOM 905 O SER A 64 -3.005 -10.958 -2.100 1.00 0.00 O ATOM 906 CB SER A 64 -1.291 -12.872 -3.496 1.00 0.00 C ATOM 907 OG SER A 64 -0.888 -13.641 -4.614 1.00 0.00 O ATOM 0 H SER A 64 0.326 -11.286 -2.786 1.00 0.00 H new ATOM 0 HA SER A 64 -1.501 -11.300 -4.944 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.556 -12.975 -2.698 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.236 -13.255 -3.111 1.00 0.00 H new ATOM 0 HG SER A 64 -1.340 -14.510 -4.593 1.00 0.00 H new ATOM 913 N CYS A 65 -3.504 -10.135 -4.139 1.00 0.00 N ATOM 914 CA CYS A 65 -4.696 -9.445 -3.711 1.00 0.00 C ATOM 915 C CYS A 65 -5.870 -10.388 -3.537 1.00 0.00 C ATOM 916 O CYS A 65 -5.937 -11.463 -4.141 1.00 0.00 O ATOM 917 CB CYS A 65 -5.060 -8.366 -4.725 1.00 0.00 C ATOM 918 SG CYS A 65 -6.250 -8.877 -6.010 1.00 0.00 S ATOM 0 H CYS A 65 -3.308 -10.049 -5.136 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.482 -8.995 -2.741 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -5.473 -7.511 -4.189 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.147 -8.026 -5.213 1.00 0.00 H new ATOM 923 N GLN A 66 -6.783 -9.956 -2.696 1.00 0.00 N ATOM 924 CA GLN A 66 -8.032 -10.649 -2.448 1.00 0.00 C ATOM 925 C GLN A 66 -9.128 -9.619 -2.277 1.00 0.00 C ATOM 926 O GLN A 66 -8.899 -8.578 -1.665 1.00 0.00 O ATOM 927 CB GLN A 66 -7.958 -11.455 -1.155 1.00 0.00 C ATOM 928 CG GLN A 66 -6.731 -12.320 -1.020 1.00 0.00 C ATOM 929 CD GLN A 66 -6.926 -13.717 -1.577 1.00 0.00 C ATOM 930 OE1 GLN A 66 -7.675 -13.923 -2.532 1.00 0.00 O ATOM 931 NE2 GLN A 66 -6.264 -14.690 -0.971 1.00 0.00 N ATOM 0 H GLN A 66 -6.678 -9.098 -2.154 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.229 -11.318 -3.286 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.995 -10.766 -0.311 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.842 -12.089 -1.087 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.898 -11.842 -1.536 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.456 -12.390 0.033 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.653 -14.477 -0.183 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.365 -15.653 -1.292 1.00 0.00 H new ATOM 940 N ASN A 67 -10.306 -9.889 -2.802 1.00 0.00 N ATOM 941 CA ASN A 67 -11.453 -9.055 -2.494 1.00 0.00 C ATOM 942 C ASN A 67 -12.304 -9.710 -1.433 1.00 0.00 C ATOM 943 O ASN A 67 -12.658 -10.887 -1.526 1.00 0.00 O ATOM 944 CB ASN A 67 -12.297 -8.710 -3.725 1.00 0.00 C ATOM 945 CG ASN A 67 -12.335 -9.797 -4.786 1.00 0.00 C ATOM 946 OD1 ASN A 67 -12.197 -10.988 -4.494 1.00 0.00 O ATOM 947 ND2 ASN A 67 -12.543 -9.392 -6.031 1.00 0.00 N ATOM 0 H ASN A 67 -10.495 -10.667 -3.435 1.00 0.00 H new ATOM 0 HA ASN A 67 -11.062 -8.110 -2.117 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.317 -8.498 -3.403 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.907 -7.796 -4.173 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.594 -10.074 -6.787 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.652 -8.398 -6.232 1.00 0.00 H new ATOM 954 N ALA A 68 -12.609 -8.933 -0.420 1.00 0.00 N ATOM 955 CA ALA A 68 -13.335 -9.415 0.736 1.00 0.00 C ATOM 956 C ALA A 68 -14.178 -8.300 1.328 1.00 0.00 C ATOM 957 O ALA A 68 -13.874 -7.121 1.153 1.00 0.00 O ATOM 958 CB ALA A 68 -12.365 -9.948 1.775 1.00 0.00 C ATOM 0 H ALA A 68 -12.361 -7.945 -0.373 1.00 0.00 H new ATOM 0 HA ALA A 68 -13.996 -10.224 0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.921 -10.308 2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.788 -10.768 1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.689 -9.151 2.084 1.00 0.00 H new ATOM 964 N GLU A 69 -15.237 -8.669 2.021 1.00 0.00 N ATOM 965 CA GLU A 69 -16.091 -7.697 2.666 1.00 0.00 C ATOM 966 C GLU A 69 -15.953 -7.799 4.168 1.00 0.00 C ATOM 967 O GLU A 69 -16.432 -8.741 4.797 1.00 0.00 O ATOM 968 CB GLU A 69 -17.541 -7.900 