USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 683 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 51 THR OG1 : rot 83:sc= 1.21 USER MOD Set 1.2: A 52 HIS : no HD1:sc= -0.88! C(o=0.33!,f=-6.9!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.37) USER MOD Single : A 16 CYS SG : rot 50:sc= 0.972 USER MOD Single : A 19 SER OG : rot -170:sc= -0.97 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS :FLIP no HD1:sc= -0.261 F(o=-1.1,f=-0.26) USER MOD Single : A 30 SER OG : rot -38:sc= 1.19 USER MOD Single : A 31 MET CE :methyl -160:sc= 0 (180deg=-0.225) USER MOD Single : A 34 MET CE :methyl 153:sc= -0.227 (180deg=-0.878) USER MOD Single : A 35 THR OG1 : rot 74:sc= 0.625 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -2.68! C(o=-2.7!,f=-3.6!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -78:sc= 0.482 USER MOD Single : A 58 ASN : amide:sc= -0.437 X(o=-0.44,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -158:sc= -0.128 (180deg=-0.497) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -159:sc= -0.0385 (180deg=-0.307) USER MOD Single : A 70 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.456) USER MOD Single : A 75 LYS NZ :NH3+ -125:sc= -0.219 (180deg=-2.01) USER MOD Single : A 76 GLN : amide:sc= -1.62! C(o=-1.6!,f=-3.7!) USER MOD Single : A 82 SER OG : rot 89:sc= 0.957 USER MOD Single : A 84 GLN : amide:sc= -0.0706 K(o=-0.071,f=-0.79) USER MOD Single : A 85 MET CE :methyl -122:sc= -5.04! (180deg=-5.76!) USER MOD Single : A 92 THR OG1 : rot -7:sc= 0.563 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -162:sc= 0.141 USER MOD ----------------------------------------------------------------- ATOM 86 N LYS A 9 -1.844 18.577 -5.169 1.00 0.00 N ATOM 87 CA LYS A 9 -1.179 17.426 -4.571 1.00 0.00 C ATOM 88 C LYS A 9 -1.913 16.134 -4.915 1.00 0.00 C ATOM 89 O LYS A 9 -3.094 16.153 -5.262 1.00 0.00 O ATOM 90 CB LYS A 9 -1.099 17.589 -3.051 1.00 0.00 C ATOM 91 CG LYS A 9 -2.457 17.682 -2.377 1.00 0.00 C ATOM 92 CD LYS A 9 -2.366 17.362 -0.894 1.00 0.00 C ATOM 93 CE LYS A 9 -2.313 15.862 -0.650 1.00 0.00 C ATOM 94 NZ LYS A 9 -2.763 15.507 0.725 1.00 0.00 N ATOM 0 HA LYS A 9 -0.170 17.370 -4.978 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.552 16.745 -2.632 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.526 18.487 -2.820 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.862 18.685 -2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.151 16.992 -2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.477 17.832 -0.473 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.226 17.786 -0.376 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.942 15.353 -1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.294 15.505 -0.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.712 14.476 0.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.148 15.972 1.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.744 15.825 0.862 1.00 0.00 H new ATOM 108 N VAL A 10 -1.206 15.012 -4.817 1.00 0.00 N ATOM 109 CA VAL A 10 -1.791 13.711 -5.116 1.00 0.00 C ATOM 110 C VAL A 10 -1.463 12.697 -4.026 1.00 0.00 C ATOM 111 O VAL A 10 -0.331 12.605 -3.550 1.00 0.00 O ATOM 112 CB VAL A 10 -1.296 13.171 -6.470 1.00 0.00 C ATOM 113 CG1 VAL A 10 0.194 12.873 -6.414 1.00 0.00 C ATOM 114 CG2 VAL A 10 -2.082 11.930 -6.868 1.00 0.00 C ATOM 0 H VAL A 10 -0.227 14.979 -4.533 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.871 13.853 -5.163 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.460 13.936 -7.229 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.525 12.492 -7.380 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.739 13.787 -6.178 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.387 12.126 -5.644 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.719 11.562 -7.827 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.951 11.158 -6.110 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.139 12.181 -6.952 1.00 0.00 H new ATOM 124 N PRO A 11 -2.474 11.916 -3.619 1.00 0.00 N ATOM 125 CA PRO A 11 -2.317 10.893 -2.581 1.00 0.00 C ATOM 126 C PRO A 11 -1.468 9.717 -3.050 1.00 0.00 C ATOM 127 O PRO A 11 -1.351 9.442 -4.244 1.00 0.00 O ATOM 128 CB PRO A 11 -3.754 10.441 -2.309 1.00 0.00 C ATOM 129 CG PRO A 11 -4.490 10.737 -3.570 1.00 0.00 C ATOM 130 CD PRO A 11 -3.850 11.971 -4.143 1.00 0.00 C ATOM 0 HA PRO A 11 -1.804 11.280 -1.701 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.796 9.379 -2.066 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.185 10.978 -1.464 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.421 9.902 -4.267 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.549 10.902 -3.374 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.866 11.963 -5.233 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.366 12.877 -3.824 1.00 0.00 H new ATOM 138 N PRO A 12 -0.861 9.004 -2.090 1.00 0.00 N ATOM 139 CA PRO A 12 -0.013 7.844 -2.381 1.00 0.00 C ATOM 140 C PRO A 12 -0.815 6.653 -2.894 1.00 0.00 C ATOM 141 O PRO A 12 -0.247 5.658 -3.344 1.00 0.00 O ATOM 142 CB PRO A 12 0.621 7.519 -1.026 1.00 0.00 C ATOM 143 CG PRO A 12 -0.340 8.054 -0.020 1.00 0.00 C ATOM 144 CD PRO A 12 -0.956 9.275 -0.645 1.00 0.00 C ATOM 0 HA PRO A 12 0.712 8.056 -3.166 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.765 6.446 -0.904 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.601 7.986 -0.925 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.102 7.314 0.224 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.169 8.306 0.910 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.990 9.410 -0.329 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.418 10.182 -0.370 1.00 0.00 H new ATOM 152 N PHE A 13 -2.137 6.762 -2.824 1.00 0.00 N ATOM 153 CA PHE A 13 -3.018 5.693 -3.281 1.00 0.00 C ATOM 154 C PHE A 13 -3.998 6.208 -4.331 1.00 0.00 C ATOM 155 O PHE A 13 -5.020 5.578 -4.602 1.00 0.00 O ATOM 156 CB PHE A 13 -3.786 5.096 -2.100 1.00 0.00 C ATOM 157 CG PHE A 13 -2.895 4.558 -1.017 1.00 0.00 C ATOM 158 CD1 PHE A 13 -1.692 3.946 -1.330 1.00 0.00 C ATOM 159 CD2 PHE A 13 -3.262 4.662 0.316 1.00 0.00 C ATOM 160 CE1 PHE A 13 -0.870 3.450 -0.336 1.00 0.00 C ATOM 161 CE2 PHE A 13 -2.444 4.169 1.314 1.00 0.00 C ATOM 162 CZ PHE A 13 -1.247 3.561 0.988 1.00 0.00 C ATOM 0 H PHE A 13 -2.622 7.580 -2.455 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.401 4.917 -3.734 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.438 5.860 -1.677 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.429 4.294 -2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.393 3.855 -2.364 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.198 5.134 0.577 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.066 2.976 -0.594 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.740 4.259 2.349 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.607 3.173 1.767 1.00 0.00 H new ATOM 172 N GLN A 14 -3.678 7.357 -4.918 1.00 0.00 N ATOM 173 CA GLN A 14 -4.530 7.957 -5.938 1.00 0.00 C ATOM 174 C GLN A 14 -5.120 6.888 -6.852 1.00 0.00 C ATOM 175 O GLN A 14 -4.400 6.243 -7.614 1.00 0.00 O ATOM 176 CB GLN A 14 -3.737 8.970 -6.764 1.00 0.00 C ATOM 177 CG GLN A 14 -4.507 9.521 -7.953 1.00 0.00 C ATOM 178 CD GLN A 14 -3.596 9.989 -9.072 1.00 0.00 C ATOM 179 OE1 GLN A 14 -2.732 9.245 -9.537 1.00 0.00 O ATOM 180 NE2 GLN A 14 -3.786 11.228 -9.510 1.00 0.00 N ATOM 0 H GLN A 14 -2.835 7.891 -4.705 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.349 8.471 -5.435 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.438 9.797 -6.120 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.822 8.498 -7.121 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.179 8.752 -8.334 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.129 10.353 -7.624 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.514 11.809 -9.095 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.204 11.598 -10.261 1.00 0.00 H new ATOM 189 N ASP A 15 -6.433 6.706 -6.770 1.00 0.00 N ATOM 190 CA ASP A 15 -7.120 5.715 -7.591 1.00 0.00 C ATOM 191 C ASP A 15 -6.416 4.364 -7.516 1.00 0.00 C ATOM 192 O ASP A 15 -6.223 3.696 -8.532 1.00 0.00 O ATOM 193 CB ASP A 15 -7.192 6.187 -9.044 1.00 0.00 C ATOM 194 CG ASP A 15 -8.334 5.544 -9.806 1.00 0.00 C ATOM 195 OD1 ASP A 15 -9.326 5.143 -9.162 1.00 0.00 O ATOM 196 OD2 ASP A 15 -8.236 5.442 -11.047 1.00 0.00 O ATOM 0 H ASP A 15 -7.043 7.231 -6.144 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.132 5.598 -7.204 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.309 7.270 -9.066 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.251 5.958 -9.544 1.00 0.00 H new ATOM 201 N CYS A 16 -6.034 3.969 -6.306 1.00 0.00 N ATOM 202 CA CYS A 16 -5.349 2.698 -6.099 1.00 0.00 C ATOM 203 C CYS A 16 -6.023 1.891 -4.993 1.00 0.00 C ATOM 204 O CYS A 16 -6.289 2.408 -3.908 1.00 0.00 O ATOM 205 CB CYS A 16 -3.880 2.938 -5.748 1.00 0.00 C ATOM 206 SG CYS A 16 -2.979 3.916 -6.972 1.00 0.00 S ATOM 0 H CYS A 16 -6.187 4.510 -5.455 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.405 2.128 -7.026 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.826 3.443 -4.784 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.383 1.975 -5.631 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.657 4.988 -7.255 1.00 0.00 H new ATOM 212 N ILE A 17 -6.300 0.623 -5.278 1.00 0.00 N ATOM 213 CA ILE A 17 -6.943 -0.254 -4.309 1.00 0.00 C ATOM 214 C ILE A 17 -5.935 -1.204 -3.671 1.00 0.00 C ATOM 215 O ILE A 17 -5.054 -1.736 -4.348 1.00 0.00 O ATOM 216 CB ILE A 17 -8.070 -1.080 -4.958 1.00 0.00 C ATOM 217 CG1 ILE A 17 -9.095 -0.155 -5.617 1.00 0.00 C ATOM 218 CG2 ILE A 17 -8.740 -1.968 -3.920 1.00 0.00 C ATOM 219 CD1 ILE A 17 -9.798 -0.780 -6.802 1.00 0.00 C ATOM 0 H ILE A 17 -6.089 0.181 -6.172 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.371 0.388 -3.539 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.636 -1.718 -5.728 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.839 0.137 -4.876 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.594 0.757 -5.941 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.534 -2.546 -4.393 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.003 -2.647 -3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.164 -1.348 -3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.510 -0.068 -7.220 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.063 -1.046 -7.562 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.328 -1.676 -6.480 1.00 0.00 H new ATOM 231 N LEU A 18 -6.070 -1.413 -2.367 1.00 0.00 N ATOM 232 CA LEU A 18 -5.172 -2.301 -1.637 1.00 0.00 C ATOM 233 C LEU A 18 -5.945 -3.441 -0.982 1.00 0.00 C ATOM 234 O LEU A 18 -6.952 -3.216 -0.310 1.00 0.00 O ATOM 235 CB LEU A 18 -4.400 -1.517 -0.574 1.00 0.00 C ATOM 236 CG LEU A 18 -3.463 -0.426 -1.094 1.00 0.00 C ATOM 237 CD1 LEU A 18 -2.356 -1.033 -1.941 1.00 0.00 C ATOM 238 CD2 LEU A 18 -4.241 0.610 -1.891 1.00 0.00 C ATOM 0 H LEU A 18 -6.793 -0.980 -1.793 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.466 -2.728 -2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.119 -1.058 0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.813 -2.222 0.014 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.006 0.072 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.699 -0.242 -2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.780 -1.736 -1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.794 -1.557 -2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.558 1.379 -2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.727 0.127 -2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.997 1.068 -1.253 1.00 0.00 H new ATOM 250 N SER A 19 -5.467 -4.665 -1.181 1.00 0.00 N ATOM 251 CA SER A 19 -6.115 -5.841 -0.611 1.00 0.00 C ATOM 252 C SER A 19 -5.271 -6.435 0.512 1.00 0.00 C ATOM 253 O SER A 19 -4.052 -6.558 0.390 1.00 0.00 O ATOM 254 CB SER A 19 -6.354 -6.893 -1.696 1.00 0.00 C ATOM 255 OG SER A 19 -5.266 -6.948 -2.602 1.00 0.00 O ATOM 0 H SER A 19 -4.633 -4.869 -1.732 1.00 0.00 H new ATOM 0 HA SER A 19 -7.075 -5.532 -0.196 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.496 -7.870 -1.234 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.271 -6.660 -2.238 1.00 0.00 H new ATOM 0 HG SER A 19 -5.507 -7.508 -3.369 1.00 0.00 H new ATOM 261 N PHE A 20 -5.929 -6.801 1.607 1.00 0.00 N ATOM 262 CA PHE A 20 -5.240 -7.382 2.754 1.00 0.00 C ATOM 263 C PHE A 20 -5.666 -8.832 2.967 1.00 0.00 C ATOM 264 O PHE A 20 -6.850 -9.162 2.887 1.00 0.00 O ATOM 265 CB PHE A 20 -5.527 -6.564 4.015 1.00 0.00 C ATOM 266 CG PHE A 20 -5.455 -5.080 3.796 1.00 0.00 C ATOM 267 CD1 PHE A 20 -4.254 -4.473 3.464 1.00 0.00 C ATOM 268 CD2 PHE A 20 -6.587 -4.291 3.924 1.00 0.00 C ATOM 269 CE1 PHE A 20 -4.184 -3.107 3.261 1.00 0.00 C ATOM 270 CE2 PHE A 20 -6.523 -2.926 3.722 1.00 0.00 C ATOM 271 CZ PHE A 20 -5.320 -2.333 3.392 1.00 0.00 C ATOM 0 H PHE A 20 -6.938 -6.706 1.725 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.169 -7.362 2.552 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.519 -6.821 4.387 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.814 -6.844 4.790 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.362 -5.074 3.363 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.530 -4.748 4.185 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.243 -2.646 3.000 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.413 -2.323 3.822 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.268 -1.266 3.237 1.00 0.00 H new ATOM 281 N LEU A 21 -4.692 -9.694 3.239 1.00 0.00 N ATOM 282 CA LEU A 21 -4.964 -11.109 3.463 1.00 0.00 C ATOM 283 C LEU A 21 -4.110 -11.654 4.604 1.00 0.00 C ATOM 284 O LEU A 21 -2.887 -11.729 4.495 1.00 0.00 O ATOM 285 CB LEU A 21 -4.700 -11.908 2.186 1.00 0.00 C ATOM 286 CG LEU A 21 -4.594 -13.425 2.353 1.00 0.00 C ATOM 287 CD1 LEU A 21 -5.943 -14.015 2.734 1.00 0.00 C ATOM 288 CD2 LEU A 21 -4.070 -14.066 1.076 1.00 0.00 C ATOM 0 H LEU A 21 -3.707 -9.437 3.310 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.014 -11.213 3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.500 -11.696 1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.774 -11.546 1.740 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.889 -13.635 3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.849 -15.095 2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.279 -13.578 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.670 -13.795 1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.001 -15.145 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.751 -13.847 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.083 -13.665 0.846 1.00 0.00 H new ATOM 300 N GLY A 22 -4.764 -12.035 5.697 1.00 0.00 N ATOM 301 CA GLY A 22 -4.049 -12.570 6.841 1.00 0.00 C ATOM 302 C GLY A 22 -4.408 -11.862 8.132 1.00 0.00 C ATOM 303 O GLY A 22 -4.831 -12.495 9.099 1.00 0.00 O ATOM 0 H GLY A 22 -5.776 -11.983 5.811 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.270 -13.633 6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.976 -12.483 6.668 1.00 0.00 H new ATOM 307 N PHE A 23 -4.238 -10.544 8.149 1.00 0.00 N ATOM 308 CA PHE A 23 -4.544 -9.749 9.333 1.00 0.00 C ATOM 309 C PHE A 23 -5.969 -10.013 9.811 1.00 0.00 C ATOM 310 O PHE A 23 -6.822 -10.453 9.041 1.00 0.00 O ATOM 311 CB PHE A 23 -4.363 -8.259 9.033 1.00 0.00 C ATOM 312 CG PHE A 23 -3.132 -7.955 8.228 1.00 0.00 C ATOM 313 CD1 PHE A 23 -3.159 -8.026 6.844 1.00 0.00 C ATOM 314 CD2 PHE A 23 -1.948 -7.599 8.854 1.00 0.00 C ATOM 315 CE1 PHE A 23 -2.029 -7.746 6.100 1.00 0.00 C ATOM 316 CE2 PHE A 23 -0.815 -7.318 8.114 1.00 0.00 C ATOM 317 CZ PHE A 23 -0.855 -7.393 6.736 1.00 0.00 C ATOM 0 H PHE A 23 -3.890 -10.004 7.357 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.854 -10.040 10.125 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.238 -7.896 8.494 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.317 -7.710 9.974 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.074 -8.303 6.341 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.910 -7.541 9.932 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.064 -7.803 5.022 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.101 -7.040 8.614 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.030 -7.176 6.156 1.00 0.00 H new ATOM 327 N SER A 24 -6.217 -9.742 11.089 1.00 0.00 N ATOM 328 CA SER A 24 -7.537 -9.954 11.672 1.00 0.00 C ATOM 329 C SER A 24 -8.494 -8.835 11.273 1.00 0.00 C ATOM 330 O SER A 24 -8.089 -7.683 11.119 1.00 0.00 O ATOM 331 CB SER A 24 -7.436 -10.035 13.197 1.00 0.00 C ATOM 332 OG SER A 24 -6.809 -8.881 13.729 1.00 0.00 O ATOM 0 H SER A 24 -5.522 -9.376 11.740 1.00 0.00 H new ATOM 0 HA SER A 24 -7.929 -10.896 11.290 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.433 -10.141 13.625 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.871 -10.923 13.480 1.00 0.00 H new ATOM 0 HG SER A 24 -6.758 -8.957 14.705 1.00 0.00 H new ATOM 338 N ASP A 25 -9.765 -9.183 11.108 1.00 0.00 N ATOM 339 CA ASP A 25 -10.782 -8.209 10.728 1.00 0.00 C ATOM 340 C ASP A 25 -10.502 -6.854 11.369 1.00 0.00 C ATOM 341 O ASP A 25 -10.590 -5.817 10.713 1.00 0.00 O ATOM 342 CB ASP A 25 -12.170 -8.704 11.136 1.00 0.00 C ATOM 343 CG ASP A 25 -12.458 -10.103 10.629 1.00 0.00 C ATOM 344 OD1 ASP A 25 -12.769 -10.247 9.428 1.00 0.00 O ATOM 345 OD2 ASP A 25 -12.374 -11.055 11.433 1.00 0.00 O ATOM 0 H ASP A 25 -10.116 -10.133 11.231 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.751 -8.091 9.645 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.252 -8.690 12.223 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.925 -8.019 10.751 1.00 0.00 H new ATOM 350 N GLU A 26 -10.167 -6.871 12.656 1.00 0.00 N ATOM 351 CA GLU A 26 -9.877 -5.643 13.386 1.00 0.00 C ATOM 352 C GLU A 26 -8.689 -4.910 12.767 1.00 0.00 C ATOM 353 O GLU A 26 -8.835 -3.812 12.231 1.00 0.00 O ATOM 354 CB GLU A 26 -9.589 -5.952 14.856 1.00 0.00 C ATOM 355 CG GLU A 26 -10.837 -6.002 15.723 1.00 0.00 C ATOM 356 CD GLU A 26 -11.643 -7.269 15.512 1.00 0.00 C ATOM 357 OE1 GLU A 26 -11.218 -8.333 16.008 1.00 0.00 O ATOM 358 OE2 GLU A 26 -12.700 -7.195 14.851 1.00 0.00 O ATOM 0 H GLU A 26 -10.090 -7.722 13.214 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.754 -4.998 13.323 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.072 -6.909 14.923 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.912 -5.195 15.252 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.549 -5.929 16.772 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.463 -5.137 15.503 1.00 0.00 H new ATOM 365 N GLU A 27 -7.514 -5.526 12.848 1.00 0.00 N ATOM 366 CA GLU A 27 -6.301 -4.932 12.298 1.00 0.00 C ATOM 367 C GLU A 27 -6.548 -4.398 10.890 1.00 0.00 C ATOM 368 O GLU A 27 -6.130 -3.290 10.551 1.00 0.00 O ATOM 369 CB GLU A 27 -5.168 -5.961 12.274 1.00 0.00 C ATOM 370 CG GLU A 27 -4.402 -6.053 13.583 1.00 0.00 C ATOM 371 CD GLU A 27 -3.798 -4.726 14.000 1.00 0.00 C ATOM 372 OE1 GLU A 27 -2.834 -4.280 13.344 1.00 0.00 O ATOM 373 OE2 GLU A 27 -4.291 -4.134 14.983 1.00 0.00 O ATOM 0 H GLU A 27 -7.376 -6.435 13.289 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.012 -4.099 12.939 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.583 -6.940 12.036 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.474 -5.706 11.473 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.072 -6.406 14.367 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.609 -6.794 13.484 1.00 0.00 H new ATOM 380 N LYS A 28 -7.229 -5.194 10.072 1.00 0.00 N ATOM 381 CA LYS A 28 -7.533 -4.803 8.701 1.00 0.00 C ATOM 382 C LYS A 28 -8.379 -3.534 8.671 1.00 0.00 C ATOM 383 O LYS A 28 -8.009 -2.579 7.990 1.00 0.00 O ATOM 384 CB LYS A 28 -8.265 -5.934 7.977 1.00 0.00 C ATOM 385 CG LYS A 28 -8.351 -5.739 6.473 1.00 0.00 C ATOM 386 CD LYS A 28 -9.612 -6.365 5.900 1.00 0.00 C ATOM 387 CE LYS A 28 -9.638 -7.869 6.123 1.00 0.00 C ATOM 388 NZ LYS A 28 -9.003 -8.608 4.997 1.00 0.00 N ATOM 0 H LYS A 28 -7.581 -6.114 10.335 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.591 -4.602 8.190 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.757 -6.876 8.184 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.273 -6.020 8.382 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.335 -4.674 6.242 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.476 -6.181 5.997 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.488 -5.912 6.365 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.672 -6.153 4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.120 -8.107 7.052 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.670 -8.201 6.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.041 -9.630 5.