USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 545 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 THR OG1 : rot 100:sc= 1.28 USER MOD Single : A 9 SER OG : rot 21:sc= -1.02! USER MOD Single : A 10 THR OG1 : rot -90:sc= 0.523 USER MOD Single : A 16 MET CE :methyl 166:sc= -0.0163 (180deg=-0.289) USER MOD Single : A 17 THR OG1 : rot 49:sc= 0.366 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 20 SER OG : rot 180:sc= -0.0584 USER MOD Single : A 21 CYS SG : rot -5:sc= 0.264 USER MOD Single : A 23 LYS NZ :NH3+ 172:sc=-0.00599 (180deg=-0.109) USER MOD Single : A 24 SER OG : rot 150:sc= 0.212 USER MOD Single : A 30 SER OG : rot -8:sc= 0.87 USER MOD Single : A 31 ASN : amide:sc= -0.159 K(o=-0.16,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -163:sc= -0.0435 (180deg=-0.382) USER MOD Single : A 39 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0613) USER MOD Single : A 41 SER OG : rot 180:sc= -1.09 USER MOD Single : A 44 GLN : amide:sc= -0.198 K(o=-0.2,f=-3!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -160:sc= 0.988 USER MOD Single : A 54 SER OG : rot 180:sc= -0.297 USER MOD Single : A 57 CYS SG : rot 180:sc= -3.88! USER MOD Single : A 59 GLN : amide:sc= -0.0474 K(o=-0.047,f=-0.55) USER MOD Single : A 60 GLN : amide:sc= -0.265 K(o=-0.26,f=-0.82) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.44 K(o=-0.44,f=-1.5) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 4.812 -9.808 -1.201 1.00 0.00 N ATOM 72 CA VAL A 6 4.132 -8.616 -0.737 1.00 0.00 C ATOM 73 C VAL A 6 5.053 -7.416 -0.802 1.00 0.00 C ATOM 74 O VAL A 6 6.178 -7.450 -0.295 1.00 0.00 O ATOM 75 CB VAL A 6 3.603 -8.778 0.713 1.00 0.00 C ATOM 76 CG1 VAL A 6 2.892 -7.513 1.177 1.00 0.00 C ATOM 77 CG2 VAL A 6 2.677 -9.979 0.820 1.00 0.00 C ATOM 0 HA VAL A 6 3.279 -8.460 -1.398 1.00 0.00 H new ATOM 0 HB VAL A 6 4.460 -8.947 1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.530 -7.652 2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.587 -6.674 1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.049 -7.307 0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.319 -10.072 1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.828 -9.845 0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.219 -10.883 0.542 1.00 0.00 H new ATOM 87 N ALA A 7 4.584 -6.372 -1.441 1.00 0.00 N ATOM 88 CA ALA A 7 5.338 -5.154 -1.562 1.00 0.00 C ATOM 89 C ALA A 7 4.833 -4.136 -0.567 1.00 0.00 C ATOM 90 O ALA A 7 3.622 -3.950 -0.421 1.00 0.00 O ATOM 91 CB ALA A 7 5.221 -4.604 -2.975 1.00 0.00 C ATOM 0 H ALA A 7 3.669 -6.345 -1.891 1.00 0.00 H new ATOM 0 HA ALA A 7 6.387 -5.365 -1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.796 -3.681 -3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.609 -5.336 -3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.174 -4.400 -3.200 1.00 0.00 H new ATOM 97 N THR A 8 5.746 -3.493 0.126 1.00 0.00 N ATOM 98 CA THR A 8 5.379 -2.468 1.064 1.00 0.00 C ATOM 99 C THR A 8 5.789 -1.123 0.536 1.00 0.00 C ATOM 100 O THR A 8 6.796 -1.000 -0.175 1.00 0.00 O ATOM 101 CB THR A 8 6.033 -2.684 2.441 1.00 0.00 C ATOM 102 OG1 THR A 8 7.462 -2.746 2.300 1.00 0.00 O ATOM 103 CG2 THR A 8 5.535 -3.964 3.076 1.00 0.00 C ATOM 0 H THR A 8 6.749 -3.666 0.054 1.00 0.00 H new ATOM 0 HA THR A 8 4.297 -2.516 1.189 1.00 0.00 H new ATOM 0 HB THR A 8 5.764 -1.845 3.083 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.852 -1.880 2.541 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.010 -4.097 4.048 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.454 -3.910 3.205 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.782 -4.809 2.433 1.00 0.00 H new ATOM 111 N SER A 9 5.011 -0.128 0.844 1.00 0.00 N ATOM 112 CA SER A 9 5.312 1.196 0.422 1.00 0.00 C ATOM 113 C SER A 9 4.598 2.203 1.289 1.00 0.00 C ATOM 114 O SER A 9 3.508 1.938 1.797 1.00 0.00 O ATOM 115 CB SER A 9 4.913 1.383 -1.046 1.00 0.00 C ATOM 116 OG SER A 9 5.247 2.678 -1.508 1.00 0.00 O ATOM 0 H SER A 9 4.155 -0.216 1.392 1.00 0.00 H new ATOM 0 HA SER A 9 6.386 1.357 0.520 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.415 0.635 -1.660 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.841 1.220 -1.157 1.00 0.00 H new ATOM 0 HG SER A 9 5.938 3.063 -0.930 1.00 0.00 H new ATOM 122 N THR A 10 5.226 3.327 1.487 1.00 0.00 N ATOM 123 CA THR A 10 4.617 4.424 2.148 1.00 0.00 C ATOM 124 C THR A 10 4.447 5.544 1.144 1.00 0.00 C ATOM 125 O THR A 10 5.416 6.157 0.702 1.00 0.00 O ATOM 126 CB THR A 10 5.443 4.899 3.369 1.00 0.00 C ATOM 127 OG1 THR A 10 6.835 5.022 3.018 1.00 0.00 O ATOM 128 CG2 THR A 10 5.292 3.932 4.532 1.00 0.00 C ATOM 0 H THR A 10 6.185 3.500 1.187 1.00 0.00 H new ATOM 0 HA THR A 10 3.647 4.113 2.537 1.00 0.00 H new ATOM 0 HB THR A 10 5.064 5.875 3.673 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.290 4.170 3.183 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.881 4.286 5.378 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.243 3.871 4.820 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.644 2.945 4.232 1.00 0.00 H new ATOM 136 N VAL A 11 3.221 5.789 0.766 1.00 0.00 N ATOM 137 CA VAL A 11 2.934 6.790 -0.231 1.00 0.00 C ATOM 138 C VAL A 11 2.575 8.105 0.431 1.00 0.00 C ATOM 139 O VAL A 11 1.685 8.155 1.287 1.00 0.00 O ATOM 140 CB VAL A 11 1.794 6.323 -1.190 1.00 0.00 C ATOM 141 CG1 VAL A 11 0.537 5.941 -0.418 1.00 0.00 C ATOM 142 CG2 VAL A 11 1.482 7.388 -2.228 1.00 0.00 C ATOM 0 H VAL A 11 2.400 5.308 1.134 1.00 0.00 H new ATOM 0 HA VAL A 11 3.832 6.937 -0.832 1.00 0.00 H new ATOM 0 HB VAL A 11 2.150 5.434 -1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.236 5.621 -1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.765 5.126 0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.181 6.803 0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.685 7.036 -2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.163 8.302 -1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.374 7.591 -2.820 1.00 0.00 H new ATOM 152 N ARG A 12 3.289 9.165 0.073 1.00 0.00 N ATOM 153 CA ARG A 12 3.009 10.463 0.659 1.00 0.00 C ATOM 154 C ARG A 12 1.756 11.032 0.049 1.00 0.00 C ATOM 155 O ARG A 12 1.509 10.864 -1.149 1.00 0.00 O ATOM 156 CB ARG A 12 4.177 11.447 0.493 1.00 0.00 C ATOM 157 CG ARG A 12 4.447 11.881 -0.938 1.00 0.00 C ATOM 158 CD ARG A 12 5.586 12.894 -0.996 1.00 0.00 C ATOM 159 NE ARG A 12 5.916 13.299 -2.368 1.00 0.00 N ATOM 160 CZ ARG A 12 5.311 14.294 -3.038 1.00 0.00 C ATOM 161 NH1 ARG A 12 4.323 14.991 -2.478 1.00 0.00 N ATOM 162 NH2 ARG A 12 5.703 14.598 -4.267 1.00 0.00 N ATOM 0 H ARG A 12 4.050 9.151 -0.606 1.00 0.00 H new ATOM 0 HA ARG A 12 2.868 10.318 1.730 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.975 12.333 1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.080 10.988 0.895 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.698 11.011 -1.545 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.545 12.318 -1.366 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.312 13.776 -0.417 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.471 12.466 -0.525 1.00 0.00 H new ATOM 0 HE ARG A 12 6.658 12.788 -2.847 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.018 14.772 -1.530 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.872 15.744 -2.998 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.463 14.077 -4.703 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.244 15.353 -4.776 1.00 0.00 H new ATOM 176 N ILE A 13 0.973 11.694 0.856 1.00 0.00 N ATOM 177 CA ILE A 13 -0.267 12.272 0.397 1.00 0.00 C ATOM 178 C ILE A 13 -0.190 13.782 0.497 1.00 0.00 C ATOM 179 O ILE A 13 0.000 14.327 1.584 1.00 0.00 O ATOM 180 CB ILE A 13 -1.466 11.769 1.247 1.00 0.00 C ATOM 181 CG1 ILE A 13 -1.529 10.229 1.257 1.00 0.00 C ATOM 182 CG2 ILE A 13 -2.776 12.356 0.733 1.00 0.00 C ATOM 183 CD1 ILE A 13 -1.682 9.601 -0.114 1.00 0.00 C ATOM 0 H ILE A 13 1.172 11.849 1.844 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.421 11.969 -0.639 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.316 12.108 2.272 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.621 9.843 1.721 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.365 9.915 