2.251 1.00 0.00 C ATOM 969 CG GLU A 69 -17.754 -7.785 0.752 1.00 0.00 C ATOM 970 CD GLU A 69 -19.155 -8.166 0.339 1.00 0.00 C ATOM 971 OE1 GLU A 69 -20.059 -7.314 0.431 1.00 0.00 O ATOM 972 OE2 GLU A 69 -19.359 -9.328 -0.074 1.00 0.00 O ATOM 0 H GLU A 69 -15.526 -9.639 2.151 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.782 -6.700 2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -17.874 -8.883 2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -18.164 -7.163 2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -17.551 -6.762 0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.039 -8.426 0.236 1.00 0.00 H new ATOM 979 N SER A 70 -15.283 -6.817 4.718 1.00 0.00 N ATOM 980 CA SER A 70 -15.009 -6.758 6.140 1.00 0.00 C ATOM 981 C SER A 70 -15.453 -5.408 6.682 1.00 0.00 C ATOM 982 O SER A 70 -15.613 -4.457 5.914 1.00 0.00 O ATOM 983 CB SER A 70 -13.510 -6.961 6.374 1.00 0.00 C ATOM 984 OG SER A 70 -13.188 -6.964 7.755 1.00 0.00 O ATOM 0 H SER A 70 -14.908 -6.028 4.191 1.00 0.00 H new ATOM 0 HA SER A 70 -15.557 -7.544 6.659 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.197 -7.904 5.926 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.953 -6.169 5.873 1.00 0.00 H new ATOM 0 HG SER A 70 -12.223 -7.098 7.866 1.00 0.00 H new ATOM 990 N THR A 71 -15.640 -5.321 7.996 1.00 0.00 N ATOM 991 CA THR A 71 -15.998 -4.063 8.633 1.00 0.00 C ATOM 992 C THR A 71 -14.838 -3.088 8.472 1.00 0.00 C ATOM 993 O THR A 71 -15.004 -1.868 8.497 1.00 0.00 O ATOM 994 CB THR A 71 -16.325 -4.281 10.131 1.00 0.00 C ATOM 995 OG1 THR A 71 -16.691 -3.047 10.766 1.00 0.00 O ATOM 996 CG2 THR A 71 -15.140 -4.902 10.860 1.00 0.00 C ATOM 0 H THR A 71 -15.549 -6.108 8.638 1.00 0.00 H new ATOM 0 HA THR A 71 -16.890 -3.653 8.158 1.00 0.00 H new ATOM 0 HB THR A 71 -17.172 -4.965 10.184 1.00 0.00 H new ATOM 0 HG1 THR A 71 -16.894 -3.213 11.710 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.394 -5.046 11.910 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.900 -5.865 10.410 1.00 0.00 H new ATOM 0 HG23 THR A 71 -14.277 -4.240 10.782 1.00 0.00 H new ATOM 1004 N GLU A 72 -13.666 -3.667 8.276 1.00 0.00 N ATOM 1005 CA GLU A 72 -12.450 -2.930 8.032 1.00 0.00 C ATOM 1006 C GLU A 72 -12.229 -2.751 6.539 1.00 0.00 C ATOM 1007 O GLU A 72 -11.984 -3.721 5.828 1.00 0.00 O ATOM 1008 CB GLU A 72 -11.283 -3.696 8.647 1.00 0.00 C ATOM 1009 CG GLU A 72 -11.065 -3.402 10.111 1.00 0.00 C ATOM 1010 CD GLU A 72 -10.663 -1.959 10.354 1.00 0.00 C ATOM 1011 OE1 GLU A 72 -11.533 -1.070 10.266 1.00 0.00 O ATOM 1012 OE2 GLU A 72 -9.469 -1.706 10.621 1.00 0.00 O ATOM 0 H GLU A 72 -13.536 -4.679 8.283 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.525 -1.941 8.485 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.456 -4.765 8.523 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.373 -3.455 8.098 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.979 -3.620 10.663 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.291 -4.063 10.501 1.00 0.00 H new ATOM 1019 N ASN A 73 -12.342 -1.513 6.067 1.00 0.00 N ATOM 1020 CA ASN A 73 -12.004 -1.177 4.680 1.00 0.00 C ATOM 1021 C ASN A 73 -10.578 -1.582 4.390 1.00 0.00 C ATOM 1022 O ASN A 73 -10.277 -2.114 3.328 1.00 0.00 O ATOM 1023 CB ASN A 73 -12.155 0.326 4.411 1.00 0.00 C ATOM 1024 CG ASN A 73 -12.289 1.131 5.692 1.00 0.00 C ATOM 1025 OD1 ASN A 73 -11.295 1.507 6.305 1.00 0.00 O ATOM 1026 ND2 ASN A 73 -13.515 1.397 6.103 1.00 0.00 N ATOM 0 H ASN A 73 -12.665 -0.721 6.623 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.694 -1.718 4.032 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.290 0.681 3.850 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.032 0.494 3.785 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -13.661 1.933 6.958 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -14.316 1.067 