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.513 -8.401 4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.011 -8.310 4.902 1.00 0.00 H new ATOM 402 N HIS A 29 -9.483 -3.550 9.404 1.00 0.00 N ATOM 403 CA HIS A 29 -10.366 -2.397 9.453 1.00 0.00 C ATOM 404 C HIS A 29 -9.535 -1.113 9.409 1.00 0.00 C ATOM 405 O HIS A 29 -9.641 -0.297 8.493 1.00 0.00 O ATOM 406 CB HIS A 29 -11.284 -2.467 10.674 1.00 0.00 C ATOM 407 CG HIS A 29 -12.319 -1.368 10.728 1.00 0.00 C ATOM 408 ND1 HIS A 29 -12.392 -0.179 10.064 1.00 0.00 N flip ATOM 409 CD2 HIS A 29 -13.438 -1.431 11.540 1.00 0.00 C flip ATOM 410 CE1 HIS A 29 -13.496 0.450 10.449 1.00 0.00 C flip ATOM 411 NE2 HIS A 29 -14.146 -0.325 11.364 1.00 0.00 N flip ATOM 0 H HIS A 29 -9.786 -4.343 9.969 1.00 0.00 H new ATOM 0 HA HIS A 29 -11.019 -2.397 8.580 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.792 -3.431 10.679 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.675 -2.423 11.577 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -13.691 -2.244 12.204 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -13.825 1.416 10.096 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -15.023 -0.094 11.831 1.00 0.00 H new ATOM 419 N SER A 30 -8.697 -0.951 10.428 1.00 0.00 N ATOM 420 CA SER A 30 -7.839 0.224 10.534 1.00 0.00 C ATOM 421 C SER A 30 -7.114 0.486 9.217 1.00 0.00 C ATOM 422 O SER A 30 -6.956 1.634 8.802 1.00 0.00 O ATOM 423 CB SER A 30 -6.822 0.038 11.661 1.00 0.00 C ATOM 424 OG SER A 30 -5.870 -0.959 11.331 1.00 0.00 O ATOM 0 H SER A 30 -8.594 -1.619 11.192 1.00 0.00 H new ATOM 0 HA SER A 30 -8.468 1.085 10.761 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.312 0.982 11.854 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.339 -0.239 12.580 1.00 0.00 H new ATOM 0 HG SER A 30 -6.314 -1.689 10.851 1.00 0.00 H new ATOM 430 N MET A 31 -6.677 -0.586 8.566 1.00 0.00 N ATOM 431 CA MET A 31 -5.970 -0.473 7.295 1.00 0.00 C ATOM 432 C MET A 31 -6.915 -0.027 6.184 1.00 0.00 C ATOM 433 O MET A 31 -6.544 0.770 5.324 1.00 0.00 O ATOM 434 CB MET A 31 -5.324 -1.809 6.925 1.00 0.00 C ATOM 435 CG MET A 31 -4.365 -2.334 7.982 1.00 0.00 C ATOM 436 SD MET A 31 -3.933 -4.066 7.729 1.00 0.00 S ATOM 437 CE MET A 31 -2.435 -3.904 6.760 1.00 0.00 C ATOM 0 H MET A 31 -6.800 -1.543 8.897 1.00 0.00 H new ATOM 0 HA MET A 31 -5.190 0.280 7.408 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.107 -2.548 6.758 1.00 0.00 H new ATOM 0 HB3 MET A 31 -4.787 -1.695 5.983 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.456 -1.732 7.974 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.816 -2.216 8.967 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.241 -4.837 6.231 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.554 -3.095 6.039 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.597 -3.681 7.420 1.00 0.00 H new ATOM 447 N GLU A 32 -8.139 -0.547 6.211 1.00 0.00 N ATOM 448 CA GLU A 32 -9.136 -0.202 5.204 1.00 0.00 C ATOM 449 C GLU A 32 -9.525 1.270 5.306 1.00 0.00 C ATOM 450 O GLU A 32 -9.561 1.983 4.303 1.00 0.00 O ATOM 451 CB GLU A 32 -10.378 -1.081 5.364 1.00 0.00 C ATOM 452 CG GLU A 32 -10.202 -2.489 4.820 1.00 0.00 C ATOM 453 CD GLU A 32 -11.435 -3.349 5.017 1.00 0.00 C ATOM 454 OE1 GLU A 32 -12.133 -3.160 6.036 1.00 0.00 O ATOM 455 OE2 GLU A 32 -11.702 -4.211 4.154 1.00 0.00 O ATOM 0 H GLU A 32 -8.463 -1.207 6.918 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.699 -0.377 4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.638 -1.139 6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.217 -0.606 4.855 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.966 -2.437 3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.352 -2.961 5.312 1.00 0.00 H new ATOM 462 N GLU A 33 -9.815 1.717 6.523 1.00 0.00 N ATOM 463 CA GLU A 33 -10.203 3.104 6.755 1.00 0.00 C ATOM 464 C GLU A 33 -9.086 4.057 6.340 1.00 0.00 C ATOM 465 O GLU A 33 -9.330 5.063 5.673 1.00 0.00 O ATOM 466 CB GLU A 33 -10.551 3.320 8.229 1.00 0.00 C ATOM 467 CG GLU A 33 -9.406 3.005 9.177 1.00 0.00 C ATOM 468 CD GLU A 33 -9.780 3.212 10.632 1.00 0.00 C ATOM 469 OE1 GLU A 33 -10.392 2.299 11.224 1.00 0.00 O ATOM 470 OE2 GLU A 33 -9.460 4.289 11.179 1.00 0.00 O ATOM 0 H GLU A 33 -9.789 1.140 7.364 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.083 3.315 6.147 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.857 4.356 8.373 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -11.407 2.696 8.487 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.091 1.972 9.030 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.552 3.636 8.932 1.00 0.00 H new ATOM 477 N MET A 34 -7.861 3.734 6.739 1.00 0.00 N ATOM 478 CA MET A 34 -6.706 4.561 6.409 1.00 0.00 C ATOM 479 C MET A 34 -6.620 4.797 4.904 1.00 0.00 C ATOM 480 O MET A 34 -6.563 5.939 4.447 1.00 0.00 O ATOM 481 CB MET A 34 -5.419 3.900 6.907 1.00 0.00 C ATOM 482 CG MET A 34 -4.173 4.734 6.660 1.00 0.00 C ATOM 483 SD MET A 34 -3.848 5.909 7.988 1.00 0.00 S ATOM 484 CE MET A 34 -3.455 4.797 9.336 1.00 0.00 C ATOM 0 H MET A 34 -7.642 2.905 7.292 1.00 0.00 H new ATOM 0 HA MET A 34 -6.826 5.524 6.905 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.510 3.705 7.976 1.00 0.00 H new ATOM 0 HB3 MET A 34 -5.303 2.934 6.416 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.314 4.072 6.548 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.283 5.275 5.720 1.00 0.00 H new ATOM 0 HE1 MET A 34 -2.796 5.301 10.043 1.00 0.00 H new ATOM 0 HE2 MET A 34 -4.373 4.502 9.844 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.957 3.911 8.943 1.00 0.00 H new ATOM 494 N THR A 35 -6.610 3.711 4.138 1.00 0.00 N ATOM 495 CA THR A 35 -6.529 3.800 2.686 1.00 0.00 C ATOM 496 C THR A 35 -7.395 4.938 2.156 1.00 0.00 C ATOM 497 O THR A 35 -6.979 5.684 1.271 1.00 0.00 O ATOM 498 CB THR A 35 -6.966 2.483 2.017 1.00 0.00 C ATOM 499 OG1 THR A 35 -6.163 1.400 2.496 1.00 0.00 O ATOM 500 CG2 THR A 35 -6.846 2.579 0.503 1.00 0.00 C ATOM 0 H THR A 35 -6.657 2.758 4.500 1.00 0.00 H new ATOM 0 HA THR A 35 -5.486 3.995 2.439 1.00 0.00 H new ATOM 0 HB THR A 35 -8.010 2.301 2.272 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.426 1.179 3.414 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.160 1.637 0.053 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.482 3.386 0.138 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.810 2.783 0.232 1.00 0.00 H new ATOM 508 N GLU A 36 -8.599 5.064 2.704 1.00 0.00 N ATOM 509 CA GLU A 36 -9.522 6.112 2.285 1.00 0.00 C ATOM 510 C GLU A 36 -9.025 7.484 2.730 1.00 0.00 C ATOM 511 O GLU A 36 -9.103 8.457 1.980 1.00 0.00 O ATOM 512 CB GLU A 36 -10.917 5.852 2.858 1.00 0.00 C ATOM 513 CG GLU A 36 -11.799 5.008 1.954 1.00 0.00 C ATOM 514 CD GLU A 36 -12.528 5.835 0.913 1.00 0.00 C ATOM 515 OE1 GLU A 36 -13.138 6.858 1.289 1.00 0.00 O ATOM 516 OE2 GLU A 36 -12.490 5.459 -0.277 1.00 0.00 O ATOM 0 H GLU A 36 -8.958 4.454 3.438 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.576 6.100 1.196 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.817 5.354 3.822 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.409 6.807 3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.187 4.258 1.453 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.528 4.471 2.562 1.00 0.00 H new ATOM 523 N MET A 37 -8.515 7.554 3.955 1.00 0.00 N ATOM 524 CA MET A 37 -8.005 8.807 4.499 1.00 0.00 C ATOM 525 C MET A 37 -6.895 9.371 3.618 1.00 0.00 C ATOM 526 O MET A 37 -6.887 10.560 3.300 1.00 0.00 O ATOM 527 CB MET A 37 -7.484 8.595 5.922 1.00 0.00 C ATOM 528 CG MET A 37 -8.584 8.529 6.969 1.00 0.00 C ATOM 529 SD MET A 37 -8.061 7.687 8.475 1.00 0.00 S ATOM 530 CE MET A 37 -6.935 8.897 9.165 1.00 0.00 C ATOM 0 H MET A 37 -8.444 6.758 4.589 1.00 0.00 H new ATOM 0 HA MET A 37 -8.825 9.524 4.523 1.00 0.00 H new ATOM 0 HB2 MET A 37 -6.907 7.671 5.955 1.00 0.00 H new ATOM 0 HB3 MET A 37 -6.801 9.406 6.175 1.00 0.00 H new ATOM 0 HG2 MET A 37 -8.906 9.541 7.216 1.00 0.00 H new ATOM 0 HG3 MET A 37 -9.448 8.013 6.550 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.527 8.521 10.103 1.00 0.00 H new ATOM 0 HE2 MET A 37 -6.122 9.079 8.463 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.470 9.828 9.350 1.00 0.00 H new ATOM 540 N GLN A 38 -5.961 8.510 3.227 1.00 0.00 N ATOM 541 CA GLN A 38 -4.847 8.924 2.382 1.00 0.00 C ATOM 542 C GLN A 38 -5.335 9.329 0.996 1.00 0.00 C ATOM 543 O GLN A 38 -5.023 10.415 0.509 1.00 0.00 O ATOM 544 CB GLN A 38 -3.821 7.795 2.265 1.00 0.00 C ATOM 545 CG GLN A 38 -3.237 7.363 3.601 1.00 0.00 C ATOM 546 CD GLN A 38 -2.804 8.537 4.456 1.00 0.00 C ATOM 547 OE1 GLN A 38 -2.428 9.591 3.940 1.00 0.00 O ATOM 548 NE2 GLN A 38 -2.855 8.363 5.771 1.00 0.00 N ATOM 0 H GLN A 38 -5.953 7.522 3.482 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.374 9.789 2.847 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.292 6.935 1.789 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.011 8.118 1.611 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.978 6.777 4.144 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.381 6.711 3.425 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.173 7.473 6.156 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.576 9.119 6.397 1.00 0.00 H new ATOM 557 N GLY A 39 -6.105 8.448 0.364 1.00 0.00 N ATOM 558 CA GLY A 39 -6.624 8.732 -0.962 1.00 0.00 C ATOM 559 C GLY A 39 -6.739 7.487 -1.818 1.00 0.00 C ATOM 560 O GLY A 39 -6.368 7.495 -2.991 1.00 0.00 O ATOM 0 H GLY A 39 -6.379 7.543 0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.605 9.200 -0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.972 9.451 -1.458 1.00 0.00 H new ATOM 564 N GLY A 40 -7.254 6.411 -1.230 1.00 0.00 N ATOM 565 CA GLY A 40 -7.407 5.167 -1.961 1.00 0.00 C ATOM 566 C GLY A 40 -8.572 4.337 -1.458 1.00 0.00 C ATOM 567 O GLY A 40 -9.106 4.596 -0.380 1.00 0.00 O ATOM 0 H GLY A 40 -7.568 6.379 -0.260 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.552 5.386 -3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.489 4.586 -1.879 1.00 0.00 H new ATOM 571 N SER A 41 -8.967 3.339 -2.241 1.00 0.00 N ATOM 572 CA SER A 41 -10.080 2.472 -1.872 1.00 0.00 C ATOM 573 C SER A 41 -9.583 1.079 -1.498 1.00 0.00 C ATOM 574 O SER A 41 -8.395 0.778 -1.621 1.00 0.00 O ATOM 575 CB SER A 41 -11.083 2.376 -3.023 1.00 0.00 C ATOM 576 OG SER A 41 -11.893 3.537 -3.093 1.00 0.00 O ATOM 0 H SER A 41 -8.533 3.110 -3.135 1.00 0.00 H new ATOM 0 HA SER A 41 -10.575 2.907 -1.004 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.549 2.244 -3.964 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.713 1.497 -2.888 1.00 0.00 H new ATOM 0 HG SER A 41 -12.524 3.451 -3.838 1.00 0.00 H new ATOM 582 N TYR A 42 -10.500 0.234 -1.040 1.00 0.00 N ATOM 583 CA TYR A 42 -10.155 -1.127 -0.645 1.00 0.00 C ATOM 584 C TYR A 42 -11.177 -2.125 -1.181 1.00 0.00 C ATOM 585 O TYR A 42 -12.370 -1.828 -1.259 1.00 0.00 O ATOM 586 CB TYR A 42 -10.073 -1.232 0.878 1.00 0.00 C ATOM 587 CG TYR A 42 -11.253 -0.614 1.593 1.00 0.00 C ATOM 588 CD1 TYR A 42 -11.259 0.734 1.928 1.00 0.00 C ATOM 589 CD2 TYR A 42 -12.362 -1.379 1.934 1.00 0.00 C ATOM 590 CE1 TYR A 42 -12.335 1.303 2.581 1.00 0.00 C ATOM 591 CE2 TYR A 42 -13.443 -0.818 2.586 1.00 0.00 C ATOM 592 CZ TYR A 42 -13.425 0.523 2.908 1.00 0.00 C ATOM 593 OH TYR A 42 -14.499 1.085 3.559 1.00 0.00 O ATOM 0 H TYR A 42 -11.487 0.467 -0.933 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.181 -1.367 -1.072 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -9.999 -2.283 1.158 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -9.158 -0.747 1.218 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.408 1.348 1.674 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.379 -2.430 1.685 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -12.323 2.353 2.834 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -14.298 -1.426 2.842 1.00 0.00 H new ATOM 0 HH TYR A 42 -15.182 0.400 3.714 1.00 0.00 H new ATOM 603 N LEU A 43 -10.701 -3.309 -1.548 1.00 0.00 N ATOM 604 CA LEU A 43 -11.572 -4.353 -2.076 1.00 0.00 C ATOM 605 C LEU A 43 -11.277 -5.696 -1.414 1.00 0.00 C ATOM 606 O LEU A 43 -10.197 -5.921 -0.868 1.00 0.00 O ATOM 607 CB LEU A 43 -11.401 -4.470 -3.592 1.00 0.00 C ATOM 608 CG LEU A 43 -12.194 -3.473 -4.436 1.00 0.00 C ATOM 609 CD1 LEU A 43 -11.638 -3.409 -5.850 1.00 0.00 C ATOM 610 CD2 LEU A 43 -13.669 -3.847 -4.458 1.00 0.00 C ATOM 0 H LEU A 43 -9.717 -3.570 -1.490 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.603 -4.078 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.343 -4.355 -3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.687 -5.478 -3.893 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.096 -2.486 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.215 -2.694 -6.436 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.595 -3.093 -5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.704 -4.394 -6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.218 -3.126 -5.064 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.785 -4.843 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.061 -3.840 -3.441 1.00 0.00 H new ATOM 622 N PRO A 44 -12.257 -6.610 -1.466 1.00 0.00 N ATOM 623 CA PRO A 44 -12.124 -7.946 -0.879 1.00 0.00 C ATOM 624 C PRO A 44 -11.136 -8.820 -1.644 1.00 0.00 C ATOM 625 O PRO A 44 -11.123 -8.829 -2.875 1.00 0.00 O ATOM 626 CB PRO A 44 -13.539 -8.522 -0.984 1.00 0.00 C ATOM 627 CG PRO A 44 -14.161 -7.791 -2.123 1.00 0.00 C ATOM 628 CD PRO A 44 -13.570 -6.409 -2.102 1.00 0.00 C ATOM 0 HA PRO A 44 -11.739 -7.907 0.140 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.517 -9.596 -1.168 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -14.099 -8.368 -0.062 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.951 -8.291 -3.069 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.245 -7.753 -2.017 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.471 -5.999 -3.107 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.190 -5.715 -1.534 1.00 0.00 H new ATOM 636 N VAL A 45 -10.309 -9.555 -0.907 1.00 0.00 N ATOM 637 CA VAL A 45 -9.317 -10.433 -1.516 1.00 0.00 C ATOM 638 C VAL A 45 -9.954 -11.333 -2.569 1.00 0.00 C ATOM 639 O VAL A 45 -11.074 -11.812 -2.397 1.00 0.00 O ATOM 640 CB VAL A 45 -8.621 -11.312 -0.459 1.00 0.00 C ATOM 641 CG1 VAL A 45 -7.446 -12.056 -1.074 1.00 0.00 C ATOM 642 CG2 VAL A 45 -8.168 -10.466 0.721 1.00 0.00 C ATOM 0 H VAL A 45 -10.307 -9.560 0.113 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.574 -9.791 -1.990 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.337 -12.049 -0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.967 -12.672 -0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.802 -12.692 -1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.726 -11.338 -1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.678 -11.102 1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.468 -9.705 0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.033 -9.983 1.176 1.00 0.00 H new ATOM 652 N GLY A 46 -9.231 -11.558 -3.662 1.00 0.00 N ATOM 653 CA GLY A 46 -9.741 -12.400 -4.728 1.00 0.00 C ATOM 654 C GLY A 46 -10.047 -11.618 -5.990 1.00 0.00 C ATOM 655 O GLY A 46 -9.664 -12.023 -7.088 1.00 0.00 O ATOM 0 H GLY A 46 -8.301 -11.172 -3.828 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.010 -13.177 -4.954 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.646 -12.903 -4.388 1.00 0.00 H new ATOM 659 N ASP A 47 -10.739 -10.495 -5.834 1.00 0.00 N ATOM 660 CA ASP A 47 -11.096 -9.653 -6.970 1.00 0.00 C ATOM 661 C ASP A 47 -9.852 -9.227 -7.743 1.00 0.00 C ATOM 662 O ASP A 47 -8.756 -9.167 -7.189 1.00 0.00 O ATOM 663 CB ASP A 47 -11.865 -8.419 -6.496 1.00 0.00 C ATOM 664 CG ASP A 47 -12.751 -7.837 -7.579 1.00 0.00 C ATOM 665 OD1 ASP A 47 -12.233 -7.078 -8.425 1.00 0.00 O ATOM 666 OD2 ASP A 47 -13.963 -8.139 -7.582 1.00 0.00 O ATOM 0 H ASP A 47 -11.064 -10.147 -4.932 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.734 -10.235 -7.636 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.477 -8.685 -5.634 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.158 -7.660 -6.163 1.00 0.00 H new ATOM 671 N GLU A 48 -10.032 -8.932 -9.027 1.00 0.00 N ATOM 672 CA GLU A 48 -8.923 -8.513 -9.876 1.00 0.00 C ATOM 673 C GLU A 48 -8.794 -6.992 -9.892 1.00 0.00 C ATOM 674 O GLU A 48 -7.694 -6.454 -10.016 1.00 0.00 O ATOM 675 CB GLU A 48 -9.118 -9.034 -11.302 1.00 0.00 C ATOM 676 CG GLU A 48 -10.426 -8.592 -11.938 1.00 0.00 C ATOM 677 CD GLU A 48 -11.584 -9.503 -11.582 1.00 0.00 C ATOM 678 OE1 GLU A 48 -11.366 -10.729 -11.487 1.00 0.00 O ATOM 679 OE2 GLU A 48 -12.708 -8.991 -11.400 1.00 0.00 O ATOM 0 H GLU A 48 -10.934 -8.975 -9.501 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.005 -8.934 -9.465 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.289 -8.692 -11.921 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.079 -10.123 -11.290 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.656 -7.576 -11.618 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.309 -8.566 -13.021 1.00 0.00 H new ATOM 686 N ARG A 49 -9.925 -6.307 -9.766 1.00 0.00 N ATOM 687 CA ARG A 49 -9.940 -4.849 -9.767 1.00 0.00 C ATOM 688 C ARG A 49 -8.793 -4.293 -8.927 1.00 0.00 C ATOM 689 O ARG A 49 -8.213 -3.259 -9.259 1.00 0.00 O ATOM 690 CB ARG A 49 -11.276 -4.331 -9.232 1.00 0.00 C ATOM 691 CG ARG A 49 -12.448 -4.595 -10.163 1.00 0.00 C ATOM 692 CD ARG A 49 -13.680 -3.807 -9.744 1.00 0.00 C ATOM 693 NE ARG A 49 -14.368 -4.427 -8.615 1.00 0.00 N ATOM 694 CZ ARG A 49 -15.473 -3.933 -8.066 1.00 0.00 C ATOM 695 NH1 ARG A 49 -16.011 -2.818 -8.541 1.00 0.00 N ATOM 696 NH2 ARG A 49 -16.041 -4.555 -7.041 1.00 0.00 N ATOM 0 H ARG A 49 -10.844 -6.738 -9.662 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.812 -4.510 -10.795 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.477 -4.797 -8.267 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.196 -3.258 -9.057 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.172 -4.326 -11.183 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.679 -5.660 -10.166 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.387 -2.792 -9.477 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.365 -3.730 -10.588 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.979 -5.286 -8.226 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.577 -2.338 -9.329 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.859 -2.441 -8.118 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.630 -5.413 -6.674 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.889 -4.175 -6.620 1.00 0.00 H new ATOM 710 N CYS A 50 -8.474 -4.986 -7.840 1.00 0.00 N ATOM 711 CA CYS A 50 -7.397 -4.561 -6.952 1.00 0.00 C ATOM 712 C CYS A 50 -6.088 -4.408 -7.719 1.00 0.00 C ATOM 713 O CYS A 50 -5.675 -5.307 -8.451 1.00 0.00 O ATOM 714 CB CYS A 50 -7.221 -5.567 -5.813 1.00 0.00 C ATOM 715 SG CYS A 50 -6.831 -7.245 -6.364 1.00 0.00 S ATOM 0 H CYS A 50 -8.945 -5.844 -7.552 1.00 0.00 H new ATOM 0 HA CYS A 50 -7.666 -3.592 -6.533 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.426 -5.218 -5.154 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -8.136 -5.594 -5.221 1.00 0.00 H new ATOM 0 HG CYS A 50 -7.914 -7.825 -6.788 1.00 0.00 H new ATOM 721 N THR A 51 -5.439 -3.260 -7.547 1.00 0.00 N ATOM 722 CA THR A 51 -4.178 -2.986 -8.225 1.00 0.00 C ATOM 723 C THR A 51 -2.999 -3.553 -7.443 1.00 0.00 C ATOM 724 O THR A 51 -2.094 -4.124 -8.049 1.00 0.00 O ATOM 725 CB THR A 51 -3.966 -1.474 -8.427 1.00 0.00 C ATOM 726 OG1 THR A 51 -3.765 -0.834 -7.163 1.00 0.00 O ATOM 727 CG2 THR A 51 -5.160 -0.850 -9.133 1.00 0.00 C ATOM 0 H THR A 51 -5.766 -2.505 -6.944 1.00 0.00 H new ATOM 0 HA THR A 51 -4.231 -3.471 -9.200 1.00 0.00 H new ATOM 0 HB THR A 51 -3.082 -1.334 -9.049 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.827 -0.927 -6.895 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.987 0.218 -9.265 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.292 -1.319 -10.108 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.057 -1.001 -8.533 1.00 0.00 H new ATOM 735 N HIS A 52 -3.034 -3.387 -6.129 1.00 0.00 N ATOM 736 CA HIS A 52 -1.964 -3.887 -5.282 1.00 0.00 C ATOM 737 C HIS A 52 -2.530 -4.901 -4.285 1.00 0.00 C ATOM 738 O HIS A 52 -3.719 -4.909 -3.965 1.00 0.00 O ATOM 739 CB HIS A 52 -1.226 -2.733 -4.601 1.00 0.00 C ATOM 740 CG HIS A 52 -0.460 -1.847 -5.553 1.00 0.00 C ATOM 741 ND1 HIS A 52 -1.077 -0.932 -6.387 1.00 0.00 N ATOM 742 CD2 HIS A 52 0.879 -1.745 -5.794 1.00 0.00 C ATOM 743 CE1 HIS A 52 -0.143 -0.313 -7.094 1.00 0.00 C ATOM 744 NE2 HIS A 52 1.069 -0.819 -6.725 1.00 0.00 N ATOM 0 H HIS A 52 -3.787 -2.913 -5.630 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.224 -4.405 -5.892 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.948 -2.125 -4.056 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.534 -3.142 -3.865 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.653 -2.321 -5.309 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.311 0.457 -7.833 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.972 -0.533 -7.103 1.00 0.00 H new ATOM 752 N LEU A 53 -1.644 -5.762 -3.797 1.00 0.00 N ATOM 753 CA LEU A 53 -2.027 -6.790 -2.836 1.00 0.00 C ATOM 754 C LEU A 53 -1.036 -6.848 -1.677 1.00 0.00 C ATOM 755 O LEU A 53 0.135 -7.178 -1.866 1.00 0.00 O ATOM 756 CB LEU A 53 -2.106 -8.155 -3.523 1.00 0.00 C ATOM 757 CG LEU A 53 -2.225 -9.366 -2.597 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.392 -9.193 -1.638 1.00 0.00 C ATOM 759 CD2 LEU A 53 -2.384 -10.644 -3.409 1.00 0.00 C ATOM 0 H LEU A 53 -0.656 -5.769 -4.051 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.009 -6.533 -2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.963 -8.152 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.217 -8.281 -4.140 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.309 -9.442 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.460 -10.065 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.236 -8.300 -1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.317 -9.090 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.467 -11.496 -2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.283 -10.577 -4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.515 -10.776 -4.054 1.00 0.00 H new ATOM 771 N ILE A 54 -1.514 -6.528 -0.480 1.00 0.00 N ATOM 772 CA ILE A 54 -0.671 -6.547 0.709 1.00 0.00 C ATOM 773 C ILE A 54 -0.953 -7.779 1.563 1.00 0.00 C ATOM 774 O ILE A 54 -1.969 -7.849 2.254 1.00 0.00 O ATOM 775 CB ILE A 54 -0.878 -5.284 1.566 1.00 0.00 C ATOM 776 CG1 ILE A 54 -0.396 -4.044 0.810 1.00 0.00 C ATOM 777 CG2 ILE A 54 -0.146 -5.419 2.893 1.00 0.00 C ATOM 778 CD1 ILE A 54 -1.461 -3.418 -0.063 1.00 0.00 C ATOM 0 H ILE A 54 -2.481 -6.252 -0.307 1.00 0.00 H new ATOM 0 HA ILE A 54 0.362 -6.576 0.363 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.943 -5.171 1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.045 -3.304 1.529 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.458 -4.316 0.189 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.302 -4.519 3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.531 -6.283 3.435 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.920 -5.552 2.709 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.050 -2.544 -0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.796 -4.143 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.306 -3.115 0.555 1.00 0.00 H new ATOM 790 N VAL A 55 -0.045 -8.748 1.511 1.00 0.00 N ATOM 791 CA VAL A 55 -0.193 -9.977 2.282 1.00 0.00 C ATOM 792 C VAL A 55 0.829 -10.044 3.411 1.00 0.00 C ATOM 793 O VAL A 55 1.991 -9.684 3.231 1.00 0.00 O ATOM 794 CB VAL A 55 -0.038 -11.222 1.389 1.00 0.00 C ATOM 795 CG1 VAL A 55 1.236 -11.132 0.564 1.00 0.00 C ATOM 796 CG2 VAL A 55 -0.047 -12.487 2.234 1.00 0.00 C ATOM 0 H VAL A 55 0.801 -8.706 0.943 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.197 -9.966 2.705 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.884 -11.264 0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.328 -12.020 -0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.198 -10.246 -0.069 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.097 -11.065 1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.063 -13.357 1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.779 -12.456 2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.990 -12.555 2.776 1.00 0.00 H new ATOM 806 N GLU A 56 0.386 -10.507 4.576 1.00 0.00 N ATOM 807 CA GLU A 56 1.263 -10.621 5.735 1.00 0.00 C ATOM 808 C GLU A 56 2.300 -11.721 5.527 1.00 0.00 C ATOM 809 O GLU A 56 1.975 -12.908 5.555 1.00 0.00 O ATOM 810 CB GLU A 56 0.445 -10.909 6.996 1.00 0.00 C ATOM 811 CG GLU A 56 1.274 -10.925 8.269 1.00 0.00 C ATOM 812 CD GLU A 56 1.415 -9.549 8.890 1.00 0.00 C ATOM 813 OE1 GLU A 56 0.520 -9.152 9.665 1.00 0.00 O ATOM 814 OE2 GLU A 56 2.422 -8.869 8.601 1.00 0.00 O ATOM 0 H GLU A 56 -0.574 -10.809 4.742 1.00 0.00 H new ATOM 0 HA GLU A 56 1.785 -9.672 5.858 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.337 -10.156 7.091 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.052 -11.873 6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.813 -11.600 8.990 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.264 -11.323 8.048 1.00 0.00 H new ATOM 821 N GLU A 57 3.549 -11.317 5.317 1.00 0.00 N ATOM 822 CA GLU A 57 4.633 -12.268 5.102 1.00 0.00 C ATOM 823 C GLU A 57 5.192 -12.765 6.433 1.00 0.00 C ATOM 824 O GLU A 57 6.384 -13.047 6.551 1.00 0.00 O ATOM 825 CB GLU A 57 5.749 -11.626 4.276 1.00 0.00 C ATOM 826 CG GLU A 57 6.344 -10.384 4.918 1.00 0.00 C ATOM 827 CD GLU A 57 7.803 -10.183 4.557 1.00 0.00 C ATOM 828 OE1 GLU A 57 8.408 -11.115 3.986 1.00 0.00 O ATOM 829 OE2 GLU A 57 8.340 -9.092 4.845 1.00 0.00 O ATOM 0 H GLU A 57 3.835 -10.338 5.291 1.00 0.00 H new ATOM 0 HA GLU A 57 4.231 -13.120 4.555 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.541 -12.358 4.119 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.357 -11.365 3.293 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.773 -9.509 4.607 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.248 -10.458 6.001 1.00 0.00 H new ATOM 836 N ASN A 58 4.322 -12.869 7.432 1.00 0.00 N ATOM 837 CA ASN A 58 4.728 -13.331 8.754 1.00 0.00 C ATOM 838 C ASN A 58 4.021 -14.633 9.117 1.00 0.00 C ATOM 839 O ASN A 58 4.568 -15.471 9.834 1.00 0.00 O ATOM 840 CB ASN A 58 4.424 -12.262 9.806 1.00 0.00 C ATOM 841 CG ASN A 58 5.540 -11.242 9.932 1.00 0.00 C ATOM 842 OD1 ASN A 58 6.106 -11.055 11.010 1.00 0.00 O ATOM 843 ND2 ASN A 58 5.860 -10.576 8.829 1.00 0.00 N ATOM 0 H ASN A 58 3.331 -12.640 7.351 1.00 0.00 H new ATOM 0 HA ASN A 58 5.802 -13.516 8.733 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.497 -11.752 9.545 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.263 -12.741 10.771 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.602 -9.876 8.853 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.364 -10.764 7.958 1.00 0.00 H new ATOM 850 N THR A 59 2.800 -14.796 8.617 1.00 0.00 N ATOM 851 CA THR A 59 2.016 -15.995 8.888 1.00 0.00 C ATOM 852 C THR A 59 1.528 -16.637 7.595 1.00 0.00 C ATOM 853 O THR A 59 1.295 -17.844 7.538 1.00 0.00 O ATOM 854 CB THR A 59 0.802 -15.682 9.783 1.00 0.00 C ATOM 855 OG1 THR A 59 0.194 -16.900 10.227 1.00 0.00 O ATOM 856 CG2 THR A 59 -0.221 -14.842 9.033 1.00 0.00 C ATOM 0 H THR A 59 2.332 -14.112 8.022 1.00 0.00 H new ATOM 0 HA THR A 59 2.673 -16.691 9.410 1.00 0.00 H new ATOM 0 HB THR A 59 1.151 -15.115 10.646 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.576 -16.693 10.797 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.069 -14.634 9.685 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.237 -13.903 8.722 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.565 -15.387 8.154 1.00 0.00 H new ATOM 864 N VAL A 60 1.375 -15.821 6.556 1.00 0.00 N ATOM 865 CA VAL A 60 0.916 -16.311 5.261 1.00 0.00 C ATOM 866 C VAL A 60 2.061 -16.935 4.472 1.00 0.00 C ATOM 867 O VAL A 60 3.193 -16.452 4.512 1.00 0.00 O ATOM 868 CB VAL A 60 0.287 -15.180 4.425 1.00 0.00 C ATOM 869 CG1 VAL A 60 -0.228 -15.720 3.099 1.00 0.00 C ATOM 870 CG2 VAL A 60 -0.830 -14.501 5.203 1.00 0.00 C ATOM 0 H VAL A 60 1.562 -14.819 6.586 1.00 0.00 H new ATOM 0 HA VAL A 60 0.160 -17.071 5.459 1.00 0.00 H new ATOM 0 HB VAL A 60 1.056 -14.437 4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.669 -14.907 2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.599 -16.157 2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.983 -16.484 3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.263 -13.705 4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.601 -15.232 5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.427 -14.079 6.124 1.00 0.00 H new ATOM 880 N LYS A 61 1.760 -18.011 3.754 1.00 0.00 N ATOM 881 CA LYS A 61 2.763 -18.702 2.952 1.00 0.00 C ATOM 882 C LYS A 61 2.373 -18.706 1.477 1.00 0.00 C ATOM 883 O LYS A 61 3.149 -18.285 0.620 1.00 0.00 O ATOM 884 CB LYS A 61 2.939 -20.140 3.447 1.00 0.00 C ATOM 885 CG LYS A 61 3.796 -20.252 4.696 1.00 0.00 C ATOM 886 CD LYS A 61 3.729 -21.647 5.295 1.00 0.00 C ATOM 887 CE LYS A 61 2.407 -21.883 6.009 1.00 0.00 C ATOM 888 NZ LYS A 61 2.227 -20.958 7.162 1.00 0.00 N ATOM 0 H LYS A 61 0.828 -18.424 3.711 1.00 0.00 H new ATOM 0 HA LYS A 61 3.707 -18.168 3.059 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.957 -20.568 3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.389 -20.736 2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.830 -20.009 4.452 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.463 -19.522 5.434 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.856 -22.389 4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.552 -21.783 5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.585 -21.750 5.305 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.363 -22.914 6.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.541 -21.365 7.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.139 -20.821 7.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.875 -20.041 6.820 1.00 0.00 H new ATOM 902 N ASP A 62 1.166 -19.181 1.190 1.00 0.00 N ATOM 903 CA ASP A 62 0.672 -19.236 -0.181 1.00 0.00 C ATOM 904 C ASP A 62 -0.735 -18.654 -0.276 1.00 0.00 C ATOM 905 O ASP A 62 -1.588 -18.924 0.571 1.00 0.00 O ATOM 906 CB ASP A 62 0.676 -20.679 -0.689 1.00 0.00 C ATOM 907 CG ASP A 62 0.256 -21.670 0.378 1.00 0.00 C ATOM 908 OD1 ASP A 62 -0.959 -21.766 0.652 1.00 0.00 O ATOM 909 OD2 ASP A 62 1.141 -22.349 0.939 1.00 0.00 O ATOM 0 H ASP A 62 0.512 -19.534 1.888 1.00 0.00 H new ATOM 0 HA ASP A 62 1.336 -18.637 -0.805 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.004 -20.762 -1.543 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.675 -20.933 -1.044 1.00 0.00 H new ATOM 914 N LEU A 63 -0.970 -17.854 -1.309 1.00 0.00 N ATOM 915 CA LEU A 63 -2.274 -17.232 -1.515 1.00 0.00 C ATOM 916 C LEU A 63 -3.329 -18.280 -1.853 1.00 0.00 C ATOM 917 O LEU A 63 -3.062 -19.267 -2.538 1.00 0.00 O ATOM 918 CB LEU A 63 -2.194 -16.192 -2.633 1.00 0.00 C ATOM 919 CG LEU A 63 -1.194 -15.055 -2.422 1.00 0.00 C ATOM 920 CD1 LEU A 63 -1.065 -14.216 -3.684 1.00 0.00 C ATOM 921 CD2 LEU A 63 -1.613 -14.188 -1.244 1.00 0.00 C ATOM 0 H LEU A 63 -0.275 -17.620 -2.018 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.564 -16.737 -0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.940 -16.704 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.184 -15.757 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.220 -15.491 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.349 -13.412 -3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.718 -14.844 -4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.036 -13.790 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.890 -13.384 -1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.597 -13.762 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.653 -14.796 -0.340 1.00 0.00 H new ATOM 933 N PRO A 64 -4.559 -18.061 -1.365 1.00 0.00 N ATOM 934 CA PRO A 64 -5.680 -18.974 -1.605 1.00 0.00 C ATOM 935 C PRO A 64 -6.147 -18.950 -3.056 1.00 0.00 C ATOM 936 O PRO A 64 -6.774 -19.896 -3.533 1.00 0.00 O ATOM 937 CB PRO A 64 -6.778 -18.438 -0.682 1.00 0.00 C ATOM 938 CG PRO A 64 -6.450 -16.996 -0.500 1.00 0.00 C ATOM 939 CD PRO A 64 -4.949 -16.905 -0.540 1.00 0.00 C ATOM 0 HA PRO A 64 -5.409 -20.012 -1.411 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.765 -18.566 -1.125 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.786 -18.966 0.272 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.899 -16.391 -1.288 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.839 -16.624 0.448 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.615 -15.966 -0.981 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.516 -16.960 0.459 1.00 0.00 H new ATOM 947 N PHE A 65 -5.836 -17.863 -3.755 