1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.602 11.991 1.343 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.735 13.444 0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.928 12.054 -0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.718 8.516 -0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.604 9.954 -0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.834 9.881 -0.739 1.00 0.00 H new ATOM 195 N LEU A 14 -0.319 14.458 -0.624 1.00 0.00 N ATOM 196 CA LEU A 14 -0.281 15.901 -0.633 1.00 0.00 C ATOM 197 C LEU A 14 -1.538 16.461 -1.272 1.00 0.00 C ATOM 198 O LEU A 14 -1.813 16.220 -2.452 1.00 0.00 O ATOM 199 CB LEU A 14 0.962 16.407 -1.371 1.00 0.00 C ATOM 200 CG LEU A 14 1.113 17.931 -1.448 1.00 0.00 C ATOM 201 CD1 LEU A 14 1.218 18.535 -0.054 1.00 0.00 C ATOM 202 CD2 LEU A 14 2.327 18.301 -2.280 1.00 0.00 C ATOM 0 H LEU A 14 -0.451 14.030 -1.540 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.231 16.247 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.845 15.997 -0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.947 16.010 -2.386 1.00 0.00 H new ATOM 0 HG LEU A 14 0.224 18.339 -1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.324 19.617 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.318 18.300 0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.087 18.121 0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.420 19.386 -2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.223 17.878 -1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.211 17.905 -3.289 1.00 0.00 H new ATOM 214 N GLY A 15 -2.299 17.192 -0.490 1.00 0.00 N ATOM 215 CA GLY A 15 -3.498 17.801 -0.988 1.00 0.00 C ATOM 216 C GLY A 15 -4.141 18.679 0.049 1.00 0.00 C ATOM 217 O GLY A 15 -3.940 18.469 1.250 1.00 0.00 O ATOM 0 H GLY A 15 -2.104 17.376 0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.266 18.392 -1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.200 17.026 -1.296 1.00 0.00 H new ATOM 221 N MET A 16 -4.901 19.669 -0.398 1.00 0.00 N ATOM 222 CA MET A 16 -5.598 20.563 0.518 1.00 0.00 C ATOM 223 C MET A 16 -6.654 19.811 1.311 1.00 0.00 C ATOM 224 O MET A 16 -6.828 20.038 2.507 1.00 0.00 O ATOM 225 CB MET A 16 -6.218 21.744 -0.227 1.00 0.00 C ATOM 226 CG MET A 16 -5.191 22.719 -0.781 1.00 0.00 C ATOM 227 SD MET A 16 -5.936 24.060 -1.725 1.00 0.00 S ATOM 228 CE MET A 16 -6.778 24.960 -0.421 1.00 0.00 C ATOM 0 H MET A 16 -5.051 19.874 -1.386 1.00 0.00 H new ATOM 0 HA MET A 16 -4.863 20.959 1.219 1.00 0.00 H new ATOM 0 HB2 MET A 16 -6.828 21.366 -1.048 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.887 22.278 0.448 1.00 0.00 H new ATOM 0 HG2 MET A 16 -4.614 23.138 0.043 1.00 0.00 H new ATOM 0 HG3 MET A 16 -4.491 22.178 -1.418 1.00 0.00 H new ATOM 0 HE1 MET A 16 -7.076 25.941 -0.790 1.00 0.00 H new ATOM 0 HE2 MET A 16 -7.663 24.405 -0.109 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.107 25.081 0.429 1.00 0.00 H new ATOM 238 N THR A 17 -7.350 18.914 0.648 1.00 0.00 N ATOM 239 CA THR A 17 -8.341 18.096 1.299 1.00 0.00 C ATOM 240 C THR A 17 -7.878 16.645 1.355 1.00 0.00 C ATOM 241 O THR A 17 -8.201 15.831 0.480 1.00 0.00 O ATOM 242 CB THR A 17 -9.707 18.202 0.599 1.00 0.00 C ATOM 243 OG1 THR A 17 -9.522 18.206 -0.820 1.00 0.00 O ATOM 244 CG2 THR A 17 -10.435 19.467 1.025 1.00 0.00 C ATOM 0 H THR A 17 -7.244 18.734 -0.350 1.00 0.00 H new ATOM 0 HA THR A 17 -8.463 18.465 2.317 1.00 0.00 H new ATOM 0 HB THR A 17 -10.311 17.342 0.887 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.928 17.469 -1.074 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.398 19.521 0.518 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.593 19.450 2.103 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.836 20.338 0.760 1.00 0.00 H new ATOM 252 N CYS A 18 -7.092 16.336 2.379 1.00 0.00 N ATOM 253 CA CYS A 18 -6.534 15.008 2.549 1.00 0.00 C ATOM 254 C CYS A 18 -7.638 13.967 2.710 1.00 0.00 C ATOM 255 O CYS A 18 -7.601 12.911 2.085 1.00 0.00 O ATOM 256 CB CYS A 18 -5.579 14.975 3.747 1.00 0.00 C ATOM 257 SG CYS A 18 -4.738 13.392 3.988 1.00 0.00 S ATOM 0 H CYS A 18 -6.827 16.997 3.109 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.968 14.761 1.651 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.829 15.756 3.620 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.140 15.216 4.650 1.00 0.00 H new ATOM 0 HG CYS A 18 -3.954 13.470 5.022 1.00 0.00 H new ATOM 263 N GLN A 19 -8.635 14.285 3.519 1.00 0.00 N ATOM 264 CA GLN A 19 -9.726 13.356 3.779 1.00 0.00 C ATOM 265 C GLN A 19 -10.478 13.024 2.493 1.00 0.00 C ATOM 266 O GLN A 19 -10.850 11.873 2.264 1.00 0.00 O ATOM 267 CB GLN A 19 -10.685 13.941 4.814 1.00 0.00 C ATOM 268 CG GLN A 19 -10.090 14.040 6.207 1.00 0.00 C ATOM 269 CD GLN A 19 -11.027 14.697 7.200 1.00 0.00 C ATOM 270 OE1 GLN A 19 -12.249 14.595 7.086 1.00 0.00 O ATOM 271 NE2 GLN A 19 -10.466 15.387 8.169 1.00 0.00 N ATOM 0 H GLN A 19 -8.713 15.177 4.007 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.300 12.434 4.173 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.995 14.934 4.489 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.583 13.324 4.855 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.836 13.041 6.560 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.161 14.608 6.161 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.450 15.448 8.230 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.047 15.861 8.860 1.00 0.00 H new ATOM 280 N SER A 20 -10.680 14.028 1.652 1.00 0.00 N ATOM 281 CA SER A 20 -11.384 13.839 0.394 1.00 0.00 C ATOM 282 C SER A 20 -10.636 12.868 -0.532 1.00 0.00 C ATOM 283 O SER A 20 -11.245 11.979 -1.132 1.00 0.00 O ATOM 284 CB SER A 20 -11.581 15.184 -0.300 1.00 0.00 C ATOM 285 OG SER A 20 -12.394 16.041 0.487 1.00 0.00 O ATOM 0 H SER A 20 -10.365 14.984 1.820 1.00 0.00 H new ATOM 0 HA SER A 20 -12.357 13.401 0.616 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.613 15.653 -0.476 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.043 15.031 -1.275 1.00 0.00 H new ATOM 0 HG SER A 20 -12.507 16.898 0.026 1.00 0.00 H new ATOM 291 N CYS A 21 -9.317 13.026 -0.637 1.00 0.00 N ATOM 292 CA CYS A 21 -8.532 12.151 -1.493 1.00 0.00 C ATOM 293 C CYS A 21 -8.390 10.759 -0.888 1.00 0.00 C ATOM 294 O CYS A 21 -8.358 9.766 -1.613 1.00 0.00 O ATOM 295 CB CYS A 21 -7.166 12.750 -1.800 1.00 0.00 C ATOM 296 SG CYS A 21 -6.112 12.997 -0.361 1.00 0.00 S ATOM 0 H CYS A 21 -8.780 13.741 -0.147 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.073 12.053 -2.434 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.649 12.099 -2.505 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.309 13.709 -2.298 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.774 12.701 0.718 1.00 0.00 H new ATOM 302 N VAL A 22 -8.319 10.688 0.446 1.00 0.00 N ATOM 303 CA VAL A 22 -8.247 9.405 1.134 1.00 0.00 C ATOM 304 C VAL A 22 -9.512 8.624 0.858 1.00 0.00 C ATOM 305 O VAL A 22 -9.474 7.437 0.561 1.00 0.00 O ATOM 306 CB VAL A 22 -8.049 9.568 2.666 1.00 0.00 C ATOM 307 CG1 VAL A 22 -8.193 8.229 3.381 1.00 0.00 C ATOM 308 CG2 VAL A 22 -6.685 10.173 2.961 1.00 0.00 C ATOM 0 H VAL A 22 -8.310 11.501 1.062 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.378 8.868 0.754 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.823 10.240 3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.050 8.371 4.452 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.189 7.824 3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.444 7.533 3.004 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.560 10.281 4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.905 9.520 2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.611 11.152 2.487 1.00 0.00 H new ATOM 318 N LYS A 23 -10.629 9.320 0.932 1.00 0.00 N ATOM 319 CA LYS A 23 -11.925 8.736 0.644 1.00 0.00 C ATOM 320 C LYS A 23 -11.962 8.233 -0.794 1.00 0.00 C ATOM 321 O LYS A 23 -12.426 7.118 -1.070 1.00 0.00 O ATOM 322 CB LYS A 23 -13.022 9.787 0.864 1.00 0.00 C ATOM 323 CG LYS A 23 -14.430 9.304 0.566 1.00 0.00 C ATOM 324 CD LYS A 23 -15.455 10.395 0.845 1.00 0.00 C ATOM 325 CE LYS A 23 -16.861 9.960 0.459 1.00 0.00 C ATOM 326 NZ LYS A 23 -17.311 8.775 1.227 1.00 0.00 N ATOM 0 H LYS A 23 -10.665 10.305 1.193 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.097 7.893 1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.980 10.126 1.899 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.809 10.652 0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.498 8.995 -0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.653 8.427 1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.432 10.653 1.904 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.188 11.295 0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.554 10.785 0.627 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.889 9.732 -0.