5.565 1.00 0.00 H new ATOM 1033 N SER A 74 -9.712 -1.347 5.364 1.00 0.00 N ATOM 1034 CA SER A 74 -8.309 -1.679 5.236 1.00 0.00 C ATOM 1035 C SER A 74 -8.099 -3.188 5.243 1.00 0.00 C ATOM 1036 O SER A 74 -7.042 -3.681 4.859 1.00 0.00 O ATOM 1037 CB SER A 74 -7.522 -1.017 6.367 1.00 0.00 C ATOM 1038 OG SER A 74 -8.223 -1.131 7.598 1.00 0.00 O ATOM 0 H SER A 74 -9.963 -0.924 6.257 1.00 0.00 H new ATOM 0 HA SER A 74 -7.946 -1.302 4.280 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.541 -1.484 6.456 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.355 0.034 6.134 1.00 0.00 H new ATOM 0 HG SER A 74 -7.704 -0.703 8.311 1.00 0.00 H new ATOM 1044 N LYS A 75 -9.121 -3.915 5.666 1.00 0.00 N ATOM 1045 CA LYS A 75 -9.037 -5.357 5.764 1.00 0.00 C ATOM 1046 C LYS A 75 -9.981 -6.008 4.765 1.00 0.00 C ATOM 1047 O LYS A 75 -10.361 -7.171 4.907 1.00 0.00 O ATOM 1048 CB LYS A 75 -9.372 -5.774 7.192 1.00 0.00 C ATOM 1049 CG LYS A 75 -8.886 -7.146 7.583 1.00 0.00 C ATOM 1050 CD LYS A 75 -7.408 -7.308 7.277 1.00 0.00 C ATOM 1051 CE LYS A 75 -6.612 -6.089 7.713 1.00 0.00 C ATOM 1052 NZ LYS A 75 -5.207 -6.140 7.235 1.00 0.00 N ATOM 0 H LYS A 75 -10.020 -3.525 5.947 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.026 -5.688 5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.944 -5.044 7.878 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.454 -5.737 7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.061 -7.308 8.647 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.457 -7.904 7.047 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.025 -8.194 7.784 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.272 -7.469 6.208 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.092 -5.188 7.332 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.622 -6.020 8.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.700 -5.290 7.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.740 -6.986 7.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.195 -6.180 6.196 1.00 0.00 H new ATOM 1066 N LYS A 76 -10.374 -5.241 3.757 1.00 0.00 N ATOM 1067 CA LYS A 76 -11.216 -5.769 2.701 1.00 0.00 C ATOM 1068 C LYS A 76 -10.367 -6.405 1.621 1.00 0.00 C ATOM 1069 O LYS A 76 -10.629 -7.513 1.176 1.00 0.00 O ATOM 1070 CB LYS A 76 -12.080 -4.695 2.077 1.00 0.00 C ATOM 1071 CG LYS A 76 -13.110 -4.094 3.008 1.00 0.00 C ATOM 1072 CD LYS A 76 -14.013 -3.172 2.222 1.00 0.00 C ATOM 1073 CE LYS A 76 -14.754 -2.163 3.077 1.00 0.00 C ATOM 1074 NZ LYS A 76 -15.836 -2.777 3.890 1.00 0.00 N ATOM 0 H LYS A 76 -10.123 -4.258 3.651 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.867 -6.516 3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.435 -3.898 1.707 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.593 -5.117 1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.697 -4.883 3.478 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.616 -3.543 3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.416 -2.638 1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -14.739 -3.772 1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.046 -1.666 3.740 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.182 -1.394 2.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.240 -2.062 4.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.580 -3.139 3.