1.00 0.00 N ATOM 948 CA PHE A 65 -6.224 -17.716 -5.153 1.00 0.00 C ATOM 949 C PHE A 65 -4.999 -17.509 -6.038 1.00 0.00 C ATOM 950 O PHE A 65 -3.868 -17.474 -5.553 1.00 0.00 O ATOM 951 CB PHE A 65 -7.189 -16.539 -5.315 1.00 0.00 C ATOM 952 CG PHE A 65 -6.524 -15.198 -5.194 1.00 0.00 C ATOM 953 CD1 PHE A 65 -6.158 -14.701 -3.953 1.00 0.00 C ATOM 954 CD2 PHE A 65 -6.266 -14.434 -6.321 1.00 0.00 C ATOM 955 CE1 PHE A 65 -5.546 -13.467 -3.838 1.00 0.00 C ATOM 956 CE2 PHE A 65 -5.654 -13.199 -6.211 1.00 0.00 C ATOM 957 CZ PHE A 65 -5.295 -12.715 -4.969 1.00 0.00 C ATOM 0 H PHE A 65 -5.316 -17.071 -3.376 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.724 -18.633 -5.464 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.674 -16.609 -6.289 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.973 -16.616 -4.562 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.353 -15.285 -3.066 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.546 -14.807 -7.295 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.265 -13.091 -2.865 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.457 -12.613 -7.097 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.819 -11.750 -4.882 1.00 0.00 H new ATOM 967 N GLU A 66 -5.233 -17.374 -7.340 1.00 0.00 N ATOM 968 CA GLU A 66 -4.148 -17.172 -8.294 1.00 0.00 C ATOM 969 C GLU A 66 -4.220 -15.780 -8.914 1.00 0.00 C ATOM 970 O GLU A 66 -4.886 -15.557 -9.925 1.00 0.00 O ATOM 971 CB GLU A 66 -4.201 -18.235 -9.393 1.00 0.00 C ATOM 972 CG GLU A 66 -2.859 -18.493 -10.056 1.00 0.00 C ATOM 973 CD GLU A 66 -2.996 -19.168 -11.407 1.00 0.00 C ATOM 974 OE1 GLU A 66 -4.028 -18.953 -12.077 1.00 0.00 O ATOM 975 OE2 GLU A 66 -2.070 -19.911 -11.795 1.00 0.00 O ATOM 0 H GLU A 66 -6.163 -17.401 -7.758 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.204 -17.262 -7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.571 -19.167 -8.967 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.918 -17.924 -10.153 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.331 -17.547 -10.178 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.249 -19.117 -9.403 1.00 0.00 H new ATOM 982 N PRO A 67 -3.519 -14.819 -8.293 1.00 0.00 N ATOM 983 CA PRO A 67 -3.487 -13.432 -8.765 1.00 0.00 C ATOM 984 C PRO A 67 -2.719 -13.283 -10.074 1.00 0.00 C ATOM 985 O PRO A 67 -1.830 -14.078 -10.378 1.00 0.00 O ATOM 986 CB PRO A 67 -2.768 -12.689 -7.636 1.00 0.00 C ATOM 987 CG PRO A 67 -1.932 -13.728 -6.972 1.00 0.00 C ATOM 988 CD PRO A 67 -2.703 -15.014 -7.083 1.00 0.00 C ATOM 0 HA PRO A 67 -4.486 -13.050 -8.976 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.155 -11.876 -8.025 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.478 -12.247 -6.938 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.959 -13.814 -7.456 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.748 -13.472 -5.929 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.039 -15.873 -7.180 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.323 -15.188 -6.204 1.00 0.00 H new ATOM 996 N SER A 68 -3.068 -12.259 -10.847 1.00 0.00 N ATOM 997 CA SER A 68 -2.413 -12.007 -12.125 1.00 0.00 C ATOM 998 C SER A 68 -1.129 -11.208 -11.930 1.00 0.00 C ATOM 999 O SER A 68 -1.044 -10.351 -11.050 1.00 0.00 O ATOM 1000 CB SER A 68 -3.357 -11.256 -13.066 1.00 0.00 C ATOM 1001 OG SER A 68 -4.436 -12.080 -13.471 1.00 0.00 O ATOM 0 H SER A 68 -3.801 -11.590 -10.610 1.00 0.00 H new ATOM 0 HA SER A 68 -2.157 -12.969 -12.570 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.742 -10.367 -12.566 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.806 -10.916 -13.943 1.00 0.00 H new ATOM 0 HG SER A 68 -5.025 -11.576 -14.070 1.00 0.00 H new ATOM 1007 N LYS A 69 -0.130 -11.494 -12.758 1.00 0.00 N ATOM 1008 CA LYS A 69 1.152 -10.803 -12.679 1.00 0.00 C ATOM 1009 C LYS A 69 0.950 -9.301 -12.504 1.00 0.00 C ATOM 1010 O LYS A 69 1.535 -8.686 -11.612 1.00 0.00 O ATOM 1011 CB LYS A 69 1.979 -11.074 -13.938 1.00 0.00 C ATOM 1012 CG LYS A 69 3.478 -11.021 -13.704 1.00 0.00 C ATOM 1013 CD LYS A 69 3.983 -9.589 -13.642 1.00 0.00 C ATOM 1014 CE LYS A 69 4.235 -9.026 -15.032 1.00 0.00 C ATOM 1015 NZ LYS A 69 5.398 -9.681 -15.693 1.00 0.00 N ATOM 0 H LYS A 69 -0.183 -12.200 -13.492 1.00 0.00 H new ATOM 0 HA LYS A 69 1.689 -11.183 -11.810 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.716 -12.056 -14.331 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.713 -10.343 -14.702 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.720 -11.534 -12.773 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.991 -11.554 -14.504 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.254 -8.967 -13.123 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.904 -9.552 -13.061 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.345 -9.162 -15.646 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.414 -7.953 -14.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.760 -9.065 -16.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.148 -9.847 -14.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.099 -10.590 -16.101 1.00 0.00 H new ATOM 1029 N LYS A 70 0.118 -8.717 -13.359 1.00 0.00 N ATOM 1030 CA LYS A 70 -0.164 -7.288 -13.298 1.00 0.00 C ATOM 1031 C LYS A 70 -0.295 -6.821 -11.852 1.00 0.00 C ATOM 1032 O LYS A 70 0.300 -5.817 -11.456 1.00 0.00 O ATOM 1033 CB LYS A 70 -1.448 -6.967 -14.067 1.00 0.00 C ATOM 1034 CG LYS A 70 -2.568 -7.963 -13.823 1.00 0.00 C ATOM 1035 CD LYS A 70 -3.768 -7.682 -14.712 1.00 0.00 C ATOM 1036 CE LYS A 70 -3.555 -8.214 -16.121 1.00 0.00 C ATOM 1037 NZ LYS A 70 -4.024 -9.620 -16.259 1.00 0.00 N ATOM 0 H LYS A 70 -0.373 -9.212 -14.103 1.00 0.00 H new ATOM 0 HA LYS A 70 0.670 -6.758 -13.759 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.791 -5.971 -13.786 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.225 -6.938 -15.134 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.204 -8.974 -14.010 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.871 -7.922 -12.777 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.658 -8.140 -14.280 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.950 -6.608 -14.751 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.087 -7.582 -16.832 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.496 -8.158 -16.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.290 -10.186 -16.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.214 -10.017 -15.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.896 -9.641 -16.826 1.00 0.00 H new ATOM 1051 N LEU A 71 -1.076 -7.554 -11.066 1.00 0.00 N ATOM 1052 CA LEU A 71 -1.284 -7.216 -9.662 1.00 0.00 C ATOM 1053 C LEU A 71 0.044 -7.164 -8.913 1.00 0.00 C ATOM 1054 O LEU A 71 0.804 -8.132 -8.909 1.00 0.00 O ATOM 1055 CB LEU A 71 -2.215 -8.235 -9.004 1.00 0.00 C ATOM 1056 CG LEU A 71 -2.344 -8.142 -7.483 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -3.373 -7.090 -7.098 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -2.717 -9.495 -6.896 1.00 0.00 C ATOM 0 H LEU A 71 -1.576 -8.387 -11.377 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.745 -6.230 -9.615 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.208 -8.125 -9.440 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.864 -9.235 -9.258 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.379 -7.844 -7.073 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.451 -7.038 -6.012 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.064 -6.120 -7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.342 -7.358 -7.519 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.804 -9.410 -5.813 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.670 -9.822 -7.312 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.944 -10.224 -7.142 1.00 0.00 H new ATOM 1070 N PHE A 72 0.315 -6.028 -8.278 1.00 0.00 N ATOM 1071 CA PHE A 72 1.550 -5.850 -7.523 1.00 0.00 C ATOM 1072 C PHE A 72 1.382 -6.332 -6.085 1.00 0.00 C ATOM 1073 O PHE A 72 0.731 -5.677 -5.271 1.00 0.00 O ATOM 1074 CB PHE A 72 1.972 -4.380 -7.535 1.00 0.00 C ATOM 1075 CG PHE A 72 2.184 -3.828 -8.915 1.00 0.00 C ATOM 1076 CD1 PHE A 72 3.302 -4.180 -9.653 1.00 0.00 C ATOM 1077 CD2 PHE A 72 1.263 -2.957 -9.476 1.00 0.00 C ATOM 1078 CE1 PHE A 72 3.500 -3.673 -10.923 1.00 0.00 C ATOM 1079 CE2 PHE A 72 1.455 -2.447 -10.746 1.00 0.00 C ATOM 1080 CZ PHE A 72 2.574 -2.806 -11.471 1.00 0.00 C ATOM 0 H PHE A 72 -0.304 -5.217 -8.271 1.00 0.00 H new ATOM 0 HA PHE A 72 2.328 -6.447 -7.999 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.210 -3.788 -7.029 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.893 -4.270 -6.963 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.028 -4.859 -9.231 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.385 -2.674 -8.914 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.377 -3.954 -11.487 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.730 -1.768 -11.171 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.725 -2.410 -12.464 1.00 0.00 H new ATOM 1090 N VAL A 73 1.975 -7.482 -5.779 1.00 0.00 N ATOM 1091 CA VAL A 73 1.892 -8.052 -4.440 1.00 0.00 C ATOM 1092 C VAL A 73 3.098 -7.652 -3.597 1.00 0.00 C ATOM 1093 O VAL A 73 4.244 -7.855 -3.998 1.00 0.00 O ATOM 1094 CB VAL A 73 1.802 -9.589 -4.489 1.00 0.00 C ATOM 1095 CG1 VAL A 73 1.437 -10.146 -3.121 1.00 0.00 C ATOM 1096 CG2 VAL A 73 0.793 -10.030 -5.539 1.00 0.00 C ATOM 0 H VAL A 73 2.518 -8.037 -6.441 1.00 0.00 H new ATOM 0 HA VAL A 73 0.985 -7.656 -3.983 1.00 0.00 H new ATOM 0 HB VAL A 73 2.779 -9.984 -4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.378 -11.233 -3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.199 -9.859 -2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.472 -9.745 -2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.742 -11.119 -5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.189 -9.626 -5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.102 -9.662 -6.517 1.00 0.00 H new ATOM 1106 N VAL A 74 2.832 -7.082 -2.426 1.00 0.00 N ATOM 1107 CA VAL A 74 3.895 -6.654 -1.525 1.00 0.00 C ATOM 1108 C VAL A 74 3.564 -7.004 -0.079 1.00 0.00 C ATOM 1109 O VAL A 74 2.555 -7.653 0.199 1.00 0.00 O ATOM 1110 CB VAL A 74 4.144 -5.137 -1.631 1.00 0.00 C ATOM 1111 CG1 VAL A 74 4.786 -4.793 -2.966 1.00 0.00 C ATOM 1112 CG2 VAL A 74 2.844 -4.370 -1.441 1.00 0.00 C ATOM 0 H VAL A 74 1.889 -6.906 -2.079 1.00 0.00 H new ATOM 0 HA VAL A 74 4.798 -7.185 -1.826 1.00 0.00 H new ATOM 0 HB VAL A 74 4.832 -4.843 -0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.954 -3.718 -3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.739 -5.315 -3.057 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.126 -5.100 -3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.038 -3.300 -1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.131 -4.666 -2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.430 -4.593 -0.458 1.00 0.00 H new ATOM 1122 N LYS A 75 4.419 -6.569 0.840 1.00 0.00 N ATOM 1123 CA LYS A 75 4.218 -6.834 2.260 1.00 0.00 C ATOM 1124 C LYS A 75 3.419 -5.712 2.915 1.00 0.00 C ATOM 1125 O LYS A 75 2.982 -4.777 2.245 1.00 0.00 O ATOM 1126 CB LYS A 75 5.566 -6.994 2.966 1.00 0.00 C ATOM 1127 CG LYS A 75 6.485 -8.004 2.301 1.00 0.00 C ATOM 1128 CD LYS A 75 7.478 -7.327 1.372 1.00 0.00 C ATOM 1129 CE LYS A 75 7.985 -8.284 0.304 1.00 0.00 C ATOM 1130 NZ LYS A 75 9.346 -7.913 -0.173 1.00 0.00 N ATOM 0 H LYS A 75 5.259 -6.031 0.627 1.00 0.00 H new ATOM 0 HA LYS A 75 3.653 -7.761 2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.067 -6.026 2.999 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.392 -7.298 3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.024 -8.565 3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.890 -8.723 1.738 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.005 -6.467 0.897 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.320 -6.948 1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.004 -9.298 0.704 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.293 -8.287 -0.