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.317 8.596 1.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.751 7.945 0.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -17.182 8.951 2.244 1.00 0.00 H new ATOM 340 N SER A 24 -11.449 9.061 -1.693 1.00 0.00 N ATOM 341 CA SER A 24 -11.431 8.764 -3.111 1.00 0.00 C ATOM 342 C SER A 24 -10.609 7.501 -3.413 1.00 0.00 C ATOM 343 O SER A 24 -11.086 6.583 -4.089 1.00 0.00 O ATOM 344 CB SER A 24 -10.840 9.966 -3.866 1.00 0.00 C ATOM 345 OG SER A 24 -10.855 9.765 -5.268 1.00 0.00 O ATOM 0 H SER A 24 -11.033 9.961 -1.454 1.00 0.00 H new ATOM 0 HA SER A 24 -12.454 8.578 -3.439 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.408 10.864 -3.621 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.816 10.136 -3.534 1.00 0.00 H new ATOM 0 HG SER A 24 -10.950 10.629 -5.721 1.00 0.00 H new ATOM 351 N ILE A 25 -9.393 7.444 -2.883 1.00 0.00 N ATOM 352 CA ILE A 25 -8.508 6.318 -3.139 1.00 0.00 C ATOM 353 C ILE A 25 -8.974 5.052 -2.420 1.00 0.00 C ATOM 354 O ILE A 25 -8.887 3.954 -2.970 1.00 0.00 O ATOM 355 CB ILE A 25 -7.028 6.643 -2.764 1.00 0.00 C ATOM 356 CG1 ILE A 25 -6.094 5.513 -3.210 1.00 0.00 C ATOM 357 CG2 ILE A 25 -6.876 6.906 -1.270 1.00 0.00 C ATOM 358 CD1 ILE A 25 -4.626 5.826 -3.016 1.00 0.00 C ATOM 0 H ILE A 25 -9.000 8.163 -2.275 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.550 6.132 -4.212 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.747 7.554 -3.293 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.340 4.609 -2.654 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.275 5.298 -4.263 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.833 7.129 -1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.498 7.754 -0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.188 6.023 -0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.026 4.981 -3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.363 6.712 -3.595 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.430 6.011 -1.960 1.00 0.00 H new ATOM 370 N GLU A 26 -9.505 5.215 -1.210 1.00 0.00 N ATOM 371 CA GLU A 26 -9.931 4.082 -0.400 1.00 0.00 C ATOM 372 C GLU A 26 -11.039 3.304 -1.102 1.00 0.00 C ATOM 373 O GLU A 26 -11.014 2.069 -1.149 1.00 0.00 O ATOM 374 CB GLU A 26 -10.380 4.570 0.993 1.00 0.00 C ATOM 375 CG GLU A 26 -10.679 3.466 2.006 1.00 0.00 C ATOM 376 CD GLU A 26 -12.059 2.867 1.850 1.00 0.00 C ATOM 377 OE1 GLU A 26 -12.991 3.600 1.454 1.00 0.00 O ATOM 378 OE2 GLU A 26 -12.223 1.669 2.133 1.00 0.00 O ATOM 0 H GLU A 26 -9.650 6.124 -0.770 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.088 3.403 -0.268 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.602 5.215 1.402 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.273 5.183 0.875 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.934 2.677 1.903 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.578 3.870 3.013 1.00 0.00 H new ATOM 385 N ASP A 27 -11.999 4.020 -1.662 1.00 0.00 N ATOM 386 CA ASP A 27 -13.086 3.369 -2.371 1.00 0.00 C ATOM 387 C ASP A 27 -12.581 2.638 -3.603 1.00 0.00 C ATOM 388 O ASP A 27 -12.906 1.479 -3.820 1.00 0.00 O ATOM 389 CB ASP A 27 -14.166 4.362 -2.776 1.00 0.00 C ATOM 390 CG ASP A 27 -15.307 3.683 -3.509 1.00 0.00 C ATOM 391 OD1 ASP A 27 -16.103 2.975 -2.859 1.00 0.00 O ATOM 392 OD2 ASP A 27 -15.407 3.844 -4.740 1.00 0.00 O ATOM 0 H ASP A 27 -12.048 5.039 -1.640 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.521 2.644 -1.682 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.551 4.863 -1.888 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.732 5.132 -3.413 1.00 0.00 H new ATOM 397 N ARG A 28 -11.755 3.312 -4.389 1.00 0.00 N ATOM 398 CA ARG A 28 -11.263 2.740 -5.635 1.00 0.00 C ATOM 399 C ARG A 28 -10.385 1.505 -5.391 1.00 0.00 C ATOM 400 O ARG A 28 -10.516 0.484 -6.084 1.00 0.00 O ATOM 401 CB ARG A 28 -10.479 3.784 -6.431 1.00 0.00 C ATOM 402 CG ARG A 28 -11.288 5.007 -6.855 1.00 0.00 C ATOM 403 CD ARG A 28 -12.547 4.630 -7.624 1.00 0.00 C ATOM 404 NE ARG A 28 -12.257 3.816 -8.808 1.00 0.00 N ATOM 405 CZ ARG A 28 -13.178 3.428 -9.694 1.00 0.00 C ATOM 406 NH1 ARG A 28 -14.433 3.850 -9.583 1.00 0.00 N ATOM 407 NH2 ARG A 28 -12.839 2.628 -10.695 1.00 0.00 N ATOM 0 H ARG A 28 -11.412 4.251 -4.188 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.133 2.425 -6.210 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.632 4.117 -5.831 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.071 3.309 -7.323 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.564 5.582 -5.971 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.667 5.654 -7.475 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.221 4.082 -6.966 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -13.068 5.537 -7.929 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.291 3.528 -8.965 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.696 4.473 -8.819 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.133 3.551 -10.262 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.875 2.309 -10.789 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -13.542 2.332 -11.372 1.00 0.00 H new ATOM 421 N ILE A 29 -9.514 1.581 -4.397 1.00 0.00 N ATOM 422 CA ILE A 29 -8.624 0.474 -4.111 1.00 0.00 C ATOM 423 C ILE A 29 -9.395 -0.713 -3.542 1.00 0.00 C ATOM 424 O ILE A 29 -9.074 -1.858 -3.828 1.00 0.00 O ATOM 425 CB ILE A 29 -7.446 0.876 -3.178 1.00 0.00 C ATOM 426 CG1 ILE A 29 -6.383 -0.225 -3.165 1.00 0.00 C ATOM 427 CG2 ILE A 29 -7.933 1.167 -1.763 1.00 0.00 C ATOM 428 CD1 ILE A 29 -5.093 0.184 -2.494 1.00 0.00 C ATOM 0 H ILE A 29 -9.407 2.388 -3.783 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.180 0.175 -5.061 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.002 1.791 -3.570 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.786 -1.100 -2.655 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.170 -0.524 -4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.085 1.445 -1.136 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.651 1.987 -1.787 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.411 0.278 -1.353 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.388 -0.647 -2.523 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.666 1.040 -3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.292 0.454 -1.457 1.00 0.00 H new ATOM 440 N SER A 30 -10.429 -0.433 -2.752 1.00 0.00 N ATOM 441 CA SER A 30 -11.262 -1.491 -2.216 1.00 0.00 C ATOM 442 C SER A 30 -12.121 -2.113 -3.320 1.00 0.00 C ATOM 443 O SER A 30 -12.591 -3.250 -3.195 1.00 0.00 O ATOM 444 CB SER A 30 -12.108 -0.993 -1.033 1.00 0.00 C ATOM 445 OG SER A 30 -12.961 0.077 -1.406 1.00 0.00 O ATOM 0 H SER A 30 -10.703 0.509 -2.475 1.00 0.00 H new ATOM 0 HA SER A 30 -10.612 -2.275 -1.827 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.707 -1.816 -0.643 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.450 -0.668 -0.227 1.00 0.00 H new ATOM 0 HG SER A 30 -12.745 0.365 -2.317 1.00 0.00 H new ATOM 451 N ASN A 31 -12.331 -1.357 -4.403 1.00 0.00 N ATOM 452 CA ASN A 31 -13.041 -1.876 -5.568 1.00 0.00 C ATOM 453 C ASN A 31 -12.167 -2.896 -6.276 1.00 0.00 C ATOM 454 O ASN A 31 -12.664 -3.814 -6.934 1.00 0.00 O ATOM 455 CB ASN A 31 -13.426 -0.752 -6.542 1.00 0.00 C ATOM 456 CG ASN A 31 -14.522 0.150 -6.006 1.00 0.00 C ATOM 457 OD1 ASN A 31 -15.346 -0.263 -5.189 1.00 0.00 O ATOM 458 ND2 ASN A 31 -14.546 1.386 -6.471 1.00 0.00 N ATOM 0 H ASN A 31 -12.020 -0.390 -4.493 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.962 -2.348 -5.225 