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.446 -3.561 4.452 1.00 0.00 H new ATOM 1088 N ILE A 77 -9.359 -5.680 1.186 1.00 0.00 N ATOM 1089 CA ILE A 77 -8.429 -6.207 0.211 1.00 0.00 C ATOM 1090 C ILE A 77 -7.248 -6.815 0.936 1.00 0.00 C ATOM 1091 O ILE A 77 -6.524 -6.131 1.664 1.00 0.00 O ATOM 1092 CB ILE A 77 -7.947 -5.128 -0.778 1.00 0.00 C ATOM 1093 CG1 ILE A 77 -9.134 -4.550 -1.545 1.00 0.00 C ATOM 1094 CG2 ILE A 77 -6.922 -5.690 -1.756 1.00 0.00 C ATOM 1095 CD1 ILE A 77 -9.894 -5.592 -2.340 1.00 0.00 C ATOM 0 H ILE A 77 -9.163 -4.727 1.491 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.946 -6.967 -0.375 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.468 -4.336 -0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -9.815 -4.071 -0.841 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.778 -3.774 -2.222 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.602 -4.904 -2.440 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.060 -6.064 -1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.370 -6.505 -2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.725 -5.117 -2.862 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.226 -6.054 -3.067 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.279 -6.356 -1.664 1.00 0.00 H new ATOM 1107 N ILE A 78 -7.086 -8.105 0.759 1.00 0.00 N ATOM 1108 CA ILE A 78 -6.025 -8.830 1.425 1.00 0.00 C ATOM 1109 C ILE A 78 -4.810 -8.894 0.523 1.00 0.00 C ATOM 1110 O ILE A 78 -4.793 -9.631 -0.456 1.00 0.00 O ATOM 1111 CB ILE A 78 -6.445 -10.267 1.810 1.00 0.00 C ATOM 1112 CG1 ILE A 78 -7.716 -10.271 2.674 1.00 0.00 C ATOM 1113 CG2 ILE A 78 -5.312 -10.966 2.539 1.00 0.00 C ATOM 1114 CD1 ILE A 78 -8.992 -10.071 1.884 1.00 0.00 C ATOM 0 H ILE A 78 -7.677 -8.678 0.157 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.794 -8.293 2.345 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.667 -10.808 0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.776 -11.218 3.211 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.637 -9.484 3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.620 -11.977 2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.436 -11.012 1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.065 -10.412 3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.846 -10.086 2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.954 -9.111 1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.096 -10.872 1.152 1.00 0.00 H new ATOM 1126 N CYS A 79 -3.812 -8.097 0.841 1.00 0.00 N ATOM 1127 CA CYS A 79 -2.588 -8.065 0.067 1.00 0.00 C ATOM 1128 C CYS A 79 -1.508 -8.891 0.750 1.00 0.00 C ATOM 1129 O CYS A 79 -1.039 -8.553 1.838 1.00 0.00 O ATOM 1130 CB CYS A 79 -2.125 -6.626 -0.108 1.00 0.00 C ATOM 1131 SG CYS A 79 -3.438 -5.509 -0.688 1.00 0.00 S ATOM 0 H CYS A 79 -3.825 -7.458 1.636 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.779 -8.496 -0.916 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.739 -6.258 0.843 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.298 -6.602 -0.818 1.00 0.00 H new ATOM 1136 N THR A 80 -1.128 -9.980 0.110 1.00 0.00 N ATOM 1137 CA THR A 80 -0.145 -10.893 0.665 1.00 0.00 C ATOM 1138 C THR A 80 1.177 -10.790 -0.084 1.00 0.00 C ATOM 1139 O THR A 80 1.274 -11.214 -1.235 1.00 0.00 O ATOM 1140 CB THR A 80 -0.654 -12.345 0.599 1.00 0.00 C ATOM 1141 OG1 THR A 80 -1.893 -12.463 1.314 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.371 -13.305 1.180 1.00 0.00 C ATOM 0 H THR A 80 -1.489 -10.256 -0.803 1.00 0.00 H new ATOM 0 HA THR A 80 0.013 -10.613 1.706 1.00 0.00 H new ATOM 0 HB THR A 80 -0.815 -12.604 -0.447 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.211 -13.389 1.266 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.011 -14.324 1.122 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.299 -13.233 0.613 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.561 -13.047 2.222 1.00 0.00 H new ATOM 1150 N CYS A 81 2.196 -10.260 0.571 1.00 0.00 N ATOM 1151 CA CYS A 81 3.500 -10.130 -0.052 1.00 0.00 C ATOM 1152 C CYS A 81 4.211 -11.477 0.054 1.00 0.00 C ATOM 1153 O CYS A 81 3.966 -12.245 0.988 1.00 0.00 O ATOM 1154 CB CYS A 81 4.324 -9.027 0.625 1.00 0.00 C ATOM 1155 SG CYS A 81 3.429 -7.458 0.899 1.00 0.00 S ATOM 0 H CYS A 81 2.145 -9.915 1.529 1.00 0.00 H new ATOM 0 HA CYS A 81 3.384 -9.848 -1.099 