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.333 -7.801 -1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.636 -7.017 0.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.020 -8.661 0.086 1.00 0.00 H new ATOM 1144 N GLN A 76 3.233 -5.812 4.227 1.00 0.00 N ATOM 1145 CA GLN A 76 2.487 -4.804 4.971 1.00 0.00 C ATOM 1146 C GLN A 76 3.252 -3.486 5.020 1.00 0.00 C ATOM 1147 O GLN A 76 2.666 -2.413 4.883 1.00 0.00 O ATOM 1148 CB GLN A 76 2.204 -5.295 6.392 1.00 0.00 C ATOM 1149 CG GLN A 76 3.428 -5.291 7.293 1.00 0.00 C ATOM 1150 CD GLN A 76 4.462 -6.319 6.877 1.00 0.00 C ATOM 1151 OE1 GLN A 76 5.619 -5.985 6.622 1.00 0.00 O ATOM 1152 NE2 GLN A 76 4.049 -7.579 6.807 1.00 0.00 N ATOM 0 H GLN A 76 3.588 -6.580 4.796 1.00 0.00 H new ATOM 0 HA GLN A 76 1.541 -4.635 4.456 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.433 -4.666 6.838 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.802 -6.307 6.344 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.881 -4.300 7.280 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.119 -5.487 8.320 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.080 -7.811 7.027 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.700 -8.315 6.533 1.00 0.00 H new ATOM 1161 N GLU A 77 4.564 -3.575 5.215 1.00 0.00 N ATOM 1162 CA GLU A 77 5.408 -2.388 5.282 1.00 0.00 C ATOM 1163 C GLU A 77 5.038 -1.394 4.184 1.00 0.00 C ATOM 1164 O GLU A 77 4.690 -0.247 4.463 1.00 0.00 O ATOM 1165 CB GLU A 77 6.883 -2.776 5.157 1.00 0.00 C ATOM 1166 CG GLU A 77 7.841 -1.659 5.536 1.00 0.00 C ATOM 1167 CD GLU A 77 8.105 -1.597 7.028 1.00 0.00 C ATOM 1168 OE1 GLU A 77 7.214 -2.002 7.804 1.00 0.00 O ATOM 1169 OE2 GLU A 77 9.201 -1.145 7.419 1.00 0.00 O ATOM 0 H GLU A 77 5.065 -4.456 5.329 1.00 0.00 H new ATOM 0 HA GLU A 77 5.245 -1.912 6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.077 -3.641 5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.084 -3.082 4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.785 -1.801 5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.431 -0.705 5.204 1.00 0.00 H new ATOM 1176 N TRP A 78 5.117 -1.844 2.937 1.00 0.00 N ATOM 1177 CA TRP A 78 4.791 -0.994 1.797 1.00 0.00 C ATOM 1178 C TRP A 78 3.630 -0.063 2.127 1.00 0.00 C ATOM 1179 O TRP A 78 3.771 1.160 2.082 1.00 0.00 O ATOM 1180 CB TRP A 78 4.443 -1.852 0.579 1.00 0.00 C ATOM 1181 CG TRP A 78 4.250 -1.053 -0.674 1.00 0.00 C ATOM 1182 CD1 TRP A 78 5.188 -0.794 -1.633 1.00 0.00 C ATOM 1183 CD2 TRP A 78 3.046 -0.408 -1.103 1.00 0.00 C ATOM 1184 NE1 TRP A 78 4.639 -0.026 -2.632 1.00 0.00 N ATOM 1185 CE2 TRP A 78 3.326 0.223 -2.331 1.00 0.00 C ATOM 1186 CE3 TRP A 78 1.758 -0.304 -0.571 1.00 0.00 C ATOM 1187 CZ2 TRP A 78 2.365 0.947 -3.031 1.00 0.00 C ATOM 1188 CZ3 TRP A 78 0.806 0.415 -1.267 1.00 0.00 C ATOM 1189 CH2 TRP A 78 1.112 1.033 -2.486 1.00 0.00 C ATOM 0 H TRP A 78 5.403 -2.791 2.689 1.00 0.00 H new ATOM 0 HA TRP A 78 5.666 -0.386 1.566 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.237 -2.581 0.418 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.532 -2.414 0.787 1.00 0.00 H new ATOM 0 HD1 TRP A 78 6.210 -1.142 -1.610 1.00 0.00 H new ATOM 0 HE1 TRP A 78 5.130 0.305 -3.463 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.511 -0.777 0.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 2.600 1.424 -3.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.192 0.502 -0.864 1.00 0.00 H new ATOM 0 HH2 TRP A 78 0.345 1.588 -3.006 1.00 0.00 H new ATOM 1200 N PHE A 79 2.483 -0.647 2.457 1.00 0.00 N ATOM 1201 CA PHE A 79 1.297 0.132 2.794 1.00 0.00 C ATOM 1202 C PHE A 79 1.605 1.142 3.896 1.00 0.00 C ATOM 1203 O PHE A 79 1.390 2.343 3.729 1.00 0.00 O ATOM 1204 CB PHE A 79 0.162 -0.793 3.237 1.00 0.00 C ATOM 1205 CG PHE A 79 -1.029 -0.060 3.786 1.00 0.00 C ATOM 1206 CD1 PHE A 79 -1.902 0.602 2.939 1.00 0.00 C ATOM 1207 CD2 PHE A 79 -1.275 -0.035 5.149 1.00 0.00 C ATOM 1208 CE1 PHE A 79 -2.998 1.278 3.441 1.00 0.00 C ATOM 1209 CE2 PHE A 79 -2.370 0.639 5.658 1.00 0.00 C ATOM 1210 CZ PHE A 79 -3.233 1.295 4.802 1.00 0.00 C ATOM 0 H PHE A 79 2.349 -1.657 2.498 1.00 0.00 H new ATOM 0 HA PHE A 79 0.985 0.677 1.903 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.154 -1.399 2.388 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.538 -1.479 3.996 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.724 0.590 1.874 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.604 -0.548 5.822 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.670 1.792 2.770 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.550 0.652 6.723 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.090 1.820 5.196 1.00 0.00 H new ATOM 1220 N TRP A 80 2.107 0.646 5.021 1.00 0.00 N ATOM 1221 CA TRP A 80 2.444 1.505 6.151 1.00 0.00 C ATOM 1222 C TRP A 80 3.329 2.665 5.708 1.00 0.00 C ATOM 1223 O TRP A 80 2.906 3.820 5.723 1.00 0.00 O ATOM 1224 CB TRP A 80 3.150 0.695 7.240 1.00 0.00 C ATOM 1225 CG TRP A 80 2.271 -0.339 7.875 1.00 0.00 C ATOM 1226 CD1 TRP A 80 2.519 -1.678 7.972 1.00 0.00 C ATOM 1227 CD2 TRP A 80 1.002 -0.117 8.500 1.00 0.00 C ATOM 1228 NE1 TRP A 80 1.480 -2.303 8.620 1.00 0.00 N ATOM 1229 CE2 TRP A 80 0.537 -1.368 8.955 1.00 0.00 C ATOM 1230 CE3 TRP A 80 0.213 1.015 8.722 1.00 0.00 C ATOM 1231 CZ2 TRP A 80 -0.679 -1.514 9.616 1.00 0.00 C ATOM 1232 CZ3 TRP A 80 -0.994 0.867 9.378 1.00 0.00 C ATOM 1233 CH2 TRP A 80 -1.431 -0.389 9.819 1.00 0.00 C ATOM 0 H TRP A 80 2.290 -0.346 5.175 1.00 0.00 H new ATOM 0 HA TRP A 80 1.518 1.913 6.555 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.023 0.205 6.810 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.514 1.375 8.010 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.402 -2.173 7.595 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.421 -3.302 8.819 1.00 0.00 H new ATOM 0 HE3 TRP A 80 0.541 1.988 8.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -1.017 -2.481 9.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.612 1.735 9.554 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.380 -0.471 10.329 1.00 0.00 H new ATOM 1244 N GLY A 81 4.559 2.349 5.315 1.00 0.00 N ATOM 1245 CA GLY A 81 5.483 3.378 4.874 1.00 0.00 C ATOM 1246 C GLY A 81 4.822 4.407 3.979 1.00 0.00 C ATOM 1247 O GLY A 81 4.742 5.584 4.330 1.00 0.00 O ATOM 0 H GLY A 81 4.932 1.400 5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.908 3.878 5.745 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.311 2.913 4.338 1.00 0.00 H new ATOM 1251 N SER A 82 4.348 3.963 2.819 1.00 0.00 N ATOM 1252 CA SER A 82 3.695 4.856 1.869 1.00 0.00 C ATOM 1253 C SER A 82 2.783 5.844 2.590 1.00 0.00 C ATOM 1254 O SER A 82 2.669 7.004 2.192 1.00 0.00 O ATOM 1255 CB SER A 82 2.886 4.049 0.851 1.00 0.00 C ATOM 1256 OG SER A 82 3.732 3.471 -0.128 1.00 0.00 O ATOM 0 H SER A 82 4.404 2.991 2.515 1.00 0.00 H new ATOM 0 HA SER A 82 4.469 5.417 1.346 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.329 3.265 1.364 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.154 4.696 0.368 1.00 0.00 H new ATOM 0 HG SER A 82 4.038 2.593 0.181 1.00 0.00 H new ATOM 1262 N ILE A 83 2.137 5.377 3.653 1.00 0.00 N ATOM 1263 CA ILE A 83 1.236 6.219 4.430 1.00 0.00 C ATOM 1264 C ILE A 83 2.014 7.232 5.264 1.00 0.00 C ATOM 1265 O ILE A 83 1.729 8.429 5.227 1.00 0.00 O ATOM 1266 CB ILE A 83 0.346 5.378 5.364 1.00 0.00 C ATOM 1267 CG1 ILE A 83 -0.477 4.375 4.553 1.00 0.00 C ATOM 1268 CG2 ILE A 83 -0.566 6.281 6.182 1.00 0.00 C ATOM 1269 CD1 ILE A 83 -0.796 3.104 5.309 1.00 0.00 C ATOM 0 H ILE A 83 2.221 4.420 3.996 1.00 0.00 H new ATOM 0 HA ILE A 83 0.603 6.748 3.717 1.00 0.00 H new ATOM 0 HB ILE A 83 0.986 4.824 6.050 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.409 4.848 4.244 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.068 4.120 3.644 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.189 5.672 6.837 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.039 6.960 6.784 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.202 6.859 5.512 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.381 2.440 4.673 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.132 2.608 5.595 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.369 3.347 6.204 1.00 0.00 H new ATOM 1281 N GLN A 84 2.997 6.744 6.013 1.00 0.00 N ATOM 1282 CA GLN A 84 3.816 7.608 6.855 1.00 0.00 C ATOM 1283 C GLN A 84 4.491 8.695 6.025 1.00 0.00 C ATOM 1284 O GLN A 84 4.413 9.878 6.354 1.00 0.00 O ATOM 1285 CB GLN A 84 4.873 6.783 7.592 1.00 0.00 C ATOM 1286 CG GLN A 84 5.320 7.403 8.906 1.00 0.00 C ATOM 1287 CD GLN A 84 5.902 6.382 9.864 1.00 0.00 C ATOM 1288 OE1 GLN A 84 5.391 5.269 9.990 1.00 0.00 O ATOM 1289 NE2 GLN A 84 6.978 6.757 10.546 1.00 0.00 N ATOM 0 H GLN A 84 3.246 5.756 6.054 1.00 0.00 H new ATOM 0 HA GLN A 84 3.163 8.086 7.585 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.474 5.787 7.786 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.741 6.658 6.945 1.00 0.00 H new ATOM 0 HG2 GLN A 84 6.065 8.173 8.705 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.470 7.896 9.378 1.00 0.00 H new ATOM 0 HE21 GLN A 84 7.368 7.689 10.410 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.414 6.113 11.206 1.00 0.00 H new ATOM 1298 N MET A 85 5.152 8.286 4.947 1.00 0.00 N ATOM 1299 CA MET A 85 5.840 9.226 4.070 1.00 0.00 C ATOM 1300 C MET A 85 4.870 9.842 3.067 1.00 0.00 C ATOM 1301 O MET A 85 5.231 10.749 2.317 1.00 0.00 O ATOM 1302 CB MET A 85 6.981 8.525 3.330 