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.544 -0.151 -6.761 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -13.754 -1.192 -7.484 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.265 2.036 -6.154 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -13.846 1.690 -7.147 1.00 0.00 H new ATOM 465 N LEU A 32 -10.854 -2.728 -6.140 1.00 0.00 N ATOM 466 CA LEU A 32 -9.908 -3.684 -6.700 1.00 0.00 C ATOM 467 C LEU A 32 -9.884 -4.950 -5.847 1.00 0.00 C ATOM 468 O LEU A 32 -9.755 -4.884 -4.629 1.00 0.00 O ATOM 469 CB LEU A 32 -8.497 -3.083 -6.767 1.00 0.00 C ATOM 470 CG LEU A 32 -8.338 -1.822 -7.619 1.00 0.00 C ATOM 471 CD1 LEU A 32 -6.908 -1.312 -7.546 1.00 0.00 C ATOM 472 CD2 LEU A 32 -8.730 -2.096 -9.064 1.00 0.00 C ATOM 0 H LEU A 32 -10.425 -1.943 -5.650 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.229 -3.930 -7.712 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.174 -2.853 -5.752 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.819 -3.844 -7.152 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.003 -1.054 -7.223 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.810 -0.415 -8.157 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.658 -1.076 -6.512 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.229 -2.079 -7.917 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.610 -1.186 -9.652 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.091 -2.879 -9.472 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.770 -2.419 -9.104 1.00 0.00 H new ATOM 484 N LYS A 33 -10.034 -6.089 -6.483 1.00 0.00 N ATOM 485 CA LYS A 33 -10.011 -7.363 -5.779 1.00 0.00 C ATOM 486 C LYS A 33 -8.593 -7.886 -5.627 1.00 0.00 C ATOM 487 O LYS A 33 -7.713 -7.559 -6.425 1.00 0.00 O ATOM 488 CB LYS A 33 -10.901 -8.388 -6.471 1.00 0.00 C ATOM 489 CG LYS A 33 -12.374 -8.018 -6.443 1.00 0.00 C ATOM 490 CD LYS A 33 -13.222 -9.034 -7.180 1.00 0.00 C ATOM 491 CE LYS A 33 -13.196 -10.387 -6.489 1.00 0.00 C ATOM 492 NZ LYS A 33 -14.099 -11.359 -7.145 1.00 0.00 N ATOM 0 H LYS A 33 -10.174 -6.166 -7.490 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.409 -7.194 -4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.580 -8.498 -7.507 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.768 -9.358 -5.992 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -12.711 -7.945 -5.409 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.511 -7.035 -6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -14.250 -8.676 -7.242 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.859 -9.139 -8.202 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.178 -10.777 -6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.488 -10.267 -5.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.052 -12.269 -6.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.074 -10.999 -7.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.806 -11.493 -8.134 1.00 0.00 H new ATOM 506 N GLY A 34 -8.370 -8.688 -4.599 1.00 0.00 N ATOM 507 CA GLY A 34 -7.048 -9.221 -4.363 1.00 0.00 C ATOM 508 C GLY A 34 -6.284 -8.401 -3.356 1.00 0.00 C ATOM 509 O GLY A 34 -5.090 -8.612 -3.146 1.00 0.00 O ATOM 0 H GLY A 34 -9.079 -8.978 -3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.129 -10.249 -4.008 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.495 -9.250 -5.302 1.00 0.00 H new ATOM 513 N ILE A 35 -6.977 -7.458 -2.740 1.00 0.00 N ATOM 514 CA ILE A 35 -6.387 -6.580 -1.742 1.00 0.00 C ATOM 515 C ILE A 35 -6.047 -7.332 -0.452 1.00 0.00 C ATOM 516 O ILE A 35 -6.822 -8.172 0.018 1.00 0.00 O ATOM 517 CB ILE A 35 -7.323 -5.388 -1.418 1.00 0.00 C ATOM 518 CG1 ILE A 35 -8.719 -5.885 -1.010 1.00 0.00 C ATOM 519 CG2 ILE A 35 -7.406 -4.441 -2.604 1.00 0.00 C ATOM 520 CD1 ILE A 35 -9.637 -4.790 -0.513 1.00 0.00 C ATOM 0 H ILE A 35 -7.965 -7.279 -2.917 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.461 -6.197 -2.171 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.904 -4.840 -0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.184 -6.375 -1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.612 -6.639 -0.230 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.067 -3.609 -2.360 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.412 -4.058 -2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.799 -4.975 -3.469 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.603 -5.219 -0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.195 -4.314 0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.776 -4.047 -1.298 1.00 0.00 H new ATOM 532 N ILE A 36 -4.877 -7.032 0.105 1.00 0.00 N ATOM 533 CA ILE A 36 -4.433 -7.648 1.341 1.00 0.00 C ATOM 534 C ILE A 36 -4.756 -6.728 2.521 1.00 0.00 C ATOM 535 O ILE A 36 -5.670 -7.013 3.297 1.00 0.00 O ATOM 536 CB ILE A 36 -2.897 -7.983 1.317 1.00 0.00 C ATOM 537 CG1 ILE A 36 -2.624 -9.246 0.485 1.00 0.00 C ATOM 538 CG2 ILE A 36 -2.347 -8.177 2.731 1.00 0.00 C ATOM 539 CD1 ILE A 36 -2.750 -9.044 -1.008 1.00 0.00 C ATOM 0 H ILE A 36 -4.218 -6.360 -0.288 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.967 -8.592 1.453 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.390 -7.135 0.858 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.619 -9.604 0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.317 -10.028 0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.283 -8.407 2.679 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.493 -7.263 3.307 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.873 -8.999 3.216 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.542 -9.983 -1.521 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.762 -8.717 -1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.037 -8.286 -1.334 1.00 0.00 H new ATOM 551 N SER A 37 -4.019 -5.611 2.646 1.00 0.00 N ATOM 552 CA SER A 37 -4.267 -4.664 3.725 1.00 0.00 C ATOM 553 C SER A 37 -3.478 -3.368 3.512 1.00 0.00 C ATOM 554 O SER A 37 -2.398 -3.377 2.913 1.00 0.00 O ATOM 555 CB SER A 37 -3.900 -5.295 5.079 1.00 0.00 C ATOM 556 OG SER A 37 -4.237 -4.439 6.155 1.00 0.00 O ATOM 0 H SER A 37 -3.258 -5.352 2.018 1.00 0.00 H new ATOM 0 HA SER A 37 -5.329 -4.418 3.724 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.420 -6.246 5.192 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.832 -5.511 5.104 1.00 0.00 H new ATOM 0 HG SER A 37 -3.994 -4.867 7.002 1.00 0.00 H new ATOM 562 N MET A 38 -4.023 -2.262 3.994 1.00 0.00 N ATOM 563 CA MET A 38 -3.353 -0.975 3.917 1.00 0.00 C ATOM 564 C MET A 38 -3.827 -0.079 5.045 1.00 0.00 C ATOM 565 O MET A 38 -4.889 -0.312 5.626 1.00 0.00 O ATOM 566 CB MET A 38 -3.624 -0.282 2.576 1.00 0.00 C ATOM 567 CG MET A 38 -5.073 0.146 2.382 1.00 0.00 C ATOM 568 SD MET A 38 -5.347 0.985 0.810 1.00 0.00 S ATOM 569 CE MET A 38 -4.442 2.509 1.068 1.00 0.00 C ATOM 0 H MET A 38 -4.937 -2.232 4.447 1.00 0.00 H new ATOM 0 HA MET A 38 -2.281 -1.152 4.005 1.00 0.00 H new ATOM 0 HB2 MET A 38 -2.983 0.596 2.496 1.00 0.00 H new ATOM 0 HB3 MET A 38 -3.344 -0.956 1.767 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.717 -0.732 2.438 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.364 0.808 3.198 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.756 3.248 0.331 1.00 0.00 H new ATOM 0 HE2 MET A 38 -4.644 2.887 2.070 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.374 2.321 0.960 1.00 0.00 H new ATOM 579 N LYS A 39 -3.042 0.924 5.359 1.00 0.00 N ATOM 580 CA LYS A 39 -3.406 1.885 6.377 1.00 0.00 C ATOM 581 C LYS A 39 -2.994 3.281 5.975 1.00 0.00 C ATOM 582 O LYS A 39 -1.826 3.534 5.706 1.00 0.00 O ATOM 583 CB LYS A 39 -2.767 1.540 7.725 1.00 0.00 C ATOM 584 CG LYS A 39 -2.992 2.616 8.781 1.00 0.00 C ATOM 585 CD LYS A 39 -2.387 2.246 10.119 1.00 0.00 C ATOM 586 CE LYS A 39 -2.405 3.434 11.072 1.00 0.00 C ATOM 587 NZ LYS A 39 -3.780 3.936 11.320 1.00 0.00 N ATOM 0 H LYS A 39 -2.138 1.098 4.920 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.490 1.845 6.480 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.175 0.595 8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.696 1.392 7.586 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.559 3.555 8.437 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.062 2.784 8.903 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.942 1.416 10.556 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.362 1.904 9.977 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.950 3.144 12.019 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.796 4.238 10.