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.681 -9.398 1.586 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.204 -8.825 0.015 1.00 0.00 H new ATOM 1160 N LYS A 82 5.069 -11.766 -0.910 1.00 0.00 N ATOM 1161 CA LYS A 82 5.577 -13.115 -1.106 1.00 0.00 C ATOM 1162 C LYS A 82 6.830 -13.413 -0.288 1.00 0.00 C ATOM 1163 O LYS A 82 7.292 -12.587 0.491 1.00 0.00 O ATOM 1164 CB LYS A 82 5.854 -13.346 -2.591 1.00 0.00 C ATOM 1165 CG LYS A 82 4.630 -13.145 -3.462 1.00 0.00 C ATOM 1166 CD LYS A 82 3.562 -14.184 -3.177 1.00 0.00 C ATOM 1167 CE LYS A 82 2.259 -13.841 -3.879 1.00 0.00 C ATOM 1168 NZ LYS A 82 1.391 -15.030 -4.035 1.00 0.00 N ATOM 0 H LYS A 82 5.431 -11.080 -1.573 1.00 0.00 H new ATOM 0 HA LYS A 82 4.807 -13.800 -0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.641 -12.666 -2.918 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.230 -14.359 -2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.223 -12.148 -3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.918 -13.198 -4.512 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.908 -15.164 -3.506 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.393 -14.250 -2.102 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.730 -13.076 -3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.475 -13.417 -4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.395 -14.732 -4.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.628 -15.519 -4.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.540 -15.676 -3.234 1.00 0.00 H new ATOM 1182 N GLU A 83 7.365 -14.606 -0.480 1.00 0.00 N ATOM 1183 CA GLU A 83 8.528 -15.089 0.264 1.00 0.00 C ATOM 1184 C GLU A 83 9.739 -14.126 0.256 1.00 0.00 C ATOM 1185 O GLU A 83 10.339 -13.906 1.311 1.00 0.00 O ATOM 1186 CB GLU A 83 8.935 -16.461 -0.271 1.00 0.00 C ATOM 1187 CG GLU A 83 7.808 -17.469 -0.220 1.00 0.00 C ATOM 1188 CD GLU A 83 8.208 -18.824 -0.752 1.00 0.00 C ATOM 1189 OE1 GLU A 83 8.877 -19.580 -0.020 1.00 0.00 O ATOM 1190 OE2 GLU A 83 7.851 -19.143 -1.906 1.00 0.00 O ATOM 0 H GLU A 83 7.006 -15.276 -1.160 1.00 0.00 H new ATOM 0 HA GLU A 83 8.221 -15.155 1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.277 -16.357 -1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.778 -16.836 0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.468 -17.575 0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.964 -17.092 -0.797 1.00 0.00 H new ATOM 1197 N PRO A 84 10.125 -13.523 -0.896 1.00 0.00 N ATOM 1198 CA PRO A 84 11.316 -12.667 -0.959 1.00 0.00 C ATOM 1199 C PRO A 84 11.072 -11.300 -0.337 1.00 0.00 C ATOM 1200 O PRO A 84 11.971 -10.466 -0.249 1.00 0.00 O ATOM 1201 CB PRO A 84 11.570 -12.531 -2.458 1.00 0.00 C ATOM 1202 CG PRO A 84 10.220 -12.635 -3.073 1.00 0.00 C ATOM 1203 CD PRO A 84 9.445 -13.594 -2.209 1.00 0.00 C ATOM 0 HA PRO A 84 12.155 -13.089 -0.406 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.043 -11.578 -2.696 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.234 -13.316 -2.821 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.732 -11.661 -3.110 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.285 -12.998 -4.099 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.397 -13.304 -2.132 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.467 -14.605 -2.616 1.00 0.00 H new ATOM 1211 N THR A 85 9.841 -11.089 0.090 1.00 0.00 N ATOM 1212 CA THR A 85 9.427 -9.840 0.678 1.00 0.00 C ATOM 1213 C THR A 85 9.157 -10.050 2.170 1.00 0.00 C ATOM 1214 O THR A 85 8.035 -10.324 2.587 1.00 0.00 O ATOM 1215 CB THR A 85 8.167 -9.302 -0.057 1.00 0.00 C ATOM 1216 OG1 THR A 85 6.995 -9.999 0.349 1.00 0.00 O ATOM 1217 CG2 THR A 85 8.307 -9.476 -1.565 1.00 0.00 C ATOM 0 H THR A 85 9.099 -11.787 0.036 1.00 0.00 H new ATOM 0 HA THR A 85 10.217 -9.097 0.572 1.00 0.00 H new ATOM 0 HB THR A 85 8.080 -8.246 0.200 