1.00 0.00 C ATOM 1303 CG MET A 85 6.527 7.334 2.502 1.00 0.00 C ATOM 1304 SD MET A 85 7.583 7.040 1.071 1.00 0.00 S ATOM 1305 CE MET A 85 7.398 5.270 0.871 1.00 0.00 C ATOM 0 H MET A 85 5.226 7.310 4.660 1.00 0.00 H new ATOM 0 HA MET A 85 6.253 10.024 4.686 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.475 9.244 2.677 1.00 0.00 H new ATOM 0 HB3 MET A 85 7.723 8.191 4.056 1.00 0.00 H new ATOM 0 HG2 MET A 85 6.516 6.443 3.130 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.504 7.499 2.166 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.376 4.793 0.931 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.755 4.880 1.660 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.950 5.058 -0.100 1.00 0.00 H new ATOM 1315 N ASP A 86 3.638 9.344 3.058 1.00 0.00 N ATOM 1316 CA ASP A 86 2.616 9.846 2.147 1.00 0.00 C ATOM 1317 C ASP A 86 3.105 9.798 0.703 1.00 0.00 C ATOM 1318 O ASP A 86 2.813 10.692 -0.091 1.00 0.00 O ATOM 1319 CB ASP A 86 2.229 11.278 2.521 1.00 0.00 C ATOM 1320 CG ASP A 86 1.360 11.337 3.762 1.00 0.00 C ATOM 1321 OD1 ASP A 86 0.150 11.044 3.654 1.00 0.00 O ATOM 1322 OD2 ASP A 86 1.889 11.676 4.841 1.00 0.00 O ATOM 0 H ASP A 86 3.323 8.593 3.672 1.00 0.00 H new ATOM 0 HA ASP A 86 1.738 9.206 2.236 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.133 11.864 2.686 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.698 11.738 1.687 1.00 0.00 H new ATOM 1327 N ALA A 87 3.851 8.750 0.370 1.00 0.00 N ATOM 1328 CA ALA A 87 4.379 8.586 -0.978 1.00 0.00 C ATOM 1329 C ALA A 87 4.360 7.121 -1.400 1.00 0.00 C ATOM 1330 O ALA A 87 4.840 6.249 -0.675 1.00 0.00 O ATOM 1331 CB ALA A 87 5.793 9.143 -1.063 1.00 0.00 C ATOM 0 H ALA A 87 4.103 8.002 1.016 1.00 0.00 H new ATOM 0 HA ALA A 87 3.739 9.143 -1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.175 9.014 -2.076 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.782 10.204 -0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.436 8.611 -0.362 1.00 0.00 H new ATOM 1337 N ARG A 88 3.801 6.856 -2.577 1.00 0.00 N ATOM 1338 CA ARG A 88 3.717 5.496 -3.094 1.00 0.00 C ATOM 1339 C ARG A 88 5.107 4.882 -3.237 1.00 0.00 C ATOM 1340 O ARG A 88 5.823 5.160 -4.198 1.00 0.00 O ATOM 1341 CB ARG A 88 3.002 5.485 -4.446 1.00 0.00 C ATOM 1342 CG ARG A 88 2.583 4.097 -4.903 1.00 0.00 C ATOM 1343 CD ARG A 88 1.545 4.164 -6.012 1.00 0.00 C ATOM 1344 NE ARG A 88 1.622 3.011 -6.905 1.00 0.00 N ATOM 1345 CZ ARG A 88 2.640 2.785 -7.727 1.00 0.00 C ATOM 1346 NH1 ARG A 88 3.663 3.628 -7.769 1.00 0.00 N ATOM 1347 NH2 ARG A 88 2.637 1.713 -8.509 1.00 0.00 N ATOM 0 H ARG A 88 3.400 7.566 -3.190 1.00 0.00 H new ATOM 0 HA ARG A 88 3.146 4.899 -2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.118 6.120 -4.385 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.658 5.923 -5.198 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.457 3.549 -5.255 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.178 3.541 -4.057 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.549 4.216 -5.573 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.688 5.078 -6.588 1.00 0.00 H new ATOM 0 HE ARG A 88 0.852 2.343 -6.897 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.669 4.453 -7.169 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.444 3.452 -8.401 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.852 1.062 -8.479 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.419 1.540 -9.140 1.00 0.00 H new ATOM 1361 N ALA A 89 5.480 4.046 -2.274 1.00 0.00 N ATOM 1362 CA ALA A 89 6.783 3.392 -2.292 1.00 0.00 C ATOM 1363 C ALA A 89 6.883 2.401 -3.448 1.00 0.00 C ATOM 1364 O ALA A 89 5.874 1.884 -3.923 1.00 0.00 O ATOM 1365 CB ALA A 89 7.040 2.689 -0.968 1.00 0.00 C ATOM 0 H ALA A 89 4.898 3.805 -1.471 1.00 0.00 H new ATOM 0 HA ALA A 89 7.545 4.158 -2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.016 2.205 -0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.020 3.419 -0.159 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.268 1.938 -0.799 1.00 0.00 H new ATOM 1371 N GLY A 90 8.108 2.143 -3.895 1.00 0.00 N ATOM 1372 CA GLY A 90 8.317 1.216 -4.992 1.00 0.00 C ATOM 1373 C GLY A 90 8.124 -0.229 -4.575 1.00 0.00 C ATOM 1374 O GLY A 90 9.039 -0.853 -4.038 1.00 0.00 O ATOM 0 H GLY A 90 8.959 2.559 -3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.626 1.453 -5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.325 1.346 -5.386 1.00 0.00 H new ATOM 1378 N GLU A 91 6.931 -0.760 -4.820 1.00 0.00 N ATOM 1379 CA GLU A 91 6.621 -2.140 -4.463 1.00 0.00 C ATOM 1380 C GLU A 91 7.782 -3.066 -4.813 1.00 0.00 C ATOM 1381 O GLU A 91 7.926 -4.145 -4.238 1.00 0.00 O ATOM 1382 CB GLU A 91 5.351 -2.603 -5.180 1.00 0.00 C ATOM 1383 CG GLU A 91 5.309 -2.223 -6.651 1.00 0.00 C ATOM 1384 CD GLU A 91 6.102 -3.177 -7.523 1.00 0.00 C ATOM 1385 OE1 GLU A 91 5.859 -4.399 -7.435 1.00 0.00 O ATOM 1386 OE2 GLU A 91 6.963 -2.703 -8.292 1.00 0.00 O ATOM 0 H GLU A 91 6.163 -0.256 -5.264 1.00 0.00 H new ATOM 0 HA GLU A 91 6.457 -2.182 -3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.268 -3.686 -5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.484 -2.174 -4.678 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.273 -2.205 -6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.702 -1.214 -6.773 1.00 0.00 H new ATOM 1393 N THR A 92 8.609 -2.636 -5.762 1.00 0.00 N ATOM 1394 CA THR A 92 9.756 -3.426 -6.191 1.00 0.00 C ATOM 1395 C THR A 92 10.610 -3.847 -5.000 1.00 0.00 C ATOM 1396 O THR A 92 11.097 -4.976 -4.942 1.00 0.00 O ATOM 1397 CB THR A 92 10.634 -2.646 -7.187 1.00 0.00 C ATOM 1398 OG1 THR A 92 9.827 -2.129 -8.251 1.00 0.00 O ATOM 1399 CG2 THR A 92 11.726 -3.537 -7.760 1.00 0.00 C ATOM 0 H THR A 92 8.505 -1.745 -6.248 1.00 0.00 H new ATOM 0 HA THR A 92 9.361 -4.314 -6.684 1.00 0.00 H new ATOM 0 HB THR A 92 11.104 -1.820 -6.653 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.914 -2.474 -8.166 1.00 0.00 H new ATOM 0 HG21 THR A 92 12.333 -2.964 -8.461 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.357 -3.906 -6.951 1.00 0.00 H new ATOM 0 HG23 THR A 92 11.272 -4.381 -8.279 1.00 0.00 H new ATOM 1407 N MET A 93 10.787 -2.933 -4.052 1.00 0.00 N ATOM 1408 CA MET A 93 11.581 -3.211 -2.861 1.00 0.00 C ATOM 1409 C MET A 93 10.734 -3.891 -1.790 1.00 0.00 C ATOM 1410 O MET A 93 11.237 -4.256 -0.727 1.00 0.00 O ATOM 1411 CB MET A 93 12.182 -1.917 -2.308 1.00 0.00 C ATOM 1412 CG MET A 93 11.334 -0.687 -2.587 1.00 0.00 C ATOM 1413 SD MET A 93 11.947 0.784 -1.743 1.00 0.00 S ATOM 1414 CE MET A 93 12.269 1.864 -3.136 1.00 0.00 C ATOM 0 H MET A 93 10.391 -1.993 -4.085 1.00 0.00 H new ATOM 0 HA MET A 93 12.389 -3.886 -3.143 1.00 0.00 H new ATOM 0 HB2 MET A 93 12.316 -2.019 -1.231 1.00 0.00 H new ATOM 0 HB3 MET A 93 13.172 -1.772 -2.740 1.00 0.00 H new ATOM 0 HG2 MET A 93 11.311 -0.502 -3.661 1.00 0.00 H new ATOM 0 HG3 MET A 93 10.308 -0.879 -2.275 1.00 0.00 H new ATOM 0 HE1 MET A 93 12.655 2.818 -2.775 1.00 0.00 H new ATOM 0 HE2 MET A 93 13.005 1.400 -3.793 1.00 0.00 H new ATOM 0 HE3 MET A 93 11.344 2.032 -3.688 1.00 0.00 H new ATOM 1424 N TYR A 94 9.448 -4.057 -2.076 1.00 0.00 N ATOM 1425 CA TYR A 94 8.531 -4.691 -1.136 1.00 0.00 C ATOM 1426 C TYR A 94 7.743 -5.808 -1.812 1.00 0.00 C ATOM 1427 O TYR A 94 6.735 -6.281 -1.284 1.00 0.00 O ATOM 1428 CB TYR A 94 7.569 -3.654 -0.553 1.00 0.00 C ATOM 1429 CG TYR A 94 8.266 -2.480 0.097 1.00 0.00 C ATOM 1430 CD1 TYR A 94 8.662 -1.380 -0.655 1.00 0.00 C ATOM 1431 CD2 TYR A 94 8.527 -2.469 1.461 1.00 0.00 C ATOM 1432 CE1 TYR A 94 9.300 -0.305 -0.066 1.00 0.00 C ATOM 1433 CE2 TYR A 94 9.163 -1.398 2.059 1.00 0.00 C ATOM 1434 CZ TYR A 94 9.547 -0.318 1.291 1.00 0.00 C ATOM 1435 OH TYR A 94 10.181 0.750 1.882 1.00 0.00 O ATOM 0 H TYR A 94 9.016 -3.761 -2.952 1.00 0.00 H new ATOM 0 HA TYR A 94 9.121 -5.125 -0.329 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.920 -3.286 -1.347 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.928 -4.139 0.184 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.468 -1.365 -1.717 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.227 -3.313 2.065 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.604 0.541 -0.665 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.358 -1.406 3.121 1.00 0.00 H new ATOM 0 HH TYR A 94 10.277 0.583 2.843 1.00 0.00 H new ATOM 1445 N LEU A 95 8.211 -6.228 -2.983 1.00 0.00 N ATOM 1446 CA LEU A 95 7.552 -7.291 -3.733 1.00 0.00 C ATOM 1447 C LEU A 95 7.584 -8.605 -2.958 1.00 0.00 C ATOM 1448 O LEU A 95 8.651 -9.170 -2.719 1.00 0.00 O ATOM 1449 CB LEU A 95 8.223 -7.473 -5.095 1.00 0.00 C ATOM 1450 CG LEU A 95 7.701 -6.584 -6.225 1.00 0.00 C ATOM 1451 CD1 LEU A 95 8.547 -6.760 -7.476 1.00 0.00 C ATOM 1452 CD2 LEU A 95 6.241 -6.897 -6.518 1.00 0.00 C ATOM 0 H LEU A 95 9.044 -5.848 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 95 6.511 -7.004 -3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.291 -7.289 -4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.110 -8.514 -5.397 1.00 0.00 H new ATOM 0 HG LEU A 95 7.772 -5.544 -5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.161 -6.120 -8.269 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.579 -6.486 -7.259 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.508 -7.801 -7.798 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.886 -6.255 -7.324 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.145 -7.941 -6.816 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.644 -6.719 -5.623 1.00 0.00 H new ATOM 1464 N TYR A 96 6.408 -9.086 -2.570 1.00 0.00 N ATOM 1465 CA TYR A 96 6.301 -10.333 -1.823 1.00 0.00 C ATOM 1466 C TYR A 96 6.943 -11.485 -2.589 1.00 0.00 C ATOM 1467 O TYR A 96 6.626 -11.722 -3.754 1.00 0.00 O ATOM 1468 CB TYR A 96 4.834 -10.654 -1.533 1.00 0.00 C ATOM 1469 CG TYR A 96 4.636 -11.941 -0.764 1.00 0.00 C ATOM 1470 CD1 TYR A 96 5.237 -12.133 0.474 1.00 0.00 C ATOM 1471 CD2 TYR A 96 3.850 -12.966 -1.277 1.00 0.00 C ATOM 1472 CE1 TYR A 96 5.060 -13.308 1.179 1.00 0.00 C ATOM 1473 CE2 TYR A 96 3.666 -14.143 -0.578 1.00 0.00 C ATOM 1474 CZ TYR A 96 4.273 -14.309 0.650 1.00 0.00 C ATOM 1475 OH TYR A 96 4.094 -15.481 1.348 1.00 0.00 O ATOM 0 H TYR A 96 5.515 -8.631 -2.761 1.00 0.00 H new ATOM 0 HA TYR A 96 6.832 -10.208 -0.880 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.396 -9.832 -0.967 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.291 -10.717 -2.476 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.853 -11.351 0.892 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.375 -12.840 -2.239 1.00 0.00 H new ATOM 0 HE1 TYR A 96 5.536 -13.442 2.139 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.051 -14.929 -0.990 1.00 0.00 H new ATOM 0 HH TYR A 96 3.767 -16.177 0.741 1.00 0.00 H new