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.757 4.652 12.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.156 4.362 10.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.391 3.146 11.611 1.00 0.00 H new ATOM 601 N VAL A 40 -3.943 4.182 5.939 1.00 0.00 N ATOM 602 CA VAL A 40 -3.647 5.568 5.670 1.00 0.00 C ATOM 603 C VAL A 40 -3.439 6.279 6.994 1.00 0.00 C ATOM 604 O VAL A 40 -4.340 6.308 7.837 1.00 0.00 O ATOM 605 CB VAL A 40 -4.787 6.259 4.885 1.00 0.00 C ATOM 606 CG1 VAL A 40 -4.456 7.724 4.635 1.00 0.00 C ATOM 607 CG2 VAL A 40 -5.049 5.538 3.570 1.00 0.00 C ATOM 0 H VAL A 40 -4.931 3.980 6.093 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.749 5.619 5.054 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.694 6.210 5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.270 8.192 4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.325 8.235 5.589 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.536 7.795 4.055 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.854 6.040 3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.145 5.551 2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.336 4.506 3.772 1.00 0.00 H new ATOM 617 N SER A 41 -2.263 6.826 7.191 1.00 0.00 N ATOM 618 CA SER A 41 -1.951 7.483 8.433 1.00 0.00 C ATOM 619 C SER A 41 -1.860 8.990 8.248 1.00 0.00 C ATOM 620 O SER A 41 -0.947 9.496 7.592 1.00 0.00 O ATOM 621 CB SER A 41 -0.643 6.936 8.992 1.00 0.00 C ATOM 622 OG SER A 41 -0.730 5.538 9.220 1.00 0.00 O ATOM 0 H SER A 41 -1.508 6.828 6.505 1.00 0.00 H new ATOM 0 HA SER A 41 -2.755 7.282 9.141 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.169 7.144 8.295 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.401 7.445 9.925 1.00 0.00 H new ATOM 0 HG SER A 41 0.122 5.211 9.577 1.00 0.00 H new ATOM 628 N LEU A 42 -2.808 9.700 8.834 1.00 0.00 N ATOM 629 CA LEU A 42 -2.841 11.150 8.763 1.00 0.00 C ATOM 630 C LEU A 42 -1.655 11.754 9.500 1.00 0.00 C ATOM 631 O LEU A 42 -1.079 12.745 9.059 1.00 0.00 O ATOM 632 CB LEU A 42 -4.153 11.690 9.332 1.00 0.00 C ATOM 633 CG LEU A 42 -5.416 11.320 8.550 1.00 0.00 C ATOM 634 CD1 LEU A 42 -6.650 11.829 9.264 1.00 0.00 C ATOM 635 CD2 LEU A 42 -5.356 11.872 7.133 1.00 0.00 C ATOM 0 H LEU A 42 -3.573 9.290 9.370 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.776 11.438 7.714 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.261 11.328 10.354 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.085 12.777 9.385 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.473 10.233 8.491 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.538 11.557 8.694 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.706 11.383 10.257 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.596 12.914 9.356 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.264 11.597 6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.271 12.958 7.169 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.490 11.457 6.617 1.00 0.00 H new ATOM 647 N GLU A 43 -1.290 11.139 10.620 1.00 0.00 N ATOM 648 CA GLU A 43 -0.177 11.617 11.432 1.00 0.00 C ATOM 649 C GLU A 43 1.127 11.571 10.643 1.00 0.00 C ATOM 650 O GLU A 43 1.937 12.493 10.706 1.00 0.00 O ATOM 651 CB GLU A 43 -0.039 10.760 12.690 1.00 0.00 C ATOM 652 CG GLU A 43 -1.180 10.922 13.679 1.00 0.00 C ATOM 653 CD GLU A 43 -1.341 12.346 14.147 1.00 0.00 C ATOM 654 OE1 GLU A 43 -0.353 12.932 14.635 1.00 0.00 O ATOM 655 OE2 GLU A 43 -2.453 12.894 14.018 1.00 0.00 O ATOM 0 H GLU A 43 -1.750 10.306 10.987 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.382 12.650 11.714 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.028 9.712 12.397 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.897 11.012 13.188 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.108 10.588 13.215 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.004 10.278 14.540 1.00 0.00 H new ATOM 662 N GLN A 44 1.316 10.493 9.898 1.00 0.00 N ATOM 663 CA GLN A 44 2.514 10.323 9.086 1.00 0.00 C ATOM 664 C GLN A 44 2.436 11.162 7.819 1.00 0.00 C ATOM 665 O GLN A 44 3.455 11.575 7.269 1.00 0.00 O ATOM 666 CB GLN A 44 2.692 8.859 8.697 1.00 0.00 C ATOM 667 CG GLN A 44 2.992 7.936 9.859 1.00 0.00 C ATOM 668 CD GLN A 44 3.019 6.479 9.444 1.00 0.00 C ATOM 669 OE1 GLN A 44 2.338 6.075 8.499 1.00 0.00 O ATOM 670 NE2 GLN A 44 3.793 5.685 10.146 1.00 0.00 N ATOM 0 H GLN A 44 0.654 9.720 9.838 1.00 0.00 H new ATOM 0 HA GLN A 44 3.365 10.651 9.683 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.785 8.515 8.200 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.501 8.784 7.971 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.954 8.205 10.295 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.240 8.076 10.635 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.340 6.060 10.921 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.847 4.693 9.917 1.00 0.00 H new ATOM 679 N GLY A 45 1.215 11.410 7.361 1.00 0.00 N ATOM 680 CA GLY A 45 1.022 12.119 6.115 1.00 0.00 C ATOM 681 C GLY A 45 1.245 11.191 4.941 1.00 0.00 C ATOM 682 O GLY A 45 1.408 11.626 3.800 1.00 0.00 O ATOM 0 H GLY A 45 0.355 11.131 7.833 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.013 12.530 6.075 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.712 12.961 6.058 1.00 0.00 H new ATOM 686 N SER A 46 1.235 9.903 5.234 1.00 0.00 N ATOM 687 CA SER A 46 1.490 8.881 4.252 1.00 0.00 C ATOM 688 C SER A 46 0.708 7.625 4.595 1.00 0.00 C ATOM 689 O SER A 46 0.210 7.484 5.714 1.00 0.00 O ATOM 690 CB SER A 46 2.987 8.572 4.207 1.00 0.00 C ATOM 691 OG SER A 46 3.443 8.079 5.462 1.00 0.00 O ATOM 0 H SER A 46 1.048 9.541 6.169 1.00 0.00 H new ATOM 0 HA SER A 46 1.170 9.237 3.273 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.187 7.836 3.428 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.540 9.473 3.943 1.00 0.00 H new ATOM 0 HG SER A 46 4.402 7.887 5.409 1.00 0.00 H new ATOM 697 N ALA A 47 0.605 6.719 3.653 1.00 0.00 N ATOM 698 CA ALA A 47 -0.128 5.494 3.874 1.00 0.00 C ATOM 699 C ALA A 47 0.776 4.278 3.742 1.00 0.00 C ATOM 700 O ALA A 47 1.634 4.226 2.863 1.00 0.00 O ATOM 701 CB ALA A 47 -1.290 5.396 2.897 1.00 0.00 C ATOM 0 H ALA A 47 1.019 6.806 2.725 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.518 5.512 4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.836 4.469 3.072 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.959 6.244 3.042 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.909 5.405 1.876 1.00 0.00 H new ATOM 707 N THR A 48 0.580 3.315 4.626 1.00 0.00 N ATOM 708 CA THR A 48 1.319 2.076 4.599 1.00 0.00 C ATOM 709 C THR A 48 0.564 1.094 3.714 1.00 0.00 C ATOM 710 O THR A 48 -0.594 0.766 3.976 1.00 0.00 O ATOM 711 CB THR A 48 1.458 1.497 6.025 1.00 0.00 C ATOM 712 OG1 THR A 48 2.105 2.467 6.871 1.00 0.00 O ATOM 713 CG2 THR A 48 2.279 0.212 6.014 1.00 0.00 C ATOM 0 H THR A 48 -0.100 3.376 5.384 1.00 0.00 H new ATOM 0 HA THR A 48 2.320 2.252 4.206 1.00 0.00 H new ATOM 0 HB THR A 48 0.462 1.269 6.405 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.193 2.104 7.777 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.362 -0.175 7.029 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.788 -0.528 5.382 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.275 0.420 5.622 1.00 0.00 H new ATOM 721 N VAL A 49 1.212 0.653 2.670 1.00 0.00 N ATOM 722 CA VAL A 49 0.591 -0.197 1.682 1.00 0.00 C ATOM 723 C VAL A 49 1.224 -1.587 1.662 1.00 0.00 C ATOM 724 O VAL A 49 2.441 -1.712 1.527 1.00 0.00 O ATOM 725 CB VAL A 49 0.743 0.452 0.278 1.00 0.00 C ATOM 726 CG1 VAL A 49 0.142 -0.414 -0.802 1.00 0.00 C ATOM 727 CG2 VAL A 49 0.118 1.841 0.257 1.00 0.00 C ATOM 0 H VAL A 49 2.189 0.872 2.477 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.462 -0.305 1.941 1.00 0.00 H new ATOM 0 HB VAL A 49 1.810 0.546 0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.267 0.072 -1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.644 -1.381 -0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.920 -0.559 -0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.235 2.278 -0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.942 1.766 0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.613 2.474 0.993 1.00 0.00 H new ATOM 737 N LYS A 50 0.398 -2.628 1.833 1.00 0.00 N ATOM 738 CA LYS A 50 0.874 -4.002 1.719 1.00 0.00 C ATOM 739 C LYS A 50 0.005 -4.768 0.729 1.00 0.00 C ATOM 740 O LYS A 50 -1.131 -5.157 1.050 1.00 0.00 O ATOM 741 CB LYS A 50 0.840 -4.733 3.067 1.00 0.00 C ATOM 742 CG LYS A 50 1.660 -4.092 4.173 1.00 0.00 C ATOM 743 CD LYS A 50 1.769 -5.022 5.375 1.00 0.00 C ATOM 744 CE LYS A 50 0.414 -5.296 6.014 1.00 0.00 C ATOM 745 NZ LYS A 50 0.526 -6.223 7.171 1.00 0.00 N ATOM 0 H LYS A 50 -0.595 -2.540 2.049 1.00 0.00 H new ATOM 0 HA LYS A 50 1.907 -3.960 1.373 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.196 -4.802 3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.195 -5.753 2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.656 -3.853 3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.199 -3.152 4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.219 -5.964 5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.435 -4.580 6.115 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.029 -4.356 6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.259 -5.723 5.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.417 -6.385 7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.926 -7.129 6.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.148 -5.805 7.892 1.00 0.00 H new ATOM 759 N TYR A 51 0.529 -4.982 -0.462 1.00 0.00 N ATOM 760 CA TYR A 51 -0.185 -5.716 -1.497 1.00 0.00 C ATOM 761 C TYR A 51 0.746 -6.559 -2.318 1.00 0.00 C ATOM 762 O TYR A 51 1.954 -6.317 -2.352 1.00 0.00 O ATOM 763 CB TYR A 51 -0.984 -4.779 -2.420 1.00 0.00 C ATOM 764 CG TYR A 51 -2.099 -4.054 -1.722 1.00 0.00 C ATOM 765 CD1 TYR A 51 -3.221 -4.735 -1.323 1.00 0.00 C ATOM 766 CD2 TYR A 51 -2.021 -2.705 -1.444 1.00 0.00 C ATOM 767 CE1 TYR A 51 -4.243 -4.100 -0.667 1.00 0.00 C ATOM 768 CE2 TYR A 51 -3.045 -2.056 -0.781 1.00 0.00 C ATOM 769 CZ TYR A 51 -4.154 -2.767 -0.396 1.00 0.00 C ATOM 770 OH TYR A 51 -5.179 -2.144 0.264 1.00 0.00 O ATOM 0 H TYR A 51 1.454 -4.656 -0.742 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.887 -6.370 -0.980 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.304 -4.048 -2.858 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.399 -5.361 -3.243 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.300 -5.792 -1.530 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.147 -2.148 -1.749 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.119 -4.655 -0.365 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.973 -1.000 -0.568 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.129 -1.178 0.108 1.00 0.00 H new ATOM 780 N VAL A 52 0.191 -7.562 -2.964 1.00 0.00 N ATOM 781 CA VAL A 52 0.946 -8.363 -3.887 1.00 0.00 C ATOM 782 C VAL A 52 0.972 -7.617 -5.214 1.00 0.00 C ATOM 783 O VAL A 52 -0.071 -7.446 -5.850 1.00 0.00 O ATOM 784 CB VAL A 52 0.307 -9.759 -4.080 1.00 0.00 C ATOM 785 CG1 VAL A 52 1.129 -10.603 -5.038 1.00 0.00 C ATOM 786 CG2 VAL A 52 0.157 -10.467 -2.743 1.00 0.00 C ATOM 0 H VAL A 52 -0.786 -7.838 -2.862 1.00 0.00 H new ATOM 0 HA VAL A 52 1.953 -8.522 -3.500 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.684 -9.621 -4.512 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.660 -11.579 -5.157 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.183 -10.106 -6.006 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.135 -10.731 -4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.294 -11.447 -2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.138 -10.588 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.481 -9.874 -2.087 1.00 0.00 H new ATOM 796 N PRO A 53 2.158 -7.166 -5.647 1.00 0.00 N ATOM 797 CA PRO A 53 2.303 -6.314 -6.836 1.00 0.00 C ATOM 798 C PRO A 53 1.827 -6.973 -8.127 1.00 0.00 C ATOM 799 O PRO A 53 1.420 -6.283 -9.068 1.00 0.00 O ATOM 800 CB PRO A 53 3.806 -6.029 -6.892 1.00 0.00 C ATOM 801 CG PRO A 53 4.433 -7.115 -6.092 1.00 0.00 C ATOM 802 CD PRO A 53 3.455 -7.444 -5.012 1.00 0.00 C ATOM 0 HA PRO A 53 1.684 -5.420 -6.756 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.171 -6.034 -7.919 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.038 -5.048 -6.476 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.639 -7.988 -6.712 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.385 -6.791 -5.672 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.536 -8.484 -4.697 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.611 -6.830 -4.125 1.00 0.00 H new ATOM 810 N SER A 54 1.895 -8.292 -8.185 1.00 0.00 N ATOM 811 CA SER A 54 1.420 -9.010 -9.346 1.00 0.00 C ATOM 812 C SER A 54 -0.110 -8.949 -9.439 1.00 0.00 C ATOM 813 O SER A 54 -0.670 -8.791 -10.524 1.00 0.00 O ATOM 814 CB SER A 54 1.925 -10.459 -9.319 1.00 0.00 C ATOM 815 OG SER A 54 1.505 -11.129 -8.139 1.00 0.00 O ATOM 0 H SER A 54 2.273 -8.882 -7.444 1.00 0.00 H new ATOM 0 HA SER A 54 1.819 -8.531 -10.240 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.554 -10.992 -10.194 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.013 -10.468 -9.378 1.00 0.00 H new ATOM 0 HG SER A 54 1.839 -12.050 -8.149 1.00 0.00 H new ATOM 821 N VAL A 55 -0.776 -9.062 -8.289 1.00 0.00 N ATOM 822 CA VAL A 55 -2.233 -9.002 -8.238 1.00 0.00 C ATOM 823 C VAL A 55 -2.720 -7.561 -8.399 1.00 0.00 C ATOM 824 O VAL A 55 -3.582 -7.268 -9.233 1.00 0.00 O ATOM 825 CB VAL A 55 -2.775 -9.581 -6.906 1.00 0.00 C ATOM 826 CG1 VAL A 55 -4.290 -9.460 -6.835 1.00 0.00 C ATOM 827 CG2 VAL A 55 -2.345 -11.029 -6.737 1.00 0.00 C ATOM 0 H VAL A 55 -0.328 -9.195 -7.382 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.612 -9.607 -9.062 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.351 -8.998 -6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.644 -9.874 -5.891 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.575 -8.410 -6.901 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.738 -10.010 -7.663 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.735 -11.417 -5.796 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.734 -11.623 -7.564 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.257 -11.087 -6.730 1.00 0.00 H new ATOM 837 N VAL A 56 -2.151 -6.671 -7.600 1.00 0.00 N ATOM 838 CA VAL A 56 -2.490 -5.259 -7.645 1.00 0.00 C ATOM 839 C VAL A 56 -1.218 -4.446 -7.766 1.00 0.00 C ATOM 840 O VAL A 56 -0.320 -4.570 -6.935 1.00 0.00 O ATOM 841 CB VAL A 56 -3.258 -4.806 -6.369 1.00 0.00 C ATOM 842 CG1 VAL A 56 -3.591 -3.320 -6.432 1.00 0.00 C ATOM 843 CG2 VAL A 56 -4.525 -5.627 -6.172 1.00 0.00 C ATOM 0 H VAL A 56 -1.443 -6.907 -6.904 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.138 -5.098 -8.506 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.606 -4.975 -5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.127 -3.029 -5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.669 -2.743 -6.508 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.215 -3.124 -7.304 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.041 -5.289 -5.274 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.178 -5.501 -7.035 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.264 -6.680 -6.066 1.00 0.00 H new ATOM 853 N CYS A 57 -1.131 -3.626 -8.786 1.00 0.00 N ATOM 854 CA CYS A 57 0.048 -2.821 -8.976 1.00 0.00 C ATOM 855 C CYS A 57 -0.073 -1.497 -8.234 1.00 0.00 C ATOM 856 O CYS A 57 -1.158 -0.907 -8.153 1.00 0.00 O ATOM 857 CB CYS A 57 0.324 -2.602 -10.467 1.00 0.00 C ATOM 858 SG CYS A 57 -0.992 -1.761 -11.359 1.00 0.00 S ATOM 0 H CYS A 57 -1.857 -3.500 -9.491 1.00 0.00 H new ATOM 0 HA CYS A 57 0.899 -3.358 -8.557 1.00 0.00 H new ATOM 0 HB2 CYS A 57 1.242 -2.024 -10.572 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.501 -3.570 -10.936 1.00 0.00 H new ATOM 0 HG CYS A 57 -0.653 -1.627 -12.607 1.00 0.00 H new ATOM 864 N LEU A 58 1.044 -1.030 -7.712 1.00 0.00 N ATOM 865 CA LEU A 58 1.092 0.202 -6.944 1.00 0.00 C ATOM 866 C LEU A 58 0.832 1.412 -7.832 1.00 0.00 C ATOM 867 O LEU A 58 0.348 2.447 -7.364 1.00 