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.237 -10.703 0.986 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.414 -9.093 -2.060 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.180 -8.926 -1.915 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.426 -10.534 -1.800 1.00 0.00 H new ATOM 1225 N PRO A 86 10.201 -9.951 3.009 1.00 0.00 N ATOM 1226 CA PRO A 86 10.085 -10.207 4.447 1.00 0.00 C ATOM 1227 C PRO A 86 9.382 -9.066 5.171 1.00 0.00 C ATOM 1228 O PRO A 86 9.216 -9.086 6.392 1.00 0.00 O ATOM 1229 CB PRO A 86 11.550 -10.327 4.895 1.00 0.00 C ATOM 1230 CG PRO A 86 12.328 -10.459 3.631 1.00 0.00 C ATOM 1231 CD PRO A 86 11.583 -9.611 2.660 1.00 0.00 C ATOM 0 HA PRO A 86 9.488 -11.091 4.671 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.863 -9.450 5.462 1.00 0.00 H new ATOM 0 HB3 PRO A 86 11.696 -11.193 5.541 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.355 -10.115 3.756 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.378 -11.496 3.299 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.794 -8.550 2.790 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.822 -9.859 1.626 1.00 0.00 H new ATOM 1239 N ASN A 87 8.984 -8.068 4.402 1.00 0.00 N ATOM 1240 CA ASN A 87 8.233 -6.942 4.907 1.00 0.00 C ATOM 1241 C ASN A 87 7.209 -6.540 3.877 1.00 0.00 C ATOM 1242 O ASN A 87 7.177 -7.082 2.771 1.00 0.00 O ATOM 1243 CB ASN A 87 9.113 -5.727 5.151 1.00 0.00 C ATOM 1244 CG ASN A 87 10.341 -5.987 5.977 1.00 0.00 C ATOM 1245 OD1 ASN A 87 11.436 -6.163 5.278 1.00 0.00 O flip ATOM 1246 ND2 ASN A 87 10.313 -5.987 7.203 1.00 0.00 N flip ATOM 0 H ASN A 87 9.177 -8.020 3.402 1.00 0.00 H new ATOM 0 HA ASN A 87 7.780 -7.252 5.849 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.421 -5.321 4.187 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.517 -4.959 5.645 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.430 -5.845 7.693 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.173 -6.129 7.733 1.00 0.00 H new ATOM 1253 N ALA A 88 6.412 -5.562 4.227 1.00 0.00 N ATOM 1254 CA ALA A 88 5.505 -4.942 3.292 1.00 0.00 C ATOM 1255 C ALA A 88 5.647 -3.438 3.393 1.00 0.00 C ATOM 1256 O ALA A 88 5.862 -2.908 4.485 1.00 0.00 O ATOM 1257 CB ALA A 88 4.075 -5.370 3.584 1.00 0.00 C ATOM 0 H ALA A 88 6.373 -5.172 5.169 1.00 0.00 H new ATOM 0 HA ALA A 88 5.749 -5.258 2.278 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.400 -4.895 2.872 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.994 -6.453 3.494 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.804 -5.069 4.596 1.00 0.00 H new ATOM 1263 N TYR A 89 5.576 -2.747 2.267 1.00 0.00 N ATOM 1264 CA TYR A 89 5.504 -1.303 2.304 1.00 0.00 C ATOM 1265 C TYR A 89 4.124 -0.968 2.869 1.00 0.00 C ATOM 1266 O TYR A 89 3.107 -1.099 2.178 1.00 0.00 O ATOM 1267 CB TYR A 89 5.679 -0.664 0.909 1.00 0.00 C ATOM 1268 CG TYR A 89 6.839 -1.159 0.058 1.00 0.00 C ATOM 1269 CD1 TYR A 89 7.938 -1.826 0.582 1.00 0.00 C ATOM 1270 CD2 TYR A 89 6.827 -0.909 -1.305 1.00 0.00 C ATOM 1271 CE1 TYR A 89 8.981 -2.216 -0.239 1.00 0.00 C ATOM 1272 CE2 TYR A 89 7.848 -1.302 -2.127 1.00 0.00 C ATOM 1273 CZ TYR A 89 8.925 -1.954 -1.601 1.00 0.00 C ATOM 1274 OH TYR A 89 9.963 -2.303 -2.439 1.00 0.00 O ATOM 0 H TYR A 89 5.567 -3.157 1.333 1.00 0.00 H new ATOM 0 HA TYR A 89 6.313 -0.903 2.915 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.758 -0.820 0.348 1.00 0.00 H new ATOM 0 HB3 TYR A 89 5.793 0.412 1.042 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.979 -2.042 1.639 1.00 0.00 H new ATOM 0 HD2 TYR A 89 5.984 -0.387 -1.733 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.838 -2.724 0.179 1.00 0.00 H new ATOM 0 HE2 TYR A 89 7.802 -1.097 -3.186 1.00 0.00 H new ATOM 0 HH TYR A 89 9.744 -2.041 -3.358 1.00 0.00 H new ATOM 1284 N TYR A 90 4.105 -0.587 4.139 1.00 0.00 N ATOM 1285 CA TYR