0.00 O ATOM 868 CB LEU A 58 2.435 0.343 -6.202 1.00 0.00 C ATOM 869 CG LEU A 58 2.654 -0.608 -5.003 1.00 0.00 C ATOM 870 CD1 LEU A 58 2.799 -2.057 -5.454 1.00 0.00 C ATOM 871 CD2 LEU A 58 3.867 -0.182 -4.196 1.00 0.00 C ATOM 0 H LEU A 58 1.947 -1.494 -7.808 1.00 0.00 H new ATOM 0 HA LEU A 58 0.300 0.157 -6.197 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.241 0.183 -6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.524 1.369 -5.846 1.00 0.00 H new ATOM 0 HG LEU A 58 1.770 -0.544 -4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.951 -2.695 -4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.895 -2.367 -5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.655 -2.146 -6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.004 -0.864 -3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.753 -0.205 -4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.717 0.830 -3.820 1.00 0.00 H new ATOM 883 N GLN A 59 1.151 1.278 -9.116 1.00 0.00 N ATOM 884 CA GLN A 59 0.935 2.355 -10.068 1.00 0.00 C ATOM 885 C GLN A 59 -0.546 2.725 -10.145 1.00 0.00 C ATOM 886 O GLN A 59 -0.887 3.898 -10.201 1.00 0.00 O ATOM 887 CB GLN A 59 1.469 1.981 -11.454 1.00 0.00 C ATOM 888 CG GLN A 59 1.300 3.084 -12.497 1.00 0.00 C ATOM 889 CD GLN A 59 2.037 4.364 -12.132 1.00 0.00 C ATOM 890 OE1 GLN A 59 3.091 4.333 -11.495 1.00 0.00 O ATOM 891 NE2 GLN A 59 1.486 5.494 -12.531 1.00 0.00 N ATOM 0 H GLN A 59 1.559 0.434 -9.518 1.00 0.00 H new ATOM 0 HA GLN A 59 1.488 3.226 -9.716 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.527 1.731 -11.371 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.956 1.084 -11.801 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.662 2.725 -13.460 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.239 3.304 -12.617 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.612 5.478 -13.057 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.934 6.384 -12.314 1.00 0.00 H new ATOM 900 N GLN A 60 -1.423 1.721 -10.136 1.00 0.00 N ATOM 901 CA GLN A 60 -2.863 1.977 -10.155 1.00 0.00 C ATOM 902 C GLN A 60 -3.311 2.705 -8.905 1.00 0.00 C ATOM 903 O GLN A 60 -4.159 3.585 -8.970 1.00 0.00 O ATOM 904 CB GLN A 60 -3.672 0.697 -10.353 1.00 0.00 C ATOM 905 CG GLN A 60 -3.546 0.115 -11.745 1.00 0.00 C ATOM 906 CD GLN A 60 -4.068 1.058 -12.810 1.00 0.00 C ATOM 907 OE1 GLN A 60 -5.012 1.818 -12.579 1.00 0.00 O ATOM 908 NE2 GLN A 60 -3.454 1.028 -13.974 1.00 0.00 N ATOM 0 H GLN A 60 -1.166 0.734 -10.116 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.055 2.621 -11.013 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.346 -0.046 -9.626 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.722 0.904 -10.148 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.500 -0.115 -11.947 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.095 -0.826 -11.795 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.677 0.384 -14.124 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.755 1.648 -14.726 1.00 0.00 H new ATOM 917 N VAL A 61 -2.731 2.343 -7.772 1.00 0.00 N ATOM 918 CA VAL A 61 -3.061 2.990 -6.507 1.00 0.00 C ATOM 919 C VAL A 61 -2.720 4.484 -6.590 1.00 0.00 C ATOM 920 O VAL A 61 -3.531 5.352 -6.236 1.00 0.00 O ATOM 921 CB VAL A 61 -2.279 2.335 -5.339 1.00 0.00 C ATOM 922 CG1 VAL A 61 -2.480 3.097 -4.039 1.00 0.00 C ATOM 923 CG2 VAL A 61 -2.681 0.876 -5.179 1.00 0.00 C ATOM 0 H VAL A 61 -2.030 1.606 -7.700 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.128 2.870 -6.319 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.217 2.376 -5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.918 2.611 -3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.127 4.121 -4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.539 3.106 -3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.122 0.433 -4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.749 0.814 -4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.461 0.335 -6.099 1.00 0.00 H new ATOM 933 N CYS A 62 -1.528 4.768 -7.097 1.00 0.00 N ATOM 934 CA CYS A 62 -1.082 6.131 -7.309 1.00 0.00 C ATOM 935 C CYS A 62 -1.995 6.822 -8.323 1.00 0.00 C ATOM 936 O CYS A 62 -2.327 7.994 -8.182 1.00 0.00 O ATOM 937 CB CYS A 62 0.371 6.145 -7.796 1.00 0.00 C ATOM 938 SG CYS A 62 1.063 7.798 -8.003 1.00 0.00 S ATOM 0 H CYS A 62 -0.847 4.059 -7.371 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.131 6.673 -6.365 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.986 5.592 -7.086 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.429 5.617 -8.748 1.00 0.00 H new ATOM 0 HG CYS A 62 2.293 7.705 -8.415 1.00 0.00 H new ATOM 944 N HIS A 63 -2.380 6.070 -9.342 1.00 0.00 N ATOM 945 CA HIS A 63 -3.256 6.546 -10.413 1.00 0.00 C ATOM 946 C HIS A 63 -4.600 7.005 -9.855 1.00 0.00 C ATOM 947 O HIS A 63 -5.104 8.061 -10.218 1.00 0.00 O ATOM 948 CB HIS A 63 -3.485 5.405 -11.424 1.00 0.00 C ATOM 949 CG HIS A 63 -4.391 5.745 -12.573 1.00 0.00 C ATOM 950 ND1 HIS A 63 -3.953 6.365 -13.715 1.00 0.00 N ATOM 951 CD2 HIS A 63 -5.723 5.553 -12.741 1.00 0.00 C ATOM 952 CE1 HIS A 63 -4.972 6.542 -14.538 1.00 0.00 C ATOM 953 NE2 HIS A 63 -6.058 6.058 -13.971 1.00 0.00 N ATOM 0 H HIS A 63 -2.092 5.098 -9.454 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.778 7.394 -10.903 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.519 5.094 -11.823 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.902 4.549 -10.894 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.396 5.088 -12.036 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.923 7.006 -15.512 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -6.993 6.059 -14.379 1.00 0.00 H new ATOM 961 N GLN A 64 -5.161 6.205 -8.966 1.00 0.00 N ATOM 962 CA GLN A 64 -6.483 6.465 -8.414 1.00 0.00 C ATOM 963 C GLN A 64 -6.531 7.798 -7.671 1.00 0.00 C ATOM 964 O GLN A 64 -7.471 8.574 -7.838 1.00 0.00 O ATOM 965 CB GLN A 64 -6.867 5.329 -7.473 1.00 0.00 C ATOM 966 CG GLN A 64 -7.112 4.013 -8.188 1.00 0.00 C ATOM 967 CD GLN A 64 -7.286 2.850 -7.236 1.00 0.00 C ATOM 968 OE1 GLN A 64 -6.746 2.845 -6.135 1.00 0.00 O ATOM 969 NE2 GLN A 64 -8.030 1.853 -7.663 1.00 0.00 N ATOM 0 H GLN A 64 -4.717 5.360 -8.606 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.194 6.523 -9.239 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.074 5.193 -6.737 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -7.766 5.609 -6.925 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -8.003 4.103 -8.810 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.276 3.807 -8.856 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.461 1.897 -8.586 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.176 1.035 -7.071 1.00 0.00 H new ATOM 978 N ILE A 65 -5.517 8.071 -6.869 1.00 0.00 N ATOM 979 CA ILE A 65 -5.471 9.329 -6.138 1.00 0.00 C ATOM 980 C ILE A 65 -4.949 10.482 -7.014 1.00 0.00 C ATOM 981 O ILE A 65 -5.429 11.617 -6.916 1.00 0.00 O ATOM 982 CB ILE A 65 -4.646 9.216 -4.830 1.00 0.00 C ATOM 983 CG1 ILE A 65 -4.717 10.525 -4.035 1.00 0.00 C ATOM 984 CG2 ILE A 65 -3.204 8.826 -5.119 1.00 0.00 C ATOM 985 CD1 ILE A 65 -4.123 10.433 -2.648 1.00 0.00 C ATOM 0 H ILE A 65 -4.724 7.450 -6.707 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.499 9.559 -5.859 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.082 8.424 -4.222 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.197 11.305 -4.591 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.759 10.833 -3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.652 8.755 -4.182 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.183 7.862 -5.627 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.743 9.582 -5.755 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.211 11.398 -2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.658 9.677 -2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.071 10.157 -2.720 1.00 0.00 H new ATOM 997 N GLY A 66 -3.978 10.181 -7.872 1.00 0.00 N ATOM 998 CA GLY A 66 -3.405 11.193 -8.740 1.00 0.00 C ATOM 999 C GLY A 66 -4.414 11.775 -9.708 1.00 0.00 C ATOM 1000 O GLY A 66 -4.446 12.990 -9.920 1.00 0.00 O ATOM 0 H GLY A 66 -3.577 9.250 -7.981 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.989 11.995 -8.130 