A 90 2.872 -0.408 4.900 1.00 0.00 C ATOM 1286 C TYR A 90 2.166 -1.747 5.140 1.00 0.00 C ATOM 1287 O TYR A 90 2.722 -2.637 5.779 1.00 0.00 O ATOM 1288 CB TYR A 90 1.931 0.616 4.252 1.00 0.00 C ATOM 1289 CG TYR A 90 1.403 1.611 5.257 1.00 0.00 C ATOM 1290 CD1 TYR A 90 0.507 1.229 6.248 1.00 0.00 C ATOM 1291 CD2 TYR A 90 1.832 2.926 5.239 1.00 0.00 C ATOM 1292 CE1 TYR A 90 0.049 2.134 7.182 1.00 0.00 C ATOM 1293 CE2 TYR A 90 1.386 3.836 6.171 1.00 0.00 C ATOM 1294 CZ TYR A 90 0.493 3.438 7.141 1.00 0.00 C ATOM 1295 OH TYR A 90 0.050 4.342 8.081 1.00 0.00 O ATOM 0 H TYR A 90 4.950 -0.392 4.676 1.00 0.00 H new ATOM 0 HA TYR A 90 3.155 -0.002 5.871 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.461 1.146 3.461 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.096 0.096 3.783 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.163 0.206 6.287 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.530 3.245 4.479 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.653 1.823 7.941 1.00 0.00 H new ATOM 0 HE2 TYR A 90 1.735 4.858 6.142 1.00 0.00 H new ATOM 0 HH TYR A 90 0.459 5.216 7.912 1.00 0.00 H new ATOM 1305 N GLU A 91 0.952 -1.890 4.633 1.00 0.00 N ATOM 1306 CA GLU A 91 0.135 -3.070 4.932 1.00 0.00 C ATOM 1307 C GLU A 91 0.250 -4.140 3.850 1.00 0.00 C ATOM 1308 O GLU A 91 -0.344 -5.212 3.964 1.00 0.00 O ATOM 1309 CB GLU A 91 -1.336 -2.683 5.069 1.00 0.00 C ATOM 1310 CG GLU A 91 -1.571 -1.318 5.680 1.00 0.00 C ATOM 1311 CD GLU A 91 -3.018 -1.108 6.067 1.00 0.00 C ATOM 1312 OE1 GLU A 91 -3.464 -1.721 7.062 1.00 0.00 O ATOM 1313 OE2 GLU A 91 -3.718 -0.348 5.370 1.00 0.00 O ATOM 0 H GLU A 91 0.507 -1.212 4.015 1.00 0.00 H new ATOM 0 HA GLU A 91 0.512 -3.477 5.870 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.799 -2.710 4.083 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.841 -3.432 5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.940 -1.203 6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.271 -0.547 4.970 1.00 0.00 H new ATOM 1320 N GLY A 92 1.007 -3.853 2.809 1.00 0.00 N ATOM 1321 CA GLY A 92 1.007 -4.716 1.645 1.00 0.00 C ATOM 1322 C GLY A 92 0.506 -3.966 0.439 1.00 0.00 C ATOM 1323 O GLY A 92 0.339 -4.533 -0.642 1.00 0.00 O ATOM 0 H GLY A 92 1.621 -3.041 2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.015 -5.087 1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.376 -5.586 1.829 1.00 0.00 H new ATOM 1327 N VAL A 93 0.242 -2.677 0.652 1.00 0.00 N ATOM 1328 CA VAL A 93 -0.106 -1.760 -0.418 1.00 0.00 C ATOM 1329 C VAL A 93 0.985 -1.791 -1.477 1.00 0.00 C ATOM 1330 O VAL A 93 0.748 -1.575 -2.665 1.00 0.00 O ATOM 1331 CB VAL A 93 -0.252 -0.317 0.133 1.00 0.00 C ATOM 1332 CG1 VAL A 93 -0.819 0.606 -0.922 1.00 0.00 C ATOM 1333 CG2 VAL A 93 -1.099 -0.292 1.400 1.00 0.00 C ATOM 0 H VAL A 93 0.265 -2.244 1.575 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.057 -2.066 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 93 0.742 0.043 0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.912 1.612 -0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.153 0.625 -1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.801 0.247 -1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.183 0.733 1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.093 -0.682 1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.628 -0.909 2.165 1.00 0.00 H new ATOM 1343 N PHE A 94 2.191 -2.037 -1.001 1.00 0.00 N ATOM 1344 CA PHE A 94 3.336 -2.281 -1.834 1.00 0.00 C ATOM 1345 C PHE A 94 4.293 -3.209 -1.071 1.00 0.00 C ATOM 1346 O PHE A 94 4.199 -3.302 0.147 1.00 0.00 O ATOM 1347 CB PHE A 94 4.033 -0.978 -2.327 1.00 0.00 C ATOM 1348 CG PHE A 94 3.787 0.361 -1.607 1.00 0.00 C ATOM 1349 CD1 PHE A 94 2.898 0.525 -0.548 1.00 0.00 C ATOM 1350 CD2 PHE A 94 4.479 1.483 -2.041 1.00 0.00 C ATOM 1351 CE1 PHE A 94 2.708 1.755 