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.578 10.758 -9.302 1.00 0.00 H new ATOM 1004 N ASP A 67 -5.253 10.909 -10.278 1.00 0.00 N ATOM 1005 CA ASP A 67 -6.291 11.329 -11.227 1.00 0.00 C ATOM 1006 C ASP A 67 -7.310 12.230 -10.566 1.00 0.00 C ATOM 1007 O ASP A 67 -7.920 13.077 -11.223 1.00 0.00 O ATOM 1008 CB ASP A 67 -6.987 10.124 -11.868 1.00 0.00 C ATOM 1009 CG ASP A 67 -6.206 9.543 -13.032 1.00 0.00 C ATOM 1010 OD1 ASP A 67 -4.979 9.376 -12.915 1.00 0.00 O ATOM 1011 OD2 ASP A 67 -6.829 9.265 -14.086 1.00 0.00 O ATOM 0 H ASP A 67 -5.235 9.905 -10.099 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.793 11.894 -12.015 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.134 9.351 -11.113 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.976 10.424 -12.214 1.00 0.00 H new ATOM 1016 N MET A 68 -7.494 12.037 -9.267 1.00 0.00 N ATOM 1017 CA MET A 68 -8.411 12.849 -8.479 1.00 0.00 C ATOM 1018 C MET A 68 -7.978 14.317 -8.487 1.00 0.00 C ATOM 1019 O MET A 68 -8.807 15.219 -8.393 1.00 0.00 O ATOM 1020 CB MET A 68 -8.499 12.320 -7.041 1.00 0.00 C ATOM 1021 CG MET A 68 -9.506 13.054 -6.165 1.00 0.00 C ATOM 1022 SD MET A 68 -11.194 12.946 -6.786 1.00 0.00 S ATOM 1023 CE MET A 68 -12.068 13.912 -5.553 1.00 0.00 C ATOM 0 H MET A 68 -7.013 11.315 -8.731 1.00 0.00 H new ATOM 0 HA MET A 68 -9.401 12.783 -8.931 1.00 0.00 H new ATOM 0 HB2 MET A 68 -8.763 11.263 -7.070 1.00 0.00 H new ATOM 0 HB3 MET A 68 -7.514 12.390 -6.579 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.469 12.642 -5.156 1.00 0.00 H new ATOM 0 HG3 MET A 68 -9.218 14.103 -6.092 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.130 13.940 -5.798 1.00 0.00 H new ATOM 0 HE2 MET A 68 -11.934 13.457 -4.572 1.00 0.00 H new ATOM 0 HE3 MET A 68 -11.672 14.928 -5.539 1.00 0.00 H new ATOM 1033 N GLY A 69 -6.677 14.546 -8.608 1.00 0.00 N ATOM 1034 CA GLY A 69 -6.163 15.901 -8.629 1.00 0.00 C ATOM 1035 C GLY A 69 -5.219 16.178 -7.487 1.00 0.00 C ATOM 1036 O GLY A 69 -4.756 17.305 -7.312 1.00 0.00 O ATOM 0 H GLY A 69 -5.968 13.817 -8.692 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.647 16.076 -9.573 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.996 16.603 -8.586 1.00 0.00 H new ATOM 1040 N PHE A 70 -4.921 15.154 -6.718 1.00 0.00 N ATOM 1041 CA PHE A 70 -4.029 15.288 -5.586 1.00 0.00 C ATOM 1042 C PHE A 70 -2.738 14.543 -5.857 1.00 0.00 C ATOM 1043 O PHE A 70 -2.720 13.579 -6.628 1.00 0.00 O ATOM 1044 CB PHE A 70 -4.703 14.780 -4.315 1.00 0.00 C ATOM 1045 CG PHE A 70 -5.950 15.546 -3.970 1.00 0.00 C ATOM 1046 CD1 PHE A 70 -5.870 16.774 -3.338 1.00 0.00 C ATOM 1047 CD2 PHE A 70 -7.200 15.044 -4.291 1.00 0.00 C ATOM 1048 CE1 PHE A 70 -7.012 17.485 -3.029 1.00 0.00 C ATOM 1049 CE2 PHE A 70 -8.345 15.751 -3.986 1.00 0.00 C ATOM 1050 CZ PHE A 70 -8.251 16.972 -3.354 1.00 0.00 C ATOM 0 H PHE A 70 -5.286 14.212 -6.857 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.792 16.342 -5.439 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.952 13.726 -4.438 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.000 14.847 -3.485 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.903 17.181 -3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.280 14.087 -4.786 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.936 18.442 -2.533 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -9.314 15.348 -4.242 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.146 17.527 -3.113 1.00 0.00 H new ATOM 1060 N GLU A 71 -1.659 14.994 -5.257 1.00 0.00 N ATOM 1061 CA GLU A 71 -0.366 14.399 -5.506 1.00 0.00 C ATOM 1062 C GLU A 71 -0.020 13.343 -4.467 1.00 0.00 C ATOM 1063 O GLU A 71 -0.203 13.542 -3.264 1.00 0.00 O ATOM 1064 CB GLU A 71 0.729 15.465 -5.552 1.00 0.00 C ATOM 1065 CG GLU A 71 2.105 14.895 -5.858 1.00 0.00 C ATOM 1066 CD GLU A 71 3.188 15.942 -5.880 1.00 0.00 C ATOM 1067 OE1 GLU A 71 3.546 16.452 -4.806 1.00 0.00 O ATOM 1068 OE2 GLU A 71 3.705 16.246 -6.972 1.00 0.00 O ATOM 0 H GLU A 71 -1.651 15.769 -4.594 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.424 13.910 -6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.474 16.207 -6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.762 15.984 -4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.353 14.140 -5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.076 14.391 -6.824 1.00 0.00 H new ATOM 1075 N ALA A 72 0.472 12.224 -4.948 1.00 0.00 N ATOM 1076 CA ALA A 72 0.918 11.143 -4.108 1.00 0.00 C ATOM 1077 C ALA A 72 2.174 10.548 -4.709 1.00 0.00 C ATOM 1078 O ALA A 72 2.312 10.509 -5.935 1.00 0.00 O ATOM 1079 CB ALA A 72 -0.166 10.089 -3.983 1.00 0.00 C ATOM 0 H ALA A 72 0.574 12.040 -5.946 1.00 0.00 H new ATOM 0 HA ALA A 72 1.135 11.518 -3.108 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.186 9.279 -3.345 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.058 10.535 -3.544 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.406 9.695 -4.971 1.00 0.00 H new ATOM 1085 N SER A 73 3.089 10.097 -3.874 1.00 0.00 N ATOM 1086 CA SER A 73 4.336 9.548 -4.381 1.00 0.00 C ATOM 1087 C SER A 73 4.764 8.315 -3.592 1.00 0.00 C ATOM 1088 O SER A 73 4.655 8.276 -2.362 1.00 0.00 O ATOM 1089 CB SER A 73 5.437 10.614 -4.370 1.00 0.00 C ATOM 1090 OG SER A 73 6.643 10.119 -4.922 1.00 0.00 O ATOM 0 H SER A 73 2.998 10.098 -2.858 1.00 0.00 H new ATOM 0 HA SER A 73 4.169 9.235 -5.412 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.107 11.485 -4.936 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.613 10.946 -3.347 1.00 0.00 H new ATOM 0 HG SER A 73 7.325 10.823 -4.902 1.00 0.00 H new ATOM 1096 N ILE A 74 5.245 7.322 -4.320 1.00 0.00 N ATOM 1097 CA ILE A 74 5.672 6.048 -3.760 1.00 0.00 C ATOM 1098 C ILE A 74 7.061 6.138 -3.107 1.00 0.00 C ATOM 1099 O ILE A 74 7.985 6.761 -3.640 1.00 0.00 O ATOM 1100 CB ILE A 74 5.691 4.948 -4.866 1.00 0.00 C ATOM 1101 CG1 ILE A 74 6.136 3.598 -4.297 1.00 0.00 C ATOM 1102 CG2 ILE A 74 6.591 5.360 -6.027 1.00 0.00 C ATOM 1103 CD1 ILE A 74 6.032 2.454 -5.283 1.00 0.00 C ATOM 0 H ILE A 74 5.352 7.378 -5.333 1.00 0.00 H new ATOM 0 HA ILE A 74 4.952 5.783 -2.986 1.00 0.00 H new ATOM 0 HB ILE A 74 4.673 4.838 -5.241 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.169 3.680 -3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.530 3.366 -3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.588 4.577 -6.785 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.221 6.288 -6.462 1.00 0.00 H new ATOM 0 HG23 ILE A 74 7.608 5.509 -5.664 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.365 1.532 -4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 74 4.996 2.343 -5.604 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.660 2.662 -6.149 1.00 0.00 H new ATOM 1115 N ALA A 75 7.177 5.523 -1.951 1.00 0.00 N ATOM 1116 CA ALA A 75 8.423 5.435 -1.213 1.00 0.00 C ATOM 1117 C ALA A 75 8.391 4.171 -0.379 1.00 0.00 C ATOM 1118 O ALA A 75 7.327 3.625 -0.153 1.00 0.00 O ATOM 1119 CB ALA A 75 8.610 6.659 -0.326 1.00 0.00 C ATOM 0 H ALA A 75 6.395 5.061 -1.487 1.00 0.00 H new ATOM 0 HA ALA A 75 9.264 5.402 -1.906 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.550 6.573 0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.629 7.557 -0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.785 6.724 0.383 1.00 0.00 H new ATOM 1125 N GLU A 76 9.527 3.676 0.039 1.00 0.00 N ATOM 1126 CA GLU A 76 9.540 2.481 0.863 1.00 0.00 C ATOM 1127 C GLU A 76 9.947 2.834 2.282 1.00 0.00 C ATOM 1128 O GLU A 76 11.150 2.745 2.597 1.00 0.00 O ATOM 1129 CB GLU A 76 10.480 1.418 0.275 1.00 0.00 C ATOM 1130 CG GLU A 76 9.936 -0.009 0.356 1.00 0.00 C ATOM 1131 CD GLU A 76 9.807 -0.525 1.780 1.00 0.00 C ATOM 1132 OE1 GLU A 76 10.795 -1.069 2.314 1.00 0.00 O ATOM 1133 OE2 GLU A 76 8.715 -0.395 2.373 1.00 0.00 O ATOM 1134 OXT GLU A 76 9.060 3.228 3.077 1.00 0.00 O ATOM 0 H GLU A 76 10.445 4.069 -0.170 1.00 0.00 H new ATOM 0 HA GLU A 76 8.534 2.061 0.881 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.678 1.661 -0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.434 1.462 0.800 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.959 -0.046 -0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.593 -0.673 -0.205 1.00 0.00 H new