0.047 1.00 0.00 C ATOM 1352 CE2 PHE A 94 4.291 2.715 -1.448 1.00 0.00 C ATOM 1353 CZ PHE A 94 3.405 2.851 -0.402 1.00 0.00 C ATOM 0 H PHE A 94 2.398 -2.072 -0.003 1.00 0.00 H new ATOM 0 HA PHE A 94 3.005 -2.767 -2.752 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.107 -1.161 -2.308 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.752 -0.838 -3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.345 -0.329 -0.185 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.178 1.390 -2.859 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.011 1.857 0.866 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.840 3.574 -1.805 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.259 3.815 0.063 1.00 0.00 H new ATOM 1363 N CYS A 95 5.167 -3.937 -1.770 1.00 0.00 N ATOM 1364 CA CYS A 95 6.059 -4.914 -1.112 1.00 0.00 C ATOM 1365 C CYS A 95 7.429 -4.939 -1.805 1.00 0.00 C ATOM 1366 O CYS A 95 7.542 -4.513 -2.950 1.00 0.00 O ATOM 1367 CB CYS A 95 5.445 -6.328 -1.149 1.00 0.00 C ATOM 1368 SG CYS A 95 3.647 -6.396 -0.825 1.00 0.00 S ATOM 0 H CYS A 95 5.281 -3.875 -2.782 1.00 0.00 H new ATOM 0 HA CYS A 95 6.183 -4.607 -0.073 1.00 0.00 H new ATOM 0 HB2 CYS A 95 5.640 -6.767 -2.127 1.00 0.00 H new ATOM 0 HB3 CYS A 95 5.956 -6.949 -0.413 1.00 0.00 H new ATOM 1373 N SER A 96 8.474 -5.428 -1.115 1.00 0.00 N ATOM 1374 CA SER A 96 9.814 -5.478 -1.716 1.00 0.00 C ATOM 1375 C SER A 96 10.325 -6.895 -1.816 1.00 0.00 C ATOM 1376 O SER A 96 10.497 -7.570 -0.804 1.00 0.00 O ATOM 1377 CB SER A 96 10.832 -4.659 -0.914 1.00 0.00 C ATOM 1378 OG SER A 96 11.840 -4.159 -1.766 1.00 0.00 O ATOM 0 H SER A 96 8.418 -5.786 -0.162 1.00 0.00 H new ATOM 0 HA SER A 96 9.710 -5.051 -2.714 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.329 -3.833 -0.411 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.278 -5.281 -0.138 1.00 0.00 H new ATOM 0 HG SER A 96 11.501 -3.378 -2.251 1.00 0.00 H new ATOM 1384 N SER A 97 10.616 -7.315 -3.030 1.00 0.00 N ATOM 1385 CA SER A 97 11.162 -8.642 -3.276 1.00 0.00 C ATOM 1386 C SER A 97 12.646 -8.653 -2.949 1.00 0.00 C ATOM 1387 O SER A 97 13.265 -9.699 -2.760 1.00 0.00 O ATOM 1388 CB SER A 97 10.916 -9.036 -4.728 1.00 0.00 C ATOM 1389 OG SER A 97 11.232 -7.957 -5.592 1.00 0.00 O ATOM 0 H SER A 97 10.483 -6.754 -3.871 1.00 0.00 H new ATOM 0 HA SER A 97 10.666 -9.370 -2.635 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.522 -9.905 -4.984 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.873 -9.324 -4.862 1.00 0.00 H new ATOM 0 HG SER A 97 11.071 -8.224 -6.521 1.00 0.00 H new ATOM 1395 N SER A 98 13.203 -7.464 -2.927 1.00 0.00 N ATOM 1396 CA SER A 98 14.524 -7.227 -2.403 1.00 0.00 C ATOM 1397 C SER A 98 14.575 -5.769 -2.000 1.00 0.00 C ATOM 1398 O SER A 98 14.614 -4.895 -2.862 1.00 0.00 O ATOM 1399 CB SER A 98 15.605 -7.553 -3.436 1.00 0.00 C ATOM 1400 OG SER A 98 16.883 -7.646 -2.824 1.00 0.00 O ATOM 0 H SER A 98 12.743 -6.624 -3.278 1.00 0.00 H new ATOM 0 HA SER A 98 14.720 -7.875 -1.549 1.00 0.00 H new ATOM 0 HB2 SER A 98 15.366 -8.494 -3.933 1.00 0.00 H new ATOM 0 HB3 SER A 98 15.622 -6.781 -4.206 1.00 0.00 H new ATOM 0 HG SER A 98 17.557 -7.857 -3.504 1.00 0.00 H new ATOM 1406 N SER A 99 14.480 -5.529 -0.692 1.00 0.00 N ATOM 1407 CA SER A 99 14.378 -4.180 -0.128 1.00 0.00 C ATOM 1408 C SER A 99 15.180 -3.139 -0.916 1.00 0.00 C ATOM 1409 O SER A 99 16.421 -3.251 -0.966 1.00 0.00 O ATOM 1410 CB SER A 99 14.794 -4.193 1.347 1.00 0.00 C ATOM 1411 OG SER A 99 15.962 -3.434 1.595 1.00 0.00 O ATOM 1412 OXT SER A 99 14.556 -2.201 -1.461 1.00 0.00 O ATOM 0 H SER A 99 14.471 -6.268 0.011 1.00 0.00 H new ATOM 0 HA SER A 99 13.333 -3.879 -0.205 1.00 0.00 H new ATOM 0 HB2 SER A 99 13.977 -3.802 1.953 1.00 0.00 H new ATOM 0 HB3 SER A 99 14.962 -5.223 1.663 1.00 0.00 H new ATOM 0 HG SER A 99 15.726 -2.486 1.673 1.00 0.00 H new